#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hox n GLY 3 N 0.00 0.48 0.00 7.55 0.00 -1.26 -4.93 105.19 107.03 3hox n GLY 3 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3hox n GLY 3 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hox n GLN 4 N -2.71 0.00 -1.53 1.61 6.02 -1.26 -4.71 117.38 114.80 3hox n GLN 4 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 3hox n GLN 4 Cb 0.05 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.31 3hox n GLN 4 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 3hox n GLN 5 N 0.00 -3.57 -2.49 -1.09 7.27 -1.26 -4.89 117.38 111.35 3hox n GLN 5 Ca 0.00 2.73 -0.35 0.00 0.07 0.00 0.00 57.00 59.45 3hox n GLN 5 Cb 0.00 -3.39 -0.03 0.00 2.41 0.00 0.00 30.24 29.23 3hox n GLN 5 CO 0.00 0.00 0.00 -0.47 0.07 0.00 0.00 177.06 176.66 3hox s TYR 6 N -4.55 2.99 -0.02 3.69 5.04 -1.26 -5.06 117.35 118.18 3hox s TYR 6 Ca 0.00 1.58 0.02 0.00 -2.44 0.00 0.00 57.07 56.23 3hox s TYR 6 Cb 0.00 -3.13 0.01 0.00 0.35 0.00 0.00 41.96 39.19 3hox s TYR 6 CO 0.00 -0.94 -0.06 0.45 -1.34 0.00 0.00 175.55 173.66 3hox s SER 7 N -1.85 0.86 0.00 4.32 0.15 -1.26 -5.02 113.70 110.90 3hox s SER 7 Ca 0.66 -0.12 0.25 0.00 0.70 0.00 0.00 55.95 57.44 3hox s SER 7 Cb -0.19 -0.27 1.36 0.00 -1.71 0.00 0.00 66.02 65.21 3hox s SER 7 CO 0.23 0.01 1.85 -1.54 1.20 0.00 0.00 173.24 175.00 3hox n SER 8 N 3.48 0.00 -4.71 5.45 3.41 -1.26 -4.85 113.62 115.14 3hox n SER 8 Ca -0.20 -0.34 -0.42 0.00 -0.26 0.00 0.00 58.87 57.65 3hox n SER 8 Cb 0.54 -0.18 -0.03 0.00 -0.26 0.00 0.00 64.21 64.28 3hox n SER 8 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hox s ALA 9 N -2.36 3.66 0.26 7.33 0.00 -1.26 -4.95 121.76 124.45 3hox s ALA 9 Ca 0.29 1.18 -0.30 0.00 0.00 0.00 0.00 51.96 53.13 3hox s ALA 9 Cb 0.17 -3.59 -0.11 0.00 0.00 0.00 0.00 23.12 19.59 3hox s ALA 9 CO 0.35 -0.76 1.59 -1.25 0.00 0.00 0.00 175.76 175.69 3hox s PRO 10 N 1.46 4.15 -0.14 0.00 0.04 -1.26 -4.95 135.00 134.30 3hox s PRO 10 Ca 0.67 2.53 -0.06 0.00 0.04 0.00 0.00 61.00 64.18 3hox s PRO 10 Cb -0.39 -3.05 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 3hox s PRO 10 CO 0.30 -0.62 0.09 -1.17 0.04 0.00 0.00 177.00 175.64 3hox s LEU 11 N -0.11 4.02 0.32 -3.56 0.20 -1.26 -5.10 118.68 113.19 3hox s LEU 11 Ca 0.65 0.25 -0.01 0.00 0.69 0.00 0.00 54.13 55.71 3hox s LEU 11 Cb -0.47 -1.99 -0.01 0.00 -0.43 0.00 0.00 46.19 43.29 3hox s LEU 11 CO 0.44 0.30 0.40 -0.60 -0.29 0.00 0.00 176.35 176.59 3hox s ARG 12 N -0.38 1.77 0.50 1.98 3.52 -1.26 -5.16 118.95 119.93 3hox s ARG 12 Ca 0.10 -1.75 -0.05 0.00 -0.13 0.00 0.00 55.73 53.90 3hox s ARG 12 Cb -0.12 0.40 -0.03 0.00 -1.56 0.00 0.00 34.95 33.65 3hox s ARG 12 CO 0.02 -0.71 0.80 0.95 -0.81 0.00 0.00 175.30 175.55 3hox s THR 13 N -3.33 4.61 -0.19 4.11 -4.23 -1.26 -5.05 115.64 110.30 3hox s THR 13 Ca 0.33 0.11 -0.18 0.00 -1.18 0.00 0.00 61.69 60.76 3hox s THR 13 Cb 0.01 -3.76 -0.03 0.00 1.34 0.00 0.00 72.50 70.05 3hox s THR 13 CO 0.20 -0.74 0.51 -0.69 -0.54 0.00 0.00 174.62 173.36 3hox s VAL 14 N -2.77 5.12 -0.24 2.29 1.01 -1.26 -4.94 120.40 119.60 3hox s VAL 14 Ca 0.49 0.94 -0.01 0.00 0.00 0.00 0.00 61.98 63.40 3hox s VAL 14 Cb -0.10 -3.83 -0.18 0.00 0.00 0.00 0.00 36.38 32.27 3hox s VAL 14 CO 0.44 0.20 -0.16 0.29 0.00 0.00 0.00 175.10 175.87 3hox n LYS 15 N 4.63 0.66 -4.19 2.72 4.76 -1.26 -5.00 118.16 120.48 3hox n LYS 15 Ca -0.05 0.18 -0.11 0.00 -2.87 0.00 0.00 58.31 55.46 3hox n LYS 15 Cb 0.51 -1.54 -0.10 0.00 -1.84 0.00 0.00 35.03 32.05 3hox n LYS 15 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3hox s GLU 16 N -2.52 0.90 -0.19 1.97 2.02 -1.26 -4.18 118.70 115.44 3hox s GLU 16 Ca -0.34 -1.38 -0.00 0.00 0.02 0.00 0.00 54.97 53.27 3hox s GLU 16 Cb 0.09 -0.24 0.05 0.00 0.10 0.00 0.00 34.13 34.13 3hox s GLU 16 CO 0.61 -0.04 -0.04 0.08 0.02 0.00 0.00 175.26 175.89 3hox s VAL 17 N -3.62 1.19 -0.51 2.63 1.01 -1.03 -4.95 120.40 115.12 3hox s VAL 17 Ca 0.14 -0.81 -0.20 0.00 0.00 0.00 0.00 61.98 61.12 3hox s VAL 17 Cb 0.05 -1.42 0.05 0.00 0.00 0.00 0.00 36.38 35.06 3hox s VAL 17 CO -0.03 0.03 0.67 -1.58 0.00 0.00 0.00 175.10 174.19 3hox s GLN 18 N 1.58 3.17 0.01 2.72 -0.44 -1.26 -1.04 119.66 124.39 3hox s GLN 18 Ca -0.01 -0.74 -0.27 0.00 -2.50 0.00 0.00 55.36 51.83 3hox s GLN 18 Cb -0.17 -4.08 -0.04 0.00 -1.64 0.00 0.00 33.01 27.09 3hox s GLN 18 CO -0.07 -1.24 0.85 -0.06 0.50 0.00 0.00 175.29 175.28 3hox s PHE 19 N 2.84 3.67 0.00 1.67 0.40 -0.25 -5.00 117.98 121.31 3hox s PHE 19 Ca 0.18 1.54 0.00 0.00 -0.60 0.00 0.00 56.93 58.05 3hox s PHE 19 Cb -0.18 -2.96 0.00 0.00 0.51 0.00 0.00 43.02 40.39 3hox s PHE 19 CO 0.14 0.10 0.00 0.41 0.70 0.00 0.00 175.22 176.57 3hox n GLY 20 N 2.77 5.49 3.23 4.36 0.00 -1.26 -3.60 105.19 116.17 3hox n GLY 20 Ca 0.02 -1.12 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 3hox n GLY 20 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hox s LEU 21 N 0.00 0.46 0.25 0.99 1.43 -0.15 -4.21 118.68 117.44 3hox s LEU 21 Ca 0.00 0.73 -0.30 0.00 -1.03 0.00 0.00 54.13 53.53 3hox s LEU 21 Cb 0.00 1.18 -0.10 0.00 0.03 0.00 0.00 46.19 47.30 3hox s LEU 21 CO 0.00 -0.14 1.37 -0.36 0.23 0.00 0.00 176.35 177.44 3hox s PHE 22 N 0.59 3.11 -0.02 0.29 0.40 -1.26 -4.73 117.98 116.36 3hox s PHE 22 Ca -0.03 1.17 -0.17 0.00 -0.60 0.00 0.00 56.93 57.31 3hox s PHE 22 Cb -0.05 -3.71 -0.05 0.00 0.51 0.00 0.00 43.02 39.71 3hox s PHE 22 CO -0.04 -2.22 0.46 -1.54 0.70 0.00 0.00 175.22 172.58 3hox s SER 23 N 0.18 6.83 0.56 1.36 1.04 -1.26 -4.86 113.70 117.54 3hox s SER 23 Ca 0.56 0.98 0.30 0.00 0.48 0.00 0.00 55.95 58.28 3hox s SER 23 Cb -0.40 -2.28 1.46 0.00 0.10 0.00 0.00 66.02 64.90 3hox s SER 23 CO 0.43 0.22 1.88 1.55 0.98 0.00 0.00 173.24 178.31 3hox h PRO 24 N 5.24 0.00 0.64 4.02 0.13 -1.94 -0.88 132.00 139.21 3hox h PRO 24 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 3hox h PRO 24 Cb 1.21 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.34 3hox h PRO 24 CO 0.66 0.00 -0.31 0.93 -0.23 0.00 0.00 178.00 179.05 3hox h GLU 25 N 0.00 -0.83 -0.59 0.86 3.07 -1.98 -2.41 114.58 112.70 3hox h GLU 25 Ca 0.32 0.06 0.11 0.00 -0.50 0.00 0.00 59.36 59.35 3hox h GLU 25 Cb 1.47 0.19 -0.11 0.00 -0.84 0.00 0.00 28.75 29.45 3hox h GLU 25 CO -0.00 -0.55 -0.29 1.49 -1.40 0.00 0.00 179.01 178.26 3hox h GLU 26 N -0.92 -0.12 -0.71 2.33 4.81 -1.58 0.11 114.58 118.50 3hox h GLU 26 Ca -0.09 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.23 3hox h GLU 26 Cb 0.66 0.03 -0.11 0.00 0.63 0.00 0.00 28.75 29.96 3hox h GLU 26 CO 0.14 -0.08 -0.54 0.28 -0.73 0.00 0.00 179.01 178.08 3hox h VAL 27 N -0.13 0.02 -0.37 0.32 2.07 -1.34 0.38 116.25 117.19 3hox h VAL 27 Ca 0.25 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.82 3hox h VAL 27 Cb 0.53 0.02 -0.08 0.00 -1.52 0.00 0.00 31.29 30.24 3hox h VAL 27 CO -0.67 0.00 -0.54 0.03 0.02 0.00 0.00 177.57 176.41 3hox h ARG 28 N -0.19 -0.40 -0.48 1.57 3.08 -0.31 -2.33 114.38 115.32 3hox h ARG 28 Ca 0.15 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.27 3hox h ARG 28 Cb 0.52 0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.60 3hox h ARG 28 CO -0.77 -0.27 -0.28 0.00 -1.07 0.00 0.00 179.97 177.57 3hox n ALA 29 N -3.07 -0.31 -0.03 0.04 0.00 0.12 -2.19 120.51 115.07 3hox n ALA 29 Ca -0.04 0.41 -0.08 0.00 0.00 0.00 0.00 53.44 53.73 3hox n ALA 29 Cb 0.35 0.12 -0.02 0.00 0.00 0.00 0.00 19.45 19.89 3hox n ALA 29 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3hox h ILE 30 N 0.00 0.67 -0.98 0.00 2.04 -0.83 -3.45 117.51 114.95 3hox h ILE 30 Ca 0.08 0.00 -0.79 0.00 1.00 0.00 0.00 64.86 65.15 3hox h ILE 30 Cb 0.20 0.67 0.04 0.00 -0.74 0.00 0.00 36.82 36.99 3hox h ILE 30 CO -0.45 0.00 0.13 -0.24 0.00 0.00 0.00 178.15 177.59 3hox n SER 31 N -5.26 0.13 -1.00 1.72 2.88 -0.91 -4.86 113.62 106.32 3hox n SER 31 Ca -0.02 1.15 0.11 0.00 -1.33 0.00 0.00 58.87 58.77 3hox n SER 31 Cb 0.18 -0.90 0.17 0.00 -0.75 0.00 0.00 64.21 62.91 3hox n SER 31 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3hox n VAL 32 N 1.77 0.40 -3.70 2.46 0.24 0.11 -4.94 118.33 114.67 3hox n VAL 32 Ca 0.21 -0.70 -0.14 0.00 -2.04 0.00 0.00 64.34 61.67 3hox n VAL 32 Cb 0.06 1.07 -0.08 0.00 -1.47 0.00 0.00 33.84 33.41 3hox n VAL 32 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hox s ALA 33 N -1.47 -1.08 -0.03 2.33 0.00 -1.26 -4.64 121.76 115.61 3hox s ALA 33 Ca 0.33 0.83 -0.22 0.00 0.00 0.00 0.00 51.96 52.89 3hox s ALA 33 Cb 0.20 -0.21 -0.25 0.00 0.00 0.00 0.00 23.12 22.86 3hox s ALA 33 CO 0.28 -0.26 1.03 0.87 0.00 0.00 0.00 175.76 177.68 3hox h LYS 34 N 4.23 0.29 -5.32 0.00 6.56 -1.86 -2.15 116.57 118.32 3hox h LYS 34 Ca -0.28 -0.33 0.00 0.00 -1.06 0.00 0.00 60.65 58.98 3hox h LYS 34 Cb 1.17 0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 32.92 3hox h LYS 34 CO 0.34 1.05 -1.04 -0.89 -2.06 0.00 0.00 179.45 176.85 3hox n ILE 35 N -4.33-10.55 0.00 1.86 5.41 -1.22 -4.32 119.36 106.20 3hox n ILE 35 Ca -0.11 1.72 0.00 0.00 1.00 0.00 0.00 62.75 65.37 3hox n ILE 35 Cb 0.62 -6.28 0.00 0.00 -0.71 0.00 0.00 39.64 33.27 3hox n ILE 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3hox n ARG 36 N 0.91 2.69 -4.38 0.38 1.74 -1.09 -4.71 116.66 112.20 3hox n ARG 36 Ca -0.04 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.70 3hox n ARG 36 Cb 0.13 -0.74 -0.11 0.00 -1.02 0.00 0.00 32.46 30.72 3hox n ARG 36 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3hox s PHE 37 N -1.36 3.06 -1.49 -1.55 0.08 -1.25 -5.00 117.98 110.47 3hox s PHE 37 Ca 0.00 -0.15 0.22 0.00 0.12 0.00 0.00 56.93 57.12 3hox s PHE 37 Cb 0.00 -1.92 1.14 0.00 -0.57 0.00 0.00 43.02 41.67 3hox s PHE 37 CO 0.00 0.10 1.71 -0.35 -0.10 0.00 0.00 175.22 176.58 3hox n PRO 38 N 3.18 0.36 -1.88 0.24 -0.04 -1.26 -2.99 135.00 132.60 3hox n PRO 38 Ca -0.18 0.07 -0.34 0.00 -0.04 0.00 0.00 63.50 63.01 3hox n PRO 38 Cb 0.53 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.53 3hox n PRO 38 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3hox s GLU 39 N -2.51 2.85 -0.02 0.54 8.01 -1.26 -4.72 118.70 121.60 3hox s GLU 39 Ca 0.22 1.62 -0.11 0.00 0.01 0.00 0.00 54.97 56.71 3hox s GLU 39 Cb 0.15 -1.94 -0.06 0.00 -4.31 0.00 0.00 34.13 27.97 3hox s GLU 39 CO 0.33 -1.25 0.58 1.15 0.01 0.00 0.00 175.26 176.08 3hox h THR 40 N 0.46 0.00 0.00 3.63 2.02 -1.88 -3.30 112.91 113.84 3hox h THR 40 Ca -0.49 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.29 3hox h THR 40 Cb 1.27 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 3hox h THR 40 CO 0.54 0.00 0.00 1.15 0.37 0.00 0.00 175.52 177.58 3hox n MET 41 N -4.17 0.00 -3.30 6.66 0.00 -1.26 -4.02 117.12 111.02 3hox n MET 41 Ca -0.05 0.00 -0.27 0.00 0.00 0.00 0.00 57.70 57.39 3hox n MET 41 Cb 0.16 0.00 0.03 0.00 0.00 0.00 0.00 33.22 33.40 3hox n MET 41 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 3hox n ASP 42 N 0.00 -6.26 -4.50 3.17 8.00 -1.17 -4.37 116.55 111.42 3hox n ASP 42 Ca 0.00 0.12 -0.12 0.00 0.71 0.00 0.00 54.79 55.50 3hox n ASP 42 Cb 0.00 -2.60 -0.10 0.00 -0.02 0.00 0.00 41.12 38.40 3hox n ASP 42 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 3hox n GLU 43 N 0.00 0.09 -2.99 -1.24 0.28 -0.94 -2.51 120.64 113.33 3hox n GLU 43 Ca -0.03 -1.44 -0.04 0.00 -0.16 0.00 0.00 57.16 55.49 3hox n GLU 43 Cb 0.59 -3.53 0.00 0.00 1.43 0.00 0.00 31.44 29.93 3hox n GLU 43 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 3hox n THR 44 N 8.47-10.43 -0.51 3.84 -1.04 -1.26 -3.26 114.28 110.10 3hox n THR 44 Ca 0.36 0.22 0.00 0.00 -2.04 0.00 0.00 64.05 62.59 3hox n THR 44 Cb 0.47 -7.01 0.00 0.00 -1.82 0.00 0.00 70.33 61.97 3hox n THR 44 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hox n GLN 45 N -1.18 0.00 -3.07 -2.82 6.02 -1.05 -4.95 117.38 110.33 3hox n GLN 45 Ca 0.04 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.63 3hox n GLN 45 Cb 0.49 -4.12 -0.06 0.00 1.02 0.00 0.00 30.24 27.57 3hox n GLN 45 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3hox s THR 46 N -1.45 4.97 -0.47 5.09 2.01 -1.20 -4.94 115.64 119.65 3hox s THR 46 Ca 0.00 1.23 -0.34 0.00 0.31 0.00 0.00 61.69 62.90 3hox s THR 46 Cb 0.00 -3.97 -0.13 0.00 0.01 0.00 0.00 72.50 68.41 3hox s THR 46 CO 0.00 0.04 2.30 0.54 -0.69 0.00 0.00 174.62 176.81 3hox n ARG 47 N 5.50 0.85 -2.42 4.92 1.74 -1.26 -2.20 116.66 123.78 3hox n ARG 47 Ca 0.00 0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 3hox n ARG 47 Cb 0.49 -2.41 0.00 0.00 -1.02 0.00 0.00 32.46 29.52 3hox n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hox n ALA 48 N 10.72 0.00 -3.56 7.54 0.00 -1.26 -4.94 120.51 129.01 3hox n ALA 48 Ca 0.45 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.68 3hox n ALA 48 Cb 0.23 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.52 3hox n ALA 48 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3hox s LYS 49 N -0.60 1.05 0.24 0.00 1.02 -1.26 -3.05 119.74 117.14 3hox s LYS 49 Ca 0.00 -0.19 -0.30 0.00 0.02 0.00 0.00 55.97 55.50 3hox s LYS 49 Cb 0.00 -0.98 -0.09 0.00 -0.52 0.00 0.00 37.83 36.25 3hox s LYS 49 CO 0.00 -0.04 0.99 0.42 -0.92 0.00 0.00 175.35 175.80 3hox s ILE 50 N 0.80 3.93 -1.37 2.17 1.01 -1.26 -4.80 121.20 121.68 3hox s ILE 50 Ca -0.12 1.90 0.00 0.00 0.00 0.00 0.00 60.65 62.42 3hox s ILE 50 Cb -0.15 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.12 3hox s ILE 50 CO 0.01 0.44 0.00 0.61 0.00 0.00 0.00 174.94 176.00 3hox n GLY 51 N 1.49 0.00 0.03 6.18 0.00 -1.26 -3.49 105.19 108.14 3hox n GLY 51 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 3hox n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hox n GLY 52 N 0.06 -0.64 3.55 -0.02 0.00 -1.26 -4.51 105.19 102.37 3hox n GLY 52 Ca 0.00 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 3hox n GLY 52 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hox s LEU 53 N -6.15 2.80 0.00 0.99 0.20 -1.16 -2.66 118.68 112.70 3hox s LEU 53 Ca -0.08 -1.01 0.00 0.00 0.69 0.00 0.00 54.13 53.72 3hox s LEU 53 Cb 0.01 -1.22 0.00 0.00 -0.43 0.00 0.00 46.19 44.56 3hox s LEU 53 CO 0.13 -0.09 0.00 -0.46 -0.29 0.00 0.00 176.35 175.64 3hox n ASN 54 N -0.78 -0.27 -2.04 3.68 0.23 -1.26 -4.28 115.26 110.54 3hox n ASN 54 Ca -0.05 0.08 -0.06 0.00 -0.53 0.00 0.00 54.58 54.02 3hox n ASN 54 Cb 0.61 -0.13 0.03 0.00 -2.08 0.00 0.00 39.78 38.21 3hox n ASN 54 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 3hox n ASP 55 N 1.38 -2.80 -0.85 0.53 2.03 -1.26 -4.69 116.55 110.88 3hox n ASP 55 Ca 0.00 -0.26 0.04 0.00 0.52 0.00 0.00 54.79 55.10 3hox n ASP 55 Cb 0.00 -2.31 0.16 0.00 -0.72 0.00 0.00 41.12 38.25 3hox n ASP 55 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3hox n PRO 56 N -2.19 2.23 0.00 -0.67 -0.02 -1.26 -4.55 135.00 128.54 3hox n PRO 56 Ca -0.07 -1.28 0.00 0.00 -2.02 0.00 0.00 63.50 60.12 3hox n PRO 56 Cb 0.56 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 3hox n PRO 56 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hox n ARG 57 N 0.37 0.00 0.00 -0.52 1.74 -1.26 -4.77 116.66 112.22 3hox n ARG 57 Ca 0.12 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 3hox n ARG 57 Cb 0.47 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.91 3hox n ARG 57 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3hox n LEU 58 N 0.00 0.00 0.00 0.55 4.77 -1.26 -4.33 117.00 116.73 3hox n LEU 58 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3hox n LEU 58 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3hox n LEU 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 3hox n GLY 59 N 0.00 -3.49 3.38 -0.72 0.00 -1.26 -4.70 105.19 98.40 3hox n GLY 59 Ca 0.00 -1.24 -0.19 0.00 0.00 0.00 0.00 46.02 44.59 3hox n GLY 59 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hox s SER 60 N -1.94 2.10 0.00 1.61 0.15 -1.26 -4.47 113.70 109.90 3hox s SER 60 Ca 0.00 -1.26 0.00 0.00 0.70 0.00 0.00 55.95 55.39 3hox s SER 60 Cb 0.00 -0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.27 3hox s SER 60 CO 0.00 -0.51 0.00 -0.38 1.20 0.00 0.00 173.24 173.55 3hox n ILE 61 N -0.51 0.00 0.00 6.45 5.41 -1.26 -4.86 119.36 124.58 3hox n ILE 61 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.71 3hox n ILE 61 Cb 0.64 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.57 3hox n ILE 61 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 3hox n ASP 62 N 0.00 0.00 -0.40 4.38 -0.08 -1.26 -3.02 116.55 116.16 3hox n ASP 62 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3hox n ASP 62 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 3hox n ASP 62 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3hox n ARG 63 N 0.00 -0.03 -3.66 -0.67 1.74 -1.26 -4.74 116.66 108.04 3hox n ARG 63 Ca 0.00 -0.02 -0.29 0.00 -0.77 0.00 0.00 57.85 56.78 3hox n ARG 63 Cb 0.00 0.03 -0.15 0.00 -1.02 0.00 0.00 32.46 31.31 3hox n ARG 63 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3hox s ASN 64 N -0.38 3.57 0.38 0.55 2.47 -1.17 -5.00 114.94 115.35 3hox s ASN 64 Ca 0.00 -1.31 0.23 0.00 0.42 0.00 0.00 52.86 52.20 3hox s ASN 64 Cb 0.00 -0.61 1.35 0.00 -1.45 0.00 0.00 41.25 40.54 3hox s ASN 64 CO 0.00 -0.40 1.54 0.18 -3.72 0.00 0.00 177.10 174.70 3hox n LEU 65 N 5.04 0.31 -4.34 3.21 4.77 -1.26 -4.49 117.00 120.25 3hox n LEU 65 Ca -0.05 1.57 -0.42 0.00 -0.03 0.00 0.00 56.01 57.08 3hox n LEU 65 Cb 0.43 -0.77 -0.00 0.00 -2.33 0.00 0.00 43.42 40.76 3hox n LEU 65 CO 0.09 -1.75 -0.30 1.17 -1.33 0.00 0.00 177.39 175.27 3hox n LYS 66 N -5.10 0.14 0.00 3.23 0.00 -1.26 -3.26 118.16 111.90 3hox n LYS 66 Ca 0.38 0.05 0.00 0.00 0.00 0.00 0.00 58.31 58.74 3hox n LYS 66 Cb 1.32 -1.13 0.00 0.00 0.00 0.00 0.00 35.03 35.22 3hox n LYS 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3hox n GLN 68 N 0.00 -1.58 0.00 0.00 -0.00 -1.26 -3.12 117.38 111.42 3hox n GLN 68 Ca 0.00 1.21 0.00 0.00 -0.00 0.00 0.00 57.00 58.21 3hox n GLN 68 Cb 0.00 -3.79 0.00 0.00 -0.00 0.00 0.00 30.24 26.45 3hox n GLN 68 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 3hox n THR 69 N -1.86 0.00 -0.10 -0.39 -1.04 -1.26 -4.52 114.28 105.11 3hox n THR 69 Ca -0.14 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 61.95 3hox n THR 69 Cb 0.61 0.00 0.12 0.00 -1.82 0.00 0.00 70.33 69.24 3hox n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hox n GLN 71 N -2.44 0.00 0.00 0.00 1.13 -1.25 -4.78 117.38 110.04 3hox n GLN 71 Ca 0.07 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 3hox n GLN 71 Cb 0.30 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.65 3hox n GLN 71 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3hox n GLU 72 N 14.00 0.00 -2.12 -1.09 -0.58 -1.26 -4.66 120.64 124.93 3hox n GLU 72 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3hox n GLU 72 Cb 0.00 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.38 3hox n GLU 72 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hox n GLY 73 N -0.09 -5.20 0.00 0.62 0.00 -1.20 -4.40 105.19 94.92 3hox n GLY 73 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3hox n GLY 73 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3hox n MET 74 N 1.96 0.00 -3.14 1.61 2.81 -1.26 -4.06 117.12 115.04 3hox n MET 74 Ca 0.00 0.00 -0.45 0.00 -1.81 0.00 0.00 57.70 55.44 3hox n MET 74 Cb 0.00 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.47 3hox n MET 74 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 3hox s ASN 75 N 0.00 6.26 0.00 7.83 3.04 -1.26 -3.99 114.94 126.82 3hox s ASN 75 Ca 0.00 -1.61 0.00 0.00 0.04 0.00 0.00 52.86 51.29 3hox s ASN 75 Cb 0.00 -2.29 0.00 0.00 -1.54 0.00 0.00 41.25 37.42 3hox s ASN 75 CO 0.00 -1.04 0.00 1.21 -3.04 0.00 0.00 177.10 174.23 3hox n GLU 76 N 6.05 0.00 -1.79 0.43 4.07 -1.26 -4.92 120.64 123.22 3hox n GLU 76 Ca -0.06 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.75 3hox n GLU 76 Cb 0.43 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.76 3hox n GLU 76 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3hox n PRO 78 N 8.97 -3.16 -0.38 0.00 -0.04 -1.26 -4.76 135.00 134.38 3hox n PRO 78 Ca 0.36 -1.14 -0.29 0.00 -0.04 0.00 0.00 63.50 62.39 3hox n PRO 78 Cb 0.49 -1.22 0.27 0.00 -0.04 0.00 0.00 33.50 33.00 3hox n PRO 78 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hox n GLY 79 N -3.22 -2.83 2.61 0.55 0.00 -1.26 -4.90 105.19 96.14 3hox n GLY 79 Ca 0.10 -1.37 -0.24 0.00 0.00 0.00 0.00 46.02 44.51 3hox n GLY 79 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hox s HIS 80 N -2.27 0.14 0.43 1.61 3.76 -1.26 -4.92 115.29 112.78 3hox s HIS 80 Ca 0.67 -0.92 -0.24 0.00 -0.15 0.00 0.00 55.06 54.42 3hox s HIS 80 Cb -0.20 -0.71 -0.11 0.00 1.11 0.00 0.00 32.58 32.67 3hox s HIS 80 CO 0.62 -0.88 0.90 1.19 -0.85 0.00 0.00 174.74 175.72 3hox n PHE 81 N 4.74 0.76 -4.48 1.40 3.01 -1.26 -4.30 117.46 117.32 3hox n PHE 81 Ca 0.03 0.57 -0.24 0.00 1.01 0.00 0.00 57.45 58.82 3hox n PHE 81 Cb 0.42 -2.17 -0.09 0.00 -0.01 0.00 0.00 39.48 37.64 3hox n PHE 81 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3hox s GLY 82 N -0.82 2.44 0.09 1.37 0.00 -1.13 -0.71 107.32 108.55 3hox s GLY 82 Ca 0.64 -1.45 0.01 0.00 0.00 0.00 0.00 44.72 43.93 3hox s GLY 82 CO 0.56 -1.80 0.05 -2.39 0.00 0.00 0.00 173.10 169.52 3hox n HIS 83 N -0.83 -0.07 -3.38 1.90 1.44 -0.81 0.20 115.22 113.66 3hox n HIS 83 Ca -0.05 -0.65 0.02 0.00 -2.01 0.00 0.00 57.72 55.03 3hox n HIS 83 Cb 0.65 0.03 -0.02 0.00 0.12 0.00 0.00 29.99 30.77 3hox n HIS 83 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3hox s ILE 84 N -2.11 -0.97 -0.68 0.61 1.01 -0.75 -4.16 121.20 114.15 3hox s ILE 84 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 60.65 60.45 3hox s ILE 84 Cb 0.00 -1.00 0.01 0.00 0.01 0.00 0.00 42.46 41.48 3hox s ILE 84 CO 0.05 0.00 1.51 -1.81 0.00 0.00 0.00 174.94 174.69 3hox s ASP 85 N 2.87 5.82 1.10 3.58 1.01 -1.26 -0.38 116.67 129.41 3hox s ASP 85 Ca 0.08 -0.11 -0.17 0.00 0.71 0.00 0.00 52.55 53.06 3hox s ASP 85 Cb -0.13 -2.55 0.17 0.00 1.01 0.00 0.00 42.92 41.42 3hox s ASP 85 CO -0.20 -2.03 0.26 0.18 0.21 0.00 0.00 175.17 173.59 3hox n LEU 86 N 10.66 -1.60 -0.08 1.23 4.77 -0.87 -4.96 117.00 126.15 3hox n LEU 86 Ca 0.10 -0.35 -0.11 0.00 -0.03 0.00 0.00 56.01 55.62 3hox n LEU 86 Cb 0.50 -0.86 -0.15 0.00 -2.33 0.00 0.00 43.42 40.58 3hox n LEU 86 CO 0.71 -3.34 -1.03 0.00 -1.33 0.00 0.00 177.39 172.40 3hox n ALA 87 N -4.59 1.46 -3.10 -1.18 0.00 -1.26 -4.99 120.51 106.85 3hox n ALA 87 Ca 0.05 -1.14 -0.12 0.00 0.00 0.00 0.00 53.44 52.22 3hox n ALA 87 Cb 0.48 -0.34 -0.07 0.00 0.00 0.00 0.00 19.45 19.52 3hox n ALA 87 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3hox s LYS 88 N -2.52 0.89 0.50 0.00 1.02 -1.26 -4.94 119.74 113.43 3hox s LYS 88 Ca -0.13 -0.43 -0.24 0.00 0.02 0.00 0.00 55.97 55.20 3hox s LYS 88 Cb 0.07 0.39 -0.07 0.00 -0.52 0.00 0.00 37.83 37.71 3hox s LYS 88 CO 0.79 -0.30 1.41 -0.35 -0.92 0.00 0.00 175.35 175.99 3hox n PRO 89 N 0.49 2.03 -4.15 -1.68 -0.04 -1.26 -4.89 135.00 125.49 3hox n PRO 89 Ca -0.18 0.73 -0.16 0.00 -0.04 0.00 0.00 63.50 63.84 3hox n PRO 89 Cb 0.60 -2.62 -0.12 0.00 -0.04 0.00 0.00 33.50 31.31 3hox n PRO 89 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3hox s VAL 90 N -1.23 0.87 0.86 0.52 1.01 -0.97 -4.77 120.40 116.69 3hox s VAL 90 Ca 0.66 -1.15 -0.12 0.00 0.00 0.00 0.00 61.98 61.37 3hox s VAL 90 Cb -0.43 -0.86 0.11 0.00 0.00 0.00 0.00 36.38 35.19 3hox s VAL 90 CO 0.54 -0.25 1.11 -0.36 0.00 0.00 0.00 175.10 176.13 3hox s PHE 91 N -1.23 2.60 -0.43 5.22 0.40 -1.26 -0.78 117.98 122.49 3hox s PHE 91 Ca -0.05 1.08 -0.08 0.00 -0.60 0.00 0.00 56.93 57.29 3hox s PHE 91 Cb -0.10 -3.21 0.10 0.00 0.51 0.00 0.00 43.02 40.33 3hox s PHE 91 CO 0.01 -2.12 0.27 -1.58 0.70 0.00 0.00 175.22 172.51 3hox s HIS 92 N -3.13 3.42 0.03 0.36 5.65 -1.22 -4.66 115.29 115.74 3hox s HIS 92 Ca 0.62 -1.84 0.00 0.00 0.25 0.00 0.00 55.06 54.10 3hox s HIS 92 Cb -0.15 -3.19 0.08 0.00 -1.18 0.00 0.00 32.58 28.14 3hox s HIS 92 CO 0.55 -0.93 0.16 0.28 -0.65 0.00 0.00 174.74 174.15 3hox n VAL 93 N 4.84 -0.04 -0.06 0.89 0.31 -1.26 0.11 118.33 123.12 3hox n VAL 93 Ca -0.08 0.22 -0.14 0.00 -0.01 0.00 0.00 64.34 64.33 3hox n VAL 93 Cb 0.42 -0.32 -0.03 0.00 -0.91 0.00 0.00 33.84 32.99 3hox n VAL 93 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3hox h GLY 94 N 0.00 0.91 1.67 2.92 0.00 -1.93 -3.30 103.07 103.33 3hox h GLY 94 Ca 0.06 -1.07 -0.03 0.00 0.00 0.00 0.00 47.33 46.29 3hox h GLY 94 CO -0.09 0.96 -0.44 0.74 0.00 0.00 0.00 176.54 177.71 3hox h PHE 95 N 0.63 0.00 -0.26 5.60 0.05 0.46 -3.37 116.94 120.05 3hox h PHE 95 Ca 0.01 0.00 0.04 0.00 3.82 0.00 0.00 57.97 61.83 3hox h PHE 95 Cb 1.17 0.00 -0.04 0.00 2.00 0.00 0.00 35.95 39.08 3hox h PHE 95 CO 0.07 0.13 -0.12 -0.89 -0.18 0.00 0.00 178.31 177.32 3hox n ILE 96 N -3.00 -0.15 -0.16 -0.55 5.41 -0.94 0.17 119.36 120.15 3hox n ILE 96 Ca 0.02 0.62 -0.08 0.00 1.00 0.00 0.00 62.75 64.31 3hox n ILE 96 Cb 0.59 -0.80 -0.02 0.00 -0.71 0.00 0.00 39.64 38.70 3hox n ILE 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hox h ALA 97 N 0.30 -0.25 -0.26 -1.39 0.00 -1.83 -1.12 119.26 114.71 3hox h ALA 97 Ca 0.08 0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.93 3hox h ALA 97 Cb 0.14 0.83 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3hox h ALA 97 CO -0.26 -0.77 -0.48 -0.22 0.00 0.00 0.00 179.25 177.51 3hox h LYS 98 N -0.25 0.80 -0.72 0.00 3.64 0.15 -1.99 116.57 118.19 3hox h LYS 98 Ca 0.18 -0.50 0.16 0.00 -1.27 0.00 0.00 60.65 59.21 3hox h LYS 98 Cb 0.56 0.06 -0.13 0.00 -0.41 0.00 0.00 32.23 32.31 3hox h LYS 98 CO -0.62 1.13 -0.06 0.82 -2.27 0.00 0.00 179.45 178.45 3hox h ILE 99 N 0.55 0.34 0.83 2.00 2.04 -0.31 0.65 117.51 123.60 3hox h ILE 99 Ca 0.01 -0.02 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 3hox h ILE 99 Cb 1.09 0.27 0.01 0.00 -0.74 0.00 0.00 36.82 37.45 3hox h ILE 99 CO 0.11 0.01 -0.40 0.50 0.00 0.00 0.00 178.15 178.37 3hox h LYS 100 N 0.06 -1.07 -0.16 2.37 3.64 -1.14 -2.82 116.57 117.46 3hox h LYS 100 Ca 0.38 0.07 0.05 0.00 -1.27 0.00 0.00 60.65 59.88 3hox h LYS 100 Cb 0.64 0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 3hox h LYS 100 CO -0.67 -0.71 0.27 0.87 -2.27 0.00 0.00 179.45 176.95 3hox h LYS 101 N -1.25 0.00 -0.07 1.90 1.57 -0.41 0.13 116.57 118.43 3hox h LYS 101 Ca -0.11 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.56 3hox h LYS 101 Cb 0.86 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.17 3hox h LYS 101 CO 0.19 0.00 -0.38 0.28 -0.57 0.00 0.00 179.45 178.96 3hox h VAL 102 N 0.00 1.41 -0.26 0.50 2.07 0.35 -3.20 116.25 117.12 3hox h VAL 102 Ca 0.08 -1.78 0.06 0.00 0.82 0.00 0.00 66.70 65.88 3hox h VAL 102 Cb 0.63 2.33 -0.07 0.00 -1.52 0.00 0.00 31.29 32.66 3hox h VAL 102 CO -0.00 0.52 -0.19 0.00 0.02 0.00 0.00 177.57 177.92 3hox n GLU 104 N -5.35 0.18 0.00 0.00 1.02 -0.59 -1.14 120.64 114.76 3hox n GLU 104 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3hox n GLU 104 Cb 0.26 -1.04 0.00 0.00 -0.02 0.00 0.00 31.44 30.64 3hox n GLU 104 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hox s VAL 106 N -1.49 3.55 -0.20 0.00 1.01 -0.29 -2.33 120.40 120.66 3hox s VAL 106 Ca 0.00 -1.70 -0.15 0.00 0.00 0.00 0.00 61.98 60.13 3hox s VAL 106 Cb 0.00 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 3hox s VAL 106 CO 0.00 -0.25 0.37 0.00 0.00 0.00 0.00 175.10 175.22 3hox s MET 108 N 1.18 -0.35 0.00 0.00 1.00 -1.26 0.14 119.30 120.02 3hox s MET 108 Ca 0.18 0.81 0.00 0.00 0.00 0.00 0.00 55.69 56.68 3hox s MET 108 Cb -0.14 -1.62 0.00 0.00 0.00 0.00 0.00 34.83 33.06 3hox s MET 108 CO 0.07 -3.33 0.00 1.58 0.00 0.00 0.00 175.02 173.34 3hox n HIS 109 N -4.64 0.00 -0.09 -0.03 -0.00 -1.26 -4.21 115.22 104.99 3hox n HIS 109 Ca 0.04 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.67 3hox n HIS 109 Cb 0.55 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 30.41 3hox n HIS 109 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3hox n GLY 111 N 2.01 0.70 3.44 0.00 0.00 0.12 -4.79 105.19 106.67 3hox n GLY 111 Ca -0.28 -0.62 -0.27 0.00 0.00 0.00 0.00 46.02 44.85 3hox n GLY 111 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hox s LYS 112 N -4.94 1.60 0.74 1.61 2.20 -1.25 -3.73 119.74 115.97 3hox s LYS 112 Ca 0.05 -1.47 -0.16 0.00 -0.36 0.00 0.00 55.97 54.03 3hox s LYS 112 Cb -0.02 -1.90 0.01 0.00 -1.51 0.00 0.00 37.83 34.41 3hox s LYS 112 CO 0.06 0.41 0.92 1.28 -0.36 0.00 0.00 175.35 177.66 3hox n LEU 113 N 0.27 3.17 -0.46 5.43 4.77 -1.26 -1.18 117.00 127.74 3hox n LEU 113 Ca -0.13 0.64 0.13 0.00 -0.03 0.00 0.00 56.01 56.62 3hox n LEU 113 Cb 0.56 -1.39 0.49 0.00 -2.33 0.00 0.00 43.42 40.75 3hox n LEU 113 CO 0.30 -2.18 0.84 0.18 -1.33 0.00 0.00 177.39 175.20 3hox n LEU 114 N -1.66 1.42 -3.66 2.23 4.77 -0.98 -4.73 117.00 114.39 3hox n LEU 114 Ca 0.12 -0.53 -0.07 0.00 -0.03 0.00 0.00 56.01 55.50 3hox n LEU 114 Cb 0.50 -0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.46 3hox n LEU 114 CO 0.49 0.27 0.09 -0.76 -1.33 0.00 0.00 177.39 176.14 3hox s LEU 115 N -1.81 -0.67 0.00 2.23 1.43 -1.26 -4.92 118.68 113.69 3hox s LEU 115 Ca 0.36 1.10 -0.00 0.00 -1.03 0.00 0.00 54.13 54.56 3hox s LEU 115 Cb 0.19 1.56 0.02 0.00 0.03 0.00 0.00 46.19 48.00 3hox s LEU 115 CO 0.30 -0.22 0.17 0.47 0.23 0.00 0.00 176.35 177.30 3hox n ASP 116 N 5.18 0.23 0.06 2.29 8.00 -1.26 -4.93 116.55 126.13 3hox n ASP 116 Ca -0.12 -1.19 0.11 0.00 0.71 0.00 0.00 54.79 54.30 3hox n ASP 116 Cb 0.51 -0.11 0.43 0.00 -0.02 0.00 0.00 41.12 41.93 3hox n ASP 116 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hox n GLU 117 N -1.31 0.11 0.07 -1.24 4.71 -1.26 -2.44 120.64 119.28 3hox n GLU 117 Ca 0.03 0.28 -0.13 0.00 -0.01 0.00 0.00 57.16 57.33 3hox n GLU 117 Cb 0.10 -1.69 -0.07 0.00 -1.01 0.00 0.00 31.44 28.77 3hox n GLU 117 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 3hox h HIS 118 N 0.00 -0.08 -3.81 -0.32 3.86 -2.01 -3.39 115.15 109.40 3hox h HIS 118 Ca 0.00 -0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 58.71 3hox h HIS 118 Cb 0.40 0.02 0.02 0.00 1.06 0.00 0.00 27.41 28.91 3hox h HIS 118 CO 0.00 -0.03 0.47 1.21 0.86 0.00 0.00 177.93 180.44 3hox s ASN 119 N -5.14 7.25 -0.10 2.45 3.84 -1.02 -4.84 114.94 117.38 3hox s ASN 119 Ca -0.14 2.26 -0.12 0.00 0.21 0.00 0.00 52.86 55.07 3hox s ASN 119 Cb 0.06 -2.63 -0.10 0.00 -0.55 0.00 0.00 41.25 38.03 3hox s ASN 119 CO 0.66 -0.16 0.37 -0.08 -2.79 0.00 0.00 177.10 175.11 3hox h GLU 120 N 3.76 -0.06 0.00 0.43 4.81 -1.85 -3.08 114.58 118.59 3hox h GLU 120 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3hox h GLU 120 Cb 1.21 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.61 3hox h GLU 120 CO 0.67 0.29 0.31 1.25 -0.73 0.00 0.00 179.01 180.80 3hox h LEU 121 N -0.99 0.00 0.00 1.64 6.46 -1.95 0.79 115.31 121.26 3hox h LEU 121 Ca -0.01 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.75 3hox h LEU 121 Cb 0.38 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.31 3hox h LEU 121 CO 0.01 0.00 -0.00 -0.03 -0.62 0.00 0.00 178.44 177.80 3hox h MET 122 N 0.00 -0.00 -0.25 1.25 4.05 -1.86 -3.11 114.93 115.01 3hox h MET 122 Ca 0.00 0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.44 3hox h MET 122 Cb 0.63 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.42 3hox h MET 122 CO 0.00 0.87 0.17 0.00 0.23 0.00 0.00 176.91 178.18 3hox h ARG 123 N -0.92 0.24 0.00 0.39 3.08 0.57 0.42 114.38 118.16 3hox h ARG 123 Ca -0.00 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3hox h ARG 123 Cb 0.88 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.87 3hox h ARG 123 CO 0.00 0.16 -0.04 0.37 -1.07 0.00 0.00 179.97 179.39 3hox h GLN 124 N 0.25 0.00 0.00 0.04 4.15 -0.87 -2.37 115.11 116.31 3hox h GLN 124 Ca 0.10 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.35 3hox h GLN 124 Cb 0.10 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.76 3hox h GLN 124 CO -0.02 0.04 -0.99 0.00 -1.93 0.00 0.00 178.83 175.93 3hox h ALA 125 N 1.96 0.20 0.00 3.38 0.00 -0.18 -3.32 119.26 121.29 3hox h ALA 125 Ca -0.00 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 53.88 3hox h ALA 125 Cb 0.10 0.60 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3hox h ALA 125 CO 0.01 0.57 0.00 1.28 0.00 0.00 0.00 179.25 181.10 3hox n LEU 126 N -4.48 0.00 -0.12 0.00 4.77 -0.14 0.14 117.00 117.17 3hox n LEU 126 Ca -0.26 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.56 3hox n LEU 126 Cb 0.61 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.57 3hox n LEU 126 CO 0.20 0.00 -1.28 0.00 -1.33 0.00 0.00 177.39 174.98 3hox n ALA 127 N -0.71 1.47 -1.54 -1.18 0.00 -0.92 -4.88 120.51 112.75 3hox n ALA 127 Ca 0.00 -1.16 -0.30 0.00 0.00 0.00 0.00 53.44 51.98 3hox n ALA 127 Cb 0.00 -0.12 -0.09 0.00 0.00 0.00 0.00 19.45 19.25 3hox n ALA 127 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3hox n ILE 128 N -3.10 -0.04 -2.24 0.00 5.41 0.12 -4.86 119.36 114.65 3hox n ILE 128 Ca -0.41 -0.52 -0.43 0.00 1.00 0.00 0.00 62.75 62.38 3hox n ILE 128 Cb 1.03 -1.78 -0.02 0.00 -0.71 0.00 0.00 39.64 38.15 3hox n ILE 128 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 3hox s LYS 129 N 8.45 3.51 0.00 0.38 1.02 -1.26 -4.44 119.74 127.40 3hox s LYS 129 Ca 1.09 1.10 0.00 0.00 0.02 0.00 0.00 55.97 58.18 3hox s LYS 129 Cb -0.49 -4.07 0.00 0.00 -0.52 0.00 0.00 37.83 32.75 3hox s LYS 129 CO 0.31 -1.64 0.00 -3.47 -0.92 0.00 0.00 175.35 169.63 3hox n ASP 130 N 9.23 0.00 0.00 2.83 -0.08 -1.26 -4.97 116.55 122.29 3hox n ASP 130 Ca 0.18 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.46 3hox n ASP 130 Cb 0.48 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.94 3hox n ASP 130 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 3hox n SER 131 N 0.00 0.00 -0.12 1.67 7.64 -1.26 -0.52 113.62 121.02 3hox n SER 131 Ca 0.00 0.69 -0.03 0.00 1.01 0.00 0.00 58.87 60.53 3hox n SER 131 Cb 0.00 -0.22 -0.03 0.00 -1.01 0.00 0.00 64.21 62.95 3hox n SER 131 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3hox n LYS 132 N -1.90 -0.13 -0.06 1.43 4.76 -1.26 -0.73 118.16 120.27 3hox n LYS 132 Ca 0.00 1.07 0.03 0.00 -2.87 0.00 0.00 58.31 56.54 3hox n LYS 132 Cb 0.00 -1.59 0.38 0.00 -1.84 0.00 0.00 35.03 31.98 3hox n LYS 132 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 3hox h LYS 133 N 0.00 0.66 0.74 1.97 1.57 -1.91 -0.69 116.57 118.89 3hox h LYS 133 Ca 0.05 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 3hox h LYS 133 Cb 0.12 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.29 3hox h LYS 133 CO -0.28 0.43 -0.35 -0.09 -0.57 0.00 0.00 179.45 178.59 3hox h ARG 134 N 0.68 -0.96 -0.12 3.15 2.43 0.38 -1.07 114.38 118.87 3hox h ARG 134 Ca 0.19 0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.46 3hox h ARG 134 Cb -0.06 0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3hox h ARG 134 CO -0.04 -0.62 0.38 0.35 -1.51 0.00 0.00 179.97 178.52 3hox h PHE 135 N -1.21 0.00 -0.03 2.20 3.57 -0.70 0.51 116.94 121.28 3hox h PHE 135 Ca -0.10 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.37 3hox h PHE 135 Cb 0.78 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.52 3hox h PHE 135 CO -0.00 0.00 -0.08 0.00 -2.23 0.00 0.00 178.31 176.00 3hox h ALA 136 N 1.36 0.05 0.05 2.41 0.00 -0.39 -2.73 119.26 120.00 3hox h ALA 136 Ca 0.06 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3hox h ALA 136 Cb 0.81 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3hox h ALA 136 CO -0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 179.25 179.14 3hox h ALA 137 N 0.43 -0.82 -1.39 0.00 0.00 0.12 -2.49 119.26 115.10 3hox h ALA 137 Ca -0.00 -0.01 0.43 0.00 0.00 0.00 0.00 54.91 55.32 3hox h ALA 137 Cb 0.68 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.42 3hox h ALA 137 CO 0.02 -0.82 0.96 -0.89 0.00 0.00 0.00 179.25 178.52 3hox n ILE 138 N -2.20 -0.08 -0.02 0.00 5.41 0.15 0.57 119.36 123.18 3hox n ILE 138 Ca -0.01 1.28 -0.01 0.00 1.00 0.00 0.00 62.75 65.02 3hox n ILE 138 Cb 0.03 -2.13 -0.00 0.00 -0.71 0.00 0.00 39.64 36.83 3hox n ILE 138 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 176.55 176.30 3hox h TRP 139 N 0.00 -0.04 -1.03 1.39 7.01 -1.39 -2.58 115.95 119.31 3hox h TRP 139 Ca 0.73 -0.00 0.28 0.00 2.11 0.00 0.00 58.89 62.01 3hox h TRP 139 Cb 2.71 0.01 -0.06 0.00 -2.10 0.00 0.00 29.16 29.73 3hox h TRP 139 CO -0.00 -0.03 0.72 1.15 -2.79 0.00 0.00 178.44 177.49 3hox h THR 140 N -0.77 0.51 0.00 2.65 2.02 -0.50 0.33 112.91 117.15 3hox h THR 140 Ca -0.00 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.13 3hox h THR 140 Cb 0.04 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 3hox h THR 140 CO 0.01 0.03 0.00 0.18 0.37 0.00 0.00 175.52 176.10 3hox n LEU 141 N -4.36 0.23 -1.64 2.58 4.77 0.19 -3.98 117.00 114.80 3hox n LEU 141 Ca 0.23 0.59 -0.12 0.00 -0.03 0.00 0.00 56.01 56.67 3hox n LEU 141 Cb 1.01 -0.14 0.10 0.00 -2.33 0.00 0.00 43.42 42.06 3hox n LEU 141 CO 0.35 -0.14 0.90 0.00 -1.33 0.00 0.00 177.39 177.18 3hox h LYS 143 N 0.61 0.00 0.14 0.00 2.10 -1.00 -3.25 116.57 115.17 3hox h LYS 143 Ca 0.32 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.69 3hox h LYS 143 Cb 1.97 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 33.31 3hox h LYS 143 CO 0.58 0.72 -1.25 1.15 -2.00 0.00 0.00 179.45 178.64 3hox h THR 144 N 0.00 1.45 -2.03 0.07 2.02 -1.80 -3.44 112.91 109.18 3hox h THR 144 Ca -0.03 -2.93 -0.58 0.00 0.77 0.00 0.00 66.41 63.64 3hox h THR 144 Cb 1.60 2.90 0.00 0.00 -1.74 0.00 0.00 68.15 70.92 3hox h THR 144 CO 0.09 0.86 1.47 -0.75 0.37 0.00 0.00 175.52 177.56 3hox s LYS 145 N -2.72 3.24 -0.32 6.66 2.36 -1.23 -4.86 119.74 122.88 3hox s LYS 145 Ca -0.05 2.10 0.08 0.00 -2.55 0.00 0.00 55.97 55.54 3hox s LYS 145 Cb 0.07 -4.35 0.46 0.00 -1.05 0.00 0.00 37.83 32.95 3hox s LYS 145 CO 0.89 -1.99 1.17 -1.33 1.55 0.00 0.00 175.35 175.64 3hox n MET 146 N 8.63 3.43 -3.66 4.03 2.81 -1.26 -4.92 117.12 126.18 3hox n MET 146 Ca 0.29 -4.18 -0.06 0.00 -1.81 0.00 0.00 57.70 51.94 3hox n MET 146 Cb 0.45 -2.22 -0.07 0.00 -0.71 0.00 0.00 33.22 30.67 3hox n MET 146 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3hox s VAL 147 N -4.71 -0.49 -1.23 2.03 1.01 -1.26 0.23 120.40 115.98 3hox s VAL 147 Ca 0.49 0.05 -0.20 0.00 0.00 0.00 0.00 61.98 62.32 3hox s VAL 147 Cb 0.40 -0.87 -0.02 0.00 0.00 0.00 0.00 36.38 35.90 3hox s VAL 147 CO -0.01 0.02 1.86 0.00 0.00 0.00 0.00 175.10 176.97 3hox n GLU 149 N 8.14 2.02 0.04 0.00 4.71 -1.26 -3.40 120.64 130.89 3hox n GLU 149 Ca 0.47 0.73 0.12 0.00 -0.01 0.00 0.00 57.16 58.47 3hox n GLU 149 Cb 0.46 -2.50 0.11 0.00 -1.01 0.00 0.00 31.44 28.50 3hox n GLU 149 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 3hox n THR 150 N 3.72 0.24 -3.72 2.62 -1.04 -1.26 -4.66 114.28 110.19 3hox n THR 150 Ca 0.19 -0.23 -0.13 0.00 -2.04 0.00 0.00 64.05 61.84 3hox n THR 150 Cb 0.27 0.05 -0.13 0.00 -1.82 0.00 0.00 70.33 68.71 3hox n THR 150 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 3hox s ASP 151 N -3.98 -0.18 -0.02 8.00 1.01 -1.26 -2.24 116.67 118.00 3hox s ASP 151 Ca 0.06 0.53 0.04 0.00 0.71 0.00 0.00 52.55 53.89 3hox s ASP 151 Cb 0.14 0.44 -0.01 0.00 1.01 0.00 0.00 42.92 44.50 3hox s ASP 151 CO 0.75 -0.18 -0.15 -0.69 0.21 0.00 0.00 175.17 175.12 3hox s VAL 152 N 1.41 1.24 -0.64 -1.27 1.01 0.17 -4.84 120.40 117.48 3hox s VAL 152 Ca -0.08 -0.65 -0.26 0.00 0.00 0.00 0.00 61.98 60.99 3hox s VAL 152 Cb -0.11 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 3hox s VAL 152 CO -0.09 0.36 1.92 -2.16 0.00 0.00 0.00 175.10 175.13 3hox s PRO 153 N -0.19 2.56 0.57 2.72 0.04 -1.26 0.79 135.00 140.23 3hox s PRO 153 Ca 0.02 0.58 -0.03 0.00 0.04 0.00 0.00 61.00 61.61 3hox s PRO 153 Cb -0.08 -4.48 0.05 0.00 0.04 0.00 0.00 34.50 30.03 3hox s PRO 153 CO 0.00 -2.87 0.11 -1.13 0.04 0.00 0.00 177.00 173.15 3hox n SER 154 N 13.22 -2.10 -2.10 6.66 3.41 -1.23 -4.74 113.62 126.73 3hox n SER 154 Ca 0.24 -0.11 -0.17 0.00 -0.26 0.00 0.00 58.87 58.57 3hox n SER 154 Cb 0.52 -0.51 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 3hox n SER 154 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hox n GLU 155 N 1.56 1.98 0.00 4.33 1.02 -1.26 -4.16 120.64 124.11 3hox n GLU 155 Ca 0.02 -1.47 0.00 0.00 -0.02 0.00 0.00 57.16 55.69 3hox n GLU 155 Cb 0.08 -1.86 0.00 0.00 -0.02 0.00 0.00 31.44 29.64 3hox n GLU 155 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3hox n ASP 156 N 1.38 0.00 -4.25 1.62 8.00 -1.26 -5.13 116.55 116.91 3hox n ASP 156 Ca 0.37 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.69 3hox n ASP 156 Cb 0.67 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.66 3hox n ASP 156 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 3hox s ASP 157 N 1.00 2.06 0.00 -2.24 -4.77 -1.26 -5.03 116.67 106.43 3hox s ASP 157 Ca 0.00 -0.79 0.13 0.00 -3.30 0.00 0.00 52.55 48.59 3hox s ASP 157 Cb 0.00 -0.08 0.76 0.00 -1.09 0.00 0.00 42.92 42.51 3hox s ASP 157 CO 0.00 -0.12 1.44 -0.81 0.70 0.00 0.00 175.17 176.39 3hox n PRO 158 N 0.62 0.94 0.05 2.11 -0.04 -1.26 -3.39 135.00 134.02 3hox n PRO 158 Ca -0.16 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.15 3hox n PRO 158 Cb 0.56 -1.21 -0.14 0.00 -0.04 0.00 0.00 33.50 32.67 3hox n PRO 158 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3hox h THR 159 N 0.00 1.13 -3.47 0.52 2.02 -1.95 -3.43 112.91 107.73 3hox h THR 159 Ca 0.00 -2.81 -0.72 0.00 0.77 0.00 0.00 66.41 63.65 3hox h THR 159 Cb 0.00 2.71 -0.31 0.00 -1.74 0.00 0.00 68.15 68.80 3hox h THR 159 CO 0.00 0.79 -0.33 0.00 0.37 0.00 0.00 175.52 176.35 3hox s GLN 160 N -2.62 2.61 0.00 6.66 1.03 -1.22 -5.07 119.66 121.05 3hox s GLN 160 Ca -0.08 -2.11 -0.30 0.00 0.04 0.00 0.00 55.36 52.91 3hox s GLN 160 Cb 0.07 -3.90 -0.04 0.00 0.03 0.00 0.00 33.01 29.18 3hox s GLN 160 CO 0.84 -1.19 1.05 -0.51 -2.54 0.00 0.00 175.29 172.94 3hox s LEU 161 N 0.72 4.35 0.39 2.60 2.01 -1.26 -3.58 118.68 123.92 3hox s LEU 161 Ca 0.11 1.75 0.08 0.00 0.01 0.00 0.00 54.13 56.08 3hox s LEU 161 Cb -0.22 -3.57 0.00 0.00 0.01 0.00 0.00 46.19 42.42 3hox s LEU 161 CO -0.03 -0.35 0.53 -0.69 1.01 0.00 0.00 176.35 176.82 3hox s VAL 162 N 1.17 3.36 0.09 -1.59 1.01 0.24 -4.79 120.40 119.89 3hox s VAL 162 Ca 0.54 -1.01 0.06 0.00 0.00 0.00 0.00 61.98 61.57 3hox s VAL 162 Cb -0.23 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 3hox s VAL 162 CO 0.27 -0.05 -0.07 -0.94 0.00 0.00 0.00 175.10 174.30 3hox s SER 163 N -4.28 4.56 0.00 3.32 1.04 -1.26 0.46 113.70 117.53 3hox s SER 163 Ca 0.51 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.64 3hox s SER 163 Cb -0.10 -0.95 0.00 0.00 0.10 0.00 0.00 66.02 65.08 3hox s SER 163 CO 0.32 0.19 0.00 -2.11 0.98 0.00 0.00 173.24 172.63 3hox n ARG 164 N 0.81 0.99 -1.01 4.02 1.85 -0.95 -4.97 116.66 117.39 3hox n ARG 164 Ca -0.13 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.43 3hox n ARG 164 Cb 0.52 0.00 0.21 0.00 -1.05 0.00 0.00 32.46 32.14 3hox n ARG 164 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 3hox s GLY 165 N 0.00 1.55 0.00 2.89 0.00 -1.26 -4.95 107.32 105.55 3hox s GLY 165 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 44.72 44.29 3hox s GLY 165 CO 0.00 0.26 0.00 0.61 0.00 0.00 0.00 173.10 173.97 3hox n GLY 166 N -0.63 0.66 1.19 0.20 0.00 -1.26 -4.00 105.19 101.35 3hox n GLY 166 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.04 3hox n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hox n GLY 168 N 0.35 -0.60 0.00 0.00 0.00 -1.22 -4.32 105.19 99.40 3hox n GLY 168 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3hox n GLY 168 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hox n ASN 169 N -1.24 0.00 -4.75 1.61 3.02 -1.26 -3.01 115.26 109.63 3hox n ASN 169 Ca 0.06 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.21 3hox n ASN 169 Cb 0.08 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.27 3hox n ASN 169 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3hox n THR 170 N 0.00 2.93 -3.26 3.41 -1.04 -1.26 -3.32 114.28 111.74 3hox n THR 170 Ca 0.00 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.05 61.11 3hox n THR 170 Cb 0.00 -1.78 -0.08 0.00 -1.82 0.00 0.00 70.33 66.65 3hox n THR 170 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3hox s GLN 171 N -2.49 4.01 0.14 -2.82 -1.52 0.14 -4.90 119.66 112.22 3hox s GLN 171 Ca 0.63 0.22 -0.31 0.00 -1.95 0.00 0.00 55.36 53.95 3hox s GLN 171 Cb -0.45 -3.67 -0.09 0.00 -0.22 0.00 0.00 33.01 28.58 3hox s GLN 171 CO 0.56 -0.37 1.56 -1.25 -0.25 0.00 0.00 175.29 175.55 3hox s PRO 172 N 2.28 4.22 -0.39 2.91 0.04 -1.26 -4.77 135.00 138.03 3hox s PRO 172 Ca 0.20 2.32 -0.28 0.00 0.04 0.00 0.00 61.00 63.28 3hox s PRO 172 Cb -0.16 -3.24 -0.01 0.00 0.04 0.00 0.00 34.50 31.13 3hox s PRO 172 CO 0.10 -0.61 1.69 0.99 0.04 0.00 0.00 177.00 179.20 3hox s THR 173 N 1.40 3.59 0.11 1.26 2.01 -0.97 -4.67 115.64 118.37 3hox s THR 173 Ca 0.70 0.58 -0.13 0.00 0.31 0.00 0.00 61.69 63.15 3hox s THR 173 Cb -0.42 -3.85 -0.06 0.00 0.01 0.00 0.00 72.50 68.17 3hox s THR 173 CO 0.31 -0.58 0.48 -0.63 -0.69 0.00 0.00 174.62 173.52 3hox s ILE 174 N 6.68 4.96 0.03 1.82 1.01 -1.26 -2.14 121.20 132.30 3hox s ILE 174 Ca 0.73 0.68 -0.07 0.00 0.00 0.00 0.00 60.65 61.99 3hox s ILE 174 Cb -0.19 -3.70 -0.01 0.00 0.01 0.00 0.00 42.46 38.58 3hox s ILE 174 CO 0.32 0.28 0.12 0.00 0.00 0.00 0.00 174.94 175.67 3hox s ARG 175 N -1.88 0.58 0.13 2.79 1.70 0.87 -4.98 118.95 118.17 3hox s ARG 175 Ca 0.35 -0.64 -0.16 0.00 -0.47 0.00 0.00 55.73 54.80 3hox s ARG 175 Cb -0.15 0.23 -0.07 0.00 -0.57 0.00 0.00 34.95 34.40 3hox s ARG 175 CO 0.18 -0.15 0.57 0.21 -1.08 0.00 0.00 175.30 175.03 3hox s LYS 176 N -2.30 4.06 -0.21 3.89 2.20 -1.26 -0.99 119.74 125.13 3hox s LYS 176 Ca -0.07 0.59 -0.04 0.00 -0.36 0.00 0.00 55.97 56.08 3hox s LYS 176 Cb -0.03 -3.01 0.11 0.00 -1.51 0.00 0.00 37.83 33.39 3hox s LYS 176 CO -0.03 0.52 0.31 0.34 -0.36 0.00 0.00 175.35 176.12 3hox s ASP 177 N -1.55 0.64 1.61 1.43 -1.08 -0.05 -4.95 116.67 112.73 3hox s ASP 177 Ca 0.36 0.16 0.00 0.00 -0.52 0.00 0.00 52.55 52.54 3hox s ASP 177 Cb -0.16 0.81 0.00 0.00 -1.46 0.00 0.00 42.92 42.11 3hox s ASP 177 CO 0.19 -0.30 0.00 0.61 0.52 0.00 0.00 175.17 176.19 3hox n GLY 178 N 5.35 3.96 1.11 2.66 0.00 -1.26 0.26 105.19 117.26 3hox n GLY 178 Ca -0.05 0.19 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 3hox n GLY 178 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hox n LEU 179 N 0.00 4.16 -4.19 0.99 4.77 -1.26 -4.97 117.00 116.51 3hox n LEU 179 Ca 0.00 -3.50 -0.25 0.00 -0.03 0.00 0.00 56.01 52.24 3hox n LEU 179 Cb 0.00 -0.61 -0.15 0.00 -2.33 0.00 0.00 43.42 40.33 3hox n LEU 179 CO 0.00 1.04 -0.50 -0.54 -1.33 0.00 0.00 177.39 176.05 3hox s LYS 180 N -3.10 1.37 -0.12 3.23 -0.14 0.14 -4.92 119.74 116.20 3hox s LYS 180 Ca 0.44 -0.73 -0.06 0.00 -1.36 0.00 0.00 55.97 54.26 3hox s LYS 180 Cb 0.39 -1.38 -0.04 0.00 -1.68 0.00 0.00 37.83 35.12 3hox s LYS 180 CO 0.04 0.37 0.12 -0.51 -0.76 0.00 0.00 175.35 174.60 3hox s LEU 181 N -0.70 4.27 -0.02 3.17 1.43 -1.26 -0.87 118.68 124.70 3hox s LEU 181 Ca 0.06 0.41 0.02 0.00 -1.03 0.00 0.00 54.13 53.60 3hox s LEU 181 Cb -0.07 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.11 3hox s LEU 181 CO 0.00 0.39 -0.07 -0.69 0.23 0.00 0.00 176.35 176.22 3hox s VAL 182 N -0.93 0.57 0.11 -1.59 1.01 -0.16 -1.64 120.40 117.77 3hox s VAL 182 Ca 0.14 -0.26 0.05 0.00 0.00 0.00 0.00 61.98 61.91 3hox s VAL 182 Cb -0.12 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 3hox s VAL 182 CO 0.03 0.18 -0.12 -0.83 0.00 0.00 0.00 175.10 174.36 3hox s GLY 183 N 0.12 0.97 -0.17 4.51 0.00 -0.95 -0.09 107.32 111.72 3hox s GLY 183 Ca -0.01 -1.23 -0.01 0.00 0.00 0.00 0.00 44.72 43.47 3hox s GLY 183 CO -0.00 -1.29 -0.03 -1.35 0.00 0.00 0.00 173.10 170.43 3hox s SER 184 N -2.39 2.83 -0.44 1.64 1.04 -0.91 -1.89 113.70 113.58 3hox s SER 184 Ca 0.07 -0.69 -0.23 0.00 0.48 0.00 0.00 55.95 55.58 3hox s SER 184 Cb -0.05 -0.83 0.02 0.00 0.10 0.00 0.00 66.02 65.27 3hox s SER 184 CO 0.02 -0.21 0.76 0.26 0.98 0.00 0.00 173.24 175.04 3hox s TRP 185 N 1.69 3.02 0.38 5.02 0.51 -1.25 -2.28 118.94 126.03 3hox s TRP 185 Ca 0.00 0.18 0.05 0.00 -2.12 0.00 0.00 56.10 54.21 3hox s TRP 185 Cb -0.16 -3.57 -0.00 0.00 -0.81 0.00 0.00 33.47 28.93 3hox s TRP 185 CO -0.07 -0.93 0.55 0.21 -0.51 0.00 0.00 176.95 176.20 3hox s LYS 186 N 3.18 3.06 0.00 4.98 2.20 -1.26 -2.84 119.74 129.06 3hox s LYS 186 Ca 0.29 -0.85 -0.00 0.00 -0.36 0.00 0.00 55.97 55.04 3hox s LYS 186 Cb -0.13 -2.73 -0.00 0.00 -1.51 0.00 0.00 37.83 33.47 3hox s LYS 186 CO 0.21 -0.09 0.00 -1.91 -0.36 0.00 0.00 175.35 173.21 3hox n GLU 196 N -1.81 0.00 -0.30 4.03 2.13 -1.26 -4.96 120.64 118.47 3hox n GLU 196 Ca 0.01 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.79 3hox n GLU 196 Cb 0.58 -0.01 0.03 0.00 0.27 0.00 0.00 31.44 32.31 3hox n GLU 196 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 3hox n PRO 197 N 0.01 -0.18 -3.38 5.31 -0.04 -1.26 -5.08 135.00 130.38 3hox n PRO 197 Ca 0.00 -0.31 -0.26 0.00 -0.04 0.00 0.00 63.50 62.89 3hox n PRO 197 Cb 0.00 -0.20 -0.08 0.00 -0.04 0.00 0.00 33.50 33.17 3hox n PRO 197 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3hox n GLU 198 N -1.42 1.25 -1.80 0.54 1.02 -1.13 -4.97 120.64 114.13 3hox n GLU 198 Ca 0.03 -3.77 -0.42 0.00 -0.02 0.00 0.00 57.16 52.97 3hox n GLU 198 Cb 0.09 -1.72 -0.03 0.00 -0.02 0.00 0.00 31.44 29.76 3hox n GLU 198 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3hox s LEU 199 N -1.34 4.39 0.02 -4.62 1.43 -1.26 -3.93 118.68 113.37 3hox s LEU 199 Ca 0.35 2.57 -0.09 0.00 -1.03 0.00 0.00 54.13 55.92 3hox s LEU 199 Cb 0.11 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.79 3hox s LEU 199 CO -0.11 -0.98 0.19 0.00 0.23 0.00 0.00 176.35 175.68 3hox s ARG 200 N 3.64 0.64 -0.07 1.70 1.70 -0.79 -5.02 118.95 120.73 3hox s ARG 200 Ca 0.81 -0.53 -0.22 0.00 -0.47 0.00 0.00 55.73 55.32 3hox s ARG 200 Cb -0.41 0.27 -0.04 0.00 -0.57 0.00 0.00 34.95 34.20 3hox s ARG 200 CO 0.36 -0.18 0.64 0.08 -1.08 0.00 0.00 175.30 175.13 3hox s VAL 201 N -2.14 5.07 -0.40 4.99 1.01 -1.26 -2.23 120.40 125.43 3hox s VAL 201 Ca -0.08 1.32 -0.29 0.00 0.00 0.00 0.00 61.98 62.93 3hox s VAL 201 Cb -0.03 -3.98 0.02 0.00 0.00 0.00 0.00 36.38 32.39 3hox s VAL 201 CO -0.02 0.28 1.11 -0.76 0.00 0.00 0.00 175.10 175.71 3hox s LEU 202 N 0.67 3.79 0.74 3.92 1.43 -0.65 -4.98 118.68 123.60 3hox s LEU 202 Ca 0.34 0.76 -0.11 0.00 -1.03 0.00 0.00 54.13 54.10 3hox s LEU 202 Cb -0.17 -3.54 0.04 0.00 0.03 0.00 0.00 46.19 42.54 3hox s LEU 202 CO 0.16 -1.06 1.08 -0.94 0.23 0.00 0.00 176.35 175.82 3hox s SER 203 N 2.05 4.88 0.02 2.29 1.04 -1.26 -4.43 113.70 118.29 3hox s SER 203 Ca 0.47 1.65 -0.13 0.00 0.48 0.00 0.00 55.95 58.42 3hox s SER 203 Cb -0.10 -2.44 -0.07 0.00 0.10 0.00 0.00 66.02 63.51 3hox s SER 203 CO 0.23 -1.77 1.16 0.74 0.98 0.00 0.00 173.24 174.58 3hox h THR 204 N -0.94 0.00 -0.86 2.02 2.02 -1.95 -1.18 112.91 112.01 3hox h THR 204 Ca -0.44 -0.01 0.32 0.00 0.77 0.00 0.00 66.41 67.04 3hox h THR 204 Cb 1.23 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 67.48 3hox h THR 204 CO 0.55 0.00 0.31 -0.62 0.37 0.00 0.00 175.52 176.13 3hox n GLU 205 N -3.27 -0.06 0.08 6.66 4.71 -1.26 0.94 120.64 128.45 3hox n GLU 205 Ca -0.06 1.23 -0.04 0.00 -0.01 0.00 0.00 57.16 58.28 3hox n GLU 205 Cb 0.18 -2.12 -0.02 0.00 -1.01 0.00 0.00 31.44 28.47 3hox n GLU 205 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 3hox h GLU 206 N 0.00 -0.25 0.04 3.49 4.81 -1.86 0.73 114.58 121.54 3hox h GLU 206 Ca 0.66 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.92 3hox h GLU 206 Cb 1.65 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 31.05 3hox h GLU 206 CO -0.72 -0.16 -0.35 0.82 -0.73 0.00 0.00 179.01 177.87 3hox h ILE 207 N -0.25 0.00 -0.72 2.32 1.08 0.14 -2.09 117.51 117.98 3hox h ILE 207 Ca -0.02 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.52 3hox h ILE 207 Cb 0.21 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 33.88 3hox h ILE 207 CO 0.00 0.00 -0.43 -0.11 -0.69 0.00 0.00 178.15 176.92 3hox n LEU 208 N -4.40 -0.77 0.07 1.44 -0.00 0.27 -1.12 117.00 112.48 3hox n LEU 208 Ca -0.05 1.38 -0.11 0.00 -0.00 0.00 0.00 56.01 57.23 3hox n LEU 208 Cb 0.26 -0.21 -0.05 0.00 -0.00 0.00 0.00 43.42 43.42 3hox n LEU 208 CO 0.09 -1.10 0.74 -1.13 -0.00 0.00 0.00 177.39 176.00 3hox h ASN 209 N 0.00 -0.52 -0.87 1.96 -0.73 -0.53 -0.48 115.58 114.40 3hox h ASN 209 Ca 0.12 0.07 0.21 0.00 1.87 0.00 0.00 56.30 58.57 3hox h ASN 209 Cb 0.30 0.22 -0.12 0.00 0.27 0.00 0.00 38.32 38.98 3hox h ASN 209 CO -0.68 -0.25 0.36 0.40 -0.37 0.00 0.00 177.43 176.89 3hox h ILE 210 N -0.31 0.49 -0.08 2.57 2.04 -0.43 -0.07 117.51 121.73 3hox h ILE 210 Ca 0.05 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 3hox h ILE 210 Cb 0.37 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.51 3hox h ILE 210 CO -0.16 0.07 0.04 -0.26 0.00 0.00 0.00 178.15 177.84 3hox h PHE 211 N 0.39 0.11 -1.04 1.37 0.04 -0.18 -2.31 116.94 115.31 3hox h PHE 211 Ca 0.54 -0.01 0.27 0.00 2.80 0.00 0.00 57.97 61.57 3hox h PHE 211 Cb 1.00 -0.03 -0.11 0.00 2.20 0.00 0.00 35.95 39.00 3hox h PHE 211 CO -0.16 0.20 0.65 0.87 -0.60 0.00 0.00 178.31 179.27 3hox h LYS 212 N -0.01 0.43 0.00 1.51 1.57 0.54 0.34 116.57 120.96 3hox h LYS 212 Ca 0.03 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3hox h LYS 212 Cb 0.13 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3hox h LYS 212 CO -0.00 0.28 -0.25 0.45 -0.57 0.00 0.00 179.45 179.36 3hox h HIS 213 N 0.44 0.00 -1.57 -1.35 3.86 -0.99 -3.46 115.15 112.08 3hox h HIS 213 Ca 0.63 0.00 -0.71 0.00 -1.16 0.00 0.00 60.37 59.14 3hox h HIS 213 Cb 1.48 0.00 0.05 0.00 1.06 0.00 0.00 27.41 29.99 3hox h HIS 213 CO -0.00 0.25 0.49 -0.89 0.86 0.00 0.00 177.93 178.63 3hox n ILE 214 N -3.17 0.05 -0.86 2.45 5.41 0.12 -4.86 119.36 118.51 3hox n ILE 214 Ca 0.03 -0.01 -0.33 0.00 1.00 0.00 0.00 62.75 63.44 3hox n ILE 214 Cb 0.61 -0.79 0.12 0.00 -0.71 0.00 0.00 39.64 38.88 3hox n ILE 214 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 3hox n SER 215 N 2.92 -1.55 -0.11 4.38 2.88 -1.24 -4.73 113.62 116.17 3hox n SER 215 Ca 0.20 0.38 -0.14 0.00 -1.33 0.00 0.00 58.87 57.99 3hox n SER 215 Cb 0.16 -1.25 -0.03 0.00 -0.75 0.00 0.00 64.21 62.34 3hox n SER 215 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 3hox h VAL 216 N -1.42 1.28 0.00 2.46 2.07 -1.97 0.10 116.25 118.77 3hox h VAL 216 Ca -0.44 -1.58 -0.06 0.00 0.82 0.00 0.00 66.70 65.44 3hox h VAL 216 Cb 1.29 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 3hox h VAL 216 CO 0.37 0.52 -0.27 0.11 0.02 0.00 0.00 177.57 178.32 3hox h LYS 217 N 0.70 0.00 0.57 1.57 1.57 -1.99 -2.63 116.57 116.36 3hox h LYS 217 Ca 0.05 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 3hox h LYS 217 Cb 1.00 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.32 3hox h LYS 217 CO 0.10 0.27 -0.27 -0.44 -0.57 0.00 0.00 179.45 178.54 3hox h ASP 218 N 0.00 -0.64 0.00 0.86 3.32 -1.77 -1.63 116.42 116.56 3hox h ASP 218 Ca -0.00 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3hox h ASP 218 Cb 0.84 0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.56 3hox h ASP 218 CO 0.04 -0.31 0.00 0.49 -1.72 0.00 0.00 179.24 177.74 3hox n PHE 219 N -5.33 0.00 0.00 4.55 0.99 0.31 -1.56 117.46 116.42 3hox n PHE 219 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.33 3hox n PHE 219 Cb 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.82 3hox n PHE 219 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 3hox n THR 220 N -0.52 0.00 0.11 4.37 -1.04 -1.04 0.11 114.28 116.27 3hox n THR 220 Ca 0.00 0.94 0.18 0.00 -2.04 0.00 0.00 64.05 63.12 3hox n THR 220 Cb 0.00 -1.26 0.56 0.00 -1.82 0.00 0.00 70.33 67.82 3hox n THR 220 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 3hox h SER 221 N 0.00 0.00 -0.05 8.00 4.64 -1.00 2.93 113.55 128.06 3hox h SER 221 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hox h SER 221 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hox h SER 221 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 3hox n LEU 222 N -3.19 1.38 0.00 5.97 4.77 0.31 -4.51 117.00 121.73 3hox n LEU 222 Ca 0.08 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 3hox n LEU 222 Cb 0.87 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.93 3hox n LEU 222 CO 0.19 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 3hox n GLY 223 N 1.14 0.39 0.00 -0.72 0.00 0.98 -4.61 105.19 102.37 3hox n GLY 223 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3hox n GLY 223 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hox n PHE 224 N -2.00 0.00 -3.15 1.61 3.01 -1.17 -4.67 117.46 111.09 3hox n PHE 224 Ca 0.00 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.50 3hox n PHE 224 Cb 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.46 3hox n PHE 224 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 3hox s ASN 225 N -1.00 -1.37 0.60 4.37 2.47 -1.07 -4.53 114.94 114.41 3hox s ASN 225 Ca 0.00 0.48 0.28 0.00 0.42 0.00 0.00 52.86 54.05 3hox s ASN 225 Cb 0.00 2.00 0.99 0.00 -1.45 0.00 0.00 41.25 42.78 3hox s ASN 225 CO 0.00 -0.25 1.33 -0.08 -3.72 0.00 0.00 177.10 174.38 3hox h GLU 226 N 7.95 0.00 0.00 0.43 4.81 -1.90 -0.73 114.58 125.14 3hox h GLU 226 Ca -0.12 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 58.89 3hox h GLU 226 Cb 1.17 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.51 3hox h GLU 226 CO 0.16 0.00 -1.84 0.28 -0.73 0.00 0.00 179.01 176.88 3hox n VAL 227 N -3.30 0.85 -0.03 0.32 0.31 -1.26 -4.84 118.33 110.37 3hox n VAL 227 Ca 0.25 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 3hox n VAL 227 Cb 1.55 -0.86 -0.08 0.00 -0.91 0.00 0.00 33.84 33.54 3hox n VAL 227 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3hox n PHE 228 N -2.70 0.00 -2.98 3.52 0.99 -0.87 -4.95 117.46 110.47 3hox n PHE 228 Ca -0.23 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.10 3hox n PHE 228 Cb 0.84 -0.38 -0.03 0.00 -1.00 0.00 0.00 39.48 38.91 3hox n PHE 228 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 3hox s SER 229 N -3.78 -0.49 -0.12 4.37 1.04 -0.33 -0.98 113.70 113.39 3hox s SER 229 Ca -0.05 -2.13 -0.25 0.00 0.48 0.00 0.00 55.95 54.01 3hox s SER 229 Cb 0.05 1.14 -0.02 0.00 0.10 0.00 0.00 66.02 67.28 3hox s SER 229 CO 0.44 -0.10 0.79 -0.13 0.98 0.00 0.00 173.24 175.23 3hox s ARG 230 N 0.65 4.36 0.10 4.02 0.52 -1.24 -2.60 118.95 124.75 3hox s ARG 230 Ca 0.30 0.98 -0.05 0.00 -0.52 0.00 0.00 55.73 56.45 3hox s ARG 230 Cb 0.01 -3.53 0.14 0.00 0.52 0.00 0.00 34.95 32.09 3hox s ARG 230 CO -0.10 -0.18 0.62 -2.30 0.02 0.00 0.00 175.30 173.36 3hox n PRO 231 N 4.66 -0.06 0.00 3.54 -0.02 -1.26 0.21 135.00 142.07 3hox n PRO 231 Ca 0.02 0.62 0.22 0.00 -2.02 0.00 0.00 63.50 62.34 3hox n PRO 231 Cb 0.50 -0.92 0.72 0.00 -0.02 0.00 0.00 33.50 33.78 3hox n PRO 231 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3hox h GLU 232 N 0.00 0.00 0.00 -0.52 9.09 -1.89 0.26 114.58 121.52 3hox h GLU 232 Ca 0.17 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.58 3hox h GLU 232 Cb 0.27 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.37 3hox h GLU 232 CO -0.40 0.00 0.00 -1.49 0.05 0.00 0.00 179.01 177.17 3hox h TRP 233 N 0.00 0.00 0.00 2.06 6.55 0.22 -1.76 115.95 123.01 3hox h TRP 233 Ca 0.26 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.10 3hox h TRP 233 Cb 1.14 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.44 3hox h TRP 233 CO 0.00 0.00 0.00 -1.33 -1.05 0.00 0.00 178.44 176.06 3hox n MET 234 N -2.40 0.05 -4.00 0.49 2.81 0.08 -4.45 117.12 109.70 3hox n MET 234 Ca 0.02 0.38 -0.35 0.00 -1.81 0.00 0.00 57.70 55.94 3hox n MET 234 Cb 0.23 -1.61 -0.13 0.00 -0.71 0.00 0.00 33.22 31.00 3hox n MET 234 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3hox s ILE 235 N -3.11 3.81 0.40 2.02 1.01 -0.66 -3.39 121.20 121.28 3hox s ILE 235 Ca 0.04 -0.35 -0.24 0.00 0.00 0.00 0.00 60.65 60.09 3hox s ILE 235 Cb 0.07 -2.73 -0.09 0.00 0.01 0.00 0.00 42.46 39.71 3hox s ILE 235 CO 0.21 0.41 1.08 -0.76 0.00 0.00 0.00 174.94 175.89 3hox s LEU 236 N 1.22 4.15 0.00 2.97 1.43 0.04 -4.87 118.68 123.61 3hox s LEU 236 Ca 0.03 2.12 0.00 0.00 -1.03 0.00 0.00 54.13 55.25 3hox s LEU 236 Cb -0.15 -4.14 0.00 0.00 0.03 0.00 0.00 46.19 41.94 3hox s LEU 236 CO 0.01 -0.55 0.00 0.41 0.23 0.00 0.00 176.35 176.45 3hox n THR 237 N -0.03 0.00 -4.97 5.49 -1.04 -1.26 -2.30 114.28 110.17 3hox n THR 237 Ca 0.05 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.74 3hox n THR 237 Cb 0.49 0.00 -0.17 0.00 -1.82 0.00 0.00 70.33 68.83 3hox n THR 237 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hox s LEU 239 N 0.55 4.79 0.10 0.00 2.96 0.49 -4.91 118.68 122.65 3hox s LEU 239 Ca -0.14 -0.84 -0.31 0.00 -0.22 0.00 0.00 54.13 52.62 3hox s LEU 239 Cb -0.17 -2.09 -0.09 0.00 0.50 0.00 0.00 46.19 44.34 3hox s LEU 239 CO 0.05 -0.37 1.70 -2.16 -1.32 0.00 0.00 176.35 174.24 3hox s PRO 240 N 1.63 4.18 -0.76 0.98 0.04 -1.26 -1.82 135.00 137.99 3hox s PRO 240 Ca 0.04 2.42 -0.14 0.00 0.04 0.00 0.00 61.00 63.36 3hox s PRO 240 Cb -0.19 -3.54 0.20 0.00 0.04 0.00 0.00 34.50 31.02 3hox s PRO 240 CO 0.08 -0.76 0.70 0.08 0.04 0.00 0.00 177.00 177.15 3hox s VAL 241 N 2.47 5.46 0.14 -0.36 1.01 0.52 -4.95 120.40 124.68 3hox s VAL 241 Ca 0.76 -2.30 -0.33 0.00 0.00 0.00 0.00 61.98 60.10 3hox s VAL 241 Cb -0.42 -4.40 -0.17 0.00 0.00 0.00 0.00 36.38 31.39 3hox s VAL 241 CO 0.33 -0.99 0.94 -0.81 0.00 0.00 0.00 175.10 174.58 3hox n PRO 242 N 4.20 0.50 -1.69 2.72 -0.04 -1.26 -2.85 135.00 136.58 3hox n PRO 242 Ca 0.08 0.18 -0.30 0.00 -0.04 0.00 0.00 63.50 63.42 3hox n PRO 242 Cb 0.45 -1.53 0.06 0.00 -0.04 0.00 0.00 33.50 32.45 3hox n PRO 242 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3hox s PRO 243 N -0.49 2.64 0.03 0.54 0.04 -1.26 -4.90 135.00 131.60 3hox s PRO 243 Ca 0.75 0.65 -0.07 0.00 0.04 0.00 0.00 61.00 62.38 3hox s PRO 243 Cb -0.99 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 31.56 3hox s PRO 243 CO 0.55 -1.23 0.60 -2.30 0.04 0.00 0.00 177.00 174.66 3hox n PRO 244 N -3.17 -0.09 0.28 0.56 -0.02 -1.26 -0.92 135.00 130.38 3hox n PRO 244 Ca 0.07 0.59 0.04 0.00 -2.02 0.00 0.00 63.50 62.18 3hox n PRO 244 Cb 0.56 -0.88 0.22 0.00 -0.02 0.00 0.00 33.50 33.38 3hox n PRO 244 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3hox h PRO 245 N 0.00 0.00 0.00 0.52 0.11 -1.94 0.82 132.00 131.51 3hox h PRO 245 Ca 0.03 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.07 3hox h PRO 245 Cb 0.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.19 3hox h PRO 245 CO -0.20 0.00 -0.97 0.28 -0.21 0.00 0.00 178.00 176.90 3hox h VAL 246 N 0.00 0.28 -1.43 3.15 2.07 -1.38 -3.38 116.25 115.56 3hox h VAL 246 Ca 0.00 -1.50 -0.41 0.00 0.82 0.00 0.00 66.70 65.61 3hox h VAL 246 Cb 1.46 1.86 -0.36 0.00 -1.52 0.00 0.00 31.29 32.73 3hox h VAL 246 CO 0.00 0.16 -1.08 -2.11 0.02 0.00 0.00 177.57 174.56 3hox n ARG 247 N -2.87 1.03 -1.47 1.57 1.85 0.26 -5.03 116.66 112.01 3hox n ARG 247 Ca -0.03 -3.12 -0.36 0.00 -1.00 0.00 0.00 57.85 53.34 3hox n ARG 247 Cb 0.67 -1.43 0.08 0.00 -1.05 0.00 0.00 32.46 30.73 3hox n ARG 247 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 3hox n PRO 248 N 0.15 0.66 -0.13 2.89 -0.04 0.16 -4.38 135.00 134.31 3hox n PRO 248 Ca 0.17 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 3hox n PRO 248 Cb 0.72 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.94 3hox n PRO 248 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3hox n SER 249 N -1.45 0.00 -2.79 3.54 3.41 -1.26 -3.99 113.62 111.07 3hox n SER 249 Ca 0.14 -0.64 -0.10 0.00 -0.26 0.00 0.00 58.87 58.01 3hox n SER 249 Cb 0.49 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.48 3hox n SER 249 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3hox n ILE 250 N -1.15 -0.07 -1.86 -1.33 5.41 -0.63 -4.88 119.36 114.86 3hox n ILE 250 Ca 0.00 -1.76 -0.40 0.00 1.00 0.00 0.00 62.75 61.59 3hox n ILE 250 Cb 0.00 1.16 0.01 0.00 -0.71 0.00 0.00 39.64 40.09 3hox n ILE 250 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3hox s SER 251 N -1.64 6.11 -0.99 4.38 1.04 -0.98 -4.07 113.70 117.54 3hox s SER 251 Ca 0.32 2.90 -0.03 0.00 0.48 0.00 0.00 55.95 59.62 3hox s SER 251 Cb 0.23 -2.65 0.28 0.00 0.10 0.00 0.00 66.02 63.98 3hox s SER 251 CO -0.23 -1.01 1.22 0.49 0.98 0.00 0.00 173.24 174.69 3hox n PHE 252 N 0.07 3.21 0.00 5.02 3.01 -1.25 -4.91 117.46 122.61 3hox n PHE 252 Ca 0.04 -3.24 0.00 0.00 1.01 0.00 0.00 57.45 55.25 3hox n PHE 252 Cb 0.41 -1.20 0.00 0.00 -0.01 0.00 0.00 39.48 38.69 3hox n PHE 252 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3hox n ASN 253 N 1.57 0.00 0.00 4.37 2.85 -1.26 -4.65 115.26 118.14 3hox n ASN 253 Ca 0.26 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.73 3hox n ASN 253 Cb 0.36 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.38 3hox n ASN 253 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 3hox n GLU 254 N 0.00 0.00 -1.00 1.20 1.02 -1.26 -5.00 120.64 115.60 3hox n GLU 254 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.11 3hox n GLU 254 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.41 3hox n GLU 254 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3hox n SER 255 N 0.00 -1.22 0.13 1.62 3.41 -1.26 -3.89 113.62 112.41 3hox n SER 255 Ca 0.00 -1.07 0.00 0.00 -0.26 0.00 0.00 58.87 57.54 3hox n SER 255 Cb 0.00 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 3hox n SER 255 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hox n GLN 256 N 4.35 0.00 0.00 4.33 6.02 -1.26 -5.06 117.38 125.76 3hox n GLN 256 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 3hox n GLN 256 Cb 0.37 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.63 3hox n GLN 256 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3hox n ARG 257 N -3.16 0.00 0.00 -1.09 1.74 -1.25 -4.99 116.66 107.91 3hox n ARG 257 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3hox n ARG 257 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3hox n ARG 257 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hox n GLY 258 N 0.00 -0.08 3.40 -0.13 0.00 -1.26 -2.33 105.19 104.79 3hox n GLY 258 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3hox n GLY 258 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hox n GLU 259 N 0.00 0.39 -2.57 1.61 -0.58 -1.26 -1.60 120.64 116.63 3hox n GLU 259 Ca 0.00 0.15 -0.28 0.00 -0.42 0.00 0.00 57.16 56.61 3hox n GLU 259 Cb 0.00 -1.42 -0.00 0.00 -0.57 0.00 0.00 31.44 29.45 3hox n GLU 259 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3hox s ASP 260 N -1.03 6.27 0.18 1.62 -1.08 -1.26 -4.87 116.67 116.50 3hox s ASP 260 Ca 0.63 0.98 -0.14 0.00 -0.52 0.00 0.00 52.55 53.50 3hox s ASP 260 Cb -0.54 -2.27 0.16 0.00 -1.46 0.00 0.00 42.92 38.81 3hox s ASP 260 CO 0.59 -0.60 1.70 0.44 0.52 0.00 0.00 175.17 177.82 3hox h ASP 261 N 0.21 -0.10 -0.53 -0.34 3.45 -1.93 -1.95 116.42 115.23 3hox h ASP 261 Ca -0.47 0.10 -0.01 0.00 0.43 0.00 0.00 57.03 57.08 3hox h ASP 261 Cb 1.20 0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 40.10 3hox h ASP 261 CO 0.62 -0.02 0.27 -0.07 -1.57 0.00 0.00 179.24 178.47 3hox h LEU 262 N 0.16 0.68 -1.92 1.55 3.38 -1.94 -1.36 115.31 115.86 3hox h LEU 262 Ca 0.23 -0.11 0.12 0.00 0.09 0.00 0.00 57.88 58.21 3hox h LEU 262 Cb 0.32 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3hox h LEU 262 CO -0.35 0.59 0.48 0.74 0.09 0.00 0.00 178.44 179.99 3hox h THR 263 N 0.71 0.31 0.00 0.22 2.02 -1.66 -0.67 112.91 113.84 3hox h THR 263 Ca 0.18 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.35 3hox h THR 263 Cb 0.08 0.61 -0.00 0.00 -1.74 0.00 0.00 68.15 67.10 3hox h THR 263 CO -0.03 0.00 -0.26 -0.26 0.37 0.00 0.00 175.52 175.34 3hox h PHE 264 N 0.00 0.00 -1.30 3.16 0.05 -0.99 -3.04 116.94 114.82 3hox h PHE 264 Ca 0.19 0.00 0.38 0.00 3.82 0.00 0.00 57.97 62.36 3hox h PHE 264 Cb 1.14 0.00 -0.09 0.00 2.00 0.00 0.00 35.95 39.00 3hox h PHE 264 CO 0.00 0.12 0.89 -0.22 -0.18 0.00 0.00 178.31 178.91 3hox h LYS 265 N -1.00 0.12 0.40 1.51 1.63 -0.70 0.86 116.57 119.39 3hox h LYS 265 Ca -0.02 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.76 3hox h LYS 265 Cb 0.31 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 3hox h LYS 265 CO -0.01 0.08 -0.19 -0.07 -3.45 0.00 0.00 179.45 175.81 3hox h LEU 266 N 0.13 -0.46 -1.28 5.20 3.38 -1.28 -0.65 115.31 120.36 3hox h LEU 266 Ca 0.70 0.02 0.46 0.00 0.09 0.00 0.00 57.88 59.15 3hox h LEU 266 Cb 2.37 0.12 -0.15 0.00 0.09 0.00 0.00 40.66 43.09 3hox h LEU 266 CO -0.20 -0.10 0.79 0.00 0.09 0.00 0.00 178.44 179.02 3hox n ALA 267 N -2.62 1.28 0.29 1.53 0.00 0.21 0.64 120.51 121.84 3hox n ALA 267 Ca -0.07 0.92 -0.12 0.00 0.00 0.00 0.00 53.44 54.17 3hox n ALA 267 Cb 0.21 -1.05 -0.06 0.00 0.00 0.00 0.00 19.45 18.55 3hox n ALA 267 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3hox h ASP 268 N 0.00 -0.64 -0.77 0.00 5.19 0.61 -1.56 116.42 119.25 3hox h ASP 268 Ca 0.88 0.02 0.17 0.00 -0.62 0.00 0.00 57.03 57.48 3hox h ASP 268 Cb 2.68 0.17 -0.14 0.00 0.18 0.00 0.00 39.33 42.22 3hox h ASP 268 CO -0.56 -0.41 -0.07 0.40 -3.12 0.00 0.00 179.24 175.48 3hox h ILE 269 N -0.86 0.28 0.26 0.35 2.04 0.18 -0.49 117.51 119.27 3hox h ILE 269 Ca -0.08 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 65.77 3hox h ILE 269 Cb 0.58 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 3hox h ILE 269 CO 0.13 0.01 -0.47 0.25 0.00 0.00 0.00 178.15 178.07 3hox h LEU 270 N 0.05 -1.34 -0.22 1.44 5.85 -0.44 0.07 115.31 120.72 3hox h LEU 270 Ca 0.40 0.13 0.06 0.00 0.84 0.00 0.00 57.88 59.31 3hox h LEU 270 Cb 0.68 0.48 -0.07 0.00 0.37 0.00 0.00 40.66 42.12 3hox h LEU 270 CO -0.72 -0.56 -0.35 0.11 -0.34 0.00 0.00 178.44 176.57 3hox h LYS 271 N -0.80 -0.36 -0.70 1.25 1.57 -0.14 0.48 116.57 117.88 3hox h LYS 271 Ca -0.01 0.02 0.20 0.00 -1.87 0.00 0.00 60.65 58.98 3hox h LYS 271 Cb 0.76 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.12 3hox h LYS 271 CO -0.18 -0.24 0.50 0.00 -0.57 0.00 0.00 179.45 178.96 3hox h ALA 272 N 0.45 2.59 0.18 3.86 0.00 -0.83 -0.06 119.26 125.46 3hox h ALA 272 Ca 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3hox h ALA 272 Cb 0.56 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3hox h ALA 272 CO -0.43 -0.79 -0.09 -0.97 0.00 0.00 0.00 179.25 176.97 3hox h ASN 273 N 0.05 -0.21 -0.80 0.00 -1.24 0.11 -2.79 115.58 110.69 3hox h ASN 273 Ca 0.33 0.01 0.16 0.00 0.71 0.00 0.00 56.30 57.52 3hox h ASN 273 Cb 1.27 0.05 -0.15 0.00 0.73 0.00 0.00 38.32 40.22 3hox h ASN 273 CO -0.02 0.14 -0.19 0.40 -1.29 0.00 0.00 177.43 176.47 3hox h ILE 274 N -0.83 0.20 -0.25 2.57 2.04 -0.71 0.28 117.51 120.82 3hox h ILE 274 Ca -0.03 -0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.86 3hox h ILE 274 Cb 0.19 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.43 3hox h ILE 274 CO 0.04 0.00 -0.22 -1.28 0.00 0.00 0.00 178.15 176.69 3hox h SER 275 N 0.01 -0.76 0.00 1.72 0.87 -1.10 -1.58 113.55 112.70 3hox h SER 275 Ca 0.39 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 61.06 3hox h SER 275 Cb 0.61 0.32 0.00 0.00 -0.44 0.00 0.00 62.40 62.89 3hox h SER 275 CO -0.82 -0.13 0.00 -0.11 -0.53 0.00 0.00 176.83 175.24 3hox n LEU 276 N -3.78 0.00 -0.45 2.23 7.94 0.04 -1.67 117.00 121.31 3hox n LEU 276 Ca -0.01 0.71 0.38 0.00 -1.11 0.00 0.00 56.01 55.98 3hox n LEU 276 Cb 0.12 -0.21 0.64 0.00 0.53 0.00 0.00 43.42 44.50 3hox n LEU 276 CO -0.02 -0.21 1.15 1.21 -1.11 0.00 0.00 177.39 178.41 3hox n GLU 277 N -1.73 -0.03 0.11 1.96 2.13 -0.93 0.22 120.64 122.36 3hox n GLU 277 Ca 0.00 1.17 0.12 0.00 0.66 0.00 0.00 57.16 59.11 3hox n GLU 277 Cb 0.00 -2.31 0.45 0.00 0.27 0.00 0.00 31.44 29.85 3hox n GLU 277 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 3hox n THR 278 N -4.56 0.67 0.02 6.31 -1.04 -0.60 -1.09 114.28 113.99 3hox n THR 278 Ca 0.38 -0.05 -0.05 0.00 -2.04 0.00 0.00 64.05 62.30 3hox n THR 278 Cb 1.48 -0.82 -0.10 0.00 -1.82 0.00 0.00 70.33 69.06 3hox n THR 278 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3hox h LEU 279 N 0.00 0.00 0.06 -4.42 3.38 0.30 -3.13 115.31 111.49 3hox h LEU 279 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hox h LEU 279 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3hox h LEU 279 CO 0.00 0.82 -0.03 -0.33 0.09 0.00 0.00 178.44 179.00 3hox h GLU 280 N 0.00 -0.07 -0.11 1.13 5.08 -1.17 -2.95 114.58 116.49 3hox h GLU 280 Ca -0.17 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.22 3hox h GLU 280 Cb 1.78 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 31.04 3hox h GLU 280 CO 0.08 0.16 0.34 1.25 -1.00 0.00 0.00 179.01 179.84 3hox h HIS 281 N -1.00 0.00 -1.74 4.33 2.76 -1.29 -3.43 115.15 114.77 3hox h HIS 281 Ca -0.01 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 3hox h HIS 281 Cb 0.26 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.22 3hox h HIS 281 CO 0.06 0.00 0.00 0.09 -1.30 0.00 0.00 177.93 176.78 3hox n ASN 282 N -3.15 0.56 -4.55 3.26 5.03 -1.18 -5.00 115.26 110.22 3hox n ASN 282 Ca 0.00 0.00 -0.32 0.00 0.87 0.00 0.00 54.58 55.14 3hox n ASN 282 Cb 0.43 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 39.15 3hox n ASN 282 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hox n GLY 283 N 5.00 0.10 3.40 7.41 0.00 -1.25 -4.87 105.19 114.97 3hox n GLY 283 Ca 0.00 0.59 -0.45 0.00 0.00 0.00 0.00 46.02 46.16 3hox n GLY 283 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hox s ALA 284 N 12.66 3.93 -0.33 4.61 0.00 -1.12 -4.81 121.76 136.70 3hox s ALA 284 Ca 0.98 -3.23 -0.16 0.00 0.00 0.00 0.00 51.96 49.55 3hox s ALA 284 Cb -0.19 -3.82 -0.17 0.00 0.00 0.00 0.00 23.12 18.93 3hox s ALA 284 CO 0.23 -2.60 1.59 -0.35 0.00 0.00 0.00 175.76 174.63 3hox n PRO 285 N 4.96 0.69 0.00 0.00 -0.04 -1.26 -4.74 135.00 134.61 3hox n PRO 285 Ca 0.23 -1.13 0.00 0.00 -0.04 0.00 0.00 63.50 62.56 3hox n PRO 285 Cb 0.46 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 3hox n PRO 285 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3hox n HIS 286 N 6.76 0.00 -3.00 0.54 8.25 -1.26 -0.41 115.22 126.10 3hox n HIS 286 Ca 0.34 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.54 3hox n HIS 286 Cb 0.25 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.32 3hox n HIS 286 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3hox n HIS 287 N 0.00 3.75 -0.16 4.41 8.25 -1.26 -4.00 115.22 126.21 3hox n HIS 287 Ca 0.00 -4.00 0.00 0.00 -0.26 0.00 0.00 57.72 53.46 3hox n HIS 287 Cb 0.00 -0.49 0.00 0.00 1.12 0.00 0.00 29.99 30.62 3hox n HIS 287 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hox n ALA 288 N -0.10 0.00 -0.06 -1.41 0.00 0.45 -4.61 120.51 114.79 3hox n ALA 288 Ca 0.30 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.60 3hox n ALA 288 Cb 0.41 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.73 3hox n ALA 288 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3hox h ILE 289 N 0.00 1.75 0.00 0.00 2.10 -1.69 -3.22 117.51 116.45 3hox h ILE 289 Ca 0.00 -2.28 0.00 0.00 1.08 0.00 0.00 64.86 63.66 3hox h ILE 289 Cb 0.00 3.29 0.00 0.00 -1.09 0.00 0.00 36.82 39.02 3hox h ILE 289 CO 0.00 0.60 0.00 -1.84 -1.08 0.00 0.00 178.15 175.83 3hox n GLU 290 N -4.59 0.29 0.00 2.19 -0.00 -1.26 -1.32 120.64 115.95 3hox n GLU 290 Ca -0.10 0.05 0.14 0.00 -0.00 0.00 0.00 57.16 57.24 3hox n GLU 290 Cb 0.49 -1.50 0.75 0.00 -0.00 0.00 0.00 31.44 31.18 3hox n GLU 290 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3hox n GLU 291 N -1.33 0.61 0.00 3.44 1.02 -1.22 -2.60 120.64 120.56 3hox n GLU 291 Ca 0.11 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 3hox n GLU 291 Cb 0.22 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 3hox n GLU 291 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hox n ALA 292 N -1.16 1.65 -0.17 0.62 0.00 -0.44 -4.62 120.51 116.40 3hox n ALA 292 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.51 3hox n ALA 292 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.61 3hox n ALA 292 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3hox h GLU 293 N 0.00 0.84 -0.73 0.00 4.81 -1.10 -2.59 114.58 115.81 3hox h GLU 293 Ca 0.00 -0.25 0.08 0.00 -0.13 0.00 0.00 59.36 59.06 3hox h GLU 293 Cb 0.00 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.25 3hox h GLU 293 CO 0.00 0.86 0.48 0.77 -0.73 0.00 0.00 179.01 180.39 3hox h SER 294 N 0.70 0.60 -0.08 1.04 0.02 -1.77 -2.04 113.55 112.02 3hox h SER 294 Ca 0.14 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.14 3hox h SER 294 Cb 0.46 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.85 3hox h SER 294 CO 0.02 0.37 -0.13 0.25 -1.14 0.00 0.00 176.83 176.20 3hox h LEU 295 N 0.68 -0.40 -0.31 5.07 5.85 -1.72 -0.98 115.31 123.50 3hox h LEU 295 Ca 0.33 0.07 0.07 0.00 0.84 0.00 0.00 57.88 59.19 3hox h LEU 295 Cb 0.39 0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.53 3hox h LEU 295 CO -0.11 -0.18 -0.29 0.25 -0.34 0.00 0.00 178.44 177.77 3hox h LEU 296 N -0.18 -0.93 -1.71 2.25 5.85 -1.39 0.43 115.31 119.62 3hox h LEU 296 Ca 0.07 0.16 0.24 0.00 0.84 0.00 0.00 57.88 59.19 3hox h LEU 296 Cb 0.29 0.44 -0.06 0.00 0.37 0.00 0.00 40.66 41.70 3hox h LEU 296 CO -0.19 -0.31 0.63 -0.61 -0.34 0.00 0.00 178.44 177.62 3hox h GLN 297 N -0.26 0.22 0.00 1.25 5.75 -1.19 -0.05 115.11 120.82 3hox h GLN 297 Ca 0.15 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.64 3hox h GLN 297 Cb 0.51 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.01 3hox h GLN 297 CO -0.46 0.14 0.00 0.34 -2.65 0.00 0.00 178.83 176.21 3hox n PHE 298 N -4.42 0.00 -0.24 3.99 7.35 0.14 -1.72 117.46 122.57 3hox n PHE 298 Ca 0.20 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.84 3hox n PHE 298 Cb 0.84 -0.32 0.01 0.00 0.35 0.00 0.00 39.48 40.35 3hox n PHE 298 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3hox h HIS 299 N 0.00 -1.02 0.00 -5.13 3.86 -0.95 0.95 115.15 112.86 3hox h HIS 299 Ca 0.00 0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 3hox h HIS 299 Cb 0.00 0.54 0.00 0.00 1.06 0.00 0.00 27.41 29.01 3hox h HIS 299 CO 0.11 -0.39 0.07 0.28 0.86 0.00 0.00 177.93 178.85 3hox h VAL 300 N -0.14 0.00 0.00 2.45 2.07 -1.12 0.56 116.25 120.07 3hox h VAL 300 Ca 0.25 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.62 3hox h VAL 300 Cb 0.56 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 3hox h VAL 300 CO -0.74 0.00 -0.97 0.00 0.02 0.00 0.00 177.57 175.88 3hox h ALA 301 N 1.86 0.17 0.00 1.67 0.00 0.14 -3.37 119.26 119.73 3hox h ALA 301 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 53.97 3hox h ALA 301 Cb 0.13 0.64 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3hox h ALA 301 CO 0.00 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.87 3hox h THR 302 N -1.00 0.00 0.00 0.00 1.03 0.89 -0.41 112.91 113.41 3hox h THR 302 Ca -0.22 -0.11 -0.13 0.00 -0.01 0.00 0.00 66.41 65.94 3hox h THR 302 Cb 1.00 0.77 -0.02 0.00 -1.07 0.00 0.00 68.15 68.84 3hox h THR 302 CO -0.13 0.00 -0.62 0.22 -0.01 0.00 0.00 175.52 174.98 3hox h TYR 303 N 0.00 0.00 0.02 0.00 3.20 -0.06 -3.30 116.97 116.83 3hox h TYR 303 Ca 0.00 0.00 -0.35 0.00 3.14 0.00 0.00 58.73 61.52 3hox h TYR 303 Cb 0.15 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.37 3hox h TYR 303 CO 0.00 0.62 -1.93 -1.33 -1.64 0.00 0.00 178.16 173.88 3hox n MET 304 N -3.46 0.62 -4.25 1.82 2.81 -0.81 -2.79 117.12 111.05 3hox n MET 304 Ca 0.00 0.38 -0.20 0.00 -1.81 0.00 0.00 57.70 56.07 3hox n MET 304 Cb 0.70 -1.64 -0.16 0.00 -0.71 0.00 0.00 33.22 31.41 3hox n MET 304 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3hox s ASP 305 N -7.05 1.01 -0.09 7.83 -1.08 -0.23 -0.65 116.67 116.42 3hox s ASP 305 Ca -0.32 -0.15 0.12 0.00 -0.52 0.00 0.00 52.55 51.69 3hox s ASP 305 Cb 0.09 -0.40 0.22 0.00 -1.46 0.00 0.00 42.92 41.38 3hox s ASP 305 CO 0.59 -0.00 1.11 -3.20 0.52 0.00 0.00 175.17 174.19 3hox n ASN 306 N 3.71 1.40 -2.34 -0.34 5.15 -1.25 -3.21 115.26 118.39 3hox n ASN 306 Ca -0.22 -2.75 -0.18 0.00 -0.60 0.00 0.00 54.58 50.83 3hox n ASN 306 Cb 0.52 -0.36 0.02 0.00 -0.53 0.00 0.00 39.78 39.44 3hox n ASN 306 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 3hox n ASP 307 N -0.77 3.86 -4.82 1.20 8.00 -1.26 -4.82 116.55 117.94 3hox n ASP 307 Ca 0.10 -3.28 -0.30 0.00 0.71 0.00 0.00 54.79 52.03 3hox n ASP 307 Cb 0.71 -0.41 0.10 0.00 -0.02 0.00 0.00 41.12 41.50 3hox n ASP 307 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hox s ILE 308 N -4.48 2.75 0.10 0.53 1.01 -1.26 -5.02 121.20 114.83 3hox s ILE 308 Ca 0.43 0.24 -0.16 0.00 0.00 0.00 0.00 60.65 61.17 3hox s ILE 308 Cb 0.39 -3.04 -0.06 0.00 0.01 0.00 0.00 42.46 39.77 3hox s ILE 308 CO -0.02 -0.32 1.50 0.00 0.00 0.00 0.00 174.94 176.10 3hox h ALA 309 N -1.15 0.44 -0.18 9.38 0.00 -2.00 -3.34 119.26 122.42 3hox h ALA 309 Ca -0.48 -0.30 -0.57 0.00 0.00 0.00 0.00 54.91 53.56 3hox h ALA 309 Cb 1.29 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.98 3hox h ALA 309 CO 0.61 0.29 2.02 0.41 0.00 0.00 0.00 179.25 182.58 3hox n GLY 310 N -0.15 2.28 0.00 0.00 0.00 -1.26 -4.86 105.19 101.20 3hox n GLY 310 Ca -0.03 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.85 3hox n GLY 310 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hox n GLN 311 N 7.36 0.00 0.00 1.61 6.02 -1.26 -4.74 117.38 126.38 3hox n GLN 311 Ca 0.48 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.47 3hox n GLN 311 Cb 0.42 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.68 3hox n GLN 311 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 3hox n PRO 312 N -0.15 0.00 0.00 -1.09 -0.02 -1.26 -4.61 135.00 127.87 3hox n PRO 312 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3hox n PRO 312 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3hox n PRO 312 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3hox n GLN 313 N 0.00 0.00 -3.27 -0.52 1.13 -1.26 -4.76 117.38 108.69 3hox n GLN 313 Ca 0.00 0.15 -0.07 0.00 -1.94 0.00 0.00 57.00 55.14 3hox n GLN 313 Cb 0.00 -1.79 0.00 0.00 0.11 0.00 0.00 30.24 28.56 3hox n GLN 313 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hox n ALA 314 N -1.12 -2.59 -1.74 -1.58 0.00 -1.26 -4.83 120.51 107.38 3hox n ALA 314 Ca 0.00 -0.08 -0.31 0.00 0.00 0.00 0.00 53.44 53.05 3hox n ALA 314 Cb 0.29 -1.32 0.02 0.00 0.00 0.00 0.00 19.45 18.45 3hox n ALA 314 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hox s LEU 315 N -4.30 3.27 -0.01 0.00 1.43 -1.26 -4.54 118.68 113.27 3hox s LEU 315 Ca 0.01 1.54 -0.03 0.00 -1.03 0.00 0.00 54.13 54.62 3hox s LEU 315 Cb -0.00 -4.49 -0.04 0.00 0.03 0.00 0.00 46.19 41.69 3hox s LEU 315 CO 0.79 -1.06 0.17 -1.58 0.23 0.00 0.00 176.35 174.90 3hox s GLN 316 N -4.90 3.39 -0.45 1.70 0.74 0.97 -4.91 119.66 116.21 3hox s GLN 316 Ca 0.57 -0.34 -0.40 0.00 0.05 0.00 0.00 55.36 55.25 3hox s GLN 316 Cb -0.12 -3.07 -0.17 0.00 1.10 0.00 0.00 33.01 30.74 3hox s GLN 316 CO 0.50 0.68 1.88 0.36 -0.55 0.00 0.00 175.29 178.16 3hox n LYS 317 N 1.00 0.00 0.00 1.67 -0.00 -1.26 -0.63 118.16 118.94 3hox n LYS 317 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.20 3hox n LYS 317 Cb 0.53 -1.35 0.00 0.00 -0.00 0.00 0.00 35.03 34.20 3hox n LYS 317 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 3hox n SER 318 N 6.43 0.00 0.00 -5.58 3.41 -1.26 -4.77 113.62 111.85 3hox n SER 318 Ca 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 3hox n SER 318 Cb -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 3hox n SER 318 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hox n GLY 319 N 0.00 3.26 3.66 5.00 0.00 0.20 -5.03 105.19 112.28 3hox n GLY 319 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3hox n GLY 319 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hox s ARG 320 N -0.52 4.14 0.12 1.61 3.00 -1.23 -4.52 118.95 121.55 3hox s ARG 320 Ca 0.00 2.61 -0.23 0.00 -1.00 0.00 0.00 55.73 57.11 3hox s ARG 320 Cb 0.00 -4.15 -0.05 0.00 0.00 0.00 0.00 34.95 30.75 3hox s ARG 320 CO 0.00 -0.95 1.31 -2.30 0.00 0.00 0.00 175.30 173.36 3hox n PRO 321 N 7.50 -0.33 0.00 5.12 -0.02 -1.26 -0.02 135.00 145.99 3hox n PRO 321 Ca 0.20 1.29 0.00 0.00 -2.02 0.00 0.00 63.50 62.97 3hox n PRO 321 Cb 0.41 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 3hox n PRO 321 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3hox n VAL 322 N -4.72 0.00 -1.67 -1.45 3.14 -1.26 -3.80 118.33 108.57 3hox n VAL 322 Ca 0.01 0.00 -0.48 0.00 -2.96 0.00 0.00 64.34 60.92 3hox n VAL 322 Cb 0.19 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 32.93 3hox n VAL 322 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 3hox n LYS 323 N 0.82 2.05 -2.44 1.45 4.01 -1.26 -4.87 118.16 117.91 3hox n LYS 323 Ca 0.00 0.74 -0.24 0.00 -0.51 0.00 0.00 58.31 58.30 3hox n LYS 323 Cb 0.00 -2.53 0.05 0.00 -0.51 0.00 0.00 35.03 32.04 3hox n LYS 323 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 3hox s SER 324 N 2.26 5.16 0.07 4.39 1.04 -1.26 -4.76 113.70 120.59 3hox s SER 324 Ca 0.86 0.30 -0.23 0.00 0.48 0.00 0.00 55.95 57.36 3hox s SER 324 Cb -0.72 -1.12 -0.15 0.00 0.10 0.00 0.00 66.02 64.13 3hox s SER 324 CO 0.45 -1.30 1.62 0.40 0.98 0.00 0.00 173.24 175.40 3hox h ILE 325 N -0.23 1.11 -0.82 -1.02 2.04 -1.26 -1.08 117.51 116.26 3hox h ILE 325 Ca -0.44 -0.32 0.24 0.00 1.00 0.00 0.00 64.86 65.34 3hox h ILE 325 Cb 1.30 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 38.60 3hox h ILE 325 CO 0.57 0.09 0.71 -0.09 0.00 0.00 0.00 178.15 179.43 3hox h ARG 326 N -0.07 0.00 0.07 2.37 2.43 -1.19 0.45 114.38 118.45 3hox h ARG 326 Ca 0.01 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3hox h ARG 326 Cb 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3hox h ARG 326 CO -0.00 0.00 -0.03 0.00 -1.51 0.00 0.00 179.97 178.42 3hox h ALA 327 N 1.36 -0.10 -0.96 2.80 0.00 -1.42 -2.61 119.26 118.33 3hox h ALA 327 Ca 0.39 -0.12 0.24 0.00 0.00 0.00 0.00 54.91 55.41 3hox h ALA 327 Cb 1.80 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 19.56 3hox h ALA 327 CO -0.00 -0.44 0.64 0.00 0.00 0.00 0.00 179.25 179.45 3hox h ARG 328 N -0.32 0.30 0.00 0.00 3.08 0.14 -2.60 114.38 114.98 3hox h ARG 328 Ca -0.01 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 3hox h ARG 328 Cb 0.28 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 3hox h ARG 328 CO 0.02 0.20 -1.48 1.28 -1.07 0.00 0.00 179.97 178.92 3hox n LEU 329 N -4.48 0.58 -4.55 3.04 4.77 -1.16 -0.82 117.00 114.38 3hox n LEU 329 Ca 0.21 0.24 -0.52 0.00 -0.03 0.00 0.00 56.01 55.91 3hox n LEU 329 Cb 0.83 0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.91 3hox n LEU 329 CO 0.31 0.01 0.66 1.17 -1.33 0.00 0.00 177.39 178.21 3hox n LYS 330 N -2.64 0.79 -1.02 3.23 4.81 -0.98 -4.00 118.16 118.34 3hox n LYS 330 Ca -0.06 0.28 -0.34 0.00 -0.87 0.00 0.00 58.31 57.32 3hox n LYS 330 Cb 0.69 -1.77 0.02 0.00 0.02 0.00 0.00 35.03 33.99 3hox n LYS 330 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hox n GLY 331 N 2.01 -3.50 1.88 3.14 0.00 -1.26 -3.17 105.19 104.29 3hox n GLY 331 Ca 0.17 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3hox n GLY 331 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hox n LYS 332 N 1.76 -4.77 0.00 1.61 3.00 -1.26 -3.96 118.16 114.54 3hox n LYS 332 Ca 0.03 3.45 0.00 0.00 -0.00 0.00 0.00 58.31 61.79 3hox n LYS 332 Cb 0.46 -3.87 0.00 0.00 0.00 0.00 0.00 35.03 31.62 3hox n LYS 332 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3hox n GLU 333 N 0.43 0.00 -1.60 1.64 -0.58 -1.26 -4.77 120.64 114.49 3hox n GLU 333 Ca 0.00 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.45 3hox n GLU 333 Cb 0.00 -3.12 0.11 0.00 -0.57 0.00 0.00 31.44 27.85 3hox n GLU 333 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3hox s GLY 334 N -1.53 1.60 0.25 0.62 0.00 -1.19 -4.59 107.32 102.48 3hox s GLY 334 Ca 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 44.72 44.29 3hox s GLY 334 CO 0.00 0.09 1.73 -0.09 0.00 0.00 0.00 173.10 174.83 3hox h ARG 335 N -1.22 0.44 0.00 2.90 9.65 -1.11 0.48 114.38 125.52 3hox h ARG 335 Ca -0.48 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.37 3hox h ARG 335 Cb 1.30 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.78 3hox h ARG 335 CO 0.61 0.29 0.00 -0.89 2.80 0.00 0.00 179.97 182.78 3hox n ILE 336 N -4.99 0.00 -0.29 1.20 2.08 -1.26 -2.63 119.36 113.46 3hox n ILE 336 Ca 0.15 0.60 0.13 0.00 0.56 0.00 0.00 62.75 64.19 3hox n ILE 336 Cb 0.42 -1.44 0.38 0.00 -0.75 0.00 0.00 39.64 38.24 3hox n ILE 336 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 3hox h ARG 337 N 0.00 0.67 -0.23 0.38 2.47 -1.83 -0.51 114.38 115.33 3hox h ARG 337 Ca 0.00 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 3hox h ARG 337 Cb 0.00 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.17 3hox h ARG 337 CO 0.00 0.44 0.00 0.41 0.56 0.00 0.00 179.97 181.38 3hox n GLY 338 N -1.42 3.13 0.00 0.04 0.00 0.17 -3.99 105.19 103.13 3hox n GLY 338 Ca 0.19 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3hox n GLY 338 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hox n ASN 339 N 0.01 1.93 -0.10 1.61 3.02 -0.97 -4.58 115.26 116.17 3hox n ASN 339 Ca 0.10 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.46 3hox n ASN 339 Cb 0.46 0.10 -0.08 0.00 -0.61 0.00 0.00 39.78 39.66 3hox n ASN 339 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3hox n LEU 340 N -1.57 1.77 0.00 3.41 4.77 -0.79 -4.42 117.00 120.17 3hox n LEU 340 Ca 0.00 0.17 0.10 0.00 -0.03 0.00 0.00 56.01 56.25 3hox n LEU 340 Cb 0.22 -0.61 0.50 0.00 -2.33 0.00 0.00 43.42 41.20 3hox n LEU 340 CO 0.00 0.51 0.83 0.23 -1.33 0.00 0.00 177.39 177.63 3hox n MET 341 N -3.70 0.19 -3.62 3.23 2.81 -0.27 -4.67 117.12 111.09 3hox n MET 341 Ca -0.38 0.11 -0.07 0.00 -1.81 0.00 0.00 57.70 55.54 3hox n MET 341 Cb 0.80 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.75 3hox n MET 341 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3hox s GLY 342 N -2.73 -0.07 0.21 3.03 0.00 -1.26 -5.01 107.32 101.51 3hox s GLY 342 Ca 0.16 2.62 -0.22 0.00 0.00 0.00 0.00 44.72 47.28 3hox s GLY 342 CO 0.34 1.46 0.70 -1.59 0.00 0.00 0.00 173.10 174.01 3hox s LYS 343 N -0.47 1.51 0.41 2.90 -2.85 -1.26 -2.30 119.74 117.67 3hox s LYS 343 Ca 0.03 -0.74 -0.25 0.00 -1.00 0.00 0.00 55.97 54.02 3hox s LYS 343 Cb -0.03 0.58 -0.08 0.00 -2.06 0.00 0.00 37.83 36.24 3hox s LYS 343 CO -0.05 -0.68 1.13 1.03 0.10 0.00 0.00 175.35 176.88 3hox s ARG 344 N -3.77 4.06 0.06 1.78 0.52 -1.26 -5.04 118.95 115.29 3hox s ARG 344 Ca 0.07 1.73 0.01 0.00 -0.52 0.00 0.00 55.73 57.01 3hox s ARG 344 Cb -0.04 -2.61 -0.03 0.00 0.52 0.00 0.00 34.95 32.79 3hox s ARG 344 CO -0.02 -0.28 -0.05 0.14 0.02 0.00 0.00 175.30 175.11 3hox s VAL 345 N -1.50 0.41 0.87 3.52 -7.23 -1.26 -5.16 120.40 110.05 3hox s VAL 345 Ca 0.58 -1.58 -0.13 0.00 -1.81 0.00 0.00 61.98 59.03 3hox s VAL 345 Cb -0.28 -1.22 0.12 0.00 0.56 0.00 0.00 36.38 35.56 3hox s VAL 345 CO 0.35 -0.78 1.20 -1.81 -0.31 0.00 0.00 175.10 173.75 3hox s ASP 346 N -2.50 3.95 -1.00 4.85 1.01 -1.26 -4.43 116.67 117.29 3hox s ASP 346 Ca 0.02 0.71 -0.14 0.00 0.71 0.00 0.00 52.55 53.86 3hox s ASP 346 Cb 0.01 -1.13 0.00 0.00 1.01 0.00 0.00 42.92 42.81 3hox s ASP 346 CO -0.05 -2.25 0.71 0.49 0.21 0.00 0.00 175.17 174.28 3hox n PHE 347 N -3.53 -2.04 -3.80 4.23 3.01 -1.26 -4.86 117.46 109.21 3hox n PHE 347 Ca 0.09 0.61 -0.11 0.00 1.01 0.00 0.00 57.45 59.05 3hox n PHE 347 Cb 0.60 -3.27 -0.08 0.00 -0.01 0.00 0.00 39.48 36.72 3hox n PHE 347 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3hox s SER 348 N -3.27 -0.07 0.13 4.37 1.04 -1.26 -2.28 113.70 112.37 3hox s SER 348 Ca 0.28 -0.20 -0.13 0.00 0.48 0.00 0.00 55.95 56.38 3hox s SER 348 Cb -0.11 0.31 0.01 0.00 0.10 0.00 0.00 66.02 66.33 3hox s SER 348 CO 0.87 -0.54 0.34 0.00 0.98 0.00 0.00 173.24 174.88 3hox s ALA 349 N -2.21 -0.54 -0.29 5.32 0.00 0.57 -4.96 121.76 119.65 3hox s ALA 349 Ca -0.08 -0.41 -0.18 0.00 0.00 0.00 0.00 51.96 51.30 3hox s ALA 349 Cb -0.02 0.70 0.12 0.00 0.00 0.00 0.00 23.12 23.91 3hox s ALA 349 CO -0.02 -0.63 0.89 0.50 0.00 0.00 0.00 175.76 176.51 3hox s ARG 350 N -3.87 0.50 0.00 0.00 3.52 -1.26 0.64 118.95 118.49 3hox s ARG 350 Ca 0.07 0.82 0.00 0.00 -0.13 0.00 0.00 55.73 56.50 3hox s ARG 350 Cb 0.03 0.13 0.00 0.00 -1.56 0.00 0.00 34.95 33.54 3hox s ARG 350 CO -0.08 -0.10 0.00 0.25 -0.81 0.00 0.00 175.30 174.56 3hox n THR 351 N 3.64 0.00 -2.88 4.11 -2.24 -1.22 -4.97 114.28 110.71 3hox n THR 351 Ca -0.18 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.20 3hox n THR 351 Cb 0.58 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.76 3hox n THR 351 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3hox s VAL 352 N -2.25 4.57 0.09 2.28 1.01 -1.26 -2.61 120.40 122.24 3hox s VAL 352 Ca 0.00 1.82 -0.03 0.00 0.00 0.00 0.00 61.98 63.77 3hox s VAL 352 Cb 0.00 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 3hox s VAL 352 CO 0.00 0.38 0.29 0.27 0.00 0.00 0.00 175.10 176.04 3hox s ILE 353 N -0.23 5.27 -0.13 2.22 -4.36 -0.80 -1.94 121.20 121.23 3hox s ILE 353 Ca 0.41 -0.13 -0.07 0.00 -0.26 0.00 0.00 60.65 60.60 3hox s ILE 353 Cb -0.22 -3.62 0.05 0.00 1.25 0.00 0.00 42.46 39.92 3hox s ILE 353 CO 0.26 0.11 0.31 -0.94 0.24 0.00 0.00 174.94 174.93 3hox s SER 354 N -2.39 -0.31 0.60 4.36 1.04 -0.54 -4.73 113.70 111.73 3hox s SER 354 Ca 0.37 0.68 -0.20 0.00 0.48 0.00 0.00 55.95 57.29 3hox s SER 354 Cb -0.13 0.60 -0.03 0.00 0.10 0.00 0.00 66.02 66.57 3hox s SER 354 CO 0.25 -0.18 1.29 0.61 0.98 0.00 0.00 173.24 176.19 3hox n GLY 355 N 4.38 0.56 2.68 7.32 0.00 -1.26 -3.39 105.19 115.47 3hox n GLY 355 Ca -0.22 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 3hox n GLY 355 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hox s ASP 356 N -1.17 1.89 0.00 1.61 -1.08 -0.95 -4.88 116.67 112.08 3hox s ASP 356 Ca 0.78 -0.43 0.00 0.00 -0.52 0.00 0.00 52.55 52.38 3hox s ASP 356 Cb -0.40 0.05 0.00 0.00 -1.46 0.00 0.00 42.92 41.11 3hox s ASP 356 CO 0.45 -0.34 0.86 -0.81 0.52 0.00 0.00 175.17 175.85 3hox n PRO 357 N 5.30 0.68 -0.11 4.34 -0.04 -1.26 -2.98 135.00 140.93 3hox n PRO 357 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 3hox n PRO 357 Cb 0.49 -1.16 0.01 0.00 -0.04 0.00 0.00 33.50 32.80 3hox n PRO 357 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3hox n ASN 358 N 0.93 0.40 -4.37 3.54 3.02 -1.26 -4.74 115.26 112.78 3hox n ASN 358 Ca 0.00 -1.45 -0.32 0.00 -0.03 0.00 0.00 54.58 52.78 3hox n ASN 358 Cb 0.34 -0.06 -0.15 0.00 -0.61 0.00 0.00 39.78 39.30 3hox n ASN 358 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3hox s LEU 359 N -0.28 2.52 0.23 3.41 1.43 -1.16 -5.08 118.68 119.75 3hox s LEU 359 Ca 0.02 -0.35 -0.31 0.00 -1.03 0.00 0.00 54.13 52.46 3hox s LEU 359 Cb 0.01 -1.52 -0.14 0.00 0.03 0.00 0.00 46.19 44.57 3hox s LEU 359 CO 0.00 0.24 1.25 -0.62 0.23 0.00 0.00 176.35 177.46 3hox n GLU 360 N 2.98 1.64 -0.18 1.70 -0.58 -1.26 -4.60 120.64 120.34 3hox n GLU 360 Ca -0.18 0.58 -0.05 0.00 -0.42 0.00 0.00 57.16 57.10 3hox n GLU 360 Cb 0.52 -2.13 -0.04 0.00 -0.57 0.00 0.00 31.44 29.22 3hox n GLU 360 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3hox n LEU 361 N 1.84 -0.46 0.00 -4.62 7.94 -1.26 0.10 117.00 120.54 3hox n LEU 361 Ca 0.12 0.81 0.01 0.00 -1.11 0.00 0.00 56.01 55.84 3hox n LEU 361 Cb 0.30 -0.12 0.09 0.00 0.53 0.00 0.00 43.42 44.22 3hox n LEU 361 CO 0.62 -0.65 0.39 -0.90 -1.11 0.00 0.00 177.39 175.74 3hox n ASP 362 N -4.44 0.00 -4.21 1.96 3.85 -1.26 -4.35 116.55 108.10 3hox n ASP 362 Ca 0.01 -1.21 -0.18 0.00 -0.71 0.00 0.00 54.79 52.69 3hox n ASP 362 Cb 0.11 0.00 0.09 0.00 -1.35 0.00 0.00 41.12 39.97 3hox n ASP 362 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3hox n GLN 363 N -0.57 0.18 -3.40 0.11 6.02 0.12 -0.27 117.38 119.57 3hox n GLN 363 Ca 0.02 -2.35 0.01 0.00 -0.01 0.00 0.00 57.00 54.67 3hox n GLN 363 Cb 0.01 -0.46 -0.03 0.00 1.02 0.00 0.00 30.24 30.78 3hox n GLN 363 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3hox s VAL 364 N -2.39 -0.98 -0.07 5.09 0.11 -0.70 -4.56 120.40 116.90 3hox s VAL 364 Ca 0.54 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.30 3hox s VAL 364 Cb -0.03 -0.99 -0.05 0.00 -1.53 0.00 0.00 36.38 33.78 3hox s VAL 364 CO 0.35 -0.00 1.61 -0.83 -3.33 0.00 0.00 175.10 172.90 3hox s GLY 365 N 2.86 1.54 -0.18 6.54 0.00 0.68 -2.65 107.32 116.12 3hox s GLY 365 Ca 0.08 0.88 -0.02 0.00 0.00 0.00 0.00 44.72 45.65 3hox s GLY 365 CO -0.20 2.98 -0.08 0.14 0.00 0.00 0.00 173.10 175.94 3hox s VAL 366 N 4.00 3.27 0.32 1.40 1.01 -0.19 -1.74 120.40 128.47 3hox s VAL 366 Ca 0.71 -0.55 -0.29 0.00 0.00 0.00 0.00 61.98 61.85 3hox s VAL 366 Cb -0.32 -2.44 -0.11 0.00 0.00 0.00 0.00 36.38 33.52 3hox s VAL 366 CO 0.28 0.48 1.47 -2.16 0.00 0.00 0.00 175.10 175.17 3hox s PRO 367 N 0.89 4.19 0.16 2.72 0.04 -1.26 -0.76 135.00 140.98 3hox s PRO 367 Ca -0.02 2.45 -0.26 0.00 0.04 0.00 0.00 61.00 63.20 3hox s PRO 367 Cb -0.15 -3.03 0.01 0.00 0.04 0.00 0.00 34.50 31.37 3hox s PRO 367 CO 0.01 -0.47 1.57 -0.22 0.04 0.00 0.00 177.00 177.93 3hox h LYS 368 N 4.04 -0.28 -1.10 4.56 3.64 -1.60 0.24 116.57 126.07 3hox h LYS 368 Ca -0.48 0.02 0.31 0.00 -1.27 0.00 0.00 60.65 59.23 3hox h LYS 368 Cb 1.23 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 33.06 3hox h LYS 368 CO 0.72 -0.19 0.78 0.66 -2.27 0.00 0.00 179.45 179.15 3hox h SER 369 N -0.29 0.09 0.50 4.20 4.64 -1.91 0.22 113.55 121.00 3hox h SER 369 Ca 0.15 0.02 -0.30 0.00 -0.47 0.00 0.00 61.79 61.19 3hox h SER 369 Cb 0.58 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3hox h SER 369 CO -0.61 0.02 -1.45 0.40 -0.87 0.00 0.00 176.83 174.32 3hox h ILE 370 N 0.08 1.25 0.00 0.95 2.04 -0.94 -3.10 117.51 117.79 3hox h ILE 370 Ca 0.54 -2.87 -0.04 0.00 1.00 0.00 0.00 64.86 63.50 3hox h ILE 370 Cb 2.01 2.82 -0.01 0.00 -0.74 0.00 0.00 36.82 40.90 3hox h ILE 370 CO -0.06 0.84 -0.19 0.00 0.00 0.00 0.00 178.15 178.73 3hox h ALA 371 N 0.51 1.29 -0.00 1.87 0.00 0.68 -1.79 119.26 121.83 3hox h ALA 371 Ca -0.21 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3hox h ALA 371 Cb 2.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.77 3hox h ALA 371 CO 0.18 0.24 -0.19 1.63 0.00 0.00 0.00 179.25 181.10 3hox n LYS 372 N -3.74 0.44 -0.08 0.00 5.02 0.06 -2.83 118.16 117.03 3hox n LYS 372 Ca -0.02 -0.17 -0.07 0.00 -2.02 0.00 0.00 58.31 56.04 3hox n LYS 372 Cb 0.30 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.79 3hox n LYS 372 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3hox n THR 373 N -1.13 1.44 -2.01 -0.18 -1.04 -0.73 -4.96 114.28 105.68 3hox n THR 373 Ca 0.11 0.18 -0.41 0.00 -2.04 0.00 0.00 64.05 61.89 3hox n THR 373 Cb 0.31 -2.36 -0.02 0.00 -1.82 0.00 0.00 70.33 66.44 3hox n THR 373 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3hox s LEU 374 N -8.12 4.39 0.36 -4.42 1.43 -0.88 -5.04 118.68 106.40 3hox s LEU 374 Ca -0.19 2.79 0.03 0.00 -1.03 0.00 0.00 54.13 55.74 3hox s LEU 374 Cb 0.03 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 3hox s LEU 374 CO 0.29 -0.65 0.12 0.28 0.23 0.00 0.00 176.35 176.61 3hox s THR 375 N -1.00 0.69 -0.13 5.49 -1.32 -1.26 -3.10 115.64 115.01 3hox s THR 375 Ca 0.51 -2.00 -0.04 0.00 -1.21 0.00 0.00 61.69 58.95 3hox s THR 375 Cb -0.42 -2.51 0.06 0.00 -1.51 0.00 0.00 72.50 68.13 3hox s THR 375 CO 0.55 0.00 0.22 -0.47 -2.21 0.00 0.00 174.62 172.71 3hox s TYR 376 N -3.34 -0.31 -0.17 9.09 5.04 -0.71 -4.84 117.35 122.11 3hox s TYR 376 Ca 0.30 0.69 -0.29 0.00 -2.44 0.00 0.00 57.07 55.33 3hox s TYR 376 Cb 0.05 -0.18 -0.04 0.00 0.35 0.00 0.00 41.96 42.14 3hox s TYR 376 CO 0.15 -0.38 1.70 -1.25 -1.34 0.00 0.00 175.55 174.44 3hox s PRO 377 N 2.36 3.83 -0.14 4.97 0.04 -1.26 -2.21 135.00 142.59 3hox s PRO 377 Ca 0.03 1.86 0.01 0.00 0.04 0.00 0.00 61.00 62.94 3hox s PRO 377 Cb -0.13 -4.07 0.02 0.00 0.04 0.00 0.00 34.50 30.36 3hox s PRO 377 CO -0.08 -1.26 -0.17 -2.00 0.04 0.00 0.00 177.00 173.52 3hox s GLU 378 N 4.69 2.56 0.23 4.56 2.12 -1.14 -4.92 118.70 126.81 3hox s GLU 378 Ca 0.76 -0.67 -0.30 0.00 0.36 0.00 0.00 54.97 55.11 3hox s GLU 378 Cb -0.28 -2.20 -0.09 0.00 0.26 0.00 0.00 34.13 31.82 3hox s GLU 378 CO 0.31 -0.13 1.30 0.08 -0.54 0.00 0.00 175.26 176.28 3hox s VAL 379 N 1.15 3.11 0.04 3.70 1.01 -1.26 -1.00 120.40 127.15 3hox s VAL 379 Ca -0.01 0.96 -0.30 0.00 0.00 0.00 0.00 61.98 62.62 3hox s VAL 379 Cb -0.14 -3.61 -0.07 0.00 0.00 0.00 0.00 36.38 32.56 3hox s VAL 379 CO -0.06 0.17 1.50 -0.69 0.00 0.00 0.00 175.10 176.01 3hox s VAL 380 N -0.21 3.39 0.02 2.92 1.01 0.11 -4.93 120.40 122.71 3hox s VAL 380 Ca 0.55 0.83 -0.00 0.00 0.00 0.00 0.00 61.98 63.35 3hox s VAL 380 Cb -0.37 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 3hox s VAL 380 CO 0.41 0.00 -0.02 -0.89 0.00 0.00 0.00 175.10 174.61 3hox s THR 381 N 2.35 0.09 0.42 3.92 2.01 -1.26 -2.16 115.64 121.02 3hox s THR 381 Ca 0.68 -0.78 0.25 0.00 0.31 0.00 0.00 61.69 62.15 3hox s THR 381 Cb -0.35 -0.23 0.25 0.00 0.01 0.00 0.00 72.50 72.17 3hox s THR 381 CO 0.29 -0.43 1.73 1.55 -0.69 0.00 0.00 174.62 177.07 3hox h PRO 382 N 4.84 0.00 -0.15 4.92 0.13 -2.00 1.20 132.00 140.95 3hox h PRO 382 Ca -0.31 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.66 3hox h PRO 382 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 3hox h PRO 382 CO 0.42 0.00 -0.58 1.88 -0.23 0.00 0.00 178.00 179.49 3hox h TYR 383 N 0.00 0.60 0.00 1.56 0.99 -1.97 -3.37 116.97 114.78 3hox h TYR 383 Ca 0.00 -0.22 0.00 0.00 2.00 0.00 0.00 58.73 60.51 3hox h TYR 383 Cb 0.59 -0.11 0.00 0.00 1.00 0.00 0.00 36.73 38.21 3hox h TYR 383 CO 0.00 0.94 0.00 0.27 -0.00 0.00 0.00 178.16 179.37 3hox n ASN 384 N -3.93 1.12 -0.35 3.88 0.23 0.36 -4.80 115.26 111.78 3hox n ASN 384 Ca -0.03 -1.49 0.27 0.00 -0.53 0.00 0.00 54.58 52.80 3hox n ASN 384 Cb 0.62 0.00 0.57 0.00 -2.08 0.00 0.00 39.78 38.88 3hox n ASN 384 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 3hox h ILE 385 N 0.93 0.43 0.00 1.53 1.08 -0.08 -1.01 117.51 120.39 3hox h ILE 385 Ca 0.00 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 3hox h ILE 385 Cb 0.57 0.12 0.00 0.00 -3.07 0.00 0.00 36.82 34.44 3hox h ILE 385 CO 0.00 0.05 0.00 0.47 -0.69 0.00 0.00 178.15 177.98 3hox n ASP 386 N -4.59 0.00 -0.35 1.72 8.00 -1.26 -2.43 116.55 117.64 3hox n ASP 386 Ca 0.28 0.61 0.00 0.00 0.71 0.00 0.00 54.79 56.39 3hox n ASP 386 Cb 1.04 -0.40 0.06 0.00 -0.02 0.00 0.00 41.12 41.79 3hox n ASP 386 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 3hox n ARG 387 N -1.69 -0.19 -0.09 -1.24 0.63 -1.03 -0.27 116.66 112.79 3hox n ARG 387 Ca 0.00 1.42 0.10 0.00 -0.92 0.00 0.00 57.85 58.44 3hox n ARG 387 Cb 0.00 -2.11 0.46 0.00 0.45 0.00 0.00 32.46 31.26 3hox n ARG 387 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 3hox h LEU 388 N 0.00 0.44 -0.68 6.15 3.38 -1.30 -1.44 115.31 121.86 3hox h LEU 388 Ca 0.35 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.18 3hox h LEU 388 Cb 0.57 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3hox h LEU 388 CO -0.92 0.28 -0.62 0.74 0.09 0.00 0.00 178.44 178.01 3hox h THR 389 N 0.50 1.41 0.18 0.22 2.02 -0.28 -1.39 112.91 115.56 3hox h THR 389 Ca 0.26 -2.06 -0.00 0.00 0.77 0.00 0.00 66.41 65.38 3hox h THR 389 Cb 0.38 2.08 -0.01 0.00 -1.74 0.00 0.00 68.15 68.87 3hox h THR 389 CO -0.08 0.60 -0.13 -0.61 0.37 0.00 0.00 175.52 175.68 3hox h GLN 390 N 0.11 -0.30 -0.60 6.66 5.75 -0.84 0.30 115.11 126.19 3hox h GLN 390 Ca -0.01 0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.51 3hox h GLN 390 Cb 1.12 0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.71 3hox h GLN 390 CO 0.09 -0.20 0.36 -0.07 -2.65 0.00 0.00 178.83 176.36 3hox h LEU 391 N -0.31 0.72 0.33 -2.39 3.38 -1.26 1.26 115.31 117.03 3hox h LEU 391 Ca -0.01 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 3hox h LEU 391 Cb 0.27 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3hox h LEU 391 CO -0.00 0.57 -0.16 0.58 0.09 0.00 0.00 178.44 179.52 3hox h VAL 392 N 0.81 0.69 -0.69 1.22 2.07 -0.92 -1.69 116.25 117.74 3hox h VAL 392 Ca 0.21 -0.26 0.05 0.00 0.82 0.00 0.00 66.70 67.52 3hox h VAL 392 Cb -0.02 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 3hox h VAL 392 CO -0.04 0.05 0.45 -0.09 0.02 0.00 0.00 177.57 177.97 3hox h ARG 393 N -0.59 0.75 -0.09 1.57 2.43 -0.21 0.32 114.38 118.57 3hox h ARG 393 Ca -0.05 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.10 3hox h ARG 393 Cb 0.43 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3hox h ARG 393 CO 0.07 0.50 0.20 -0.97 -1.51 0.00 0.00 179.97 178.26 3hox h ASN 394 N 0.77 0.00 -4.31 -3.80 -0.73 0.25 -3.47 115.58 104.29 3hox h ASN 394 Ca 0.28 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.45 3hox h ASN 394 Cb 0.15 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.74 3hox h ASN 394 CO -0.09 0.00 0.00 0.61 -0.37 0.00 0.00 177.43 177.58 3hox n GLY 395 N -1.26 -0.96 1.85 1.57 0.00 0.10 -4.35 105.19 102.13 3hox n GLY 395 Ca -0.01 -1.65 -0.12 0.00 0.00 0.00 0.00 46.02 44.25 3hox n GLY 395 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hox n PRO 396 N -1.06 2.54 0.00 1.61 -0.04 -0.97 -2.14 135.00 134.94 3hox n PRO 396 Ca 0.00 -2.36 0.00 0.00 -0.04 0.00 0.00 63.50 61.10 3hox n PRO 396 Cb 0.00 -1.96 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 3hox n PRO 396 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3hox n ASN 397 N -0.42 2.77 -4.70 3.54 4.13 -1.26 -4.93 115.26 114.39 3hox n ASN 397 Ca 0.39 0.00 -0.29 0.00 1.68 0.00 0.00 54.58 56.36 3hox n ASN 397 Cb 1.29 0.11 0.15 0.00 -1.54 0.00 0.00 39.78 39.79 3hox n ASN 397 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 3hox s GLU 398 N -1.64 1.02 0.00 3.52 2.02 -1.26 -5.01 118.70 117.35 3hox s GLU 398 Ca 0.00 0.76 0.00 0.00 0.02 0.00 0.00 54.97 55.75 3hox s GLU 398 Cb 0.00 -1.79 0.00 0.00 0.10 0.00 0.00 34.13 32.44 3hox s GLU 398 CO 0.00 -2.39 0.00 1.58 0.02 0.00 0.00 175.26 174.47 3hox n HIS 399 N -3.98 0.00 -1.50 1.61 -0.00 -1.26 -4.18 115.22 105.91 3hox n HIS 399 Ca 0.07 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.57 3hox n HIS 399 Cb 0.56 0.00 -0.22 0.00 -0.00 0.00 0.00 29.99 30.33 3hox n HIS 399 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 3hox n PRO 400 N 0.00 0.04 0.00 1.57 -0.02 -1.26 -4.68 135.00 130.65 3hox n PRO 400 Ca 0.00 -0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 3hox n PRO 400 Cb 0.00 -1.18 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 3hox n PRO 400 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hox n GLY 401 N 5.61 4.22 3.47 -1.23 0.00 -1.26 -4.69 105.19 111.30 3hox n GLY 401 Ca 0.67 -0.98 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 3hox n GLY 401 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hox s ALA 402 N -1.50 0.08 -0.03 4.61 0.00 -0.91 -1.26 121.76 122.75 3hox s ALA 402 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.92 3hox s ALA 402 Cb 0.00 1.10 -0.02 0.00 0.00 0.00 0.00 23.12 24.20 3hox s ALA 402 CO 0.00 -0.77 -0.03 1.63 0.00 0.00 0.00 175.76 176.59 3hox n LYS 403 N -0.33 0.15 -4.04 0.00 5.02 -0.77 -2.29 118.16 115.89 3hox n LYS 403 Ca -0.02 0.02 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 3hox n LYS 403 Cb 0.63 -1.07 -0.12 0.00 -0.02 0.00 0.00 35.03 34.45 3hox n LYS 403 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3hox s TYR 404 N -2.07 0.46 -0.09 2.13 1.51 -1.23 -1.93 117.35 116.14 3hox s TYR 404 Ca -0.04 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.64 3hox s TYR 404 Cb 0.01 -0.29 0.01 0.00 -0.11 0.00 0.00 41.96 41.59 3hox s TYR 404 CO 0.08 -0.09 -0.13 0.08 -1.11 0.00 0.00 175.55 174.37 3hox s VAL 405 N -1.08 1.29 -0.10 0.71 1.01 -1.03 0.04 120.40 121.24 3hox s VAL 405 Ca -0.09 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.38 3hox s VAL 405 Cb -0.08 -1.19 0.01 0.00 0.00 0.00 0.00 36.38 35.12 3hox s VAL 405 CO -0.00 0.40 -0.19 0.27 0.00 0.00 0.00 175.10 175.57 3hox s ILE 406 N 0.89 1.73 0.53 2.22 -4.36 -0.29 -1.36 121.20 120.56 3hox s ILE 406 Ca -0.10 -0.81 0.02 0.00 -0.26 0.00 0.00 60.65 59.50 3hox s ILE 406 Cb -0.15 -1.53 0.03 0.00 1.25 0.00 0.00 42.46 42.05 3hox s ILE 406 CO 0.01 0.49 0.75 -0.13 0.24 0.00 0.00 174.94 176.29 3hox s ARG 407 N 0.62 2.63 0.53 0.37 3.00 -1.24 -1.16 118.95 123.69 3hox s ARG 407 Ca -0.14 -0.78 0.25 0.00 0.00 0.00 0.00 55.73 55.06 3hox s ARG 407 Cb -0.17 -2.52 1.40 0.00 0.00 0.00 0.00 34.95 33.67 3hox s ARG 407 CO 0.04 -0.62 2.01 0.38 0.00 0.00 0.00 175.30 177.10 3hox h ASP 408 N 0.16 0.00 0.00 0.23 3.04 -1.93 -3.09 116.42 114.82 3hox h ASP 408 Ca -0.42 0.00 -0.55 0.00 -3.24 0.00 0.00 57.03 52.81 3hox h ASP 408 Cb 1.29 0.00 0.02 0.00 -1.04 0.00 0.00 39.33 39.60 3hox h ASP 408 CO 0.52 0.00 2.85 -1.54 -2.04 0.00 0.00 179.24 179.04 3hox n SER 409 N -4.35 4.91 0.00 4.15 3.41 -1.26 -4.77 113.62 115.71 3hox n SER 409 Ca 0.09 -2.54 0.00 0.00 -0.26 0.00 0.00 58.87 56.16 3hox n SER 409 Cb 0.57 -1.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.25 3hox n SER 409 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hox n GLY 410 N 3.97 0.00 3.35 5.00 0.00 -1.17 -4.83 105.19 111.51 3hox n GLY 410 Ca 0.53 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.44 3hox n GLY 410 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hox s ASP 411 N 0.00 -0.56 0.14 1.61 2.15 -1.26 -5.06 116.67 113.70 3hox s ASP 411 Ca 0.00 0.99 -0.29 0.00 0.43 0.00 0.00 52.55 53.68 3hox s ASP 411 Cb 0.00 0.92 -0.07 0.00 -0.30 0.00 0.00 42.92 43.47 3hox s ASP 411 CO 0.00 -0.19 0.90 -0.13 -0.17 0.00 0.00 175.17 175.58 3hox s ARG 412 N 0.98 4.69 -0.33 4.34 0.52 -1.26 -3.74 118.95 124.15 3hox s ARG 412 Ca -0.06 1.36 -0.07 0.00 -0.52 0.00 0.00 55.73 56.45 3hox s ARG 412 Cb -0.06 -3.34 0.03 0.00 0.52 0.00 0.00 34.95 32.11 3hox s ARG 412 CO -0.08 0.35 0.11 0.42 0.02 0.00 0.00 175.30 176.11 3hox s ILE 413 N -0.45 3.86 -0.75 1.52 1.01 -0.46 -4.99 121.20 120.93 3hox s ILE 413 Ca 0.43 -1.04 -0.24 0.00 0.00 0.00 0.00 60.65 59.79 3hox s ILE 413 Cb -0.24 -3.15 0.06 0.00 0.01 0.00 0.00 42.46 39.14 3hox s ILE 413 CO 0.29 -0.14 1.13 -0.62 0.00 0.00 0.00 174.94 175.60 3hox s ASP 414 N 1.43 6.25 0.48 3.58 -1.08 -1.26 -2.48 116.67 123.59 3hox s ASP 414 Ca -0.01 -0.96 0.31 0.00 -0.52 0.00 0.00 52.55 51.37 3hox s ASP 414 Cb -0.19 -2.48 1.40 0.00 -1.46 0.00 0.00 42.92 40.19 3hox s ASP 414 CO 0.03 -1.54 1.75 -0.07 0.52 0.00 0.00 175.17 175.85 3hox h LEU 415 N 11.96 0.18 0.00 -1.34 3.38 -1.75 0.15 115.31 127.89 3hox h LEU 415 Ca -0.19 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3hox h LEU 415 Cb 1.05 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3hox h LEU 415 CO 1.23 -0.00 0.00 -2.11 0.09 0.00 0.00 178.44 177.65 3hox n ARG 416 N -4.39 0.72 0.00 1.13 1.85 -1.26 -4.27 116.66 110.44 3hox n ARG 416 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.14 3hox n ARG 416 Cb 1.22 -1.26 0.00 0.00 -1.05 0.00 0.00 32.46 31.37 3hox n ARG 416 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3hox n TYR 417 N -0.76 -0.40 -0.66 2.89 4.01 0.40 -5.11 117.16 117.54 3hox n TYR 417 Ca 0.09 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.57 3hox n TYR 417 Cb 0.04 0.42 -0.04 0.00 -0.31 0.00 0.00 39.34 39.46 3hox n TYR 417 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3hox n SER 418 N -2.35 0.24 0.00 7.72 2.88 -0.50 -4.70 113.62 116.91 3hox n SER 418 Ca 0.00 0.47 0.02 0.00 -1.33 0.00 0.00 58.87 58.04 3hox n SER 418 Cb 0.00 -0.36 0.13 0.00 -0.75 0.00 0.00 64.21 63.23 3hox n SER 418 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 3hox n LYS 419 N 1.11 0.15 -0.21 -1.46 2.85 -1.26 -1.23 118.16 118.10 3hox n LYS 419 Ca 0.10 0.00 0.06 0.00 -1.05 0.00 0.00 58.31 57.42 3hox n LYS 419 Cb 0.00 -1.46 0.09 0.00 -0.65 0.00 0.00 35.03 33.01 3hox n LYS 419 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3hox n ARG 420 N -0.96 0.87 -0.07 -1.58 1.74 -1.26 -4.85 116.66 110.55 3hox n ARG 420 Ca 0.03 -1.98 -0.09 0.00 -0.77 0.00 0.00 57.85 55.04 3hox n ARG 420 Cb 0.02 -1.13 -0.07 0.00 -1.02 0.00 0.00 32.46 30.26 3hox n ARG 420 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hox h ALA 421 N 0.00 -0.65 0.00 7.54 0.00 -1.47 0.18 119.26 124.86 3hox h ALA 421 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3hox h ALA 421 Cb 1.12 0.95 -0.00 0.00 0.00 0.00 0.00 17.79 19.87 3hox h ALA 421 CO 0.00 -0.81 -0.05 0.78 0.00 0.00 0.00 179.25 179.17 3hox h GLY 422 N -0.29 0.00 0.00 0.00 0.00 -1.89 -3.37 103.07 97.52 3hox h GLY 422 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3hox h GLY 422 CO -0.36 0.00 0.00 1.34 0.00 0.00 0.00 176.54 177.52 3hox n ASP 423 N -3.59 0.00 -1.55 0.19 -0.08 0.02 -4.92 116.55 106.61 3hox n ASP 423 Ca -0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.26 3hox n ASP 423 Cb 0.16 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.62 3hox n ASP 423 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 3hox n ILE 424 N 0.00 0.00 -3.99 5.18 5.41 -0.99 -4.96 119.36 120.02 3hox n ILE 424 Ca 0.00 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.45 3hox n ILE 424 Cb 0.00 -0.65 -0.16 0.00 -0.71 0.00 0.00 39.64 38.12 3hox n ILE 424 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hox s GLN 425 N 0.00 2.06 1.17 0.38 0.00 -1.26 -4.96 119.66 117.04 3hox s GLN 425 Ca 0.00 -0.61 -0.16 0.00 -0.00 0.00 0.00 55.36 54.59 3hox s GLN 425 Cb 0.00 -2.14 0.21 0.00 0.00 0.00 0.00 33.01 31.08 3hox s GLN 425 CO 0.00 -0.32 0.50 1.28 0.00 0.00 0.00 175.29 176.75 3hox n LEU 426 N 4.77 -2.13 -3.81 2.60 4.77 -1.26 -5.05 117.00 116.88 3hox n LEU 426 Ca -0.15 -0.18 -0.18 0.00 -0.03 0.00 0.00 56.01 55.46 3hox n LEU 426 Cb 0.49 -1.09 -0.16 0.00 -2.33 0.00 0.00 43.42 40.32 3hox n LEU 426 CO 0.20 -3.23 -0.38 -1.10 -1.33 0.00 0.00 177.39 171.55 3hox s GLN 427 N -3.91 0.38 0.24 3.23 -1.52 -1.26 -5.08 119.66 111.75 3hox s GLN 427 Ca 0.62 0.08 -0.30 0.00 -1.95 0.00 0.00 55.36 53.81 3hox s GLN 427 Cb -0.19 -0.59 -0.15 0.00 -0.22 0.00 0.00 33.01 31.87 3hox s GLN 427 CO 0.66 -0.16 1.06 0.66 -0.25 0.00 0.00 175.29 177.26 3hox n TYR 428 N 4.33 1.24 0.00 0.91 4.02 -1.26 0.02 117.16 126.41 3hox n TYR 428 Ca -0.22 0.70 0.00 0.00 -0.01 0.00 0.00 57.90 58.36 3hox n TYR 428 Cb 0.50 -2.26 0.00 0.00 -0.02 0.00 0.00 39.34 37.57 3hox n TYR 428 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hox n GLY 429 N 1.57 2.85 3.54 2.72 0.00 -0.92 -4.97 105.19 109.98 3hox n GLY 429 Ca 0.12 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 3hox n GLY 429 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hox s TRP 430 N -2.07 0.96 0.07 1.61 0.52 0.10 -4.62 118.94 115.51 3hox s TRP 430 Ca 0.00 0.79 0.06 0.00 0.02 0.00 0.00 56.10 56.97 3hox s TRP 430 Cb 0.00 -3.22 -0.03 0.00 -1.15 0.00 0.00 33.47 29.07 3hox s TRP 430 CO 0.00 -3.81 -0.15 0.15 0.02 0.00 0.00 176.95 173.15 3hox s LYS 431 N -5.01 0.92 -0.26 4.98 1.02 -0.31 0.07 119.74 121.15 3hox s LYS 431 Ca 0.68 -0.93 0.01 0.00 0.02 0.00 0.00 55.97 55.75 3hox s LYS 431 Cb -0.16 -0.98 0.07 0.00 -0.52 0.00 0.00 37.83 36.24 3hox s LYS 431 CO 0.59 0.23 -0.01 0.08 -0.92 0.00 0.00 175.35 175.31 3hox s VAL 432 N -1.12 1.49 -0.38 3.17 1.01 -0.17 -1.14 120.40 123.27 3hox s VAL 432 Ca 0.01 -1.37 -0.28 0.00 0.00 0.00 0.00 61.98 60.33 3hox s VAL 432 Cb -0.09 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 3hox s VAL 432 CO 0.02 -0.26 1.70 -1.61 0.00 0.00 0.00 175.10 174.95 3hox s GLU 433 N 1.38 3.34 0.54 2.72 2.02 0.11 -2.87 118.70 125.94 3hox s GLU 433 Ca -0.01 1.21 0.08 0.00 0.02 0.00 0.00 54.97 56.28 3hox s GLU 433 Cb -0.19 -4.17 0.06 0.00 0.10 0.00 0.00 34.13 29.94 3hox s GLU 433 CO -0.09 -1.86 0.66 -0.98 0.02 0.00 0.00 175.26 173.01 3hox s ARG 434 N 5.59 2.35 0.45 1.61 1.70 -0.94 -1.85 118.95 127.87 3hox s ARG 434 Ca 0.73 -1.69 -0.21 0.00 -0.47 0.00 0.00 55.73 54.09 3hox s ARG 434 Cb -0.19 -2.52 -0.10 0.00 -0.57 0.00 0.00 34.95 31.58 3hox s ARG 434 CO 0.32 -0.72 1.00 -1.01 -1.08 0.00 0.00 175.30 173.81 3hox s HIS 435 N -2.65 3.17 0.23 5.89 3.76 -0.39 -1.73 115.29 123.57 3hox s HIS 435 Ca 0.54 1.60 -0.31 0.00 -0.15 0.00 0.00 55.06 56.75 3hox s HIS 435 Cb -0.05 -2.98 -0.11 0.00 1.11 0.00 0.00 32.58 30.55 3hox s HIS 435 CO 0.34 -0.48 1.59 0.42 -0.85 0.00 0.00 174.74 175.76 3hox s ILE 436 N -2.02 2.31 0.29 0.60 -1.09 -1.13 -4.78 121.20 115.38 3hox s ILE 436 Ca 0.64 0.24 0.09 0.00 -2.23 0.00 0.00 60.65 59.39 3hox s ILE 436 Cb -0.14 -3.16 -0.06 0.00 -1.58 0.00 0.00 42.46 37.53 3hox s ILE 436 CO 0.18 0.03 -0.11 -0.04 -1.23 0.00 0.00 174.94 173.77 3hox s MET 437 N 0.33 1.61 -0.42 2.79 -1.94 -1.26 -4.84 119.30 115.57 3hox s MET 437 Ca 0.67 -1.79 -0.41 0.00 -1.71 0.00 0.00 55.69 52.45 3hox s MET 437 Cb -0.46 -1.41 -0.16 0.00 2.01 0.00 0.00 34.83 34.81 3hox s MET 437 CO 0.39 0.14 2.06 -0.25 -0.01 0.00 0.00 175.02 177.36 3hox n ASP 438 N -0.62 1.48 0.00 3.03 9.92 -1.26 -1.24 116.55 127.87 3hox n ASP 438 Ca -0.06 0.68 0.00 0.00 -0.53 0.00 0.00 54.79 54.88 3hox n ASP 438 Cb 0.62 -1.06 0.00 0.00 -0.64 0.00 0.00 41.12 40.05 3hox n ASP 438 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3hox n ASN 439 N 7.77 -0.48 -4.67 -2.24 4.13 0.39 -4.89 115.26 115.28 3hox n ASN 439 Ca 0.45 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 56.28 3hox n ASN 439 Cb 0.07 -0.08 -0.02 0.00 -1.54 0.00 0.00 39.78 38.21 3hox n ASN 439 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3hox s ASP 440 N -2.06 7.16 0.20 6.41 1.01 -0.37 -4.59 116.67 124.43 3hox s ASP 440 Ca 0.00 1.44 -0.30 0.00 0.71 0.00 0.00 52.55 54.39 3hox s ASP 440 Cb 0.00 -2.54 -0.09 0.00 1.01 0.00 0.00 42.92 41.29 3hox s ASP 440 CO 0.00 -0.55 1.41 -2.16 0.21 0.00 0.00 175.17 174.08 3hox s PRO 441 N 2.58 4.30 0.03 8.23 0.04 -1.26 -2.20 135.00 146.72 3hox s PRO 441 Ca 0.46 2.20 -0.00 0.00 0.04 0.00 0.00 61.00 63.70 3hox s PRO 441 Cb -0.17 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 31.19 3hox s PRO 441 CO 0.12 -0.40 -0.03 0.14 0.04 0.00 0.00 177.00 176.87 3hox s VAL 442 N 0.33 0.16 -0.09 -0.36 -7.23 -0.64 -4.34 120.40 108.23 3hox s VAL 442 Ca 0.61 -1.09 -0.25 0.00 -1.81 0.00 0.00 61.98 59.43 3hox s VAL 442 Cb -0.40 -0.52 -0.03 0.00 0.56 0.00 0.00 36.38 35.99 3hox s VAL 442 CO 0.38 -0.59 0.78 -0.22 -0.31 0.00 0.00 175.10 175.15 3hox s LEU 443 N -1.75 4.28 0.02 1.32 0.20 -0.29 -1.43 118.68 121.02 3hox s LEU 443 Ca -0.11 1.24 0.07 0.00 0.69 0.00 0.00 54.13 56.02 3hox s LEU 443 Cb -0.07 -3.19 -0.02 0.00 -0.43 0.00 0.00 46.19 42.48 3hox s LEU 443 CO -0.03 -0.23 -0.22 0.12 -0.29 0.00 0.00 176.35 175.70 3hox s PHE 444 N 1.27 1.98 0.05 5.38 5.36 0.70 -0.76 117.98 131.95 3hox s PHE 444 Ca 0.40 -0.38 -0.25 0.00 -0.96 0.00 0.00 56.93 55.74 3hox s PHE 444 Cb -0.18 -1.22 0.06 0.00 -0.34 0.00 0.00 43.02 41.34 3hox s PHE 444 CO 0.18 0.04 0.58 0.54 -1.46 0.00 0.00 175.22 175.10 3hox s ASN 445 N -0.90 -0.53 -0.09 6.13 4.22 -0.82 -1.37 114.94 121.59 3hox s ASN 445 Ca 0.09 0.26 0.02 0.00 -2.14 0.00 0.00 52.86 51.08 3hox s ASN 445 Cb -0.09 0.53 0.01 0.00 1.28 0.00 0.00 41.25 42.99 3hox s ASN 445 CO 0.01 -0.76 -0.14 -0.60 -2.04 0.00 0.00 177.10 173.57 3hox s ARG 446 N -2.51 1.97 0.49 3.55 3.52 -0.96 -2.35 118.95 122.66 3hox s ARG 446 Ca -0.05 -0.49 -0.07 0.00 -0.13 0.00 0.00 55.73 55.00 3hox s ARG 446 Cb -0.01 -1.65 -0.04 0.00 -1.56 0.00 0.00 34.95 31.69 3hox s ARG 446 CO -0.02 -0.01 0.82 -0.65 -0.81 0.00 0.00 175.30 174.63 3hox s GLN 447 N 0.83 3.58 0.35 5.12 -0.21 -1.26 -4.01 119.66 124.06 3hox s GLN 447 Ca -0.11 0.32 -0.27 0.00 0.02 0.00 0.00 55.36 55.32 3hox s GLN 447 Cb -0.15 -2.33 -0.09 0.00 1.00 0.00 0.00 33.01 31.43 3hox s GLN 447 CO 0.01 -0.24 1.17 -1.25 -2.12 0.00 0.00 175.29 172.87 3hox s PRO 448 N -4.69 4.31 -0.87 2.91 0.04 -1.26 -5.04 135.00 130.40 3hox s PRO 448 Ca 0.49 1.90 -0.25 0.00 0.04 0.00 0.00 61.00 63.18 3hox s PRO 448 Cb -0.10 -2.92 0.04 0.00 0.04 0.00 0.00 34.50 31.56 3hox s PRO 448 CO 0.44 -0.12 1.35 -1.12 0.04 0.00 0.00 177.00 177.59 3hox s SER 449 N -0.92 6.33 -0.10 6.66 0.01 -1.26 -4.87 113.70 119.55 3hox s SER 449 Ca 0.51 -0.98 0.03 0.00 1.31 0.00 0.00 55.95 56.83 3hox s SER 449 Cb -0.33 -2.56 -0.24 0.00 0.21 0.00 0.00 66.02 63.10 3hox s SER 449 CO 0.42 -1.65 0.44 0.18 0.41 0.00 0.00 173.24 173.04 3hox n LEU 450 N 9.02 1.78 -4.29 2.44 4.77 -1.26 -5.01 117.00 124.45 3hox n LEU 450 Ca 0.17 0.26 -0.17 0.00 -0.03 0.00 0.00 56.01 56.25 3hox n LEU 450 Cb 0.50 -0.48 -0.09 0.00 -2.33 0.00 0.00 43.42 41.02 3hox n LEU 450 CO 0.68 0.65 -0.19 -1.38 -1.33 0.00 0.00 177.39 175.82 3hox s HIS 451 N -2.57 1.52 0.10 -1.77 -3.43 -1.26 -4.69 115.29 103.19 3hox s HIS 451 Ca -0.15 -1.44 -0.20 0.00 -0.80 0.00 0.00 55.06 52.47 3hox s HIS 451 Cb 0.07 -0.75 -0.05 0.00 -1.43 0.00 0.00 32.58 30.43 3hox s HIS 451 CO 0.79 -0.63 1.24 1.63 -2.00 0.00 0.00 174.74 175.76 3hox n LYS 452 N -0.51 -0.29 0.19 -0.38 5.02 -1.26 -1.20 118.16 119.73 3hox n LYS 452 Ca 0.03 1.22 0.12 0.00 -2.02 0.00 0.00 58.31 57.66 3hox n LYS 452 Cb 0.65 -1.80 0.39 0.00 -0.02 0.00 0.00 35.03 34.25 3hox n LYS 452 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 3hox h MET 453 N 0.00 0.00 0.00 1.97 2.86 -1.95 0.16 114.93 117.97 3hox h MET 453 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3hox h MET 453 Cb 0.27 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.93 3hox h MET 453 CO -0.61 0.00 0.00 0.43 1.06 0.00 0.00 176.91 177.79 3hox n SER 454 N -2.89 0.32 -3.81 1.22 7.64 -0.34 -4.34 113.62 111.41 3hox n SER 454 Ca 0.05 0.58 -0.28 0.00 1.01 0.00 0.00 58.87 60.23 3hox n SER 454 Cb 0.90 -0.65 -0.16 0.00 -1.01 0.00 0.00 64.21 63.29 3hox n SER 454 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3hox s MET 455 N -3.16 1.00 0.25 1.43 -1.94 0.57 -2.26 119.30 115.19 3hox s MET 455 Ca 0.05 -0.52 0.01 0.00 -1.71 0.00 0.00 55.69 53.52 3hox s MET 455 Cb 0.09 -2.11 -0.05 0.00 2.01 0.00 0.00 34.83 34.77 3hox s MET 455 CO 0.31 -0.57 0.10 -1.64 -0.01 0.00 0.00 175.02 173.21 3hox s MET 456 N 1.73 1.38 -0.19 2.03 1.00 -0.47 -4.94 119.30 119.83 3hox s MET 456 Ca -0.01 -1.74 -0.10 0.00 0.00 0.00 0.00 55.69 53.83 3hox s MET 456 Cb -0.17 -0.19 -0.05 0.00 0.00 0.00 0.00 34.83 34.42 3hox s MET 456 CO -0.07 -0.30 0.16 0.00 0.00 0.00 0.00 175.02 174.80 3hox s ALA 457 N -3.81 3.68 0.27 3.03 0.00 0.20 -0.22 121.76 124.91 3hox s ALA 457 Ca 0.38 -0.65 0.07 0.00 0.00 0.00 0.00 51.96 51.76 3hox s ALA 457 Cb 0.08 -2.20 -0.06 0.00 0.00 0.00 0.00 23.12 20.94 3hox s ALA 457 CO 0.13 0.17 -0.08 -1.01 0.00 0.00 0.00 175.76 174.97 3hox s HIS 458 N 0.33 1.96 -0.11 0.00 3.76 -0.52 -2.28 115.29 118.43 3hox s HIS 458 Ca 0.10 -0.65 -0.18 0.00 -0.15 0.00 0.00 55.06 54.18 3hox s HIS 458 Cb -0.11 -1.08 -0.04 0.00 1.11 0.00 0.00 32.58 32.45 3hox s HIS 458 CO -0.01 0.33 0.47 1.03 -0.85 0.00 0.00 174.74 175.71 3hox s ARG 459 N -3.70 4.31 0.36 1.40 0.52 0.63 -1.62 118.95 120.85 3hox s ARG 459 Ca 0.29 0.44 -0.28 0.00 -0.52 0.00 0.00 55.73 55.66 3hox s ARG 459 Cb 0.03 -3.42 -0.10 0.00 0.52 0.00 0.00 34.95 31.98 3hox s ARG 459 CO 0.12 0.20 1.29 0.08 0.02 0.00 0.00 175.30 177.01 3hox s VAL 460 N 0.49 2.73 -0.29 3.52 1.01 -0.94 -1.72 120.40 125.21 3hox s VAL 460 Ca 0.26 0.71 -0.02 0.00 0.00 0.00 0.00 61.98 62.92 3hox s VAL 460 Cb -0.15 -3.44 0.12 0.00 0.00 0.00 0.00 36.38 32.91 3hox s VAL 460 CO 0.10 0.14 0.20 -0.75 0.00 0.00 0.00 175.10 174.80 3hox s LYS 461 N -1.95 0.26 0.14 2.72 2.36 -1.08 0.15 119.74 122.33 3hox s LYS 461 Ca 0.52 -0.40 -0.30 0.00 -2.55 0.00 0.00 55.97 53.23 3hox s LYS 461 Cb -0.38 -0.96 -0.07 0.00 -1.05 0.00 0.00 37.83 35.36 3hox s LYS 461 CO 0.50 -1.03 1.17 0.08 1.55 0.00 0.00 175.35 177.63 3hox s VAL 462 N 2.17 3.80 0.36 4.02 1.01 -1.26 -1.02 120.40 129.47 3hox s VAL 462 Ca 0.09 1.44 0.06 0.00 0.00 0.00 0.00 61.98 63.58 3hox s VAL 462 Cb -0.15 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 3hox s VAL 462 CO -0.34 0.20 0.24 0.27 0.00 0.00 0.00 175.10 175.47 3hox s ILE 463 N 0.27 0.14 0.40 2.22 -4.36 0.06 -4.85 121.20 115.08 3hox s ILE 463 Ca 0.54 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.94 3hox s ILE 463 Cb -0.31 -2.44 0.08 0.00 1.25 0.00 0.00 42.46 41.04 3hox s ILE 463 CO 0.34 0.00 0.55 -0.81 0.24 0.00 0.00 174.94 175.26 3hox n PRO 464 N -0.72 0.31 -1.57 0.37 -0.04 -1.26 -1.61 135.00 130.48 3hox n PRO 464 Ca 0.04 -1.60 0.00 0.00 -0.04 0.00 0.00 63.50 61.90 3hox n PRO 464 Cb 0.63 -0.33 0.00 0.00 -0.04 0.00 0.00 33.50 33.76 3hox n PRO 464 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3hox n TYR 465 N -2.13 -4.14 0.00 0.54 4.02 -1.26 -4.62 117.16 109.58 3hox n TYR 465 Ca 0.09 2.17 0.00 0.00 -0.01 0.00 0.00 57.90 60.15 3hox n TYR 465 Cb 0.34 -3.38 0.00 0.00 -0.02 0.00 0.00 39.34 36.28 3hox n TYR 465 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 3hox n SER 466 N 0.04 0.00 -4.32 7.72 7.64 -1.26 -4.48 113.62 118.96 3hox n SER 466 Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.60 3hox n SER 466 Cb 0.00 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.06 3hox n SER 466 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3hox s THR 467 N -1.25 1.97 -0.03 0.44 -4.23 -1.26 -4.55 115.64 106.73 3hox s THR 467 Ca 0.00 -1.41 -0.30 0.00 -1.18 0.00 0.00 61.69 58.80 3hox s THR 467 Cb 0.00 -1.71 -0.05 0.00 1.34 0.00 0.00 72.50 72.08 3hox s THR 467 CO 0.00 0.22 1.41 -0.36 -0.54 0.00 0.00 174.62 175.36 3hox s PHE 468 N -0.88 2.74 -0.15 3.99 2.99 -0.82 -4.48 117.98 121.38 3hox s PHE 468 Ca 0.10 0.77 -0.03 0.00 0.00 0.00 0.00 56.93 57.78 3hox s PHE 468 Cb -0.10 -3.67 -0.02 0.00 0.00 0.00 0.00 43.02 39.23 3hox s PHE 468 CO 0.03 -2.51 -0.07 1.03 -0.00 0.00 0.00 175.22 173.70 3hox s ARG 469 N 2.74 3.58 0.17 0.44 0.52 -0.71 -1.47 118.95 124.22 3hox s ARG 469 Ca 0.64 -0.57 0.05 0.00 -0.52 0.00 0.00 55.73 55.32 3hox s ARG 469 Cb -0.30 -2.82 -0.05 0.00 0.52 0.00 0.00 34.95 32.30 3hox s ARG 469 CO 0.25 0.24 -0.09 -0.48 0.02 0.00 0.00 175.30 175.24 3hox s LEU 470 N 0.35 2.48 0.81 2.53 2.34 -1.22 0.25 118.68 126.21 3hox s LEU 470 Ca -0.06 -1.05 -0.11 0.00 0.06 0.00 0.00 54.13 52.97 3hox s LEU 470 Cb -0.15 -0.36 0.08 0.00 -0.56 0.00 0.00 46.19 45.20 3hox s LEU 470 CO 0.04 -0.35 1.09 0.21 -1.06 0.00 0.00 176.35 176.28 3hox s ASN 471 N -3.20 4.25 -0.01 1.48 3.84 -1.26 -2.24 114.94 117.80 3hox s ASN 471 Ca 0.19 1.62 0.02 0.00 0.21 0.00 0.00 52.86 54.90 3hox s ASN 471 Cb 0.03 -2.34 -0.25 0.00 -0.55 0.00 0.00 41.25 38.14 3hox s ASN 471 CO 0.02 -2.16 0.81 -0.07 -2.79 0.00 0.00 177.10 172.91 3hox h LEU 472 N -1.22 0.24 -2.48 3.21 4.07 -1.90 -3.32 115.31 113.91 3hox h LEU 472 Ca -0.46 -0.37 -0.01 0.00 0.08 0.00 0.00 57.88 57.13 3hox h LEU 472 Cb 1.25 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 42.91 3hox h LEU 472 CO 0.54 1.31 -0.02 0.28 -1.08 0.00 0.00 178.44 179.47 3hox h SER 473 N 0.04 0.00 -0.27 -0.43 0.02 -1.95 0.38 113.55 111.35 3hox h SER 473 Ca -0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 3hox h SER 473 Cb 1.98 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.52 3hox h SER 473 CO 0.13 0.02 0.00 0.55 -1.14 0.00 0.00 176.83 176.39 3hox n VAL 474 N -3.47 0.35 -0.03 2.27 3.14 -1.25 -3.87 118.33 115.46 3hox n VAL 474 Ca -0.02 -0.43 -0.14 0.00 -2.96 0.00 0.00 64.34 60.79 3hox n VAL 474 Cb 0.12 0.35 -0.10 0.00 -1.06 0.00 0.00 33.84 33.15 3hox n VAL 474 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3hox h THR 475 N 2.32 1.48 -0.68 1.55 1.03 -0.34 -3.34 112.91 114.92 3hox h THR 475 Ca 0.00 -1.52 0.15 0.00 -0.01 0.00 0.00 66.41 65.02 3hox h THR 475 Cb 0.52 2.44 -0.12 0.00 -1.07 0.00 0.00 68.15 69.91 3hox h THR 475 CO 0.00 0.41 -0.05 0.28 -0.01 0.00 0.00 175.52 176.15 3hox h SER 476 N -0.49 -0.41 -0.82 0.00 0.02 -1.69 -2.71 113.55 107.45 3hox h SER 476 Ca -0.00 0.18 0.08 0.00 -0.84 0.00 0.00 61.79 61.21 3hox h SER 476 Cb 0.70 0.34 -0.07 0.00 0.14 0.00 0.00 62.40 63.52 3hox h SER 476 CO 0.02 -0.17 0.48 -0.65 -1.14 0.00 0.00 176.83 175.36 3hox h PRO 477 N 0.07 0.80 0.00 3.45 0.11 -1.77 -2.74 132.00 131.93 3hox h PRO 477 Ca 0.35 -0.05 -0.17 0.00 0.11 0.00 0.00 66.00 66.25 3hox h PRO 477 Cb 0.59 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.49 3hox h PRO 477 CO -0.63 0.53 -0.79 1.88 -0.21 0.00 0.00 178.00 178.78 3hox h TYR 478 N 0.83 0.00 0.00 0.65 -1.99 -1.68 -3.39 116.97 111.38 3hox h TYR 478 Ca 0.39 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.12 3hox h TYR 478 Cb 0.31 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.04 3hox h TYR 478 CO -0.05 0.79 0.00 0.09 -0.00 0.00 0.00 178.16 178.99 3hox n ASN 479 N -3.45 -0.97 -4.71 3.88 4.13 -1.03 -4.82 115.26 108.29 3hox n ASN 479 Ca 0.00 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.84 3hox n ASN 479 Cb 0.80 -0.19 -0.03 0.00 -1.54 0.00 0.00 39.78 38.82 3hox n ASN 479 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hox s ALA 480 N -2.00 3.33 0.33 5.41 0.00 -1.05 -5.02 121.76 122.77 3hox s ALA 480 Ca 0.00 0.77 0.04 0.00 0.00 0.00 0.00 51.96 52.77 3hox s ALA 480 Cb 0.00 -3.42 -0.06 0.00 0.00 0.00 0.00 23.12 19.64 3hox s ALA 480 CO 0.00 -0.38 0.06 0.16 0.00 0.00 0.00 175.76 175.59 3hox s ASP 481 N 1.05 2.46 -0.24 0.00 1.47 -1.26 -4.68 116.67 115.47 3hox s ASP 481 Ca 0.57 -1.38 0.13 0.00 1.18 0.00 0.00 52.55 53.06 3hox s ASP 481 Cb -0.27 -0.10 0.59 0.00 -0.34 0.00 0.00 42.92 42.79 3hox s ASP 481 CO 0.29 -0.60 1.53 0.49 0.68 0.00 0.00 175.17 177.56 3hox n PHE 482 N -0.70 1.37 0.56 2.11 0.99 -1.26 -4.11 117.46 116.41 3hox n PHE 482 Ca -0.02 -1.11 0.00 0.00 -0.00 0.00 0.00 57.45 56.32 3hox n PHE 482 Cb 0.67 -0.45 0.00 0.00 -1.00 0.00 0.00 39.48 38.70 3hox n PHE 482 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 3hox n ASP 483 N -0.53 0.06 0.00 4.37 3.85 -1.26 -4.45 116.55 118.59 3hox n ASP 483 Ca 0.29 -0.62 0.00 0.00 -0.71 0.00 0.00 54.79 53.75 3hox n ASP 483 Cb 1.05 -0.03 0.00 0.00 -1.35 0.00 0.00 41.12 40.79 3hox n ASP 483 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hox n GLY 484 N -0.09 1.42 3.84 6.12 0.00 -1.26 -5.11 105.19 110.11 3hox n GLY 484 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3hox n GLY 484 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hox s ASP 485 N -2.00 6.84 0.27 1.61 1.01 -1.26 -4.95 116.67 118.19 3hox s ASP 485 Ca 0.00 1.21 0.07 0.00 0.71 0.00 0.00 52.55 54.54 3hox s ASP 485 Cb 0.00 -2.34 -0.03 0.00 1.01 0.00 0.00 42.92 41.56 3hox s ASP 485 CO 0.00 -0.04 0.27 -1.61 0.21 0.00 0.00 175.17 174.00 3hox s GLU 486 N -2.42 3.02 -0.10 8.23 2.02 -1.26 -1.90 118.70 126.30 3hox s GLU 486 Ca 0.46 -1.03 -0.08 0.00 0.02 0.00 0.00 54.97 54.34 3hox s GLU 486 Cb -0.13 -2.64 0.03 0.00 0.10 0.00 0.00 34.13 31.48 3hox s GLU 486 CO 0.19 0.32 0.25 -1.64 0.02 0.00 0.00 175.26 174.41 3hox s MET 487 N -3.93 0.27 0.25 1.61 -1.94 -1.07 -4.75 119.30 109.73 3hox s MET 487 Ca 0.36 0.39 -0.05 0.00 -1.71 0.00 0.00 55.69 54.68 3hox s MET 487 Cb -0.08 0.08 -0.05 0.00 2.01 0.00 0.00 34.83 36.79 3hox s MET 487 CO 0.27 -0.06 0.50 -0.80 -0.01 0.00 0.00 175.02 174.91 3hox s ASN 488 N 0.40 6.46 -0.05 3.03 -0.87 -0.99 -3.45 114.94 119.47 3hox s ASN 488 Ca -0.02 0.65 0.01 0.00 -1.57 0.00 0.00 52.86 51.93 3hox s ASN 488 Cb -0.04 -2.12 0.02 0.00 -0.02 0.00 0.00 41.25 39.10 3hox s ASN 488 CO -0.02 -0.12 -0.03 -0.22 -2.57 0.00 0.00 177.10 174.14 3hox s LEU 489 N -3.31 1.22 -0.07 0.60 0.20 0.21 -1.94 118.68 115.58 3hox s LEU 489 Ca 0.43 -0.11 0.02 0.00 0.69 0.00 0.00 54.13 55.15 3hox s LEU 489 Cb -0.11 -0.42 -0.03 0.00 -0.43 0.00 0.00 46.19 45.20 3hox s LEU 489 CO 0.28 -0.08 -0.10 -1.00 -0.29 0.00 0.00 176.35 175.16 3hox s HIS 490 N 1.06 2.84 -0.24 5.38 3.76 0.06 -0.31 115.29 127.84 3hox s HIS 490 Ca -0.09 -0.14 -0.09 0.00 -0.15 0.00 0.00 55.06 54.59 3hox s HIS 490 Cb -0.14 -1.71 -0.04 0.00 1.11 0.00 0.00 32.58 31.80 3hox s HIS 490 CO -0.01 0.20 0.13 0.08 -0.85 0.00 0.00 174.74 174.29 3hox s VAL 491 N -0.58 5.07 1.11 -0.90 1.01 -0.96 -1.14 120.40 124.01 3hox s VAL 491 Ca 0.08 0.08 -0.12 0.00 0.00 0.00 0.00 61.98 62.02 3hox s VAL 491 Cb -0.12 -3.36 0.25 0.00 0.00 0.00 0.00 36.38 33.16 3hox s VAL 491 CO 0.02 0.35 1.03 -0.81 0.00 0.00 0.00 175.10 175.69 3hox n PRO 492 N 4.38 -1.96 0.00 2.72 -0.04 -1.26 -4.94 135.00 133.90 3hox n PRO 492 Ca -0.15 -0.53 0.00 0.00 -0.04 0.00 0.00 63.50 62.77 3hox n PRO 492 Cb 0.52 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.77 3hox n PRO 492 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3hox n GLN 493 N -4.75 2.27 -4.16 0.54 -0.06 -1.26 -4.91 117.38 105.04 3hox n GLN 493 Ca 0.05 0.00 -0.24 0.00 -2.00 0.00 0.00 57.00 54.81 3hox n GLN 493 Cb 0.53 -0.79 -0.06 0.00 -4.06 0.00 0.00 30.24 25.86 3hox n GLN 493 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 3hox s SER 494 N -2.23 5.19 0.18 1.69 0.15 -1.26 -4.46 113.70 112.96 3hox s SER 494 Ca 0.00 -0.33 -0.14 0.00 0.70 0.00 0.00 55.95 56.18 3hox s SER 494 Cb 0.00 -1.23 0.14 0.00 -1.71 0.00 0.00 66.02 63.22 3hox s SER 494 CO 0.00 0.02 1.76 -0.08 1.20 0.00 0.00 173.24 176.13 3hox h GLU 495 N 1.98 0.35 0.00 5.44 4.57 -1.98 -1.39 114.58 123.55 3hox h GLU 495 Ca -0.47 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 57.66 3hox h GLU 495 Cb 1.23 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.73 3hox h GLU 495 CO 0.61 0.23 -0.12 1.05 -1.18 0.00 0.00 179.01 179.60 3hox h GLU 496 N 0.36 0.00 -0.05 1.92 4.11 -2.00 -3.03 114.58 115.89 3hox h GLU 496 Ca 0.22 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.63 3hox h GLU 496 Cb 0.20 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 3hox h GLU 496 CO -0.21 0.12 -0.05 0.00 0.07 0.00 0.00 179.01 178.95 3hox h THR 497 N 0.00 1.37 0.00 -1.06 1.03 -1.66 -2.81 112.91 109.77 3hox h THR 497 Ca -0.00 -1.18 -0.02 0.00 -0.01 0.00 0.00 66.41 65.20 3hox h THR 497 Cb 0.79 2.05 -0.00 0.00 -1.07 0.00 0.00 68.15 69.92 3hox h THR 497 CO 0.02 0.32 -0.10 0.08 -0.01 0.00 0.00 175.52 175.83 3hox h ARG 498 N -0.32 0.00 0.06 0.00 0.11 -1.41 -1.74 114.38 111.08 3hox h ARG 498 Ca 0.01 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.09 3hox h ARG 498 Cb 0.54 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.62 3hox h ARG 498 CO 0.01 0.10 -0.03 0.00 0.10 0.00 0.00 179.97 180.16 3hox h ALA 499 N 1.90 -0.08 -0.96 0.08 0.00 -1.38 0.41 119.26 119.23 3hox h ALA 499 Ca -0.00 -0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.06 3hox h ALA 499 Cb 0.24 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 17.96 3hox h ALA 499 CO 0.01 -0.54 0.57 0.93 0.00 0.00 0.00 179.25 180.22 3hox h GLU 500 N -0.09 0.74 0.11 0.00 5.08 -1.09 0.25 114.58 119.59 3hox h GLU 500 Ca -0.01 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3hox h GLU 500 Cb 0.07 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.15 3hox h GLU 500 CO 0.01 0.49 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.38 3hox h LEU 501 N 0.76 -0.13 -1.20 1.33 3.38 -1.32 0.17 115.31 118.29 3hox h LEU 501 Ca 0.54 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 3hox h LEU 501 Cb 0.77 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 3hox h LEU 501 CO -0.36 0.35 0.25 0.77 0.09 0.00 0.00 178.44 179.54 3hox h SER 502 N -0.65 0.73 0.37 -0.43 4.64 -0.32 -0.46 113.55 117.43 3hox h SER 502 Ca -0.02 -0.08 -0.31 0.00 -0.47 0.00 0.00 61.79 60.91 3hox h SER 502 Cb 0.51 -0.19 -0.05 0.00 -0.31 0.00 0.00 62.40 62.36 3hox h SER 502 CO 0.03 0.64 -1.83 0.00 -0.87 0.00 0.00 176.83 174.79 3hox n GLN 503 N -4.35 0.66 -0.09 4.77 1.13 0.84 -4.38 117.38 115.97 3hox n GLN 503 Ca 0.05 0.26 -0.09 0.00 -1.94 0.00 0.00 57.00 55.28 3hox n GLN 503 Cb 0.14 -1.75 -0.12 0.00 0.11 0.00 0.00 30.24 28.62 3hox n GLN 503 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3hox n LEU 504 N -3.11 0.51 -2.52 1.08 4.32 0.58 -4.79 117.00 113.07 3hox n LEU 504 Ca -0.22 -0.02 -0.14 0.00 -0.02 0.00 0.00 56.01 55.62 3hox n LEU 504 Cb 1.06 0.21 0.03 0.00 -1.62 0.00 0.00 43.42 43.10 3hox n LEU 504 CO 0.44 0.48 0.05 0.00 -1.22 0.00 0.00 177.39 177.14 3hox s ALA 506 N -3.53 3.48 0.16 0.00 0.00 -0.99 0.59 121.76 121.46 3hox s ALA 506 Ca 0.37 0.10 -0.10 0.00 0.00 0.00 0.00 51.96 52.34 3hox s ALA 506 Cb 0.39 -2.79 0.21 0.00 0.00 0.00 0.00 23.12 20.93 3hox s ALA 506 CO -0.03 0.19 1.04 0.28 0.00 0.00 0.00 175.76 177.23 3hox n VAL 507 N 2.51 -0.33 -0.32 0.00 0.31 -0.97 0.31 118.33 119.85 3hox n VAL 507 Ca -0.06 1.55 0.19 0.00 -0.01 0.00 0.00 64.34 66.01 3hox n VAL 507 Cb 0.51 -2.08 0.39 0.00 -0.91 0.00 0.00 33.84 31.75 3hox n VAL 507 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3hox h PRO 508 N 0.00 0.18 -0.17 5.55 0.11 -1.88 0.76 132.00 136.55 3hox h PRO 508 Ca 0.26 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.26 3hox h PRO 508 Cb 0.43 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.49 3hox h PRO 508 CO -0.67 0.12 -0.28 -0.07 -0.21 0.00 0.00 178.00 176.90 3hox h LEU 509 N 0.19 0.54 -0.25 2.35 3.38 -0.41 -3.14 115.31 117.97 3hox h LEU 509 Ca 0.66 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3hox h LEU 509 Cb 1.47 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.06 3hox h LEU 509 CO -0.69 0.97 0.00 0.00 0.09 0.00 0.00 178.44 178.81 3hox n GLN 510 N -4.39 0.03 -0.22 1.13 1.13 0.23 -4.09 117.38 111.21 3hox n GLN 510 Ca -0.06 0.45 -0.11 0.00 -1.94 0.00 0.00 57.00 55.35 3hox n GLN 510 Cb 0.46 -1.59 -0.08 0.00 0.11 0.00 0.00 30.24 29.13 3hox n GLN 510 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 3hox h ILE 511 N 0.00 0.00 -3.51 5.09 2.04 -1.42 -3.34 117.51 116.37 3hox h ILE 511 Ca 0.00 0.00 -0.66 0.00 1.00 0.00 0.00 64.86 65.20 3hox h ILE 511 Cb 0.09 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.01 3hox h ILE 511 CO 0.00 0.00 0.10 -0.69 0.00 0.00 0.00 178.15 177.56 3hox s VAL 512 N -5.18 4.84 0.10 1.67 1.01 -1.26 0.23 120.40 121.81 3hox s VAL 512 Ca -0.11 -0.02 -0.13 0.00 0.00 0.00 0.00 61.98 61.71 3hox s VAL 512 Cb 0.08 -4.22 -0.06 0.00 0.00 0.00 0.00 36.38 32.17 3hox s VAL 512 CO 0.52 -0.64 0.48 -0.55 0.00 0.00 0.00 175.10 174.91 3hox s SER 513 N 2.14 6.78 0.29 3.32 0.15 -0.22 -4.86 113.70 121.30 3hox s SER 513 Ca 0.21 0.98 0.25 0.00 0.70 0.00 0.00 55.95 58.09 3hox s SER 513 Cb -0.15 -2.25 0.63 0.00 -1.71 0.00 0.00 66.02 62.54 3hox s SER 513 CO 0.17 0.17 1.71 1.55 1.20 0.00 0.00 173.24 178.04 3hox h PRO 514 N 3.84 0.00 -0.85 5.44 0.13 -1.83 -2.09 132.00 136.64 3hox h PRO 514 Ca -0.49 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.77 3hox h PRO 514 Cb 1.20 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.24 3hox h PRO 514 CO 0.65 0.00 0.46 0.37 -0.23 0.00 0.00 178.00 179.25 3hox h GLN 515 N 0.00 0.68 -1.06 0.86 4.15 -1.91 -3.29 115.11 114.54 3hox h GLN 515 Ca 0.00 -0.04 -0.36 0.00 0.77 0.00 0.00 58.65 59.01 3hox h GLN 515 Cb 0.83 -0.15 -0.31 0.00 0.21 0.00 0.00 27.48 28.06 3hox h GLN 515 CO 0.00 0.45 -0.91 -1.13 -1.93 0.00 0.00 178.83 175.31 3hox n SER 516 N -4.81 -0.14 -2.88 -0.69 3.41 -1.22 -3.42 113.62 103.87 3hox n SER 516 Ca 0.16 -3.04 0.00 0.00 -0.26 0.00 0.00 58.87 55.72 3hox n SER 516 Cb 0.38 0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 3hox n SER 516 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3hox n ASN 517 N 0.12 0.00 -3.52 4.04 0.23 -0.87 -4.83 115.26 110.43 3hox n ASN 517 Ca 0.14 0.00 -0.10 0.00 -0.53 0.00 0.00 54.58 54.09 3hox n ASN 517 Cb 0.73 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.41 3hox n ASN 517 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 3hox s LYS 518 N -3.73 1.20 0.55 -3.83 -2.85 -0.84 -4.76 119.74 105.48 3hox s LYS 518 Ca 0.00 -0.50 -0.21 0.00 -1.00 0.00 0.00 55.97 54.26 3hox s LYS 518 Cb 0.00 0.52 -0.05 0.00 -2.06 0.00 0.00 37.83 36.24 3hox s LYS 518 CO 0.00 -0.53 1.34 -1.25 0.10 0.00 0.00 175.35 175.01 3hox s PRO 519 N -3.55 3.10 0.00 1.78 0.04 -1.26 -1.05 135.00 134.06 3hox s PRO 519 Ca 0.04 2.20 0.07 0.00 0.04 0.00 0.00 61.00 63.35 3hox s PRO 519 Cb -0.02 -2.22 0.18 0.00 0.04 0.00 0.00 34.50 32.48 3hox s PRO 519 CO -0.08 -1.21 1.12 0.00 0.04 0.00 0.00 177.00 176.86 3hox s MET 521 N -0.96 0.52 0.00 0.00 -1.94 -1.26 -4.40 119.30 111.27 3hox s MET 521 Ca 0.14 -0.97 0.00 0.00 -1.71 0.00 0.00 55.69 53.15 3hox s MET 521 Cb 0.07 0.07 0.00 0.00 2.01 0.00 0.00 34.83 36.98 3hox s MET 521 CO 0.10 -0.06 0.00 0.41 -0.01 0.00 0.00 175.02 175.46 3hox n GLY 522 N 0.77 1.03 3.77 -0.03 0.00 -1.26 -4.36 105.19 105.11 3hox n GLY 522 Ca -0.18 -0.80 -0.38 0.00 0.00 0.00 0.00 46.02 44.66 3hox n GLY 522 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hox s ILE 523 N -2.30 3.84 0.26 -0.61 -1.09 -0.93 -4.49 121.20 115.87 3hox s ILE 523 Ca 0.00 1.56 0.03 0.00 -2.23 0.00 0.00 60.65 60.01 3hox s ILE 523 Cb 0.00 -3.88 -0.03 0.00 -1.58 0.00 0.00 42.46 36.96 3hox s ILE 523 CO 0.00 0.16 0.21 -0.69 -1.23 0.00 0.00 174.94 173.39 3hox s VAL 524 N -1.50 0.00 0.00 2.92 1.01 -1.26 -4.79 120.40 116.78 3hox s VAL 524 Ca 0.51 -1.98 0.00 0.00 0.00 0.00 0.00 61.98 60.52 3hox s VAL 524 Cb -0.23 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.65 3hox s VAL 524 CO 0.30 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.40 3hox n GLN 525 N -0.44 0.00 0.00 2.72 6.02 -1.26 -1.79 117.38 122.63 3hox n GLN 525 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 3hox n GLN 525 Cb 0.64 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.90 3hox n GLN 525 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3hox n ASP 526 N 0.76 0.00 -0.08 1.08 9.92 -1.26 0.01 116.55 126.98 3hox n ASP 526 Ca 0.00 0.17 0.02 0.00 -0.53 0.00 0.00 54.79 54.45 3hox n ASP 526 Cb 0.00 0.00 0.04 0.00 -0.64 0.00 0.00 41.12 40.52 3hox n ASP 526 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 3hox n THR 527 N -0.32 -0.09 0.13 -3.53 -1.04 -1.18 0.04 114.28 108.29 3hox n THR 527 Ca 0.00 0.48 -0.05 0.00 -2.04 0.00 0.00 64.05 62.44 3hox n THR 527 Cb 0.00 -0.68 -0.03 0.00 -1.82 0.00 0.00 70.33 67.80 3hox n THR 527 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3hox h LEU 528 N 0.00 -0.30 -1.31 -4.42 5.85 -0.43 0.30 115.31 115.02 3hox h LEU 528 Ca 0.11 0.01 0.31 0.00 0.84 0.00 0.00 57.88 59.15 3hox h LEU 528 Cb 0.20 0.08 -0.11 0.00 0.37 0.00 0.00 40.66 41.19 3hox h LEU 528 CO -0.21 -0.13 0.69 0.00 -0.34 0.00 0.00 178.44 178.45 3hox h GLY 530 N 0.33 0.00 2.00 0.00 0.00 -0.38 -3.28 103.07 101.73 3hox h GLY 530 Ca 0.67 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.90 3hox h GLY 530 CO -0.37 0.00 -0.44 1.19 0.00 0.00 0.00 176.54 176.92 3hox h ILE 531 N 0.00 1.26 0.47 2.60 2.10 0.26 -2.35 117.51 121.84 3hox h ILE 531 Ca -0.02 -1.52 -0.02 0.00 1.08 0.00 0.00 64.86 64.37 3hox h ILE 531 Cb 1.54 1.83 0.00 0.00 -1.09 0.00 0.00 36.82 39.10 3hox h ILE 531 CO 0.08 0.43 -0.23 -0.09 -1.08 0.00 0.00 178.15 177.27 3hox h ARG 532 N 0.00 -0.61 -0.94 2.19 2.43 -1.51 -2.75 114.38 113.19 3hox h ARG 532 Ca -0.00 0.04 0.25 0.00 -0.81 0.00 0.00 59.98 59.46 3hox h ARG 532 Cb 0.80 0.14 -0.13 0.00 -0.42 0.00 0.00 29.97 30.35 3hox h ARG 532 CO 0.06 -0.40 0.44 0.87 -1.51 0.00 0.00 179.97 179.42 3hox h LYS 533 N -0.63 0.37 0.00 0.20 1.57 -1.65 0.75 116.57 117.18 3hox h LYS 533 Ca -0.06 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3hox h LYS 533 Cb 0.48 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3hox h LYS 533 CO 0.11 0.24 0.00 1.25 -0.57 0.00 0.00 179.45 180.48 3hox h LEU 534 N 0.38 0.00 0.00 2.94 5.85 -1.29 -3.32 115.31 119.87 3hox h LEU 534 Ca 0.61 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 59.24 3hox h LEU 534 Cb 1.24 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 3hox h LEU 534 CO -0.56 0.00 -0.68 0.74 -0.34 0.00 0.00 178.44 177.60 3hox h THR 535 N 0.00 0.56 -0.36 1.05 2.02 0.82 -3.24 112.91 113.76 3hox h THR 535 Ca 0.00 -1.62 -0.28 0.00 0.77 0.00 0.00 66.41 65.28 3hox h THR 535 Cb 0.11 1.26 0.02 0.00 -1.74 0.00 0.00 68.15 67.80 3hox h THR 535 CO 0.00 0.19 0.02 0.18 0.37 0.00 0.00 175.52 176.28 3hox n LEU 536 N -4.56 -0.00 -0.32 2.58 4.77 -1.20 -4.14 117.00 114.12 3hox n LEU 536 Ca -0.16 0.42 0.20 0.00 -0.03 0.00 0.00 56.01 56.43 3hox n LEU 536 Cb 0.42 -0.33 0.39 0.00 -2.33 0.00 0.00 43.42 41.57 3hox n LEU 536 CO 0.15 -0.69 0.99 0.03 -1.33 0.00 0.00 177.39 176.55 3hox h ARG 537 N 1.07 0.17 -1.20 3.23 3.08 -1.94 0.91 114.38 119.70 3hox h ARG 537 Ca -0.18 -0.01 0.35 0.00 0.07 0.00 0.00 59.98 60.21 3hox h ARG 537 Cb 0.51 -0.04 -0.10 0.00 0.08 0.00 0.00 29.97 30.43 3hox h ARG 537 CO 0.23 0.12 0.79 0.22 -1.07 0.00 0.00 179.97 180.26 3hox h ASP 538 N 0.18 0.28 -3.57 7.04 -0.00 -1.97 -3.40 116.42 114.98 3hox h ASP 538 Ca 0.66 0.08 -0.59 0.00 -0.00 0.00 0.00 57.03 57.19 3hox h ASP 538 Cb 1.48 0.05 -0.09 0.00 -0.00 0.00 0.00 39.33 40.77 3hox h ASP 538 CO -0.70 -0.02 0.65 -0.89 -0.00 0.00 0.00 179.24 178.28 3hox s THR 539 N -5.31 4.49 0.05 2.25 2.01 0.31 -5.05 115.64 114.40 3hox s THR 539 Ca -0.08 1.07 0.08 0.00 0.31 0.00 0.00 61.69 63.07 3hox s THR 539 Cb 0.26 -4.41 -0.03 0.00 0.01 0.00 0.00 72.50 68.33 3hox s THR 539 CO 0.81 -0.70 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.46 3hox s PHE 540 N 3.72 2.46 -0.03 4.92 0.40 -1.26 -2.90 117.98 125.27 3hox s PHE 540 Ca 0.39 -0.32 0.05 0.00 -0.60 0.00 0.00 56.93 56.46 3hox s PHE 540 Cb -0.11 -1.41 -0.01 0.00 0.51 0.00 0.00 43.02 42.00 3hox s PHE 540 CO 0.23 0.22 -0.19 0.42 0.70 0.00 0.00 175.22 176.61 3hox s ILE 541 N -0.91 1.51 -0.10 0.64 1.01 0.43 -4.93 121.20 118.85 3hox s ILE 541 Ca 0.14 -0.79 -0.05 0.00 0.00 0.00 0.00 60.65 59.95 3hox s ILE 541 Cb -0.10 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 3hox s ILE 541 CO 0.04 0.43 0.09 -1.83 0.00 0.00 0.00 174.94 173.67 3hox s GLU 542 N -0.19 3.25 0.00 2.79 -1.05 -1.26 -0.08 118.70 122.16 3hox s GLU 542 Ca 0.01 -0.25 0.00 0.00 -0.15 0.00 0.00 54.97 54.58 3hox s GLU 542 Cb -0.10 -3.02 0.00 0.00 -0.44 0.00 0.00 34.13 30.57 3hox s GLU 542 CO 0.01 0.74 0.00 -0.11 0.95 0.00 0.00 175.26 176.85 3hox n LEU 543 N 1.99 0.00 -0.16 1.83 7.94 -1.26 -1.20 117.00 126.13 3hox n LEU 543 Ca -0.19 0.00 0.05 0.00 -1.11 0.00 0.00 56.01 54.76 3hox n LEU 543 Cb 0.54 0.00 0.10 0.00 0.53 0.00 0.00 43.42 44.59 3hox n LEU 543 CO 0.31 0.00 0.34 -0.90 -1.11 0.00 0.00 177.39 176.02 3hox n ASP 544 N -0.20 -0.11 -0.05 1.96 5.75 -1.26 -0.07 116.55 122.57 3hox n ASP 544 Ca 0.00 0.79 -0.18 0.00 -0.01 0.00 0.00 54.79 55.40 3hox n ASP 544 Cb 0.00 -0.26 -0.13 0.00 -1.03 0.00 0.00 41.12 39.70 3hox n ASP 544 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 3hox h GLN 545 N 0.00 0.08 -0.96 0.11 4.15 -1.57 -3.30 115.11 113.62 3hox h GLN 545 Ca 0.25 -0.14 0.30 0.00 0.77 0.00 0.00 58.65 59.83 3hox h GLN 545 Cb 0.45 0.05 -0.15 0.00 0.21 0.00 0.00 27.48 28.04 3hox h GLN 545 CO -0.46 1.07 0.41 0.28 -1.93 0.00 0.00 178.83 178.20 3hox h VAL 546 N -0.80 0.24 -0.75 2.39 2.07 -0.23 1.42 116.25 120.59 3hox h VAL 546 Ca -0.14 -0.07 0.09 0.00 0.82 0.00 0.00 66.70 67.40 3hox h VAL 546 Cb 1.28 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 3hox h VAL 546 CO -0.01 0.04 0.49 -0.07 0.02 0.00 0.00 177.57 178.04 3hox h LEU 547 N 0.22 0.62 -0.06 2.57 3.38 -1.01 0.37 115.31 121.39 3hox h LEU 547 Ca 0.68 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.61 3hox h LEU 547 Cb 1.53 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.17 3hox h LEU 547 CO -0.67 0.38 -0.17 0.78 0.09 0.00 0.00 178.44 178.85 3hox h ASN 548 N 0.69 0.25 -0.52 -0.43 2.35 0.18 -2.45 115.58 115.65 3hox h ASN 548 Ca 0.34 -0.61 0.08 0.00 -0.55 0.00 0.00 56.30 55.56 3hox h ASN 548 Cb 0.42 -0.07 -0.06 0.00 0.05 0.00 0.00 38.32 38.66 3hox h ASN 548 CO -0.12 0.81 0.17 0.24 -1.65 0.00 0.00 177.43 176.87 3hox h MET 549 N -0.30 0.32 -0.17 0.81 2.86 -0.13 -0.78 114.93 117.54 3hox h MET 549 Ca -0.00 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.67 3hox h MET 549 Cb 0.79 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.31 3hox h MET 549 CO 0.04 0.21 -0.26 -0.07 1.06 0.00 0.00 176.91 177.89 3hox h LEU 550 N 0.33 -0.81 -0.79 1.22 3.38 -0.27 -2.28 115.31 116.09 3hox h LEU 550 Ca 0.25 0.13 0.09 0.00 0.09 0.00 0.00 57.88 58.45 3hox h LEU 550 Cb 0.30 0.36 -0.07 0.00 0.09 0.00 0.00 40.66 41.34 3hox h LEU 550 CO -0.28 -0.30 0.44 0.22 0.09 0.00 0.00 178.44 178.61 3hox h TYR 551 N -0.30 0.79 -0.31 1.13 3.20 -0.81 -2.37 116.97 118.30 3hox h TYR 551 Ca 0.11 0.03 0.09 0.00 3.14 0.00 0.00 58.73 62.10 3hox h TYR 551 Cb 0.48 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 3hox h TYR 551 CO -0.38 0.32 0.34 -1.49 -1.64 0.00 0.00 178.16 175.32 3hox h TRP 552 N 0.74 0.00 -3.35 -3.82 4.06 -0.57 -3.36 115.95 109.64 3hox h TRP 552 Ca 0.38 0.00 -0.59 0.00 2.06 0.00 0.00 58.89 60.74 3hox h TRP 552 Cb 0.34 0.00 -0.10 0.00 -1.00 0.00 0.00 29.16 28.40 3hox h TRP 552 CO -0.07 0.00 0.71 0.08 -3.56 0.00 0.00 178.44 175.60 3hox s VAL 553 N -4.62 4.29 -1.65 1.49 1.01 -0.89 -4.87 120.40 115.15 3hox s VAL 553 Ca -0.04 0.64 0.00 0.00 0.00 0.00 0.00 61.98 62.57 3hox s VAL 553 Cb 0.15 -4.57 0.00 0.00 0.00 0.00 0.00 36.38 31.96 3hox s VAL 553 CO 0.55 -1.10 0.19 -0.81 0.00 0.00 0.00 175.10 173.93 3hox n PRO 554 N 7.69 0.00 -0.01 2.72 -0.04 -1.26 -2.61 135.00 141.50 3hox n PRO 554 Ca 0.05 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.48 3hox n PRO 554 Cb 0.48 -1.23 -0.01 0.00 -0.04 0.00 0.00 33.50 32.70 3hox n PRO 554 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3hox n ASP 555 N -0.65 0.57 0.00 3.54 8.00 -1.26 -5.08 116.55 121.67 3hox n ASP 555 Ca 0.00 0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.58 3hox n ASP 555 Cb 0.00 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 40.90 3hox n ASP 555 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 3hox n TRP 556 N -3.32 0.00 0.40 1.24 -0.00 -1.07 -4.60 117.44 110.09 3hox n TRP 556 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.44 3hox n TRP 556 Cb 0.41 0.00 0.01 0.00 -0.00 0.00 0.00 31.31 31.73 3hox n TRP 556 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 3hox n ASP 557 N 0.00 0.00 -3.63 5.87 5.68 -1.26 -4.75 116.55 118.46 3hox n ASP 557 Ca 0.00 -0.39 -0.23 0.00 -0.50 0.00 0.00 54.79 53.67 3hox n ASP 557 Cb 0.00 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.05 3hox n ASP 557 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hox n GLY 558 N -0.31 -0.47 2.59 6.12 0.00 -1.26 -4.96 105.19 106.90 3hox n GLY 558 Ca 0.00 0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 3hox n GLY 558 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hox s VAL 559 N -3.36 1.03 -0.26 1.61 1.01 -1.26 -5.09 120.40 114.07 3hox s VAL 559 Ca 0.40 -2.61 -0.41 0.00 0.00 0.00 0.00 61.98 59.36 3hox s VAL 559 Cb -0.19 -1.71 -0.17 0.00 0.00 0.00 0.00 36.38 34.31 3hox s VAL 559 CO 0.76 -1.02 1.62 -0.38 0.00 0.00 0.00 175.10 176.08 3hox n ILE 560 N 3.27 0.18 -3.10 2.22 5.41 -1.26 -4.89 119.36 121.20 3hox n ILE 560 Ca 0.16 -0.03 -0.39 0.00 1.00 0.00 0.00 62.75 63.49 3hox n ILE 560 Cb 0.39 -0.95 -0.05 0.00 -0.71 0.00 0.00 39.64 38.31 3hox n ILE 560 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3hox s PRO 561 N 2.81 4.41 0.07 0.38 0.04 -1.26 -5.00 135.00 136.45 3hox s PRO 561 Ca 0.97 0.91 -0.37 0.00 0.04 0.00 0.00 61.00 62.55 3hox s PRO 561 Cb -1.15 -3.34 -0.17 0.00 0.04 0.00 0.00 34.50 29.87 3hox s PRO 561 CO 0.66 0.36 1.28 0.25 0.04 0.00 0.00 177.00 179.58 3hox n THR 562 N 2.64 0.04 -1.61 1.26 -2.24 -1.26 -4.90 114.28 108.21 3hox n THR 562 Ca -0.05 -0.01 -0.36 0.00 -2.27 0.00 0.00 64.05 61.36 3hox n THR 562 Cb 0.50 -0.66 0.08 0.00 -2.10 0.00 0.00 70.33 68.15 3hox n THR 562 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 3hox s PRO 563 N 0.35 2.36 0.13 -0.78 0.02 -1.26 -4.89 135.00 130.94 3hox s PRO 563 Ca 0.85 1.99 -0.10 0.00 0.02 0.00 0.00 61.00 63.76 3hox s PRO 563 Cb -1.01 -1.83 -0.07 0.00 0.02 0.00 0.00 34.50 31.61 3hox s PRO 563 CO 0.49 -1.72 1.40 0.00 -0.33 0.00 0.00 177.00 176.84 3hox h ALA 564 N 0.24 0.47 -2.92 -1.55 0.00 -1.82 -3.40 119.26 110.27 3hox h ALA 564 Ca -0.50 -0.54 -0.65 0.00 0.00 0.00 0.00 54.91 53.23 3hox h ALA 564 Cb 1.33 -0.06 -0.20 0.00 0.00 0.00 0.00 17.79 18.85 3hox h ALA 564 CO 0.52 0.69 -0.58 0.42 0.00 0.00 0.00 179.25 180.30 3hox s ILE 565 N -4.01 4.76 -0.18 0.00 1.01 -0.94 -4.92 121.20 116.91 3hox s ILE 565 Ca -0.10 -0.05 -0.05 0.00 0.00 0.00 0.00 60.65 60.46 3hox s ILE 565 Cb 0.10 -3.26 -0.09 0.00 0.01 0.00 0.00 42.46 39.22 3hox s ILE 565 CO 0.89 0.28 -0.20 -0.38 0.00 0.00 0.00 174.94 175.53 3hox n ILE 566 N 4.99 0.98 0.00 2.92 5.41 -1.26 -0.04 119.36 132.36 3hox n ILE 566 Ca -0.15 -0.30 0.00 0.00 1.00 0.00 0.00 62.75 63.30 3hox n ILE 566 Cb 0.51 -1.47 0.00 0.00 -0.71 0.00 0.00 39.64 37.98 3hox n ILE 566 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 3hox n LYS 567 N -3.46 0.00 0.21 0.38 2.85 -1.26 -3.64 118.16 113.24 3hox n LYS 567 Ca -0.33 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 56.78 3hox n LYS 567 Cb 0.78 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 35.08 3hox n LYS 567 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 177.40 176.35 3hox h PRO 568 N 0.00 -0.48 -5.76 -1.58 0.13 -2.05 -3.43 132.00 118.83 3hox h PRO 568 Ca 0.00 0.03 -0.69 0.00 -0.87 0.00 0.00 66.00 64.48 3hox h PRO 568 Cb 0.00 0.11 -0.32 0.00 0.13 0.00 0.00 31.00 30.92 3hox h PRO 568 CO 0.00 -0.32 -0.88 0.21 -0.23 0.00 0.00 178.00 176.78 3hox s LYS 569 N -6.11 2.74 -0.35 0.86 2.20 -1.25 -5.08 119.74 112.74 3hox s LYS 569 Ca -0.16 -0.89 -0.29 0.00 -0.36 0.00 0.00 55.97 54.27 3hox s LYS 569 Cb 0.05 -2.22 -0.00 0.00 -1.51 0.00 0.00 37.83 34.15 3hox s LYS 569 CO 0.64 0.31 1.48 -1.25 -0.36 0.00 0.00 175.35 176.16 3hox s PRO 570 N 0.02 3.63 0.10 4.03 0.04 -1.24 -4.38 135.00 137.20 3hox s PRO 570 Ca -0.09 1.16 0.08 0.00 0.04 0.00 0.00 61.00 62.20 3hox s PRO 570 Cb -0.15 -4.02 -0.04 0.00 0.04 0.00 0.00 34.50 30.32 3hox s PRO 570 CO 0.06 -1.49 -0.17 -0.51 0.04 0.00 0.00 177.00 174.92 3hox s LEU 571 N 5.42 2.70 0.09 -3.56 1.02 0.95 -4.24 118.68 121.05 3hox s LEU 571 Ca 0.64 -0.51 0.09 0.00 0.02 0.00 0.00 54.13 54.37 3hox s LEU 571 Cb -0.17 -1.56 -0.04 0.00 0.02 0.00 0.00 46.19 44.44 3hox s LEU 571 CO 0.31 0.20 -0.21 0.26 0.02 0.00 0.00 176.35 176.93 3hox s TRP 572 N -1.09 2.47 0.01 0.29 0.51 0.88 -2.22 118.94 119.79 3hox s TRP 572 Ca 0.17 -0.30 -0.07 0.00 -2.12 0.00 0.00 56.10 53.78 3hox s TRP 572 Cb -0.11 -1.37 -0.05 0.00 -0.81 0.00 0.00 33.47 31.14 3hox s TRP 572 CO 0.09 0.31 0.27 -1.54 -0.51 0.00 0.00 176.95 175.57 3hox s SER 573 N -1.81 6.51 0.05 2.95 1.04 -1.26 0.16 113.70 121.33 3hox s SER 573 Ca 0.15 0.58 -0.11 0.00 0.48 0.00 0.00 55.95 57.05 3hox s SER 573 Cb -0.10 -2.10 -0.03 0.00 0.10 0.00 0.00 66.02 63.89 3hox s SER 573 CO 0.07 0.25 1.18 1.23 0.98 0.00 0.00 173.24 176.96 3hox h GLY 574 N 4.02 -1.93 -0.93 7.32 0.00 -1.58 0.42 103.07 110.39 3hox h GLY 574 Ca -0.50 0.96 0.18 0.00 0.00 0.00 0.00 47.33 47.97 3hox h GLY 574 CO 0.66 -0.62 -0.25 0.28 0.00 0.00 0.00 176.54 176.60 3hox n LYS 575 N -3.71 -0.11 -0.01 4.80 5.02 -1.23 -1.13 118.16 121.79 3hox n LYS 575 Ca 0.00 1.45 -0.01 0.00 -2.02 0.00 0.00 58.31 57.74 3hox n LYS 575 Cb 0.10 -2.17 -0.00 0.00 -0.02 0.00 0.00 35.03 32.94 3hox n LYS 575 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 3hox h GLN 576 N 0.00 -0.01 -0.22 1.97 4.20 -0.49 0.22 115.11 120.77 3hox h GLN 576 Ca 0.43 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.13 3hox h GLN 576 Cb 0.66 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 3hox h GLN 576 CO -0.95 -0.01 0.09 -0.84 -0.67 0.00 0.00 178.83 176.45 3hox h ILE 577 N -0.01 1.16 -1.20 2.54 3.07 -0.98 -2.24 117.51 119.84 3hox h ILE 577 Ca 0.00 -0.47 0.41 0.00 1.55 0.00 0.00 64.86 66.35 3hox h ILE 577 Cb 0.02 1.06 -0.14 0.00 -0.27 0.00 0.00 36.82 37.50 3hox h ILE 577 CO -0.03 0.16 0.74 0.25 -1.05 0.00 0.00 178.15 178.22 3hox h LEU 578 N 0.21 0.31 -0.36 0.16 5.85 -0.53 1.78 115.31 122.74 3hox h LEU 578 Ca 0.07 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.96 3hox h LEU 578 Cb 0.16 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.34 3hox h LEU 578 CO -0.01 -0.21 0.00 -1.20 -0.34 0.00 0.00 178.44 176.68 3hox n SER 579 N -4.85 0.27 0.10 1.25 7.64 0.71 -1.32 113.62 117.41 3hox n SER 579 Ca 0.36 0.58 0.12 0.00 1.01 0.00 0.00 58.87 60.93 3hox n SER 579 Cb 1.31 -0.63 0.46 0.00 -1.01 0.00 0.00 64.21 64.33 3hox n SER 579 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3hox n VAL 580 N -1.81 0.77 0.10 0.44 0.31 0.61 -2.20 118.33 116.55 3hox n VAL 580 Ca 0.02 0.12 -0.22 0.00 -0.01 0.00 0.00 64.34 64.25 3hox n VAL 580 Cb 0.15 -1.00 -0.15 0.00 -0.91 0.00 0.00 33.84 31.94 3hox n VAL 580 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hox h ALA 581 N 2.38 0.06 -1.98 3.52 0.00 -1.31 -3.44 119.26 118.49 3hox h ALA 581 Ca 0.00 -1.02 -0.57 0.00 0.00 0.00 0.00 54.91 53.32 3hox h ALA 581 Cb 0.43 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 3hox h ALA 581 CO 0.00 0.93 1.09 0.42 0.00 0.00 0.00 179.25 181.69 3hox s ILE 582 N -2.60 3.82 0.35 0.00 1.01 -0.93 -4.87 121.20 117.97 3hox s ILE 582 Ca -0.12 0.91 -0.05 0.00 0.00 0.00 0.00 60.65 61.40 3hox s ILE 582 Cb 0.05 -3.88 0.08 0.00 0.01 0.00 0.00 42.46 38.72 3hox s ILE 582 CO 0.89 -0.40 0.17 -0.81 0.00 0.00 0.00 174.94 174.79 3hox n PRO 583 N 7.67 -1.31 -3.53 2.79 -0.04 -1.26 -4.69 135.00 134.62 3hox n PRO 583 Ca 0.18 -0.29 -0.24 0.00 -0.04 0.00 0.00 63.50 63.10 3hox n PRO 583 Cb 0.46 -0.48 -0.02 0.00 -0.04 0.00 0.00 33.50 33.42 3hox n PRO 583 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3hox s ASN 584 N -1.90 6.33 0.00 3.54 0.01 -1.26 -3.94 114.94 117.71 3hox s ASN 584 Ca 0.14 0.39 0.00 0.00 -0.71 0.00 0.00 52.86 52.68 3hox s ASN 584 Cb -0.02 -2.01 0.00 0.00 0.41 0.00 0.00 41.25 39.63 3hox s ASN 584 CO 0.11 -0.20 0.00 0.61 -1.51 0.00 0.00 177.10 176.11 3hox n GLY 585 N -1.46 1.85 3.62 0.66 0.00 -1.23 -4.75 105.19 103.89 3hox n GLY 585 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 3hox n GLY 585 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hox s ILE 586 N -2.49 3.50 -0.12 -0.61 -1.09 -1.26 -4.65 121.20 114.49 3hox s ILE 586 Ca 0.00 0.56 -0.02 0.00 -2.23 0.00 0.00 60.65 58.96 3hox s ILE 586 Cb 0.00 -3.55 -0.03 0.00 -1.58 0.00 0.00 42.46 37.30 3hox s ILE 586 CO 0.00 -0.26 -0.05 -2.28 -1.23 0.00 0.00 174.94 171.13 3hox s HIS 587 N 5.86 3.01 -0.09 3.97 2.46 -1.26 -2.07 115.29 127.16 3hox s HIS 587 Ca 0.78 -0.14 -0.12 0.00 0.47 0.00 0.00 55.06 56.06 3hox s HIS 587 Cb -0.27 -1.85 0.03 0.00 -0.13 0.00 0.00 32.58 30.36 3hox s HIS 587 CO 0.32 0.15 0.31 -1.17 -2.47 0.00 0.00 174.74 171.88 3hox s LEU 588 N -0.20 0.83 -0.08 8.88 2.96 0.02 -5.00 118.68 126.09 3hox s LEU 588 Ca 0.03 0.49 -0.05 0.00 -0.22 0.00 0.00 54.13 54.38 3hox s LEU 588 Cb -0.13 1.12 0.04 0.00 0.50 0.00 0.00 46.19 47.71 3hox s LEU 588 CO 0.02 -0.20 0.19 -1.58 -1.32 0.00 0.00 176.35 173.47 3hox s GLN 589 N -0.22 0.17 0.00 1.98 0.74 -1.25 -1.52 119.66 119.55 3hox s GLN 589 Ca -0.04 0.40 0.00 0.00 0.05 0.00 0.00 55.36 55.77 3hox s GLN 589 Cb -0.03 -0.08 0.00 0.00 1.10 0.00 0.00 33.01 34.00 3hox s GLN 589 CO 0.01 -0.13 0.00 -2.13 -0.55 0.00 0.00 175.29 172.50 3hox n ARG 590 N 3.87 0.00 -0.86 1.67 3.00 0.35 -4.94 116.66 119.75 3hox n ARG 590 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.63 3hox n ARG 590 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.00 3hox n ARG 590 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 3hox n PHE 591 N -0.18 0.00 0.00 -0.14 0.99 -1.26 -4.89 117.46 111.98 3hox n PHE 591 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3hox n PHE 591 Cb 0.00 -0.86 0.00 0.00 -1.00 0.00 0.00 39.48 37.62 3hox n PHE 591 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 3hox n ASP 592 N -0.09 0.00 0.00 4.37 8.00 -1.26 -4.85 116.55 122.71 3hox n ASP 592 Ca 0.00 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.55 3hox n ASP 592 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3hox n ASP 592 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3hox n GLU 593 N -0.16 0.00 -0.32 -1.24 2.13 -1.26 -4.78 120.64 115.02 3hox n GLU 593 Ca 0.00 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.77 3hox n GLU 593 Cb 0.00 0.00 0.03 0.00 0.27 0.00 0.00 31.44 31.74 3hox n GLU 593 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hox n GLY 594 N 4.06 2.58 3.77 8.31 0.00 -1.26 -4.91 105.19 117.74 3hox n GLY 594 Ca 0.00 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 3hox n GLY 594 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hox s THR 595 N -0.62 3.02 -0.32 2.61 2.01 -1.26 -4.46 115.64 116.63 3hox s THR 595 Ca 0.10 0.65 0.08 0.00 0.31 0.00 0.00 61.69 62.83 3hox s THR 595 Cb 0.08 -3.27 0.29 0.00 0.01 0.00 0.00 72.50 69.61 3hox s THR 595 CO 0.01 -0.12 1.27 0.35 -0.69 0.00 0.00 174.62 175.44 3hox n THR 596 N -1.27 0.00 0.00 -0.82 -2.24 -1.26 -4.89 114.28 103.80 3hox n THR 596 Ca 0.12 -1.01 0.00 0.00 -2.27 0.00 0.00 64.05 60.89 3hox n THR 596 Cb 0.50 0.87 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 3hox n THR 596 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3hox n LEU 597 N -0.84 0.00 -0.69 3.22 4.32 -1.26 -3.60 117.00 118.15 3hox n LEU 597 Ca -0.12 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.87 3hox n LEU 597 Cb 0.78 -0.32 -0.00 0.00 -1.62 0.00 0.00 43.42 42.26 3hox n LEU 597 CO -0.10 0.00 0.23 -0.11 -1.22 0.00 0.00 177.39 176.18 3hox n LEU 598 N 0.00 0.09 0.00 2.23 0.00 -1.26 -5.09 117.00 112.97 3hox n LEU 598 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 56.01 54.79 3hox n LEU 598 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 3hox n LEU 598 CO 0.00 0.53 0.00 -1.54 0.00 0.00 0.00 177.39 176.38 3hox n SER 599 N 0.08 0.00 0.30 1.96 3.41 -1.24 -4.82 113.62 113.32 3hox n SER 599 Ca -0.01 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.48 3hox n SER 599 Cb 0.72 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.62 3hox n SER 599 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3hox h PRO 600 N 0.00 -0.76 0.00 4.33 0.13 -1.92 -2.70 132.00 131.09 3hox h PRO 600 Ca 0.00 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 3hox h PRO 600 Cb 0.00 0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.30 3hox h PRO 600 CO 0.00 -0.51 0.05 1.63 -0.23 0.00 0.00 178.00 178.94 3hox n LYS 601 N -4.51 0.00 -2.93 0.86 5.02 -1.26 -4.72 118.16 110.61 3hox n LYS 601 Ca -0.10 0.17 -0.10 0.00 -2.02 0.00 0.00 58.31 56.26 3hox n LYS 601 Cb 0.31 -1.55 0.05 0.00 -0.02 0.00 0.00 35.03 33.82 3hox n LYS 601 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3hox n ASP 602 N -1.11 -6.07 -0.84 4.39 2.03 -1.02 -4.92 116.55 109.01 3hox n ASP 602 Ca 0.00 -0.50 0.00 0.00 0.52 0.00 0.00 54.79 54.81 3hox n ASP 602 Cb 0.05 -4.48 0.00 0.00 -0.72 0.00 0.00 41.12 35.97 3hox n ASP 602 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3hox n ASN 603 N -2.71 0.00 0.00 1.67 4.13 -1.26 -3.24 115.26 113.85 3hox n ASN 603 Ca -0.05 -0.11 0.00 0.00 1.68 0.00 0.00 54.58 56.10 3hox n ASN 603 Cb 0.58 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.82 3hox n ASN 603 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hox n GLY 604 N 5.00 0.36 0.00 7.41 0.00 -1.26 -4.11 105.19 112.59 3hox n GLY 604 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3hox n GLY 604 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3hox n MET 605 N 2.11 0.00 -3.81 1.61 1.56 -1.26 -4.49 117.12 112.84 3hox n MET 605 Ca 0.00 0.00 -0.27 0.00 -0.27 0.00 0.00 57.70 57.16 3hox n MET 605 Cb 0.00 0.00 -0.17 0.00 2.15 0.00 0.00 33.22 35.20 3hox n MET 605 CO 0.00 0.00 0.00 -1.17 -0.73 0.00 0.00 175.97 174.07 3hox s LEU 606 N 0.00 1.25 -0.08 -0.89 2.96 -0.75 -0.50 118.68 120.67 3hox s LEU 606 Ca 0.00 -0.61 0.01 0.00 -0.22 0.00 0.00 54.13 53.31 3hox s LEU 606 Cb 0.00 -0.69 0.02 0.00 0.50 0.00 0.00 46.19 46.01 3hox s LEU 606 CO 0.00 -0.24 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.06 3hox s ILE 607 N 1.79 1.11 0.05 6.68 1.01 -0.58 0.14 121.20 131.40 3hox s ILE 607 Ca 0.01 -0.42 0.06 0.00 0.00 0.00 0.00 60.65 60.30 3hox s ILE 607 Cb -0.15 -1.05 -0.03 0.00 0.01 0.00 0.00 42.46 41.24 3hox s ILE 607 CO -0.07 0.36 -0.17 -0.63 0.00 0.00 0.00 174.94 174.42 3hox s ILE 608 N 1.03 1.39 -0.63 2.92 1.01 0.51 -0.80 121.20 126.63 3hox s ILE 608 Ca -0.08 -1.17 -0.03 0.00 0.00 0.00 0.00 60.65 59.37 3hox s ILE 608 Cb -0.15 -1.25 0.03 0.00 0.01 0.00 0.00 42.46 41.11 3hox s ILE 608 CO -0.01 0.05 0.11 -0.67 0.00 0.00 0.00 174.94 174.43 3hox n ASP 609 N 1.72 -2.29 -0.21 3.58 2.03 -1.24 0.42 116.55 120.56 3hox n ASP 609 Ca -0.18 0.15 -0.02 0.00 0.52 0.00 0.00 54.79 55.26 3hox n ASP 609 Cb 0.54 -2.01 -0.01 0.00 -0.72 0.00 0.00 41.12 38.92 3hox n ASP 609 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3hox n GLY 610 N -0.73 0.43 2.94 0.27 0.00 -0.88 -3.47 105.19 103.76 3hox n GLY 610 Ca -0.04 -0.90 -0.19 0.00 0.00 0.00 0.00 46.02 44.90 3hox n GLY 610 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hox s GLN 611 N -3.03 0.73 -0.16 1.61 -1.52 0.17 -4.56 119.66 112.90 3hox s GLN 611 Ca 0.00 -0.18 -0.29 0.00 -1.95 0.00 0.00 55.36 52.94 3hox s GLN 611 Cb 0.00 -0.72 -0.04 0.00 -0.22 0.00 0.00 33.01 32.03 3hox s GLN 611 CO 0.00 0.03 1.75 0.42 -0.25 0.00 0.00 175.29 177.24 3hox s ILE 612 N 0.40 3.49 -0.08 1.08 1.01 -1.26 -0.36 121.20 125.48 3hox s ILE 612 Ca -0.05 0.56 0.14 0.00 0.00 0.00 0.00 60.65 61.30 3hox s ILE 612 Cb -0.09 -3.48 -0.24 0.00 0.01 0.00 0.00 42.46 38.66 3hox s ILE 612 CO 0.00 -0.18 0.51 -0.38 0.00 0.00 0.00 174.94 174.89 3hox n ILE 613 N 6.35 1.55 -3.63 2.92 5.41 0.38 -4.87 119.36 127.48 3hox n ILE 613 Ca 0.20 -0.81 -0.03 0.00 1.00 0.00 0.00 62.75 63.11 3hox n ILE 613 Cb 0.44 -0.89 -0.04 0.00 -0.71 0.00 0.00 39.64 38.45 3hox n ILE 613 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 3hox s PHE 614 N -2.57 -0.09 0.00 1.39 -0.12 -1.05 -4.98 117.98 110.56 3hox s PHE 614 Ca -0.06 0.12 0.00 0.00 -0.05 0.00 0.00 56.93 56.94 3hox s PHE 614 Cb 0.07 0.49 0.00 0.00 -0.63 0.00 0.00 43.02 42.96 3hox s PHE 614 CO 0.83 -0.10 0.00 0.41 -0.05 0.00 0.00 175.22 176.31 3hox n GLY 615 N 0.35 1.27 3.75 1.99 0.00 -1.26 -1.81 105.19 109.48 3hox n GLY 615 Ca -0.00 -1.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.19 3hox n GLY 615 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hox s VAL 616 N -1.28 3.05 -0.12 1.61 1.01 -1.20 -4.87 120.40 118.60 3hox s VAL 616 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.32 3hox s VAL 616 Cb 0.00 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.53 3hox s VAL 616 CO 0.00 -0.44 -0.14 -0.69 0.00 0.00 0.00 175.10 173.83 3hox s VAL 617 N -2.93 3.02 0.26 2.92 1.01 -1.26 -4.85 120.40 118.57 3hox s VAL 617 Ca 0.62 -0.68 -0.20 0.00 0.00 0.00 0.00 61.98 61.72 3hox s VAL 617 Cb -0.17 -2.26 0.07 0.00 0.00 0.00 0.00 36.38 34.02 3hox s VAL 617 CO 0.56 0.53 0.94 -1.83 0.00 0.00 0.00 175.10 175.30 3hox s GLU 618 N 0.26 1.65 0.00 2.72 4.04 -1.26 -3.41 118.70 122.69 3hox s GLU 618 Ca -0.10 -1.05 0.00 0.00 0.04 0.00 0.00 54.97 53.87 3hox s GLU 618 Cb -0.16 0.47 0.00 0.00 0.02 0.00 0.00 34.13 34.46 3hox s GLU 618 CO 0.05 -0.77 0.00 1.17 -1.84 0.00 0.00 175.26 173.87 3hox n LYS 619 N -0.62 0.00 0.24 -4.83 4.81 -1.04 0.14 118.16 116.86 3hox n LYS 619 Ca -0.05 0.00 0.17 0.00 -0.87 0.00 0.00 58.31 57.56 3hox n LYS 619 Cb 0.60 0.00 0.81 0.00 0.02 0.00 0.00 35.03 36.45 3hox n LYS 619 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 3hox h LYS 620 N 0.00 0.00 0.00 1.64 1.57 -1.95 0.15 116.57 117.99 3hox h LYS 620 Ca 0.00 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.47 3hox h LYS 620 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 3hox h LYS 620 CO 0.00 0.00 -2.00 2.41 -0.57 0.00 0.00 179.45 179.29 3hox n THR 621 N -3.25 1.24 -0.99 -0.16 -1.04 0.37 -4.68 114.28 105.76 3hox n THR 621 Ca 0.01 -0.23 0.07 0.00 -2.04 0.00 0.00 64.05 61.87 3hox n THR 621 Cb 0.45 -1.86 0.30 0.00 -1.82 0.00 0.00 70.33 67.40 3hox n THR 621 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 3hox n VAL 622 N -4.02 2.46 -2.68 12.58 3.14 -1.14 0.11 118.33 128.78 3hox n VAL 622 Ca -0.38 -1.77 0.00 0.00 -2.96 0.00 0.00 64.34 59.23 3hox n VAL 622 Cb 0.74 -0.27 0.00 0.00 -1.06 0.00 0.00 33.84 33.25 3hox n VAL 622 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3hox n GLY 623 N -0.21 2.45 1.96 7.55 0.00 0.53 -2.18 105.19 115.28 3hox n GLY 623 Ca 0.24 -2.09 -0.17 0.00 0.00 0.00 0.00 46.02 44.00 3hox n GLY 623 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hox n SER 624 N -1.49 6.39 -4.76 1.61 3.41 -1.26 -4.61 113.62 112.91 3hox n SER 624 Ca 0.00 -3.04 -0.29 0.00 -0.26 0.00 0.00 58.87 55.28 3hox n SER 624 Cb 0.00 -1.09 0.14 0.00 -0.26 0.00 0.00 64.21 62.99 3hox n SER 624 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3hox s SER 625 N 0.33 3.45 -0.00 4.04 1.04 -1.26 -4.56 113.70 116.74 3hox s SER 625 Ca 0.34 1.08 -0.24 0.00 0.48 0.00 0.00 55.95 57.61 3hox s SER 625 Cb 0.25 -1.70 -0.17 0.00 0.10 0.00 0.00 66.02 64.51 3hox s SER 625 CO -0.03 -2.60 1.18 -1.13 0.98 0.00 0.00 173.24 171.64 3hox h ASN 626 N -1.53 -0.30 -0.29 7.02 -0.73 -1.91 -3.02 115.58 114.82 3hox h ASN 626 Ca -0.51 -0.22 -0.04 0.00 1.87 0.00 0.00 56.30 57.41 3hox h ASN 626 Cb 1.32 0.08 -0.02 0.00 0.27 0.00 0.00 38.32 39.97 3hox h ASN 626 CO 0.60 0.10 0.05 0.61 -0.37 0.00 0.00 177.43 178.42 3hox n GLY 627 N -0.14 2.33 2.67 1.57 0.00 -1.26 -4.77 105.19 105.59 3hox n GLY 627 Ca -0.09 -0.43 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 3hox n GLY 627 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hox n GLY 628 N 0.20 -1.64 0.33 -0.02 0.00 -1.14 -4.61 105.19 98.30 3hox n GLY 628 Ca 0.15 0.18 0.10 0.00 0.00 0.00 0.00 46.02 46.45 3hox n GLY 628 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hox h LEU 629 N 0.62 0.31 0.04 0.99 7.12 -0.60 0.40 115.31 124.18 3hox h LEU 629 Ca -0.24 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 57.76 3hox h LEU 629 Cb 1.14 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 41.21 3hox h LEU 629 CO 0.43 0.20 -0.02 0.40 -0.13 0.00 0.00 178.44 179.31 3hox h ILE 630 N 0.35 1.34 -0.90 4.05 2.04 -1.82 -0.41 117.51 122.16 3hox h ILE 630 Ca 0.20 -1.58 0.21 0.00 1.00 0.00 0.00 64.86 64.69 3hox h ILE 630 Cb 0.35 2.33 -0.06 0.00 -0.74 0.00 0.00 36.82 38.70 3hox h ILE 630 CO -0.05 0.38 0.60 -0.74 0.00 0.00 0.00 178.15 178.34 3hox h HIS 631 N -0.80 0.50 0.00 1.37 2.76 -1.47 -0.58 115.15 116.93 3hox h HIS 631 Ca -0.01 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.17 3hox h HIS 631 Cb 0.66 -0.15 -0.00 0.00 1.55 0.00 0.00 27.41 29.47 3hox h HIS 631 CO 0.16 0.13 -0.07 0.28 -1.30 0.00 0.00 177.93 177.12 3hox h VAL 632 N 0.38 1.22 -0.85 5.26 2.07 -0.26 -3.12 116.25 120.94 3hox h VAL 632 Ca 0.46 -1.94 0.16 0.00 0.82 0.00 0.00 66.70 66.21 3hox h VAL 632 Cb 1.20 2.33 -0.10 0.00 -1.52 0.00 0.00 31.29 33.20 3hox h VAL 632 CO -0.17 0.41 0.42 0.58 0.02 0.00 0.00 177.57 178.83 3hox h VAL 633 N -1.00 0.67 0.57 2.57 2.07 -0.69 0.19 116.25 120.63 3hox h VAL 633 Ca -0.02 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 3hox h VAL 633 Cb 0.73 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3hox h VAL 633 CO -0.01 0.10 -0.39 0.74 0.02 0.00 0.00 177.57 178.03 3hox h THR 634 N 0.56 0.00 -0.84 2.57 2.02 -1.23 0.30 112.91 116.30 3hox h THR 634 Ca 0.48 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.72 3hox h THR 634 Cb 0.73 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.08 3hox h THR 634 CO -0.40 0.00 0.51 0.03 0.37 0.00 0.00 175.52 176.04 3hox h ARG 635 N -0.91 0.91 0.06 6.66 2.47 -1.42 -1.03 114.38 121.12 3hox h ARG 635 Ca -0.08 -0.05 -0.25 0.00 -1.26 0.00 0.00 59.98 58.34 3hox h ARG 635 Cb 0.74 -0.20 0.01 0.00 -1.65 0.00 0.00 29.97 28.86 3hox h ARG 635 CO 0.05 0.60 -1.08 1.49 0.56 0.00 0.00 179.97 181.59 3hox h GLU 636 N 0.94 0.42 -0.00 0.04 4.57 -0.47 -3.39 114.58 116.68 3hox h GLU 636 Ca 0.37 -0.53 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 3hox h GLU 636 Cb 0.17 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 3hox h GLU 636 CO -0.17 1.19 -0.12 1.63 -1.18 0.00 0.00 179.01 180.35 3hox n LYS 637 N -3.70 5.65 0.00 1.92 4.76 0.10 -5.06 118.16 121.83 3hox n LYS 637 Ca -0.09 -0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.31 3hox n LYS 637 Cb 0.91 -0.66 0.00 0.00 -1.84 0.00 0.00 35.03 33.44 3hox n LYS 637 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hox n GLY 638 N 1.01 3.18 0.00 0.72 0.00 -0.39 -4.46 105.19 105.25 3hox n GLY 638 Ca 0.01 -1.94 0.11 0.00 0.00 0.00 0.00 46.02 44.20 3hox n GLY 638 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hox n PRO 639 N -0.74 0.26 -0.04 1.61 -0.04 -1.26 -2.45 135.00 132.34 3hox n PRO 639 Ca 0.00 0.08 -0.02 0.00 -0.04 0.00 0.00 63.50 63.52 3hox n PRO 639 Cb 0.00 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 31.95 3hox n PRO 639 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3hox h GLN 640 N 0.00 0.00 -0.94 0.54 1.08 -1.88 -2.94 115.11 110.97 3hox h GLN 640 Ca 0.00 0.00 0.15 0.00 -1.45 0.00 0.00 58.65 57.35 3hox h GLN 640 Cb 0.24 0.00 -0.16 0.00 -0.05 0.00 0.00 27.48 27.51 3hox h GLN 640 CO 0.00 0.00 -0.36 0.28 -0.95 0.00 0.00 178.83 177.80 3hox h VAL 641 N -0.61 0.03 -0.19 -0.54 2.07 -1.77 0.56 116.25 115.79 3hox h VAL 641 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 3hox h VAL 641 Cb 0.27 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 3hox h VAL 641 CO 0.00 0.00 0.02 0.00 0.02 0.00 0.00 177.57 177.61 3hox h ALA 643 N 1.15 0.34 0.00 0.00 0.00 0.21 0.45 119.26 121.41 3hox h ALA 643 Ca 0.09 0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 3hox h ALA 643 Cb 0.09 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3hox h ALA 643 CO -0.13 -0.46 -0.14 -0.22 0.00 0.00 0.00 179.25 178.30 3hox h LYS 644 N -0.03 0.00 -0.45 0.00 3.64 -0.38 -3.07 116.57 116.29 3hox h LYS 644 Ca 0.29 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.66 3hox h LYS 644 Cb 0.47 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 3hox h LYS 644 CO -0.64 0.14 0.25 1.25 -2.27 0.00 0.00 179.45 178.19 3hox h LEU 645 N 0.00 0.56 -0.25 5.20 5.85 0.11 -0.20 115.31 126.58 3hox h LEU 645 Ca -0.00 -0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.70 3hox h LEU 645 Cb 0.55 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.36 3hox h LEU 645 CO 0.02 0.48 -0.34 -0.26 -0.34 0.00 0.00 178.44 178.00 3hox h PHE 646 N 0.59 -0.93 0.00 1.25 -1.00 -1.39 0.78 116.94 116.24 3hox h PHE 646 Ca 0.16 0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.99 3hox h PHE 646 Cb 0.04 0.45 0.00 0.00 3.61 0.00 0.00 35.95 40.04 3hox h PHE 646 CO -0.02 -0.40 0.00 0.41 -1.61 0.00 0.00 178.31 176.69 3hox n GLY 647 N -1.41 -3.46 0.32 -1.45 0.00 -0.65 -0.71 105.19 97.82 3hox n GLY 647 Ca -0.01 0.59 -0.08 0.00 0.00 0.00 0.00 46.02 46.51 3hox n GLY 647 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3hox h ASN 648 N 0.00 -1.61 -0.95 1.61 2.35 -0.88 0.51 115.58 116.61 3hox h ASN 648 Ca 0.00 0.24 0.11 0.00 -0.55 0.00 0.00 56.30 56.10 3hox h ASN 648 Cb 0.00 0.71 -0.13 0.00 0.05 0.00 0.00 38.32 38.95 3hox h ASN 648 CO 0.00 -0.18 -0.52 0.40 -1.65 0.00 0.00 177.43 175.47 3hox h ILE 649 N -0.02 0.01 -0.01 2.81 2.04 -0.65 -2.04 117.51 119.65 3hox h ILE 649 Ca 0.11 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.98 3hox h ILE 649 Cb 0.32 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.40 3hox h ILE 649 CO -0.69 0.00 -0.03 1.56 0.00 0.00 0.00 178.15 179.00 3hox h GLN 650 N -0.03 -0.03 -1.53 2.37 4.20 0.12 -1.91 115.11 118.30 3hox h GLN 650 Ca 0.21 0.00 0.47 0.00 0.06 0.00 0.00 58.65 59.39 3hox h GLN 650 Cb 0.48 0.01 -0.10 0.00 0.30 0.00 0.00 27.48 28.17 3hox h GLN 650 CO -0.92 -0.02 1.05 0.87 -0.67 0.00 0.00 178.83 179.14 3hox h LYS 651 N -0.03 0.05 0.00 1.46 1.57 -0.54 1.07 116.57 120.15 3hox h LYS 651 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hox h LYS 651 Cb 0.03 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3hox h LYS 651 CO -0.02 0.03 0.00 0.28 -0.57 0.00 0.00 179.45 179.17 3hox n VAL 652 N -4.37 0.00 -0.30 0.50 0.31 -0.94 -2.75 118.33 110.77 3hox n VAL 652 Ca 0.38 0.42 -0.08 0.00 -0.01 0.00 0.00 64.34 65.06 3hox n VAL 652 Cb 1.61 -1.10 -0.04 0.00 -0.91 0.00 0.00 33.84 33.39 3hox n VAL 652 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3hox h VAL 653 N 0.00 0.03 -0.73 2.52 2.07 -0.85 0.21 116.25 119.49 3hox h VAL 653 Ca 0.00 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.67 3hox h VAL 653 Cb 0.00 0.03 -0.14 0.00 -1.52 0.00 0.00 31.29 29.67 3hox h VAL 653 CO 0.00 0.00 -0.13 0.78 0.02 0.00 0.00 177.57 178.24 3hox h ASN 654 N -0.13 -0.59 -0.27 0.57 2.35 0.10 0.10 115.58 117.71 3hox h ASN 654 Ca 0.20 0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 56.14 3hox h ASN 654 Cb 0.53 0.42 -0.01 0.00 0.05 0.00 0.00 38.32 39.31 3hox h ASN 654 CO -0.82 -0.23 0.10 0.15 -1.65 0.00 0.00 177.43 174.98 3hox h PHE 655 N 0.02 0.43 0.19 1.19 3.57 -0.54 -1.33 116.94 120.48 3hox h PHE 655 Ca 0.36 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.82 3hox h PHE 655 Cb 0.58 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.20 3hox h PHE 655 CO -0.54 0.44 -0.11 2.35 -2.23 0.00 0.00 178.31 178.22 3hox h TRP 656 N 0.29 -0.29 -0.51 0.41 7.01 0.29 -1.56 115.95 121.59 3hox h TRP 656 Ca 0.09 -0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.18 3hox h TRP 656 Cb 0.20 0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 27.34 3hox h TRP 656 CO -0.00 -0.18 0.34 1.25 -2.79 0.00 0.00 178.44 177.07 3hox h LEU 657 N -0.29 0.27 -1.15 0.65 5.85 -0.76 -0.64 115.31 119.25 3hox h LEU 657 Ca -0.02 0.00 0.18 0.00 0.84 0.00 0.00 57.88 58.89 3hox h LEU 657 Cb 0.24 -0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.12 3hox h LEU 657 CO 0.03 0.17 0.61 0.25 -0.34 0.00 0.00 178.44 179.16 3hox h LEU 658 N 0.30 0.71 0.00 2.25 5.85 -0.18 0.37 115.31 124.61 3hox h LEU 658 Ca 0.23 0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.93 3hox h LEU 658 Cb 0.52 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 3hox h LEU 658 CO -0.05 0.28 -1.55 1.41 -0.34 0.00 0.00 178.44 178.19 3hox n HIS 659 N -4.67 0.61 0.08 1.25 8.25 -0.37 -4.08 115.22 116.30 3hox n HIS 659 Ca 0.22 0.19 -0.00 0.00 -0.26 0.00 0.00 57.72 57.86 3hox n HIS 659 Cb 0.57 -0.89 -0.04 0.00 1.12 0.00 0.00 29.99 30.75 3hox n HIS 659 CO 0.00 0.00 0.00 -0.97 0.64 0.00 0.00 176.34 176.01 3hox h ASN 660 N 0.00 0.00 -3.61 0.41 -1.24 -0.66 -3.50 115.58 106.98 3hox h ASN 660 Ca -0.11 0.00 0.30 0.00 0.71 0.00 0.00 56.30 57.20 3hox h ASN 660 Cb 1.33 0.00 -0.14 0.00 0.73 0.00 0.00 38.32 40.24 3hox h ASN 660 CO 0.02 0.63 -0.88 0.61 -1.29 0.00 0.00 177.43 176.52 3hox n GLY 661 N 1.32 -2.82 3.47 1.57 0.00 0.12 -5.06 105.19 103.79 3hox n GLY 661 Ca -0.03 -1.14 -0.11 0.00 0.00 0.00 0.00 46.02 44.73 3hox n GLY 661 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hox s PHE 662 N -3.46 -0.46 0.00 1.61 5.36 -1.26 -5.00 117.98 114.77 3hox s PHE 662 Ca 0.00 0.38 0.00 0.00 -0.96 0.00 0.00 56.93 56.35 3hox s PHE 662 Cb 0.00 0.53 0.00 0.00 -0.34 0.00 0.00 43.02 43.21 3hox s PHE 662 CO 0.00 -0.67 0.00 0.45 -1.46 0.00 0.00 175.22 173.54 3hox n SER 663 N -0.14 0.00 -3.63 6.13 2.88 -1.26 -5.19 113.62 112.42 3hox n SER 663 Ca -0.13 -0.39 -0.03 0.00 -1.33 0.00 0.00 58.87 56.98 3hox n SER 663 Cb 0.63 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.05 3hox n SER 663 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3hox s THR 664 N -2.62 0.00 0.00 2.46 -1.32 -1.26 -4.77 115.64 108.13 3hox s THR 664 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 3hox s THR 664 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 3hox s THR 664 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 3hox n GLY 665 N 0.35 2.45 0.00 6.08 0.00 -1.26 -5.03 105.19 107.78 3hox n GLY 665 Ca -0.00 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3hox n GLY 665 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3hox n ILE 666 N -0.28 0.00 -0.41 -0.61 -6.64 -1.26 -1.04 119.36 109.11 3hox n ILE 666 Ca 0.00 0.00 0.34 0.00 -1.77 0.00 0.00 62.75 61.32 3hox n ILE 666 Cb 0.00 0.00 0.61 0.00 -1.44 0.00 0.00 39.64 38.81 3hox n ILE 666 CO 0.00 0.00 0.00 1.23 -1.77 0.00 0.00 176.55 176.01 3hox h GLY 667 N 0.00 1.48 0.67 3.28 0.00 -1.96 1.99 103.07 108.53 3hox h GLY 667 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.19 3hox h GLY 667 CO 0.00 -0.43 0.00 1.22 0.00 0.00 0.00 176.54 177.33 3hox n ASP 668 N -4.78 0.29 -0.00 0.19 8.00 -0.21 -3.67 116.55 116.36 3hox n ASP 668 Ca 0.36 -1.14 0.08 0.00 0.71 0.00 0.00 54.79 54.79 3hox n ASP 668 Cb 1.33 -0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 42.31 3hox n ASP 668 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3hox n THR 669 N -0.75 0.00 -3.26 -3.53 -2.24 0.67 -4.73 114.28 100.43 3hox n THR 669 Ca 0.22 -0.25 -0.39 0.00 -2.27 0.00 0.00 64.05 61.37 3hox n THR 669 Cb 0.15 0.58 -0.06 0.00 -2.10 0.00 0.00 70.33 68.90 3hox n THR 669 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3hox s ILE 670 N -2.81 5.14 0.41 2.28 1.01 -1.14 -3.89 121.20 122.20 3hox s ILE 670 Ca 0.00 1.00 -0.15 0.00 0.00 0.00 0.00 60.65 61.50 3hox s ILE 670 Cb 0.11 -3.85 -0.08 0.00 0.01 0.00 0.00 42.46 38.65 3hox s ILE 670 CO 0.67 0.25 0.83 0.00 0.00 0.00 0.00 174.94 176.69 3hox s ALA 671 N 1.09 3.23 0.32 9.38 0.00 -1.26 -5.00 121.76 129.52 3hox s ALA 671 Ca 0.26 0.04 -0.25 0.00 0.00 0.00 0.00 51.96 52.01 3hox s ALA 671 Cb -0.15 -2.88 -0.15 0.00 0.00 0.00 0.00 23.12 19.94 3hox s ALA 671 CO 0.10 0.06 0.62 -3.47 0.00 0.00 0.00 175.76 173.07 3hox n ASP 672 N -1.00 -0.60 -0.11 0.00 2.03 -1.26 -4.69 116.55 110.93 3hox n ASP 672 Ca 0.04 1.04 -0.03 0.00 0.52 0.00 0.00 54.79 56.36 3hox n ASP 672 Cb 0.54 -1.09 -0.03 0.00 -0.72 0.00 0.00 41.12 39.82 3hox n ASP 672 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 3hox h GLY 673 N 1.13 -2.06 1.10 0.27 0.00 -2.00 -0.26 103.07 101.25 3hox h GLY 673 Ca -0.36 1.01 -0.08 0.00 0.00 0.00 0.00 47.33 47.89 3hox h GLY 673 CO 0.55 -0.68 0.09 -0.56 0.00 0.00 0.00 176.54 175.94 3hox h PRO 674 N -0.03 1.09 0.00 4.80 0.13 -1.99 -1.66 132.00 134.34 3hox h PRO 674 Ca 0.04 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3hox h PRO 674 Cb 0.13 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.14 3hox h PRO 674 CO -0.26 1.01 0.09 1.15 -0.23 0.00 0.00 178.00 179.76 3hox h THR 675 N 1.02 0.00 0.00 1.56 2.02 -1.79 1.02 112.91 116.74 3hox h THR 675 Ca 0.20 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.38 3hox h THR 675 Cb 0.45 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 3hox h THR 675 CO 0.01 0.00 -0.12 0.24 0.37 0.00 0.00 175.52 176.03 3hox h MET 676 N 0.00 0.00 -0.48 6.66 2.86 -0.12 -3.13 114.93 120.71 3hox h MET 676 Ca 0.00 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.74 3hox h MET 676 Cb 0.19 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 31.75 3hox h MET 676 CO 0.00 0.00 -0.20 -0.09 1.06 0.00 0.00 176.91 177.68 3hox h ARG 677 N -0.95 -0.09 -0.70 1.72 1.12 -0.74 1.01 114.38 115.76 3hox h ARG 677 Ca 0.00 0.01 0.20 0.00 -1.11 0.00 0.00 59.98 59.08 3hox h ARG 677 Cb 0.12 0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 30.07 3hox h ARG 677 CO 0.00 -0.06 0.70 1.49 -3.11 0.00 0.00 179.97 178.99 3hox h GLU 678 N -0.09 0.00 0.15 0.20 4.81 0.88 0.37 114.58 120.89 3hox h GLU 678 Ca 0.23 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 59.13 3hox h GLU 678 Cb 0.45 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 3hox h GLU 678 CO -0.55 0.00 -1.69 0.82 -0.73 0.00 0.00 179.01 176.87 3hox h ILE 679 N 0.00 0.89 -0.01 2.32 2.04 0.97 -3.11 117.51 120.62 3hox h ILE 679 Ca 0.33 -2.43 0.00 0.00 1.00 0.00 0.00 64.86 63.77 3hox h ILE 679 Cb 1.73 2.68 -0.00 0.00 -0.74 0.00 0.00 36.82 40.49 3hox h ILE 679 CO -0.00 0.81 0.10 0.74 0.00 0.00 0.00 178.15 179.79 3hox h THR 680 N -0.06 0.04 0.00 -0.27 2.02 0.24 0.30 112.91 115.19 3hox h THR 680 Ca -0.35 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 66.67 3hox h THR 680 Cb 1.96 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 69.24 3hox h THR 680 CO 0.11 0.00 -1.86 -1.84 0.37 0.00 0.00 175.52 172.30 3hox n GLU 681 N -3.09 0.65 0.07 6.66 0.28 -0.81 -2.15 120.64 122.26 3hox n GLU 681 Ca -0.03 0.01 -0.01 0.00 -0.16 0.00 0.00 57.16 56.97 3hox n GLU 681 Cb 0.16 -1.63 0.26 0.00 1.43 0.00 0.00 31.44 31.66 3hox n GLU 681 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 3hox h THR 682 N 0.00 1.26 0.00 3.84 2.02 -0.46 0.21 112.91 119.78 3hox h THR 682 Ca -0.21 -1.25 0.00 0.00 0.77 0.00 0.00 66.41 65.72 3hox h THR 682 Cb 1.54 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 69.41 3hox h THR 682 CO 0.02 0.38 0.00 -0.38 0.37 0.00 0.00 175.52 175.92 3hox n ILE 683 N -4.12 0.00 -0.11 3.11 5.41 0.30 -3.33 119.36 120.63 3hox n ILE 683 Ca -0.01 0.52 -0.02 0.00 1.00 0.00 0.00 62.75 64.24 3hox n ILE 683 Cb 0.40 -1.11 -0.01 0.00 -0.71 0.00 0.00 39.64 38.22 3hox n ILE 683 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hox n ALA 684 N -1.11 -0.11 -0.26 -1.39 0.00 -0.91 0.92 120.51 117.66 3hox n ALA 684 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.69 3hox n ALA 684 Cb 0.00 -0.08 0.12 0.00 0.00 0.00 0.00 19.45 19.50 3hox n ALA 684 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3hox h GLU 685 N 0.00 0.71 0.00 0.00 -0.00 -1.11 0.76 114.58 114.94 3hox h GLU 685 Ca 0.07 -0.04 -0.02 0.00 -0.00 0.00 0.00 59.36 59.36 3hox h GLU 685 Cb 0.13 -0.16 -0.00 0.00 -0.00 0.00 0.00 28.75 28.72 3hox h GLU 685 CO -0.26 0.47 -0.09 0.00 -0.00 0.00 0.00 179.01 179.13 3hox h ALA 686 N 1.39 1.44 -0.12 1.06 0.00 0.55 0.30 119.26 123.88 3hox h ALA 686 Ca 0.34 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.18 3hox h ALA 686 Cb 0.25 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3hox h ALA 686 CO -0.21 0.11 0.02 0.87 0.00 0.00 0.00 179.25 180.05 3hox h LYS 687 N 0.00 0.07 -0.06 0.00 1.57 0.12 -2.05 116.57 116.21 3hox h LYS 687 Ca -0.00 -0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.54 3hox h LYS 687 Cb 0.23 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.53 3hox h LYS 687 CO 0.01 0.04 -0.90 -0.22 -0.57 0.00 0.00 179.45 177.82 3hox h LYS 688 N 0.07 0.64 -0.05 3.15 3.64 -0.68 -0.31 116.57 123.04 3hox h LYS 688 Ca 0.05 -0.61 0.01 0.00 -1.27 0.00 0.00 60.65 58.84 3hox h LYS 688 Cb 0.05 0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3hox h LYS 688 CO -0.07 1.22 0.61 -0.22 -2.27 0.00 0.00 179.45 178.71 3hox h LYS 689 N 0.40 0.00 0.00 1.90 3.64 -0.14 0.14 116.57 122.50 3hox h LYS 689 Ca -0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3hox h LYS 689 Cb 1.53 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.35 3hox h LYS 689 CO 0.17 0.00 -0.53 0.28 -2.27 0.00 0.00 179.45 177.10 3hox n VAL 690 N -2.79 1.27 -0.27 2.00 0.31 -0.80 -4.08 118.33 113.97 3hox n VAL 690 Ca -0.00 0.24 0.09 0.00 -0.01 0.00 0.00 64.34 64.65 3hox n VAL 690 Cb 0.65 -2.28 0.18 0.00 -0.91 0.00 0.00 33.84 31.48 3hox n VAL 690 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 3hox n LEU 691 N -4.33 -0.16 0.00 7.52 7.94 -0.07 -1.25 117.00 126.65 3hox n LEU 691 Ca -0.07 1.32 0.00 0.00 -1.11 0.00 0.00 56.01 56.14 3hox n LEU 691 Cb 0.28 -0.45 0.00 0.00 0.53 0.00 0.00 43.42 43.78 3hox n LEU 691 CO 0.11 -1.30 0.50 0.47 -1.11 0.00 0.00 177.39 176.06 3hox n ASP 692 N -5.15 0.00 0.07 1.96 8.00 -0.56 -1.66 116.55 119.21 3hox n ASP 692 Ca 0.16 1.00 0.15 0.00 0.71 0.00 0.00 54.79 56.80 3hox n ASP 692 Cb 0.51 -0.50 0.27 0.00 -0.02 0.00 0.00 41.12 41.39 3hox n ASP 692 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3hox h VAL 693 N 0.00 0.02 0.02 2.53 2.07 -1.32 0.82 116.25 120.39 3hox h VAL 693 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 3hox h VAL 693 Cb 0.00 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.83 3hox h VAL 693 CO 0.00 0.00 -0.01 0.74 0.02 0.00 0.00 177.57 178.32 3hox h THR 694 N 0.00 1.39 -0.46 2.57 2.02 -0.56 -3.05 112.91 114.82 3hox h THR 694 Ca 0.24 -1.84 -0.11 0.00 0.77 0.00 0.00 66.41 65.46 3hox h THR 694 Cb 2.33 2.53 -0.02 0.00 -1.74 0.00 0.00 68.15 71.26 3hox h THR 694 CO -0.00 0.44 -0.17 0.11 0.37 0.00 0.00 175.52 176.26 3hox h LYS 695 N -0.91 0.89 0.00 6.66 1.57 0.14 -1.67 116.57 123.25 3hox h LYS 695 Ca -0.00 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 3hox h LYS 695 Cb 0.74 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.00 3hox h LYS 695 CO 0.01 0.99 0.00 -1.91 -0.57 0.00 0.00 179.45 177.96 3hox n GLU 696 N -4.13 0.01 -0.00 3.15 2.13 0.85 0.07 120.64 122.72 3hox n GLU 696 Ca 0.01 0.34 0.01 0.00 0.66 0.00 0.00 57.16 58.18 3hox n GLU 696 Cb 0.42 -1.50 -0.02 0.00 0.27 0.00 0.00 31.44 30.61 3hox n GLU 696 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3hox n ALA 697 N -1.35 2.33 0.42 4.31 0.00 -0.84 -3.01 120.51 122.37 3hox n ALA 697 Ca 0.00 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.48 3hox n ALA 697 Cb 0.01 -0.10 0.11 0.00 0.00 0.00 0.00 19.45 19.47 3hox n ALA 697 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3hox h GLN 698 N 0.00 0.00 -0.00 0.00 4.20 0.53 -3.23 115.11 116.61 3hox h GLN 698 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3hox h GLN 698 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3hox h GLN 698 CO 0.00 0.00 -0.64 0.00 -0.67 0.00 0.00 178.83 177.52 3hox n ALA 699 N -1.94 3.89 -2.45 3.87 0.00 -0.20 -4.96 120.51 118.73 3hox n ALA 699 Ca 0.02 -0.43 -0.06 0.00 0.00 0.00 0.00 53.44 52.97 3hox n ALA 699 Cb 0.47 -1.01 0.01 0.00 0.00 0.00 0.00 19.45 18.92 3hox n ALA 699 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hox n ASN 700 N -1.45 -2.79 -2.11 0.00 5.15 -1.22 -4.98 115.26 107.86 3hox n ASN 700 Ca 0.05 -0.08 -0.28 0.00 -0.60 0.00 0.00 54.58 53.68 3hox n ASN 700 Cb 0.34 -1.75 0.05 0.00 -0.53 0.00 0.00 39.78 37.89 3hox n ASN 700 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3hox n LEU 701 N -1.28 6.04 -4.00 1.20 4.77 -1.16 -4.99 117.00 117.57 3hox n LEU 701 Ca -0.03 -4.51 -0.25 0.00 -0.03 0.00 0.00 56.01 51.19 3hox n LEU 701 Cb 0.54 -0.62 -0.17 0.00 -2.33 0.00 0.00 43.42 40.84 3hox n LEU 701 CO 0.13 1.80 -0.46 -0.76 -1.33 0.00 0.00 177.39 176.77 3hox s LEU 702 N -3.67 1.57 -0.36 2.23 1.43 -1.25 -4.92 118.68 113.70 3hox s LEU 702 Ca 0.56 -0.29 -0.28 0.00 -1.03 0.00 0.00 54.13 53.09 3hox s LEU 702 Cb 0.45 -0.81 -0.01 0.00 0.03 0.00 0.00 46.19 45.85 3hox s LEU 702 CO 0.02 0.01 1.70 -0.89 0.23 0.00 0.00 176.35 177.41 3hox s THR 703 N 0.83 3.58 -0.29 5.49 2.01 -1.26 -4.92 115.64 121.09 3hox s THR 703 Ca -0.11 0.59 -0.28 0.00 0.31 0.00 0.00 61.69 62.20 3hox s THR 703 Cb -0.15 -3.80 -0.05 0.00 0.01 0.00 0.00 72.50 68.51 3hox s THR 703 CO 0.02 -0.52 2.25 0.00 -0.69 0.00 0.00 174.62 175.68 3hox s ALA 704 N 6.54 2.46 0.00 7.40 0.00 -1.26 -4.84 121.76 132.06 3hox s ALA 704 Ca 0.75 0.57 -0.37 0.00 0.00 0.00 0.00 51.96 52.90 3hox s ALA 704 Cb -0.20 -4.14 -0.16 0.00 0.00 0.00 0.00 23.12 18.62 3hox s ALA 704 CO 0.33 -3.21 1.47 1.63 0.00 0.00 0.00 175.76 175.98 3hox n LYS 705 N 8.82 1.26 -1.63 0.00 5.02 -1.26 -4.72 118.16 125.66 3hox n LYS 705 Ca 0.31 0.46 -0.60 0.00 -2.02 0.00 0.00 58.31 56.46 3hox n LYS 705 Cb 0.47 -2.13 -0.08 0.00 -0.02 0.00 0.00 35.03 33.28 3hox n LYS 705 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 3hox n HIS 706 N 3.38 1.40 0.00 2.13 -0.00 -1.26 -0.04 115.22 120.83 3hox n HIS 706 Ca 0.20 0.90 0.00 0.00 -0.00 0.00 0.00 57.72 58.83 3hox n HIS 706 Cb 0.19 -2.25 0.00 0.00 -0.00 0.00 0.00 29.99 27.93 3hox n HIS 706 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3hox n GLY 707 N 2.94 1.42 3.33 1.57 0.00 -1.26 -5.04 105.19 108.15 3hox n GLY 707 Ca 0.24 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 3hox n GLY 707 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hox s MET 708 N -0.56 1.25 1.01 1.61 1.00 0.94 -5.08 119.30 119.47 3hox s MET 708 Ca 0.00 -1.27 -0.17 0.00 0.00 0.00 0.00 55.69 54.25 3hox s MET 708 Cb 0.00 -1.58 0.25 0.00 0.00 0.00 0.00 34.83 33.50 3hox s MET 708 CO 0.00 0.37 0.78 2.41 0.00 0.00 0.00 175.02 178.58 3hox n THR 709 N 0.91 0.00 0.03 2.05 -1.04 -1.26 -4.14 114.28 110.82 3hox n THR 709 Ca -0.18 -0.25 -0.19 0.00 -2.04 0.00 0.00 64.05 61.39 3hox n THR 709 Cb 0.54 -1.04 -0.14 0.00 -1.82 0.00 0.00 70.33 67.87 3hox n THR 709 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3hox h LEU 710 N 0.00 0.40 -0.25 -4.42 4.07 -1.94 -0.78 115.31 112.39 3hox h LEU 710 Ca -0.31 -0.96 -0.01 0.00 0.08 0.00 0.00 57.88 56.68 3hox h LEU 710 Cb 0.98 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.58 3hox h LEU 710 CO 0.20 1.34 0.13 0.03 -1.08 0.00 0.00 178.44 179.06 3hox h ARG 711 N -0.46 0.35 0.35 1.13 3.08 -1.97 1.74 114.38 118.60 3hox h ARG 711 Ca -0.12 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 3hox h ARG 711 Cb 1.55 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.51 3hox h ARG 711 CO 0.13 0.32 -0.42 0.93 -1.07 0.00 0.00 179.97 179.86 3hox h GLU 712 N 0.29 -0.76 -0.06 0.04 5.08 -1.90 -0.27 114.58 116.99 3hox h GLU 712 Ca 0.09 0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 3hox h GLU 712 Cb 0.07 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 3hox h GLU 712 CO -0.01 -0.50 0.10 0.77 -1.00 0.00 0.00 179.01 178.36 3hox h SER 713 N -0.78 0.00 0.17 1.42 0.02 -0.87 -2.91 113.55 110.59 3hox h SER 713 Ca -0.04 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 3hox h SER 713 Cb 0.70 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.24 3hox h SER 713 CO -0.08 0.00 -0.08 0.15 -1.14 0.00 0.00 176.83 175.68 3hox h PHE 714 N 0.00 -0.21 -0.58 3.45 3.57 0.44 -2.96 116.94 120.65 3hox h PHE 714 Ca 0.03 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.62 3hox h PHE 714 Cb 0.22 0.07 -0.11 0.00 2.79 0.00 0.00 35.95 38.92 3hox h PHE 714 CO 0.00 -0.13 -0.40 0.93 -2.23 0.00 0.00 178.31 176.48 3hox h GLU 715 N -0.33 -0.20 -0.95 1.11 4.39 -1.29 -0.43 114.58 116.89 3hox h GLU 715 Ca -0.02 0.01 0.20 0.00 0.34 0.00 0.00 59.36 59.89 3hox h GLU 715 Cb 0.17 0.05 -0.18 0.00 -0.10 0.00 0.00 28.75 28.69 3hox h GLU 715 CO 0.04 -0.13 -0.20 -3.47 -1.16 0.00 0.00 179.01 174.09 3hox n ASP 716 N -5.42 -0.31 -0.02 1.42 -0.08 -1.10 0.29 116.55 111.33 3hox n ASP 716 Ca 0.03 1.63 -0.12 0.00 -1.51 0.00 0.00 54.79 54.81 3hox n ASP 716 Cb 0.35 -0.51 -0.07 0.00 2.34 0.00 0.00 41.12 43.23 3hox n ASP 716 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 3hox h ASN 717 N 0.00 0.14 0.00 1.67 2.35 -0.93 -2.78 115.58 116.04 3hox h ASN 717 Ca 0.47 -0.29 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 3hox h ASN 717 Cb 0.77 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.10 3hox h ASN 717 CO -0.96 0.40 0.00 0.52 -1.65 0.00 0.00 177.43 175.73 3hox n VAL 718 N -4.85 0.00 -0.25 2.81 0.31 0.15 -2.44 118.33 114.05 3hox n VAL 718 Ca -0.06 1.47 -0.07 0.00 -0.01 0.00 0.00 64.34 65.67 3hox n VAL 718 Cb 0.18 -2.16 -0.06 0.00 -0.91 0.00 0.00 33.84 30.89 3hox n VAL 718 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3hox h VAL 719 N 0.00 0.00 -1.50 2.52 2.07 -1.03 0.75 116.25 119.05 3hox h VAL 719 Ca 0.00 0.00 0.44 0.00 0.82 0.00 0.00 66.70 67.96 3hox h VAL 719 Cb 0.00 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.71 3hox h VAL 719 CO 0.00 0.00 1.23 -0.09 0.02 0.00 0.00 177.57 178.73 3hox h ARG 720 N -0.01 0.00 0.21 1.57 2.43 -1.39 0.18 114.38 117.38 3hox h ARG 720 Ca 0.10 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 3hox h ARG 720 Cb 0.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3hox h ARG 720 CO -0.57 0.00 -0.10 0.74 -1.51 0.00 0.00 179.97 178.53 3hox h PHE 721 N 0.00 -0.26 0.00 2.20 0.05 0.84 -2.58 116.94 117.19 3hox h PHE 721 Ca 0.71 -0.01 0.00 0.00 3.82 0.00 0.00 57.97 62.50 3hox h PHE 721 Cb 3.17 0.09 0.00 0.00 2.00 0.00 0.00 35.95 41.21 3hox h PHE 721 CO 0.00 -0.04 0.00 1.28 -0.18 0.00 0.00 178.31 179.37 3hox n LEU 722 N -4.96 0.00 -0.41 1.54 4.32 0.59 -0.24 117.00 117.85 3hox n LEU 722 Ca -0.05 0.77 -0.08 0.00 -0.02 0.00 0.00 56.01 56.63 3hox n LEU 722 Cb 0.17 -0.27 -0.06 0.00 -1.62 0.00 0.00 43.42 41.65 3hox n LEU 722 CO 0.14 -0.27 0.51 0.59 -1.22 0.00 0.00 177.39 177.14 3hox n ASN 723 N -1.72 -0.92 -0.35 -1.43 3.02 -0.91 0.14 115.26 113.08 3hox n ASN 723 Ca 0.00 1.75 0.03 0.00 -0.03 0.00 0.00 54.58 56.34 3hox n ASN 723 Cb 0.00 -0.28 0.10 0.00 -0.61 0.00 0.00 39.78 38.98 3hox n ASN 723 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3hox n GLU 724 N -5.31 -0.14 0.19 3.52 2.13 -0.97 0.76 120.64 120.82 3hox n GLU 724 Ca 0.05 1.49 -0.15 0.00 0.66 0.00 0.00 57.16 59.20 3hox n GLU 724 Cb 0.30 -2.21 -0.08 0.00 0.27 0.00 0.00 31.44 29.72 3hox n GLU 724 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3hox h ALA 725 N 1.68 -0.44 -0.75 4.31 0.00 0.44 -2.71 119.26 121.79 3hox h ALA 725 Ca 0.41 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 55.32 3hox h ALA 725 Cb 0.65 0.17 -0.13 0.00 0.00 0.00 0.00 17.79 18.48 3hox h ALA 725 CO -0.97 -0.71 -0.37 -0.09 0.00 0.00 0.00 179.25 177.11 3hox h ARG 726 N -0.53 -0.10 -0.74 0.00 2.43 0.55 0.45 114.38 116.44 3hox h ARG 726 Ca -0.05 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.17 3hox h ARG 726 Cb 0.39 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.92 3hox h ARG 726 CO 0.07 -0.07 0.46 -0.44 -1.51 0.00 0.00 179.97 178.49 3hox h ASP 727 N -0.11 0.76 0.30 -3.80 5.19 -0.52 0.48 116.42 118.73 3hox h ASP 727 Ca 0.27 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.67 3hox h ASP 727 Cb 0.57 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.92 3hox h ASP 727 CO -0.80 0.52 -0.15 0.50 -3.12 0.00 0.00 179.24 176.19 3hox h LYS 728 N 0.90 -0.39 -0.90 3.56 3.64 -0.52 0.37 116.57 123.22 3hox h LYS 728 Ca 0.30 0.03 0.23 0.00 -1.27 0.00 0.00 60.65 59.94 3hox h LYS 728 Cb 0.05 0.09 -0.13 0.00 -0.41 0.00 0.00 32.23 31.83 3hox h LYS 728 CO -0.12 -0.19 0.37 0.00 -2.27 0.00 0.00 179.45 177.24 3hox h ALA 729 N 0.15 1.44 -3.00 5.00 0.00 0.19 0.02 119.26 123.05 3hox h ALA 729 Ca -0.04 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3hox h ALA 729 Cb 0.39 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3hox h ALA 729 CO 0.07 -0.39 0.00 0.41 0.00 0.00 0.00 179.25 179.34 3hox n GLY 730 N -1.34 -2.18 0.03 0.00 0.00 0.12 -3.32 105.19 98.50 3hox n GLY 730 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3hox n GLY 730 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hox n ARG 731 N -0.22 -0.01 -0.20 1.61 1.74 0.12 0.17 116.66 119.87 3hox n ARG 731 Ca 0.00 0.12 -0.12 0.00 -0.77 0.00 0.00 57.85 57.08 3hox n ARG 731 Cb 0.00 -0.17 -0.09 0.00 -1.02 0.00 0.00 32.46 31.18 3hox n ARG 731 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3hox h LEU 732 N 0.00 -1.80 -0.89 0.55 3.38 -1.03 -0.07 115.31 115.44 3hox h LEU 732 Ca 0.04 0.25 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 3hox h LEU 732 Cb 0.06 0.76 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 3hox h LEU 732 CO -0.08 -0.32 0.55 0.00 0.09 0.00 0.00 178.44 178.67 3hox h ALA 733 N 0.01 1.13 -0.54 1.53 0.00 0.18 -1.61 119.26 119.95 3hox h ALA 733 Ca 0.09 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.02 3hox h ALA 733 Cb 0.50 -0.36 -0.11 0.00 0.00 0.00 0.00 17.79 17.82 3hox h ALA 733 CO -0.64 0.59 -0.17 1.49 0.00 0.00 0.00 179.25 180.51 3hox h GLU 734 N 1.22 -0.04 0.00 0.00 4.81 -0.67 0.70 114.58 120.60 3hox h GLU 734 Ca 0.32 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 3hox h GLU 734 Cb -0.06 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.33 3hox h GLU 734 CO -0.06 -0.03 -0.12 0.28 -0.73 0.00 0.00 179.01 178.35 3hox h VAL 735 N -0.04 0.00 0.00 0.32 2.07 -1.19 -3.14 116.25 114.26 3hox h VAL 735 Ca 0.26 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 3hox h VAL 735 Cb 0.44 1.81 -0.00 0.00 -1.52 0.00 0.00 31.29 32.02 3hox h VAL 735 CO -0.58 0.00 -0.01 -1.13 0.02 0.00 0.00 177.57 175.87 3hox h ASN 736 N 0.00 0.00 -3.24 0.57 -0.73 0.08 -3.43 115.58 108.84 3hox h ASN 736 Ca 0.00 0.00 -0.59 0.00 1.87 0.00 0.00 56.30 57.58 3hox h ASN 736 Cb 0.94 0.00 -0.08 0.00 0.27 0.00 0.00 38.32 39.45 3hox h ASN 736 CO 0.00 0.01 0.54 -0.76 -0.37 0.00 0.00 177.43 176.85 3hox s LEU 737 N -6.20 4.10 0.86 0.34 1.43 -0.25 -4.83 118.68 114.13 3hox s LEU 737 Ca 0.04 1.15 -0.12 0.00 -1.03 0.00 0.00 54.13 54.17 3hox s LEU 737 Cb 0.07 -3.28 0.11 0.00 0.03 0.00 0.00 46.19 43.12 3hox s LEU 737 CO 0.60 -0.54 1.10 -1.59 0.23 0.00 0.00 176.35 176.16 3hox s LYS 738 N 2.82 1.52 0.47 1.70 -2.85 -1.26 -4.92 119.74 117.22 3hox s LYS 738 Ca 0.38 0.68 0.21 0.00 -1.00 0.00 0.00 55.97 56.24 3hox s LYS 738 Cb -0.15 -1.85 1.22 0.00 -2.06 0.00 0.00 37.83 34.98 3hox s LYS 738 CO 0.08 -2.02 1.92 -0.44 0.10 0.00 0.00 175.35 174.99 3hox h ASP 739 N -1.38 0.23 0.98 0.03 5.19 -1.97 -1.05 116.42 118.45 3hox h ASP 739 Ca -0.49 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 3hox h ASP 739 Cb 1.28 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.77 3hox h ASP 739 CO 0.57 0.11 0.00 0.17 -3.12 0.00 0.00 179.24 176.97 3hox h LEU 740 N 0.24 0.00 -9.44 1.55 8.10 -2.02 -3.41 115.31 110.33 3hox h LEU 740 Ca 0.37 0.00 -0.54 0.00 0.11 0.00 0.00 57.88 57.82 3hox h LEU 740 Cb 1.10 0.00 0.03 0.00 -0.44 0.00 0.00 40.66 41.36 3hox h LEU 740 CO -0.08 0.00 1.13 -3.20 -4.11 0.00 0.00 178.44 172.18 3hox n ASN 741 N -2.77 3.97 0.45 0.17 5.15 -0.40 -4.90 115.26 116.93 3hox n ASN 741 Ca 0.01 0.97 -0.19 0.00 -0.60 0.00 0.00 54.58 54.77 3hox n ASN 741 Cb 0.29 -1.52 -0.09 0.00 -0.53 0.00 0.00 39.78 37.93 3hox n ASN 741 CO 0.00 0.00 0.00 0.78 1.40 0.00 0.00 177.26 179.44 3hox h ASN 742 N 9.06 -0.96 -0.96 1.20 2.35 -1.86 -0.78 115.58 123.62 3hox h ASN 742 Ca -0.48 0.03 0.30 0.00 -0.55 0.00 0.00 56.30 55.60 3hox h ASN 742 Cb 1.23 0.25 -0.15 0.00 0.05 0.00 0.00 38.32 39.70 3hox h ASN 742 CO 0.94 -0.67 0.42 0.58 -1.65 0.00 0.00 177.43 177.06 3hox h VAL 743 N -1.17 0.26 -0.07 2.81 2.07 -1.87 0.15 116.25 118.44 3hox h VAL 743 Ca -0.12 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 3hox h VAL 743 Cb 0.87 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3hox h VAL 743 CO 0.19 0.04 -0.04 0.50 0.02 0.00 0.00 177.57 178.28 3hox h LYS 744 N 0.24 0.14 -0.63 1.57 3.64 -1.84 -2.41 116.57 117.28 3hox h LYS 744 Ca 0.67 -0.07 0.13 0.00 -1.27 0.00 0.00 60.65 60.12 3hox h LYS 744 Cb 1.51 -0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 33.21 3hox h LYS 744 CO -0.66 0.54 -0.07 1.96 -2.27 0.00 0.00 179.45 178.95 3hox h GLN 745 N -0.25 0.06 -0.87 1.90 4.20 0.73 0.47 115.11 121.35 3hox h GLN 745 Ca 0.01 -0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.75 3hox h GLN 745 Cb 0.50 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.21 3hox h GLN 745 CO 0.01 0.04 0.56 0.52 -0.67 0.00 0.00 178.83 179.29 3hox h MET 746 N 0.06 1.06 -0.51 1.46 2.86 -0.98 -0.61 114.93 118.27 3hox h MET 746 Ca 0.32 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 57.80 3hox h MET 746 Cb 0.52 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 3hox h MET 746 CO -0.59 0.70 -0.10 0.28 1.06 0.00 0.00 176.91 178.26 3hox h VAL 747 N 1.09 1.26 0.40 -2.22 2.07 -0.15 -1.55 116.25 117.15 3hox h VAL 747 Ca 0.35 -1.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.63 3hox h VAL 747 Cb 0.01 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3hox h VAL 747 CO -0.12 0.43 -0.23 0.24 0.02 0.00 0.00 177.57 177.91 3hox h MET 748 N 0.84 -0.57 -0.94 1.57 2.07 0.69 -2.76 114.93 115.83 3hox h MET 748 Ca 0.14 0.04 0.05 0.00 -2.07 0.00 0.00 59.70 57.86 3hox h MET 748 Cb 0.63 0.13 -0.06 0.00 -1.87 0.00 0.00 31.60 30.43 3hox h MET 748 CO 0.04 -0.38 0.60 0.00 1.07 0.00 0.00 176.91 178.25 3hox h ALA 749 N -0.01 1.28 0.00 6.32 0.00 -1.10 -3.47 119.26 122.28 3hox h ALA 749 Ca -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3hox h ALA 749 Cb 0.47 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3hox h ALA 749 CO 0.06 0.41 0.00 0.41 0.00 0.00 0.00 179.25 180.14 3hox n GLY 750 N -1.35 1.74 0.28 0.00 0.00 -0.63 -2.51 105.19 102.72 3hox n GLY 750 Ca 0.13 -0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.15 3hox n GLY 750 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hox n SER 751 N 0.24 1.52 0.00 1.61 3.41 -0.93 -4.88 113.62 114.59 3hox n SER 751 Ca 0.00 -1.23 0.00 0.00 -0.26 0.00 0.00 58.87 57.38 3hox n SER 751 Cb 0.06 0.63 0.00 0.00 -0.26 0.00 0.00 64.21 64.64 3hox n SER 751 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hox n LYS 752 N -0.67 0.00 -1.13 4.33 4.76 -1.24 -4.66 118.16 119.55 3hox n LYS 752 Ca 0.07 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.63 3hox n LYS 752 Cb 0.40 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.53 3hox n LYS 752 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hox n GLY 753 N -0.31 -2.16 1.33 0.72 0.00 -1.26 -3.62 105.19 99.89 3hox n GLY 753 Ca 0.00 -0.66 -0.06 0.00 0.00 0.00 0.00 46.02 45.30 3hox n GLY 753 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hox n SER 754 N -3.93 -0.51 0.00 1.61 3.41 -1.26 -4.54 113.62 108.41 3hox n SER 754 Ca -0.06 -1.77 0.00 0.00 -0.26 0.00 0.00 58.87 56.78 3hox n SER 754 Cb 0.46 0.96 0.00 0.00 -0.26 0.00 0.00 64.21 65.38 3hox n SER 754 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3hox n PHE 755 N -0.23 0.00 0.15 7.33 7.35 -1.26 -0.37 117.46 130.43 3hox n PHE 755 Ca 0.01 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.82 3hox n PHE 755 Cb 0.23 -0.03 0.34 0.00 0.35 0.00 0.00 39.48 40.38 3hox n PHE 755 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 3hox h ILE 756 N 0.00 0.04 0.53 -2.13 1.08 -1.98 0.72 117.51 115.77 3hox h ILE 756 Ca 0.00 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.44 3hox h ILE 756 Cb 0.00 0.19 0.01 0.00 -3.07 0.00 0.00 36.82 33.94 3hox h ILE 756 CO 0.00 0.00 -0.26 0.78 -0.69 0.00 0.00 178.15 177.98 3hox h ASN 757 N 0.00 -0.60 -0.57 1.72 2.35 -1.11 -1.82 115.58 115.55 3hox h ASN 757 Ca 0.16 -0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.98 3hox h ASN 757 Cb 1.93 0.16 -0.06 0.00 0.05 0.00 0.00 38.32 40.39 3hox h ASN 757 CO -0.00 -0.20 0.24 0.40 -1.65 0.00 0.00 177.43 176.22 3hox h ILE 758 N -1.16 0.84 -0.47 2.81 2.04 -0.79 -1.81 117.51 118.96 3hox h ILE 758 Ca -0.07 -0.15 0.06 0.00 1.00 0.00 0.00 64.86 65.69 3hox h ILE 758 Cb 0.57 0.36 -0.09 0.00 -0.74 0.00 0.00 36.82 36.92 3hox h ILE 758 CO 0.12 0.08 -0.55 0.00 0.00 0.00 0.00 178.15 177.80 3hox h ALA 759 N 1.36 -0.72 0.00 1.87 0.00 -1.30 0.24 119.26 120.71 3hox h ALA 759 Ca 0.27 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3hox h ALA 759 Cb 0.28 1.13 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3hox h ALA 759 CO -0.25 -1.03 0.00 1.96 0.00 0.00 0.00 179.25 179.93 3hox h GLN 760 N -0.35 0.00 0.00 0.00 4.20 -0.95 0.33 115.11 118.34 3hox h GLN 760 Ca 0.09 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.77 3hox h GLN 760 Cb 0.58 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 3hox h GLN 760 CO -0.63 0.00 -0.24 0.52 -0.67 0.00 0.00 178.83 177.81 3hox h MET 761 N 0.00 0.00 0.04 1.46 2.86 -0.45 0.49 114.93 119.33 3hox h MET 761 Ca 0.00 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.39 3hox h MET 761 Cb 0.61 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.24 3hox h MET 761 CO 0.00 0.62 -1.36 0.77 1.06 0.00 0.00 176.91 178.00 3hox h SER 762 N -1.00 0.13 0.00 1.22 0.02 -0.61 -1.54 113.55 111.77 3hox h SER 762 Ca -0.05 -0.67 0.00 0.00 -0.84 0.00 0.00 61.79 60.23 3hox h SER 762 Cb 0.72 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.21 3hox h SER 762 CO -0.03 1.56 0.00 0.00 -1.14 0.00 0.00 176.83 177.21 3hox n ALA 763 N -3.24 0.00 -3.74 3.77 0.00 0.11 -4.71 120.51 112.70 3hox n ALA 763 Ca -0.30 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.01 3hox n ALA 763 Cb 0.77 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 20.08 3hox n ALA 763 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hox h VAL 765 N 5.99 0.03 0.00 0.00 2.07 -1.50 -3.37 116.25 119.48 3hox h VAL 765 Ca -0.42 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.10 3hox h VAL 765 Cb 1.15 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3hox h VAL 765 CO 0.40 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.60 3hox n GLY 766 N -1.52 1.52 3.65 2.17 0.00 -0.73 -4.78 105.19 105.50 3hox n GLY 766 Ca -0.10 -2.19 -0.43 0.00 0.00 0.00 0.00 46.02 43.31 3hox n GLY 766 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hox s GLN 767 N -1.34 4.09 0.40 1.61 2.00 -1.26 -0.43 119.66 124.73 3hox s GLN 767 Ca 0.00 1.59 -0.23 0.00 -2.00 0.00 0.00 55.36 54.72 3hox s GLN 767 Cb 0.00 -3.85 -0.10 0.00 0.80 0.00 0.00 33.01 29.86 3hox s GLN 767 CO 0.00 -0.91 0.98 -0.65 -0.50 0.00 0.00 175.29 174.22 3hox s GLN 768 N 3.88 4.25 0.09 1.67 1.11 0.38 -4.92 119.66 126.11 3hox s GLN 768 Ca 0.59 1.30 -0.08 0.00 0.01 0.00 0.00 55.36 57.18 3hox s GLN 768 Cb -0.22 -2.42 -0.01 0.00 -1.01 0.00 0.00 33.01 29.36 3hox s GLN 768 CO 0.20 -0.03 0.17 0.45 0.01 0.00 0.00 175.29 176.09 3hox s SER 769 N -1.85 0.15 -0.05 5.90 0.15 -1.26 -4.15 113.70 112.59 3hox s SER 769 Ca 0.59 -0.68 -0.02 0.00 0.70 0.00 0.00 55.95 56.53 3hox s SER 769 Cb -0.16 0.33 0.04 0.00 -1.71 0.00 0.00 66.02 64.52 3hox s SER 769 CO 0.20 -0.72 0.10 -0.69 1.20 0.00 0.00 173.24 173.33 3hox s VAL 770 N -3.87 -0.14 -1.83 4.45 1.01 -0.78 -4.61 120.40 114.63 3hox s VAL 770 Ca 0.05 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.37 3hox s VAL 770 Cb 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 36.38 36.24 3hox s VAL 770 CO -0.11 0.14 0.00 -0.62 0.00 0.00 0.00 175.10 174.51 3hox n GLU 771 N 4.95 -1.65 0.00 2.72 1.02 -1.26 -2.71 120.64 123.71 3hox n GLU 771 Ca -0.11 1.03 0.00 0.00 -0.02 0.00 0.00 57.16 58.06 3hox n GLU 771 Cb 0.50 -5.60 0.00 0.00 -0.02 0.00 0.00 31.44 26.32 3hox n GLU 771 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hox n GLY 772 N -0.81 2.50 3.75 0.62 0.00 -1.26 -4.99 105.19 105.00 3hox n GLY 772 Ca -0.23 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 3hox n GLY 772 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hox s LYS 773 N 0.00 4.23 1.28 1.61 3.01 -1.10 -4.96 119.74 123.81 3hox s LYS 773 Ca 0.00 2.37 -0.18 0.00 -1.01 0.00 0.00 55.97 57.15 3hox s LYS 773 Cb 0.00 -3.08 0.32 0.00 -1.01 0.00 0.00 37.83 34.06 3hox s LYS 773 CO 0.00 -0.46 1.00 -0.98 0.51 0.00 0.00 175.35 175.42 3hox s ARG 774 N -0.56 -1.85 0.38 1.68 1.70 -1.26 -1.87 118.95 117.16 3hox s ARG 774 Ca 0.59 0.34 -0.22 0.00 -0.47 0.00 0.00 55.73 55.97 3hox s ARG 774 Cb -0.43 -1.49 -0.15 0.00 -0.57 0.00 0.00 34.95 32.31 3hox s ARG 774 CO 0.46 -4.22 0.21 -0.89 -1.08 0.00 0.00 175.30 169.78 3hox n ILE 775 N -5.19 1.00 -4.33 4.99 2.08 -0.48 -4.65 119.36 112.78 3hox n ILE 775 Ca 0.09 -0.50 -0.29 0.00 0.56 0.00 0.00 62.75 62.61 3hox n ILE 775 Cb 0.58 -0.08 -0.05 0.00 -0.75 0.00 0.00 39.64 39.34 3hox n ILE 775 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3hox s ALA 776 N -1.55 4.10 -1.40 -1.39 0.00 -1.26 -4.78 121.76 115.47 3hox s ALA 776 Ca 0.60 -1.08 -0.10 0.00 0.00 0.00 0.00 51.96 51.38 3hox s ALA 776 Cb -0.67 -0.31 0.08 0.00 0.00 0.00 0.00 23.12 22.22 3hox s ALA 776 CO 0.61 -0.20 2.22 1.19 0.00 0.00 0.00 175.76 179.58 3hox n PHE 777 N -1.43 3.01 0.26 0.00 0.99 -1.26 -4.39 117.46 114.65 3hox n PHE 777 Ca -0.09 -2.90 0.14 0.00 -0.00 0.00 0.00 57.45 54.60 3hox n PHE 777 Cb 0.66 -2.21 0.65 0.00 -1.00 0.00 0.00 39.48 37.58 3hox n PHE 777 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 3hox h GLY 778 N 8.12 0.00 -7.65 1.37 0.00 -1.80 -3.33 103.07 99.78 3hox h GLY 778 Ca 0.57 0.00 -0.76 0.00 0.00 0.00 0.00 47.33 47.13 3hox h GLY 778 CO 1.72 0.00 -0.07 -1.36 0.00 0.00 0.00 176.54 176.83 3hox s PHE 779 N -3.78 3.61 0.00 5.60 2.99 -1.01 -4.94 117.98 120.44 3hox s PHE 779 Ca -0.00 -2.05 0.00 0.00 0.00 0.00 0.00 56.93 54.88 3hox s PHE 779 Cb 0.10 -3.67 0.00 0.00 0.00 0.00 0.00 43.02 39.45 3hox s PHE 779 CO 0.57 -0.96 0.00 0.28 -0.00 0.00 0.00 175.22 175.11 3hox n VAL 780 N 4.09 0.00 -2.21 -0.44 0.31 -1.25 0.31 118.33 119.14 3hox n VAL 780 Ca 0.08 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.22 3hox n VAL 780 Cb 0.44 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.35 3hox n VAL 780 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3hox n ASP 781 N 0.14 -5.47 -3.74 4.52 8.00 -1.26 -4.85 116.55 113.90 3hox n ASP 781 Ca 0.00 0.08 -0.03 0.00 0.71 0.00 0.00 54.79 55.55 3hox n ASP 781 Cb 0.00 -4.54 -0.01 0.00 -0.02 0.00 0.00 41.12 36.55 3hox n ASP 781 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hox s ARG 782 N -4.69 1.15 -0.13 -1.24 1.70 0.15 0.20 118.95 116.09 3hox s ARG 782 Ca 0.00 -0.64 -0.11 0.00 -0.47 0.00 0.00 55.73 54.51 3hox s ARG 782 Cb 0.00 0.39 -0.08 0.00 -0.57 0.00 0.00 34.95 34.68 3hox s ARG 782 CO 0.00 -0.53 0.15 1.15 -1.08 0.00 0.00 175.30 175.00 3hox h THR 783 N 2.00 0.49 -3.08 4.99 2.02 -1.78 -2.66 112.91 114.90 3hox h THR 783 Ca -0.25 -1.42 -0.46 0.00 0.77 0.00 0.00 66.41 65.05 3hox h THR 783 Cb 1.23 0.99 -0.14 0.00 -1.74 0.00 0.00 68.15 68.49 3hox h THR 783 CO 0.26 0.17 -0.58 -0.76 0.37 0.00 0.00 175.52 174.97 3hox s LEU 784 N -8.33 1.97 -0.05 2.58 1.43 -1.26 -4.39 118.68 110.62 3hox s LEU 784 Ca -0.11 -1.46 0.02 0.00 -1.03 0.00 0.00 54.13 51.55 3hox s LEU 784 Cb 0.00 -0.18 0.12 0.00 0.03 0.00 0.00 46.19 46.16 3hox s LEU 784 CO 0.26 -0.73 0.86 -0.81 0.23 0.00 0.00 176.35 176.16 3hox n PRO 785 N -0.68 1.47 -0.47 1.29 -0.04 -1.26 -2.96 135.00 132.35 3hox n PRO 785 Ca -0.02 -0.50 0.06 0.00 -0.04 0.00 0.00 63.50 63.00 3hox n PRO 785 Cb 0.66 -1.47 0.22 0.00 -0.04 0.00 0.00 33.50 32.88 3hox n PRO 785 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3hox n HIS 786 N 0.15 0.79 -3.95 0.54 8.25 -1.26 -4.97 115.22 114.77 3hox n HIS 786 Ca 0.06 -1.09 -0.10 0.00 -0.26 0.00 0.00 57.72 56.33 3hox n HIS 786 Cb 0.51 -0.33 -0.12 0.00 1.12 0.00 0.00 29.99 31.17 3hox n HIS 786 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3hox s PHE 787 N -2.95 0.20 0.23 4.41 2.99 -1.16 -5.12 117.98 116.57 3hox s PHE 787 Ca 0.41 -0.38 -0.22 0.00 0.00 0.00 0.00 56.93 56.74 3hox s PHE 787 Cb 0.35 -0.14 -0.09 0.00 0.00 0.00 0.00 43.02 43.14 3hox s PHE 787 CO 0.05 -0.13 0.78 -1.12 -0.00 0.00 0.00 175.22 174.80 3hox s SER 788 N -1.04 7.18 1.08 1.36 0.01 -1.26 -4.93 113.70 116.09 3hox s SER 788 Ca -0.11 1.55 -0.20 0.00 1.31 0.00 0.00 55.95 58.50 3hox s SER 788 Cb -0.07 -2.47 0.03 0.00 0.21 0.00 0.00 66.02 63.72 3hox s SER 788 CO -0.01 0.04 -0.28 0.29 0.41 0.00 0.00 173.24 173.69 3hox n LYS 789 N 0.85 -1.10 -2.80 12.44 5.02 -1.26 -3.47 118.16 127.84 3hox n LYS 789 Ca -0.02 -0.31 -0.08 0.00 -2.02 0.00 0.00 58.31 55.88 3hox n LYS 789 Cb 0.50 -1.56 -0.01 0.00 -0.02 0.00 0.00 35.03 33.95 3hox n LYS 789 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3hox n ASP 790 N -0.46 -1.66 -4.73 4.39 9.92 0.13 -4.93 116.55 119.21 3hox n ASP 790 Ca 0.01 0.18 -0.39 0.00 -0.53 0.00 0.00 54.79 54.06 3hox n ASP 790 Cb 0.64 -1.51 -0.05 0.00 -0.64 0.00 0.00 41.12 39.55 3hox n ASP 790 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3hox s ASP 791 N -2.21 6.99 0.00 -2.24 -1.08 -1.23 -4.94 116.67 111.97 3hox s ASP 791 Ca 0.13 1.18 0.02 0.00 -0.52 0.00 0.00 52.55 53.36 3hox s ASP 791 Cb -0.07 -2.39 -0.01 0.00 -1.46 0.00 0.00 42.92 38.98 3hox s ASP 791 CO 0.16 -0.02 0.16 -1.22 0.52 0.00 0.00 175.17 174.77 3hox n TYR 792 N 3.33 0.00 -1.32 -5.34 4.02 -1.26 -4.91 117.16 111.67 3hox n TYR 792 Ca -0.04 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.47 3hox n TYR 792 Cb 0.51 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.86 3hox n TYR 792 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3hox n SER 793 N -0.82 -2.56 -0.25 7.72 3.41 -1.26 -4.58 113.62 115.28 3hox n SER 793 Ca 0.00 0.66 0.04 0.00 -0.26 0.00 0.00 58.87 59.31 3hox n SER 793 Cb 0.03 -1.00 0.16 0.00 -0.26 0.00 0.00 64.21 63.14 3hox n SER 793 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3hox h PRO 794 N 0.01 0.50 0.00 4.33 0.13 -1.97 -1.20 132.00 133.79 3hox h PRO 794 Ca -0.43 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3hox h PRO 794 Cb 1.42 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.43 3hox h PRO 794 CO 0.43 0.33 0.00 0.39 -0.23 0.00 0.00 178.00 178.92 3hox n GLU 795 N -4.94 0.00 0.00 0.86 4.71 -1.26 -1.67 120.64 118.33 3hox n GLU 795 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.28 3hox n GLU 795 Cb 0.35 -0.99 0.00 0.00 -1.01 0.00 0.00 31.44 29.79 3hox n GLU 795 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 3hox n SER 796 N 0.28 0.00 -1.07 1.62 2.88 -0.47 -4.82 113.62 112.04 3hox n SER 796 Ca 0.00 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.64 3hox n SER 796 Cb 0.00 0.00 0.26 0.00 -0.75 0.00 0.00 64.21 63.72 3hox n SER 796 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3hox n LYS 797 N -0.09 2.35 -0.24 -1.46 4.76 -0.67 -4.72 118.16 118.09 3hox n LYS 797 Ca 0.00 -2.09 0.00 0.00 -2.87 0.00 0.00 58.31 53.35 3hox n LYS 797 Cb 0.00 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 31.73 3hox n LYS 797 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hox n GLY 798 N 1.43 0.86 3.50 0.72 0.00 -1.16 -1.38 105.19 109.17 3hox n GLY 798 Ca 0.20 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 3hox n GLY 798 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hox s PHE 799 N -1.86 3.21 -0.67 1.61 5.36 -1.10 0.14 117.98 124.67 3hox s PHE 799 Ca 0.00 -0.31 -0.24 0.00 -0.96 0.00 0.00 56.93 55.42 3hox s PHE 799 Cb 0.00 -2.43 0.05 0.00 -0.34 0.00 0.00 43.02 40.31 3hox s PHE 799 CO 0.00 -0.38 1.07 0.08 -1.46 0.00 0.00 175.22 174.53 3hox s VAL 800 N 1.69 4.13 0.18 3.12 1.01 0.43 -4.74 120.40 126.22 3hox s VAL 800 Ca 0.06 -0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.07 3hox s VAL 800 Cb -0.17 -4.75 -0.13 0.00 0.00 0.00 0.00 36.38 31.33 3hox s VAL 800 CO 0.09 -1.55 1.42 -0.08 0.00 0.00 0.00 175.10 174.98 3hox h GLU 801 N 9.69 0.13 -7.12 2.72 4.81 -1.96 -1.95 114.58 120.90 3hox h GLU 801 Ca -0.28 -0.14 -0.48 0.00 -0.13 0.00 0.00 59.36 58.33 3hox h GLU 801 Cb 1.06 0.04 0.05 0.00 0.63 0.00 0.00 28.75 30.53 3hox h GLU 801 CO 1.21 0.88 0.39 -0.80 -0.73 0.00 0.00 179.01 179.95 3hox s ASN 802 N -6.88 6.06 0.63 1.04 0.01 -1.26 -4.58 114.94 109.97 3hox s ASN 802 Ca -0.02 1.91 -0.00 0.00 -0.71 0.00 0.00 52.86 54.04 3hox s ASN 802 Cb 0.11 -2.55 0.10 0.00 0.41 0.00 0.00 41.25 39.32 3hox s ASN 802 CO 0.81 -0.97 0.70 -1.54 -1.51 0.00 0.00 177.10 174.59 3hox n SER 803 N -1.40 0.95 0.14 -1.22 3.41 -1.24 -2.33 113.62 111.93 3hox n SER 803 Ca 0.09 -1.80 0.03 0.00 -0.26 0.00 0.00 58.87 56.93 3hox n SER 803 Cb 0.52 -0.46 0.04 0.00 -0.26 0.00 0.00 64.21 64.06 3hox n SER 803 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 3hox h TYR 804 N -0.54 0.00 0.26 7.33 0.99 -0.59 -1.98 116.97 122.44 3hox h TYR 804 Ca -0.23 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.48 3hox h TYR 804 Cb 0.86 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.59 3hox h TYR 804 CO 0.00 0.50 -0.13 1.25 -0.00 0.00 0.00 178.16 179.79 3hox h LEU 805 N 0.00 -0.30 0.04 3.88 7.12 -1.54 -3.32 115.31 121.19 3hox h LEU 805 Ca -0.01 -0.16 -0.00 0.00 0.13 0.00 0.00 57.88 57.84 3hox h LEU 805 Cb 1.36 0.08 -0.00 0.00 -0.53 0.00 0.00 40.66 41.57 3hox h LEU 805 CO 0.07 0.00 -0.04 0.03 -0.13 0.00 0.00 178.44 178.37 3hox h ARG 806 N -0.62 -0.07 0.00 1.25 3.08 -1.82 -3.49 114.38 112.70 3hox h ARG 806 Ca -0.04 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3hox h ARG 806 Cb 0.44 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.51 3hox h ARG 806 CO 0.06 -0.05 0.00 0.41 -1.07 0.00 0.00 179.97 179.32 3hox n GLY 807 N -1.04 3.58 3.68 0.04 0.00 -0.75 -4.99 105.19 105.71 3hox n GLY 807 Ca -0.01 -1.11 -0.31 0.00 0.00 0.00 0.00 46.02 44.58 3hox n GLY 807 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hox s LEU 808 N 0.00 2.90 0.31 0.99 1.02 -1.26 -4.89 118.68 117.75 3hox s LEU 808 Ca 0.00 2.24 0.05 0.00 0.02 0.00 0.00 54.13 56.44 3hox s LEU 808 Cb 0.00 -4.57 -0.02 0.00 0.02 0.00 0.00 46.19 41.62 3hox s LEU 808 CO 0.00 -3.05 0.45 0.42 0.02 0.00 0.00 176.35 174.19 3hox s THR 809 N -2.55 4.65 0.19 5.49 -4.23 -1.26 -4.79 115.64 113.15 3hox s THR 809 Ca 0.68 -0.90 -0.24 0.00 -1.18 0.00 0.00 61.69 60.05 3hox s THR 809 Cb -0.24 -3.64 0.09 0.00 1.34 0.00 0.00 72.50 70.05 3hox s THR 809 CO 0.57 -0.28 1.56 -0.65 -0.54 0.00 0.00 174.62 175.27 3hox h PRO 810 N 0.95 -0.09 0.48 3.99 0.11 -1.98 1.37 132.00 136.84 3hox h PRO 810 Ca -0.49 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3hox h PRO 810 Cb 1.24 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 3hox h PRO 810 CO 0.57 -0.06 -0.36 1.96 -0.21 0.00 0.00 178.00 179.91 3hox h GLN 811 N -0.09 -0.79 -0.94 1.05 7.50 -1.99 0.28 115.11 120.12 3hox h GLN 811 Ca 0.24 0.05 0.25 0.00 0.50 0.00 0.00 58.65 59.69 3hox h GLN 811 Cb 0.54 0.18 -0.13 0.00 0.05 0.00 0.00 27.48 28.12 3hox h GLN 811 CO -0.86 -0.53 0.46 0.93 -1.50 0.00 0.00 178.83 177.34 3hox h GLU 812 N -0.82 0.39 0.35 1.46 5.08 -1.30 0.36 114.58 120.10 3hox h GLU 812 Ca -0.05 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 3hox h GLU 812 Cb 0.70 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3hox h GLU 812 CO 0.01 0.26 -0.17 0.35 -1.00 0.00 0.00 179.01 178.46 3hox h PHE 813 N 0.40 -0.43 -0.75 4.33 3.57 0.29 -2.28 116.94 122.07 3hox h PHE 813 Ca 0.62 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 62.27 3hox h PHE 813 Cb 1.25 0.14 -0.11 0.00 2.79 0.00 0.00 35.95 40.02 3hox h PHE 813 CO -0.09 -0.27 0.22 0.35 -2.23 0.00 0.00 178.31 176.28 3hox h PHE 814 N -0.57 0.34 0.02 0.41 3.57 0.22 -0.75 116.94 120.18 3hox h PHE 814 Ca -0.05 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3hox h PHE 814 Cb 0.36 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 3hox h PHE 814 CO 0.10 -0.06 -0.04 0.74 -2.23 0.00 0.00 178.31 176.82 3hox h PHE 815 N 0.31 -0.10 -0.87 0.41 0.05 -1.01 -1.07 116.94 114.65 3hox h PHE 815 Ca 0.43 0.00 0.20 0.00 3.82 0.00 0.00 57.97 62.42 3hox h PHE 815 Cb 0.73 0.04 -0.12 0.00 2.00 0.00 0.00 35.95 38.60 3hox h PHE 815 CO -0.24 -0.06 0.39 1.25 -0.18 0.00 0.00 178.31 179.47 3hox h HIS 816 N -0.08 0.66 0.15 -0.55 2.76 -0.57 0.04 115.15 117.56 3hox h HIS 816 Ca 0.01 0.04 0.01 0.00 -2.20 0.00 0.00 60.37 58.23 3hox h HIS 816 Cb 0.09 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 28.88 3hox h HIS 816 CO -0.10 0.01 -0.18 0.00 -1.30 0.00 0.00 177.93 176.36 3hox h ALA 817 N 1.66 -0.34 -0.90 5.26 0.00 -0.02 0.13 119.26 125.04 3hox h ALA 817 Ca 0.52 -0.04 0.17 0.00 0.00 0.00 0.00 54.91 55.56 3hox h ALA 817 Cb 0.93 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 3hox h ALA 817 CO -0.48 -0.72 0.58 0.52 0.00 0.00 0.00 179.25 179.15 3hox h MET 818 N -0.38 0.60 0.43 0.00 2.07 -0.00 0.24 114.93 117.89 3hox h MET 818 Ca 0.01 -0.04 -0.02 0.00 -2.07 0.00 0.00 59.70 57.58 3hox h MET 818 Cb 0.37 -0.14 0.00 0.00 -1.87 0.00 0.00 31.60 29.97 3hox h MET 818 CO -0.07 0.40 -0.21 0.78 1.07 0.00 0.00 176.91 178.89 3hox h GLY 819 N 0.62 -0.60 0.08 8.32 0.00 -0.16 -3.23 103.07 108.10 3hox h GLY 819 Ca 0.47 0.22 0.01 0.00 0.00 0.00 0.00 47.33 48.03 3hox h GLY 819 CO -0.22 -0.22 -0.36 -1.33 0.00 0.00 0.00 176.54 174.41 3hox h GLY 820 N -0.88 -1.19 -0.52 4.60 0.00 0.32 -1.06 103.07 104.34 3hox h GLY 820 Ca -0.06 0.61 0.15 0.00 0.00 0.00 0.00 47.33 48.03 3hox h GLY 820 CO 0.10 -0.33 0.85 -2.13 0.00 0.00 0.00 176.54 175.02 3hox n ARG 821 N -4.51 0.01 -0.03 4.80 3.00 0.74 0.15 116.66 120.83 3hox n ARG 821 Ca -0.06 0.73 -0.16 0.00 -0.00 0.00 0.00 57.85 58.37 3hox n ARG 821 Cb 0.28 -1.87 -0.13 0.00 0.00 0.00 0.00 32.46 30.73 3hox n ARG 821 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 3hox h GLU 822 N 0.00 0.11 0.19 -0.14 4.81 -1.20 -3.07 114.58 115.28 3hox h GLU 822 Ca 0.25 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3hox h GLU 822 Cb 1.94 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 31.37 3hox h GLU 822 CO -0.00 1.07 -0.29 0.78 -0.73 0.00 0.00 179.01 179.84 3hox h GLY 823 N -0.76 -1.09 -0.63 1.92 0.00 0.14 0.36 103.07 103.01 3hox h GLY 823 Ca -0.05 0.52 0.26 0.00 0.00 0.00 0.00 47.33 48.05 3hox h GLY 823 CO 0.05 -0.34 1.07 1.41 0.00 0.00 0.00 176.54 178.73 3hox h LEU 824 N -0.51 0.00 0.00 3.11 3.38 -1.60 0.32 115.31 120.00 3hox h LEU 824 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3hox h LEU 824 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3hox h LEU 824 CO -0.09 0.00 -0.05 0.40 0.09 0.00 0.00 178.44 178.79 3hox h ILE 825 N 0.00 0.00 0.00 1.22 2.04 -0.87 -3.18 117.51 116.72 3hox h ILE 825 Ca 0.42 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 66.00 3hox h ILE 825 Cb 2.55 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.63 3hox h ILE 825 CO -0.00 0.00 0.12 -2.24 0.00 0.00 0.00 178.15 176.03 3hox h ASP 826 N -0.28 0.00 -0.49 1.72 3.04 -0.44 0.63 116.42 120.60 3hox h ASP 826 Ca 0.00 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 53.77 3hox h ASP 826 Cb 0.05 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.32 3hox h ASP 826 CO 0.00 0.00 0.24 0.00 -2.04 0.00 0.00 179.24 177.44 3hox h THR 827 N 0.00 1.19 -0.00 1.15 1.03 -0.52 2.30 112.91 118.05 3hox h THR 827 Ca 0.00 -0.51 0.00 0.00 -0.01 0.00 0.00 66.41 65.89 3hox h THR 827 Cb 0.24 0.63 0.00 0.00 -1.07 0.00 0.00 68.15 67.95 3hox h THR 827 CO 0.00 0.20 -0.00 0.00 -0.01 0.00 0.00 175.52 175.71 3hox n ALA 828 N -2.30 2.68 -0.02 0.00 0.00 0.21 -3.00 120.51 118.08 3hox n ALA 828 Ca 0.02 -0.22 -0.05 0.00 0.00 0.00 0.00 53.44 53.20 3hox n ALA 828 Cb 0.11 -1.50 -0.02 0.00 0.00 0.00 0.00 19.45 18.05 3hox n ALA 828 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3hox n VAL 829 N -0.92 1.28 0.00 0.00 0.31 -0.32 -4.36 118.33 114.32 3hox n VAL 829 Ca 0.24 0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.83 3hox n VAL 829 Cb 0.13 -1.95 0.00 0.00 -0.91 0.00 0.00 33.84 31.11 3hox n VAL 829 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3hox n LYS 830 N -3.91 0.00 -0.00 5.55 4.01 0.76 -0.96 118.16 123.61 3hox n LYS 830 Ca -0.07 0.00 -0.00 0.00 -0.51 0.00 0.00 58.31 57.73 3hox n LYS 830 Cb 0.26 -1.00 -0.00 0.00 -0.51 0.00 0.00 35.03 33.78 3hox n LYS 830 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 3hox n THR 831 N -0.41 0.02 0.27 -0.18 5.66 -1.16 -3.88 114.28 114.59 3hox n THR 831 Ca 0.00 0.43 0.10 0.00 -3.05 0.00 0.00 64.05 61.53 3hox n THR 831 Cb 0.00 -1.45 0.71 0.00 -1.55 0.00 0.00 70.33 68.04 3hox n THR 831 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3hox h ALA 832 N -1.73 1.72 -0.43 1.79 0.00 -1.60 0.57 119.26 119.58 3hox h ALA 832 Ca 0.00 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 3hox h ALA 832 Cb 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3hox h ALA 832 CO 0.00 0.06 -0.31 1.49 0.00 0.00 0.00 179.25 180.49 3hox h GLU 833 N 0.00 0.96 0.45 0.00 4.81 -1.29 -2.02 114.58 117.48 3hox h GLU 833 Ca -0.00 -0.46 -0.02 0.00 -0.13 0.00 0.00 59.36 58.74 3hox h GLU 833 Cb 0.10 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.48 3hox h GLU 833 CO 0.01 1.13 -0.21 1.15 -0.73 0.00 0.00 179.01 180.35 3hox h THR 834 N 0.80 0.54 -0.89 0.32 2.02 -0.75 -2.88 112.91 112.08 3hox h THR 834 Ca 0.08 -0.27 0.17 0.00 0.77 0.00 0.00 66.41 67.16 3hox h THR 834 Cb 0.90 0.66 -0.16 0.00 -1.74 0.00 0.00 68.15 67.81 3hox h THR 834 CO 0.08 0.05 -0.26 1.23 0.37 0.00 0.00 175.52 176.99 3hox h GLY 835 N -0.77 0.48 1.59 2.16 0.00 0.17 0.41 103.07 107.12 3hox h GLY 835 Ca -0.06 0.35 -0.04 0.00 0.00 0.00 0.00 47.33 47.57 3hox h GLY 835 CO 0.10 -0.31 0.03 -1.82 0.00 0.00 0.00 176.54 174.55 3hox h TYR 836 N -0.01 0.53 0.24 5.60 3.20 -1.33 -2.45 116.97 122.75 3hox h TYR 836 Ca 0.40 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.21 3hox h TYR 836 Cb 0.64 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.75 3hox h TYR 836 CO -0.72 0.50 -0.12 0.82 -1.64 0.00 0.00 178.16 177.00 3hox h ILE 837 N 0.51 0.79 -0.78 1.81 2.04 -0.06 -2.35 117.51 119.47 3hox h ILE 837 Ca 0.11 -0.76 0.23 0.00 1.00 0.00 0.00 64.86 65.44 3hox h ILE 837 Cb 0.28 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 3hox h ILE 837 CO 0.00 0.15 0.64 -0.61 0.00 0.00 0.00 178.15 178.34 3hox h GLN 838 N -0.74 0.00 0.00 2.37 -0.00 -0.82 -0.82 115.11 115.10 3hox h GLN 838 Ca -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.61 3hox h GLN 838 Cb 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.98 3hox h GLN 838 CO 0.05 0.00 -0.02 -0.09 0.00 0.00 0.00 178.83 178.78 3hox h ARG 839 N 0.00 0.00 -0.87 1.69 9.65 -1.24 -2.93 114.38 120.68 3hox h ARG 839 Ca 0.37 0.00 0.14 0.00 -1.10 0.00 0.00 59.98 59.39 3hox h ARG 839 Cb 1.65 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 30.14 3hox h ARG 839 CO -0.00 0.67 0.47 0.00 2.80 0.00 0.00 179.97 183.91 3hox h ARG 840 N -1.00 0.67 -0.14 0.20 3.08 -0.87 0.41 114.38 116.73 3hox h ARG 840 Ca -0.00 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.05 3hox h ARG 840 Cb 0.68 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.54 3hox h ARG 840 CO -0.00 0.44 -0.12 -0.07 -1.07 0.00 0.00 179.97 179.14 3hox h LEU 841 N 0.69 -0.39 -0.13 3.04 3.38 -1.26 0.10 115.31 120.74 3hox h LEU 841 Ca 0.47 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.50 3hox h LEU 841 Cb 0.63 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 3hox h LEU 841 CO -0.34 -0.17 0.01 0.58 0.09 0.00 0.00 178.44 178.62 3hox h VAL 842 N -0.14 1.23 0.00 1.22 2.07 -0.92 -2.02 116.25 117.69 3hox h VAL 842 Ca 0.09 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.88 3hox h VAL 842 Cb 0.28 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 3hox h VAL 842 CO -0.23 0.22 0.00 0.29 0.02 0.00 0.00 177.57 177.87 3hox n LYS 843 N -4.81 0.15 0.00 1.57 4.76 0.13 -1.17 118.16 118.79 3hox n LYS 843 Ca -0.05 0.57 0.12 0.00 -2.87 0.00 0.00 58.31 56.08 3hox n LYS 843 Cb 0.19 -1.92 0.27 0.00 -1.84 0.00 0.00 35.03 31.72 3hox n LYS 843 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hox n ALA 844 N -1.77 3.44 -0.43 7.82 0.00 0.34 -4.27 120.51 125.63 3hox n ALA 844 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.04 3hox n ALA 844 Cb 0.09 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3hox n ALA 844 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hox n LEU 845 N -1.11 0.27 0.00 0.00 4.77 -0.62 -4.95 117.00 115.36 3hox n LEU 845 Ca 0.08 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 3hox n LEU 845 Cb 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 3hox n LEU 845 CO 0.32 0.07 0.05 -0.62 -1.33 0.00 0.00 177.39 175.88 3hox n GLU 846 N -0.12 0.00 0.00 3.23 1.02 -0.32 -0.96 120.64 123.49 3hox n GLU 846 Ca 0.00 0.11 0.01 0.00 -0.02 0.00 0.00 57.16 57.25 3hox n GLU 846 Cb 0.11 -0.19 0.04 0.00 -0.02 0.00 0.00 31.44 31.37 3hox n GLU 846 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3hox n ASP 847 N -0.94 0.00 -4.70 1.62 5.75 -1.26 -4.05 116.55 112.97 3hox n ASP 847 Ca 0.00 -0.06 -0.40 0.00 -0.01 0.00 0.00 54.79 54.31 3hox n ASP 847 Cb 0.00 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.04 3hox n ASP 847 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3hox s ILE 848 N -2.00 5.00 0.01 2.12 1.01 -0.13 -3.78 121.20 123.42 3hox s ILE 848 Ca 0.02 1.50 -0.20 0.00 0.00 0.00 0.00 60.65 61.97 3hox s ILE 848 Cb 0.01 -4.07 0.04 0.00 0.01 0.00 0.00 42.46 38.45 3hox s ILE 848 CO 0.01 0.18 0.45 0.00 0.00 0.00 0.00 174.94 175.59 3hox s MET 849 N 1.20 0.90 0.01 2.79 0.23 -0.96 -1.07 119.30 122.41 3hox s MET 849 Ca 0.38 -0.18 -0.30 0.00 -1.03 0.00 0.00 55.69 54.55 3hox s MET 849 Cb -0.18 0.41 -0.06 0.00 -1.53 0.00 0.00 34.83 33.48 3hox s MET 849 CO 0.17 -0.29 1.42 0.08 -2.03 0.00 0.00 175.02 174.37 3hox s VAL 850 N -1.94 3.65 0.28 5.16 1.01 -1.06 -2.97 120.40 124.52 3hox s VAL 850 Ca -0.08 1.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.91 3hox s VAL 850 Cb -0.02 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 3hox s VAL 850 CO 0.02 -0.00 0.52 -1.00 0.00 0.00 0.00 175.10 174.63 3hox s HIS 851 N 2.39 3.48 0.13 5.22 3.76 -0.53 -2.13 115.29 127.61 3hox s HIS 851 Ca 0.65 0.54 0.04 0.00 -0.15 0.00 0.00 55.06 56.13 3hox s HIS 851 Cb -0.32 -2.02 0.20 0.00 1.11 0.00 0.00 32.58 31.54 3hox s HIS 851 CO 0.27 0.21 0.87 0.66 -0.85 0.00 0.00 174.74 175.90 3hox n TYR 852 N -0.98 0.12 0.13 1.40 0.53 -1.26 0.21 117.16 117.31 3hox n TYR 852 Ca -0.03 0.06 0.12 0.00 -1.02 0.00 0.00 57.90 57.03 3hox n TYR 852 Cb 0.54 -0.21 0.26 0.00 -1.03 0.00 0.00 39.34 38.90 3hox n TYR 852 CO 0.00 0.00 0.00 -0.40 -1.02 0.00 0.00 176.86 175.44 3hox n ASP 853 N -1.69 3.55 0.00 7.72 5.68 -1.26 -4.93 116.55 125.62 3hox n ASP 853 Ca -0.00 -1.99 0.00 0.00 -0.50 0.00 0.00 54.79 52.30 3hox n ASP 853 Cb 0.55 -0.33 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 3hox n ASP 853 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3hox n ASN 854 N 1.50 -0.55 -4.61 -1.12 3.02 0.58 -4.97 115.26 109.11 3hox n ASN 854 Ca 0.21 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.47 3hox n ASN 854 Cb 0.60 -0.26 0.15 0.00 -0.61 0.00 0.00 39.78 39.66 3hox n ASN 854 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3hox s THR 855 N -3.48 1.96 -0.35 3.41 -1.32 -1.17 -3.33 115.64 111.36 3hox s THR 855 Ca 0.00 0.00 -0.00 0.00 -1.21 0.00 0.00 61.69 60.48 3hox s THR 855 Cb 0.00 -2.75 0.12 0.00 -1.51 0.00 0.00 72.50 68.35 3hox s THR 855 CO 0.00 0.00 0.15 -0.89 -2.21 0.00 0.00 174.62 171.67 3hox s THR 856 N -3.33 0.81 0.30 5.08 2.01 -0.13 -1.45 115.64 118.94 3hox s THR 856 Ca 0.66 -1.68 0.09 0.00 0.31 0.00 0.00 61.69 61.07 3hox s THR 856 Cb -0.13 -1.60 -0.06 0.00 0.01 0.00 0.00 72.50 70.73 3hox s THR 856 CO 0.53 -0.79 -0.11 -0.13 -0.69 0.00 0.00 174.62 173.43 3hox s ARG 857 N 1.25 1.68 0.00 4.92 0.52 -1.16 -1.24 118.95 124.93 3hox s ARG 857 Ca 0.13 -1.84 0.00 0.00 -0.52 0.00 0.00 55.73 53.50 3hox s ARG 857 Cb -0.20 -1.54 0.00 0.00 0.52 0.00 0.00 34.95 33.73 3hox s ARG 857 CO -0.16 0.16 0.00 0.27 0.02 0.00 0.00 175.30 175.59 3hox n ASN 858 N -0.67 0.00 -0.50 0.23 2.04 -1.10 -2.27 115.26 112.99 3hox n ASN 858 Ca -0.05 0.00 0.05 0.00 -0.44 0.00 0.00 54.58 54.13 3hox n ASN 858 Cb 0.62 0.00 0.14 0.00 -2.53 0.00 0.00 39.78 38.01 3hox n ASN 858 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 3hox n SER 859 N 0.00 1.47 -0.44 0.53 3.41 -1.25 -2.87 113.62 114.47 3hox n SER 859 Ca 0.00 -1.98 0.07 0.00 -0.26 0.00 0.00 58.87 56.70 3hox n SER 859 Cb 0.00 -0.18 0.03 0.00 -0.26 0.00 0.00 64.21 63.80 3hox n SER 859 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hox n LEU 860 N 0.30 1.83 0.00 1.04 4.77 -1.26 -4.81 117.00 118.87 3hox n LEU 860 Ca 0.10 -0.90 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 3hox n LEU 860 Cb 0.23 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3hox n LEU 860 CO 0.07 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 3hox n GLY 861 N 0.87 1.87 3.68 -0.72 0.00 -1.14 -4.96 105.19 104.80 3hox n GLY 861 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 3hox n GLY 861 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hox n ASN 862 N 0.00 3.99 -4.76 1.61 4.13 -1.26 -4.75 115.26 114.22 3hox n ASN 862 Ca 0.00 0.96 -0.38 0.00 1.68 0.00 0.00 54.58 56.84 3hox n ASN 862 Cb 0.00 -1.52 0.00 0.00 -1.54 0.00 0.00 39.78 36.73 3hox n ASN 862 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3hox s VAL 863 N 3.38 2.70 0.00 2.41 1.01 -1.26 -2.71 120.40 125.94 3hox s VAL 863 Ca 0.85 0.56 0.00 0.00 0.00 0.00 0.00 61.98 63.39 3hox s VAL 863 Cb -0.50 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 32.59 3hox s VAL 863 CO 0.40 0.02 0.00 -0.38 0.00 0.00 0.00 175.10 175.15 3hox n ILE 864 N -0.42 0.00 -3.66 2.22 5.41 -0.38 -4.94 119.36 117.59 3hox n ILE 864 Ca 0.07 0.00 -0.07 0.00 1.00 0.00 0.00 62.75 63.75 3hox n ILE 864 Cb 0.46 -0.13 -0.07 0.00 -0.71 0.00 0.00 39.64 39.19 3hox n ILE 864 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 3hox s GLN 865 N -1.30 0.57 0.18 0.38 -0.21 -1.17 -4.82 119.66 113.29 3hox s GLN 865 Ca 0.00 1.16 -0.09 0.00 0.02 0.00 0.00 55.36 56.45 3hox s GLN 865 Cb 0.00 0.27 0.07 0.00 1.00 0.00 0.00 33.01 34.35 3hox s GLN 865 CO 0.00 -0.17 1.64 0.74 -2.12 0.00 0.00 175.29 175.38 3hox h PHE 866 N 7.35 1.16 -3.32 0.91 -1.00 -1.89 -0.31 116.94 119.84 3hox h PHE 866 Ca -0.28 -0.20 -0.56 0.00 2.81 0.00 0.00 57.97 59.75 3hox h PHE 866 Cb 1.18 -0.30 -0.38 0.00 3.61 0.00 0.00 35.95 40.06 3hox h PHE 866 CO 0.14 1.01 -0.79 0.42 -1.61 0.00 0.00 178.31 177.48 3hox s ILE 867 N -5.05 1.14 0.05 -0.55 1.09 -1.26 -3.05 121.20 113.58 3hox s ILE 867 Ca -0.12 -0.62 -0.30 0.00 -1.10 0.00 0.00 60.65 58.50 3hox s ILE 867 Cb 0.13 -1.29 -0.16 0.00 -1.06 0.00 0.00 42.46 40.08 3hox s ILE 867 CO 0.85 0.16 0.75 0.00 -0.10 0.00 0.00 174.94 176.60 3hox n TYR 868 N 4.87 0.24 -1.86 3.97 9.36 -1.21 -0.38 117.16 132.14 3hox n TYR 868 Ca -0.12 0.87 -0.14 0.00 3.32 0.00 0.00 57.90 61.83 3hox n TYR 868 Cb 0.48 -1.72 -0.04 0.00 -0.63 0.00 0.00 39.34 37.43 3hox n TYR 868 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3hox n GLY 869 N 1.39 0.52 2.47 2.98 0.00 -1.26 0.02 105.19 111.32 3hox n GLY 869 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 3hox n GLY 869 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hox n GLU 870 N -2.33 -1.42 0.00 1.61 1.02 0.49 -4.56 120.64 115.45 3hox n GLU 870 Ca -0.15 1.13 0.00 0.00 -0.02 0.00 0.00 57.16 58.12 3hox n GLU 870 Cb 0.53 -5.48 0.00 0.00 -0.02 0.00 0.00 31.44 26.47 3hox n GLU 870 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3hox n ASP 871 N -1.18 0.00 -0.15 1.62 5.75 -0.66 -4.83 116.55 117.10 3hox n ASP 871 Ca -0.19 0.00 -0.02 0.00 -0.01 0.00 0.00 54.79 54.57 3hox n ASP 871 Cb 0.63 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.71 3hox n ASP 871 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hox n GLY 872 N 0.00 0.53 3.87 6.12 0.00 0.10 -4.91 105.19 110.91 3hox n GLY 872 Ca 0.00 -0.35 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 3hox n GLY 872 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hox s MET 873 N -1.24 3.59 -0.46 1.61 -1.94 -1.26 -0.06 119.30 119.54 3hox s MET 873 Ca 0.00 0.02 -0.26 0.00 -1.71 0.00 0.00 55.69 53.74 3hox s MET 873 Cb 0.00 -3.17 0.03 0.00 2.01 0.00 0.00 34.83 33.69 3hox s MET 873 CO 0.00 0.73 0.98 0.34 -0.01 0.00 0.00 175.02 177.06 3hox s ASP 874 N -1.19 6.55 0.30 3.03 2.15 0.54 -4.65 116.67 123.40 3hox s ASP 874 Ca 0.20 0.25 0.03 0.00 0.43 0.00 0.00 52.55 53.46 3hox s ASP 874 Cb -0.13 -2.48 0.17 0.00 -0.30 0.00 0.00 42.92 40.18 3hox s ASP 874 CO 0.09 -1.09 0.87 0.00 -0.17 0.00 0.00 175.17 174.86 3hox n ALA 875 N 7.32 0.16 0.03 3.66 0.00 -1.26 -0.47 120.51 129.95 3hox n ALA 875 Ca 0.08 0.03 -0.03 0.00 0.00 0.00 0.00 53.44 53.52 3hox n ALA 875 Cb 0.49 -0.20 0.21 0.00 0.00 0.00 0.00 19.45 19.95 3hox n ALA 875 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hox h ALA 876 N 0.30 1.12 -1.88 0.00 0.00 -1.86 -3.30 119.26 113.63 3hox h ALA 876 Ca 0.00 -0.35 -0.80 0.00 0.00 0.00 0.00 54.91 53.76 3hox h ALA 876 Cb 1.24 -0.11 -0.27 0.00 0.00 0.00 0.00 17.79 18.64 3hox h ALA 876 CO 0.00 0.55 0.87 0.72 0.00 0.00 0.00 179.25 181.39 3hox n HIS 877 N -4.11 2.58 -3.58 0.00 8.25 0.38 -4.81 115.22 113.93 3hox n HIS 877 Ca -0.01 -2.71 -0.16 0.00 -0.26 0.00 0.00 57.72 54.58 3hox n HIS 877 Cb 0.41 -1.36 -0.07 0.00 1.12 0.00 0.00 29.99 30.09 3hox n HIS 877 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3hox s ILE 878 N -2.37 0.01 0.12 1.59 1.01 -1.24 -4.29 121.20 116.03 3hox s ILE 878 Ca 0.32 -0.05 -0.08 0.00 0.00 0.00 0.00 60.65 60.84 3hox s ILE 878 Cb 0.04 -0.94 -0.01 0.00 0.01 0.00 0.00 42.46 41.56 3hox s ILE 878 CO 0.08 -0.03 0.20 -1.61 0.00 0.00 0.00 174.94 173.59 3hox s GLU 879 N -0.79 0.96 -0.25 2.79 2.02 -1.10 -4.77 118.70 117.56 3hox s GLU 879 Ca -0.08 -1.09 -0.29 0.00 0.02 0.00 0.00 54.97 53.52 3hox s GLU 879 Cb -0.02 0.34 -0.01 0.00 0.10 0.00 0.00 34.13 34.54 3hox s GLU 879 CO 0.07 -0.32 1.46 0.21 0.02 0.00 0.00 175.26 176.70 3hox s LYS 880 N -3.92 3.87 0.22 1.61 2.20 -1.26 0.09 119.74 122.55 3hox s LYS 880 Ca 0.11 1.48 0.11 0.00 -0.36 0.00 0.00 55.97 57.31 3hox s LYS 880 Cb 0.05 -3.95 -0.05 0.00 -1.51 0.00 0.00 37.83 32.37 3hox s LYS 880 CO -0.06 -1.19 -0.21 -0.65 -0.36 0.00 0.00 175.35 172.89 3hox s GLN 881 N 4.39 1.51 -0.27 4.03 -0.21 0.19 -4.86 119.66 124.45 3hox s GLN 881 Ca 0.64 -1.59 -0.03 0.00 0.02 0.00 0.00 55.36 54.41 3hox s GLN 881 Cb -0.21 -1.66 0.03 0.00 1.00 0.00 0.00 33.01 32.17 3hox s GLN 881 CO 0.26 0.33 -0.03 -1.54 -2.12 0.00 0.00 175.29 172.20 3hox s SER 882 N -3.00 4.55 -0.91 5.90 1.04 -1.26 -0.03 113.70 120.00 3hox s SER 882 Ca 0.23 -0.91 -0.24 0.00 0.48 0.00 0.00 55.95 55.51 3hox s SER 882 Cb -0.06 -1.71 -0.01 0.00 0.10 0.00 0.00 66.02 64.34 3hox s SER 882 CO 0.11 -0.16 1.73 -0.76 0.98 0.00 0.00 173.24 175.14 3hox s LEU 883 N 1.34 3.29 0.02 2.42 1.43 0.09 -4.88 118.68 122.38 3hox s LEU 883 Ca -0.00 -0.84 -0.04 0.00 -1.03 0.00 0.00 54.13 52.22 3hox s LEU 883 Cb -0.17 -2.56 -0.01 0.00 0.03 0.00 0.00 46.19 43.47 3hox s LEU 883 CO -0.03 -2.24 1.06 0.44 0.23 0.00 0.00 176.35 175.82 3hox h ASP 884 N 11.03 -0.23 -0.02 2.29 3.32 -1.91 -2.93 116.42 127.97 3hox h ASP 884 Ca 0.08 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3hox h ASP 884 Cb 1.02 0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.66 3hox h ASP 884 CO 1.29 -0.04 -0.00 0.41 -1.72 0.00 0.00 179.24 179.17 3hox n THR 885 N -3.06 -0.01 0.06 0.35 -1.04 -1.26 -2.22 114.28 107.11 3hox n THR 885 Ca -0.00 0.05 -0.04 0.00 -2.04 0.00 0.00 64.05 62.02 3hox n THR 885 Cb 0.04 -0.07 -0.02 0.00 -1.82 0.00 0.00 70.33 68.46 3hox n THR 885 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 3hox h ILE 886 N 0.00 0.00 -0.79 12.58 2.10 -1.83 -3.45 117.51 126.12 3hox h ILE 886 Ca 0.01 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.95 3hox h ILE 886 Cb 0.02 0.00 0.00 0.00 -1.09 0.00 0.00 36.82 35.75 3hox h ILE 886 CO -0.02 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 177.66 3hox n GLY 887 N -1.11 -2.53 0.40 8.18 0.00 -0.94 -4.91 105.19 104.27 3hox n GLY 887 Ca -0.02 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.62 3hox n GLY 887 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hox n GLY 888 N 1.95 -3.18 3.77 -0.02 0.00 -1.26 -4.95 105.19 101.51 3hox n GLY 888 Ca 0.00 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 3hox n GLY 888 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hox s SER 889 N -3.32 6.53 0.52 1.61 1.04 -1.26 -3.46 113.70 115.37 3hox s SER 889 Ca 0.00 2.80 0.34 0.00 0.48 0.00 0.00 55.95 59.57 3hox s SER 889 Cb 0.00 -2.65 1.49 0.00 0.10 0.00 0.00 66.02 64.95 3hox s SER 889 CO 0.00 -0.71 1.82 0.44 0.98 0.00 0.00 173.24 175.76 3hox h ASP 890 N 3.11 0.06 0.00 7.02 3.32 -1.82 -2.60 116.42 125.51 3hox h ASP 890 Ca -0.50 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.56 3hox h ASP 890 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3hox h ASP 890 CO 0.64 0.01 0.00 0.00 -1.72 0.00 0.00 179.24 178.17 3hox n ALA 891 N -2.72 0.00 -0.54 3.45 0.00 -1.26 -2.59 120.51 116.85 3hox n ALA 891 Ca 0.24 0.00 0.44 0.00 0.00 0.00 0.00 53.44 54.12 3hox n ALA 891 Cb 1.15 0.03 0.72 0.00 0.00 0.00 0.00 19.45 21.35 3hox n ALA 891 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hox h ALA 892 N -2.41 3.16 0.15 0.00 0.00 -1.86 0.24 119.26 118.55 3hox h ALA 892 Ca 0.00 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3hox h ALA 892 Cb 0.00 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3hox h ALA 892 CO 0.00 -1.79 -0.31 0.35 0.00 0.00 0.00 179.25 177.50 3hox h PHE 893 N 0.02 -0.84 -0.57 0.00 3.57 -1.37 0.20 116.94 117.96 3hox h PHE 893 Ca 0.88 0.02 0.05 0.00 3.53 0.00 0.00 57.97 62.45 3hox h PHE 893 Cb 3.07 0.35 -0.05 0.00 2.79 0.00 0.00 35.95 42.11 3hox h PHE 893 CO -0.00 -0.42 0.29 1.49 -2.23 0.00 0.00 178.31 177.43 3hox h GLU 894 N -0.55 0.53 0.00 1.11 4.81 -0.25 -0.62 114.58 119.61 3hox h GLU 894 Ca 0.02 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3hox h GLU 894 Cb 0.57 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.83 3hox h GLU 894 CO -0.16 0.35 0.00 -0.22 -0.73 0.00 0.00 179.01 178.25 3hox h LYS 895 N 0.55 0.00 0.00 1.92 3.64 -1.01 -1.22 116.57 120.45 3hox h LYS 895 Ca 0.26 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.34 3hox h LYS 895 Cb 0.18 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 3hox h LYS 895 CO -0.18 0.00 -1.97 -2.13 -2.27 0.00 0.00 179.45 172.90 3hox n ARG 896 N -2.45 0.56 0.00 1.90 0.63 0.62 -4.64 116.66 113.28 3hox n ARG 896 Ca -0.00 0.24 0.13 0.00 -0.92 0.00 0.00 57.85 57.30 3hox n ARG 896 Cb 0.14 -1.46 0.39 0.00 0.45 0.00 0.00 32.46 31.98 3hox n ARG 896 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3hox n TYR 897 N -4.32 0.00 -2.76 -0.14 4.02 -0.47 -4.42 117.16 109.07 3hox n TYR 897 Ca -0.39 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.09 3hox n TYR 897 Cb 0.75 -0.10 -0.05 0.00 -0.02 0.00 0.00 39.34 39.92 3hox n TYR 897 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 3hox s ARG 898 N -2.42 4.67 -0.15 -0.72 6.06 -0.46 -4.71 118.95 121.22 3hox s ARG 898 Ca 0.26 1.40 -0.04 0.00 -2.50 0.00 0.00 55.73 54.85 3hox s ARG 898 Cb 0.19 -3.37 0.06 0.00 0.06 0.00 0.00 34.95 31.89 3hox s ARG 898 CO 0.49 0.23 0.10 0.08 -2.50 0.00 0.00 175.30 173.71 3hox s VAL 899 N -0.05 -0.13 -0.41 7.11 1.01 -1.26 -4.91 120.40 121.75 3hox s VAL 899 Ca 0.46 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.41 3hox s VAL 899 Cb -0.23 -0.51 0.11 0.00 0.00 0.00 0.00 36.38 35.76 3hox s VAL 899 CO 0.29 -0.18 0.16 -0.62 0.00 0.00 0.00 175.10 174.74 3hox s ASP 900 N 2.17 4.82 0.34 3.32 -1.08 0.50 -4.83 116.67 121.92 3hox s ASP 900 Ca 0.03 -2.36 0.10 0.00 -0.52 0.00 0.00 52.55 49.80 3hox s ASP 900 Cb -0.15 -1.69 0.62 0.00 -1.46 0.00 0.00 42.92 40.23 3hox s ASP 900 CO -0.08 -0.38 1.78 -0.07 0.52 0.00 0.00 175.17 176.93 3hox h LEU 901 N 7.43 0.10 -3.30 -1.34 3.38 -1.94 -2.61 115.31 117.03 3hox h LEU 901 Ca -0.07 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 3hox h LEU 901 Cb 0.99 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.68 3hox h LEU 901 CO 0.61 0.47 0.03 0.18 0.09 0.00 0.00 178.44 179.82 3hox n LEU 902 N -4.07 5.58 -3.63 1.67 4.77 -1.26 -0.84 117.00 119.22 3hox n LEU 902 Ca -0.02 -2.75 -0.13 0.00 -0.03 0.00 0.00 56.01 53.09 3hox n LEU 902 Cb 0.43 -1.17 -0.07 0.00 -2.33 0.00 0.00 43.42 40.29 3hox n LEU 902 CO 0.40 1.18 0.52 0.21 -1.33 0.00 0.00 177.39 178.37 3hox s ASN 903 N 1.61 -0.66 0.22 -1.43 3.04 -1.16 -4.94 114.94 111.63 3hox s ASN 903 Ca 0.18 1.23 -0.03 0.00 0.04 0.00 0.00 52.86 54.28 3hox s ASN 903 Cb 0.11 1.23 0.21 0.00 -1.54 0.00 0.00 41.25 41.26 3hox s ASN 903 CO -0.01 -0.24 1.62 0.74 -3.04 0.00 0.00 177.10 176.16 3hox h THR 904 N 3.81 1.28 0.00 -5.21 2.02 -1.86 -3.15 112.91 109.79 3hox h THR 904 Ca -0.28 -1.41 -0.20 0.00 0.77 0.00 0.00 66.41 65.29 3hox h THR 904 Cb 1.16 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 68.88 3hox h THR 904 CO 0.09 0.46 -1.52 0.47 0.37 0.00 0.00 175.52 175.39 3hox n ASP 905 N -4.08 0.81 -1.30 4.18 8.00 -1.26 -4.43 116.55 118.47 3hox n ASP 905 Ca -0.01 0.36 -0.08 0.00 0.71 0.00 0.00 54.79 55.77 3hox n ASP 905 Cb 0.46 0.18 0.15 0.00 -0.02 0.00 0.00 41.12 41.90 3hox n ASP 905 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3hox n HIS 906 N -2.90 1.33 -3.36 1.24 8.25 -1.25 -5.00 115.22 113.53 3hox n HIS 906 Ca -0.12 -1.82 -0.21 0.00 -0.26 0.00 0.00 57.72 55.31 3hox n HIS 906 Cb 0.89 -0.46 0.04 0.00 1.12 0.00 0.00 29.99 31.58 3hox n HIS 906 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 3hox n THR 907 N -1.02 0.00 -3.09 1.59 5.66 -0.99 0.19 114.28 116.62 3hox n THR 907 Ca 0.34 -1.98 -0.41 0.00 -3.05 0.00 0.00 64.05 58.96 3hox n THR 907 Cb 0.90 -0.34 -0.06 0.00 -1.55 0.00 0.00 70.33 69.29 3hox n THR 907 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3hox s LEU 908 N 0.00 4.09 -0.03 1.09 1.43 -1.26 -4.85 118.68 119.15 3hox s LEU 908 Ca 0.48 0.79 -0.30 0.00 -1.03 0.00 0.00 54.13 54.08 3hox s LEU 908 Cb -0.04 -2.90 -0.06 0.00 0.03 0.00 0.00 46.19 43.22 3hox s LEU 908 CO 0.31 -0.35 1.68 -0.62 0.23 0.00 0.00 176.35 177.60 3hox s ASP 909 N 1.36 6.65 0.00 2.29 -1.08 -1.26 -4.81 116.67 119.82 3hox s ASP 909 Ca 0.28 2.30 0.00 0.00 -0.52 0.00 0.00 52.55 54.61 3hox s ASP 909 Cb -0.16 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.77 3hox s ASP 909 CO 0.09 -0.93 0.28 -0.81 0.52 0.00 0.00 175.17 174.33 3hox n PRO 910 N 6.99 0.00 0.20 4.34 -0.04 -1.26 -0.71 135.00 144.51 3hox n PRO 910 Ca 0.17 0.04 0.04 0.00 -0.04 0.00 0.00 63.50 63.71 3hox n PRO 910 Cb 0.42 -1.62 0.41 0.00 -0.04 0.00 0.00 33.50 32.68 3hox n PRO 910 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3hox h SER 911 N 0.00 0.00 0.00 3.54 4.64 -1.95 -3.38 113.55 116.40 3hox h SER 911 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hox h SER 911 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3hox h SER 911 CO 0.00 0.32 0.00 0.18 -0.87 0.00 0.00 176.83 176.46 3hox n LEU 912 N -4.09 0.00 -4.58 5.97 4.77 0.11 -3.95 117.00 115.23 3hox n LEU 912 Ca -0.02 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.61 3hox n LEU 912 Cb 0.37 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.55 3hox n LEU 912 CO 0.38 0.00 0.43 -0.11 -1.33 0.00 0.00 177.39 176.75 3hox n LEU 913 N 0.00 2.85 -0.05 2.23 7.94 -1.26 0.15 117.00 128.86 3hox n LEU 913 Ca 0.00 0.63 -0.12 0.00 -1.11 0.00 0.00 56.01 55.41 3hox n LEU 913 Cb 0.00 -1.37 -0.10 0.00 0.53 0.00 0.00 43.42 42.48 3hox n LEU 913 CO 0.00 -2.31 0.37 -0.08 -1.11 0.00 0.00 177.39 174.26 3hox h GLU 914 N -0.40 -0.02 -1.45 1.96 4.81 -1.76 -3.26 114.58 114.45 3hox h GLU 914 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3hox h GLU 914 Cb 1.33 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.72 3hox h GLU 914 CO 0.45 0.73 0.00 -1.13 -0.73 0.00 0.00 179.01 178.33 3hox n SER 915 N -4.69 3.41 0.02 1.04 3.41 -1.26 -4.47 113.62 111.08 3hox n SER 915 Ca -0.08 -1.94 -0.01 0.00 -0.26 0.00 0.00 58.87 56.58 3hox n SER 915 Cb 0.37 -0.65 0.28 0.00 -0.26 0.00 0.00 64.21 63.95 3hox n SER 915 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3hox h GLY 916 N 3.52 0.50 0.24 5.00 0.00 -1.83 -2.54 103.07 107.96 3hox h GLY 916 Ca 0.00 -0.33 -0.25 0.00 0.00 0.00 0.00 47.33 46.74 3hox h GLY 916 CO 0.00 0.31 -1.37 1.48 0.00 0.00 0.00 176.54 176.96 3hox h SER 917 N 0.43 0.17 0.00 0.19 4.64 -1.88 -3.32 113.55 113.78 3hox h SER 917 Ca 0.08 -0.70 0.00 0.00 -0.47 0.00 0.00 61.79 60.70 3hox h SER 917 Cb 0.46 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3hox h SER 917 CO 0.03 1.56 0.00 -1.84 -0.87 0.00 0.00 176.83 175.71 3hox n GLU 918 N -4.14 0.49 -0.10 4.77 0.28 -1.24 -2.39 120.64 118.30 3hox n GLU 918 Ca -0.29 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.59 3hox n GLU 918 Cb 0.79 -1.41 -0.15 0.00 1.43 0.00 0.00 31.44 32.10 3hox n GLU 918 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 177.13 178.48 3hox n ILE 919 N -0.91 1.44 -1.60 3.84 3.06 -0.96 -4.88 119.36 119.35 3hox n ILE 919 Ca 0.10 -0.78 -0.57 0.00 -2.50 0.00 0.00 62.75 59.00 3hox n ILE 919 Cb 0.04 -0.76 -0.07 0.00 0.54 0.00 0.00 39.64 39.39 3hox n ILE 919 CO 0.00 0.00 0.00 -0.11 -2.50 0.00 0.00 176.55 173.94 3hox n LEU 920 N -2.91 1.21 0.00 9.51 0.00 -1.01 -0.61 117.00 123.19 3hox n LEU 920 Ca -0.35 1.13 0.00 0.00 0.00 0.00 0.00 56.01 56.79 3hox n LEU 920 Cb 1.11 -1.06 0.00 0.00 0.00 0.00 0.00 43.42 43.47 3hox n LEU 920 CO 0.39 -1.19 0.00 0.61 0.00 0.00 0.00 177.39 177.20 3hox n GLY 921 N 2.65 2.00 3.56 -3.96 0.00 -0.02 -4.95 105.19 104.47 3hox n GLY 921 Ca 0.22 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 3hox n GLY 921 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hox s ASP 922 N -3.50 4.55 0.54 1.61 -1.08 0.22 -4.76 116.67 114.24 3hox s ASP 922 Ca 0.00 -0.37 0.29 0.00 -0.52 0.00 0.00 52.55 51.96 3hox s ASP 922 Cb 0.00 -2.56 1.46 0.00 -1.46 0.00 0.00 42.92 40.36 3hox s ASP 922 CO 0.00 -3.29 1.93 -0.07 0.52 0.00 0.00 175.17 174.25 3hox h LEU 923 N 20.07 0.00 -1.01 -1.34 4.07 -1.92 0.11 115.31 135.28 3hox h LEU 923 Ca 0.05 0.00 0.02 0.00 0.08 0.00 0.00 57.88 58.04 3hox h LEU 923 Cb 1.00 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.69 3hox h LEU 923 CO 1.11 0.00 0.67 0.11 -1.08 0.00 0.00 178.44 179.25 3hox h LYS 924 N 0.00 1.29 0.10 1.13 1.79 -1.98 -2.94 116.57 115.96 3hox h LYS 924 Ca 0.35 -0.08 -0.00 0.00 -2.18 0.00 0.00 60.65 58.74 3hox h LYS 924 Cb 1.44 -0.29 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 3hox h LYS 924 CO -0.00 0.86 -0.05 -0.07 -1.08 0.00 0.00 179.45 179.11 3hox h LEU 925 N 1.33 -0.11 -0.11 2.94 3.38 -1.38 -3.24 115.31 118.11 3hox h LEU 925 Ca 0.38 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3hox h LEU 925 Cb -0.10 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3hox h LEU 925 CO -0.10 0.49 0.45 0.00 0.09 0.00 0.00 178.44 179.37 3hox n GLN 926 N -4.83 0.01 0.05 1.13 1.13 -0.89 0.96 117.38 114.94 3hox n GLN 926 Ca -0.05 0.25 -0.03 0.00 -1.94 0.00 0.00 57.00 55.22 3hox n GLN 926 Cb 0.19 -1.99 -0.02 0.00 0.11 0.00 0.00 30.24 28.53 3hox n GLN 926 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3hox h VAL 927 N 0.00 0.00 -0.69 5.09 2.07 -1.54 -2.26 116.25 118.92 3hox h VAL 927 Ca 0.00 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 3hox h VAL 927 Cb 0.90 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3hox h VAL 927 CO 0.00 0.00 0.39 -0.07 0.02 0.00 0.00 177.57 177.91 3hox h LEU 928 N -0.93 0.86 -2.64 2.57 3.38 0.46 0.62 115.31 119.63 3hox h LEU 928 Ca -0.02 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3hox h LEU 928 Cb 0.17 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3hox h LEU 928 CO 0.04 0.70 0.00 0.25 0.09 0.00 0.00 178.44 179.52 3hox h LEU 929 N 0.95 0.00 0.02 1.67 7.12 -0.67 0.69 115.31 125.09 3hox h LEU 929 Ca 0.24 0.00 -0.25 0.00 0.13 0.00 0.00 57.88 58.00 3hox h LEU 929 Cb 0.03 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.13 3hox h LEU 929 CO -0.04 0.00 -1.35 0.44 -0.13 0.00 0.00 178.44 177.35 3hox h ASP 930 N 0.00 0.06 -0.90 1.25 3.32 -0.39 -3.18 116.42 116.59 3hox h ASP 930 Ca 0.00 -0.58 0.23 0.00 0.02 0.00 0.00 57.03 56.70 3hox h ASP 930 Cb 0.01 -0.02 -0.13 0.00 0.22 0.00 0.00 39.33 39.42 3hox h ASP 930 CO 0.00 1.54 0.39 -0.08 -1.72 0.00 0.00 179.24 179.37 3hox h GLU 931 N -0.84 0.36 0.16 3.56 4.81 -0.07 0.49 114.58 123.05 3hox h GLU 931 Ca -0.36 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 58.85 3hox h GLU 931 Cb 1.41 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.70 3hox h GLU 931 CO -0.17 0.24 -0.19 1.49 -0.73 0.00 0.00 179.01 179.66 3hox h GLU 932 N 0.37 -0.34 -0.66 1.92 4.81 -1.02 -2.02 114.58 117.65 3hox h GLU 932 Ca 0.57 0.02 0.19 0.00 -0.13 0.00 0.00 59.36 60.01 3hox h GLU 932 Cb 1.12 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.55 3hox h GLU 932 CO -0.55 -0.23 0.47 -0.92 -0.73 0.00 0.00 179.01 177.05 3hox h TYR 933 N -0.35 0.02 -0.03 0.92 3.20 -1.04 -0.51 116.97 119.17 3hox h TYR 933 Ca -0.02 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.70 3hox h TYR 933 Cb 0.31 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 3hox h TYR 933 CO -0.17 0.01 -0.65 -0.22 -1.64 0.00 0.00 178.16 175.49 3hox h LYS 934 N 0.02 0.14 0.03 1.82 3.64 0.29 -2.34 116.57 120.16 3hox h LYS 934 Ca 0.31 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3hox h LYS 934 Cb 1.23 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 3hox h LYS 934 CO -0.01 0.74 -0.01 0.37 -2.27 0.00 0.00 179.45 178.27 3hox h GLN 935 N 0.10 -0.03 -0.82 1.90 5.75 -0.41 -1.54 115.11 120.05 3hox h GLN 935 Ca -0.01 0.00 0.19 0.00 -0.15 0.00 0.00 58.65 58.68 3hox h GLN 935 Cb 1.17 0.01 -0.12 0.00 1.07 0.00 0.00 27.48 29.60 3hox h GLN 935 CO 0.09 0.63 0.27 -0.07 -2.65 0.00 0.00 178.83 177.10 3hox h LEU 936 N -0.75 0.13 -0.55 -2.39 3.38 -1.28 0.33 115.31 114.19 3hox h LEU 936 Ca -0.00 0.16 -0.16 0.00 0.09 0.00 0.00 57.88 57.96 3hox h LEU 936 Cb 0.68 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 3hox h LEU 936 CO 0.01 -0.04 -0.60 1.62 0.09 0.00 0.00 178.44 179.52 3hox h VAL 937 N 0.32 1.35 -0.34 1.22 3.04 -1.44 -2.04 116.25 118.35 3hox h VAL 937 Ca 0.49 -1.91 -0.02 0.00 -1.01 0.00 0.00 66.70 64.25 3hox h VAL 937 Cb 0.89 1.90 -0.01 0.00 -2.01 0.00 0.00 31.29 32.06 3hox h VAL 937 CO -0.54 0.58 0.12 0.50 -1.01 0.00 0.00 177.57 177.22 3hox h LYS 938 N 0.32 0.52 -0.07 4.17 3.64 0.49 -2.76 116.57 122.87 3hox h LYS 938 Ca -0.00 -0.10 0.04 0.00 -1.27 0.00 0.00 60.65 59.31 3hox h LYS 938 Cb 1.13 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.82 3hox h LYS 938 CO 0.10 0.53 -0.27 -0.44 -2.27 0.00 0.00 179.45 177.11 3hox h ASP 939 N 0.39 -0.81 -0.82 4.20 3.32 -0.40 -1.72 116.42 120.58 3hox h ASP 939 Ca 0.11 0.12 0.07 0.00 0.02 0.00 0.00 57.03 57.35 3hox h ASP 939 Cb 0.23 0.35 -0.10 0.00 0.22 0.00 0.00 39.33 40.02 3hox h ASP 939 CO -0.01 -0.32 -0.48 -1.14 -1.72 0.00 0.00 179.24 175.57 3hox n ARG 940 N -5.38 -0.36 -0.21 3.56 0.63 -0.78 0.70 116.66 114.81 3hox n ARG 940 Ca -0.04 1.39 0.01 0.00 -0.92 0.00 0.00 57.85 58.30 3hox n ARG 940 Cb 0.30 -2.05 0.12 0.00 0.45 0.00 0.00 32.46 31.28 3hox n ARG 940 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 3hox h LYS 941 N 0.00 0.34 0.03 -0.14 1.79 -1.23 -1.86 116.57 115.50 3hox h LYS 941 Ca 0.13 -0.02 0.02 0.00 -2.18 0.00 0.00 60.65 58.60 3hox h LYS 941 Cb 0.34 -0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 30.86 3hox h LYS 941 CO -0.77 0.22 -0.52 0.35 -1.08 0.00 0.00 179.45 177.66 3hox h PHE 942 N 0.35 -1.51 -0.06 -1.35 3.57 0.12 -1.99 116.94 116.07 3hox h PHE 942 Ca 0.33 0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.92 3hox h PHE 942 Cb 0.47 0.65 -0.06 0.00 2.79 0.00 0.00 35.95 39.81 3hox h PHE 942 CO -0.20 -0.56 -0.35 -0.07 -2.23 0.00 0.00 178.31 174.89 3hox h LEU 943 N -0.67 -1.08 0.00 0.59 3.38 -0.51 0.44 115.31 117.46 3hox h LEU 943 Ca 0.01 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3hox h LEU 943 Cb 0.71 0.44 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3hox h LEU 943 CO -0.33 -0.40 0.08 0.54 0.09 0.00 0.00 178.44 178.43 3hox n ARG 944 N -5.42 0.00 -0.08 1.13 1.74 -0.75 0.39 116.66 113.67 3hox n ARG 944 Ca -0.04 0.15 -0.09 0.00 -0.77 0.00 0.00 57.85 57.10 3hox n ARG 944 Cb 0.34 -1.58 -0.11 0.00 -1.02 0.00 0.00 32.46 30.09 3hox n ARG 944 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3hox n GLU 945 N -1.06 1.23 -0.09 5.56 2.13 0.14 -3.98 120.64 124.57 3hox n GLU 945 Ca 0.00 0.02 -0.17 0.00 0.66 0.00 0.00 57.16 57.67 3hox n GLU 945 Cb 0.08 -1.40 -0.12 0.00 0.27 0.00 0.00 31.44 30.27 3hox n GLU 945 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3hox h VAL 946 N 0.00 1.31 -1.92 6.31 2.07 0.72 -3.37 116.25 121.37 3hox h VAL 946 Ca -0.43 -2.22 -0.76 0.00 0.82 0.00 0.00 66.70 64.11 3hox h VAL 946 Cb 1.88 2.71 -0.24 0.00 -1.52 0.00 0.00 31.29 34.12 3hox h VAL 946 CO -0.00 0.44 1.21 0.49 0.02 0.00 0.00 177.57 179.73 3hox n PHE 947 N -4.53 2.70 -0.26 1.57 0.99 0.16 -4.83 117.46 113.26 3hox n PHE 947 Ca -0.20 -2.49 0.11 0.00 -0.00 0.00 0.00 57.45 54.87 3hox n PHE 947 Cb 0.56 -1.31 0.22 0.00 -1.00 0.00 0.00 39.48 37.96 3hox n PHE 947 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 3hox n VAL 948 N 0.17 -0.32 -0.32 -4.37 0.31 -1.26 0.38 118.33 112.93 3hox n VAL 948 Ca 0.51 1.66 0.16 0.00 -0.01 0.00 0.00 64.34 66.67 3hox n VAL 948 Cb 0.27 -2.43 0.33 0.00 -0.91 0.00 0.00 33.84 31.10 3hox n VAL 948 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 3hox h ASP 949 N 0.00 -0.23 0.00 4.52 -0.00 -1.89 -3.45 116.42 115.37 3hox h ASP 949 Ca 0.46 0.25 0.00 0.00 -0.00 0.00 0.00 57.03 57.74 3hox h ASP 949 Cb 0.95 0.39 0.00 0.00 -0.00 0.00 0.00 39.33 40.67 3hox h ASP 949 CO -0.71 -0.30 0.00 0.61 -0.00 0.00 0.00 179.24 178.84 3hox n GLY 950 N -1.43 0.70 3.69 -0.78 0.00 0.16 -4.78 105.19 102.75 3hox n GLY 950 Ca 0.24 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.82 3hox n GLY 950 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3hox n GLU 951 N -1.06 2.28 0.00 1.61 4.07 -1.26 -4.56 120.64 121.72 3hox n GLU 951 Ca 0.00 0.82 0.02 0.00 -0.06 0.00 0.00 57.16 57.94 3hox n GLU 951 Cb 0.00 -2.56 0.01 0.00 -0.06 0.00 0.00 31.44 28.83 3hox n GLU 951 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3hox n ALA 952 N 2.77 2.49 -2.66 4.31 0.00 -1.26 -4.92 120.51 121.24 3hox n ALA 952 Ca 0.14 -0.52 -0.37 0.00 0.00 0.00 0.00 53.44 52.69 3hox n ALA 952 Cb 0.32 -0.12 -0.10 0.00 0.00 0.00 0.00 19.45 19.55 3hox n ALA 952 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3hox s ASN 953 N -0.33 6.09 0.07 0.00 0.01 -1.26 -0.73 114.94 118.79 3hox s ASN 953 Ca 0.04 0.10 -0.06 0.00 -0.71 0.00 0.00 52.86 52.23 3hox s ASN 953 Cb 0.03 -2.10 -0.02 0.00 0.41 0.00 0.00 41.25 39.57 3hox s ASN 953 CO 0.05 0.06 0.10 0.26 -1.51 0.00 0.00 177.10 176.05 3hox s TRP 954 N 1.12 0.30 -0.30 2.20 0.52 0.96 -4.89 118.94 118.85 3hox s TRP 954 Ca 0.07 -0.78 -0.29 0.00 0.02 0.00 0.00 56.10 55.12 3hox s TRP 954 Cb -0.14 -0.19 0.01 0.00 -1.15 0.00 0.00 33.47 32.00 3hox s TRP 954 CO 0.05 -0.48 1.18 -1.25 0.02 0.00 0.00 176.95 176.48 3hox s PRO 955 N -3.88 4.02 -0.05 4.98 0.04 -1.26 0.57 135.00 139.42 3hox s PRO 955 Ca 0.06 1.19 -0.04 0.00 0.04 0.00 0.00 61.00 62.24 3hox s PRO 955 Cb 0.06 -3.80 0.01 0.00 0.04 0.00 0.00 34.50 30.82 3hox s PRO 955 CO -0.11 -0.98 0.13 -0.51 0.04 0.00 0.00 177.00 175.58 3hox s LEU 956 N 3.93 1.47 0.85 -3.56 1.43 0.11 -4.83 118.68 118.09 3hox s LEU 956 Ca 0.51 0.26 -0.12 0.00 -1.03 0.00 0.00 54.13 53.74 3hox s LEU 956 Cb -0.15 0.43 0.11 0.00 0.03 0.00 0.00 46.19 46.61 3hox s LEU 956 CO 0.19 -0.05 1.18 -0.81 0.23 0.00 0.00 176.35 177.09 3hox n PRO 957 N 3.07 -0.06 -2.66 1.29 -0.04 -1.26 -2.71 135.00 132.63 3hox n PRO 957 Ca -0.13 0.06 -0.03 0.00 -0.04 0.00 0.00 63.50 63.36 3hox n PRO 957 Cb 0.59 -2.42 -0.03 0.00 -0.04 0.00 0.00 33.50 31.61 3hox n PRO 957 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3hox n VAL 958 N -3.66-12.60 -2.02 0.52 0.31 -1.26 -4.78 118.33 94.83 3hox n VAL 958 Ca 0.13 2.37 -0.34 0.00 -0.01 0.00 0.00 64.34 66.49 3hox n VAL 958 Cb 0.51 -6.76 -0.04 0.00 -0.91 0.00 0.00 33.84 26.64 3hox n VAL 958 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3hox s ASN 959 N -1.13 5.18 0.24 4.52 3.84 -1.26 -4.79 114.94 121.53 3hox s ASN 959 Ca -0.16 0.04 0.01 0.00 0.21 0.00 0.00 52.86 52.97 3hox s ASN 959 Cb 0.01 -2.54 0.27 0.00 -0.55 0.00 0.00 41.25 38.45 3hox s ASN 959 CO 0.80 -2.53 1.61 0.40 -2.79 0.00 0.00 177.10 174.58 3hox h ILE 960 N 7.04 1.31 0.26 -5.21 2.04 -1.94 -2.58 117.51 118.45 3hox h ILE 960 Ca -0.14 -1.63 -0.01 0.00 1.00 0.00 0.00 64.86 64.08 3hox h ILE 960 Cb 1.11 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 38.84 3hox h ILE 960 CO 1.21 0.50 -0.33 -0.09 0.00 0.00 0.00 178.15 179.44 3hox h ARG 961 N 0.35 -0.59 0.02 2.37 2.43 -2.01 -3.09 114.38 113.87 3hox h ARG 961 Ca 0.03 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.26 3hox h ARG 961 Cb 0.92 0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 30.55 3hox h ARG 961 CO 0.08 -0.39 -0.50 -0.09 -1.51 0.00 0.00 179.97 177.56 3hox h ARG 962 N -0.61 -0.64 0.00 0.20 2.43 -1.97 -1.59 114.38 112.20 3hox h ARG 962 Ca -0.03 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3hox h ARG 962 Cb 0.54 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 3hox h ARG 962 CO -0.08 -0.43 0.00 1.51 -1.51 0.00 0.00 179.97 179.47 3hox n ILE 963 N -5.47 0.00 -0.04 1.20 3.06 -0.97 0.23 119.36 117.37 3hox n ILE 963 Ca -0.07 0.00 -0.06 0.00 -2.50 0.00 0.00 62.75 60.12 3hox n ILE 963 Cb 0.39 -0.90 -0.04 0.00 0.54 0.00 0.00 39.64 39.63 3hox n ILE 963 CO 0.00 0.00 0.00 -0.38 -2.50 0.00 0.00 176.55 173.67 3hox n ILE 964 N -0.62 0.50 0.12 9.51 5.41 -0.62 -4.17 119.36 129.49 3hox n ILE 964 Ca 0.00 -0.21 -0.13 0.00 1.00 0.00 0.00 62.75 63.41 3hox n ILE 964 Cb 0.00 -0.81 -0.06 0.00 -0.71 0.00 0.00 39.64 38.06 3hox n ILE 964 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 3hox h GLN 965 N 0.00 -0.46 -0.08 0.38 4.20 0.31 0.74 115.11 120.20 3hox h GLN 965 Ca -0.20 0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.59 3hox h GLN 965 Cb 1.33 0.10 -0.05 0.00 0.30 0.00 0.00 27.48 29.16 3hox h GLN 965 CO -0.02 -0.30 -0.24 -0.91 -0.67 0.00 0.00 178.83 176.69 3hox h ASN 966 N -0.47 -0.72 -0.93 1.46 2.35 -1.68 -0.37 115.58 115.21 3hox h ASN 966 Ca 0.03 0.11 0.14 0.00 -0.55 0.00 0.00 56.30 56.03 3hox h ASN 966 Cb 0.50 0.31 -0.15 0.00 0.05 0.00 0.00 38.32 39.03 3hox h ASN 966 CO -0.14 -0.29 -0.42 0.00 -1.65 0.00 0.00 177.43 174.93 3hox h ALA 967 N 0.59 0.01 0.06 -0.83 0.00 -1.30 0.94 119.26 118.73 3hox h ALA 967 Ca 0.09 0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.24 3hox h ALA 967 Cb 0.45 1.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 3hox h ALA 967 CO -0.27 -0.69 -0.24 1.96 0.00 0.00 0.00 179.25 180.01 3hox h GLN 968 N -0.03 -0.33 0.00 0.00 4.20 0.20 -2.48 115.11 116.68 3hox h GLN 968 Ca 0.30 0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.03 3hox h GLN 968 Cb 0.57 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.42 3hox h GLN 968 CO -0.94 -0.22 0.00 0.00 -0.67 0.00 0.00 178.83 177.00 3hox n GLN 969 N -3.80 0.08 0.18 1.46 10.64 -0.20 -1.39 117.38 124.35 3hox n GLN 969 Ca -0.04 0.34 0.05 0.00 -1.83 0.00 0.00 57.00 55.53 3hox n GLN 969 Cb 0.19 -1.66 0.27 0.00 -0.86 0.00 0.00 30.24 28.18 3hox n GLN 969 CO 0.00 0.00 0.00 1.15 -1.83 0.00 0.00 177.06 176.38 3hox h THR 970 N 0.00 0.88 -0.05 -0.39 2.02 0.13 -3.20 112.91 112.30 3hox h THR 970 Ca 0.00 -1.67 0.00 0.00 0.77 0.00 0.00 66.41 65.51 3hox h THR 970 Cb 0.28 2.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.72 3hox h THR 970 CO 0.00 0.40 0.00 0.49 0.37 0.00 0.00 175.52 176.78 3hox n PHE 971 N -3.46 0.12 -2.86 3.16 3.01 -0.71 -4.99 117.46 111.73 3hox n PHE 971 Ca 0.00 -0.75 -0.11 0.00 1.01 0.00 0.00 57.45 57.60 3hox n PHE 971 Cb 0.56 -0.12 -0.01 0.00 -0.01 0.00 0.00 39.48 39.90 3hox n PHE 971 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 3hox n HIS 972 N -0.83 -1.76 -1.49 1.38 8.25 -0.49 -4.74 115.22 115.53 3hox n HIS 972 Ca 0.10 0.15 -0.61 0.00 -0.26 0.00 0.00 57.72 57.10 3hox n HIS 972 Cb 0.49 -1.65 -0.10 0.00 1.12 0.00 0.00 29.99 29.85 3hox n HIS 972 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3hox n ILE 973 N -3.03 0.08 -3.21 1.59 5.41 -1.07 -4.91 119.36 114.21 3hox n ILE 973 Ca -0.01 -0.05 -0.39 0.00 1.00 0.00 0.00 62.75 63.30 3hox n ILE 973 Cb 0.52 -0.78 -0.06 0.00 -0.71 0.00 0.00 39.64 38.61 3hox n ILE 973 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 176.55 178.06 3hox s ASP 974 N 4.96 6.68 0.00 4.38 -4.77 -1.26 -4.95 116.67 121.71 3hox s ASP 974 Ca 1.11 0.82 0.00 0.00 -3.30 0.00 0.00 52.55 51.18 3hox s ASP 974 Cb -1.34 -2.32 0.00 0.00 -1.09 0.00 0.00 42.92 38.17 3hox s ASP 974 CO 0.68 -0.14 0.21 1.41 0.70 0.00 0.00 175.17 178.03 3hox n HIS 975 N 4.41 0.00 -0.05 2.11 8.25 -1.26 -3.34 115.22 125.34 3hox n HIS 975 Ca -0.04 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.32 3hox n HIS 975 Cb 0.51 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.58 3hox n HIS 975 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3hox n THR 976 N -0.28 0.87 -0.63 1.59 -2.24 -1.26 -5.02 114.28 107.32 3hox n THR 976 Ca 0.00 -0.03 -0.31 0.00 -2.27 0.00 0.00 64.05 61.44 3hox n THR 976 Cb 0.02 -1.74 0.19 0.00 -2.10 0.00 0.00 70.33 66.70 3hox n THR 976 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3hox n LYS 977 N -3.66 -1.63 -3.65 -0.78 4.76 -1.21 -4.93 118.16 107.06 3hox n LYS 977 Ca -0.19 -0.45 -0.29 0.00 -2.87 0.00 0.00 58.31 54.52 3hox n LYS 977 Cb 0.54 -1.91 -0.04 0.00 -1.84 0.00 0.00 35.03 31.79 3hox n LYS 977 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3hox s PRO 978 N -3.84 3.56 1.08 1.97 0.04 -1.25 -4.85 135.00 131.70 3hox s PRO 978 Ca 0.61 -0.23 -0.18 0.00 0.04 0.00 0.00 61.00 61.24 3hox s PRO 978 Cb -0.18 -2.82 0.27 0.00 0.04 0.00 0.00 34.50 31.81 3hox s PRO 978 CO 0.66 0.40 0.81 0.45 0.04 0.00 0.00 177.00 179.36 3hox n SER 979 N -0.46 -2.65 -2.79 6.66 2.88 0.12 -4.79 113.62 112.59 3hox n SER 979 Ca -0.04 -0.91 -0.02 0.00 -1.33 0.00 0.00 58.87 56.58 3hox n SER 979 Cb 0.53 -0.81 0.06 0.00 -0.75 0.00 0.00 64.21 63.24 3hox n SER 979 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3hox n ASP 980 N -4.84 1.12 -4.73 -3.46 5.75 -1.26 -2.84 116.55 106.30 3hox n ASP 980 Ca 0.12 -2.14 -0.35 0.00 -0.01 0.00 0.00 54.79 52.41 3hox n ASP 980 Cb 0.48 -0.32 -0.09 0.00 -1.03 0.00 0.00 41.12 40.17 3hox n ASP 980 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3hox s LEU 981 N -3.75 3.75 0.43 -2.12 1.43 -1.26 -4.49 118.68 112.68 3hox s LEU 981 Ca 0.25 0.20 -0.21 0.00 -1.03 0.00 0.00 54.13 53.34 3hox s LEU 981 Cb 0.35 -1.90 -0.10 0.00 0.03 0.00 0.00 46.19 44.58 3hox s LEU 981 CO -0.04 0.38 0.98 -0.89 0.23 0.00 0.00 176.35 177.01 3hox s THR 982 N -0.94 4.16 -0.76 5.49 2.01 -1.26 -4.68 115.64 119.67 3hox s THR 982 Ca 0.14 1.41 0.10 0.00 0.31 0.00 0.00 61.69 63.65 3hox s THR 982 Cb -0.11 -3.60 0.09 0.00 0.01 0.00 0.00 72.50 68.89 3hox s THR 982 CO 0.03 -0.23 1.30 0.00 -0.69 0.00 0.00 174.62 175.03 3hox n ILE 983 N -0.58 1.50 -0.06 1.82 0.13 -1.26 -0.50 119.36 120.41 3hox n ILE 983 Ca 0.07 0.50 -0.18 0.00 -1.10 0.00 0.00 62.75 62.04 3hox n ILE 983 Cb 0.53 -1.45 -0.13 0.00 -0.84 0.00 0.00 39.64 37.75 3hox n ILE 983 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 3hox n LYS 984 N -1.75 0.70 0.05 9.51 4.81 -1.26 -3.81 118.16 126.40 3hox n LYS 984 Ca 0.00 0.19 -0.07 0.00 -0.87 0.00 0.00 58.31 57.57 3hox n LYS 984 Cb 0.06 -1.62 -0.04 0.00 0.02 0.00 0.00 35.03 33.44 3hox n LYS 984 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 3hox h ASP 985 N 0.03 -0.67 0.00 3.14 3.32 -1.13 0.85 116.42 121.96 3hox h ASP 985 Ca -0.48 0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.64 3hox h ASP 985 Cb 2.00 0.25 0.00 0.00 0.22 0.00 0.00 39.33 41.80 3hox h ASP 985 CO 0.01 -0.23 0.00 -0.38 -1.72 0.00 0.00 179.24 176.92 3hox n ILE 986 N -3.71 0.00 -0.21 0.35 5.41 -1.05 -1.46 119.36 118.70 3hox n ILE 986 Ca -0.04 0.85 0.00 0.00 1.00 0.00 0.00 62.75 64.56 3hox n ILE 986 Cb 0.17 -1.47 0.03 0.00 -0.71 0.00 0.00 39.64 37.66 3hox n ILE 986 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3hox n VAL 987 N -0.60 -0.27 0.63 1.39 0.31 -1.21 -0.48 118.33 118.09 3hox n VAL 987 Ca 0.00 1.26 0.13 0.00 -0.01 0.00 0.00 64.34 65.72 3hox n VAL 987 Cb 0.00 -1.69 0.45 0.00 -0.91 0.00 0.00 33.84 31.70 3hox n VAL 987 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3hox n LEU 988 N -4.81 0.60 -0.07 7.52 4.77 0.29 -1.62 117.00 123.68 3hox n LEU 988 Ca 0.06 0.58 -0.21 0.00 -0.03 0.00 0.00 56.01 56.41 3hox n LEU 988 Cb 0.23 -0.41 -0.12 0.00 -2.33 0.00 0.00 43.42 40.78 3hox n LEU 988 CO -0.07 -0.23 -0.44 1.23 -1.33 0.00 0.00 177.39 176.55 3hox h GLY 989 N 4.02 0.09 0.58 -0.72 0.00 0.38 -2.42 103.07 105.00 3hox h GLY 989 Ca 0.00 -0.23 0.08 0.00 0.00 0.00 0.00 47.33 47.18 3hox h GLY 989 CO 0.00 0.20 0.43 -2.08 0.00 0.00 0.00 176.54 175.09 3hox h VAL 990 N -0.74 0.93 -0.15 4.60 2.07 -1.47 1.81 116.25 123.30 3hox h VAL 990 Ca -0.31 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 66.91 3hox h VAL 990 Cb 1.45 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 3hox h VAL 990 CO -0.10 0.14 -0.13 0.50 0.02 0.00 0.00 177.57 178.00 3hox h LYS 991 N 0.74 0.23 0.06 1.57 3.64 -1.40 -2.90 116.57 118.51 3hox h LYS 991 Ca 0.36 -0.05 -0.29 0.00 -1.27 0.00 0.00 60.65 59.39 3hox h LYS 991 Cb 0.29 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 3hox h LYS 991 CO -0.22 0.37 -1.54 0.22 -2.27 0.00 0.00 179.45 176.01 3hox h ASP 992 N 0.22 0.20 -0.61 4.20 1.82 0.25 -3.34 116.42 119.17 3hox h ASP 992 Ca 0.05 -0.32 0.13 0.00 -0.39 0.00 0.00 57.03 56.49 3hox h ASP 992 Cb 0.36 -0.07 -0.10 0.00 0.68 0.00 0.00 39.33 40.20 3hox h ASP 992 CO 0.02 1.27 -0.01 0.25 -1.61 0.00 0.00 179.24 179.17 3hox h LEU 993 N 0.04 -0.28 -0.45 2.28 5.85 0.27 -1.45 115.31 121.57 3hox h LEU 993 Ca -0.23 0.15 0.09 0.00 0.84 0.00 0.00 57.88 58.73 3hox h LEU 993 Cb 1.97 0.27 -0.10 0.00 0.37 0.00 0.00 40.66 43.18 3hox h LEU 993 CO 0.12 -0.11 -0.32 1.56 -0.34 0.00 0.00 178.44 179.35 3hox h GLN 994 N 0.11 -0.21 -1.03 1.25 4.20 -1.67 0.47 115.11 118.23 3hox h GLN 994 Ca 0.31 0.01 0.30 0.00 0.06 0.00 0.00 58.65 59.34 3hox h GLN 994 Cb 0.51 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.29 3hox h GLN 994 CO -0.52 -0.14 1.20 0.39 -0.67 0.00 0.00 178.83 179.09 3hox n GLU 995 N -5.42 0.01 -0.01 1.46 -0.58 -0.55 -0.83 120.64 114.73 3hox n GLU 995 Ca 0.02 1.00 0.08 0.00 -0.42 0.00 0.00 57.16 57.84 3hox n GLU 995 Cb 0.34 -2.48 0.07 0.00 -0.57 0.00 0.00 31.44 28.80 3hox n GLU 995 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3hox n ASN 996 N -3.21 2.34 -3.79 1.62 3.02 0.16 -4.74 115.26 110.66 3hox n ASN 996 Ca 0.23 -1.67 -0.42 0.00 -0.03 0.00 0.00 54.58 52.70 3hox n ASN 996 Cb 1.51 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 40.67 3hox n ASN 996 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3hox n LEU 997 N 0.88 6.75 -4.73 3.41 4.77 -0.01 -4.94 117.00 123.13 3hox n LEU 997 Ca 0.09 -4.20 -0.41 0.00 -0.03 0.00 0.00 56.01 51.46 3hox n LEU 997 Cb 0.39 -1.64 -0.03 0.00 -2.33 0.00 0.00 43.42 39.81 3hox n LEU 997 CO 0.10 1.11 0.85 -0.76 -1.33 0.00 0.00 177.39 177.35 3hox s LEU 998 N 1.95 4.44 0.00 2.23 1.02 -1.26 -4.96 118.68 122.10 3hox s LEU 998 Ca 0.46 2.11 0.00 0.00 0.02 0.00 0.00 54.13 56.72 3hox s LEU 998 Cb 0.13 -3.60 0.00 0.00 0.02 0.00 0.00 46.19 42.74 3hox s LEU 998 CO -0.07 -0.35 0.00 0.52 0.02 0.00 0.00 176.35 176.47 3hox n VAL 999 N 2.89 0.00 -2.63 -1.59 0.31 -1.26 -4.84 118.33 111.20 3hox n VAL 999 Ca 0.05 0.15 -0.21 0.00 -0.01 0.00 0.00 64.34 64.31 3hox n VAL 999 Cb 0.46 -1.10 0.05 0.00 -0.91 0.00 0.00 33.84 32.33 3hox n VAL 999 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3hox s LEU 1000N -4.65 3.21 0.00 7.52 1.43 -1.26 -5.04 118.68 119.89 3hox s LEU 1000Ca 0.00 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 3hox s LEU 1000Cb 0.00 -2.71 0.00 0.00 0.03 0.00 0.00 46.19 43.51 3hox s LEU 1000CO 0.00 -1.27 0.00 0.54 0.23 0.00 0.00 176.35 175.85 3hox n ARG 1001N -2.43 0.99 0.00 1.70 1.74 -1.26 -4.95 116.66 112.45 3hox n ARG 1001Ca 0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 3hox n ARG 1001Cb 0.60 -0.95 0.00 0.00 -1.02 0.00 0.00 32.46 31.09 3hox n ARG 1001CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hox n GLY 1002N 3.16 0.00 2.38 -0.13 0.00 -1.26 -4.80 105.19 104.54 3hox n GLY 1002Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3hox n GLY 1002CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hox n LYS 1003N 0.00 2.56 -4.14 1.61 4.81 -1.26 -4.44 118.16 117.30 3hox n LYS 1003Ca 0.00 -3.05 -0.14 0.00 -0.87 0.00 0.00 58.31 54.26 3hox n LYS 1003Cb 0.00 -2.19 -0.07 0.00 0.02 0.00 0.00 35.03 32.80 3hox n LYS 1003CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3hox s ASN 1004N -1.32 0.61 0.15 3.14 2.20 -1.26 -5.07 114.94 113.39 3hox s ASN 1004Ca 0.58 -1.39 -0.09 0.00 -0.94 0.00 0.00 52.86 51.01 3hox s ASN 1004Cb 0.45 0.54 -0.02 0.00 -2.00 0.00 0.00 41.25 40.22 3hox s ASN 1004CO -0.09 -1.08 1.45 -0.08 -2.94 0.00 0.00 177.10 174.36 3hox h GLU 1005N 2.30 0.81 0.43 3.55 4.57 -1.98 -1.52 114.58 122.74 3hox h GLU 1005Ca -0.30 -0.49 -0.01 0.00 -1.18 0.00 0.00 59.36 57.38 3hox h GLU 1005Cb 1.24 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.86 3hox h GLU 1005CO 0.42 1.12 -0.42 0.82 -1.18 0.00 0.00 179.01 179.77 3hox h ILE 1006N 0.63 0.00 0.14 2.32 2.04 -1.98 0.52 117.51 121.18 3hox h ILE 1006Ca 0.02 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.89 3hox h ILE 1006Cb 1.10 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 3hox h ILE 1006CO 0.11 0.00 -0.41 0.40 0.00 0.00 0.00 178.15 178.26 3hox h ILE 1007N -0.84 0.00 -0.93 -0.67 1.08 -1.91 -1.21 117.51 113.03 3hox h ILE 1007Ca -0.05 0.00 0.25 0.00 -0.39 0.00 0.00 64.86 64.67 3hox h ILE 1007Cb 0.73 0.00 -0.17 0.00 -3.07 0.00 0.00 36.82 34.31 3hox h ILE 1007CO -0.05 0.00 0.05 1.56 -0.69 0.00 0.00 178.15 179.03 3hox h GLN 1008N -0.62 0.05 -0.73 2.37 1.08 -1.21 1.02 115.11 117.07 3hox h GLN 1008Ca -0.01 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 3hox h GLN 1008Cb 0.60 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.98 3hox h GLN 1008CO -0.19 0.03 0.37 -0.91 -0.95 0.00 0.00 178.83 177.18 3hox h ASN 1009N 0.05 0.93 -0.28 1.46 2.35 -0.01 -1.31 115.58 118.76 3hox h ASN 1009Ca 0.56 -0.09 -0.04 0.00 -0.55 0.00 0.00 56.30 56.18 3hox h ASN 1009Cb 1.13 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.25 3hox h ASN 1009CO -0.84 0.77 0.03 0.00 -1.65 0.00 0.00 177.43 175.74 3hox h ALA 1010N 1.38 0.38 -0.41 -0.83 0.00 0.21 -2.30 119.26 117.69 3hox h ALA 1010Ca 0.26 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 55.04 3hox h ALA 1010Cb 0.07 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 3hox h ALA 1010CO -0.04 0.08 -0.03 0.37 0.00 0.00 0.00 179.25 179.64 3hox h GLN 1011N 0.29 0.07 -0.59 0.00 5.75 -0.68 0.42 115.11 120.38 3hox h GLN 1011Ca 0.08 -0.00 0.12 0.00 -0.15 0.00 0.00 58.65 58.70 3hox h GLN 1011Cb 0.36 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.86 3hox h GLN 1011CO 0.01 0.05 0.40 -0.09 -2.65 0.00 0.00 178.83 176.55 3hox h ARG 1012N 0.08 0.25 0.07 1.69 2.43 -1.00 -1.38 114.38 116.52 3hox h ARG 1012Ca 0.20 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3hox h ARG 1012Cb 0.29 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3hox h ARG 1012CO -0.36 0.17 -0.03 -0.44 -1.51 0.00 0.00 179.97 177.79 3hox h ASP 1013N 0.26 -0.08 0.00 -3.80 3.32 -0.16 -2.94 116.42 113.01 3hox h ASP 1013Ca 0.28 -0.53 0.00 0.00 0.02 0.00 0.00 57.03 56.80 3hox h ASP 1013Cb 0.75 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.32 3hox h ASP 1013CO -0.06 0.59 0.52 0.00 -1.72 0.00 0.00 179.24 178.57 3hox h ALA 1014N -0.19 1.40 0.00 3.45 0.00 0.77 -0.51 119.26 124.18 3hox h ALA 1014Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3hox h ALA 1014Cb 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3hox h ALA 1014CO 0.02 -0.40 -1.48 0.28 0.00 0.00 0.00 179.25 177.67 3hox n VAL 1015N -2.17 0.15 -0.01 0.00 0.31 -0.85 -4.82 118.33 110.93 3hox n VAL 1015Ca -0.01 -0.26 -0.00 0.00 -0.01 0.00 0.00 64.34 64.06 3hox n VAL 1015Cb 0.53 0.03 -0.00 0.00 -0.91 0.00 0.00 33.84 33.49 3hox n VAL 1015CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3hox n THR 1016N -1.95 -0.02 -0.24 2.52 -1.04 -0.20 -0.57 114.28 112.77 3hox n THR 1016Ca -0.05 0.46 -0.02 0.00 -2.04 0.00 0.00 64.05 62.40 3hox n THR 1016Cb 0.38 -0.61 0.09 0.00 -1.82 0.00 0.00 70.33 68.37 3hox n THR 1016CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3hox h LEU 1017N 0.00 0.62 0.20 -4.42 5.85 -1.88 -2.54 115.31 113.14 3hox h LEU 1017Ca 0.01 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.75 3hox h LEU 1017Cb 0.01 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 3hox h LEU 1017CO -0.03 0.41 -0.24 0.15 -0.34 0.00 0.00 178.44 178.38 3hox h PHE 1018N 0.75 -0.65 -0.71 1.25 3.57 -1.17 -2.07 116.94 117.91 3hox h PHE 1018Ca 0.29 0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.95 3hox h PHE 1018Cb 0.13 0.26 -0.11 0.00 2.79 0.00 0.00 35.95 39.02 3hox h PHE 1018CO -0.06 -0.35 0.13 0.00 -2.23 0.00 0.00 178.31 175.80 3hox h LEU 1021N -0.03 -1.10 -0.80 0.00 5.85 0.10 0.20 115.31 119.54 3hox h LEU 1021Ca 0.27 0.10 0.07 0.00 0.84 0.00 0.00 57.88 59.16 3hox h LEU 1021Cb 0.45 0.38 -0.10 0.00 0.37 0.00 0.00 40.66 41.76 3hox h LEU 1021CO -0.60 -0.47 -0.46 -0.11 -0.34 0.00 0.00 178.44 176.45 3hox n LEU 1022N -4.70 -0.83 0.16 2.25 7.94 0.13 -0.10 117.00 121.84 3hox n LEU 1022Ca -0.08 1.42 0.00 0.00 -1.11 0.00 0.00 56.01 56.25 3hox n LEU 1022Cb 0.33 -0.19 0.27 0.00 0.53 0.00 0.00 43.42 44.36 3hox n LEU 1022CO 0.17 -1.17 0.63 0.03 -1.11 0.00 0.00 177.39 175.94 3hox h ARG 1023N 0.00 0.03 -0.07 1.96 3.08 0.10 0.30 114.38 119.79 3hox h ARG 1023Ca 0.14 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 3hox h ARG 1023Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 3hox h ARG 1023CO -0.75 0.49 -0.09 1.03 -1.07 0.00 0.00 179.97 179.58 3hox h SER 1024N 0.03 0.09 0.00 7.04 0.87 0.28 -3.00 113.55 118.85 3hox h SER 1024Ca -0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 3hox h SER 1024Cb 0.84 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 3hox h SER 1024CO 0.06 0.20 -1.90 0.54 -0.53 0.00 0.00 176.83 175.20 3hox n ARG 1025N -4.38 0.61 -2.34 2.24 5.12 -0.10 -4.55 116.66 113.26 3hox n ARG 1025Ca -0.02 -0.18 -0.27 0.00 -1.93 0.00 0.00 57.85 55.45 3hox n ARG 1025Cb 0.20 -1.49 0.01 0.00 -1.16 0.00 0.00 32.46 30.01 3hox n ARG 1025CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3hox n LEU 1026N -2.18 4.98 -4.83 0.55 4.77 0.99 -4.64 117.00 116.64 3hox n LEU 1026Ca -0.03 -5.09 -0.34 0.00 -0.03 0.00 0.00 56.01 50.51 3hox n LEU 1026Cb 0.53 -0.49 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 3hox n LEU 1026CO 0.44 2.17 0.40 0.00 -1.33 0.00 0.00 177.39 179.06 3hox s ALA 1027N -3.59 3.39 0.21 -1.18 0.00 -1.16 -4.86 121.76 114.57 3hox s ALA 1027Ca 0.49 0.07 -0.20 0.00 0.00 0.00 0.00 51.96 52.32 3hox s ALA 1027Cb 0.41 -2.76 0.17 0.00 0.00 0.00 0.00 23.12 20.94 3hox s ALA 1027CO -0.16 0.35 1.56 1.15 0.00 0.00 0.00 175.76 178.66 3hox h THR 1028N 2.39 0.05 0.52 0.00 2.02 -1.91 0.60 112.91 116.57 3hox h THR 1028Ca -0.48 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.68 3hox h THR 1028Cb 1.18 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 3hox h THR 1028CO 0.65 0.00 -0.45 0.03 0.37 0.00 0.00 175.52 176.12 3hox h ARG 1029N -0.06 -0.92 -0.32 6.66 2.47 -1.84 -2.49 114.38 117.88 3hox h ARG 1029Ca 0.29 0.06 0.04 0.00 -1.26 0.00 0.00 59.98 59.11 3hox h ARG 1029Cb 0.57 0.21 -0.07 0.00 -1.65 0.00 0.00 29.97 29.03 3hox h ARG 1029CO -0.88 -0.61 -0.46 0.00 0.56 0.00 0.00 179.97 178.57 3hox h ARG 1030N -0.95 -0.33 -0.91 0.04 3.08 -1.62 0.49 114.38 114.18 3hox h ARG 1030Ca -0.07 0.02 0.15 0.00 0.07 0.00 0.00 59.98 60.16 3hox h ARG 1030Cb 0.81 0.08 -0.16 0.00 0.08 0.00 0.00 29.97 30.78 3hox h ARG 1030CO -0.02 -0.22 -0.35 0.28 -1.07 0.00 0.00 179.97 178.59 3hox h VAL 1031N -0.35 0.05 0.04 2.04 2.07 -0.85 0.78 116.25 120.02 3hox h VAL 1031Ca 0.06 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.52 3hox h VAL 1031Cb 0.50 0.05 0.01 0.00 -1.52 0.00 0.00 31.29 30.32 3hox h VAL 1031CO -0.49 0.00 -0.24 -0.07 0.02 0.00 0.00 177.57 176.80 3hox h LEU 1032N -0.03 0.14 0.03 2.57 3.38 -0.93 -1.38 115.31 119.09 3hox h LEU 1032Ca 0.34 -0.99 -0.26 0.00 0.09 0.00 0.00 57.88 57.07 3hox h LEU 1032Cb 0.60 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 3hox h LEU 1032CO -0.93 1.11 -1.32 -0.61 0.09 0.00 0.00 178.44 176.79 3hox h GLN 1033N -0.82 0.07 0.00 1.13 4.15 0.15 -3.19 115.11 116.60 3hox h GLN 1033Ca -0.04 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.26 3hox h GLN 1033Cb 1.19 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.92 3hox h GLN 1033CO 0.04 0.90 0.00 0.39 -1.93 0.00 0.00 178.83 178.23 3hox n GLU 1034N -3.30 0.00 0.02 1.69 1.02 0.26 -4.54 120.64 115.79 3hox n GLU 1034Ca -0.09 0.13 0.07 0.00 -0.02 0.00 0.00 57.16 57.25 3hox n GLU 1034Cb 1.00 -0.51 0.48 0.00 -0.02 0.00 0.00 31.44 32.39 3hox n GLU 1034CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 3hox h TYR 1035N 0.00 0.41 -1.51 -0.32 0.99 -1.41 -3.46 116.97 111.67 3hox h TYR 1035Ca 0.00 0.01 -0.29 0.00 2.00 0.00 0.00 58.73 60.45 3hox h TYR 1035Cb 0.00 -0.14 -0.06 0.00 1.00 0.00 0.00 36.73 37.54 3hox h TYR 1035CO 0.00 0.24 -0.33 0.54 -0.00 0.00 0.00 178.16 178.61 3hox n ARG 1036N -4.48 -1.09 -0.65 4.88 5.12 -0.55 -4.96 116.66 114.92 3hox n ARG 1036Ca 0.04 0.82 -0.31 0.00 -1.93 0.00 0.00 57.85 56.47 3hox n ARG 1036Cb 0.15 -5.05 0.18 0.00 -1.16 0.00 0.00 32.46 26.58 3hox n ARG 1036CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3hox n LEU 1037N -1.90 0.57 0.00 0.55 7.99 -1.06 -4.86 117.00 118.29 3hox n LEU 1037Ca -0.16 0.18 0.00 0.00 -0.01 0.00 0.00 56.01 56.02 3hox n LEU 1037Cb 0.57 -1.29 0.00 0.00 -0.11 0.00 0.00 43.42 42.59 3hox n LEU 1037CO 0.21 -2.92 0.00 0.35 -1.51 0.00 0.00 177.39 173.52 3hox n THR 1038N -4.31 0.00 0.07 -5.08 -2.24 -1.26 -4.68 114.28 96.78 3hox n THR 1038Ca 0.07 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.75 3hox n THR 1038Cb 0.54 -0.24 -0.13 0.00 -2.10 0.00 0.00 70.33 68.40 3hox n THR 1038CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3hox h LYS 1039N 0.00 0.10 0.18 -0.78 1.63 -1.96 -2.40 116.57 113.34 3hox h LYS 1039Ca 0.00 -0.18 -0.01 0.00 -0.85 0.00 0.00 60.65 59.62 3hox h LYS 1039Cb 0.00 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.70 3hox h LYS 1039CO 0.00 1.07 -0.09 0.37 -3.45 0.00 0.00 179.45 177.35 3hox h GLN 1040N 0.03 -0.24 -0.75 1.90 4.15 -1.95 -2.52 115.11 115.73 3hox h GLN 1040Ca -0.07 0.02 0.13 0.00 0.77 0.00 0.00 58.65 59.49 3hox h GLN 1040Cb 1.85 0.05 -0.13 0.00 0.21 0.00 0.00 27.48 29.47 3hox h GLN 1040CO 0.16 -0.16 -0.27 0.00 -1.93 0.00 0.00 178.83 176.63 3hox n ALA 1041N -2.30 -0.02 0.17 3.38 0.00 -1.25 -0.57 120.51 119.91 3hox n ALA 1041Ca -0.03 0.77 -0.14 0.00 0.00 0.00 0.00 53.44 54.04 3hox n ALA 1041Cb 0.10 -0.38 -0.07 0.00 0.00 0.00 0.00 19.45 19.10 3hox n ALA 1041CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3hox h PHE 1042N 0.00 -0.67 -0.61 0.00 3.57 -1.49 -1.06 116.94 116.68 3hox h PHE 1042Ca 0.29 0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.97 3hox h PHE 1042Cb 0.48 0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.46 3hox h PHE 1042CO -0.64 -0.37 0.47 -0.44 -2.23 0.00 0.00 178.31 175.11 3hox h ASP 1043N -0.53 0.00 0.20 0.41 3.32 -0.37 0.11 116.42 119.55 3hox h ASP 1043Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3hox h ASP 1043Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 3hox h ASP 1043CO -0.06 0.00 -0.09 -0.25 -1.72 0.00 0.00 179.24 177.11 3hox h TRP 1044N 0.00 -0.25 -0.93 4.55 7.01 -0.71 -1.46 115.95 124.17 3hox h TRP 1044Ca 0.29 -0.01 0.13 0.00 2.11 0.00 0.00 58.89 61.41 3hox h TRP 1044Cb 1.23 0.08 -0.14 0.00 -2.10 0.00 0.00 29.16 28.23 3hox h TRP 1044CO 0.00 -0.15 -0.44 0.28 -2.79 0.00 0.00 178.44 175.34 3hox h VAL 1045N -0.81 0.02 -0.11 2.65 2.07 -0.54 0.49 116.25 120.01 3hox h VAL 1045Ca -0.03 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.54 3hox h VAL 1045Cb 0.20 0.02 -0.06 0.00 -1.52 0.00 0.00 31.29 29.93 3hox h VAL 1045CO 0.04 0.00 -0.32 -0.07 0.02 0.00 0.00 177.57 177.24 3hox h LEU 1046N -0.04 -0.99 -0.63 2.57 3.38 -0.90 -1.94 115.31 116.75 3hox h LEU 1046Ca 0.28 0.14 0.13 0.00 0.09 0.00 0.00 57.88 58.51 3hox h LEU 1046Cb 0.55 0.42 -0.12 0.00 0.09 0.00 0.00 40.66 41.60 3hox h LEU 1046CO -0.93 -0.36 -0.17 -1.28 0.09 0.00 0.00 178.44 175.80 3hox h SER 1047N -0.41 -0.61 0.70 -0.43 0.87 0.10 -2.53 113.55 111.24 3hox h SER 1047Ca 0.09 0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.81 3hox h SER 1047Cb 0.55 0.40 0.01 0.00 -0.44 0.00 0.00 62.40 62.91 3hox h SER 1047CO -0.34 -0.21 -0.34 0.78 -0.53 0.00 0.00 176.83 176.19 3hox h ASN 1048N -0.01 -0.80 -0.64 6.23 -0.26 -0.92 -2.58 115.58 116.60 3hox h ASN 1048Ca 0.30 0.03 0.12 0.00 -0.56 0.00 0.00 56.30 56.19 3hox h ASN 1048Cb 0.47 0.21 -0.12 0.00 -1.06 0.00 0.00 38.32 37.82 3hox h ASN 1048CO -0.65 -0.51 -0.18 -0.38 -1.06 0.00 0.00 177.43 174.65 3hox n ILE 1049N -4.87 -0.28 0.16 2.81 5.41 -0.76 0.12 119.36 121.95 3hox n ILE 1049Ca -0.12 1.47 -0.14 0.00 1.00 0.00 0.00 62.75 64.97 3hox n ILE 1049Cb 0.37 -2.01 -0.06 0.00 -0.71 0.00 0.00 39.64 37.22 3hox n ILE 1049CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 3hox h GLU 1050N 0.00 -0.53 -0.35 0.38 4.81 -1.30 0.31 114.58 117.91 3hox h GLU 1050Ca 0.29 0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.46 3hox h GLU 1050Cb 0.45 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 3hox h GLU 1050CO -0.65 -0.35 -0.15 0.00 -0.73 0.00 0.00 179.01 177.12 3hox h ALA 1051N 0.10 0.48 -0.94 2.92 0.00 0.14 -0.37 119.26 121.59 3hox h ALA 1051Ca 0.01 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.61 3hox h ALA 1051Cb 0.53 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 3hox h ALA 1051CO -0.10 0.39 0.61 1.96 0.00 0.00 0.00 179.25 182.11 3hox h GLN 1052N 0.49 1.17 0.79 0.00 4.20 0.48 -0.80 115.11 121.44 3hox h GLN 1052Ca 0.08 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 3hox h GLN 1052Cb 0.68 -0.26 0.01 0.00 0.30 0.00 0.00 27.48 28.21 3hox h GLN 1052CO 0.05 0.78 -0.38 0.35 -0.67 0.00 0.00 178.83 178.95 3hox h PHE 1053N 1.21 -0.98 -0.73 2.96 3.57 -0.06 -2.36 116.94 120.55 3hox h PHE 1053Ca 0.36 -0.02 0.21 0.00 3.53 0.00 0.00 57.97 62.05 3hox h PHE 1053Cb -0.04 0.33 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 3hox h PHE 1053CO -0.01 -0.61 0.86 -0.07 -2.23 0.00 0.00 178.31 176.25 3hox h LEU 1054N -1.10 0.00 -0.16 0.59 3.38 -0.72 0.55 115.31 117.84 3hox h LEU 1054Ca -0.11 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.65 3hox h LEU 1054Cb 0.81 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 3hox h LEU 1054CO 0.18 0.00 -0.97 0.03 0.09 0.00 0.00 178.44 177.77 3hox h ARG 1055N 0.00 0.21 0.00 1.13 3.08 -0.64 -3.29 114.38 114.87 3hox h ARG 1055Ca 0.35 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 3hox h ARG 1055Cb 2.06 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 32.19 3hox h ARG 1055CO -0.00 1.02 -0.11 0.77 -1.07 0.00 0.00 179.97 180.58 3hox h SER 1056N 0.10 0.00 -3.22 7.04 0.02 0.48 -3.46 113.55 114.51 3hox h SER 1056Ca -0.06 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.32 3hox h SER 1056Cb 1.63 0.00 0.18 0.00 0.14 0.00 0.00 62.40 64.35 3hox h SER 1056CO 0.15 0.11 -0.26 0.52 -1.14 0.00 0.00 176.83 176.21 3hox n VAL 1057N -3.19 2.48 -2.55 2.27 0.31 -1.16 -0.34 118.33 116.14 3hox n VAL 1057Ca 0.01 -0.46 -0.36 0.00 -0.01 0.00 0.00 64.34 63.52 3hox n VAL 1057Cb 0.43 -0.82 -0.04 0.00 -0.91 0.00 0.00 33.84 32.50 3hox n VAL 1057CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3hox s VAL 1058N -1.74 3.74 -0.24 2.52 1.01 0.92 -4.28 120.40 122.33 3hox s VAL 1058Ca 0.70 1.31 -0.18 0.00 0.00 0.00 0.00 61.98 63.81 3hox s VAL 1058Cb -0.40 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 3hox s VAL 1058CO 0.53 -0.01 0.50 -1.00 0.00 0.00 0.00 175.10 175.12 3hox s HIS 1059N -1.69 3.30 0.04 5.22 3.76 -1.26 -4.95 115.29 119.71 3hox s HIS 1059Ca 0.58 0.66 -0.30 0.00 -0.15 0.00 0.00 55.06 55.85 3hox s HIS 1059Cb -0.21 -2.69 -0.08 0.00 1.11 0.00 0.00 32.58 30.71 3hox s HIS 1059CO 0.27 -0.21 1.88 -2.14 -0.85 0.00 0.00 174.74 173.68 3hox s PRO 1060N 2.05 4.15 0.00 8.40 0.02 -1.26 -1.66 135.00 146.70 3hox s PRO 1060Ca 0.21 2.52 0.00 0.00 0.02 0.00 0.00 61.00 63.76 3hox s PRO 1060Cb -0.15 -4.02 0.00 0.00 0.02 0.00 0.00 34.50 30.35 3hox s PRO 1060CO 0.09 -0.91 0.00 0.41 -0.33 0.00 0.00 177.00 176.26 3hox n GLY 1061N 4.40 4.11 2.60 0.52 0.00 -0.91 -4.90 105.19 111.02 3hox n GLY 1061Ca 0.19 -0.65 -0.45 0.00 0.00 0.00 0.00 46.02 45.10 3hox n GLY 1061CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hox n GLU 1062N 0.00 0.00 -0.99 1.61 -0.58 -0.67 -3.04 120.64 116.97 3hox n GLU 1062Ca 0.00 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.60 3hox n GLU 1062Cb 0.00 -1.08 -0.05 0.00 -0.57 0.00 0.00 31.44 29.74 3hox n GLU 1062CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 3hox n MET 1063N 1.84 1.84 -0.12 3.49 2.81 -1.26 -2.58 117.12 123.14 3hox n MET 1063Ca 0.18 -1.28 0.12 0.00 -1.81 0.00 0.00 57.70 54.91 3hox n MET 1063Cb 0.02 -1.73 0.22 0.00 -0.71 0.00 0.00 33.22 31.01 3hox n MET 1063CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3hox n VAL 1064N 1.33 -0.16 0.07 2.03 0.31 -1.23 -2.13 118.33 118.55 3hox n VAL 1064Ca 0.32 0.79 -0.03 0.00 -0.01 0.00 0.00 64.34 65.40 3hox n VAL 1064Cb 0.65 -1.27 -0.02 0.00 -0.91 0.00 0.00 33.84 32.30 3hox n VAL 1064CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3hox h GLY 1065N 0.00 -0.50 0.02 2.92 0.00 -1.31 0.91 103.07 105.11 3hox h GLY 1065Ca 0.32 0.21 0.23 0.00 0.00 0.00 0.00 47.33 48.09 3hox h GLY 1065CO -0.30 -0.18 0.64 -2.08 0.00 0.00 0.00 176.54 174.61 3hox h VAL 1066N -0.20 0.60 0.70 4.60 2.07 -1.54 0.36 116.25 122.84 3hox h VAL 1066Ca -0.02 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 3hox h VAL 1066Cb 0.16 0.07 0.01 0.00 -1.52 0.00 0.00 31.29 30.01 3hox h VAL 1066CO 0.02 0.09 -0.34 0.25 0.02 0.00 0.00 177.57 177.61 3hox h LEU 1067N 0.49 -0.79 -0.97 2.57 5.85 -1.36 -1.88 115.31 119.22 3hox h LEU 1067Ca 0.57 0.03 0.32 0.00 0.84 0.00 0.00 57.88 59.64 3hox h LEU 1067Cb 1.28 0.21 -0.17 0.00 0.37 0.00 0.00 40.66 42.35 3hox h LEU 1067CO -0.30 -0.41 0.34 0.00 -0.34 0.00 0.00 178.44 177.73 3hox h ALA 1068N -1.25 1.67 0.60 1.25 0.00 0.22 -0.93 119.26 120.83 3hox h ALA 1068Ca -0.10 0.27 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3hox h ALA 1068Cb 0.72 0.38 0.01 0.00 0.00 0.00 0.00 17.79 18.89 3hox h ALA 1068CO 0.16 -0.69 -0.29 0.00 0.00 0.00 0.00 179.25 178.43 3hox h ALA 1069N 1.93 -0.81 -0.89 0.00 0.00 -0.81 -3.12 119.26 115.55 3hox h ALA 1069Ca 0.70 -0.20 0.20 0.00 0.00 0.00 0.00 54.91 55.61 3hox h ALA 1069Cb 1.64 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 19.68 3hox h ALA 1069CO -0.77 -0.80 0.59 1.96 0.00 0.00 0.00 179.25 180.24 3hox h GLN 1070N -1.13 0.41 -0.03 0.00 4.20 -0.50 0.34 115.11 118.40 3hox h GLN 1070Ca -0.08 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.55 3hox h GLN 1070Cb 0.66 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 3hox h GLN 1070CO 0.14 0.27 -0.24 0.77 -0.67 0.00 0.00 178.83 179.10 3hox h SER 1071N 0.42 0.05 0.04 1.46 0.02 -1.19 -0.80 113.55 113.56 3hox h SER 1071Ca 0.46 -0.01 -0.29 0.00 -0.84 0.00 0.00 61.79 61.11 3hox h SER 1071Cb 1.12 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.62 3hox h SER 1071CO -0.18 0.29 -1.58 -0.38 -1.14 0.00 0.00 176.83 173.84 3hox n ILE 1072N -4.24 1.61 0.14 3.27 5.41 0.04 -4.31 119.36 121.27 3hox n ILE 1072Ca -0.02 -0.24 -0.14 0.00 1.00 0.00 0.00 62.75 63.36 3hox n ILE 1072Cb 0.30 -1.93 -0.07 0.00 -0.71 0.00 0.00 39.64 37.23 3hox n ILE 1072CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3hox h GLY 1073N -0.35 -0.32 0.34 7.39 0.00 -0.42 -3.13 103.07 106.58 3hox h GLY 1073Ca -0.40 0.14 0.06 0.00 0.00 0.00 0.00 47.33 47.12 3hox h GLY 1073CO -0.14 -0.13 -0.15 -2.09 0.00 0.00 0.00 176.54 174.03 3hox h GLU 1074N -0.32 -0.13 0.00 4.80 4.22 -1.37 0.15 114.58 121.94 3hox h GLU 1074Ca -0.02 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.43 3hox h GLU 1074Cb 0.27 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3hox h GLU 1074CO 0.02 -0.09 0.00 -0.35 -2.18 0.00 0.00 179.01 176.41 3hox n PRO 1075N -5.31 0.48 0.05 0.92 -0.04 -1.23 -0.68 135.00 129.19 3hox n PRO 1075Ca -0.01 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.48 3hox n PRO 1075Cb 0.23 -1.35 -0.07 0.00 -0.04 0.00 0.00 33.50 32.27 3hox n PRO 1075CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hox n ALA 1076N -0.85 2.13 1.31 0.55 0.00 0.03 -3.59 120.51 120.08 3hox n ALA 1076Ca 0.08 -0.47 0.14 0.00 0.00 0.00 0.00 53.44 53.19 3hox n ALA 1076Cb 0.04 -0.97 0.60 0.00 0.00 0.00 0.00 19.45 19.12 3hox n ALA 1076CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3hox n THR 1077N -2.80 0.00 -0.63 0.00 -1.04 0.14 -3.35 114.28 106.60 3hox n THR 1077Ca -0.07 -0.04 0.08 0.00 -2.04 0.00 0.00 64.05 61.98 3hox n THR 1077Cb 0.75 -0.18 0.27 0.00 -1.82 0.00 0.00 70.33 69.35 3hox n THR 1077CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hox n GLN 1078N -1.14 3.31 -2.88 -2.82 1.13 -1.22 -4.89 117.38 108.86 3hox n GLN 1078Ca 0.12 -2.66 -0.44 0.00 -1.94 0.00 0.00 57.00 52.09 3hox n GLN 1078Cb 0.29 -1.73 -0.02 0.00 0.11 0.00 0.00 30.24 28.89 3hox n GLN 1078CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 3hox s MET 1079N -1.97 3.63 -1.18 -1.09 -1.94 -1.21 -4.95 119.30 110.59 3hox s MET 1079Ca 0.41 -1.73 -0.21 0.00 -1.71 0.00 0.00 55.69 52.44 3hox s MET 1079Cb 0.28 -4.98 -0.06 0.00 2.01 0.00 0.00 34.83 32.08 3hox s MET 1079CO 0.17 -1.83 1.90 2.41 -0.01 0.00 0.00 175.02 177.66 3hox n THR 1080N 5.62 2.35 -2.95 2.05 -1.04 -1.26 -4.89 114.28 114.15 3hox n THR 1080Ca 0.26 -2.40 -0.28 0.00 -2.04 0.00 0.00 64.05 59.59 3hox n THR 1080Cb 0.49 -2.23 -0.02 0.00 -1.82 0.00 0.00 70.33 66.75 3hox n THR 1080CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3hox s LEU 1081N 8.53 3.83 -1.32 -4.42 1.43 -1.26 -5.17 118.68 120.30 3hox s LEU 1081Ca 0.64 0.89 -0.19 0.00 -1.03 0.00 0.00 54.13 54.45 3hox s LEU 1081Cb 0.02 -3.78 0.02 0.00 0.03 0.00 0.00 46.19 42.48 3hox s LEU 1081CO 0.12 -0.40 0.48 0.29 0.23 0.00 0.00 176.35 177.07 3hox n LYS 1092N -1.58 -1.01 -2.13 1.70 5.02 -1.26 -5.02 118.16 113.88 3hox n LYS 1092Ca 0.00 0.18 -0.23 0.00 -2.02 0.00 0.00 58.31 56.24 3hox n LYS 1092Cb 0.55 -3.33 0.02 0.00 -0.02 0.00 0.00 35.03 32.24 3hox n LYS 1092CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3hox n LYS 1093N -4.71 3.50 -3.88 1.97 4.76 -1.26 -5.05 118.16 113.49 3hox n LYS 1093Ca -0.20 -4.19 -0.35 0.00 -2.87 0.00 0.00 58.31 50.71 3hox n LYS 1093Cb 0.62 -2.24 -0.05 0.00 -1.84 0.00 0.00 35.03 31.52 3hox n LYS 1093CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3hox s VAL 1094N -4.70 5.44 -0.35 -0.18 1.01 -1.26 -4.95 120.40 115.41 3hox s VAL 1094Ca 0.49 -0.01 -0.29 0.00 0.00 0.00 0.00 61.98 62.17 3hox s VAL 1094Cb 0.41 -3.51 -0.08 0.00 0.00 0.00 0.00 36.38 33.20 3hox s VAL 1094CO 0.00 0.41 2.29 0.35 0.00 0.00 0.00 175.10 178.16 3hox n THR 1095N 1.26 0.18 -4.46 3.92 -2.24 -1.26 -4.93 114.28 106.74 3hox n THR 1095Ca -0.13 -0.50 -0.22 0.00 -2.27 0.00 0.00 64.05 60.93 3hox n THR 1095Cb 0.53 -2.36 -0.10 0.00 -2.10 0.00 0.00 70.33 66.30 3hox n THR 1095CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3hox s SER 1096N 9.24 2.44 0.00 3.42 1.04 -1.26 -4.61 113.70 123.97 3hox s SER 1096Ca 1.04 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 56.07 3hox s SER 1096Cb -0.44 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 65.62 3hox s SER 1096CO 0.36 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.57 3hox n GLY 1097N -0.71 -1.59 0.39 7.32 0.00 -1.26 -4.19 105.19 105.15 3hox n GLY 1097Ca -0.03 -1.35 -0.09 0.00 0.00 0.00 0.00 46.02 44.55 3hox n GLY 1097CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hox n VAL 1098N 0.00 -0.62 -0.30 1.61 0.31 -1.26 -0.08 118.33 117.99 3hox n VAL 1098Ca 0.00 2.26 0.12 0.00 -0.01 0.00 0.00 64.34 66.71 3hox n VAL 1098Cb 0.00 -2.83 0.35 0.00 -0.91 0.00 0.00 33.84 30.45 3hox n VAL 1098CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3hox h PRO 1099N 0.00 0.73 -0.10 5.55 0.13 -1.98 0.06 132.00 136.39 3hox h PRO 1099Ca 0.18 -0.04 -0.14 0.00 -0.87 0.00 0.00 66.00 65.13 3hox h PRO 1099Cb 0.41 -0.17 0.01 0.00 0.13 0.00 0.00 31.00 31.39 3hox h PRO 1099CO -0.89 0.48 -0.48 -0.09 -0.23 0.00 0.00 178.00 176.80 3hox h ARG 1100N 0.75 0.50 -0.75 0.86 9.65 -0.87 -0.67 114.38 123.85 3hox h ARG 1100Ca 0.48 -0.40 0.07 0.00 -1.10 0.00 0.00 59.98 59.03 3hox h ARG 1100Cb 0.73 0.08 -0.06 0.00 -1.39 0.00 0.00 29.97 29.33 3hox h ARG 1100CO -0.25 1.03 0.44 1.25 2.80 0.00 0.00 179.97 185.25 3hox h LEU 1101N 0.09 0.66 -0.41 3.80 5.85 0.15 0.40 115.31 125.85 3hox h LEU 1101Ca -0.03 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.78 3hox h LEU 1101Cb 1.12 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.99 3hox h LEU 1101CO 0.10 0.42 0.11 0.50 -0.34 0.00 0.00 178.44 179.22 3hox h LYS 1102N 0.79 0.24 0.04 1.25 3.64 -0.92 -1.71 116.57 119.90 3hox h LYS 1102Ca 0.34 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.72 3hox h LYS 1102Cb 0.21 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.93 3hox h LYS 1102CO -0.19 0.16 -0.48 1.49 -2.27 0.00 0.00 179.45 178.16 3hox h GLU 1103N 0.25 -0.60 0.15 1.90 4.81 0.12 -2.99 114.58 118.22 3hox h GLU 1103Ca 0.20 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 3hox h GLU 1103Cb 0.22 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 3hox h GLU 1103CO -0.24 -0.40 -0.38 0.82 -0.73 0.00 0.00 179.01 178.08 3hox h ILE 1104N -0.63 0.00 0.00 2.32 2.04 0.36 -1.40 117.51 120.20 3hox h ILE 1104Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3hox h ILE 1104Cb 0.66 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 3hox h ILE 1104CO -0.30 0.00 0.43 -0.07 0.00 0.00 0.00 178.15 178.21 3hox h LEU 1105N -0.59 0.00 0.00 1.44 4.07 -1.42 0.66 115.31 119.47 3hox h LEU 1105Ca -0.01 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.91 3hox h LEU 1105Cb 0.57 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.30 3hox h LEU 1105CO -0.17 0.00 -0.45 0.78 -1.08 0.00 0.00 178.44 177.53 3hox h ASN 1106N 0.00 0.00 -6.00 -0.43 2.35 -1.10 -1.48 115.58 108.91 3hox h ASN 1106Ca 0.00 0.00 -0.42 0.00 -0.55 0.00 0.00 56.30 55.33 3hox h ASN 1106Cb 0.86 0.00 0.08 0.00 0.05 0.00 0.00 38.32 39.31 3hox h ASN 1106CO 0.00 0.13 -0.72 0.52 -1.65 0.00 0.00 177.43 175.71 3hox n VAL 1107N -3.00 -2.93 -1.79 2.81 0.31 0.23 -4.86 118.33 109.09 3hox n VAL 1107Ca 0.02 -0.06 -0.34 0.00 -0.01 0.00 0.00 64.34 63.95 3hox n VAL 1107Cb 0.60 -3.66 0.05 0.00 -0.91 0.00 0.00 33.84 29.91 3hox n VAL 1107CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hox s ALA 1108N -3.33 2.45 -0.04 3.52 0.00 -1.23 -5.01 121.76 118.11 3hox s ALA 1108Ca 0.55 0.66 -0.02 0.00 0.00 0.00 0.00 51.96 53.15 3hox s ALA 1108Cb -0.26 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.50 3hox s ALA 1108CO 0.77 -1.29 -0.04 -0.22 0.00 0.00 0.00 175.76 174.98 3hox h LYS 1109N 0.18 0.00 -4.01 0.00 1.63 -1.95 -3.41 116.57 109.02 3hox h LYS 1109Ca -0.48 0.00 -0.51 0.00 -0.85 0.00 0.00 60.65 58.81 3hox h LYS 1109Cb 1.26 0.00 0.03 0.00 -0.60 0.00 0.00 32.23 32.92 3hox h LYS 1109CO 0.54 0.00 2.39 0.09 -3.45 0.00 0.00 179.45 179.01 3hox n ASN 1110N -2.95 3.47 -4.75 4.20 5.03 -1.26 -4.92 115.26 114.07 3hox n ASN 1110Ca -0.02 -2.50 -0.41 0.00 0.87 0.00 0.00 54.58 52.53 3hox n ASN 1110Cb 0.06 -1.08 0.01 0.00 -1.02 0.00 0.00 39.78 37.75 3hox n ASN 1110CO 0.00 0.00 0.00 1.15 -1.83 0.00 0.00 177.26 176.58 3hox n MET 1111N 5.73 2.35 0.00 3.52 0.00 -1.26 -4.94 117.12 122.51 3hox n MET 1111Ca 0.46 0.83 0.00 0.00 0.00 0.00 0.00 57.70 58.99 3hox n MET 1111Cb 0.27 -2.59 0.00 0.00 0.00 0.00 0.00 33.22 30.90 3hox n MET 1111CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 3hox n LYS 1112N 0.11 0.00 -3.23 3.17 5.02 -1.26 -4.18 118.16 117.80 3hox n LYS 1112Ca 0.04 0.50 -0.46 0.00 -2.02 0.00 0.00 58.31 56.38 3hox n LYS 1112Cb 0.40 -1.41 -0.01 0.00 -0.02 0.00 0.00 35.03 33.98 3hox n LYS 1112CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3hox s THR 1113N -2.65 5.50 -0.92 -0.18 2.01 -1.26 -4.99 115.64 113.15 3hox s THR 1113Ca 0.00 -2.55 -0.14 0.00 0.31 0.00 0.00 61.69 59.31 3hox s THR 1113Cb 0.00 -4.59 0.21 0.00 0.01 0.00 0.00 72.50 68.12 3hox s THR 1113CO 0.00 -1.20 0.94 -2.16 -0.69 0.00 0.00 174.62 171.51 3hox s PRO 1114N 0.41 3.73 0.32 4.92 0.04 -1.26 -4.64 135.00 138.51 3hox s PRO 1114Ca 0.26 -2.44 -0.04 0.00 0.04 0.00 0.00 61.00 58.82 3hox s PRO 1114Cb -0.08 -4.59 0.07 0.00 0.04 0.00 0.00 34.50 29.93 3hox s PRO 1114CO -0.08 -1.42 0.44 0.45 0.04 0.00 0.00 177.00 176.43 3hox n SER 1115N 4.43 0.15 -3.15 6.66 2.88 -1.26 -2.90 113.62 120.43 3hox n SER 1115Ca 0.19 -1.23 0.05 0.00 -1.33 0.00 0.00 58.87 56.55 3hox n SER 1115Cb 0.46 -0.32 -0.01 0.00 -0.75 0.00 0.00 64.21 63.59 3hox n SER 1115CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 3hox s LEU 1116N 0.00 -0.80 -0.24 2.46 2.96 -1.26 -3.64 118.68 118.15 3hox s LEU 1116Ca 0.26 0.23 -0.26 0.00 -0.22 0.00 0.00 54.13 54.13 3hox s LEU 1116Cb -0.01 1.56 0.00 0.00 0.50 0.00 0.00 46.19 48.24 3hox s LEU 1116CO 0.18 -0.15 0.92 -0.89 -1.32 0.00 0.00 176.35 175.09 3hox s THR 1117N 2.92 4.76 -0.11 3.68 2.01 0.15 -1.56 115.64 127.49 3hox s THR 1117Ca 0.16 1.74 -0.00 0.00 0.31 0.00 0.00 61.69 63.89 3hox s THR 1117Cb -0.07 -4.21 -0.02 0.00 0.01 0.00 0.00 72.50 68.21 3hox s THR 1117CO -0.20 -0.15 -0.09 0.68 -0.69 0.00 0.00 174.62 174.17 3hox s VAL 1118N 3.03 3.44 -0.07 3.82 -7.23 0.32 -0.77 120.40 122.94 3hox s VAL 1118Ca 0.39 -0.54 -0.03 0.00 -1.81 0.00 0.00 61.98 59.99 3hox s VAL 1118Cb -0.15 -2.44 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 3hox s VAL 1118CO 0.07 0.54 0.07 -0.31 -0.31 0.00 0.00 175.10 175.17 3hox s TYR 1119N -0.06 3.34 0.00 2.82 1.51 -1.26 -1.41 117.35 122.29 3hox s TYR 1119Ca -0.01 0.30 0.00 0.00 -1.01 0.00 0.00 57.07 56.35 3hox s TYR 1119Cb -0.14 -1.82 0.00 0.00 -0.11 0.00 0.00 41.96 39.90 3hox s TYR 1119CO 0.03 0.58 0.00 1.47 -1.11 0.00 0.00 175.55 176.52 3hox n LEU 1120N 1.74 0.00 -4.80 -1.29 -0.00 -1.26 -0.65 117.00 110.73 3hox n LEU 1120Ca -0.17 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 55.51 3hox n LEU 1120Cb 0.54 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.89 3hox n LEU 1120CO 0.33 -0.56 -0.24 -0.70 -0.00 0.00 0.00 177.39 176.22 3hox s GLU 1121N -0.15 3.11 0.00 1.47 2.12 -0.21 0.48 118.70 125.52 3hox s GLU 1121Ca 0.00 -0.47 0.00 0.00 0.36 0.00 0.00 54.97 54.86 3hox s GLU 1121Cb 0.00 -2.89 0.00 0.00 0.26 0.00 0.00 34.13 31.50 3hox s GLU 1121CO 0.00 0.65 0.00 -2.30 -0.54 0.00 0.00 175.26 173.07 3hox n PRO 1122N 1.14 0.00 0.00 4.30 -0.02 -1.26 -2.90 135.00 136.27 3hox n PRO 1122Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 3hox n PRO 1122Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 3hox n PRO 1122CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hox n GLY 1123N -0.41 -3.03 3.31 -1.23 0.00 -1.26 -4.31 105.19 98.26 3hox n GLY 1123Ca 0.00 0.17 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 3hox n GLY 1123CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3hox n HIS 1124N -0.93 0.40 -0.02 1.61 -0.00 -1.14 -4.65 115.22 110.49 3hox n HIS 1124Ca 0.00 -0.12 -0.02 0.00 -0.00 0.00 0.00 57.72 57.59 3hox n HIS 1124Cb 0.00 -1.47 -0.01 0.00 -0.00 0.00 0.00 29.99 28.52 3hox n HIS 1124CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3hox n ALA 1125N 11.85 0.15 1.28 1.59 0.00 -1.26 -4.35 120.51 129.77 3hox n ALA 1125Ca 0.23 -0.26 0.01 0.00 0.00 0.00 0.00 53.44 53.41 3hox n ALA 1125Cb 0.46 0.01 0.04 0.00 0.00 0.00 0.00 19.45 19.95 3hox n ALA 1125CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hox n ALA 1126N -2.73 2.57 -1.80 0.00 0.00 -1.26 -1.95 120.51 115.33 3hox n ALA 1126Ca -0.02 -0.17 -0.27 0.00 0.00 0.00 0.00 53.44 52.98 3hox n ALA 1126Cb 0.09 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 18.46 3hox n ALA 1126CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3hox n ASP 1127N -0.10 2.53 -0.33 0.00 -0.08 -1.26 -4.77 116.55 112.53 3hox n ASP 1127Ca 0.03 -2.64 -0.01 0.00 -1.51 0.00 0.00 54.79 50.66 3hox n ASP 1127Cb 0.21 -1.63 0.04 0.00 2.34 0.00 0.00 41.12 42.07 3hox n ASP 1127CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 3hox n GLN 1128N 8.11 -0.20 0.34 -0.67 -0.06 -1.26 -1.41 117.38 122.22 3hox n GLN 1128Ca 0.45 1.34 -0.17 0.00 -2.00 0.00 0.00 57.00 56.62 3hox n GLN 1128Cb 0.46 -1.98 -0.08 0.00 -4.06 0.00 0.00 30.24 24.57 3hox n GLN 1128CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 3hox h GLU 1129N 0.00 -0.82 -1.04 3.69 4.22 -1.99 -3.00 114.58 115.64 3hox h GLU 1129Ca 0.30 0.06 0.36 0.00 0.08 0.00 0.00 59.36 60.16 3hox h GLU 1129Cb 0.52 0.19 -0.11 0.00 0.50 0.00 0.00 28.75 29.85 3hox h GLU 1129CO -0.86 -0.51 0.66 0.94 -2.18 0.00 0.00 179.01 177.06 3hox n GLN 1130N -5.41 -0.03 0.17 1.92 -0.06 -0.50 -0.51 117.38 112.96 3hox n GLN 1130Ca -0.13 0.97 -0.07 0.00 -2.00 0.00 0.00 57.00 55.78 3hox n GLN 1130Cb 0.36 -1.90 -0.03 0.00 -4.06 0.00 0.00 30.24 24.61 3hox n GLN 1130CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3hox h ALA 1131N 1.24 -1.00 -0.92 1.69 0.00 -1.35 -2.91 119.26 116.01 3hox h ALA 1131Ca 0.67 -0.09 0.29 0.00 0.00 0.00 0.00 54.91 55.78 3hox h ALA 1131Cb 2.15 0.17 -0.17 0.00 0.00 0.00 0.00 17.79 19.94 3hox h ALA 1131CO -0.37 -0.97 0.13 1.63 0.00 0.00 0.00 179.25 179.67 3hox n LYS 1132N -3.28 -0.07 0.21 0.00 5.02 0.33 -0.29 118.16 120.09 3hox n LYS 1132Ca -0.05 1.36 -0.16 0.00 -2.02 0.00 0.00 58.31 57.44 3hox n LYS 1132Cb 0.17 -2.22 -0.08 0.00 -0.02 0.00 0.00 35.03 32.88 3hox n LYS 1132CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3hox h LEU 1133N 0.00 -1.04 -1.21 -0.35 3.38 -1.46 -1.67 115.31 112.96 3hox h LEU 1133Ca 0.61 0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.62 3hox h LEU 1133Cb 1.37 0.36 -0.02 0.00 0.09 0.00 0.00 40.66 42.46 3hox h LEU 1133CO -0.83 -0.51 -0.05 0.40 0.09 0.00 0.00 178.44 177.53 3hox h ILE 1134N -0.75 1.20 0.09 1.22 2.04 -0.45 -2.47 117.51 118.40 3hox h ILE 1134Ca -0.02 -0.85 0.02 0.00 1.00 0.00 0.00 64.86 65.01 3hox h ILE 1134Cb 0.69 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 3hox h ILE 1134CO -0.09 0.28 -0.36 -0.09 0.00 0.00 0.00 178.15 177.89 3hox h ARG 1135N 0.45 -0.56 -0.46 2.37 2.43 -0.62 0.97 114.38 118.96 3hox h ARG 1135Ca 0.09 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3hox h ARG 1135Cb 0.38 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 3hox h ARG 1135CO 0.02 -0.37 0.00 0.43 -1.51 0.00 0.00 179.97 178.54 3hox n SER 1136N -5.44 0.46 -0.01 -3.80 7.64 -0.66 -0.97 113.62 110.84 3hox n SER 1136Ca -0.06 -1.50 0.01 0.00 1.01 0.00 0.00 58.87 58.33 3hox n SER 1136Cb 0.35 -0.23 -0.05 0.00 -1.01 0.00 0.00 64.21 63.27 3hox n SER 1136CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hox n ALA 1137N -0.11 2.11 -0.05 -0.43 0.00 0.26 -4.55 120.51 117.73 3hox n ALA 1137Ca 0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 53.44 53.14 3hox n ALA 1137Cb 0.12 -0.10 -0.04 0.00 0.00 0.00 0.00 19.45 19.43 3hox n ALA 1137CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3hox n ILE 1138N -1.89 0.52 -1.58 0.00 -5.35 -0.75 -3.84 119.36 106.47 3hox n ILE 1138Ca -0.04 -0.19 -0.13 0.00 -0.27 0.00 0.00 62.75 62.11 3hox n ILE 1138Cb 0.34 -0.90 -0.07 0.00 -1.74 0.00 0.00 39.64 37.27 3hox n ILE 1138CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 3hox s GLU 1139N -2.18 1.56 0.08 6.28 2.12 -0.14 0.20 118.70 126.62 3hox s GLU 1139Ca -0.12 0.40 -0.26 0.00 0.36 0.00 0.00 54.97 55.34 3hox s GLU 1139Cb 0.03 -4.80 -0.14 0.00 0.26 0.00 0.00 34.13 29.48 3hox s GLU 1139CO 0.20 -4.56 0.61 1.58 -0.54 0.00 0.00 175.26 172.55 3hox n HIS 1140N 18.79 0.03 -3.81 5.30 -0.00 -0.94 -4.25 115.22 130.34 3hox n HIS 1140Ca 0.46 0.79 -0.13 0.00 -0.00 0.00 0.00 57.72 58.84 3hox n HIS 1140Cb 0.43 -1.57 -0.14 0.00 -0.00 0.00 0.00 29.99 28.72 3hox n HIS 1140CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 3hox s THR 1141N -0.41 -0.02 0.15 3.57 2.01 -0.37 -4.90 115.64 115.68 3hox s THR 1141Ca 0.60 0.07 0.09 0.00 0.31 0.00 0.00 61.69 62.76 3hox s THR 1141Cb -0.85 -0.17 -0.04 0.00 0.01 0.00 0.00 72.50 71.45 3hox s THR 1141CO 0.44 0.03 -0.21 0.42 -0.69 0.00 0.00 174.62 174.61 3hox s THR 1142N 0.46 1.98 0.37 -0.82 -4.23 -1.26 0.98 115.64 113.11 3hox s THR 1142Ca -0.03 -1.85 0.16 0.00 -1.18 0.00 0.00 61.69 58.79 3hox s THR 1142Cb -0.05 -1.87 0.37 0.00 1.34 0.00 0.00 72.50 72.29 3hox s THR 1142CO -0.02 -0.17 1.72 0.25 -0.54 0.00 0.00 174.62 175.87 3hox h LEU 1143N 3.49 0.50 -0.71 4.79 5.85 -1.63 0.16 115.31 127.76 3hox h LEU 1143Ca -0.45 0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.43 3hox h LEU 1143Cb 1.20 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.23 3hox h LEU 1143CO 0.46 0.03 0.44 0.50 -0.34 0.00 0.00 178.44 179.53 3hox h LYS 1144N 0.41 0.82 0.00 1.25 3.64 -1.78 -2.16 116.57 118.75 3hox h LYS 1144Ca 0.66 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.99 3hox h LYS 1144Cb 1.57 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 33.20 3hox h LYS 1144CO -0.41 0.54 0.00 0.66 -2.27 0.00 0.00 179.45 177.97 3hox h SER 1145N 0.85 0.00 -0.00 4.20 4.64 -1.00 -2.83 113.55 119.40 3hox h SER 1145Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3hox h SER 1145Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3hox h SER 1145CO -0.13 0.00 -0.60 1.33 -0.87 0.00 0.00 176.83 176.57 3hox n VAL 1146N -2.92 0.00 -2.83 0.95 0.24 -0.85 -4.90 118.33 108.02 3hox n VAL 1146Ca -0.02 -0.20 -0.41 0.00 -2.04 0.00 0.00 64.34 61.67 3hox n VAL 1146Cb 0.12 1.01 -0.04 0.00 -1.47 0.00 0.00 33.84 33.47 3hox n VAL 1146CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3hox s THR 1147N -2.20 4.92 -0.17 3.34 2.01 -0.94 -0.66 115.64 121.93 3hox s THR 1147Ca 0.05 1.84 0.19 0.00 0.31 0.00 0.00 61.69 64.08 3hox s THR 1147Cb 0.10 -4.22 -0.07 0.00 0.01 0.00 0.00 72.50 68.32 3hox s THR 1147CO 0.53 0.17 0.94 0.40 -0.69 0.00 0.00 174.62 175.96 3hox h ILE 1148N 4.84 0.32 0.00 1.82 2.04 -0.30 -3.46 117.51 122.77 3hox h ILE 1148Ca -0.39 -1.62 0.00 0.00 1.00 0.00 0.00 64.86 63.84 3hox h ILE 1148Cb 1.20 1.85 0.00 0.00 -0.74 0.00 0.00 36.82 39.13 3hox h ILE 1148CO 0.76 0.18 0.00 0.00 0.00 0.00 0.00 178.15 179.10 3hox n ALA 1149N -2.31 0.00 -2.40 1.87 0.00 -1.16 -5.01 120.51 111.51 3hox n ALA 1149Ca -0.06 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.18 3hox n ALA 1149Cb 0.73 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.08 3hox n ALA 1149CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hox s SER 1150N 0.00 2.85 -0.00 0.00 1.04 -1.26 -1.14 113.70 115.19 3hox s SER 1150Ca 0.00 -1.08 -0.18 0.00 0.48 0.00 0.00 55.95 55.17 3hox s SER 1150Cb 0.00 -0.18 0.03 0.00 0.10 0.00 0.00 66.02 65.97 3hox s SER 1150CO 0.00 -0.19 0.38 -1.61 0.98 0.00 0.00 173.24 172.81 3hox s GLU 1151N -3.65 0.79 -0.21 4.02 2.02 -0.44 -4.97 118.70 116.27 3hox s GLU 1151Ca 0.26 -0.20 -0.01 0.00 0.02 0.00 0.00 54.97 55.04 3hox s GLU 1151Cb -0.00 0.36 0.01 0.00 0.10 0.00 0.00 34.13 34.59 3hox s GLU 1151CO 0.10 -0.24 -0.11 0.42 0.02 0.00 0.00 175.26 175.45 3hox s ILE 1152N -1.68 2.75 0.25 -1.63 1.01 -1.26 -0.05 121.20 120.59 3hox s ILE 1152Ca -0.11 -0.74 0.10 0.00 0.00 0.00 0.00 60.65 59.90 3hox s ILE 1152Cb -0.03 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 3hox s ILE 1152CO 0.03 0.45 -0.03 -0.31 0.00 0.00 0.00 174.94 175.08 3hox s TYR 1153N 1.38 2.67 -0.72 3.97 1.51 0.07 -4.95 117.35 121.29 3hox s TYR 1153Ca 0.05 -0.22 -0.12 0.00 -1.01 0.00 0.00 57.07 55.77 3hox s TYR 1153Cb -0.14 -1.20 0.19 0.00 -0.11 0.00 0.00 41.96 40.70 3hox s TYR 1153CO -0.08 0.61 0.63 -0.47 -1.11 0.00 0.00 175.55 175.14 3hox s TYR 1154N -2.25 3.60 -0.43 2.71 5.04 -1.26 -0.61 117.35 124.15 3hox s TYR 1154Ca 0.30 -2.02 0.03 0.00 -2.44 0.00 0.00 57.07 52.94 3hox s TYR 1154Cb -0.07 -3.67 0.12 0.00 0.35 0.00 0.00 41.96 38.69 3hox s TYR 1154CO 0.19 -0.97 0.18 0.34 -1.34 0.00 0.00 175.55 173.95 3hox s ASP 1155N 2.12 4.29 0.46 4.32 -1.08 -0.45 -4.91 116.67 121.41 3hox s ASP 1155Ca 0.15 -2.55 0.25 0.00 -0.52 0.00 0.00 52.55 49.87 3hox s ASP 1155Cb -0.16 -1.44 1.01 0.00 -1.46 0.00 0.00 42.92 40.87 3hox s ASP 1155CO -0.06 -0.30 1.87 1.55 0.52 0.00 0.00 175.17 178.75 3hox h PRO 1156N 7.03 0.00 -4.65 4.34 0.13 -1.90 -3.39 132.00 133.56 3hox h PRO 1156Ca -0.06 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.36 3hox h PRO 1156Cb 0.95 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.88 3hox h PRO 1156CO 0.58 0.20 0.15 0.34 -0.23 0.00 0.00 178.00 179.04 3hox s ASP 1157N -6.16 6.24 0.00 1.44 2.15 -1.26 -4.71 116.67 114.36 3hox s ASP 1157Ca 0.00 -1.54 0.00 0.00 0.43 0.00 0.00 52.55 51.44 3hox s ASP 1157Cb 0.11 -2.30 0.00 0.00 -0.30 0.00 0.00 42.92 40.42 3hox s ASP 1157CO 0.63 -1.08 0.06 -0.81 -0.17 0.00 0.00 175.17 173.80 3hox n PRO 1158N 6.20 0.08 0.00 4.34 -0.04 -1.26 -1.59 135.00 142.74 3hox n PRO 1158Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 3hox n PRO 1158Cb 0.43 -1.02 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 3hox n PRO 1158CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3hox n ARG 1159N 0.02 0.64 -3.57 0.54 3.00 -1.26 -5.03 116.66 111.00 3hox n ARG 1159Ca 0.00 -0.67 -0.02 0.00 -0.01 0.00 0.00 57.85 57.15 3hox n ARG 1159Cb 0.01 -0.74 -0.05 0.00 0.00 0.00 0.00 32.46 31.68 3hox n ARG 1159CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 3hox s SER 1160N -0.28 -0.68 0.19 0.55 1.04 -0.62 -4.83 113.70 109.06 3hox s SER 1160Ca 0.00 1.01 -0.17 0.00 0.48 0.00 0.00 55.95 57.28 3hox s SER 1160Cb 0.00 1.53 -0.08 0.00 0.10 0.00 0.00 66.02 67.58 3hox s SER 1160CO 0.00 -0.15 0.63 -0.89 0.98 0.00 0.00 173.24 173.81 3hox s THR 1161N 1.96 4.73 -1.78 2.02 2.01 -1.26 -4.50 115.64 118.81 3hox s THR 1161Ca -0.07 1.03 0.11 0.00 0.31 0.00 0.00 61.69 63.07 3hox s THR 1161Cb -0.06 -3.78 0.27 0.00 0.01 0.00 0.00 72.50 68.94 3hox s THR 1161CO -0.17 0.21 1.16 0.52 -0.69 0.00 0.00 174.62 175.65 3hox n VAL 1162N 0.72 0.29 -4.38 3.82 0.31 -1.26 -4.52 118.33 113.31 3hox n VAL 1162Ca -0.04 0.07 -0.34 0.00 -0.01 0.00 0.00 64.34 64.02 3hox n VAL 1162Cb 0.52 -0.90 -0.11 0.00 -0.91 0.00 0.00 33.84 32.44 3hox n VAL 1162CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3hox s ILE 1163N -2.22 4.14 -0.01 2.52 1.01 -1.26 -5.04 121.20 120.34 3hox s ILE 1163Ca 0.14 -0.29 -0.23 0.00 0.00 0.00 0.00 60.65 60.27 3hox s ILE 1163Cb 0.07 -2.77 -0.14 0.00 0.01 0.00 0.00 42.46 39.63 3hox s ILE 1163CO 0.14 0.55 1.02 1.55 0.00 0.00 0.00 174.94 178.20 3hox h PRO 1164N 5.89 -0.56 -1.08 2.79 0.13 -2.01 -2.91 132.00 134.25 3hox h PRO 1164Ca -0.42 0.04 0.29 0.00 -0.87 0.00 0.00 66.00 65.04 3hox h PRO 1164Cb 1.19 0.13 -0.10 0.00 0.13 0.00 0.00 31.00 32.34 3hox h PRO 1164CO 0.59 -0.26 0.69 1.05 -0.23 0.00 0.00 178.00 179.84 3hox h GLU 1165N -1.00 0.33 0.00 0.86 4.11 -1.96 1.16 114.58 118.08 3hox h GLU 1165Ca -0.06 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.35 3hox h GLU 1165Cb 0.56 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3hox h GLU 1165CO 0.10 0.22 0.00 -0.25 0.07 0.00 0.00 179.01 179.15 3hox n ASP 1166N -4.65 0.53 -0.28 3.06 9.92 -1.21 -3.80 116.55 120.12 3hox n ASP 1166Ca 0.27 0.56 0.09 0.00 -0.53 0.00 0.00 54.79 55.18 3hox n ASP 1166Cb 0.97 -0.70 0.24 0.00 -0.64 0.00 0.00 41.12 40.98 3hox n ASP 1166CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 3hox h GLU 1167N 0.00 0.41 0.00 -1.24 4.39 0.16 -2.99 114.58 115.31 3hox h GLU 1167Ca 0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3hox h GLU 1167Cb 0.61 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 3hox h GLU 1167CO 0.00 0.27 0.00 -1.91 -1.16 0.00 0.00 179.01 176.21 3hox n GLU 1168N -5.03 0.00 0.21 2.33 4.07 -1.25 -3.39 120.64 117.57 3hox n GLU 1168Ca 0.18 0.48 0.00 0.00 -0.06 0.00 0.00 57.16 57.75 3hox n GLU 1168Cb 0.51 -1.34 0.00 0.00 -0.06 0.00 0.00 31.44 30.56 3hox n GLU 1168CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 3hox h ILE 1169N 0.00 0.00 0.00 6.31 5.03 -1.76 -3.21 117.51 123.87 3hox h ILE 1169Ca 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.73 3hox h ILE 1169Cb 0.00 0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 33.79 3hox h ILE 1169CO 0.00 0.00 -0.49 0.40 -0.68 0.00 0.00 178.15 177.38 3hox h ILE 1170N 0.00 0.04 -0.64 -0.67 5.03 -1.61 -3.23 117.51 116.43 3hox h ILE 1170Ca 0.00 -1.04 0.06 0.00 -0.12 0.00 0.00 64.86 63.75 3hox h ILE 1170Cb 1.61 0.09 -0.04 0.00 -3.03 0.00 0.00 36.82 35.45 3hox h ILE 1170CO 0.00 0.01 0.42 0.06 -0.68 0.00 0.00 178.15 177.96 3hox h GLN 1171N -1.00 0.64 -0.02 2.37 -0.00 -1.72 -1.61 115.11 113.77 3hox h GLN 1171Ca -0.01 -0.04 -0.00 0.00 -0.00 0.00 0.00 58.65 58.60 3hox h GLN 1171Cb 0.50 -0.14 -0.00 0.00 -0.00 0.00 0.00 27.48 27.83 3hox h GLN 1171CO -0.01 0.42 0.01 -0.07 -0.00 0.00 0.00 178.83 179.18 3hox h LEU 1172N 0.66 0.03 -3.41 0.06 3.38 -1.76 -2.40 115.31 111.86 3hox h LEU 1172Ca 0.27 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3hox h LEU 1172Cb 0.23 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3hox h LEU 1172CO -0.08 0.15 -0.06 1.57 0.09 0.00 0.00 178.44 180.11 3hox n HIS 1173N -5.01 0.00 -0.01 1.13 -0.00 -0.61 -1.76 115.22 108.96 3hox n HIS 1173Ca -0.07 -0.94 0.00 0.00 0.46 0.00 0.00 57.72 57.17 3hox n HIS 1173Cb 0.09 -0.70 0.00 0.00 -0.12 0.00 0.00 29.99 29.26 3hox n HIS 1173CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 3hox n PHE 1174N 1.83 0.00 -0.55 1.57 0.99 -0.90 -4.95 117.46 115.44 3hox n PHE 1174Ca 0.09 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 57.45 3hox n PHE 1174Cb 0.51 0.00 0.03 0.00 -1.00 0.00 0.00 39.48 39.01 3hox n PHE 1174CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 3hox n SER 1175N 0.00 5.56 0.00 4.37 7.64 -0.72 -5.12 113.62 125.35 3hox n SER 1175Ca 0.00 -2.74 0.00 0.00 1.01 0.00 0.00 58.87 57.14 3hox n SER 1175Cb 0.00 -1.01 0.00 0.00 -1.01 0.00 0.00 64.21 62.19 3hox n SER 1175CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hox n GLN 1187N 0.71 0.00 -1.49 1.43 10.64 -1.26 -5.06 117.38 122.34 3hox n GLN 1187Ca 0.17 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 55.04 3hox n GLN 1187Cb 0.59 0.00 0.09 0.00 -0.86 0.00 0.00 30.24 30.06 3hox n GLN 1187CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 3hox s GLN 1188N 0.00 2.03 0.32 2.61 -0.21 -1.26 -1.81 119.66 121.34 3hox s GLN 1188Ca 0.00 0.71 -0.24 0.00 0.02 0.00 0.00 55.36 55.85 3hox s GLN 1188Cb 0.00 -1.91 -0.10 0.00 1.00 0.00 0.00 33.01 32.01 3hox s GLN 1188CO 0.00 -1.68 0.90 0.45 -2.12 0.00 0.00 175.29 172.84 3hox s SER 1189N -3.81 7.20 0.45 5.90 0.15 -1.23 -4.90 113.70 117.46 3hox s SER 1189Ca 0.61 1.71 0.25 0.00 0.70 0.00 0.00 55.95 59.22 3hox s SER 1189Cb -0.15 -2.54 0.69 0.00 -1.71 0.00 0.00 66.02 62.32 3hox s SER 1189CO 0.55 -0.10 1.73 1.55 1.20 0.00 0.00 173.24 178.16 3hox h PRO 1190N 2.97 0.00 -6.15 5.44 0.13 -1.84 -3.44 132.00 129.11 3hox h PRO 1190Ca -0.47 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.09 3hox h PRO 1190Cb 1.19 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 3hox h PRO 1190CO 0.64 0.12 0.79 -1.58 -0.23 0.00 0.00 178.00 177.74 3hox s TRP 1191N -3.38 3.19 -0.09 1.56 0.23 -1.26 -1.34 118.94 117.84 3hox s TRP 1191Ca 0.04 1.31 -0.02 0.00 -2.03 0.00 0.00 56.10 55.39 3hox s TRP 1191Cb 0.07 -3.35 -0.03 0.00 0.03 0.00 0.00 33.47 30.19 3hox s TRP 1191CO 0.64 -0.94 0.02 -1.17 0.96 0.00 0.00 176.95 176.46 3hox s LEU 1192N 3.02 3.68 -0.17 2.99 2.96 0.22 -4.62 118.68 126.75 3hox s LEU 1192Ca 0.49 0.18 0.01 0.00 -0.22 0.00 0.00 54.13 54.59 3hox s LEU 1192Cb -0.19 -1.85 0.01 0.00 0.50 0.00 0.00 46.19 44.66 3hox s LEU 1192CO 0.12 0.38 -0.18 -0.22 -1.32 0.00 0.00 176.35 175.13 3hox s LEU 1193N -0.91 2.26 -0.19 -0.68 2.96 -0.85 -0.75 118.68 120.52 3hox s LEU 1193Ca 0.14 -0.59 -0.01 0.00 -0.22 0.00 0.00 54.13 53.45 3hox s LEU 1193Cb -0.11 -1.52 0.05 0.00 0.50 0.00 0.00 46.19 45.11 3hox s LEU 1193CO 0.03 0.02 -0.01 -0.60 -1.32 0.00 0.00 176.35 174.47 3hox s ARG 1194N 1.16 1.06 -0.20 1.98 3.52 0.92 -1.01 118.95 126.38 3hox s ARG 1194Ca 0.01 -0.55 -0.08 0.00 -0.13 0.00 0.00 55.73 54.98 3hox s ARG 1194Cb -0.14 -2.14 -0.04 0.00 -1.56 0.00 0.00 34.95 31.07 3hox s ARG 1194CO -0.08 -0.57 0.09 -0.51 -0.81 0.00 0.00 175.30 173.43 3hox s LEU 1195N 1.70 3.91 -0.31 -0.88 1.43 -0.89 -1.33 118.68 122.32 3hox s LEU 1195Ca -0.01 0.09 -0.10 0.00 -1.03 0.00 0.00 54.13 53.07 3hox s LEU 1195Cb -0.17 -2.01 -0.01 0.00 0.03 0.00 0.00 46.19 44.03 3hox s LEU 1195CO -0.07 0.14 0.17 -0.70 0.23 0.00 0.00 176.35 176.12 3hox s GLU 1196N 0.59 3.43 0.43 1.70 2.12 -0.29 -1.61 118.70 125.07 3hox s GLU 1196Ca 0.05 -0.67 -0.02 0.00 0.36 0.00 0.00 54.97 54.69 3hox s GLU 1196Cb -0.13 -3.63 -0.03 0.00 0.26 0.00 0.00 34.13 30.61 3hox s GLU 1196CO 0.01 -0.40 0.69 -0.51 -0.54 0.00 0.00 175.26 174.50 3hox s LEU 1197N 1.65 3.77 -0.17 2.70 1.43 -1.13 0.44 118.68 127.37 3hox s LEU 1197Ca 0.05 0.68 -0.10 0.00 -1.03 0.00 0.00 54.13 53.73 3hox s LEU 1197Cb -0.17 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.42 3hox s LEU 1197CO 0.08 -0.49 0.16 -0.62 0.23 0.00 0.00 176.35 175.70 3hox s ASP 1198N -4.09 6.30 0.06 2.29 2.15 0.16 -4.49 116.67 119.05 3hox s ASP 1198Ca 0.45 0.34 -0.33 0.00 0.43 0.00 0.00 52.55 53.44 3hox s ASP 1198Cb -0.10 -2.10 -0.17 0.00 -0.30 0.00 0.00 42.92 40.25 3hox s ASP 1198CO 0.41 0.24 1.50 0.03 -0.17 0.00 0.00 175.17 177.17 3hox h ARG 1199N 6.16 -1.03 -0.89 4.34 3.08 -1.97 -0.81 114.38 123.26 3hox h ARG 1199Ca -0.45 0.07 0.15 0.00 0.07 0.00 0.00 59.98 59.82 3hox h ARG 1199Cb 1.18 0.23 -0.15 0.00 0.08 0.00 0.00 29.97 31.31 3hox h ARG 1199CO 0.71 -0.69 -0.29 0.00 -1.07 0.00 0.00 179.97 178.62 3hox n ALA 1200N -2.67 0.03 -0.11 0.04 0.00 -1.26 0.61 120.51 117.16 3hox n ALA 1200Ca -0.13 0.93 -0.06 0.00 0.00 0.00 0.00 53.44 54.18 3hox n ALA 1200Cb 0.45 -0.48 0.02 0.00 0.00 0.00 0.00 19.45 19.44 3hox n ALA 1200CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hox h ALA 1201N 1.47 0.39 0.00 0.00 0.00 -1.81 -0.99 119.26 118.31 3hox h ALA 1201Ca 0.36 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3hox h ALA 1201Cb 0.58 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3hox h ALA 1201CO -0.90 -0.33 0.00 -1.33 0.00 0.00 0.00 179.25 176.70 3hox n MET 1202N -5.09 0.62 0.00 0.00 2.00 0.20 -3.28 117.12 111.57 3hox n MET 1202Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.72 3hox n MET 1202Cb 0.16 -1.08 0.00 0.00 0.00 0.00 0.00 33.22 32.30 3hox n MET 1202CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 3hox n ASN 1203N -0.31 0.00 -0.49 7.83 3.02 -0.40 -0.75 115.26 124.16 3hox n ASN 1203Ca 0.00 0.00 0.40 0.00 -0.03 0.00 0.00 54.58 54.95 3hox n ASN 1203Cb 0.04 -0.13 0.65 0.00 -0.61 0.00 0.00 39.78 39.72 3hox n ASN 1203CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3hox n ASP 1204N -2.09 0.12 -3.93 6.41 -0.08 -1.06 -0.90 116.55 115.03 3hox n ASP 1204Ca 0.00 1.11 -0.29 0.00 -1.51 0.00 0.00 54.79 54.10 3hox n ASP 1204Cb 0.00 -0.55 -0.13 0.00 2.34 0.00 0.00 41.12 42.78 3hox n ASP 1204CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 3hox s LYS 1205N -4.92 2.26 0.00 -0.67 1.02 -1.20 -5.03 119.74 111.20 3hox s LYS 1205Ca -0.06 -3.03 0.00 0.00 0.02 0.00 0.00 55.97 52.90 3hox s LYS 1205Cb 0.26 -3.39 0.00 0.00 -0.52 0.00 0.00 37.83 34.18 3hox s LYS 1205CO 0.75 -1.21 0.00 -0.25 -0.92 0.00 0.00 175.35 173.72 3hox n ASP 1206N 2.48 0.00 -4.15 2.83 8.00 -0.08 -4.65 116.55 120.98 3hox n ASP 1206Ca 0.13 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.43 3hox n ASP 1206Cb 0.34 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.30 3hox n ASP 1206CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hox s LEU 1207N 0.00 2.17 0.02 0.64 1.43 0.08 -4.98 118.68 118.03 3hox s LEU 1207Ca 0.00 -0.46 0.08 0.00 -1.03 0.00 0.00 54.13 52.72 3hox s LEU 1207Cb 0.00 -0.62 -0.02 0.00 0.03 0.00 0.00 46.19 45.57 3hox s LEU 1207CO 0.00 0.04 -0.23 -0.89 0.23 0.00 0.00 176.35 175.50 3hox s THR 1208N -0.84 1.86 0.16 5.49 2.01 -1.26 -4.80 115.64 118.26 3hox s THR 1208Ca 0.02 -1.18 -0.15 0.00 0.31 0.00 0.00 61.69 60.68 3hox s THR 1208Cb -0.08 -1.59 0.03 0.00 0.01 0.00 0.00 72.50 70.88 3hox s THR 1208CO 0.01 0.36 1.78 0.24 -0.69 0.00 0.00 174.62 176.33 3hox h MET 1209N 5.09 0.41 -0.53 4.92 0.00 -1.97 -1.77 114.93 121.08 3hox h MET 1209Ca -0.43 -0.02 0.09 0.00 0.00 0.00 0.00 59.70 59.34 3hox h MET 1209Cb 1.14 -0.09 -0.10 0.00 0.00 0.00 0.00 31.60 32.55 3hox h MET 1209CO 0.45 0.27 -0.36 0.78 0.00 0.00 0.00 176.91 178.05 3hox h GLY 1210N 0.42 -0.26 -0.00 8.32 0.00 -1.96 0.40 103.07 109.99 3hox h GLY 1210Ca 0.17 0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.97 3hox h GLY 1210CO -0.11 -0.20 -0.01 1.46 0.00 0.00 0.00 176.54 177.68 3hox h GLN 1211N -0.21 -0.02 -0.43 4.80 4.20 -1.82 0.21 115.11 121.84 3hox h GLN 1211Ca 0.20 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.95 3hox h GLN 1211Cb 0.56 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.29 3hox h GLN 1211CO -0.64 -0.01 -0.26 0.28 -0.67 0.00 0.00 178.83 177.54 3hox n VAL 1212N -2.58 -0.29 -0.19 -0.54 0.31 -0.72 -0.62 118.33 113.70 3hox n VAL 1212Ca -0.00 1.85 -0.10 0.00 -0.01 0.00 0.00 64.34 66.08 3hox n VAL 1212Cb 0.01 -2.36 -0.05 0.00 -0.91 0.00 0.00 33.84 30.52 3hox n VAL 1212CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3hox h GLY 1213N 0.00 -0.62 -0.71 2.92 0.00 -0.11 0.21 103.07 104.76 3hox h GLY 1213Ca 0.07 0.61 0.14 0.00 0.00 0.00 0.00 47.33 48.15 3hox h GLY 1213CO -0.41 -0.14 -0.18 1.18 0.00 0.00 0.00 176.54 176.99 3hox n GLU 1214N -5.39 -0.07 0.38 4.80 -0.58 0.73 0.13 120.64 120.64 3hox n GLU 1214Ca 0.00 1.10 -0.18 0.00 -0.42 0.00 0.00 57.16 57.67 3hox n GLU 1214Cb 0.34 -1.64 -0.09 0.00 -0.57 0.00 0.00 31.44 29.48 3hox n GLU 1214CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hox h ARG 1215N 0.00 -1.03 -0.47 3.49 2.47 0.20 0.67 114.38 119.71 3hox h ARG 1215Ca 0.33 0.07 0.09 0.00 -1.26 0.00 0.00 59.98 59.22 3hox h ARG 1215Cb 0.51 0.24 -0.09 0.00 -1.65 0.00 0.00 29.97 28.98 3hox h ARG 1215CO -0.73 -0.69 -0.07 0.82 0.56 0.00 0.00 179.97 179.86 3hox h ILE 1216N -1.07 0.57 -0.23 2.04 2.04 0.89 3.28 117.51 125.01 3hox h ILE 1216Ca -0.09 -0.01 0.06 0.00 1.00 0.00 0.00 64.86 65.81 3hox h ILE 1216Cb 0.86 0.52 -0.07 0.00 -0.74 0.00 0.00 36.82 37.39 3hox h ILE 1216CO 0.09 0.01 -0.27 0.50 0.00 0.00 0.00 178.15 178.48 3hox h LYS 1217N 0.04 -0.27 0.00 2.37 1.63 0.13 -0.94 116.57 119.54 3hox h LYS 1217Ca 0.23 0.02 -0.10 0.00 -0.85 0.00 0.00 60.65 59.95 3hox h LYS 1217Cb 0.35 0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.03 3hox h LYS 1217CO -0.45 -0.18 -0.57 -0.56 -3.45 0.00 0.00 179.45 174.24 3hox h GLN 1218N -0.28 0.00 -0.39 1.90 3.07 0.15 0.29 115.11 119.85 3hox h GLN 1218Ca 0.13 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.84 3hox h GLN 1218Cb 0.49 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.03 3hox h GLN 1218CO -0.39 0.45 0.12 1.15 0.09 0.00 0.00 178.83 180.25 3hox h THR 1219N 0.00 1.17 0.00 1.86 2.02 0.68 -3.32 112.91 115.32 3hox h THR 1219Ca -0.02 -0.56 -0.29 0.00 0.77 0.00 0.00 66.41 66.31 3hox h THR 1219Cb 1.38 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 68.48 3hox h THR 1219CO 0.06 0.21 -1.91 0.49 0.37 0.00 0.00 175.52 174.74 3hox n PHE 1220N -4.35 0.00 0.00 3.16 3.01 -0.43 -5.05 117.46 113.80 3hox n PHE 1220Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 3hox n PHE 1220Cb 0.17 -0.70 0.00 0.00 -0.01 0.00 0.00 39.48 38.94 3hox n PHE 1220CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3hox n LYS 1221N -4.05 0.00 -2.66 -1.08 5.02 0.10 -4.63 118.16 110.86 3hox n LYS 1221Ca -0.36 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.49 3hox n LYS 1221Cb 0.72 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.73 3hox n LYS 1221CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3hox n ASN 1222N 5.63 5.02 0.00 4.39 4.13 -1.26 -3.31 115.26 129.87 3hox n ASN 1222Ca 0.00 -2.97 0.00 0.00 1.68 0.00 0.00 54.58 53.29 3hox n ASN 1222Cb 0.00 -1.62 0.00 0.00 -1.54 0.00 0.00 39.78 36.62 3hox n ASN 1222CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 3hox n ASP 1223N 6.21 0.00 -3.61 6.41 5.68 -1.26 -5.01 116.55 124.97 3hox n ASP 1223Ca 0.42 0.00 -0.15 0.00 -0.50 0.00 0.00 54.79 54.56 3hox n ASP 1223Cb 0.42 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.27 3hox n ASP 1223CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 3hox s LEU 1224N 0.00 -0.25 -0.09 -2.12 2.96 -1.21 -1.70 118.68 116.27 3hox s LEU 1224Ca 0.00 0.36 -0.25 0.00 -0.22 0.00 0.00 54.13 54.01 3hox s LEU 1224Cb 0.00 0.61 -0.03 0.00 0.50 0.00 0.00 46.19 47.27 3hox s LEU 1224CO 0.00 -0.26 0.80 0.12 -1.32 0.00 0.00 176.35 175.69 3hox s PHE 1225N 2.39 3.54 0.01 5.38 5.36 -1.26 -4.78 117.98 128.63 3hox s PHE 1225Ca 0.03 1.34 0.03 0.00 -0.96 0.00 0.00 56.93 57.37 3hox s PHE 1225Cb -0.13 -2.94 -0.01 0.00 -0.34 0.00 0.00 43.02 39.60 3hox s PHE 1225CO -0.09 -0.05 -0.10 0.08 -1.46 0.00 0.00 175.22 173.60 3hox s VAL 1226N 1.31 0.77 0.30 3.12 1.01 -1.26 -1.23 120.40 124.41 3hox s VAL 1226Ca 0.41 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.78 3hox s VAL 1226Cb -0.18 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 3hox s VAL 1226CO 0.18 0.04 0.17 -0.38 0.00 0.00 0.00 175.10 175.12 3hox n ILE 1227N 2.38 0.00 -3.64 2.22 5.41 -0.79 -5.01 119.36 119.94 3hox n ILE 1227Ca -0.16 -1.94 -0.03 0.00 1.00 0.00 0.00 62.75 61.63 3hox n ILE 1227Cb 0.56 0.83 -0.04 0.00 -0.71 0.00 0.00 39.64 40.27 3hox n ILE 1227CO 0.00 0.00 0.00 -1.66 0.00 0.00 0.00 176.55 174.89 3hox s TRP 1228N -2.93 -0.07 0.57 1.39 -2.14 -1.26 -2.72 118.94 111.77 3hox s TRP 1228Ca 0.24 0.12 -0.10 0.00 2.66 0.00 0.00 56.10 59.03 3hox s TRP 1228Cb 0.01 0.49 0.14 0.00 -3.10 0.00 0.00 33.47 31.02 3hox s TRP 1228CO 0.17 -0.07 0.44 -1.13 -2.66 0.00 0.00 176.95 173.70 3hox n SER 1229N 0.54 -2.02 -4.48 -2.66 3.41 -0.15 -4.99 113.62 103.28 3hox n SER 1229Ca -0.01 -0.64 -0.33 0.00 -0.26 0.00 0.00 58.87 57.63 3hox n SER 1229Cb 0.59 -0.43 -0.13 0.00 -0.26 0.00 0.00 64.21 63.98 3hox n SER 1229CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3hox s GLU 1230N -4.01 3.12 0.26 4.33 2.56 -1.26 -4.84 118.70 118.85 3hox s GLU 1230Ca 0.30 -0.61 0.17 0.00 0.00 0.00 0.00 54.97 54.83 3hox s GLU 1230Cb -0.04 -2.64 0.89 0.00 2.00 0.00 0.00 34.13 34.35 3hox s GLU 1230CO 0.24 0.42 0.98 -0.25 -0.56 0.00 0.00 175.26 176.08 3hox n ASP 1231N 2.96 0.16 -0.12 -1.70 8.00 -1.26 0.14 116.55 124.73 3hox n ASP 1231Ca -0.18 0.93 -0.11 0.00 0.71 0.00 0.00 54.79 56.14 3hox n ASP 1231Cb 0.53 -0.45 -0.02 0.00 -0.02 0.00 0.00 41.12 41.15 3hox n ASP 1231CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 3hox h ASN 1232N 0.00 0.67 -1.46 -2.24 -0.73 -1.99 -3.47 115.58 106.36 3hox h ASN 1232Ca 0.54 -0.35 -0.41 0.00 1.87 0.00 0.00 56.30 57.96 3hox h ASN 1232Cb 1.63 -0.18 0.17 0.00 0.27 0.00 0.00 38.32 40.20 3hox h ASN 1232CO -0.36 0.86 -1.29 0.47 -0.37 0.00 0.00 177.43 176.73 3hox n ASP 1233N -4.43 -4.18 0.16 1.15 8.00 0.38 -4.88 116.55 112.74 3hox n ASP 1233Ca -0.02 0.18 0.12 0.00 0.71 0.00 0.00 54.79 55.78 3hox n ASP 1233Cb 0.32 -0.56 0.11 0.00 -0.02 0.00 0.00 41.12 40.97 3hox n ASP 1233CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 3hox h GLU 1234N -0.63 0.00 -4.02 -1.24 4.11 -1.90 -3.43 114.58 107.47 3hox h GLU 1234Ca -0.32 0.00 -0.51 0.00 0.07 0.00 0.00 59.36 58.60 3hox h GLU 1234Cb 0.96 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 29.84 3hox h GLU 1234CO 0.19 0.00 -0.79 0.15 0.07 0.00 0.00 179.01 178.63 3hox s LYS 1235N -3.26 1.20 -0.05 1.06 1.02 -1.26 -5.09 119.74 113.35 3hox s LYS 1235Ca 0.04 -0.27 -0.23 0.00 0.02 0.00 0.00 55.97 55.54 3hox s LYS 1235Cb 0.08 -1.62 -0.04 0.00 -0.52 0.00 0.00 37.83 35.72 3hox s LYS 1235CO 0.72 -0.36 0.67 -0.51 -0.92 0.00 0.00 175.35 174.95 3hox s LEU 1236N 1.76 4.34 0.12 3.17 1.43 -1.26 -4.79 118.68 123.45 3hox s LEU 1236Ca 0.03 1.17 -0.14 0.00 -1.03 0.00 0.00 54.13 54.16 3hox s LEU 1236Cb -0.14 -3.03 0.02 0.00 0.03 0.00 0.00 46.19 43.07 3hox s LEU 1236CO -0.07 -0.06 0.36 -0.63 0.23 0.00 0.00 176.35 176.17 3hox s ILE 1237N 0.58 0.08 -0.02 -0.59 1.09 -1.26 -2.85 121.20 118.23 3hox s ILE 1237Ca 0.36 -0.78 0.01 0.00 -1.10 0.00 0.00 60.65 59.14 3hox s ILE 1237Cb -0.18 -1.28 0.02 0.00 -1.06 0.00 0.00 42.46 39.96 3hox s ILE 1237CO 0.18 -0.38 -0.02 -0.63 -0.10 0.00 0.00 174.94 173.99 3hox s ILE 1238N -3.83 0.30 -0.08 2.92 1.01 -0.63 -0.98 121.20 119.90 3hox s ILE 1238Ca 0.05 -0.04 0.05 0.00 0.00 0.00 0.00 60.65 60.70 3hox s ILE 1238Cb 0.02 -0.34 -0.01 0.00 0.01 0.00 0.00 42.46 42.15 3hox s ILE 1238CO -0.10 0.15 -0.23 -0.13 0.00 0.00 0.00 174.94 174.62 3hox s ARG 1239N 0.66 2.82 0.09 2.79 0.52 -1.10 -2.08 118.95 122.64 3hox s ARG 1239Ca -0.07 -0.86 0.04 0.00 -0.52 0.00 0.00 55.73 54.32 3hox s ARG 1239Cb -0.10 -2.27 -0.03 0.00 0.52 0.00 0.00 34.95 33.06 3hox s ARG 1239CO -0.01 0.30 -0.12 0.00 0.02 0.00 0.00 175.30 175.49 3hox n ARG 1241N 0.85 0.00 0.00 0.00 1.74 -0.37 -2.01 116.66 116.88 3hox n ARG 1241Ca -0.18 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 3hox n ARG 1241Cb 0.56 -0.38 0.00 0.00 -1.02 0.00 0.00 32.46 31.62 3hox n ARG 1241CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3hox n VAL 1242N -3.20 0.00 -3.88 1.55 0.31 -1.26 -4.57 118.33 107.29 3hox n VAL 1242Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 3hox n VAL 1242Cb 0.19 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 32.99 3hox n VAL 1242CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3hox s VAL 1243N -2.81 0.02 0.00 2.52 -7.23 -0.69 -3.55 120.40 108.66 3hox s VAL 1243Ca 0.00 -0.16 0.00 0.00 -1.81 0.00 0.00 61.98 60.01 3hox s VAL 1243Cb 0.00 -0.11 0.00 0.00 0.56 0.00 0.00 36.38 36.83 3hox s VAL 1243CO 0.00 -0.09 0.00 -1.14 -0.31 0.00 0.00 175.10 173.56 3hox n ARG 1244N 2.78 0.00 0.00 4.82 0.63 -0.75 -4.90 116.66 119.24 3hox n ARG 1244Ca -0.14 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.79 3hox n ARG 1244Cb 0.59 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.50 3hox n ARG 1244CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 3hox n PRO 1245N 0.00 0.00 0.00 -0.14 -0.04 -1.26 -5.02 135.00 128.54 3hox n PRO 1245Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3hox n PRO 1245Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3hox n PRO 1245CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3hox n GLU 1253N -1.02 0.00 -0.54 0.54 0.00 -1.26 -5.15 120.64 113.22 3hox n GLU 1253Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 3hox n GLU 1253Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 3hox n GLU 1253CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3hox n ALA 1254N -0.44 -1.07 0.00 -1.84 0.00 -1.26 -5.09 120.51 110.81 3hox n ALA 1254Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hox n ALA 1254Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3hox n ALA 1254CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3hox n GLU 1255N 0.24 0.00 -0.01 0.00 2.13 -1.26 -5.09 120.64 116.66 3hox n GLU 1255Ca 0.00 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.64 3hox n GLU 1255Cb 0.00 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.62 3hox n GLU 1255CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3hox h GLU 1256N 0.00 0.64 -1.01 5.31 5.08 -1.99 -3.25 114.58 119.36 3hox h GLU 1256Ca 0.00 -0.58 0.25 0.00 -1.00 0.00 0.00 59.36 58.03 3hox h GLU 1256Cb 0.00 0.14 -0.09 0.00 0.50 0.00 0.00 28.75 29.29 3hox h GLU 1256CO 0.00 1.19 0.65 0.22 -1.00 0.00 0.00 179.01 180.07 3hox h ASP 1257N 0.29 0.50 1.57 1.42 1.82 -1.98 0.63 116.42 120.68 3hox h ASP 1257Ca -0.07 0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 3hox h ASP 1257Cb 1.38 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.39 3hox h ASP 1257CO 0.15 0.12 -0.38 0.45 -1.61 0.00 0.00 179.24 177.97 3hox h HIS 1258N 0.46 0.00 0.00 0.28 3.86 -2.00 -2.52 115.15 115.23 3hox h HIS 1258Ca 0.58 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.59 3hox h HIS 1258Cb 1.36 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.80 3hox h HIS 1258CO -0.00 0.00 -1.09 1.98 0.86 0.00 0.00 177.93 179.68 3hox h MET 1259N 0.00 0.00 -0.27 2.45 1.85 -0.64 -3.02 114.93 115.30 3hox h MET 1259Ca 0.00 0.00 -0.18 0.00 -0.61 0.00 0.00 59.70 58.91 3hox h MET 1259Cb 0.97 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 33.00 3hox h MET 1259CO 0.00 0.72 -0.54 1.25 -0.40 0.00 0.00 176.91 177.94 3hox h LEU 1260N 0.00 0.88 -1.80 3.39 5.85 0.10 -1.70 115.31 122.02 3hox h LEU 1260Ca -0.08 -0.47 -0.00 0.00 0.84 0.00 0.00 57.88 58.17 3hox h LEU 1260Cb 1.72 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.49 3hox h LEU 1260CO 0.10 1.25 0.09 0.11 -0.34 0.00 0.00 178.44 179.64 3hox h LYS 1261N 0.61 0.22 0.35 1.25 1.57 -1.47 0.40 116.57 119.50 3hox h LYS 1261Ca 0.02 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3hox h LYS 1261Cb 1.13 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.39 3hox h LYS 1261CO 0.12 0.16 -0.17 0.87 -0.57 0.00 0.00 179.45 179.86 3hox h LYS 1262N 0.22 -0.45 0.00 3.15 1.57 -1.32 -2.69 116.57 117.05 3hox h LYS 1262Ca 0.06 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3hox h LYS 1262Cb 0.00 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3hox h LYS 1262CO -0.01 -0.30 0.36 0.82 -0.57 0.00 0.00 179.45 179.75 3hox h ILE 1263N -0.66 0.00 0.40 1.86 2.04 -0.93 -1.98 117.51 118.25 3hox h ILE 1263Ca -0.05 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 3hox h ILE 1263Cb 0.36 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 3hox h ILE 1263CO 0.08 0.00 -0.33 -0.08 0.00 0.00 0.00 178.15 177.81 3hox h GLU 1264N 0.00 -0.69 -0.03 2.37 4.57 -0.57 -3.09 114.58 117.14 3hox h GLU 1264Ca 0.00 0.05 -0.17 0.00 -1.18 0.00 0.00 59.36 58.05 3hox h GLU 1264Cb 0.72 0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.46 3hox h GLU 1264CO 0.00 -0.46 -0.75 -0.91 -1.18 0.00 0.00 179.01 175.70 3hox h ASN 1265N -0.72 0.26 -0.95 1.04 4.21 -1.46 -3.07 115.58 114.90 3hox h ASN 1265Ca -0.05 -0.18 0.23 0.00 1.21 0.00 0.00 56.30 57.51 3hox h ASN 1265Cb 0.60 -0.08 -0.07 0.00 -1.12 0.00 0.00 38.32 37.66 3hox h ASN 1265CO -0.00 0.92 0.63 0.74 -1.29 0.00 0.00 177.43 178.43 3hox h THR 1266N 0.14 0.62 0.07 2.81 2.02 -1.59 0.34 112.91 117.32 3hox h THR 1266Ca -0.03 -0.12 -0.28 0.00 0.77 0.00 0.00 66.41 66.76 3hox h THR 1266Cb 1.33 0.25 0.03 0.00 -1.74 0.00 0.00 68.15 68.01 3hox h THR 1266CO 0.12 0.06 -1.14 0.24 0.37 0.00 0.00 175.52 175.16 3hox h MET 1267N 0.34 0.64 0.30 6.66 2.86 -1.45 -3.26 114.93 121.03 3hox h MET 1267Ca 0.50 -0.79 -0.01 0.00 -2.06 0.00 0.00 59.70 57.33 3hox h MET 1267Cb 1.36 0.25 0.00 0.00 0.06 0.00 0.00 31.60 33.27 3hox h MET 1267CO -0.18 1.35 -0.15 -0.07 1.06 0.00 0.00 176.91 178.93 3hox h LEU 1268N 0.29 -0.35 -6.31 1.22 3.38 -0.50 -3.32 115.31 109.73 3hox h LEU 1268Ca -0.16 -0.19 -0.66 0.00 0.09 0.00 0.00 57.88 56.96 3hox h LEU 1268Cb 1.81 0.09 -0.38 0.00 0.09 0.00 0.00 40.66 42.27 3hox h LEU 1268CO 0.22 0.05 -0.19 -0.62 0.09 0.00 0.00 178.44 177.99 3hox n GLU 1269N -5.11 3.19 0.00 1.13 1.02 0.83 -3.33 120.64 118.38 3hox n GLU 1269Ca -0.09 -4.66 0.00 0.00 -0.02 0.00 0.00 57.16 52.38 3hox n GLU 1269Cb 0.27 -2.33 0.00 0.00 -0.02 0.00 0.00 31.44 29.36 3hox n GLU 1269CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3hox n ASN 1270N 0.84 0.00 -4.27 1.62 2.85 -1.23 -4.83 115.26 110.24 3hox n ASN 1270Ca 0.30 0.00 -0.37 0.00 -0.11 0.00 0.00 54.58 54.40 3hox n ASN 1270Cb 0.38 0.00 -0.13 0.00 1.24 0.00 0.00 39.78 41.28 3hox n ASN 1270CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3hox s ILE 1271N 0.00 3.64 -0.06 -1.44 1.01 -1.25 -5.00 121.20 118.09 3hox s ILE 1271Ca 0.00 -1.03 -0.12 0.00 0.00 0.00 0.00 60.65 59.50 3hox s ILE 1271Cb 0.00 -2.99 -0.05 0.00 0.01 0.00 0.00 42.46 39.43 3hox s ILE 1271CO 0.00 -0.06 0.29 -0.89 0.00 0.00 0.00 174.94 174.28 3hox s THR 1272N 1.40 5.25 -0.04 2.92 2.01 -1.26 -2.02 115.64 123.91 3hox s THR 1272Ca -0.01 0.56 -0.03 0.00 0.31 0.00 0.00 61.69 62.52 3hox s THR 1272Cb -0.19 -3.58 -0.01 0.00 0.01 0.00 0.00 72.50 68.74 3hox s THR 1272CO 0.02 0.58 -0.05 0.18 -0.69 0.00 0.00 174.62 174.65 3hox n LEU 1273N 2.06 0.43 -4.57 4.42 4.32 0.27 -4.90 117.00 119.04 3hox n LEU 1273Ca -0.16 0.25 -0.28 0.00 -0.02 0.00 0.00 56.01 55.80 3hox n LEU 1273Cb 0.53 -0.58 -0.08 0.00 -1.62 0.00 0.00 43.42 41.68 3hox n LEU 1273CO 0.35 -0.48 -0.19 0.00 -1.22 0.00 0.00 177.39 175.85 3hox s ARG 1274N -1.34 2.02 0.00 3.23 1.70 -1.22 -4.99 118.95 118.35 3hox s ARG 1274Ca -0.05 -2.26 0.00 0.00 -0.47 0.00 0.00 55.73 52.96 3hox s ARG 1274Cb 0.01 -0.75 0.00 0.00 -0.57 0.00 0.00 34.95 33.63 3hox s ARG 1274CO 0.07 -0.49 0.00 0.41 -1.08 0.00 0.00 175.30 174.20 3hox n GLY 1275N -1.01 -1.98 3.82 3.88 0.00 -1.25 -1.23 105.19 107.42 3hox n GLY 1275Ca -0.09 -1.51 -0.27 0.00 0.00 0.00 0.00 46.02 44.16 3hox n GLY 1275CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hox s VAL 1276N -2.29 4.65 0.99 1.61 1.01 0.55 -4.63 120.40 122.28 3hox s VAL 1276Ca 0.00 -0.97 -0.12 0.00 0.00 0.00 0.00 61.98 60.89 3hox s VAL 1276Cb 0.00 -3.36 0.18 0.00 0.00 0.00 0.00 36.38 33.20 3hox s VAL 1276CO 0.00 -0.08 1.08 -1.83 0.00 0.00 0.00 175.10 174.27 3hox s GLU 1277N -3.05 0.50 0.00 2.72 -1.05 -1.26 -3.19 118.70 113.38 3hox s GLU 1277Ca 0.31 0.80 0.00 0.00 -0.15 0.00 0.00 54.97 55.93 3hox s GLU 1277Cb -0.10 -1.72 0.00 0.00 -0.44 0.00 0.00 34.13 31.86 3hox s GLU 1277CO 0.24 -2.75 0.00 0.09 0.95 0.00 0.00 175.26 173.79 3hox n ASN 1278N -4.23 0.00 -4.35 0.83 3.02 -1.26 -4.66 115.26 104.61 3hox n ASN 1278Ca 0.06 0.00 -0.45 0.00 -0.03 0.00 0.00 54.58 54.16 3hox n ASN 1278Cb 0.55 -0.89 -0.05 0.00 -0.61 0.00 0.00 39.78 38.78 3hox n ASN 1278CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3hox s ILE 1279N -1.16 5.02 0.00 2.41 1.01 -1.19 -3.75 121.20 123.54 3hox s ILE 1279Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 60.65 59.44 3hox s ILE 1279Cb 0.00 -4.39 0.00 0.00 0.01 0.00 0.00 42.46 38.08 3hox s ILE 1279CO 0.00 -0.96 0.00 -0.62 0.00 0.00 0.00 174.94 173.36 3hox n GLU 1280N 5.76 2.58 -0.56 2.79 4.71 -1.10 -2.21 120.64 132.61 3hox n GLU 1280Ca -0.12 0.00 -0.18 0.00 -0.01 0.00 0.00 57.16 56.86 3hox n GLU 1280Cb 0.42 0.00 0.01 0.00 -1.01 0.00 0.00 31.44 30.85 3hox n GLU 1280CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 3hox n ARG 1281N 0.00 0.00 -3.73 3.49 1.74 -1.26 -4.57 116.66 112.33 3hox n ARG 1281Ca 0.00 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.94 3hox n ARG 1281Cb 0.00 -0.47 -0.09 0.00 -1.02 0.00 0.00 32.46 30.89 3hox n ARG 1281CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3hox s VAL 1282N -0.93 0.03 0.03 1.55 1.01 -1.26 -3.24 120.40 117.60 3hox s VAL 1282Ca 0.25 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.98 3hox s VAL 1282Cb -0.20 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.52 3hox s VAL 1282CO 0.32 -0.14 -0.06 -0.69 0.00 0.00 0.00 175.10 174.53 3hox s VAL 1283N -0.78 0.38 0.09 2.92 1.01 -0.54 -4.93 120.40 118.54 3hox s VAL 1283Ca -0.09 -1.03 -0.18 0.00 0.00 0.00 0.00 61.98 60.68 3hox s VAL 1283Cb -0.04 -0.50 -0.07 0.00 0.00 0.00 0.00 36.38 35.78 3hox s VAL 1283CO 0.04 -0.44 0.56 -0.04 0.00 0.00 0.00 175.10 175.22 3hox s MET 1284N -1.58 4.13 -0.04 2.72 -1.94 -1.26 -1.16 119.30 120.18 3hox s MET 1284Ca -0.12 0.67 -0.01 0.00 -1.71 0.00 0.00 55.69 54.52 3hox s MET 1284Cb -0.10 -3.15 0.03 0.00 2.01 0.00 0.00 34.83 33.63 3hox s MET 1284CO -0.00 0.59 0.07 -1.64 -0.01 0.00 0.00 175.02 174.03 3hox s MET 1285N -1.35 0.00 -0.99 2.03 -1.94 0.37 -4.90 119.30 112.54 3hox s MET 1285Ca 0.31 0.25 -0.15 0.00 -1.71 0.00 0.00 55.69 54.39 3hox s MET 1285Cb -0.18 -0.23 0.18 0.00 2.01 0.00 0.00 34.83 36.61 3hox s MET 1285CO 0.19 -0.17 1.09 0.15 -0.01 0.00 0.00 175.02 176.27 3hox s LYS 1286N 1.11 3.79 0.20 2.03 1.02 -1.26 0.21 119.74 126.83 3hox s LYS 1286Ca -0.09 -2.32 -0.25 0.00 0.02 0.00 0.00 55.97 53.33 3hox s LYS 1286Cb -0.13 -4.77 -0.08 0.00 -0.52 0.00 0.00 37.83 32.33 3hox s LYS 1286CO -0.04 -1.57 0.81 0.71 -0.92 0.00 0.00 175.35 174.33 3hox s TYR 1287N 1.25 3.86 -0.27 3.18 4.12 -0.28 -4.87 117.35 124.34 3hox s TYR 1287Ca 0.31 1.65 -0.22 0.00 0.02 0.00 0.00 57.07 58.82 3hox s TYR 1287Cb -0.06 -2.79 -0.01 0.00 -1.52 0.00 0.00 41.96 37.58 3hox s TYR 1287CO -0.07 0.45 0.71 0.34 0.02 0.00 0.00 175.55 177.00 3hox s ASP 1288N -1.28 6.65 -0.07 2.29 -1.08 -1.26 -1.13 116.67 120.79 3hox s ASP 1288Ca 0.39 0.74 0.00 0.00 -0.52 0.00 0.00 52.55 53.17 3hox s ASP 1288Cb -0.22 -2.38 0.02 0.00 -1.46 0.00 0.00 42.92 38.89 3hox s ASP 1288CO 0.26 -0.47 -0.06 -0.60 0.52 0.00 0.00 175.17 174.82 3hox s ARG 1289N 2.70 1.12 0.02 4.34 3.52 -1.26 -4.93 118.95 124.47 3hox s ARG 1289Ca 0.30 -0.15 -0.30 0.00 -0.13 0.00 0.00 55.73 55.44 3hox s ARG 1289Cb -0.15 -1.17 -0.04 0.00 -1.56 0.00 0.00 34.95 32.03 3hox s ARG 1289CO 0.09 -0.16 1.04 0.15 -0.81 0.00 0.00 175.30 175.62 3hox s LYS 1290N 1.31 4.53 0.03 5.12 1.02 -1.26 -0.47 119.74 130.01 3hox s LYS 1290Ca -0.04 1.52 -0.08 0.00 0.02 0.00 0.00 55.97 57.39 3hox s LYS 1290Cb -0.14 -3.42 -0.00 0.00 -0.52 0.00 0.00 37.83 33.75 3hox s LYS 1290CO -0.03 -0.10 0.15 0.54 -0.92 0.00 0.00 175.35 174.99 3hox s VAL 1291N 0.98 0.11 0.06 3.17 0.11 -0.22 -4.88 120.40 119.74 3hox s VAL 1291Ca 0.54 -0.93 -0.30 0.00 -2.93 0.00 0.00 61.98 58.36 3hox s VAL 1291Cb -0.23 -0.81 -0.09 0.00 -1.53 0.00 0.00 36.38 33.71 3hox s VAL 1291CO 0.28 -0.51 1.87 -2.84 -3.33 0.00 0.00 175.10 170.57 3hox s PRO 1292N -2.34 4.15 0.75 1.54 0.02 -1.26 0.11 135.00 137.96 3hox s PRO 1292Ca -0.07 2.54 -0.13 0.00 0.02 0.00 0.00 61.00 63.36 3hox s PRO 1292Cb -0.02 -3.92 0.05 0.00 0.02 0.00 0.00 34.50 30.62 3hox s PRO 1292CO -0.03 -0.89 1.14 0.45 -0.33 0.00 0.00 177.00 177.34 3hox s SER 1293N 3.63 4.32 0.41 2.53 0.15 0.28 -4.84 113.70 120.17 3hox s SER 1293Ca 0.83 2.09 0.29 0.00 0.70 0.00 0.00 55.95 59.86 3hox s SER 1293Cb -0.43 -2.56 1.38 0.00 -1.71 0.00 0.00 66.02 62.71 3hox s SER 1293CO 0.38 -2.17 1.87 1.55 1.20 0.00 0.00 173.24 176.07 3hox h PRO 1294N -0.68 0.00 -0.27 5.44 0.13 -1.94 -2.20 132.00 132.49 3hox h PRO 1294Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3hox h PRO 1294Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3hox h PRO 1294CO 0.50 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.52 3hox n THR 1295N -2.56 0.34 0.00 1.56 -2.24 -1.26 -5.03 114.28 105.10 3hox n THR 1295Ca -0.00 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 3hox n THR 1295Cb 0.15 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 3hox n THR 1295CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hox n GLY 1296N 1.25 2.17 3.30 3.38 0.00 -0.83 -3.40 105.19 111.06 3hox n GLY 1296Ca 0.17 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 3hox n GLY 1296CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3hox n GLU 1297N 0.00 0.15 -2.83 1.61 -0.00 -1.22 -3.85 120.64 114.49 3hox n GLU 1297Ca 0.00 0.06 -0.33 0.00 -0.00 0.00 0.00 57.16 56.90 3hox n GLU 1297Cb 0.00 -1.26 -0.06 0.00 -0.00 0.00 0.00 31.44 30.12 3hox n GLU 1297CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 3hox s TYR 1298N -1.93 3.36 0.02 -1.84 1.51 -1.26 -0.56 117.35 116.65 3hox s TYR 1298Ca 0.59 1.45 -0.07 0.00 -1.01 0.00 0.00 57.07 58.02 3hox s TYR 1298Cb -0.43 -2.73 -0.00 0.00 -0.11 0.00 0.00 41.96 38.68 3hox s TYR 1298CO 0.64 -0.10 0.14 0.08 -1.11 0.00 0.00 175.55 175.20 3hox s VAL 1299N -2.22 0.10 -0.57 0.71 1.01 0.30 -4.79 120.40 114.95 3hox s VAL 1299Ca 0.59 -0.85 -0.26 0.00 0.00 0.00 0.00 61.98 61.46 3hox s VAL 1299Cb -0.10 -0.67 -0.06 0.00 0.00 0.00 0.00 36.38 35.55 3hox s VAL 1299CO 0.18 -0.47 2.22 -0.54 0.00 0.00 0.00 175.10 176.50 3hox s LYS 1300N -1.99 2.23 -0.72 2.72 1.02 -1.26 -1.05 119.74 120.68 3hox s LYS 1300Ca -0.10 1.00 0.04 0.00 0.02 0.00 0.00 55.97 56.93 3hox s LYS 1300Cb -0.04 -4.57 0.22 0.00 -0.52 0.00 0.00 37.83 32.92 3hox s LYS 1300CO -0.01 -3.23 0.72 -1.91 -0.92 0.00 0.00 175.35 170.00 3hox n GLU 1301N 9.04 2.44 -1.47 1.68 2.13 0.38 -4.92 120.64 129.93 3hox n GLU 1301Ca 0.33 -4.59 -0.42 0.00 0.66 0.00 0.00 57.16 53.14 3hox n GLU 1301Cb 0.53 -2.30 0.01 0.00 0.27 0.00 0.00 31.44 29.94 3hox n GLU 1301CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 3hox n PRO 1302N 1.42 0.63 -4.03 5.31 -0.04 -1.26 -4.16 135.00 132.87 3hox n PRO 1302Ca 0.25 0.23 -0.10 0.00 -0.04 0.00 0.00 63.50 63.84 3hox n PRO 1302Cb 0.38 -1.54 -0.11 0.00 -0.04 0.00 0.00 33.50 32.19 3hox n PRO 1302CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 3hox s GLU 1303N -1.58 0.45 0.41 0.54 -1.05 -0.28 -4.41 118.70 112.77 3hox s GLU 1303Ca 0.63 -0.77 -0.20 0.00 -0.15 0.00 0.00 54.97 54.49 3hox s GLU 1303Cb -0.62 -0.05 -0.11 0.00 -0.44 0.00 0.00 34.13 32.92 3hox s GLU 1303CO 0.58 -0.02 0.91 -1.58 0.95 0.00 0.00 175.26 176.10 3hox s TRP 1304N -1.80 3.33 -0.01 4.83 0.52 -0.82 -1.13 118.94 123.85 3hox s TRP 1304Ca -0.10 1.53 -0.04 0.00 0.02 0.00 0.00 56.10 57.51 3hox s TRP 1304Cb -0.07 -2.79 -0.00 0.00 -1.15 0.00 0.00 33.47 29.46 3hox s TRP 1304CO -0.02 -0.08 0.08 0.08 0.02 0.00 0.00 176.95 177.04 3hox s VAL 1305N -2.16 0.06 -0.18 4.03 1.01 0.56 -4.29 120.40 119.44 3hox s VAL 1305Ca 0.60 -0.50 -0.06 0.00 0.00 0.00 0.00 61.98 62.02 3hox s VAL 1305Cb -0.09 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 3hox s VAL 1305CO 0.14 -0.27 0.04 -0.76 0.00 0.00 0.00 175.10 174.25 3hox s LEU 1306N -0.89 3.63 -0.18 3.92 1.43 -0.50 0.14 118.68 126.23 3hox s LEU 1306Ca -0.10 0.00 -0.03 0.00 -1.03 0.00 0.00 54.13 52.97 3hox s LEU 1306Cb -0.06 -1.91 -0.02 0.00 0.03 0.00 0.00 46.19 44.23 3hox s LEU 1306CO 0.00 0.16 -0.06 -1.61 0.23 0.00 0.00 176.35 175.07 3hox s GLU 1307N 0.47 3.46 0.00 1.70 2.02 -0.31 -0.52 118.70 125.52 3hox s GLU 1307Ca 0.01 -0.61 0.00 0.00 0.02 0.00 0.00 54.97 54.40 3hox s GLU 1307Cb -0.13 -2.91 0.00 0.00 0.10 0.00 0.00 34.13 31.19 3hox s GLU 1307CO 0.01 0.01 0.00 -2.37 0.02 0.00 0.00 175.26 172.93 3hox n THR 1308N 4.20 0.00 0.00 3.63 5.66 -0.60 -1.47 114.28 125.70 3hox n THR 1308Ca -0.18 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 3hox n THR 1308Cb 0.52 -0.68 0.00 0.00 -1.55 0.00 0.00 70.33 68.61 3hox n THR 1308CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 3hox n ASP 1309N 0.00 0.00 0.00 1.09 -0.08 -1.20 -4.66 116.55 111.70 3hox n ASP 1309Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3hox n ASP 1309Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 3hox n ASP 1309CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3hox n GLY 1310N 0.00 3.77 3.13 0.27 0.00 -1.14 -2.72 105.19 108.50 3hox n GLY 1310Ca 0.00 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 3hox n GLY 1310CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hox s VAL 1311N -1.93 1.75 -0.23 1.61 1.01 -1.25 -4.60 120.40 116.76 3hox s VAL 1311Ca 0.00 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.14 3hox s VAL 1311Cb 0.00 -1.55 0.12 0.00 0.00 0.00 0.00 36.38 34.95 3hox s VAL 1311CO 0.00 0.49 0.33 0.21 0.00 0.00 0.00 175.10 176.13 3hox s ASN 1312N 0.69 0.68 -0.06 3.32 3.84 -1.26 -4.88 114.94 117.26 3hox s ASN 1312Ca -0.12 0.01 -0.04 0.00 0.21 0.00 0.00 52.86 52.92 3hox s ASN 1312Cb -0.16 0.85 -0.01 0.00 -0.55 0.00 0.00 41.25 41.38 3hox s ASN 1312CO 0.03 -0.31 -0.08 -0.11 -2.79 0.00 0.00 177.10 173.83 3hox n LEU 1313N 5.35 0.76 -0.32 3.21 7.94 -1.26 -3.02 117.00 129.65 3hox n LEU 1313Ca -0.04 0.39 0.28 0.00 -1.11 0.00 0.00 56.01 55.53 3hox n LEU 1313Cb 0.50 -0.65 0.43 0.00 0.53 0.00 0.00 43.42 44.23 3hox n LEU 1313CO 0.06 -0.48 0.93 -1.54 -1.11 0.00 0.00 177.39 175.25 3hox n SER 1314N -3.25 0.00 0.00 1.96 3.41 -1.26 -1.22 113.62 113.26 3hox n SER 1314Ca -0.03 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 3hox n SER 1314Cb 0.12 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 3hox n SER 1314CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hox n GLU 1315N -2.97 0.00 0.00 4.33 -0.58 -1.26 -4.23 120.64 115.93 3hox n GLU 1315Ca 0.23 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 57.02 3hox n GLU 1315Cb 1.21 -0.42 0.00 0.00 -0.57 0.00 0.00 31.44 31.66 3hox n GLU 1315CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3hox n VAL 1316N -2.11 0.33 -0.01 2.62 0.31 -0.87 0.02 118.33 118.63 3hox n VAL 1316Ca 0.00 0.18 -0.22 0.00 -0.01 0.00 0.00 64.34 64.30 3hox n VAL 1316Cb 0.00 -1.18 -0.14 0.00 -0.91 0.00 0.00 33.84 31.61 3hox n VAL 1316CO 0.00 0.00 0.00 -0.03 -1.32 0.00 0.00 176.83 175.48 3hox h MET 1317N 0.00 0.22 0.00 5.55 -1.53 -1.37 -3.36 114.93 114.44 3hox h MET 1317Ca 0.00 -0.38 0.00 0.00 -3.44 0.00 0.00 59.70 55.88 3hox h MET 1317Cb 0.20 0.14 0.00 0.00 -0.55 0.00 0.00 31.60 31.40 3hox h MET 1317CO 0.00 1.18 0.00 0.25 0.14 0.00 0.00 176.91 178.48 3hox n THR 1318N -3.83 0.74 -1.73 -0.77 -2.24 0.10 -4.66 114.28 101.89 3hox n THR 1318Ca -0.28 0.13 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 3hox n THR 1318Cb 0.93 -0.93 -0.01 0.00 -2.10 0.00 0.00 70.33 68.22 3hox n THR 1318CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3hox n VAL 1319N -1.87 1.51 -1.57 2.28 0.31 -1.21 -5.00 118.33 112.78 3hox n VAL 1319Ca 0.04 -0.38 -0.31 0.00 -0.01 0.00 0.00 64.34 63.68 3hox n VAL 1319Cb 0.25 -1.81 0.05 0.00 -0.91 0.00 0.00 33.84 31.43 3hox n VAL 1319CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3hox s PRO 1320N -1.26 2.84 0.00 5.55 0.04 -1.26 -3.85 135.00 137.06 3hox s PRO 1320Ca 0.60 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.68 3hox s PRO 1320Cb -0.53 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.04 3hox s PRO 1320CO 0.56 -1.18 0.00 0.41 0.04 0.00 0.00 177.00 176.83 3hox n GLY 1321N -1.65 2.46 3.85 0.56 0.00 -1.26 -4.95 105.19 104.20 3hox n GLY 1321Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 3hox n GLY 1321CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3hox s ILE 1322N -2.48 2.82 -0.40 -0.61 -4.36 -1.25 -1.04 121.20 113.88 3hox s ILE 1322Ca 0.00 -1.39 -0.14 0.00 -0.26 0.00 0.00 60.65 58.86 3hox s ILE 1322Cb 0.00 -3.03 0.02 0.00 1.25 0.00 0.00 42.46 40.70 3hox s ILE 1322CO 0.00 -0.04 0.27 -0.62 0.24 0.00 0.00 174.94 174.79 3hox s ASP 1323N -4.07 6.01 -0.04 4.36 -1.08 0.18 -4.38 116.67 117.64 3hox s ASP 1323Ca 0.46 -0.90 0.03 0.00 -0.52 0.00 0.00 52.55 51.61 3hox s ASP 1323Cb -0.03 -2.12 0.14 0.00 -1.46 0.00 0.00 42.92 39.45 3hox s ASP 1323CO 0.27 -0.42 0.76 -0.81 0.52 0.00 0.00 175.17 175.49 3hox n PRO 1324N 5.12 1.64 0.00 4.34 -0.04 -1.26 -3.19 135.00 141.61 3hox n PRO 1324Ca -0.11 -0.54 0.00 0.00 -0.04 0.00 0.00 63.50 62.80 3hox n PRO 1324Cb 0.47 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 3hox n PRO 1324CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 3hox n THR 1325N 0.08 0.00 -0.18 0.52 5.66 -1.26 -4.69 114.28 114.40 3hox n THR 1325Ca 0.05 -0.44 0.00 0.00 -3.05 0.00 0.00 64.05 60.61 3hox n THR 1325Cb 0.38 1.01 0.00 0.00 -1.55 0.00 0.00 70.33 70.17 3hox n THR 1325CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3hox n ARG 1326N -0.79 -0.60 -1.73 1.09 1.74 -1.19 -5.05 116.66 110.12 3hox n ARG 1326Ca 0.00 -0.39 -0.36 0.00 -0.77 0.00 0.00 57.85 56.32 3hox n ARG 1326Cb 0.00 -0.89 0.07 0.00 -1.02 0.00 0.00 32.46 30.62 3hox n ARG 1326CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 3hox s ILE 1327N -0.03 2.13 -0.12 0.55 2.07 -1.20 -4.66 121.20 119.94 3hox s ILE 1327Ca 0.00 0.08 -0.17 0.00 -1.41 0.00 0.00 60.65 59.15 3hox s ILE 1327Cb 0.00 -2.98 0.04 0.00 0.13 0.00 0.00 42.46 39.65 3hox s ILE 1327CO 0.00 -0.02 0.44 -0.47 -1.91 0.00 0.00 174.94 172.99 3hox s TYR 1328N -1.49 -0.44 -0.02 3.50 5.04 0.05 -5.02 117.35 118.96 3hox s TYR 1328Ca 0.81 0.99 0.02 0.00 -2.44 0.00 0.00 57.07 56.45 3hox s TYR 1328Cb -0.36 0.18 0.01 0.00 0.35 0.00 0.00 41.96 42.14 3hox s TYR 1328CO 0.40 -0.31 -0.07 0.99 -1.34 0.00 0.00 175.55 175.21 3hox s THR 1329N -0.27 0.64 0.32 4.34 2.01 -1.26 0.35 115.64 121.76 3hox s THR 1329Ca -0.04 -0.27 0.04 0.00 0.31 0.00 0.00 61.69 61.73 3hox s THR 1329Cb -0.03 -0.58 0.12 0.00 0.01 0.00 0.00 72.50 72.01 3hox s THR 1329CO 0.02 0.21 1.81 -0.55 -0.69 0.00 0.00 174.62 175.43 3hox h ASN 1330N 6.46 0.44 -0.36 3.53 7.08 -1.94 -3.33 115.58 127.47 3hox h ASN 1330Ca -0.33 -0.11 -0.28 0.00 -3.08 0.00 0.00 56.30 52.49 3hox h ASN 1330Cb 1.17 -0.12 -0.02 0.00 -2.08 0.00 0.00 38.32 37.27 3hox h ASN 1330CO 0.49 0.61 0.92 -0.24 -2.08 0.00 0.00 177.43 177.13 3hox n SER 1331N -4.21 2.68 0.13 6.14 2.88 -1.26 -4.60 113.62 115.38 3hox n SER 1331Ca 0.00 -2.65 0.19 0.00 -1.33 0.00 0.00 58.87 55.08 3hox n SER 1331Cb 0.32 -1.70 0.77 0.00 -0.75 0.00 0.00 64.21 62.85 3hox n SER 1331CO 0.00 0.00 0.00 2.19 -1.23 0.00 0.00 175.04 176.00 3hox h PHE 1332N 10.01 0.00 -0.92 0.66 -5.15 -1.93 0.36 116.94 119.96 3hox h PHE 1332Ca 0.19 0.00 0.23 0.00 -0.20 0.00 0.00 57.97 58.18 3hox h PHE 1332Cb 0.93 0.00 -0.12 0.00 0.22 0.00 0.00 35.95 36.98 3hox h PHE 1332CO 1.17 0.00 0.45 0.82 -2.00 0.00 0.00 178.31 178.75 3hox h ILE 1333N 0.00 0.49 0.29 0.88 1.08 -1.93 0.19 117.51 118.52 3hox h ILE 1333Ca 0.16 -0.15 -0.01 0.00 -0.39 0.00 0.00 64.86 64.46 3hox h ILE 1333Cb 0.80 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.56 3hox h ILE 1333CO -0.00 0.08 -0.14 0.44 -0.69 0.00 0.00 178.15 177.84 3hox h ASP 1334N 0.45 -0.33 0.00 1.72 3.32 -0.66 -3.18 116.42 117.74 3hox h ASP 1334Ca 0.58 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.64 3hox h ASP 1334Cb 1.11 0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3hox h ASP 1334CO -0.51 0.08 0.50 0.40 -1.72 0.00 0.00 179.24 177.99 3hox h ILE 1335N -1.02 0.00 0.00 0.35 2.04 -1.28 1.14 117.51 118.74 3hox h ILE 1335Ca -0.04 0.00 -0.23 0.00 1.00 0.00 0.00 64.86 65.59 3hox h ILE 1335Cb 0.30 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 3hox h ILE 1335CO 0.07 0.00 -1.18 -0.03 0.00 0.00 0.00 178.15 177.00 3hox h MET 1336N 0.00 0.01 0.04 2.37 4.05 -0.61 -2.86 114.93 117.92 3hox h MET 1336Ca 0.00 -0.02 -0.32 0.00 -0.28 0.00 0.00 59.70 59.09 3hox h MET 1336Cb 1.01 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.78 3hox h MET 1336CO 0.00 0.89 -1.80 0.39 0.23 0.00 0.00 176.91 176.62 3hox n GLU 1337N -3.28 0.67 0.06 0.39 1.02 0.38 -2.75 120.64 117.13 3hox n GLU 1337Ca -0.04 0.29 -0.03 0.00 -0.02 0.00 0.00 57.16 57.36 3hox n GLU 1337Cb 0.97 -1.77 -0.01 0.00 -0.02 0.00 0.00 31.44 30.61 3hox n GLU 1337CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3hox h VAL 1338N 0.02 0.00 0.00 2.62 2.07 -1.38 -3.40 116.25 116.18 3hox h VAL 1338Ca -0.33 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 66.87 3hox h VAL 1338Cb 2.02 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 3hox h VAL 1338CO 0.08 0.00 -0.42 0.18 0.02 0.00 0.00 177.57 177.43 3hox n LEU 1339N -3.39 0.43 0.00 2.57 4.77 -1.08 -5.08 117.00 115.23 3hox n LEU 1339Ca -0.02 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3hox n LEU 1339Cb 0.07 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 3hox n LEU 1339CO 0.06 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 3hox n GLY 1340N 1.48 2.62 0.46 -0.72 0.00 -1.11 -4.49 105.19 103.44 3hox n GLY 1340Ca 0.06 -1.91 -0.15 0.00 0.00 0.00 0.00 46.02 44.02 3hox n GLY 1340CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3hox h ILE 1341N 0.00 0.02 -0.83 -0.61 6.09 -1.89 0.71 117.51 121.01 3hox h ILE 1341Ca 0.00 0.00 0.18 0.00 -1.37 0.00 0.00 64.86 63.67 3hox h ILE 1341Cb 0.00 0.02 -0.11 0.00 0.47 0.00 0.00 36.82 37.20 3hox h ILE 1341CO 0.00 0.00 0.35 -0.33 -3.07 0.00 0.00 178.15 175.10 3hox h GLU 1342N -0.61 0.42 -0.22 2.19 4.39 -1.94 0.72 114.58 119.54 3hox h GLU 1342Ca 0.03 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 3hox h GLU 1342Cb 0.69 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 3hox h GLU 1342CO -0.40 0.28 -0.01 0.00 -1.16 0.00 0.00 179.01 177.71 3hox h ALA 1343N 1.62 1.58 0.29 3.43 0.00 -1.48 -1.91 119.26 122.81 3hox h ALA 1343Ca 0.48 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 3hox h ALA 1343Cb 0.82 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3hox h ALA 1343CO -0.46 0.31 -0.14 0.78 0.00 0.00 0.00 179.25 179.73 3hox h GLY 1344N 0.63 -0.41 -0.72 0.00 0.00 0.26 -2.44 103.07 100.39 3hox h GLY 1344Ca 0.07 0.15 0.33 0.00 0.00 0.00 0.00 47.33 47.88 3hox h GLY 1344CO 0.01 -0.15 0.43 -0.09 0.00 0.00 0.00 176.54 176.73 3hox h ARG 1345N -1.00 0.16 0.15 4.80 2.43 -0.76 1.83 114.38 121.99 3hox h ARG 1345Ca -0.04 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3hox h ARG 1345Cb 0.47 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 3hox h ARG 1345CO 0.07 0.10 -0.24 0.00 -1.51 0.00 0.00 179.97 178.39 3hox h ALA 1346N 1.90 -0.44 -0.36 2.80 0.00 -1.29 -0.80 119.26 121.08 3hox h ALA 1346Ca 0.72 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.53 3hox h ALA 1346Cb 1.69 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.85 3hox h ALA 1346CO -0.71 -0.79 0.03 0.00 0.00 0.00 0.00 179.25 177.78 3hox h ALA 1347N 0.27 0.49 -0.56 0.00 0.00 0.28 -0.70 119.26 119.03 3hox h ALA 1347Ca 0.02 -0.23 0.11 0.00 0.00 0.00 0.00 54.91 54.81 3hox h ALA 1347Cb 0.47 -0.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.02 3hox h ALA 1347CO -0.12 0.22 -0.10 1.25 0.00 0.00 0.00 179.25 180.50 3hox h LEU 1348N 0.45 -0.45 0.28 0.00 5.85 0.12 0.42 115.31 121.98 3hox h LEU 1348Ca 0.11 0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 3hox h LEU 1348Cb 0.41 0.32 0.00 0.00 0.37 0.00 0.00 40.66 41.76 3hox h LEU 1348CO 0.01 -0.16 -0.14 0.22 -0.34 0.00 0.00 178.44 178.03 3hox h TYR 1349N 0.03 -0.35 -0.93 1.25 3.20 -0.97 -0.76 116.97 118.43 3hox h TYR 1349Ca 0.27 -0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.31 3hox h TYR 1349Cb 0.43 0.12 -0.17 0.00 1.54 0.00 0.00 36.73 38.64 3hox h TYR 1349CO -0.43 -0.08 -0.29 -0.22 -1.64 0.00 0.00 178.16 175.50 3hox h LYS 1350N -0.60 -0.01 0.74 1.82 3.11 0.49 0.21 116.57 122.32 3hox h LYS 1350Ca -0.04 0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 57.77 3hox h LYS 1350Cb 0.43 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.68 3hox h LYS 1350CO 0.06 -0.01 -0.36 1.49 -2.81 0.00 0.00 179.45 177.83 3hox h GLU 1351N -0.01 -0.96 -0.65 1.90 4.57 -0.08 -2.45 114.58 116.90 3hox h GLU 1351Ca 0.40 0.07 0.13 0.00 -1.18 0.00 0.00 59.36 58.77 3hox h GLU 1351Cb 0.65 0.22 -0.12 0.00 -0.16 0.00 0.00 28.75 29.33 3hox h GLU 1351CO -0.95 -0.62 -0.23 0.28 -1.18 0.00 0.00 179.01 176.31 3hox h VAL 1352N -1.10 0.27 -0.30 0.32 2.07 0.43 -0.02 116.25 117.92 3hox h VAL 1352Ca -0.10 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.48 3hox h VAL 1352Cb 0.78 0.27 -0.07 0.00 -1.52 0.00 0.00 31.29 30.75 3hox h VAL 1352CO 0.17 0.00 -0.14 0.22 0.02 0.00 0.00 177.57 177.84 3hox h TYR 1353N -0.06 -0.33 -0.93 1.57 -0.00 -0.61 -2.26 116.97 114.36 3hox h TYR 1353Ca 0.30 0.03 0.19 0.00 -0.00 0.00 0.00 58.73 59.25 3hox h TYR 1353Cb 0.52 0.19 -0.08 0.00 -0.00 0.00 0.00 36.73 37.36 3hox h TYR 1353CO -0.58 -0.21 0.60 -0.91 -0.00 0.00 0.00 178.16 177.07 3hox h ASN 1354N -0.09 0.53 0.21 -2.11 -0.26 -0.50 0.86 115.58 114.22 3hox h ASN 1354Ca 0.16 0.05 -0.10 0.00 -0.56 0.00 0.00 56.30 55.85 3hox h ASN 1354Cb 0.32 -0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 37.53 3hox h ASN 1354CO -0.36 0.22 -0.38 1.62 -1.06 0.00 0.00 177.43 177.46 3hox h VAL 1355N 0.53 1.30 0.00 2.81 3.04 -1.14 -0.88 116.25 121.92 3hox h VAL 1355Ca 0.49 -1.44 0.00 0.00 -1.01 0.00 0.00 66.70 64.74 3hox h VAL 1355Cb 1.05 1.64 0.00 0.00 -2.01 0.00 0.00 31.29 31.96 3hox h VAL 1355CO -0.23 0.43 -0.56 0.40 -1.01 0.00 0.00 177.57 176.60 3hox h ILE 1356N 0.20 0.00 0.00 3.17 2.04 -0.91 -3.35 117.51 118.66 3hox h ILE 1356Ca 0.02 -0.99 -0.29 0.00 1.00 0.00 0.00 64.86 64.60 3hox h ILE 1356Cb 0.77 1.70 -0.05 0.00 -0.74 0.00 0.00 36.82 38.50 3hox h ILE 1356CO 0.06 0.00 -1.76 0.00 0.00 0.00 0.00 178.15 176.45 3hox n ALA 1357N -2.14 1.51 -0.22 1.87 0.00 0.10 -3.53 120.51 118.10 3hox n ALA 1357Ca 0.02 -0.81 0.06 0.00 0.00 0.00 0.00 53.44 52.71 3hox n ALA 1357Cb 0.54 -0.80 0.32 0.00 0.00 0.00 0.00 19.45 19.51 3hox n ALA 1357CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hox h SER 1358N 0.00 0.74 0.00 0.00 4.64 -1.29 0.57 113.55 118.21 3hox h SER 1358Ca -0.30 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 3hox h SER 1358Cb 2.02 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.96 3hox h SER 1358CO 0.07 0.48 0.00 -0.67 -0.87 0.00 0.00 176.83 175.84 3hox n ASP 1359N -4.48 0.00 0.00 4.97 4.64 -1.25 -4.85 116.55 115.57 3hox n ASP 1359Ca 0.12 -0.98 0.00 0.00 -1.38 0.00 0.00 54.79 52.55 3hox n ASP 1359Cb 0.22 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.30 3hox n ASP 1359CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3hox n GLY 1360N 0.31 1.85 3.36 0.27 0.00 0.20 -4.96 105.19 106.22 3hox n GLY 1360Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 3hox n GLY 1360CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3hox n SER 1361N 0.19 -2.07 -3.96 1.61 7.64 -1.23 -4.96 113.62 110.83 3hox n SER 1361Ca 0.00 -0.05 -0.17 0.00 1.01 0.00 0.00 58.87 59.66 3hox n SER 1361Cb 0.00 -1.09 -0.15 0.00 -1.01 0.00 0.00 64.21 61.97 3hox n SER 1361CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3hox s TYR 1362N -2.31 0.57 -0.04 1.43 5.04 -1.26 -4.51 117.35 116.26 3hox s TYR 1362Ca 0.60 -0.11 -0.02 0.00 -2.44 0.00 0.00 57.07 55.10 3hox s TYR 1362Cb -0.17 -0.39 0.03 0.00 0.35 0.00 0.00 41.96 41.78 3hox s TYR 1362CO 0.66 -0.03 0.05 0.08 -1.34 0.00 0.00 175.55 174.96 3hox s VAL 1363N -0.00 -0.06 -0.04 3.14 1.01 -1.26 -4.71 120.40 118.49 3hox s VAL 1363Ca 0.01 0.36 -0.31 0.00 0.00 0.00 0.00 61.98 62.04 3hox s VAL 1363Cb -0.04 -0.17 -0.09 0.00 0.00 0.00 0.00 36.38 36.08 3hox s VAL 1363CO -0.00 0.17 2.00 -3.20 0.00 0.00 0.00 175.10 174.07 3hox n ASN 1364N 5.05 3.85 0.00 3.32 2.85 -1.22 -4.84 115.26 124.27 3hox n ASN 1364Ca -0.09 0.79 0.00 0.00 -0.11 0.00 0.00 54.58 55.18 3hox n ASN 1364Cb 0.50 -1.50 0.00 0.00 1.24 0.00 0.00 39.78 40.03 3hox n ASN 1364CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3hox n TYR 1365N 8.08 0.00 -0.40 1.20 9.36 -1.26 -0.87 117.16 133.27 3hox n TYR 1365Ca 0.23 0.00 0.35 0.00 3.32 0.00 0.00 57.90 61.79 3hox n TYR 1365Cb 0.39 -0.49 0.62 0.00 -0.63 0.00 0.00 39.34 39.23 3hox n TYR 1365CO 0.00 0.00 0.00 0.07 0.22 0.00 0.00 176.86 177.15 3hox h ARG 1366N 0.00 0.07 0.56 2.98 0.11 -1.88 0.13 114.38 116.35 3hox h ARG 1366Ca 0.00 -0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 3hox h ARG 1366Cb 0.00 -0.02 0.01 0.00 1.11 0.00 0.00 29.97 31.07 3hox h ARG 1366CO 0.00 0.05 -0.27 0.45 0.10 0.00 0.00 179.97 180.30 3hox h HIS 1367N 0.08 -0.70 -0.55 4.08 3.86 -1.35 -0.88 115.15 119.69 3hox h HIS 1367Ca 0.83 -0.02 0.02 0.00 -1.16 0.00 0.00 60.37 60.05 3hox h HIS 1367Cb 2.43 0.23 -0.03 0.00 1.06 0.00 0.00 27.41 31.10 3hox h HIS 1367CO -0.01 -0.37 0.34 0.52 0.86 0.00 0.00 177.93 179.28 3hox h MET 1368N -1.05 0.66 0.00 2.45 2.86 -1.49 -2.89 114.93 115.48 3hox h MET 1368Ca -0.08 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 3hox h MET 1368Cb 0.64 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.15 3hox h MET 1368CO 0.13 0.44 0.00 0.00 1.06 0.00 0.00 176.91 178.53 3hox n ALA 1369N -2.28 -0.10 -0.13 6.32 0.00 0.35 -1.16 120.51 123.51 3hox n ALA 1369Ca 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.45 3hox n ALA 1369Cb 0.07 0.31 -0.03 0.00 0.00 0.00 0.00 19.45 19.80 3hox n ALA 1369CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3hox n LEU 1370N -2.20 -0.34 -0.13 0.00 -0.00 -0.34 -0.26 117.00 113.74 3hox n LEU 1370Ca 0.00 0.85 -0.07 0.00 -0.00 0.00 0.00 56.01 56.79 3hox n LEU 1370Cb 0.00 -0.21 -0.05 0.00 -0.00 0.00 0.00 43.42 43.15 3hox n LEU 1370CO 0.00 -0.60 0.50 0.25 -0.00 0.00 0.00 177.39 177.53 3hox h LEU 1371N 0.00 -1.02 -0.76 -1.96 5.85 -1.26 0.17 115.31 116.34 3hox h LEU 1371Ca 0.05 0.14 0.15 0.00 0.84 0.00 0.00 57.88 59.06 3hox h LEU 1371Cb 0.13 0.43 -0.14 0.00 0.37 0.00 0.00 40.66 41.45 3hox h LEU 1371CO -0.30 -0.17 -0.21 0.58 -0.34 0.00 0.00 178.44 178.00 3hox h VAL 1372N -0.13 0.22 -0.89 1.05 2.07 0.92 0.16 116.25 119.66 3hox h VAL 1372Ca 0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 3hox h VAL 1372Cb 0.27 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 3hox h VAL 1372CO -0.38 0.00 0.57 0.44 0.02 0.00 0.00 177.57 178.22 3hox h ASP 1373N -0.02 1.03 -0.06 0.57 3.32 0.60 -0.90 116.42 120.96 3hox h ASP 1373Ca 0.35 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.35 3hox h ASP 1373Cb 0.56 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 3hox h ASP 1373CO -0.78 0.76 -0.00 0.58 -1.72 0.00 0.00 179.24 178.08 3hox h VAL 1374N 1.21 1.10 0.00 -1.35 2.07 0.20 -0.93 116.25 118.54 3hox h VAL 1374Ca 0.32 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 3hox h VAL 1374Cb -0.11 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3hox h VAL 1374CO -0.07 0.12 -0.15 0.24 0.02 0.00 0.00 177.57 177.73 3hox h MET 1375N 0.19 0.00 0.00 1.57 2.86 0.30 -3.38 114.93 116.48 3hox h MET 1375Ca 0.05 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.45 3hox h MET 1375Cb 0.14 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.76 3hox h MET 1375CO 0.00 0.15 -1.91 0.25 1.06 0.00 0.00 176.91 176.47 3hox n THR 1376N -3.23 0.91 0.00 2.22 -2.24 -0.53 -1.54 114.28 109.88 3hox n THR 1376Ca 0.01 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 3hox n THR 1376Cb 0.45 -1.01 0.00 0.00 -2.10 0.00 0.00 70.33 67.67 3hox n THR 1376CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3hox n THR 1377N -2.90 0.00 -0.04 4.28 -2.24 -0.47 -1.40 114.28 111.52 3hox n THR 1377Ca -0.27 0.54 0.02 0.00 -2.27 0.00 0.00 64.05 62.07 3hox n THR 1377Cb 0.82 -0.80 0.04 0.00 -2.10 0.00 0.00 70.33 68.29 3hox n THR 1377CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hox n GLN 1378N -0.87 -0.01 0.00 -0.78 6.02 -1.26 -4.51 117.38 115.97 3hox n GLN 1378Ca 0.00 0.16 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 3hox n GLN 1378Cb 0.00 -0.26 0.00 0.00 1.02 0.00 0.00 30.24 31.00 3hox n GLN 1378CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hox n GLY 1379N -1.05 0.62 0.00 1.08 0.00 -0.49 -5.12 105.19 100.23 3hox n GLY 1379Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3hox n GLY 1379CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hox n GLY 1380N 0.00 1.95 2.37 -0.02 0.00 -1.22 -4.96 105.19 103.31 3hox n GLY 1380Ca 0.00 -0.18 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 3hox n GLY 1380CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hox n LEU 1381N 0.00 2.88 -4.75 0.99 4.77 -1.26 -4.18 117.00 115.44 3hox n LEU 1381Ca 0.00 -5.26 -0.41 0.00 -0.03 0.00 0.00 56.01 50.31 3hox n LEU 1381Cb 0.00 -0.33 -0.02 0.00 -2.33 0.00 0.00 43.42 40.73 3hox n LEU 1381CO 0.00 2.07 1.04 -0.89 -1.33 0.00 0.00 177.39 178.27 3hox s THR 1382N -2.20 2.81 0.23 -5.08 2.01 -0.59 -4.97 115.64 107.85 3hox s THR 1382Ca 0.39 0.71 0.01 0.00 0.31 0.00 0.00 61.69 63.11 3hox s THR 1382Cb 0.16 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 3hox s THR 1382CO -0.04 0.13 0.40 -0.94 -0.69 0.00 0.00 174.62 173.48 3hox s SER 1383N 0.09 6.35 -1.43 3.53 1.04 -1.26 -4.67 113.70 117.34 3hox s SER 1383Ca 0.55 0.31 -0.11 0.00 0.48 0.00 0.00 55.95 57.18 3hox s SER 1383Cb -0.40 -1.97 0.05 0.00 0.10 0.00 0.00 66.02 63.81 3hox s SER 1383CO 0.45 -0.08 2.30 0.52 0.98 0.00 0.00 173.24 177.42 3hox n VAL 1384N -0.97 4.04 -4.38 5.02 0.31 -0.56 -1.24 118.33 120.55 3hox n VAL 1384Ca -0.06 -3.41 -0.20 0.00 -0.01 0.00 0.00 64.34 60.66 3hox n VAL 1384Cb 0.55 -2.49 -0.10 0.00 -0.91 0.00 0.00 33.84 30.89 3hox n VAL 1384CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3hox s THR 1385N 1.82 0.58 -0.28 2.52 2.01 -1.26 -4.82 115.64 116.22 3hox s THR 1385Ca 0.50 -2.00 0.28 0.00 0.31 0.00 0.00 61.69 60.78 3hox s THR 1385Cb 0.14 -2.57 0.33 0.00 0.01 0.00 0.00 72.50 70.42 3hox s THR 1385CO -0.06 0.00 1.80 0.08 -0.69 0.00 0.00 174.62 175.75 3hox h ARG 1386N 2.18 0.00 0.20 4.92 0.11 -1.97 -2.37 114.38 117.45 3hox h ARG 1386Ca -0.36 0.00 -0.33 0.00 0.10 0.00 0.00 59.98 59.38 3hox h ARG 1386Cb 1.25 0.00 0.02 0.00 1.11 0.00 0.00 29.97 32.35 3hox h ARG 1386CO 0.58 0.00 -1.59 0.45 0.10 0.00 0.00 179.97 179.52 3hox h HIS 1387N 0.00 0.79 0.00 4.08 3.86 -1.94 -3.41 115.15 118.53 3hox h HIS 1387Ca 0.00 -0.57 0.00 0.00 -1.16 0.00 0.00 60.37 58.64 3hox h HIS 1387Cb 0.64 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.08 3hox h HIS 1387CO 0.00 1.62 0.00 0.41 0.86 0.00 0.00 177.93 180.82 3hox n GLY 1388N 1.80 0.77 0.20 2.45 0.00 -0.89 -4.58 105.19 104.94 3hox n GLY 1388Ca -0.22 -0.01 0.19 0.00 0.00 0.00 0.00 46.02 45.98 3hox n GLY 1388CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3hox n PHE 1389N 0.00 0.71 0.51 1.61 1.16 -0.37 -0.89 117.46 120.19 3hox n PHE 1389Ca 0.00 0.75 0.04 0.00 -1.87 0.00 0.00 57.45 56.37 3hox n PHE 1389Cb 0.00 -1.16 0.25 0.00 -1.61 0.00 0.00 39.48 36.95 3hox n PHE 1389CO 0.00 0.00 0.00 -1.71 -1.87 0.00 0.00 176.76 173.18 3hox n ASN 1390N -4.46 0.00 -0.80 5.98 5.15 -1.23 -2.37 115.26 117.53 3hox n ASN 1390Ca 0.23 -0.24 0.07 0.00 -0.60 0.00 0.00 54.58 54.04 3hox n ASN 1390Cb 0.78 -0.01 0.19 0.00 -0.53 0.00 0.00 39.78 40.21 3hox n ASN 1390CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3hox n ARG 1391N -1.01 2.92 -0.91 1.20 1.74 -0.07 -4.93 116.66 115.59 3hox n ARG 1391Ca 0.06 -2.26 -0.07 0.00 -0.77 0.00 0.00 57.85 54.81 3hox n ARG 1391Cb 0.03 -1.40 0.04 0.00 -1.02 0.00 0.00 32.46 30.11 3hox n ARG 1391CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3hox n SER 1392N 0.54 0.24 0.00 0.55 3.41 -1.00 -4.96 113.62 112.39 3hox n SER 1392Ca 0.15 -1.25 0.04 0.00 -0.26 0.00 0.00 58.87 57.55 3hox n SER 1392Cb 0.53 -0.23 0.22 0.00 -0.26 0.00 0.00 64.21 64.47 3hox n SER 1392CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3hox n ASN 1393N -3.09 0.00 -4.42 4.04 3.02 -1.26 -4.86 115.26 108.69 3hox n ASN 1393Ca 0.05 -1.12 -0.34 0.00 -0.03 0.00 0.00 54.58 53.14 3hox n ASN 1393Cb 0.17 0.00 0.10 0.00 -0.61 0.00 0.00 39.78 39.44 3hox n ASN 1393CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3hox n THR 1394N -0.67 0.57 -0.65 3.41 -2.24 -1.26 -4.87 114.28 108.56 3hox n THR 1394Ca 0.06 -0.27 -0.31 0.00 -2.27 0.00 0.00 64.05 61.26 3hox n THR 1394Cb 0.03 -0.64 0.18 0.00 -2.10 0.00 0.00 70.33 67.80 3hox n THR 1394CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hox n GLY 1395N 1.62 -1.75 0.11 3.38 0.00 -1.26 -4.74 105.19 102.54 3hox n GLY 1395Ca 0.07 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 45.10 3hox n GLY 1395CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hox h ALA 1396N -2.06 0.14 -0.60 4.61 0.00 -1.91 -1.42 119.26 118.01 3hox h ALA 1396Ca -0.51 -0.33 0.07 0.00 0.00 0.00 0.00 54.91 54.14 3hox h ALA 1396Cb 1.31 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 3hox h ALA 1396CO 0.41 0.02 0.30 -0.07 0.00 0.00 0.00 179.25 179.90 3hox h LEU 1397N -0.19 0.40 0.31 0.00 3.38 -1.97 0.50 115.31 117.73 3hox h LEU 1397Ca 0.01 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3hox h LEU 1397Cb 0.69 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3hox h LEU 1397CO 0.03 0.26 -0.23 -0.03 0.09 0.00 0.00 178.44 178.56 3hox h MET 1398N 0.55 -0.49 -0.99 1.13 4.05 -1.90 -2.97 114.93 114.31 3hox h MET 1398Ca 0.28 0.03 0.17 0.00 -0.28 0.00 0.00 59.70 59.91 3hox h MET 1398Cb 0.23 0.11 -0.10 0.00 -0.80 0.00 0.00 31.60 31.04 3hox h MET 1398CO -0.21 -0.33 0.60 0.00 0.23 0.00 0.00 176.91 177.20 3hox h ARG 1399N -0.51 0.77 0.00 0.39 3.08 -0.97 -1.44 114.38 115.69 3hox h ARG 1399Ca -0.04 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3hox h ARG 1399Cb 0.42 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.30 3hox h ARG 1399CO 0.02 0.51 0.00 0.00 -1.07 0.00 0.00 179.97 179.42 3hox n SER 1401N -2.05 3.00 -3.65 0.00 3.41 -0.54 -3.70 113.62 110.10 3hox n SER 1401Ca -0.00 -2.44 -0.05 0.00 -0.26 0.00 0.00 58.87 56.12 3hox n SER 1401Cb 0.06 -0.59 -0.06 0.00 -0.26 0.00 0.00 64.21 63.36 3hox n SER 1401CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3hox s PHE 1402N -1.62 -1.16 0.00 7.33 5.36 -0.93 -4.89 117.98 122.06 3hox s PHE 1402Ca 0.22 2.17 0.00 0.00 -0.96 0.00 0.00 56.93 58.36 3hox s PHE 1402Cb 0.17 0.69 0.00 0.00 -0.34 0.00 0.00 43.02 43.54 3hox s PHE 1402CO 0.06 -0.58 0.00 0.39 -1.46 0.00 0.00 175.22 173.63 3hox n GLU 1403N 4.80 0.00 -0.44 10.12 -0.58 -1.26 -4.17 120.64 129.11 3hox n GLU 1403Ca -0.17 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.62 3hox n GLU 1403Cb 0.55 0.00 0.22 0.00 -0.57 0.00 0.00 31.44 31.64 3hox n GLU 1403CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3hox n GLU 1404N 0.00 2.92 0.00 3.49 1.02 -1.26 -4.83 120.64 121.99 3hox n GLU 1404Ca 0.00 -1.75 0.00 0.00 -0.02 0.00 0.00 57.16 55.39 3hox n GLU 1404Cb 0.00 -1.78 0.00 0.00 -0.02 0.00 0.00 31.44 29.64 3hox n GLU 1404CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3hox n THR 1405N 0.47 0.00 -0.04 2.62 -1.04 -1.24 -0.65 114.28 114.39 3hox n THR 1405Ca 0.16 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 62.02 3hox n THR 1405Cb 0.68 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 69.12 3hox n THR 1405CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3hox h VAL 1406N 0.00 1.37 -0.75 12.58 2.07 -1.88 -2.80 116.25 126.84 3hox h VAL 1406Ca 0.00 -1.61 0.16 0.00 0.82 0.00 0.00 66.70 66.07 3hox h VAL 1406Cb 0.00 2.07 -0.11 0.00 -1.52 0.00 0.00 31.29 31.73 3hox h VAL 1406CO 0.00 0.48 0.21 -0.33 0.02 0.00 0.00 177.57 177.95 3hox h GLU 1407N 0.04 0.29 -0.40 1.57 3.07 -1.29 0.11 114.58 117.98 3hox h GLU 1407Ca -0.00 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 3hox h GLU 1407Cb 0.93 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.76 3hox h GLU 1407CO 0.07 0.19 0.20 0.82 -1.40 0.00 0.00 179.01 178.89 3hox h ILE 1408N 0.30 1.17 0.00 3.13 2.04 -1.30 -2.51 117.51 120.34 3hox h ILE 1408Ca 0.43 -0.49 -0.07 0.00 1.00 0.00 0.00 64.86 65.73 3hox h ILE 1408Cb 0.73 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 3hox h ILE 1408CO -0.50 0.19 -0.33 -0.07 0.00 0.00 0.00 178.15 177.43 3hox h LEU 1409N 0.51 0.00 0.23 1.44 3.38 -0.83 -1.16 115.31 118.87 3hox h LEU 1409Ca 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3hox h LEU 1409Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3hox h LEU 1409CO -0.02 0.33 -0.11 -0.26 0.09 0.00 0.00 178.44 178.48 3hox h PHE 1410N 0.00 -0.28 0.00 1.13 0.05 -0.48 -2.48 116.94 114.89 3hox h PHE 1410Ca -0.00 -0.01 -0.00 0.00 3.82 0.00 0.00 57.97 61.78 3hox h PHE 1410Cb 0.66 0.09 -0.00 0.00 2.00 0.00 0.00 35.95 38.70 3hox h PHE 1410CO 0.00 0.06 -0.00 1.49 -0.18 0.00 0.00 178.31 179.68 3hox h GLU 1411N -0.67 0.00 0.03 1.51 4.57 -1.34 -1.64 114.58 117.04 3hox h GLU 1411Ca -0.03 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3hox h GLU 1411Cb 0.47 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 3hox h GLU 1411CO 0.05 0.00 -0.01 0.00 -1.18 0.00 0.00 179.01 177.87 3hox h ALA 1412N 2.00 -0.04 0.00 2.92 0.00 -0.76 -2.45 119.26 120.92 3hox h ALA 1412Ca -0.00 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 3hox h ALA 1412Cb 0.05 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3hox h ALA 1412CO 0.00 -0.38 -0.54 0.78 0.00 0.00 0.00 179.25 179.10 3hox h GLY 1413N -0.32 0.00 1.97 0.00 0.00 -1.01 -1.45 103.07 102.26 3hox h GLY 1413Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 3hox h GLY 1413CO 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 176.54 176.11 3hox h ALA 1414N 1.46 1.24 -0.23 3.60 0.00 -1.29 -2.89 119.26 121.16 3hox h ALA 1414Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3hox h ALA 1414Cb 1.13 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3hox h ALA 1414CO 0.07 0.56 0.00 0.43 0.00 0.00 0.00 179.25 180.31 3hox n SER 1415N -4.01 3.27 -4.00 0.00 7.64 -0.93 -4.72 113.62 110.87 3hox n SER 1415Ca -0.02 -2.68 -0.35 0.00 1.01 0.00 0.00 58.87 56.84 3hox n SER 1415Cb 0.47 -0.40 -0.01 0.00 -1.01 0.00 0.00 64.21 63.26 3hox n SER 1415CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hox n ALA 1416N -0.37 -2.16 -0.87 -0.43 0.00 -0.76 -4.90 120.51 111.03 3hox n ALA 1416Ca 0.16 -0.44 -0.30 0.00 0.00 0.00 0.00 53.44 52.86 3hox n ALA 1416Cb 0.69 -1.66 0.16 0.00 0.00 0.00 0.00 19.45 18.64 3hox n ALA 1416CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3hox s GLU 1417N -6.87 0.99 -0.13 0.00 2.02 -0.62 -4.64 118.70 109.45 3hox s GLU 1417Ca 0.29 1.24 0.00 0.00 0.02 0.00 0.00 54.97 56.53 3hox s GLU 1417Cb -0.16 -1.75 0.02 0.00 0.10 0.00 0.00 34.13 32.34 3hox s GLU 1417CO 0.78 -2.55 -0.13 -1.17 0.02 0.00 0.00 175.26 172.22 3hox s LEU 1418N -6.51 1.57 -0.13 1.80 2.96 -1.26 -1.09 118.68 116.02 3hox s LEU 1418Ca 0.65 -0.43 -0.14 0.00 -0.22 0.00 0.00 54.13 54.00 3hox s LEU 1418Cb -0.21 -1.07 -0.05 0.00 0.50 0.00 0.00 46.19 45.36 3hox s LEU 1418CO 0.58 -0.06 0.31 -0.62 -1.32 0.00 0.00 176.35 175.24 3hox s ASP 1419N 1.44 6.51 0.30 3.68 -1.08 -0.20 -4.92 116.67 122.38 3hox s ASP 1419Ca 0.03 0.60 0.03 0.00 -0.52 0.00 0.00 52.55 52.68 3hox s ASP 1419Cb -0.13 -2.19 0.46 0.00 -1.46 0.00 0.00 42.92 39.60 3hox s ASP 1419CO -0.08 0.16 1.77 0.44 0.52 0.00 0.00 175.17 177.98 3hox h ASP 1420N 6.19 0.51 -2.98 -0.34 3.32 -1.90 -2.73 116.42 118.49 3hox h ASP 1420Ca -0.44 -0.14 -0.24 0.00 0.02 0.00 0.00 57.03 56.23 3hox h ASP 1420Cb 1.18 -0.14 0.04 0.00 0.22 0.00 0.00 39.33 40.64 3hox h ASP 1420CO 0.72 0.69 -0.36 0.00 -1.72 0.00 0.00 179.24 178.56 3hox n ARG 1422N -2.73 1.24 -2.40 0.00 1.74 -1.26 -4.84 116.66 108.40 3hox n ARG 1422Ca -0.05 -0.05 -0.33 0.00 -0.77 0.00 0.00 57.85 56.65 3hox n ARG 1422Cb 0.56 -1.32 -0.03 0.00 -1.02 0.00 0.00 32.46 30.66 3hox n ARG 1422CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3hox s GLY 1423N -2.98 2.24 0.06 -0.13 0.00 -1.26 -4.86 107.32 100.38 3hox s GLY 1423Ca 0.03 0.37 -0.28 0.00 0.00 0.00 0.00 44.72 44.84 3hox s GLY 1423CO 0.69 0.67 1.54 -2.08 0.00 0.00 0.00 173.10 173.92 3hox h VAL 1424N 1.08 0.64 -0.78 1.40 2.07 -1.93 -2.96 116.25 115.76 3hox h VAL 1424Ca -0.48 -0.19 0.09 0.00 0.82 0.00 0.00 66.70 66.95 3hox h VAL 1424Cb 1.20 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 31.63 3hox h VAL 1424CO 0.60 0.04 0.43 0.28 0.02 0.00 0.00 177.57 178.94 3hox h SER 1425N -0.61 0.61 -1.00 0.57 0.02 -1.95 -2.22 113.55 108.96 3hox h SER 1425Ca -0.05 0.05 0.27 0.00 -0.84 0.00 0.00 61.79 61.22 3hox h SER 1425Cb 0.45 -0.06 -0.13 0.00 0.14 0.00 0.00 62.40 62.79 3hox h SER 1425CO 0.09 0.35 0.58 -0.33 -1.14 0.00 0.00 176.83 176.37 3hox h GLU 1426N 0.73 0.48 0.24 3.45 4.39 -1.85 0.26 114.58 122.27 3hox h GLU 1426Ca 0.38 -0.03 -0.33 0.00 0.34 0.00 0.00 59.36 59.72 3hox h GLU 1426Cb 0.36 -0.11 0.03 0.00 -0.10 0.00 0.00 28.75 28.93 3hox h GLU 1426CO -0.25 0.32 -1.47 -0.91 -1.16 0.00 0.00 179.01 175.53 3hox h ASN 1427N 0.49 0.78 -0.81 1.42 2.35 -1.40 -2.52 115.58 115.90 3hox h ASN 1427Ca 0.67 -0.93 0.20 0.00 -0.55 0.00 0.00 56.30 55.69 3hox h ASN 1427Cb 1.36 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 39.43 3hox h ASN 1427CO -0.52 1.70 0.56 0.58 -1.65 0.00 0.00 177.43 178.10 3hox h VAL 1428N 0.09 0.68 0.12 2.81 2.07 -0.43 1.73 116.25 123.32 3hox h VAL 1428Ca -0.26 -0.08 -0.28 0.00 0.82 0.00 0.00 66.70 66.90 3hox h VAL 1428Cb 2.11 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 3hox h VAL 1428CO 0.25 0.04 -1.30 0.40 0.02 0.00 0.00 177.57 176.99 3hox h ILE 1429N 0.24 1.43 0.00 4.57 2.04 -0.59 -3.29 117.51 121.91 3hox h ILE 1429Ca 0.40 -3.02 0.00 0.00 1.00 0.00 0.00 64.86 63.24 3hox h ILE 1429Cb 1.22 2.90 0.00 0.00 -0.74 0.00 0.00 36.82 40.21 3hox h ILE 1429CO -0.09 0.88 -0.53 0.18 0.00 0.00 0.00 178.15 178.58 3hox n LEU 1430N -3.51 0.58 -1.37 1.44 4.77 0.72 -4.96 117.00 114.67 3hox n LEU 1430Ca -0.10 0.17 -0.06 0.00 -0.03 0.00 0.00 56.01 55.99 3hox n LEU 1430Cb 1.03 -0.23 0.02 0.00 -2.33 0.00 0.00 43.42 41.91 3hox n LEU 1430CO 0.53 0.01 0.06 0.61 -1.33 0.00 0.00 177.39 177.27 3hox n GLY 1431N 1.41 0.51 3.36 -0.72 0.00 0.56 -5.05 105.19 105.25 3hox n GLY 1431Ca 0.04 -0.41 -0.26 0.00 0.00 0.00 0.00 46.02 45.39 3hox n GLY 1431CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hox s GLN 1432N -5.18 1.34 -0.12 1.61 -0.21 -0.87 -5.04 119.66 111.18 3hox s GLN 1432Ca 0.13 -1.36 -0.29 0.00 0.02 0.00 0.00 55.36 53.85 3hox s GLN 1432Cb -0.06 -1.63 -0.05 0.00 1.00 0.00 0.00 33.01 32.27 3hox s GLN 1432CO 0.19 0.37 1.82 1.41 -2.12 0.00 0.00 175.29 176.96 3hox s MET 1433N -2.35 3.84 0.58 2.91 -2.45 -1.26 -4.40 119.30 116.16 3hox s MET 1433Ca 0.14 2.07 -0.18 0.00 -1.25 0.00 0.00 55.69 56.47 3hox s MET 1433Cb -0.09 -4.12 -0.04 0.00 1.25 0.00 0.00 34.83 31.83 3hox s MET 1433CO 0.07 -1.27 1.14 0.00 1.05 0.00 0.00 175.02 176.01 3hox s ALA 1434N 5.34 2.62 -1.17 4.11 0.00 -1.26 -4.85 121.76 126.54 3hox s ALA 1434Ca 0.81 0.81 -0.21 0.00 0.00 0.00 0.00 51.96 53.37 3hox s ALA 1434Cb -0.32 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.37 3hox s ALA 1434CO 0.33 -0.95 1.90 -2.30 0.00 0.00 0.00 175.76 174.74 3hox n PRO 1435N -1.58 2.06 -3.76 0.00 -0.02 -1.26 -4.23 135.00 126.20 3hox n PRO 1435Ca 0.12 -2.59 -0.13 0.00 -2.02 0.00 0.00 63.50 58.89 3hox n PRO 1435Cb 0.51 -3.53 -0.12 0.00 -0.02 0.00 0.00 33.50 30.35 3hox n PRO 1435CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hox s ILE 1436N 7.99 -0.01 0.00 4.25 1.01 -1.25 -4.54 121.20 128.66 3hox s ILE 1436Ca 0.62 0.04 0.00 0.00 0.00 0.00 0.00 60.65 61.31 3hox s ILE 1436Cb 0.04 -0.39 0.00 0.00 0.01 0.00 0.00 42.46 42.11 3hox s ILE 1436CO 0.11 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.67 3hox n GLY 1437N 3.32 1.86 0.00 6.18 0.00 -1.17 0.24 105.19 115.61 3hox n GLY 1437Ca -0.16 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3hox n GLY 1437CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hox n THR 1438N 0.00 0.00 -0.07 2.61 -1.04 -1.26 0.34 114.28 114.86 3hox n THR 1438Ca 0.00 0.10 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 3hox n THR 1438Cb 0.00 -1.07 0.00 0.00 -1.82 0.00 0.00 70.33 67.44 3hox n THR 1438CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3hox n GLY 1439N -0.58 -0.04 0.43 3.41 0.00 0.67 -4.69 105.19 104.37 3hox n GLY 1439Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hox n GLY 1439CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hox n ALA 1440N -0.15 2.20 -3.85 4.61 0.00 0.15 -3.88 120.51 119.59 3hox n ALA 1440Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 3hox n ALA 1440Cb 0.10 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.56 3hox n ALA 1440CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3hox s PHE 1441N -1.15 0.03 0.20 0.00 -0.12 -1.26 -5.00 117.98 110.68 3hox s PHE 1441Ca 0.00 -0.40 0.10 0.00 -0.05 0.00 0.00 56.93 56.57 3hox s PHE 1441Cb 0.00 0.68 -0.04 0.00 -0.63 0.00 0.00 43.02 43.03 3hox s PHE 1441CO 0.00 -0.88 -0.19 -0.51 -0.05 0.00 0.00 175.22 173.59 3hox s ASP 1442N -3.32 3.04 -0.07 1.98 1.01 -1.26 -5.09 116.67 112.96 3hox s ASP 1442Ca 0.20 -0.93 0.05 0.00 0.71 0.00 0.00 52.55 52.58 3hox s ASP 1442Cb -0.02 -0.21 -0.00 0.00 1.01 0.00 0.00 42.92 43.70 3hox s ASP 1442CO 0.04 -0.00 -0.23 -0.69 0.21 0.00 0.00 175.17 174.50 3hox s VAL 1443N -2.21 1.91 0.04 -1.27 1.01 -1.26 -5.13 120.40 113.50 3hox s VAL 1443Ca 0.21 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.25 3hox s VAL 1443Cb -0.05 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 3hox s VAL 1443CO 0.09 0.53 -0.07 -0.04 0.00 0.00 0.00 175.10 175.62 3hox s MET 1444N 0.13 0.50 -0.28 2.72 -1.94 -1.26 -5.12 119.30 114.05 3hox s MET 1444Ca -0.11 -0.76 -0.27 0.00 -1.71 0.00 0.00 55.69 52.84 3hox s MET 1444Cb -0.15 -0.21 0.01 0.00 2.01 0.00 0.00 34.83 36.48 3hox s MET 1444CO 0.06 0.03 0.97 0.42 -0.01 0.00 0.00 175.02 176.49 3hox s ILE 1445N -1.51 4.66 -0.79 2.53 1.09 -1.26 -4.98 121.20 120.94 3hox s ILE 1445Ca -0.10 1.67 -0.20 0.00 -1.10 0.00 0.00 60.65 60.91 3hox s ILE 1445Cb -0.09 -4.29 0.10 0.00 -1.06 0.00 0.00 42.46 37.12 3hox s ILE 1445CO -0.00 -0.30 1.03 -0.62 -0.10 0.00 0.00 174.94 174.95 3hox s ASP 1446N 1.49 6.39 0.47 3.58 3.68 -1.26 -4.88 116.67 126.15 3hox s ASP 1446Ca 0.41 -1.53 0.28 0.00 2.13 0.00 0.00 52.55 53.84 3hox s ASP 1446Cb -0.14 -2.40 1.35 0.00 -1.45 0.00 0.00 42.92 40.28 3hox s ASP 1446CO 0.11 -1.24 1.78 -0.08 0.13 0.00 0.00 175.17 175.87 3hox h GLU 1447N 9.20 0.17 0.00 4.34 4.22 -1.95 -0.97 114.58 129.59 3hox h GLU 1447Ca -0.07 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.36 3hox h GLU 1447Cb 1.05 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.26 3hox h GLU 1447CO 1.15 0.11 0.00 -1.91 -2.18 0.00 0.00 179.01 176.18 3hox n GLU 1448N -4.41 0.00 -0.16 1.92 2.13 -1.26 -2.51 120.64 116.34 3hox n GLU 1448Ca 0.26 0.51 0.24 0.00 0.66 0.00 0.00 57.16 58.83 3hox n GLU 1448Cb 1.10 -1.48 0.65 0.00 0.27 0.00 0.00 31.44 31.98 3hox n GLU 1448CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3hox h SER 1449N 0.00 0.14 0.00 4.31 4.64 -1.90 0.23 113.55 120.97 3hox h SER 1449Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3hox h SER 1449Cb 0.00 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3hox h SER 1449CO 0.00 0.06 0.00 -0.11 -0.87 0.00 0.00 176.83 175.91 3hox n LEU 1450N -4.37 0.00 -0.04 5.97 7.94 -0.40 -2.48 117.00 123.62 3hox n LEU 1450Ca 0.17 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 55.00 3hox n LEU 1450Cb 0.80 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.72 3hox n LEU 1450CO 0.36 0.00 -0.74 0.55 -1.11 0.00 0.00 177.39 176.45 3hox n VAL 1451N -0.80 0.40 0.00 1.96 3.14 0.79 -4.46 118.33 119.37 3hox n VAL 1451Ca 0.03 -0.13 0.00 0.00 -2.96 0.00 0.00 64.34 61.28 3hox n VAL 1451Cb 0.01 -1.17 0.00 0.00 -1.06 0.00 0.00 33.84 31.62 3hox n VAL 1451CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 3hox n LYS 1452N -3.02 0.00 -3.37 1.45 5.02 -1.04 -3.33 118.16 113.89 3hox n LYS 1452Ca -0.13 0.37 -0.42 0.00 -2.02 0.00 0.00 58.31 56.11 3hox n LYS 1452Cb 0.62 -1.55 -0.02 0.00 -0.02 0.00 0.00 35.03 34.06 3hox n LYS 1452CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3hox n TYR 1453N -1.36 4.44 0.00 2.13 0.53 -1.14 -4.91 117.16 116.86 3hox n TYR 1453Ca 0.00 -3.76 0.00 0.00 -1.02 0.00 0.00 57.90 53.12 3hox n TYR 1453Cb 0.05 -1.44 0.00 0.00 -1.03 0.00 0.00 39.34 36.93 3hox n TYR 1453CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3hox n MET 1454N 2.27 0.00 0.00 -0.72 0.00 -1.21 -5.00 117.12 112.46 3hox n MET 1454Ca 0.24 0.00 0.09 0.00 0.00 0.00 0.00 57.70 58.03 3hox n MET 1454Cb 0.38 0.00 0.56 0.00 0.00 0.00 0.00 33.22 34.15 3hox n MET 1454CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62