#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hov n GLY 3 N 0.00 0.80 0.00 7.55 0.00 -1.26 -5.00 105.19 107.28 3hov n GLY 3 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3hov n GLY 3 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hov n GLN 4 N -2.33 0.00 -1.33 1.61 6.02 -1.26 -4.67 117.38 115.41 3hov n GLN 4 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3hov n GLN 4 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 3hov n GLN 4 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 3hov n GLN 5 N 0.00 -3.59 -1.99 -1.09 7.27 -1.26 -4.94 117.38 111.78 3hov n GLN 5 Ca 0.00 2.75 -0.34 0.00 0.07 0.00 0.00 57.00 59.48 3hov n GLN 5 Cb 0.00 -3.34 0.03 0.00 2.41 0.00 0.00 30.24 29.33 3hov n GLN 5 CO 0.00 0.00 0.00 -0.47 0.07 0.00 0.00 177.06 176.66 3hov s TYR 6 N -4.66 2.63 -0.06 3.69 5.04 -1.26 -5.06 117.35 117.67 3hov s TYR 6 Ca 0.00 1.55 -0.02 0.00 -2.44 0.00 0.00 57.07 56.15 3hov s TYR 6 Cb 0.00 -3.24 0.04 0.00 0.35 0.00 0.00 41.96 39.11 3hov s TYR 6 CO 0.00 -1.67 0.12 0.45 -1.34 0.00 0.00 175.55 173.11 3hov s SER 7 N -2.17 0.37 0.27 4.32 0.15 -1.26 -5.03 113.70 110.35 3hov s SER 7 Ca 0.70 0.23 0.24 0.00 0.70 0.00 0.00 55.95 57.82 3hov s SER 7 Cb -0.22 0.12 0.98 0.00 -1.71 0.00 0.00 66.02 65.18 3hov s SER 7 CO 0.34 -0.19 1.73 -1.54 1.20 0.00 0.00 173.24 174.79 3hov n SER 8 N 4.70 0.74 -4.72 5.45 3.41 -1.26 -4.82 113.62 117.12 3hov n SER 8 Ca -0.17 0.67 -0.42 0.00 -0.26 0.00 0.00 58.87 58.68 3hov n SER 8 Cb 0.51 -0.83 -0.03 0.00 -0.26 0.00 0.00 64.21 63.60 3hov n SER 8 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hov n ALA 9 N -1.80 2.62 -1.68 7.33 0.00 -1.26 -4.91 120.51 120.81 3hov n ALA 9 Ca 0.02 0.40 -0.41 0.00 0.00 0.00 0.00 53.44 53.45 3hov n ALA 9 Cb 0.26 -2.49 0.01 0.00 0.00 0.00 0.00 19.45 17.23 3hov n ALA 9 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3hov n PRO 10 N 3.51 1.81 -3.87 0.00 -0.04 -1.26 -4.97 135.00 130.18 3hov n PRO 10 Ca 0.14 0.64 -0.36 0.00 -0.04 0.00 0.00 63.50 63.89 3hov n PRO 10 Cb 0.35 -2.31 -0.14 0.00 -0.04 0.00 0.00 33.50 31.36 3hov n PRO 10 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3hov s LEU 11 N -1.47 3.35 0.47 1.53 0.20 -1.26 -5.10 118.68 116.40 3hov s LEU 11 Ca 0.61 -0.67 0.02 0.00 0.69 0.00 0.00 54.13 54.79 3hov s LEU 11 Cb -0.52 -1.77 -0.02 0.00 -0.43 0.00 0.00 46.19 43.45 3hov s LEU 11 CO 0.58 -0.12 0.04 -0.13 -0.29 0.00 0.00 176.35 176.43 3hov s ARG 12 N 1.44 2.10 0.31 1.98 0.52 -1.26 -5.15 118.95 118.88 3hov s ARG 12 Ca 0.03 -2.31 0.07 0.00 -0.52 0.00 0.00 55.73 52.99 3hov s ARG 12 Cb -0.16 -1.25 -0.02 0.00 0.52 0.00 0.00 34.95 34.03 3hov s ARG 12 CO -0.01 -0.38 0.38 0.95 0.02 0.00 0.00 175.30 176.26 3hov s THR 13 N -2.97 4.21 -0.17 0.02 -4.23 -1.26 -5.07 115.64 106.16 3hov s THR 13 Ca 0.13 -1.13 -0.23 0.00 -1.18 0.00 0.00 61.69 59.28 3hov s THR 13 Cb 0.02 -3.44 -0.02 0.00 1.34 0.00 0.00 72.50 70.40 3hov s THR 13 CO 0.07 -0.21 0.74 -0.69 -0.54 0.00 0.00 174.62 173.99 3hov s VAL 14 N -2.17 4.95 -0.19 2.29 1.01 -1.26 -4.94 120.40 120.10 3hov s VAL 14 Ca 0.41 1.45 0.02 0.00 0.00 0.00 0.00 61.98 63.86 3hov s VAL 14 Cb -0.08 -4.06 -0.22 0.00 0.00 0.00 0.00 36.38 32.02 3hov s VAL 14 CO 0.29 0.08 0.08 0.29 0.00 0.00 0.00 175.10 175.85 3hov n LYS 15 N 4.98 0.69 -4.09 2.72 4.76 -1.26 -5.00 118.16 120.96 3hov n LYS 15 Ca 0.02 0.18 -0.07 0.00 -2.87 0.00 0.00 58.31 55.57 3hov n LYS 15 Cb 0.49 -1.61 -0.10 0.00 -1.84 0.00 0.00 35.03 31.98 3hov n LYS 15 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3hov s GLU 16 N -2.54 0.63 -0.17 1.97 2.02 -1.26 -4.24 118.70 115.11 3hov s GLU 16 Ca -0.25 -1.23 0.00 0.00 0.02 0.00 0.00 54.97 53.51 3hov s GLU 16 Cb 0.08 0.21 0.04 0.00 0.10 0.00 0.00 34.13 34.56 3hov s GLU 16 CO 0.70 -0.12 -0.10 0.08 0.02 0.00 0.00 175.26 175.85 3hov s VAL 17 N -3.93 1.44 -0.49 2.63 1.01 -0.88 -4.94 120.40 115.24 3hov s VAL 17 Ca 0.08 -0.77 -0.17 0.00 0.00 0.00 0.00 61.98 61.11 3hov s VAL 17 Cb 0.08 -1.50 0.07 0.00 0.00 0.00 0.00 36.38 35.03 3hov s VAL 17 CO -0.09 0.23 0.50 -1.58 0.00 0.00 0.00 175.10 174.16 3hov s GLN 18 N 1.50 3.04 0.25 2.72 -0.44 -1.26 -1.18 119.66 124.30 3hov s GLN 18 Ca 0.01 -1.15 -0.20 0.00 -2.50 0.00 0.00 55.36 51.52 3hov s GLN 18 Cb -0.15 -4.12 -0.09 0.00 -1.64 0.00 0.00 33.01 27.01 3hov s GLN 18 CO -0.09 -1.13 0.76 -0.06 0.50 0.00 0.00 175.29 175.28 3hov s PHE 19 N 2.10 3.62 0.00 1.67 0.40 -0.58 -5.01 117.98 120.17 3hov s PHE 19 Ca 0.09 1.44 0.00 0.00 -0.60 0.00 0.00 56.93 57.86 3hov s PHE 19 Cb -0.22 -2.66 0.00 0.00 0.51 0.00 0.00 43.02 40.65 3hov s PHE 19 CO 0.09 0.28 0.00 0.41 0.70 0.00 0.00 175.22 176.70 3hov n GLY 20 N 0.57 3.41 3.00 4.36 0.00 -1.25 -3.79 105.19 111.49 3hov n GLY 20 Ca -0.01 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.14 3hov n GLY 20 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hov s LEU 21 N 0.00 2.16 0.09 0.99 1.43 -0.07 -4.32 118.68 118.96 3hov s LEU 21 Ca 0.00 -0.36 -0.30 0.00 -1.03 0.00 0.00 54.13 52.43 3hov s LEU 21 Cb 0.00 -0.13 -0.06 0.00 0.03 0.00 0.00 46.19 46.04 3hov s LEU 21 CO 0.00 -0.13 1.13 -0.36 0.23 0.00 0.00 176.35 177.22 3hov s PHE 22 N -0.92 3.52 0.06 0.29 0.40 -1.26 -4.74 117.98 115.33 3hov s PHE 22 Ca -0.07 1.45 -0.21 0.00 -0.60 0.00 0.00 56.93 57.50 3hov s PHE 22 Cb -0.07 -3.33 -0.06 0.00 0.51 0.00 0.00 43.02 40.07 3hov s PHE 22 CO -0.00 -0.88 0.64 -1.54 0.70 0.00 0.00 175.22 174.14 3hov s SER 23 N 0.70 7.11 0.59 1.36 1.04 -1.26 -4.87 113.70 118.38 3hov s SER 23 Ca 0.55 1.32 0.29 0.00 0.48 0.00 0.00 55.95 58.58 3hov s SER 23 Cb -0.28 -2.40 1.49 0.00 0.10 0.00 0.00 66.02 64.93 3hov s SER 23 CO 0.31 0.17 1.90 1.55 0.98 0.00 0.00 173.24 178.15 3hov h PRO 24 N 5.01 0.00 0.24 4.02 0.13 -1.94 0.37 132.00 139.83 3hov h PRO 24 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 3hov h PRO 24 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3hov h PRO 24 CO 0.67 0.00 -0.12 0.93 -0.23 0.00 0.00 178.00 179.25 3hov h GLU 25 N 0.00 -0.32 -0.20 0.86 3.07 -1.97 -2.29 114.58 113.74 3hov h GLU 25 Ca 0.20 0.02 0.04 0.00 -0.50 0.00 0.00 59.36 59.12 3hov h GLU 25 Cb 1.13 0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 29.07 3hov h GLU 25 CO -0.00 -0.05 -0.06 1.49 -1.40 0.00 0.00 179.01 178.99 3hov h GLU 26 N -0.55 -0.01 -0.83 2.33 4.81 -1.32 0.08 114.58 119.08 3hov h GLU 26 Ca -0.03 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.38 3hov h GLU 26 Cb 0.41 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.68 3hov h GLU 26 CO 0.05 -0.01 0.33 0.28 -0.73 0.00 0.00 179.01 178.94 3hov h VAL 27 N -0.01 0.54 -0.20 0.32 2.07 -1.41 0.82 116.25 118.39 3hov h VAL 27 Ca 0.10 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 3hov h VAL 27 Cb 0.16 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 3hov h VAL 27 CO -0.21 0.07 0.08 -0.09 0.02 0.00 0.00 177.57 177.45 3hov h ARG 28 N 0.40 0.29 -0.14 1.57 2.43 -0.65 -2.54 114.38 115.74 3hov h ARG 28 Ca 0.49 -0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.66 3hov h ARG 28 Cb 0.86 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 30.30 3hov h ARG 28 CO -0.49 0.35 -0.21 0.00 -1.51 0.00 0.00 179.97 178.11 3hov h ALA 29 N 0.93 -0.15 -0.22 2.80 0.00 0.24 -3.01 119.26 119.85 3hov h ALA 29 Ca 0.07 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3hov h ALA 29 Cb 0.16 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3hov h ALA 29 CO -0.01 -0.66 0.08 0.82 0.00 0.00 0.00 179.25 179.48 3hov h ILE 30 N -0.26 1.18 -0.86 0.00 2.04 -0.68 -3.46 117.51 115.47 3hov h ILE 30 Ca 0.10 -0.56 -0.73 0.00 1.00 0.00 0.00 64.86 64.68 3hov h ILE 30 Cb 0.41 1.14 0.02 0.00 -0.74 0.00 0.00 36.82 37.65 3hov h ILE 30 CO -0.29 0.18 0.37 -0.24 0.00 0.00 0.00 178.15 178.17 3hov n SER 31 N -4.79 0.61 -0.89 1.72 2.88 -0.96 -4.83 113.62 107.37 3hov n SER 31 Ca -0.04 1.02 0.12 0.00 -1.33 0.00 0.00 58.87 58.64 3hov n SER 31 Cb 0.14 -0.77 0.11 0.00 -0.75 0.00 0.00 64.21 62.94 3hov n SER 31 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3hov n VAL 32 N 2.57 0.00 -3.72 2.46 0.24 0.65 -4.93 118.33 115.60 3hov n VAL 32 Ca 0.23 -0.46 -0.14 0.00 -2.04 0.00 0.00 64.34 61.93 3hov n VAL 32 Cb -0.00 1.42 -0.09 0.00 -1.47 0.00 0.00 33.84 33.70 3hov n VAL 32 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hov s ALA 33 N -2.05 -1.01 0.03 2.33 0.00 -1.26 -4.72 121.76 115.09 3hov s ALA 33 Ca 0.28 0.82 -0.20 0.00 0.00 0.00 0.00 51.96 52.85 3hov s ALA 33 Cb 0.20 -0.27 -0.15 0.00 0.00 0.00 0.00 23.12 22.90 3hov s ALA 33 CO 0.33 -0.25 1.31 0.87 0.00 0.00 0.00 175.76 178.02 3hov h LYS 34 N 4.47 0.36 -5.17 0.00 1.79 -1.86 -2.08 116.57 114.08 3hov h LYS 34 Ca -0.28 -0.21 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 3hov h LYS 34 Cb 1.17 0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 31.80 3hov h LYS 34 CO 0.33 0.78 -1.19 -0.89 -1.08 0.00 0.00 179.45 177.41 3hov n ILE 35 N -4.52-11.77 0.00 1.86 5.41 -1.24 -4.36 119.36 104.73 3hov n ILE 35 Ca -0.07 2.09 0.00 0.00 1.00 0.00 0.00 62.75 65.77 3hov n ILE 35 Cb 0.39 -6.58 0.00 0.00 -0.71 0.00 0.00 39.64 32.75 3hov n ILE 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3hov n ARG 36 N 1.11 2.28 -3.96 0.38 1.74 -1.16 -4.72 116.66 112.33 3hov n ARG 36 Ca -0.14 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.58 3hov n ARG 36 Cb 0.24 -0.88 -0.08 0.00 -1.02 0.00 0.00 32.46 30.72 3hov n ARG 36 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3hov s PHE 37 N -1.64 3.37 -2.00 -1.55 0.40 -1.26 -4.99 117.98 110.30 3hov s PHE 37 Ca 0.00 0.27 0.07 0.00 -0.60 0.00 0.00 56.93 56.67 3hov s PHE 37 Cb 0.00 -2.02 0.44 0.00 0.51 0.00 0.00 43.02 41.95 3hov s PHE 37 CO 0.00 0.39 1.28 -0.35 0.70 0.00 0.00 175.22 177.24 3hov n PRO 38 N 2.92 1.01 -2.65 0.24 -0.04 -1.26 -3.09 135.00 132.12 3hov n PRO 38 Ca -0.18 -0.01 -0.36 0.00 -0.04 0.00 0.00 63.50 62.92 3hov n PRO 38 Cb 0.53 -1.12 -0.05 0.00 -0.04 0.00 0.00 33.50 32.82 3hov n PRO 38 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3hov s GLU 39 N -2.00 4.21 0.00 0.54 8.01 -1.26 -4.77 118.70 123.44 3hov s GLU 39 Ca 0.11 1.38 -0.13 0.00 0.01 0.00 0.00 54.97 56.34 3hov s GLU 39 Cb 0.05 -2.46 -0.07 0.00 -4.31 0.00 0.00 34.13 27.34 3hov s GLU 39 CO 0.09 -0.07 0.83 1.15 0.01 0.00 0.00 175.26 177.27 3hov h THR 40 N 2.14 0.00 0.00 3.63 2.02 -1.90 -3.23 112.91 115.57 3hov h THR 40 Ca -0.48 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.50 3hov h THR 40 Cb 1.20 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 3hov h THR 40 CO 0.62 0.00 0.00 1.15 0.37 0.00 0.00 175.52 177.66 3hov n MET 41 N -3.84 0.00 -3.21 6.66 0.00 -1.26 -3.74 117.12 111.72 3hov n MET 41 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 57.70 57.52 3hov n MET 41 Cb 0.19 0.00 0.01 0.00 0.00 0.00 0.00 33.22 33.42 3hov n MET 41 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 3hov n ASP 42 N 0.00 -6.04 -4.24 3.17 8.00 -1.20 -4.22 116.55 112.02 3hov n ASP 42 Ca 0.00 0.22 -0.18 0.00 0.71 0.00 0.00 54.79 55.54 3hov n ASP 42 Cb 0.00 -1.53 -0.10 0.00 -0.02 0.00 0.00 41.12 39.47 3hov n ASP 42 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 3hov n GLU 43 N 0.82 0.05 -3.00 -1.24 0.28 -0.53 -1.68 120.64 115.35 3hov n GLU 43 Ca -0.03 -1.23 -0.13 0.00 -0.16 0.00 0.00 57.16 55.62 3hov n GLU 43 Cb 0.54 -3.09 0.06 0.00 1.43 0.00 0.00 31.44 30.39 3hov n GLU 43 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 3hov n THR 44 N 7.75 -5.76 0.00 3.84 -1.04 -1.26 -3.37 114.28 114.45 3hov n THR 44 Ca 0.34 -0.66 0.00 0.00 -2.04 0.00 0.00 64.05 61.69 3hov n THR 44 Cb 0.45 -4.97 0.00 0.00 -1.82 0.00 0.00 70.33 63.99 3hov n THR 44 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hov n GLN 45 N -3.19 0.00 -2.38 -2.82 6.02 -0.67 -5.02 117.38 109.32 3hov n GLN 45 Ca -0.16 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.41 3hov n GLN 45 Cb 0.62 -0.74 -0.02 0.00 1.02 0.00 0.00 30.24 31.12 3hov n GLN 45 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3hov s THR 46 N -1.86 4.16 -0.29 5.09 2.01 -1.22 -4.87 115.64 118.66 3hov s THR 46 Ca 0.00 1.44 -0.32 0.00 0.31 0.00 0.00 61.69 63.12 3hov s THR 46 Cb 0.00 -3.93 -0.08 0.00 0.01 0.00 0.00 72.50 68.50 3hov s THR 46 CO 0.00 -0.08 2.21 0.54 -0.69 0.00 0.00 174.62 176.60 3hov n ARG 47 N 6.15 1.48 0.00 4.92 1.74 -1.26 -1.45 116.66 128.24 3hov n ARG 47 Ca 0.13 0.40 0.00 0.00 -0.77 0.00 0.00 57.85 57.61 3hov n ARG 47 Cb 0.45 -2.83 0.00 0.00 -1.02 0.00 0.00 32.46 29.06 3hov n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hov n ALA 48 N 10.75 0.00 -3.72 7.54 0.00 -1.26 -4.91 120.51 128.91 3hov n ALA 48 Ca 0.36 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.62 3hov n ALA 48 Cb 0.33 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.61 3hov n ALA 48 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3hov s LYS 49 N 3.52 0.07 0.31 0.00 1.02 -1.26 -3.24 119.74 120.16 3hov s LYS 49 Ca 0.00 0.23 -0.28 0.00 0.02 0.00 0.00 55.97 55.94 3hov s LYS 49 Cb 0.00 -0.46 -0.09 0.00 -0.52 0.00 0.00 37.83 36.76 3hov s LYS 49 CO 0.00 -0.23 1.12 0.42 -0.92 0.00 0.00 175.35 175.73 3hov s ILE 50 N 1.56 3.41 0.00 2.17 1.01 -1.25 -4.77 121.20 123.33 3hov s ILE 50 Ca -0.03 1.35 0.00 0.00 0.00 0.00 0.00 60.65 61.97 3hov s ILE 50 Cb -0.13 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.51 3hov s ILE 50 CO -0.03 0.27 0.66 0.61 0.00 0.00 0.00 174.94 176.44 3hov n GLY 51 N 0.99 1.12 0.81 6.18 0.00 -1.26 -3.63 105.19 109.39 3hov n GLY 51 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 3hov n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hov n GLY 52 N 1.44 -0.06 3.81 -0.02 0.00 -1.26 -4.65 105.19 104.45 3hov n GLY 52 Ca 0.00 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 3hov n GLY 52 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hov s LEU 53 N -5.75 2.69 0.00 0.99 0.20 -1.18 -2.98 118.68 112.65 3hov s LEU 53 Ca -0.02 -1.33 0.00 0.00 0.69 0.00 0.00 54.13 53.47 3hov s LEU 53 Cb 0.00 -1.12 0.00 0.00 -0.43 0.00 0.00 46.19 44.65 3hov s LEU 53 CO 0.03 -0.87 0.00 -0.46 -0.29 0.00 0.00 176.35 174.76 3hov n ASN 54 N -1.47 0.00 -2.43 3.68 0.23 -1.26 -4.10 115.26 109.92 3hov n ASN 54 Ca -0.07 0.00 -0.07 0.00 -0.53 0.00 0.00 54.58 53.92 3hov n ASN 54 Cb 0.65 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 38.38 3hov n ASN 54 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 3hov n ASP 55 N 0.47 -4.64 -1.47 0.53 2.03 -1.26 -4.66 116.55 107.54 3hov n ASP 55 Ca 0.00 -0.32 0.01 0.00 0.52 0.00 0.00 54.79 55.01 3hov n ASP 55 Cb 0.00 -3.11 0.24 0.00 -0.72 0.00 0.00 41.12 37.53 3hov n ASP 55 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3hov n PRO 56 N -2.24 3.29 0.00 -0.67 -0.02 -1.26 -4.53 135.00 129.58 3hov n PRO 56 Ca -0.03 -2.05 0.00 0.00 -2.02 0.00 0.00 63.50 59.40 3hov n PRO 56 Cb 0.55 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 3hov n PRO 56 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hov n ARG 57 N 0.26 0.00 0.00 -0.52 1.74 -1.26 -4.74 116.66 112.13 3hov n ARG 57 Ca 0.21 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.29 3hov n ARG 57 Cb 0.93 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.37 3hov n ARG 57 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3hov n LEU 58 N 0.00 0.00 0.00 0.55 4.77 -1.26 -4.43 117.00 116.63 3hov n LEU 58 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3hov n LEU 58 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3hov n LEU 58 CO 0.00 -0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.49 3hov n GLY 59 N 0.30 -3.01 3.04 -0.72 0.00 -1.26 -4.74 105.19 98.80 3hov n GLY 59 Ca 0.00 -1.02 -0.26 0.00 0.00 0.00 0.00 46.02 44.74 3hov n GLY 59 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3hov n SER 60 N -0.45 2.58 0.00 1.61 2.88 -1.26 -4.61 113.62 114.38 3hov n SER 60 Ca 0.00 -2.89 0.00 0.00 -1.33 0.00 0.00 58.87 54.65 3hov n SER 60 Cb 0.00 0.48 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 3hov n SER 60 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 3hov n ILE 61 N -0.99 0.00 0.00 2.46 5.41 -1.26 -4.86 119.36 120.12 3hov n ILE 61 Ca -0.14 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.61 3hov n ILE 61 Cb 0.54 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.47 3hov n ILE 61 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 3hov n ASP 62 N 0.00 0.00 0.00 4.38 -0.08 -1.26 -3.36 116.55 116.23 3hov n ASP 62 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3hov n ASP 62 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 3hov n ASP 62 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3hov n ARG 63 N 0.00 0.00 -3.46 -0.67 1.74 -1.26 -4.77 116.66 108.24 3hov n ARG 63 Ca 0.00 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.85 3hov n ARG 63 Cb 0.00 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.32 3hov n ARG 63 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3hov s ASN 64 N 0.00 2.57 0.30 0.55 2.47 -1.21 -5.03 114.94 114.59 3hov s ASN 64 Ca 0.00 -1.17 0.23 0.00 0.42 0.00 0.00 52.86 52.34 3hov s ASN 64 Cb 0.00 0.06 1.01 0.00 -1.45 0.00 0.00 41.25 40.87 3hov s ASN 64 CO 0.00 -0.40 1.05 0.18 -3.72 0.00 0.00 177.10 174.21 3hov n LEU 65 N 5.10 0.13 -4.06 3.21 4.77 -1.26 -4.56 117.00 120.33 3hov n LEU 65 Ca -0.02 0.92 -0.37 0.00 -0.03 0.00 0.00 56.01 56.51 3hov n LEU 65 Cb 0.44 -0.45 0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3hov n LEU 65 CO 0.04 -0.99 -0.61 1.17 -1.33 0.00 0.00 177.39 175.67 3hov n LYS 66 N -3.98 0.00 0.00 3.23 0.00 -1.26 -3.87 118.16 112.27 3hov n LYS 66 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.58 3hov n LYS 66 Cb 1.07 -0.96 0.00 0.00 0.00 0.00 0.00 35.03 35.15 3hov n LYS 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3hov n GLN 68 N 0.00 -1.75 0.00 0.00 -0.00 -1.26 -2.89 117.38 111.48 3hov n GLN 68 Ca 0.00 1.20 0.00 0.00 -0.00 0.00 0.00 57.00 58.20 3hov n GLN 68 Cb 0.00 -2.77 0.00 0.00 -0.00 0.00 0.00 30.24 27.47 3hov n GLN 68 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 3hov n THR 69 N -1.40 0.00 0.00 -0.39 -1.04 -1.26 -4.52 114.28 105.66 3hov n THR 69 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 3hov n THR 69 Cb 0.66 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.17 3hov n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hov n GLN 71 N -2.16 0.00 0.00 0.00 1.13 -1.25 -4.77 117.38 110.33 3hov n GLN 71 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3hov n GLN 71 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 3hov n GLN 71 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3hov n GLU 72 N 10.91 0.00 0.00 -1.09 -0.58 -1.26 -4.69 120.64 123.94 3hov n GLU 72 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3hov n GLU 72 Cb 0.00 -1.22 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 3hov n GLU 72 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hov n GLY 73 N 0.00 -1.02 0.27 0.62 0.00 -1.25 -4.65 105.19 99.16 3hov n GLY 73 Ca 0.00 -1.55 0.23 0.00 0.00 0.00 0.00 46.02 44.70 3hov n GLY 73 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3hov n MET 74 N -0.53 -0.05 -3.33 1.61 2.81 -1.26 -3.18 117.12 113.18 3hov n MET 74 Ca 0.00 1.18 -0.44 0.00 -1.81 0.00 0.00 57.70 56.63 3hov n MET 74 Cb 0.00 -2.05 -0.08 0.00 -0.71 0.00 0.00 33.22 30.39 3hov n MET 74 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 3hov s ASN 75 N -4.70 6.17 0.00 7.83 3.84 -1.26 -3.68 114.94 123.13 3hov s ASN 75 Ca -0.08 -1.12 0.00 0.00 0.21 0.00 0.00 52.86 51.87 3hov s ASN 75 Cb 0.27 -2.21 0.00 0.00 -0.55 0.00 0.00 41.25 38.76 3hov s ASN 75 CO 0.65 -0.68 0.00 1.21 -2.79 0.00 0.00 177.10 175.49 3hov n GLU 76 N 5.47 0.00 -2.58 0.43 4.07 -1.24 -4.90 120.64 121.89 3hov n GLU 76 Ca -0.10 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.57 3hov n GLU 76 Cb 0.45 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.80 3hov n GLU 76 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3hov n PRO 78 N 8.45 -2.46 -1.27 0.00 -0.04 -1.26 -4.90 135.00 133.51 3hov n PRO 78 Ca 0.09 -1.72 -0.29 0.00 -0.04 0.00 0.00 63.50 61.54 3hov n PRO 78 Cb 0.49 -1.45 0.18 0.00 -0.04 0.00 0.00 33.50 32.68 3hov n PRO 78 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3hov s GLY 79 N -4.76 1.58 -0.17 0.55 0.00 -1.26 -4.83 107.32 98.42 3hov s GLY 79 Ca 0.67 -0.56 -0.02 0.00 0.00 0.00 0.00 44.72 44.81 3hov s GLY 79 CO 0.50 0.10 0.02 0.30 0.00 0.00 0.00 173.10 174.02 3hov s HIS 80 N -3.09 1.12 0.72 1.90 3.76 -1.26 -4.90 115.29 113.54 3hov s HIS 80 Ca 0.66 -0.83 -0.15 0.00 -0.15 0.00 0.00 55.06 54.59 3hov s HIS 80 Cb -0.15 -1.06 0.03 0.00 1.11 0.00 0.00 32.58 32.51 3hov s HIS 80 CO 0.56 -0.58 1.21 -0.06 -0.85 0.00 0.00 174.74 175.02 3hov s PHE 81 N 1.82 2.06 0.02 1.40 0.40 -1.26 -4.22 117.98 118.20 3hov s PHE 81 Ca -0.00 1.59 0.00 0.00 -0.60 0.00 0.00 56.93 57.92 3hov s PHE 81 Cb -0.16 -3.49 -0.00 0.00 0.51 0.00 0.00 43.02 39.88 3hov s PHE 81 CO -0.07 -2.62 0.01 0.41 0.70 0.00 0.00 175.22 173.64 3hov n GLY 82 N 0.43 4.08 3.62 4.36 0.00 -0.93 -0.25 105.19 116.50 3hov n GLY 82 Ca 0.14 -1.94 -0.11 0.00 0.00 0.00 0.00 46.02 44.11 3hov n GLY 82 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3hov s HIS 83 N -1.56 0.51 -0.13 1.61 -3.43 -0.78 -0.52 115.29 110.99 3hov s HIS 83 Ca 0.01 -0.90 -0.04 0.00 -0.80 0.00 0.00 55.06 53.33 3hov s HIS 83 Cb 0.00 0.26 0.06 0.00 -1.43 0.00 0.00 32.58 31.47 3hov s HIS 83 CO 0.01 -1.17 0.17 0.42 -2.00 0.00 0.00 174.74 172.16 3hov s ILE 84 N -3.36 -0.26 -0.53 -5.38 1.01 -0.66 -4.04 121.20 107.99 3hov s ILE 84 Ca 0.23 0.17 -0.28 0.00 0.00 0.00 0.00 60.65 60.76 3hov s ILE 84 Cb -0.02 -0.43 0.03 0.00 0.01 0.00 0.00 42.46 42.05 3hov s ILE 84 CO 0.13 0.00 1.23 -1.81 0.00 0.00 0.00 174.94 174.49 3hov s ASP 85 N 2.29 6.46 0.79 3.58 1.01 -1.26 -0.57 116.67 128.96 3hov s ASP 85 Ca 0.04 0.32 -0.12 0.00 0.71 0.00 0.00 52.55 53.50 3hov s ASP 85 Cb -0.13 -2.55 0.07 0.00 1.01 0.00 0.00 42.92 41.32 3hov s ASP 85 CO -0.08 -1.43 1.14 -0.76 0.21 0.00 0.00 175.17 174.25 3hov s LEU 86 N 4.98 3.10 0.15 1.23 1.43 -0.80 -4.96 118.68 123.83 3hov s LEU 86 Ca 0.48 2.09 0.00 0.00 -1.03 0.00 0.00 54.13 55.67 3hov s LEU 86 Cb -0.08 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.54 3hov s LEU 86 CO 0.28 -2.35 1.35 0.00 0.23 0.00 0.00 176.35 175.86 3hov h ALA 87 N -0.97 0.46 -2.52 4.21 0.00 -1.87 -3.46 119.26 115.11 3hov h ALA 87 Ca -0.45 -0.73 -0.12 0.00 0.00 0.00 0.00 54.91 53.62 3hov h ALA 87 Cb 1.26 -0.06 -0.20 0.00 0.00 0.00 0.00 17.79 18.79 3hov h ALA 87 CO 0.48 0.89 -0.26 0.15 0.00 0.00 0.00 179.25 180.51 3hov s LYS 88 N -3.20 0.67 0.40 0.00 1.02 -1.26 -4.97 119.74 112.40 3hov s LYS 88 Ca -0.04 -0.15 -0.27 0.00 0.02 0.00 0.00 55.97 55.54 3hov s LYS 88 Cb 0.10 0.30 -0.09 0.00 -0.52 0.00 0.00 37.83 37.61 3hov s LYS 88 CO 0.84 -0.18 1.37 -1.25 -0.92 0.00 0.00 175.35 175.21 3hov s PRO 89 N -1.26 3.97 0.10 -1.68 0.04 -1.26 -4.90 135.00 130.02 3hov s PRO 89 Ca -0.13 2.32 0.04 0.00 0.04 0.00 0.00 61.00 63.27 3hov s PRO 89 Cb -0.05 -2.82 -0.03 0.00 0.04 0.00 0.00 34.50 31.64 3hov s PRO 89 CO 0.04 -0.54 -0.11 0.14 0.04 0.00 0.00 177.00 176.57 3hov s VAL 90 N -1.20 1.00 1.24 -0.36 -7.23 -0.96 -4.63 120.40 108.26 3hov s VAL 90 Ca 0.56 -1.59 -0.19 0.00 -1.81 0.00 0.00 61.98 58.94 3hov s VAL 90 Cb -0.41 -1.33 0.30 0.00 0.56 0.00 0.00 36.38 35.50 3hov s VAL 90 CO 0.54 -0.49 1.07 -0.36 -0.31 0.00 0.00 175.10 175.54 3hov s PHE 91 N -2.23 0.36 -0.35 2.82 0.08 -1.26 -1.41 117.98 115.98 3hov s PHE 91 Ca 0.05 0.56 0.00 0.00 0.12 0.00 0.00 56.93 57.66 3hov s PHE 91 Cb -0.04 -3.31 0.09 0.00 -0.57 0.00 0.00 43.02 39.19 3hov s PHE 91 CO 0.01 -4.08 0.09 -1.58 -0.10 0.00 0.00 175.22 169.56 3hov s HIS 92 N -2.82 3.59 0.10 0.36 5.65 -1.21 -4.49 115.29 116.47 3hov s HIS 92 Ca 0.70 -2.56 0.06 0.00 0.25 0.00 0.00 55.06 53.52 3hov s HIS 92 Cb -0.12 -2.85 0.37 0.00 -1.18 0.00 0.00 32.58 28.81 3hov s HIS 92 CO 0.57 -0.93 0.42 0.28 -0.65 0.00 0.00 174.74 174.43 3hov n VAL 93 N 4.45 -0.10 0.13 0.89 0.31 -1.26 0.13 118.33 122.89 3hov n VAL 93 Ca -0.02 0.53 0.02 0.00 -0.01 0.00 0.00 64.34 64.85 3hov n VAL 93 Cb 0.42 -0.87 0.01 0.00 -0.91 0.00 0.00 33.84 32.49 3hov n VAL 93 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3hov h GLY 94 N 0.00 0.00 0.16 2.92 0.00 -1.94 -3.35 103.07 100.86 3hov h GLY 94 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 3hov h GLY 94 CO -0.19 0.00 -1.49 0.69 0.00 0.00 0.00 176.54 175.55 3hov n PHE 95 N -3.23 0.09 -0.24 5.60 0.99 0.36 -4.54 117.46 116.48 3hov n PHE 95 Ca 0.02 0.03 0.01 0.00 -0.00 0.00 0.00 57.45 57.51 3hov n PHE 95 Cb 0.76 -0.37 0.05 0.00 -1.00 0.00 0.00 39.48 38.92 3hov n PHE 95 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.76 175.87 3hov n ILE 96 N -2.01 -0.31 -0.19 4.37 5.41 -1.06 0.13 119.36 125.69 3hov n ILE 96 Ca -0.00 1.51 -0.01 0.00 1.00 0.00 0.00 62.75 65.24 3hov n ILE 96 Cb 0.48 -2.03 0.06 0.00 -0.71 0.00 0.00 39.64 37.44 3hov n ILE 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hov h ALA 97 N 1.07 0.42 -0.16 -1.39 0.00 -1.86 0.17 119.26 117.51 3hov h ALA 97 Ca 0.26 0.22 -0.19 0.00 0.00 0.00 0.00 54.91 55.20 3hov h ALA 97 Cb 0.42 0.42 0.01 0.00 0.00 0.00 0.00 17.79 18.64 3hov h ALA 97 CO -0.66 -0.43 -0.64 -0.22 0.00 0.00 0.00 179.25 177.31 3hov h LYS 98 N 0.02 0.72 -0.52 0.00 3.64 0.69 -1.28 116.57 119.84 3hov h LYS 98 Ca 0.29 -0.56 0.10 0.00 -1.27 0.00 0.00 60.65 59.21 3hov h LYS 98 Cb 0.44 0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 32.29 3hov h LYS 98 CO -0.59 1.17 0.05 0.82 -2.27 0.00 0.00 179.45 178.63 3hov h ILE 99 N 0.42 0.64 1.00 2.00 2.04 -0.02 0.67 117.51 124.27 3hov h ILE 99 Ca -0.03 -0.06 -0.05 0.00 1.00 0.00 0.00 64.86 65.72 3hov h ILE 99 Cb 1.27 0.46 0.01 0.00 -0.74 0.00 0.00 36.82 37.81 3hov h ILE 99 CO 0.13 0.03 -0.49 0.50 0.00 0.00 0.00 178.15 178.32 3hov h LYS 100 N 0.17 -1.31 -0.71 2.37 3.64 -0.61 -2.38 116.57 117.74 3hov h LYS 100 Ca 0.26 0.09 0.18 0.00 -1.27 0.00 0.00 60.65 59.91 3hov h LYS 100 Cb 0.39 0.30 -0.04 0.00 -0.41 0.00 0.00 32.23 32.47 3hov h LYS 100 CO -0.39 -0.87 0.49 0.87 -2.27 0.00 0.00 179.45 177.27 3hov h LYS 101 N -1.36 0.16 -0.26 1.90 1.57 -0.29 0.19 116.57 118.48 3hov h LYS 101 Ca -0.14 -0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.48 3hov h LYS 101 Cb 1.04 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 3hov h LYS 101 CO 0.22 0.11 -0.47 0.28 -0.57 0.00 0.00 179.45 179.02 3hov h VAL 102 N 0.17 1.30 -0.32 0.50 2.07 0.48 -3.01 116.25 117.44 3hov h VAL 102 Ca 0.34 -1.66 0.03 0.00 0.82 0.00 0.00 66.70 66.23 3hov h VAL 102 Cb 1.11 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 3hov h VAL 102 CO -0.06 0.53 0.13 0.00 0.02 0.00 0.00 177.57 178.19 3hov n GLU 104 N -5.00 0.31 -0.05 0.00 1.02 -0.70 -2.33 120.64 113.89 3hov n GLU 104 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.09 3hov n GLU 104 Cb 0.10 -1.47 -0.07 0.00 -0.02 0.00 0.00 31.44 29.99 3hov n GLU 104 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hov s VAL 106 N -2.23 3.60 -0.15 0.00 1.01 -0.72 -1.90 120.40 120.01 3hov s VAL 106 Ca -0.08 -1.14 -0.11 0.00 0.00 0.00 0.00 61.98 60.65 3hov s VAL 106 Cb 0.03 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.13 3hov s VAL 106 CO 0.35 -0.12 0.23 0.00 0.00 0.00 0.00 175.10 175.56 3hov s MET 108 N -0.02 -0.25 0.00 0.00 1.00 -1.26 -1.58 119.30 117.18 3hov s MET 108 Ca 0.14 0.57 0.00 0.00 0.00 0.00 0.00 55.69 56.40 3hov s MET 108 Cb -0.13 -1.65 0.00 0.00 0.00 0.00 0.00 34.83 33.05 3hov s MET 108 CO 0.03 -3.21 0.00 1.58 0.00 0.00 0.00 175.02 173.42 3hov n HIS 109 N -4.51 0.00 -0.10 -0.03 -0.00 -1.26 -4.32 115.22 105.00 3hov n HIS 109 Ca 0.04 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.61 3hov n HIS 109 Cb 0.56 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 30.46 3hov n HIS 109 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3hov n GLY 111 N 2.39 1.08 3.34 0.00 0.00 -0.62 -4.83 105.19 106.56 3hov n GLY 111 Ca -0.37 -0.27 -0.28 0.00 0.00 0.00 0.00 46.02 45.11 3hov n GLY 111 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hov s LYS 112 N -1.90 1.44 0.72 1.61 2.20 -1.26 -3.84 119.74 118.72 3hov s LYS 112 Ca 0.00 -1.21 -0.16 0.00 -0.36 0.00 0.00 55.97 54.25 3hov s LYS 112 Cb 0.00 -1.77 0.02 0.00 -1.51 0.00 0.00 37.83 34.57 3hov s LYS 112 CO 0.00 0.43 1.08 1.28 -0.36 0.00 0.00 175.35 177.78 3hov n LEU 113 N 1.27 4.21 -0.61 5.43 4.77 -1.26 -1.69 117.00 129.12 3hov n LEU 113 Ca -0.18 0.69 0.06 0.00 -0.03 0.00 0.00 56.01 56.55 3hov n LEU 113 Cb 0.53 -1.46 0.18 0.00 -2.33 0.00 0.00 43.42 40.34 3hov n LEU 113 CO 0.23 -1.75 0.65 0.18 -1.33 0.00 0.00 177.39 175.36 3hov n LEU 114 N -2.03 1.78 -3.66 2.23 4.77 -0.80 -4.79 117.00 114.51 3hov n LEU 114 Ca 0.14 -0.87 -0.07 0.00 -0.03 0.00 0.00 56.01 55.17 3hov n LEU 114 Cb 0.49 -0.21 -0.08 0.00 -2.33 0.00 0.00 43.42 41.29 3hov n LEU 114 CO 0.48 0.44 0.23 -0.76 -1.33 0.00 0.00 177.39 176.44 3hov s LEU 115 N -1.08 -0.69 0.00 2.23 1.43 -1.26 -4.91 118.68 114.40 3hov s LEU 115 Ca 0.24 1.30 0.00 0.00 -1.03 0.00 0.00 54.13 54.64 3hov s LEU 115 Cb 0.13 1.99 0.00 0.00 0.03 0.00 0.00 46.19 48.33 3hov s LEU 115 CO 0.17 -0.22 0.00 0.47 0.23 0.00 0.00 176.35 177.00 3hov n ASP 116 N 4.51 0.16 0.00 2.29 8.00 -1.26 -4.93 116.55 125.31 3hov n ASP 116 Ca -0.19 -0.86 0.09 0.00 0.71 0.00 0.00 54.79 54.55 3hov n ASP 116 Cb 0.56 0.00 0.44 0.00 -0.02 0.00 0.00 41.12 42.10 3hov n ASP 116 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hov n GLU 117 N -0.79 0.09 0.22 -1.24 4.71 -1.26 -1.39 120.64 120.98 3hov n GLU 117 Ca 0.00 0.15 0.08 0.00 -0.01 0.00 0.00 57.16 57.37 3hov n GLU 117 Cb 0.00 -1.50 0.50 0.00 -1.01 0.00 0.00 31.44 29.43 3hov n GLU 117 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 3hov h HIS 118 N 0.00 0.00 -3.52 -0.32 3.86 -1.99 -3.38 115.15 109.80 3hov h HIS 118 Ca 0.00 0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 58.59 3hov h HIS 118 Cb 0.28 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 28.60 3hov h HIS 118 CO 0.00 0.26 -0.52 1.21 0.86 0.00 0.00 177.93 179.74 3hov s ASN 119 N -6.43 6.00 -0.05 2.45 3.84 -0.49 -4.90 114.94 115.36 3hov s ASN 119 Ca -0.02 0.10 -0.26 0.00 0.21 0.00 0.00 52.86 52.89 3hov s ASN 119 Cb 0.12 -2.07 -0.21 0.00 -0.55 0.00 0.00 41.25 38.55 3hov s ASN 119 CO 0.65 0.08 1.08 -0.08 -2.79 0.00 0.00 177.10 176.05 3hov h GLU 120 N 7.38 -0.05 -1.57 0.43 4.81 -1.83 -2.13 114.58 121.63 3hov h GLU 120 Ca -0.38 0.00 0.46 0.00 -0.13 0.00 0.00 59.36 59.31 3hov h GLU 120 Cb 1.17 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.49 3hov h GLU 120 CO 0.67 0.54 1.12 1.25 -0.73 0.00 0.00 179.01 181.85 3hov h LEU 121 N -0.67 0.04 0.01 1.64 6.46 -1.94 1.15 115.31 121.99 3hov h LEU 121 Ca -0.00 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.74 3hov h LEU 121 Cb 0.60 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.55 3hov h LEU 121 CO 0.01 -0.02 -0.14 -0.03 -0.62 0.00 0.00 178.44 177.64 3hov h MET 122 N 0.02 0.08 -0.92 1.25 4.05 -1.81 -3.11 114.93 114.49 3hov h MET 122 Ca 0.77 -0.10 0.20 0.00 -0.28 0.00 0.00 59.70 60.28 3hov h MET 122 Cb 2.98 0.03 -0.07 0.00 -0.80 0.00 0.00 31.60 33.74 3hov h MET 122 CO -0.06 0.91 0.60 0.00 0.23 0.00 0.00 176.91 178.59 3hov h ARG 123 N -0.70 0.47 -0.78 0.39 3.08 0.19 0.43 114.38 117.47 3hov h ARG 123 Ca -0.02 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.01 3hov h ARG 123 Cb 0.97 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.87 3hov h ARG 123 CO 0.03 0.31 0.51 0.37 -1.07 0.00 0.00 179.97 180.11 3hov h GLN 124 N 0.48 1.03 0.07 0.04 4.15 -0.80 -2.63 115.11 117.44 3hov h GLN 124 Ca 0.49 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.83 3hov h GLN 124 Cb 1.10 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 28.56 3hov h GLN 124 CO -0.21 0.69 -0.03 0.00 -1.93 0.00 0.00 178.83 177.35 3hov h ALA 125 N 1.28 -0.09 0.00 3.38 0.00 -0.32 -3.18 119.26 120.34 3hov h ALA 125 Ca 0.28 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hov h ALA 125 Cb -0.11 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3hov h ALA 125 CO -0.06 -0.22 0.07 1.28 0.00 0.00 0.00 179.25 180.31 3hov n LEU 126 N -4.83 0.00 -0.05 0.00 4.77 0.11 0.97 117.00 117.96 3hov n LEU 126 Ca -0.08 0.09 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 3hov n LEU 126 Cb 0.30 -0.09 -0.13 0.00 -2.33 0.00 0.00 43.42 41.17 3hov n LEU 126 CO 0.30 -0.09 -0.90 0.00 -1.33 0.00 0.00 177.39 175.37 3hov n ALA 127 N -0.94 2.02 -1.53 -1.18 0.00 -1.01 -4.90 120.51 112.97 3hov n ALA 127 Ca 0.00 -0.81 -0.30 0.00 0.00 0.00 0.00 53.44 52.33 3hov n ALA 127 Cb 0.07 -0.30 -0.10 0.00 0.00 0.00 0.00 19.45 19.12 3hov n ALA 127 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3hov n ILE 128 N -2.41 -0.03 -2.22 0.00 5.41 0.27 -4.86 119.36 115.53 3hov n ILE 128 Ca -0.17 -0.50 -0.43 0.00 1.00 0.00 0.00 62.75 62.65 3hov n ILE 128 Cb 0.80 -1.67 -0.02 0.00 -0.71 0.00 0.00 39.64 38.04 3hov n ILE 128 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 3hov s LYS 129 N 8.43 3.94 0.00 0.38 1.02 -1.26 -4.41 119.74 127.83 3hov s LYS 129 Ca 1.11 1.64 0.00 0.00 0.02 0.00 0.00 55.97 58.74 3hov s LYS 129 Cb -0.52 -3.95 0.00 0.00 -0.52 0.00 0.00 37.83 32.84 3hov s LYS 129 CO 0.32 -1.10 0.00 -3.47 -0.92 0.00 0.00 175.35 170.18 3hov n ASP 130 N 7.80 0.00 -0.04 2.83 2.03 -1.26 -4.95 116.55 122.96 3hov n ASP 130 Ca 0.17 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.47 3hov n ASP 130 Cb 0.45 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.84 3hov n ASP 130 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 3hov n SER 131 N 0.00 -0.09 -0.28 1.67 3.41 -1.26 -0.66 113.62 116.40 3hov n SER 131 Ca 0.00 0.81 -0.07 0.00 -0.26 0.00 0.00 58.87 59.35 3hov n SER 131 Cb 0.00 -0.35 -0.06 0.00 -0.26 0.00 0.00 64.21 63.54 3hov n SER 131 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hov n LYS 132 N -3.00 -0.29 0.12 4.33 4.76 -1.26 -0.50 118.16 122.32 3hov n LYS 132 Ca 0.00 1.00 0.00 0.00 -2.87 0.00 0.00 58.31 56.45 3hov n LYS 132 Cb 0.02 -1.48 -0.01 0.00 -1.84 0.00 0.00 35.03 31.72 3hov n LYS 132 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 3hov h LYS 133 N 0.00 0.00 0.64 1.97 1.57 -1.78 -2.74 116.57 116.23 3hov h LYS 133 Ca 0.11 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 3hov h LYS 133 Cb 0.28 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.59 3hov h LYS 133 CO -0.63 0.62 -0.31 -0.09 -0.57 0.00 0.00 179.45 178.47 3hov h ARG 134 N 0.00 -0.83 -0.02 3.15 2.43 0.10 -0.84 114.38 118.37 3hov h ARG 134 Ca -0.01 0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 3hov h ARG 134 Cb 1.49 0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 31.22 3hov h ARG 134 CO 0.08 -0.54 0.20 0.35 -1.51 0.00 0.00 179.97 178.55 3hov h PHE 135 N -1.21 0.00 -0.16 2.20 3.57 -0.90 0.68 116.94 121.11 3hov h PHE 135 Ca -0.09 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.26 3hov h PHE 135 Cb 0.67 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.42 3hov h PHE 135 CO 0.00 0.00 -0.49 0.00 -2.23 0.00 0.00 178.31 175.59 3hov h ALA 136 N 1.62 0.28 -1.43 2.41 0.00 -1.13 -2.99 119.26 118.02 3hov h ALA 136 Ca 0.01 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3hov h ALA 136 Cb 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3hov h ALA 136 CO -0.00 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.70 3hov n ALA 137 N -2.54 -0.11 -0.07 0.00 0.00 0.21 -3.29 120.51 114.71 3hov n ALA 137 Ca -0.07 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.41 3hov n ALA 137 Cb 0.59 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.12 3hov n ALA 137 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3hov n ILE 138 N -1.28 -0.08 0.00 0.00 5.41 0.25 -0.37 119.36 123.28 3hov n ILE 138 Ca 0.00 0.43 0.00 0.00 1.00 0.00 0.00 62.75 64.18 3hov n ILE 138 Cb 0.00 -0.65 0.00 0.00 -0.71 0.00 0.00 39.64 38.28 3hov n ILE 138 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 176.55 178.42 3hov n TRP 139 N -3.83 0.00 -0.33 1.39 -0.00 -1.13 -1.84 117.44 111.70 3hov n TRP 139 Ca 0.06 0.00 0.32 0.00 -0.00 0.00 0.00 57.50 57.87 3hov n TRP 139 Cb 0.19 -0.34 0.57 0.00 -0.00 0.00 0.00 31.31 31.73 3hov n TRP 139 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 177.69 180.10 3hov n THR 140 N -1.51 -0.35 0.00 5.87 -1.04 0.50 -0.48 114.28 117.27 3hov n THR 140 Ca 0.00 1.83 0.00 0.00 -2.04 0.00 0.00 64.05 63.84 3hov n THR 140 Cb 0.00 -2.99 0.00 0.00 -1.82 0.00 0.00 70.33 65.52 3hov n THR 140 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3hov n LEU 141 N -4.97 0.00 -1.83 -4.42 0.00 -0.36 -3.83 117.00 101.59 3hov n LEU 141 Ca 0.36 0.95 -0.14 0.00 0.00 0.00 0.00 56.01 57.18 3hov n LEU 141 Cb 1.26 -0.46 0.15 0.00 0.00 0.00 0.00 43.42 44.37 3hov n LEU 141 CO 0.05 -0.46 1.02 0.00 0.00 0.00 0.00 177.39 178.00 3hov h LYS 143 N 0.99 0.27 -0.14 0.00 2.10 -0.87 -3.32 116.57 115.61 3hov h LYS 143 Ca 0.40 -0.47 -0.20 0.00 -2.00 0.00 0.00 60.65 58.39 3hov h LYS 143 Cb 2.25 0.17 0.01 0.00 -0.90 0.00 0.00 32.23 33.76 3hov h LYS 143 CO 0.74 1.18 -0.69 1.15 -2.00 0.00 0.00 179.45 179.83 3hov h THR 144 N 0.07 1.30 -1.09 0.07 2.02 -1.78 -3.42 112.91 110.09 3hov h THR 144 Ca -0.19 -1.92 -0.52 0.00 0.77 0.00 0.00 66.41 64.55 3hov h THR 144 Cb 2.00 2.04 -0.02 0.00 -1.74 0.00 0.00 68.15 70.43 3hov h THR 144 CO 0.19 0.60 1.62 1.17 0.37 0.00 0.00 175.52 179.47 3hov n LYS 145 N -4.03 0.81 -1.75 6.66 0.00 -1.25 -4.80 118.16 113.80 3hov n LYS 145 Ca -0.08 0.08 -0.30 0.00 0.00 0.00 0.00 58.31 58.01 3hov n LYS 145 Cb 0.70 -2.72 0.05 0.00 0.00 0.00 0.00 35.03 33.06 3hov n LYS 145 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 3hov n MET 146 N 8.70 3.13 -3.64 1.64 2.81 -1.26 -4.91 117.12 123.59 3hov n MET 146 Ca 0.45 -3.76 -0.05 0.00 -1.81 0.00 0.00 57.70 52.53 3hov n MET 146 Cb 0.34 -2.28 -0.06 0.00 -0.71 0.00 0.00 33.22 30.51 3hov n MET 146 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3hov s VAL 147 N -4.81 -0.23 -0.99 2.03 1.01 -1.26 -0.77 120.40 115.38 3hov s VAL 147 Ca 0.57 0.00 -0.20 0.00 0.00 0.00 0.00 61.98 62.35 3hov s VAL 147 Cb 0.46 -1.00 -0.10 0.00 0.00 0.00 0.00 36.38 35.74 3hov s VAL 147 CO -0.04 0.00 1.99 0.00 0.00 0.00 0.00 175.10 177.05 3hov n GLU 149 N 6.99 0.29 0.04 0.00 1.02 -1.26 -3.61 120.64 124.10 3hov n GLU 149 Ca 0.50 0.11 0.11 0.00 -0.02 0.00 0.00 57.16 57.85 3hov n GLU 149 Cb 0.41 -1.64 -0.03 0.00 -0.02 0.00 0.00 31.44 30.16 3hov n GLU 149 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3hov n THR 150 N 2.19 0.27 -3.72 2.62 -1.04 -1.26 -4.60 114.28 108.74 3hov n THR 150 Ca 0.21 -0.40 -0.12 0.00 -2.04 0.00 0.00 64.05 61.71 3hov n THR 150 Cb 0.09 -0.01 -0.12 0.00 -1.82 0.00 0.00 70.33 68.47 3hov n THR 150 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 3hov s ASP 151 N -4.51 -0.36 0.04 8.00 1.01 -1.26 -2.35 116.67 117.25 3hov s ASP 151 Ca -0.00 0.66 0.06 0.00 0.71 0.00 0.00 52.55 53.97 3hov s ASP 151 Cb 0.13 0.56 -0.02 0.00 1.01 0.00 0.00 42.92 44.59 3hov s ASP 151 CO 0.82 -0.17 -0.16 -0.69 0.21 0.00 0.00 175.17 175.18 3hov s VAL 152 N 1.18 1.30 -0.47 -1.27 1.01 0.76 -4.87 120.40 118.04 3hov s VAL 152 Ca -0.08 -1.03 -0.27 0.00 0.00 0.00 0.00 61.98 60.59 3hov s VAL 152 Cb -0.09 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 3hov s VAL 152 CO -0.09 0.10 1.91 -2.16 0.00 0.00 0.00 175.10 174.86 3hov s PRO 153 N -1.08 2.86 1.11 2.72 0.04 -1.26 -0.49 135.00 138.91 3hov s PRO 153 Ca 0.04 1.08 -0.18 0.00 0.04 0.00 0.00 61.00 61.98 3hov s PRO 153 Cb -0.08 -4.33 0.15 0.00 0.04 0.00 0.00 34.50 30.27 3hov s PRO 153 CO 0.01 -2.43 0.15 -1.13 0.04 0.00 0.00 177.00 173.65 3hov n SER 154 N 12.10 -2.73 -2.64 6.66 3.41 -1.26 -4.73 113.62 124.44 3hov n SER 154 Ca 0.24 -0.27 -0.19 0.00 -0.26 0.00 0.00 58.87 58.38 3hov n SER 154 Cb 0.50 -0.88 -0.08 0.00 -0.26 0.00 0.00 64.21 63.49 3hov n SER 154 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hov n GLU 155 N -2.19 2.13 0.00 4.33 4.71 -1.26 -4.07 120.64 124.29 3hov n GLU 155 Ca 0.03 -1.24 0.00 0.00 -0.01 0.00 0.00 57.16 55.94 3hov n GLU 155 Cb 0.53 -2.22 0.00 0.00 -1.01 0.00 0.00 31.44 28.74 3hov n GLU 155 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3hov n ASP 156 N 3.22 0.00 -4.24 1.62 8.00 -1.26 -5.14 116.55 118.75 3hov n ASP 156 Ca 0.46 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.72 3hov n ASP 156 Cb 0.46 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.43 3hov n ASP 156 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 3hov s ASP 157 N 1.00 2.32 0.00 -2.24 -4.77 -1.26 -5.00 116.67 106.72 3hov s ASP 157 Ca 0.00 -0.58 0.02 0.00 -3.30 0.00 0.00 52.55 48.69 3hov s ASP 157 Cb 0.00 -0.16 0.10 0.00 -1.09 0.00 0.00 42.92 41.77 3hov s ASP 157 CO 0.00 0.09 0.67 -0.81 0.70 0.00 0.00 175.17 175.82 3hov n PRO 158 N 1.53 0.59 -0.06 2.11 -0.04 -1.26 -3.41 135.00 134.46 3hov n PRO 158 Ca -0.18 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.22 3hov n PRO 158 Cb 0.54 -1.04 -0.04 0.00 -0.04 0.00 0.00 33.50 32.91 3hov n PRO 158 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3hov h THR 159 N 0.00 0.50 -2.87 0.52 2.02 -1.95 -3.43 112.91 107.69 3hov h THR 159 Ca 0.00 -1.42 -0.69 0.00 0.77 0.00 0.00 66.41 65.08 3hov h THR 159 Cb 0.00 0.98 -0.19 0.00 -1.74 0.00 0.00 68.15 67.20 3hov h THR 159 CO 0.00 0.17 0.19 0.00 0.37 0.00 0.00 175.52 176.25 3hov s GLN 160 N -1.90 3.06 -0.05 6.66 1.03 -1.22 -5.04 119.66 122.20 3hov s GLN 160 Ca -0.10 -1.21 -0.28 0.00 0.04 0.00 0.00 55.36 53.81 3hov s GLN 160 Cb 0.00 -4.25 -0.03 0.00 0.03 0.00 0.00 33.01 28.76 3hov s GLN 160 CO 0.25 -1.58 0.92 -0.51 -2.54 0.00 0.00 175.29 171.82 3hov s LEU 161 N 2.95 4.32 0.54 2.60 1.43 -1.26 -4.12 118.68 125.14 3hov s LEU 161 Ca 0.14 1.50 -0.02 0.00 -1.03 0.00 0.00 54.13 54.72 3hov s LEU 161 Cb -0.23 -3.44 0.01 0.00 0.03 0.00 0.00 46.19 42.56 3hov s LEU 161 CO 0.07 -0.28 0.80 -0.69 0.23 0.00 0.00 176.35 176.49 3hov s VAL 162 N 1.24 3.45 0.13 -1.59 1.01 0.36 -4.79 120.40 120.21 3hov s VAL 162 Ca 0.47 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 62.16 3hov s VAL 162 Cb -0.19 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 3hov s VAL 162 CO 0.23 -0.28 0.06 -0.94 0.00 0.00 0.00 175.10 174.17 3hov s SER 163 N -4.32 5.24 0.00 3.32 1.04 -1.26 -0.17 113.70 117.55 3hov s SER 163 Ca 0.53 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.79 3hov s SER 163 Cb -0.10 -1.30 0.00 0.00 0.10 0.00 0.00 66.02 64.72 3hov s SER 163 CO 0.41 0.12 0.00 -2.11 0.98 0.00 0.00 173.24 172.64 3hov n ARG 164 N 0.11 0.00 -2.72 4.02 1.85 -0.99 -4.94 116.66 114.00 3hov n ARG 164 Ca -0.09 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.47 3hov n ARG 164 Cb 0.53 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.93 3hov n ARG 164 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 3hov s GLY 165 N 0.00 1.73 0.00 2.89 0.00 -1.26 -5.02 107.32 105.66 3hov s GLY 165 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 44.72 44.39 3hov s GLY 165 CO 0.00 -0.15 0.00 0.61 0.00 0.00 0.00 173.10 173.56 3hov n GLY 166 N -1.78 1.20 1.31 0.20 0.00 -1.26 -4.01 105.19 100.84 3hov n GLY 166 Ca 0.02 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.73 3hov n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hov n GLY 168 N 1.30 -0.95 0.88 0.00 0.00 -1.24 -4.38 105.19 100.80 3hov n GLY 168 Ca 0.00 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 3hov n GLY 168 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hov n ASN 169 N -0.78 -0.07 -4.74 1.61 3.02 -1.26 -3.46 115.26 109.58 3hov n ASN 169 Ca 0.13 0.29 -0.37 0.00 -0.03 0.00 0.00 54.58 54.60 3hov n ASN 169 Cb 0.06 -0.23 0.05 0.00 -0.61 0.00 0.00 39.78 39.05 3hov n ASN 169 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3hov s THR 170 N -0.05 2.30 -0.26 3.41 2.01 -1.26 -3.37 115.64 118.42 3hov s THR 170 Ca 0.22 0.19 -0.14 0.00 0.31 0.00 0.00 61.69 62.27 3hov s THR 170 Cb -0.30 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 3hov s THR 170 CO 0.14 -0.04 0.31 -1.10 -0.69 0.00 0.00 174.62 173.25 3hov s GLN 171 N -3.30 4.02 0.15 4.92 -1.52 0.05 -4.93 119.66 119.05 3hov s GLN 171 Ca 0.79 -0.07 -0.31 0.00 -1.95 0.00 0.00 55.36 53.82 3hov s GLN 171 Cb -0.35 -3.64 -0.11 0.00 -0.22 0.00 0.00 33.01 28.70 3hov s GLN 171 CO 0.38 -0.20 1.74 -1.25 -0.25 0.00 0.00 175.29 175.70 3hov s PRO 172 N 1.84 4.15 -0.22 2.91 0.04 -1.26 -4.77 135.00 137.68 3hov s PRO 172 Ca 0.13 2.54 -0.29 0.00 0.04 0.00 0.00 61.00 63.42 3hov s PRO 172 Cb -0.16 -3.35 -0.01 0.00 0.04 0.00 0.00 34.50 31.02 3hov s PRO 172 CO 0.10 -0.77 1.36 -0.08 0.04 0.00 0.00 177.00 177.65 3hov s THR 173 N 1.95 4.08 -0.06 1.26 -1.32 -1.15 -4.71 115.64 115.69 3hov s THR 173 Ca 0.77 1.26 -0.07 0.00 -1.21 0.00 0.00 61.69 62.44 3hov s THR 173 Cb -0.46 -3.97 -0.04 0.00 -1.51 0.00 0.00 72.50 66.51 3hov s THR 173 CO 0.34 -0.28 0.21 -0.63 -2.21 0.00 0.00 174.62 172.04 3hov s ILE 174 N 4.15 5.40 0.03 5.08 1.01 -1.26 -1.96 121.20 133.64 3hov s ILE 174 Ca 0.59 0.22 -0.01 0.00 0.00 0.00 0.00 60.65 61.45 3hov s ILE 174 Cb -0.21 -3.49 -0.02 0.00 0.01 0.00 0.00 42.46 38.74 3hov s ILE 174 CO 0.21 0.51 -0.01 0.00 0.00 0.00 0.00 174.94 175.66 3hov s ARG 175 N -1.33 0.46 0.02 2.79 1.70 0.92 -4.99 118.95 118.51 3hov s ARG 175 Ca 0.21 -0.83 -0.21 0.00 -0.47 0.00 0.00 55.73 54.43 3hov s ARG 175 Cb -0.13 0.16 -0.06 0.00 -0.57 0.00 0.00 34.95 34.36 3hov s ARG 175 CO 0.10 -0.09 0.61 0.21 -1.08 0.00 0.00 175.30 175.05 3hov s LYS 176 N -2.45 4.31 -0.18 3.89 2.20 -1.26 -1.71 119.74 124.54 3hov s LYS 176 Ca -0.07 0.77 -0.05 0.00 -0.36 0.00 0.00 55.97 56.27 3hov s LYS 176 Cb -0.03 -3.32 0.06 0.00 -1.51 0.00 0.00 37.83 33.04 3hov s LYS 176 CO -0.04 0.42 0.10 0.34 -0.36 0.00 0.00 175.35 175.81 3hov s ASP 177 N -0.40 2.36 1.49 1.43 -1.08 -0.45 -4.98 116.67 115.05 3hov s ASP 177 Ca 0.31 -0.63 0.00 0.00 -0.52 0.00 0.00 52.55 51.71 3hov s ASP 177 Cb -0.19 -0.21 0.00 0.00 -1.46 0.00 0.00 42.92 41.06 3hov s ASP 177 CO 0.18 -0.35 0.00 0.61 0.52 0.00 0.00 175.17 176.13 3hov n GLY 178 N 5.28 3.61 1.63 2.66 0.00 -1.26 0.15 105.19 117.26 3hov n GLY 178 Ca -0.07 0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 3hov n GLY 178 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hov n LEU 179 N 0.00 5.26 -4.24 0.99 4.77 -1.26 -4.95 117.00 117.56 3hov n LEU 179 Ca 0.00 -3.70 -0.25 0.00 -0.03 0.00 0.00 56.01 52.03 3hov n LEU 179 Cb 0.00 -0.72 -0.14 0.00 -2.33 0.00 0.00 43.42 40.23 3hov n LEU 179 CO 0.00 1.17 -0.52 -0.54 -1.33 0.00 0.00 177.39 176.17 3hov s LYS 180 N -3.26 1.35 -0.17 3.23 -0.14 0.12 -4.91 119.74 115.95 3hov s LYS 180 Ca 0.50 -0.94 -0.06 0.00 -1.36 0.00 0.00 55.97 54.12 3hov s LYS 180 Cb 0.44 -1.46 -0.03 0.00 -1.68 0.00 0.00 37.83 35.09 3hov s LYS 180 CO 0.05 0.37 0.01 -0.51 -0.76 0.00 0.00 175.35 174.51 3hov s LEU 181 N -1.20 3.50 -0.01 3.17 1.43 -1.26 -1.34 118.68 122.98 3hov s LEU 181 Ca 0.07 -0.05 0.06 0.00 -1.03 0.00 0.00 54.13 53.18 3hov s LEU 181 Cb -0.09 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 3hov s LEU 181 CO 0.02 0.16 -0.18 -0.69 0.23 0.00 0.00 176.35 175.88 3hov s VAL 182 N 0.46 1.42 0.24 -1.59 1.01 -0.69 0.22 120.40 121.47 3hov s VAL 182 Ca -0.00 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.21 3hov s VAL 182 Cb -0.13 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 3hov s VAL 182 CO 0.02 0.36 -0.02 -0.83 0.00 0.00 0.00 175.10 174.63 3hov s GLY 183 N -0.52 1.62 -0.26 4.51 0.00 -0.40 -0.05 107.32 112.21 3hov s GLY 183 Ca 0.07 -1.80 -0.03 0.00 0.00 0.00 0.00 44.72 42.96 3hov s GLY 183 CO -0.00 -1.71 0.22 -1.35 0.00 0.00 0.00 173.10 170.26 3hov s SER 184 N -3.34 2.15 -0.60 1.64 1.04 -0.83 -0.95 113.70 112.82 3hov s SER 184 Ca 0.29 -0.76 -0.28 0.00 0.48 0.00 0.00 55.95 55.67 3hov s SER 184 Cb 0.05 0.21 0.03 0.00 0.10 0.00 0.00 66.02 66.41 3hov s SER 184 CO 0.09 -0.39 1.19 0.26 0.98 0.00 0.00 173.24 175.38 3hov s TRP 185 N 2.27 2.58 0.17 5.02 0.51 -1.26 -2.91 118.94 125.31 3hov s TRP 185 Ca 0.08 0.33 -0.05 0.00 -2.12 0.00 0.00 56.10 54.34 3hov s TRP 185 Cb -0.15 -4.50 -0.06 0.00 -0.81 0.00 0.00 33.47 27.95 3hov s TRP 185 CO -0.28 -1.64 0.41 0.21 -0.51 0.00 0.00 176.95 175.15 3hov s LYS 186 N 4.99 3.64 0.90 4.98 2.20 -1.26 -3.12 119.74 132.07 3hov s LYS 186 Ca 0.41 -0.04 -0.14 0.00 -0.36 0.00 0.00 55.97 55.84 3hov s LYS 186 Cb -0.08 -2.80 0.14 0.00 -1.51 0.00 0.00 37.83 33.58 3hov s LYS 186 CO 0.24 0.42 1.22 -0.51 -0.36 0.00 0.00 175.35 176.37 3hov s ASP 195 N -2.51 3.67 0.17 1.43 1.01 -1.26 -4.96 116.67 114.23 3hov s ASP 195 Ca 0.42 0.61 0.00 0.00 0.71 0.00 0.00 52.55 54.29 3hov s ASP 195 Cb -0.12 -0.93 0.00 0.00 1.01 0.00 0.00 42.92 42.88 3hov s ASP 195 CO 0.25 -2.41 0.00 1.21 0.21 0.00 0.00 175.17 174.42 3hov n GLU 196 N -3.62 -1.29 -0.63 8.23 2.13 -1.26 -5.02 120.64 119.18 3hov n GLU 196 Ca 0.11 0.98 -0.31 0.00 0.66 0.00 0.00 57.16 58.60 3hov n GLU 196 Cb 0.60 -1.18 0.28 0.00 0.27 0.00 0.00 31.44 31.40 3hov n GLU 196 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 3hov n PRO 197 N -1.52 -4.08 -2.69 5.31 -0.04 -1.26 -5.03 135.00 125.68 3hov n PRO 197 Ca 0.00 -1.62 -0.17 0.00 -0.04 0.00 0.00 63.50 61.67 3hov n PRO 197 Cb 0.09 -1.79 0.01 0.00 -0.04 0.00 0.00 33.50 31.77 3hov n PRO 197 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3hov n GLU 198 N -5.38 2.02 -1.44 0.54 2.13 -1.18 -4.95 120.64 112.38 3hov n GLU 198 Ca 0.15 -3.80 -0.56 0.00 0.66 0.00 0.00 57.16 53.60 3hov n GLU 198 Cb 0.60 -1.70 -0.08 0.00 0.27 0.00 0.00 31.44 30.53 3hov n GLU 198 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3hov n LEU 199 N -0.17 0.13 -3.58 4.31 4.77 -1.26 -4.24 117.00 116.96 3hov n LEU 199 Ca 0.22 1.09 -0.15 0.00 -0.03 0.00 0.00 56.01 57.15 3hov n LEU 199 Cb 0.71 -0.86 -0.06 0.00 -2.33 0.00 0.00 43.42 40.88 3hov n LEU 199 CO 0.29 -1.67 0.47 -0.60 -1.33 0.00 0.00 177.39 174.54 3hov s ARG 200 N 0.34 0.90 0.10 3.23 3.52 -0.12 -4.99 118.95 121.93 3hov s ARG 200 Ca 0.87 0.61 -0.29 0.00 -0.13 0.00 0.00 55.73 56.79 3hov s ARG 200 Cb -1.22 0.43 -0.06 0.00 -1.56 0.00 0.00 34.95 32.54 3hov s ARG 200 CO 0.56 -0.20 0.91 0.08 -0.81 0.00 0.00 175.30 175.84 3hov s VAL 201 N -0.39 4.52 -0.46 7.11 1.01 -1.26 -1.28 120.40 129.65 3hov s VAL 201 Ca -0.05 1.95 -0.25 0.00 0.00 0.00 0.00 61.98 63.63 3hov s VAL 201 Cb -0.03 -4.27 0.03 0.00 0.00 0.00 0.00 36.38 32.11 3hov s VAL 201 CO 0.04 0.35 0.92 -0.76 0.00 0.00 0.00 175.10 175.65 3hov s LEU 202 N -0.13 4.01 0.87 3.92 1.43 0.13 -4.93 118.68 123.99 3hov s LEU 202 Ca 0.44 0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 53.53 3hov s LEU 202 Cb -0.23 -3.19 0.11 0.00 0.03 0.00 0.00 46.19 42.92 3hov s LEU 202 CO 0.28 -1.05 1.09 -0.94 0.23 0.00 0.00 176.35 175.96 3hov s SER 203 N 2.27 3.74 -0.03 2.29 1.04 -1.26 -4.36 113.70 117.39 3hov s SER 203 Ca 0.37 1.52 -0.14 0.00 0.48 0.00 0.00 55.95 58.18 3hov s SER 203 Cb -0.10 -2.21 -0.08 0.00 0.10 0.00 0.00 66.02 63.73 3hov s SER 203 CO 0.26 -2.48 0.65 0.74 0.98 0.00 0.00 173.24 173.39 3hov h THR 204 N -1.44 0.00 -1.77 2.02 2.02 -1.96 -2.14 112.91 109.64 3hov h THR 204 Ca -0.48 -0.50 0.52 0.00 0.77 0.00 0.00 66.41 66.72 3hov h THR 204 Cb 1.27 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.60 3hov h THR 204 CO 0.54 0.00 1.26 -0.33 0.37 0.00 0.00 175.52 177.36 3hov h GLU 205 N -1.02 0.01 0.21 6.66 3.07 -1.94 0.73 114.58 122.30 3hov h GLU 205 Ca -0.05 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 3hov h GLU 205 Cb 0.40 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 3hov h GLU 205 CO 0.09 0.01 -0.10 1.49 -1.40 0.00 0.00 179.01 179.09 3hov h GLU 206 N 0.01 -0.28 -0.45 2.33 4.81 -1.92 -2.72 114.58 116.36 3hov h GLU 206 Ca 0.87 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 60.09 3hov h GLU 206 Cb 3.39 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 32.82 3hov h GLU 206 CO -0.08 0.10 0.16 0.82 -0.73 0.00 0.00 179.01 179.28 3hov h ILE 207 N -0.89 1.21 -0.38 2.32 2.04 0.88 -2.50 117.51 120.19 3hov h ILE 207 Ca -0.03 -0.69 0.08 0.00 1.00 0.00 0.00 64.86 65.22 3hov h ILE 207 Cb 0.50 0.81 -0.08 0.00 -0.74 0.00 0.00 36.82 37.32 3hov h ILE 207 CO 0.05 0.25 -0.12 0.25 0.00 0.00 0.00 178.15 178.58 3hov h LEU 208 N 0.59 -0.43 -0.37 1.44 6.46 -0.26 -2.20 115.31 120.54 3hov h LEU 208 Ca 0.15 0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 58.02 3hov h LEU 208 Cb 0.23 0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.41 3hov h LEU 208 CO -0.01 -0.15 0.18 -1.13 -0.62 0.00 0.00 178.44 176.71 3hov h ASN 209 N -0.04 0.48 -0.48 1.25 -0.73 -1.18 -1.24 115.58 113.64 3hov h ASN 209 Ca 0.19 -0.12 0.05 0.00 1.87 0.00 0.00 56.30 58.28 3hov h ASN 209 Cb 0.32 -0.12 -0.04 0.00 0.27 0.00 0.00 38.32 38.74 3hov h ASN 209 CO -0.41 0.47 0.23 0.40 -0.37 0.00 0.00 177.43 177.75 3hov h ILE 210 N 0.46 0.94 -0.39 2.57 2.04 -1.15 -1.25 117.51 120.73 3hov h ILE 210 Ca 0.13 -0.15 0.02 0.00 1.00 0.00 0.00 64.86 65.86 3hov h ILE 210 Cb 0.11 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 3hov h ILE 210 CO -0.02 0.08 0.21 -0.26 0.00 0.00 0.00 178.15 178.17 3hov h PHE 211 N 0.45 0.39 -0.92 1.37 0.04 -1.20 -0.19 116.94 116.88 3hov h PHE 211 Ca 0.22 0.01 0.13 0.00 2.80 0.00 0.00 57.97 61.13 3hov h PHE 211 Cb 0.15 -0.12 -0.07 0.00 2.20 0.00 0.00 35.95 38.10 3hov h PHE 211 CO -0.11 0.21 0.59 0.87 -0.60 0.00 0.00 178.31 179.27 3hov h LYS 212 N 0.43 0.77 0.00 1.51 1.57 -0.73 0.17 116.57 120.28 3hov h LYS 212 Ca 0.16 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3hov h LYS 212 Cb 0.04 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.18 3hov h LYS 212 CO -0.10 0.51 0.00 0.72 -0.57 0.00 0.00 179.45 180.01 3hov n HIS 213 N -4.58 0.29 -1.94 -1.35 8.25 -0.20 -4.81 115.22 110.88 3hov n HIS 213 Ca 0.18 0.10 -0.41 0.00 -0.26 0.00 0.00 57.72 57.32 3hov n HIS 213 Cb 0.43 -0.66 -0.02 0.00 1.12 0.00 0.00 29.99 30.86 3hov n HIS 213 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3hov s ILE 214 N -3.06 2.46 0.53 1.59 1.01 0.58 -4.77 121.20 119.54 3hov s ILE 214 Ca 0.10 0.39 -0.20 0.00 0.00 0.00 0.00 60.65 60.94 3hov s ILE 214 Cb 0.14 -3.25 -0.06 0.00 0.01 0.00 0.00 42.46 39.30 3hov s ILE 214 CO 0.46 0.07 1.16 -0.94 0.00 0.00 0.00 174.94 175.69 3hov s SER 215 N 0.35 5.72 0.45 3.58 1.04 -1.25 -4.80 113.70 118.79 3hov s SER 215 Ca 0.60 2.27 0.13 0.00 0.48 0.00 0.00 55.95 59.43 3hov s SER 215 Cb -0.44 -2.59 1.04 0.00 0.10 0.00 0.00 66.02 64.13 3hov s SER 215 CO 0.46 -1.23 2.04 0.58 0.98 0.00 0.00 173.24 176.07 3hov h VAL 216 N 1.32 0.98 -0.03 5.02 2.07 -1.96 0.28 116.25 123.94 3hov h VAL 216 Ca -0.50 -0.12 -0.18 0.00 0.82 0.00 0.00 66.70 66.72 3hov h VAL 216 Cb 1.27 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 3hov h VAL 216 CO 0.57 0.07 -0.76 0.11 0.02 0.00 0.00 177.57 177.57 3hov h LYS 217 N 0.36 0.21 -0.26 1.57 1.57 -2.01 -3.11 116.57 114.90 3hov h LYS 217 Ca 0.18 -0.19 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 3hov h LYS 217 Cb 0.26 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 3hov h LYS 217 CO -0.04 0.88 -0.16 -0.44 -0.57 0.00 0.00 179.45 179.12 3hov h ASP 218 N 0.14 0.58 0.00 0.86 3.32 -1.30 -2.39 116.42 117.63 3hov h ASP 218 Ca -0.03 -0.43 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3hov h ASP 218 Cb 1.34 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3hov h ASP 218 CO 0.12 0.88 0.00 0.49 -1.72 0.00 0.00 179.24 179.01 3hov n PHE 219 N -4.43 0.00 -0.20 4.55 0.99 0.77 -1.51 117.46 117.63 3hov n PHE 219 Ca -0.04 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.30 3hov n PHE 219 Cb 0.38 -0.26 -0.07 0.00 -1.00 0.00 0.00 39.48 38.53 3hov n PHE 219 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 3hov h THR 220 N 0.00 0.04 -0.85 4.37 2.02 -1.59 0.30 112.91 117.20 3hov h THR 220 Ca 0.00 0.00 0.25 0.00 0.77 0.00 0.00 66.41 67.43 3hov h THR 220 Cb 0.00 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.42 3hov h THR 220 CO 0.00 0.00 0.69 0.77 0.37 0.00 0.00 175.52 177.35 3hov h SER 221 N -0.28 0.00 -0.32 4.18 4.64 -0.98 1.94 113.55 122.73 3hov h SER 221 Ca 0.13 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.42 3hov h SER 221 Cb 0.56 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.64 3hov h SER 221 CO -0.67 0.00 0.03 0.18 -0.87 0.00 0.00 176.83 175.50 3hov n LEU 222 N -4.01 3.58 -0.76 5.97 4.77 0.10 -4.40 117.00 122.26 3hov n LEU 222 Ca 0.18 -1.82 -0.10 0.00 -0.03 0.00 0.00 56.01 54.23 3hov n LEU 222 Cb 0.99 -0.60 -0.04 0.00 -2.33 0.00 0.00 43.42 41.43 3hov n LEU 222 CO 0.35 0.48 -0.09 0.61 -1.33 0.00 0.00 177.39 177.40 3hov n GLY 223 N 0.25 1.14 0.00 -0.72 0.00 0.66 -4.80 105.19 101.72 3hov n GLY 223 Ca 0.16 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3hov n GLY 223 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hov n PHE 224 N -2.68 0.00 -3.15 1.61 3.01 -1.16 -4.63 117.46 110.45 3hov n PHE 224 Ca -0.10 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.40 3hov n PHE 224 Cb 0.34 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.80 3hov n PHE 224 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 3hov s ASN 225 N -1.00 -1.23 0.58 4.37 2.47 -1.04 -4.62 114.94 114.47 3hov s ASN 225 Ca 0.00 0.66 0.39 0.00 0.42 0.00 0.00 52.86 54.33 3hov s ASN 225 Cb 0.00 1.99 1.43 0.00 -1.45 0.00 0.00 41.25 43.21 3hov s ASN 225 CO 0.00 -0.23 1.55 -0.08 -3.72 0.00 0.00 177.10 174.62 3hov h GLU 226 N 7.98 0.00 0.00 0.43 4.81 -1.91 0.20 114.58 126.08 3hov h GLU 226 Ca -0.18 0.00 -0.41 0.00 -0.13 0.00 0.00 59.36 58.64 3hov h GLU 226 Cb 1.17 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.48 3hov h GLU 226 CO 0.17 0.00 -2.44 0.28 -0.73 0.00 0.00 179.01 176.29 3hov n VAL 227 N -3.73 1.43 -0.07 0.32 0.31 -1.26 -4.81 118.33 110.52 3hov n VAL 227 Ca 0.32 -0.46 -0.05 0.00 -0.01 0.00 0.00 64.34 64.14 3hov n VAL 227 Cb 1.64 -1.60 -0.16 0.00 -0.91 0.00 0.00 33.84 32.81 3hov n VAL 227 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3hov n PHE 228 N -3.67 0.06 -2.86 3.52 0.99 -0.91 -4.90 117.46 109.68 3hov n PHE 228 Ca -0.48 0.02 -0.08 0.00 -0.00 0.00 0.00 57.45 56.91 3hov n PHE 228 Cb 0.92 -0.90 -0.01 0.00 -1.00 0.00 0.00 39.48 38.50 3hov n PHE 228 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 3hov n SER 229 N -2.65 -2.95 -4.74 4.37 3.41 0.66 -0.89 113.62 110.82 3hov n SER 229 Ca -0.25 -2.84 -0.41 0.00 -0.26 0.00 0.00 58.87 55.11 3hov n SER 229 Cb 1.02 1.38 -0.05 0.00 -0.26 0.00 0.00 64.21 66.30 3hov n SER 229 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3hov s ARG 230 N 0.72 4.65 0.23 4.33 0.52 -1.22 -2.50 118.95 125.68 3hov s ARG 230 Ca 0.31 1.33 -0.09 0.00 -0.52 0.00 0.00 55.73 56.76 3hov s ARG 230 Cb 0.02 -3.36 0.34 0.00 0.52 0.00 0.00 34.95 32.47 3hov s ARG 230 CO -0.08 0.28 1.33 -2.30 0.02 0.00 0.00 175.30 174.55 3hov n PRO 231 N 2.60 -0.11 -0.35 3.54 -0.02 -1.26 0.02 135.00 139.41 3hov n PRO 231 Ca 0.00 1.32 0.36 0.00 -2.02 0.00 0.00 63.50 63.17 3hov n PRO 231 Cb 0.49 -1.97 0.75 0.00 -0.02 0.00 0.00 33.50 32.75 3hov n PRO 231 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3hov h GLU 232 N 0.00 0.01 0.00 -0.52 4.11 -1.89 0.22 114.58 116.51 3hov h GLU 232 Ca 0.38 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.81 3hov h GLU 232 Cb 0.59 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3hov h GLU 232 CO -0.87 0.01 0.00 -1.49 0.07 0.00 0.00 179.01 176.73 3hov h TRP 233 N 0.01 0.00 0.00 2.06 6.55 -0.74 -2.55 115.95 121.29 3hov h TRP 233 Ca 0.60 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.44 3hov h TRP 233 Cb 2.36 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 30.66 3hov h TRP 233 CO -0.00 0.00 0.00 -1.33 -1.05 0.00 0.00 178.44 176.06 3hov n MET 234 N -2.60 0.01 -3.78 0.49 2.81 0.07 -4.45 117.12 109.67 3hov n MET 234 Ca 0.01 0.30 -0.37 0.00 -1.81 0.00 0.00 57.70 55.83 3hov n MET 234 Cb 0.22 -1.53 -0.13 0.00 -0.71 0.00 0.00 33.22 31.07 3hov n MET 234 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3hov s ILE 235 N -3.03 3.72 0.27 2.02 1.01 -0.96 -3.31 121.20 120.93 3hov s ILE 235 Ca 0.06 -1.00 -0.30 0.00 0.00 0.00 0.00 60.65 59.41 3hov s ILE 235 Cb 0.08 -3.03 -0.10 0.00 0.01 0.00 0.00 42.46 39.42 3hov s ILE 235 CO 0.24 -0.06 1.40 -0.76 0.00 0.00 0.00 174.94 175.76 3hov s LEU 236 N 1.42 4.39 0.00 2.97 1.43 -0.50 -4.84 118.68 123.55 3hov s LEU 236 Ca -0.00 2.68 0.00 0.00 -1.03 0.00 0.00 54.13 55.77 3hov s LEU 236 Cb -0.19 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.40 3hov s LEU 236 CO 0.02 -0.66 0.00 0.41 0.23 0.00 0.00 176.35 176.35 3hov n THR 237 N 1.90 0.00 -4.53 5.49 -1.04 -1.26 -2.28 114.28 112.56 3hov n THR 237 Ca 0.05 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.77 3hov n THR 237 Cb 0.41 -0.18 -0.17 0.00 -1.82 0.00 0.00 70.33 68.57 3hov n THR 237 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hov s LEU 239 N 0.92 4.73 0.18 0.00 2.96 0.27 -4.86 118.68 122.88 3hov s LEU 239 Ca -0.08 -0.96 -0.32 0.00 -0.22 0.00 0.00 54.13 52.55 3hov s LEU 239 Cb -0.15 -2.04 -0.12 0.00 0.50 0.00 0.00 46.19 44.38 3hov s LEU 239 CO -0.01 -0.38 1.75 -0.81 -1.32 0.00 0.00 176.35 175.58 3hov n PRO 240 N 5.01 2.75 -3.45 0.98 -0.04 -1.26 -1.65 135.00 137.35 3hov n PRO 240 Ca -0.12 1.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.91 3hov n PRO 240 Cb 0.46 -2.85 -0.07 0.00 -0.04 0.00 0.00 33.50 31.00 3hov n PRO 240 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3hov s VAL 241 N 1.55 4.73 0.32 0.52 1.01 0.32 -4.94 120.40 123.91 3hov s VAL 241 Ca 0.77 -1.51 -0.29 0.00 0.00 0.00 0.00 61.98 60.95 3hov s VAL 241 Cb -0.51 -4.00 -0.12 0.00 0.00 0.00 0.00 36.38 31.75 3hov s VAL 241 CO 0.34 -0.73 1.43 -0.81 0.00 0.00 0.00 175.10 175.32 3hov n PRO 242 N 5.08 2.36 -1.51 2.72 -0.04 -1.26 -2.19 135.00 140.15 3hov n PRO 242 Ca -0.11 0.83 -0.31 0.00 -0.04 0.00 0.00 63.50 63.87 3hov n PRO 242 Cb 0.41 -2.51 0.06 0.00 -0.04 0.00 0.00 33.50 31.43 3hov n PRO 242 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3hov s PRO 243 N -1.32 2.74 0.07 0.54 0.04 -1.26 -4.84 135.00 130.97 3hov s PRO 243 Ca 0.59 0.96 -0.14 0.00 0.04 0.00 0.00 61.00 62.46 3hov s PRO 243 Cb -0.55 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.00 3hov s PRO 243 CO 0.57 -1.24 0.70 -2.30 0.04 0.00 0.00 177.00 174.76 3hov n PRO 244 N -3.23 -0.20 -0.11 0.56 -0.02 -1.26 -0.57 135.00 130.17 3hov n PRO 244 Ca 0.08 0.68 0.25 0.00 -2.02 0.00 0.00 63.50 62.49 3hov n PRO 244 Cb 0.54 -1.00 0.47 0.00 -0.02 0.00 0.00 33.50 33.48 3hov n PRO 244 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3hov h PRO 245 N 0.00 0.00 0.10 0.52 0.11 -1.93 0.67 132.00 131.47 3hov h PRO 245 Ca 0.07 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.86 3hov h PRO 245 Cb 0.19 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.28 3hov h PRO 245 CO -0.42 0.00 -1.72 0.28 -0.21 0.00 0.00 178.00 175.92 3hov h VAL 246 N 0.00 0.91 -1.56 3.15 2.07 -1.18 -3.39 116.25 116.25 3hov h VAL 246 Ca 0.40 -2.62 -0.50 0.00 0.82 0.00 0.00 66.70 64.79 3hov h VAL 246 Cb 2.51 2.61 -0.41 0.00 -1.52 0.00 0.00 31.29 34.48 3hov h VAL 246 CO -0.00 0.78 -0.92 -2.11 0.02 0.00 0.00 177.57 175.33 3hov n ARG 247 N -3.39 2.36 -1.63 1.57 1.85 0.16 -5.05 116.66 112.53 3hov n ARG 247 Ca -0.22 -4.03 -0.37 0.00 -1.00 0.00 0.00 57.85 52.24 3hov n ARG 247 Cb 1.05 -1.87 0.08 0.00 -1.05 0.00 0.00 32.46 30.67 3hov n ARG 247 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 3hov n PRO 248 N -0.20 0.96 0.00 2.89 -0.04 0.18 -4.35 135.00 134.44 3hov n PRO 248 Ca 0.27 0.39 0.00 0.00 -0.04 0.00 0.00 63.50 64.11 3hov n PRO 248 Cb 0.66 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 3hov n PRO 248 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3hov n SER 249 N -2.01 0.00 -2.69 3.54 3.41 -1.26 -4.21 113.62 110.40 3hov n SER 249 Ca 0.15 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.72 3hov n SER 249 Cb 0.48 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.49 3hov n SER 249 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3hov n ILE 250 N -0.05 0.00 -1.89 -1.33 5.41 -0.64 -4.92 119.36 115.95 3hov n ILE 250 Ca 0.00 -0.64 -0.34 0.00 1.00 0.00 0.00 62.75 62.78 3hov n ILE 250 Cb 0.00 0.96 0.04 0.00 -0.71 0.00 0.00 39.64 39.93 3hov n ILE 250 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3hov s SER 251 N 0.06 5.27 -0.58 4.38 1.04 -1.22 -4.28 113.70 118.37 3hov s SER 251 Ca 0.26 2.04 0.06 0.00 0.48 0.00 0.00 55.95 58.80 3hov s SER 251 Cb 0.17 -2.56 0.30 0.00 0.10 0.00 0.00 66.02 64.03 3hov s SER 251 CO -0.11 -1.52 0.84 0.49 0.98 0.00 0.00 173.24 173.92 3hov n PHE 252 N -2.13 3.50 0.00 5.02 3.01 -1.26 -5.02 117.46 120.58 3hov n PHE 252 Ca 0.11 -4.03 0.00 0.00 1.01 0.00 0.00 57.45 54.53 3hov n PHE 252 Cb 0.52 -0.51 0.00 0.00 -0.01 0.00 0.00 39.48 39.48 3hov n PHE 252 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3hov n ASN 253 N 0.28 0.00 0.00 4.37 2.85 -1.26 -4.85 115.26 116.66 3hov n ASN 253 Ca 0.30 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.77 3hov n ASN 253 Cb 0.42 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.44 3hov n ASN 253 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 3hov n GLU 254 N 0.00 2.79 -0.39 1.20 1.02 -1.26 -4.96 120.64 119.03 3hov n GLU 254 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.11 3hov n GLU 254 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 3hov n GLU 254 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3hov n SER 255 N 0.00 -0.58 0.00 1.62 3.41 -1.26 -4.34 113.62 112.47 3hov n SER 255 Ca 0.00 -0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.27 3hov n SER 255 Cb 0.00 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 3hov n SER 255 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hov n GLN 256 N 1.59 0.00 0.00 4.33 6.02 -1.26 -5.07 117.38 122.99 3hov n GLN 256 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 3hov n GLN 256 Cb 0.11 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.37 3hov n GLN 256 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 3hov n ARG 257 N 0.00 0.00 0.00 -1.09 0.63 -1.26 -5.07 116.66 109.87 3hov n ARG 257 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3hov n ARG 257 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 3hov n ARG 257 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3hov n GLY 258 N 0.00 0.39 3.57 5.14 0.00 -1.26 -3.39 105.19 109.64 3hov n GLY 258 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3hov n GLY 258 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hov n GLU 259 N 0.00 -0.26 -3.73 1.61 -0.58 -1.26 -1.62 120.64 114.80 3hov n GLU 259 Ca 0.00 -0.02 -0.34 0.00 -0.42 0.00 0.00 57.16 56.39 3hov n GLU 259 Cb 0.00 -2.16 -0.05 0.00 -0.57 0.00 0.00 31.44 28.65 3hov n GLU 259 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3hov s ASP 260 N -2.27 6.51 0.22 1.62 -1.08 -1.26 -4.87 116.67 115.54 3hov s ASP 260 Ca 0.64 0.58 -0.11 0.00 -0.52 0.00 0.00 52.55 53.14 3hov s ASP 260 Cb -0.24 -2.09 0.31 0.00 -1.46 0.00 0.00 42.92 39.43 3hov s ASP 260 CO 0.60 0.20 1.34 0.47 0.52 0.00 0.00 175.17 178.31 3hov n ASP 261 N 0.83 -0.43 -0.37 -0.34 10.43 -1.26 0.76 116.55 126.17 3hov n ASP 261 Ca -0.09 1.50 -0.03 0.00 2.57 0.00 0.00 54.79 58.75 3hov n ASP 261 Cb 0.52 -0.40 0.10 0.00 1.84 0.00 0.00 41.12 43.19 3hov n ASP 261 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 3hov h LEU 262 N 0.00 1.15 -2.35 0.64 3.38 -1.93 -1.06 115.31 115.15 3hov h LEU 262 Ca 0.36 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.28 3hov h LEU 262 Cb 0.58 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 3hov h LEU 262 CO -0.87 0.86 0.03 0.74 0.09 0.00 0.00 178.44 179.28 3hov h THR 263 N 1.34 0.62 0.05 0.22 2.02 0.05 -1.99 112.91 115.21 3hov h THR 263 Ca 0.35 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.46 3hov h THR 263 Cb -0.10 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 3hov h THR 263 CO -0.07 0.00 -0.34 -0.26 0.37 0.00 0.00 175.52 175.22 3hov h PHE 264 N 0.00 0.18 0.00 3.16 0.05 -0.69 -3.08 116.94 116.56 3hov h PHE 264 Ca 0.01 -0.13 0.00 0.00 3.82 0.00 0.00 57.97 61.67 3hov h PHE 264 Cb 0.07 -0.01 0.00 0.00 2.00 0.00 0.00 35.95 38.01 3hov h PHE 264 CO 0.00 1.13 0.00 0.87 -0.18 0.00 0.00 178.31 180.13 3hov h LYS 265 N -0.79 0.00 0.13 1.51 6.56 -0.91 0.35 116.57 123.42 3hov h LYS 265 Ca -0.07 0.00 -0.20 0.00 -1.06 0.00 0.00 60.65 59.32 3hov h LYS 265 Cb 1.23 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.90 3hov h LYS 265 CO 0.04 0.00 -0.92 -0.07 -2.06 0.00 0.00 179.45 176.44 3hov h LEU 266 N 0.00 0.42 -1.49 2.94 3.38 -1.46 -2.12 115.31 116.98 3hov h LEU 266 Ca 0.00 -0.92 0.05 0.00 0.09 0.00 0.00 57.88 57.09 3hov h LEU 266 Cb 0.14 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3hov h LEU 266 CO 0.00 1.43 0.40 0.00 0.09 0.00 0.00 178.44 180.36 3hov h ALA 267 N 0.04 1.74 0.37 1.53 0.00 -0.62 0.77 119.26 123.10 3hov h ALA 267 Ca -0.18 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3hov h ALA 267 Cb 1.63 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.25 3hov h ALA 267 CO 0.12 0.18 -0.18 -0.44 0.00 0.00 0.00 179.25 178.92 3hov h ASP 268 N 0.65 -0.43 -0.50 0.00 5.19 -0.46 0.04 116.42 120.91 3hov h ASP 268 Ca 0.25 -0.08 0.03 0.00 -0.62 0.00 0.00 57.03 56.61 3hov h ASP 268 Cb 0.18 0.11 -0.04 0.00 0.18 0.00 0.00 39.33 39.76 3hov h ASP 268 CO -0.07 -0.18 0.28 0.40 -3.12 0.00 0.00 179.24 176.56 3hov h ILE 269 N -0.67 1.02 -0.11 0.35 2.04 -0.57 0.11 117.51 119.68 3hov h ILE 269 Ca -0.05 -0.19 0.02 0.00 1.00 0.00 0.00 64.86 65.64 3hov h ILE 269 Cb 0.48 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 3hov h ILE 269 CO 0.08 0.10 -0.01 0.25 0.00 0.00 0.00 178.15 178.57 3hov h LEU 270 N 0.56 -0.07 0.26 1.44 5.85 0.64 0.18 115.31 124.17 3hov h LEU 270 Ca 0.21 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 3hov h LEU 270 Cb 0.06 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 3hov h LEU 270 CO -0.12 -0.02 -0.16 0.11 -0.34 0.00 0.00 178.44 177.91 3hov h LYS 271 N 0.02 -0.40 -0.15 1.25 1.57 -0.64 -0.51 116.57 117.72 3hov h LYS 271 Ca 0.05 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.90 3hov h LYS 271 Cb 0.07 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3hov h LYS 271 CO -0.10 -0.26 0.18 0.00 -0.57 0.00 0.00 179.45 178.70 3hov h ALA 272 N 0.31 1.73 0.00 3.86 0.00 -0.50 -1.00 119.26 123.66 3hov h ALA 272 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3hov h ALA 272 Cb 0.34 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3hov h ALA 272 CO 0.02 -0.26 -0.12 -0.97 0.00 0.00 0.00 179.25 177.93 3hov h ASN 273 N 0.00 0.00 -0.93 0.00 -1.24 0.00 -3.06 115.58 110.36 3hov h ASN 273 Ca 0.07 -0.37 0.24 0.00 0.71 0.00 0.00 56.30 56.96 3hov h ASN 273 Cb 0.43 0.00 -0.13 0.00 0.73 0.00 0.00 38.32 39.35 3hov h ASN 273 CO -0.00 0.75 0.44 0.40 -1.29 0.00 0.00 177.43 177.72 3hov h ILE 274 N -1.00 0.44 0.48 2.57 2.04 -0.68 -0.65 117.51 120.70 3hov h ILE 274 Ca -0.02 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 3hov h ILE 274 Cb 0.46 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 3hov h ILE 274 CO -0.01 0.07 -0.43 -1.28 0.00 0.00 0.00 178.15 176.50 3hov h SER 275 N 0.40 -1.15 -0.33 1.72 0.87 -1.30 -1.54 113.55 112.23 3hov h SER 275 Ca 0.60 0.09 0.07 0.00 -1.23 0.00 0.00 61.79 61.32 3hov h SER 275 Cb 1.19 0.37 -0.08 0.00 -0.44 0.00 0.00 62.40 63.44 3hov h SER 275 CO -0.55 -0.60 -0.21 0.25 -0.53 0.00 0.00 176.83 175.20 3hov h LEU 276 N -0.90 -0.68 -1.03 2.23 5.85 -1.03 -1.69 115.31 118.05 3hov h LEU 276 Ca -0.05 0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.86 3hov h LEU 276 Cb 0.78 0.35 -0.06 0.00 0.37 0.00 0.00 40.66 42.10 3hov h LEU 276 CO -0.04 -0.24 0.65 -0.08 -0.34 0.00 0.00 178.44 178.39 3hov h GLU 277 N -0.17 1.20 0.00 1.25 4.81 -1.29 -1.30 114.58 119.08 3hov h GLU 277 Ca 0.17 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3hov h GLU 277 Cb 0.42 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.53 3hov h GLU 277 CO -0.43 0.79 0.00 2.41 -0.73 0.00 0.00 179.01 181.06 3hov n THR 278 N -4.45 0.03 0.43 0.32 -1.04 -0.59 -1.45 114.28 107.54 3hov n THR 278 Ca 0.14 0.01 0.05 0.00 -2.04 0.00 0.00 64.05 62.21 3hov n THR 278 Cb 0.12 -0.78 -0.06 0.00 -1.82 0.00 0.00 70.33 67.78 3hov n THR 278 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3hov n LEU 279 N -1.01 0.43 -0.01 -4.42 4.77 -0.50 -3.94 117.00 112.32 3hov n LEU 279 Ca 0.11 -0.44 0.10 0.00 -0.03 0.00 0.00 56.01 55.75 3hov n LEU 279 Cb 0.05 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.00 3hov n LEU 279 CO 0.08 0.11 -0.47 -0.62 -1.33 0.00 0.00 177.39 175.16 3hov n GLU 280 N -1.32 0.44 -0.11 3.23 1.02 -0.53 -3.55 120.64 119.82 3hov n GLU 280 Ca 0.02 -0.12 0.11 0.00 -0.02 0.00 0.00 57.16 57.15 3hov n GLU 280 Cb 0.18 -1.50 0.16 0.00 -0.02 0.00 0.00 31.44 30.26 3hov n GLU 280 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 3hov n HIS 281 N -1.94 0.29 -3.12 -0.32 -0.00 -0.87 -4.94 115.22 104.32 3hov n HIS 281 Ca -0.01 -0.15 0.00 0.00 0.46 0.00 0.00 57.72 58.02 3hov n HIS 281 Cb 0.46 -0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.33 3hov n HIS 281 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 3hov n ASN 282 N 1.34 0.60 -4.54 0.26 5.03 -1.25 -5.04 115.26 111.67 3hov n ASN 282 Ca 0.16 -0.12 -0.36 0.00 0.87 0.00 0.00 54.58 55.13 3hov n ASN 282 Cb 0.57 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 39.27 3hov n ASN 282 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hov n GLY 283 N 1.50 -0.01 3.31 7.41 0.00 -1.26 -4.83 105.19 111.30 3hov n GLY 283 Ca 0.00 0.76 -0.44 0.00 0.00 0.00 0.00 46.02 46.33 3hov n GLY 283 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hov n ALA 284 N 14.59 4.31 -0.98 4.61 0.00 -1.23 -4.88 120.51 136.93 3hov n ALA 284 Ca 0.45 -4.50 -0.38 0.00 0.00 0.00 0.00 53.44 49.00 3hov n ALA 284 Cb 0.41 -2.70 -0.10 0.00 0.00 0.00 0.00 19.45 17.06 3hov n ALA 284 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3hov n PRO 285 N 3.68 0.54 0.00 0.00 -0.04 -1.26 -4.71 135.00 133.21 3hov n PRO 285 Ca 0.30 -1.46 0.00 0.00 -0.04 0.00 0.00 63.50 62.30 3hov n PRO 285 Cb 0.39 -2.95 0.00 0.00 -0.04 0.00 0.00 33.50 30.90 3hov n PRO 285 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3hov n HIS 286 N 10.88 0.00 -2.71 0.54 8.25 -1.26 0.09 115.22 131.02 3hov n HIS 286 Ca 0.47 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.66 3hov n HIS 286 Cb 0.43 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.52 3hov n HIS 286 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3hov n HIS 287 N 0.00 3.62 -0.26 4.41 8.25 -1.26 -4.09 115.22 125.89 3hov n HIS 287 Ca 0.00 -3.53 0.00 0.00 -0.26 0.00 0.00 57.72 53.93 3hov n HIS 287 Cb 0.00 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 30.83 3hov n HIS 287 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hov n ALA 288 N -0.35 0.00 0.05 -1.41 0.00 0.11 -4.72 120.51 114.19 3hov n ALA 288 Ca 0.35 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.56 3hov n ALA 288 Cb 0.54 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.84 3hov n ALA 288 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3hov h ILE 289 N 0.00 0.89 0.00 0.00 2.10 -1.71 -3.26 117.51 115.53 3hov h ILE 289 Ca 0.00 -2.45 0.00 0.00 1.08 0.00 0.00 64.86 63.49 3hov h ILE 289 Cb 0.00 2.70 0.00 0.00 -1.09 0.00 0.00 36.82 38.43 3hov h ILE 289 CO 0.00 0.83 0.00 1.05 -1.08 0.00 0.00 178.15 178.95 3hov h GLU 290 N 0.01 0.00 0.00 2.19 4.11 -1.86 -1.07 114.58 117.96 3hov h GLU 290 Ca -0.35 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.00 3hov h GLU 290 Cb 2.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.26 3hov h GLU 290 CO 0.14 0.00 -0.35 0.93 0.07 0.00 0.00 179.01 179.80 3hov h GLU 291 N 0.00 0.00 -0.02 1.06 5.08 -1.84 -3.02 114.58 115.83 3hov h GLU 291 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hov h GLU 291 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3hov h GLU 291 CO 0.00 0.35 -0.07 0.00 -1.00 0.00 0.00 179.01 178.29 3hov n ALA 292 N -2.21 2.62 0.01 3.43 0.00 -0.51 -4.16 120.51 119.70 3hov n ALA 292 Ca 0.02 -0.63 -0.21 0.00 0.00 0.00 0.00 53.44 52.62 3hov n ALA 292 Cb 0.61 -0.63 -0.14 0.00 0.00 0.00 0.00 19.45 19.29 3hov n ALA 292 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3hov h GLU 293 N 3.35 0.23 0.00 0.00 4.81 -1.17 -3.27 114.58 118.52 3hov h GLU 293 Ca 0.00 -0.40 -0.01 0.00 -0.13 0.00 0.00 59.36 58.82 3hov h GLU 293 Cb 0.75 0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.27 3hov h GLU 293 CO 0.00 1.19 -0.06 0.66 -0.73 0.00 0.00 179.01 180.07 3hov h SER 294 N -0.41 0.00 -0.67 1.04 4.64 -1.71 -0.55 113.55 115.89 3hov h SER 294 Ca -0.23 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.05 3hov h SER 294 Cb 1.65 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.71 3hov h SER 294 CO 0.07 0.06 0.27 0.25 -0.87 0.00 0.00 176.83 176.61 3hov h LEU 295 N 0.00 0.93 -0.02 5.97 5.85 -1.72 -0.53 115.31 125.79 3hov h LEU 295 Ca -0.00 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 3hov h LEU 295 Cb 0.16 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 3hov h LEU 295 CO 0.01 0.85 0.00 0.25 -0.34 0.00 0.00 178.44 179.21 3hov h LEU 296 N 0.95 0.03 -2.00 2.25 5.85 -1.22 -1.37 115.31 119.81 3hov h LEU 296 Ca 0.22 -0.27 0.15 0.00 0.84 0.00 0.00 57.88 58.82 3hov h LEU 296 Cb 0.21 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3hov h LEU 296 CO -0.02 0.29 0.45 -0.61 -0.34 0.00 0.00 178.44 178.21 3hov h GLN 297 N -0.24 0.00 0.24 1.25 5.75 -1.07 0.15 115.11 121.19 3hov h GLN 297 Ca 0.00 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 3hov h GLN 297 Cb 0.28 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.83 3hov h GLN 297 CO 0.00 0.00 -0.12 0.35 -2.65 0.00 0.00 178.83 176.41 3hov h PHE 298 N 0.00 -0.30 0.49 3.99 3.57 -0.47 -2.82 116.94 121.39 3hov h PHE 298 Ca 0.24 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.72 3hov h PHE 298 Cb 1.13 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.96 3hov h PHE 298 CO 0.00 -0.11 -0.33 0.45 -2.23 0.00 0.00 178.31 176.08 3hov h HIS 299 N -1.06 -0.89 0.00 0.41 3.86 -0.67 1.10 115.15 117.90 3hov h HIS 299 Ca -0.03 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 3hov h HIS 299 Cb 0.33 0.33 0.00 0.00 1.06 0.00 0.00 27.41 29.13 3hov h HIS 299 CO 0.02 -0.50 0.15 0.28 0.86 0.00 0.00 177.93 178.74 3hov n VAL 300 N -5.46 0.92 -0.10 2.45 0.31 -0.02 -0.15 118.33 116.27 3hov n VAL 300 Ca -0.11 0.71 -0.23 0.00 -0.01 0.00 0.00 64.34 64.69 3hov n VAL 300 Cb 0.36 -1.71 -0.12 0.00 -0.91 0.00 0.00 33.84 31.46 3hov n VAL 300 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hov n ALA 301 N -1.63 1.12 -0.36 3.52 0.00 -0.43 -4.31 120.51 118.43 3hov n ALA 301 Ca -0.01 -0.89 0.05 0.00 0.00 0.00 0.00 53.44 52.60 3hov n ALA 301 Cb 0.17 -0.23 0.21 0.00 0.00 0.00 0.00 19.45 19.60 3hov n ALA 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hov h THR 302 N -0.51 0.97 -0.94 0.00 1.03 0.34 -1.22 112.91 112.59 3hov h THR 302 Ca -0.55 -0.36 0.03 0.00 -0.01 0.00 0.00 66.41 65.53 3hov h THR 302 Cb 1.72 -0.15 -0.05 0.00 -1.07 0.00 0.00 68.15 68.59 3hov h THR 302 CO -0.19 0.19 0.61 0.22 -0.01 0.00 0.00 175.52 176.34 3hov h TYR 303 N 1.04 1.14 0.00 0.00 3.20 -0.75 -3.21 116.97 118.39 3hov h TYR 303 Ca 0.47 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.33 3hov h TYR 303 Cb 0.37 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 3hov h TYR 303 CO -0.01 0.66 -0.37 0.52 -1.64 0.00 0.00 178.16 177.32 3hov h MET 304 N 1.18 0.00 -5.98 1.82 2.86 -1.66 -2.65 114.93 110.51 3hov h MET 304 Ca 0.37 0.00 -0.61 0.00 -2.06 0.00 0.00 59.70 57.40 3hov h MET 304 Cb 0.00 0.00 -0.30 0.00 0.06 0.00 0.00 31.60 31.36 3hov h MET 304 CO -0.11 0.33 -0.86 0.34 1.06 0.00 0.00 176.91 177.68 3hov s ASP 305 N -5.94 2.47 -0.04 1.22 -1.08 -0.49 -0.97 116.67 111.84 3hov s ASP 305 Ca -0.13 -0.38 0.09 0.00 -0.52 0.00 0.00 52.55 51.61 3hov s ASP 305 Cb 0.01 -0.34 0.16 0.00 -1.46 0.00 0.00 42.92 41.30 3hov s ASP 305 CO 0.28 0.25 1.08 -3.20 0.52 0.00 0.00 175.17 174.10 3hov n ASN 306 N 2.64 0.77 -2.52 -0.34 5.15 -1.23 -3.45 115.26 116.29 3hov n ASN 306 Ca -0.16 -2.35 -0.19 0.00 -0.60 0.00 0.00 54.58 51.29 3hov n ASN 306 Cb 0.53 -0.29 0.02 0.00 -0.53 0.00 0.00 39.78 39.51 3hov n ASN 306 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 3hov n ASP 307 N -0.27 3.41 -3.00 1.20 8.00 -1.26 -4.82 116.55 119.81 3hov n ASP 307 Ca 0.06 -3.26 0.00 0.00 0.71 0.00 0.00 54.79 52.30 3hov n ASP 307 Cb 0.77 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 3hov n ASP 307 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3hov n ILE 308 N -0.38 0.00 -0.11 0.53 5.41 -1.26 -5.04 119.36 118.50 3hov n ILE 308 Ca 0.27 0.00 -0.25 0.00 1.00 0.00 0.00 62.75 63.77 3hov n ILE 308 Cb 0.76 -1.37 -0.11 0.00 -0.71 0.00 0.00 39.64 38.20 3hov n ILE 308 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hov n ALA 309 N -3.00 1.10 -2.02 -1.39 0.00 -1.26 -4.68 120.51 109.26 3hov n ALA 309 Ca 0.00 -0.90 -0.27 0.00 0.00 0.00 0.00 53.44 52.28 3hov n ALA 309 Cb 0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 19.45 19.22 3hov n ALA 309 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hov s GLY 310 N -5.52 0.04 0.00 0.00 0.00 -1.26 -4.86 107.32 95.72 3hov s GLY 310 Ca -0.34 -1.97 0.00 0.00 0.00 0.00 0.00 44.72 42.41 3hov s GLY 310 CO 0.56 3.62 0.00 -1.06 0.00 0.00 0.00 173.10 176.22 3hov n GLN 311 N 8.37 0.00 -0.77 2.90 6.02 -1.26 -4.71 117.38 127.93 3hov n GLN 311 Ca 0.44 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 57.28 3hov n GLN 311 Cb 0.47 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.62 3hov n GLN 311 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 3hov n PRO 312 N -1.68 0.00 -0.52 -1.09 -0.02 -1.26 -4.64 135.00 125.79 3hov n PRO 312 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.39 3hov n PRO 312 Cb 0.00 -0.60 0.04 0.00 -0.02 0.00 0.00 33.50 32.92 3hov n PRO 312 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3hov n GLN 313 N 3.37 1.43 -2.04 -0.52 7.27 -1.26 -4.90 117.38 120.72 3hov n GLN 313 Ca 0.34 -0.94 -0.11 0.00 0.07 0.00 0.00 57.00 56.36 3hov n GLN 313 Cb 0.05 -1.37 0.01 0.00 2.41 0.00 0.00 30.24 31.34 3hov n GLN 313 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3hov n ALA 314 N 0.30 -1.44 -2.29 1.69 0.00 -1.26 -4.79 120.51 112.72 3hov n ALA 314 Ca 0.19 0.06 -0.30 0.00 0.00 0.00 0.00 53.44 53.38 3hov n ALA 314 Cb 0.74 -0.58 -0.04 0.00 0.00 0.00 0.00 19.45 19.57 3hov n ALA 314 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3hov s LEU 315 N -1.26 3.95 0.44 0.00 2.34 -1.26 -4.48 118.68 118.41 3hov s LEU 315 Ca 0.09 1.02 -0.01 0.00 0.06 0.00 0.00 54.13 55.29 3hov s LEU 315 Cb -0.01 -3.86 -0.02 0.00 -0.56 0.00 0.00 46.19 41.74 3hov s LEU 315 CO 0.28 -0.29 0.68 -1.58 -1.06 0.00 0.00 176.35 174.38 3hov s GLN 316 N -3.56 3.25 -0.84 1.48 0.74 0.94 -4.86 119.66 116.80 3hov s GLN 316 Ca 0.49 -0.28 -0.31 0.00 0.05 0.00 0.00 55.36 55.31 3hov s GLN 316 Cb -0.10 -2.53 -0.19 0.00 1.10 0.00 0.00 33.01 31.29 3hov s GLN 316 CO 0.28 -0.19 2.59 0.36 -0.55 0.00 0.00 175.29 177.78 3hov n LYS 317 N -2.08 0.24 0.00 1.67 2.85 -1.26 0.43 118.16 120.01 3hov n LYS 317 Ca -0.00 0.01 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 3hov n LYS 317 Cb 0.57 -1.90 0.00 0.00 -0.65 0.00 0.00 35.03 33.04 3hov n LYS 317 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 3hov n SER 318 N 11.27 0.00 0.00 -5.58 3.41 -1.26 -4.80 113.62 116.66 3hov n SER 318 Ca 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 3hov n SER 318 Cb 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 3hov n SER 318 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hov n GLY 319 N 0.00 2.93 3.66 5.00 0.00 0.17 -5.02 105.19 111.93 3hov n GLY 319 Ca 0.00 -0.02 -0.45 0.00 0.00 0.00 0.00 46.02 45.55 3hov n GLY 319 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3hov n ARG 320 N 0.00 2.57 -0.35 1.61 0.00 -1.25 -4.45 116.66 114.78 3hov n ARG 320 Ca 0.00 0.94 0.28 0.00 -0.00 0.00 0.00 57.85 59.06 3hov n ARG 320 Cb 0.00 -2.88 0.53 0.00 0.00 0.00 0.00 32.46 30.11 3hov n ARG 320 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 3hov h PRO 321 N 10.26 0.23 -0.68 -0.14 0.11 -1.87 0.27 132.00 140.18 3hov h PRO 321 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3hov h PRO 321 Cb 1.25 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3hov h PRO 321 CO 0.95 0.16 0.00 1.55 -0.21 0.00 0.00 178.00 180.44 3hov n VAL 322 N -4.96 -0.82 -2.04 3.15 3.14 -1.26 -4.10 118.33 111.43 3hov n VAL 322 Ca 0.33 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 61.29 3hov n VAL 322 Cb 1.11 -1.09 -0.03 0.00 -1.06 0.00 0.00 33.84 32.77 3hov n VAL 322 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 3hov s LYS 323 N -1.96 4.22 0.39 1.45 3.01 -1.26 -4.89 119.74 120.69 3hov s LYS 323 Ca 0.00 2.18 -0.15 0.00 -1.01 0.00 0.00 55.97 56.98 3hov s LYS 323 Cb 0.00 -3.70 -0.09 0.00 -1.01 0.00 0.00 37.83 33.03 3hov s LYS 323 CO 0.00 -0.72 0.82 -1.54 0.51 0.00 0.00 175.35 174.42 3hov s SER 324 N 2.52 6.73 0.23 2.83 1.04 -1.26 -4.73 113.70 121.06 3hov s SER 324 Ca 0.71 1.36 -0.07 0.00 0.48 0.00 0.00 55.95 58.43 3hov s SER 324 Cb -0.35 -2.41 0.39 0.00 0.10 0.00 0.00 66.02 63.74 3hov s SER 324 CO 0.30 -0.33 1.72 0.40 0.98 0.00 0.00 173.24 176.30 3hov h ILE 325 N 1.63 0.64 -0.94 -1.02 2.04 -1.06 0.35 117.51 119.15 3hov h ILE 325 Ca -0.48 -0.12 0.23 0.00 1.00 0.00 0.00 64.86 65.49 3hov h ILE 325 Cb 1.18 0.26 -0.06 0.00 -0.74 0.00 0.00 36.82 37.45 3hov h ILE 325 CO 0.64 0.06 0.63 -0.09 0.00 0.00 0.00 178.15 179.39 3hov h ARG 326 N 0.35 0.29 -0.24 2.37 2.43 -1.33 0.27 114.38 118.52 3hov h ARG 326 Ca 0.37 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.40 3hov h ARG 326 Cb 0.56 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 3hov h ARG 326 CO -0.41 0.19 -0.37 0.00 -1.51 0.00 0.00 179.97 177.87 3hov h ALA 327 N 1.59 0.91 -0.86 2.80 0.00 -0.54 -2.89 119.26 120.27 3hov h ALA 327 Ca 0.49 -0.42 0.06 0.00 0.00 0.00 0.00 54.91 55.03 3hov h ALA 327 Cb 1.40 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 3hov h ALA 327 CO -0.15 0.63 0.56 0.00 0.00 0.00 0.00 179.25 180.29 3hov h ARG 328 N 0.44 0.97 0.00 0.00 3.08 -0.10 -2.98 114.38 115.79 3hov h ARG 328 Ca 0.04 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3hov h ARG 328 Cb 0.85 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.68 3hov h ARG 328 CO 0.07 0.64 -0.97 1.28 -1.07 0.00 0.00 179.97 179.92 3hov n LEU 329 N -4.48 0.70 -4.66 3.04 4.77 -1.17 -1.14 117.00 114.06 3hov n LEU 329 Ca 0.12 0.19 -0.44 0.00 -0.03 0.00 0.00 56.01 55.86 3hov n LEU 329 Cb 0.18 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.15 3hov n LEU 329 CO 0.33 -0.08 0.82 1.17 -1.33 0.00 0.00 177.39 178.30 3hov n LYS 330 N -2.32 1.84 -0.43 3.23 4.81 -1.10 -3.54 118.16 120.65 3hov n LYS 330 Ca 0.01 0.65 -0.15 0.00 -0.87 0.00 0.00 58.31 57.95 3hov n LYS 330 Cb 0.49 -2.18 -0.01 0.00 0.02 0.00 0.00 35.03 33.35 3hov n LYS 330 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hov n GLY 331 N 1.24 -0.52 1.47 3.14 0.00 -1.26 -2.73 105.19 106.54 3hov n GLY 331 Ca 0.08 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3hov n GLY 331 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hov n LYS 332 N 0.31 -2.94 0.00 1.61 4.81 -1.26 -3.87 118.16 116.82 3hov n LYS 332 Ca 0.06 2.18 0.00 0.00 -0.87 0.00 0.00 58.31 59.67 3hov n LYS 332 Cb 0.07 -2.66 0.00 0.00 0.02 0.00 0.00 35.03 32.47 3hov n LYS 332 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3hov n GLU 333 N -0.74 0.00 -0.06 1.64 -0.58 -1.26 -4.77 120.64 114.86 3hov n GLU 333 Ca 0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.71 3hov n GLU 333 Cb 0.00 -3.10 0.03 0.00 -0.57 0.00 0.00 31.44 27.80 3hov n GLU 333 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hov n GLY 334 N -1.20 -3.09 0.08 0.62 0.00 -1.10 -4.61 105.19 95.88 3hov n GLY 334 Ca 0.00 -1.35 -0.11 0.00 0.00 0.00 0.00 46.02 44.56 3hov n GLY 334 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3hov h ARG 335 N 0.00 -0.05 0.00 1.61 9.65 -1.18 -2.39 114.38 122.02 3hov h ARG 335 Ca -0.04 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 3hov h ARG 335 Cb 0.12 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.71 3hov h ARG 335 CO 0.02 0.61 0.00 -0.89 2.80 0.00 0.00 179.97 182.51 3hov n ILE 336 N -4.74 0.00 0.04 1.20 2.08 -1.26 -1.80 119.36 114.88 3hov n ILE 336 Ca -0.08 1.25 0.15 0.00 0.56 0.00 0.00 62.75 64.63 3hov n ILE 336 Cb 0.33 -2.24 0.62 0.00 -0.75 0.00 0.00 39.64 37.60 3hov n ILE 336 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 3hov h ARG 337 N 0.00 0.13 -0.02 0.38 2.47 -1.82 -0.96 114.38 114.56 3hov h ARG 337 Ca 0.00 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 3hov h ARG 337 Cb 0.00 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.29 3hov h ARG 337 CO 0.00 0.09 0.00 0.41 0.56 0.00 0.00 179.97 181.03 3hov n GLY 338 N -1.58 -0.51 0.00 0.04 0.00 -0.90 -4.02 105.19 98.22 3hov n GLY 338 Ca 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3hov n GLY 338 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hov n ASN 339 N 0.28 4.15 -0.06 1.61 3.02 -0.74 -4.48 115.26 119.03 3hov n ASN 339 Ca 0.03 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.45 3hov n ASN 339 Cb 0.16 0.60 -0.04 0.00 -0.61 0.00 0.00 39.78 39.88 3hov n ASN 339 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3hov n LEU 340 N -1.52 0.98 0.00 3.41 4.77 -0.82 -4.54 117.00 119.27 3hov n LEU 340 Ca 0.00 0.17 0.10 0.00 -0.03 0.00 0.00 56.01 56.25 3hov n LEU 340 Cb 0.23 -0.40 0.52 0.00 -2.33 0.00 0.00 43.42 41.44 3hov n LEU 340 CO 0.00 0.21 0.83 0.23 -1.33 0.00 0.00 177.39 177.33 3hov n MET 341 N -3.62 0.26 -3.57 3.23 2.81 -0.43 -4.69 117.12 111.10 3hov n MET 341 Ca -0.25 0.09 -0.10 0.00 -1.81 0.00 0.00 57.70 55.64 3hov n MET 341 Cb 0.65 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 31.61 3hov n MET 341 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3hov s GLY 342 N -2.64 -0.28 0.07 3.03 0.00 -1.26 -5.02 107.32 101.24 3hov s GLY 342 Ca 0.19 1.95 -0.27 0.00 0.00 0.00 0.00 44.72 46.58 3hov s GLY 342 CO 0.33 0.95 0.96 -1.59 0.00 0.00 0.00 173.10 173.76 3hov s LYS 343 N -1.33 0.97 0.33 2.90 -2.85 -1.26 -2.69 119.74 115.81 3hov s LYS 343 Ca -0.00 -0.48 -0.27 0.00 -1.00 0.00 0.00 55.97 54.22 3hov s LYS 343 Cb -0.01 0.37 -0.09 0.00 -2.06 0.00 0.00 37.83 36.04 3hov s LYS 343 CO 0.00 -0.44 1.00 1.03 0.10 0.00 0.00 175.35 177.04 3hov s ARG 344 N -3.13 4.51 0.07 1.78 0.52 -1.26 -5.05 118.95 116.38 3hov s ARG 344 Ca 0.10 1.48 0.02 0.00 -0.52 0.00 0.00 55.73 56.80 3hov s ARG 344 Cb -0.01 -2.85 -0.03 0.00 0.52 0.00 0.00 34.95 32.58 3hov s ARG 344 CO -0.03 0.18 -0.07 0.14 0.02 0.00 0.00 175.30 175.55 3hov s VAL 345 N -1.50 0.57 0.88 3.52 -7.23 -1.26 -5.16 120.40 110.22 3hov s VAL 345 Ca 0.50 -1.57 -0.12 0.00 -1.81 0.00 0.00 61.98 58.99 3hov s VAL 345 Cb -0.23 -1.21 0.12 0.00 0.56 0.00 0.00 36.38 35.62 3hov s VAL 345 CO 0.29 -0.69 1.13 -1.81 -0.31 0.00 0.00 175.10 173.71 3hov s ASP 346 N -2.43 3.79 -0.75 4.85 1.01 -1.26 -4.50 116.67 117.38 3hov s ASP 346 Ca 0.02 1.01 -0.03 0.00 0.71 0.00 0.00 52.55 54.26 3hov s ASP 346 Cb -0.01 -1.61 0.00 0.00 1.01 0.00 0.00 42.92 42.32 3hov s ASP 346 CO -0.03 -2.38 0.65 0.49 0.21 0.00 0.00 175.17 174.11 3hov n PHE 347 N -3.66 -2.60 -3.63 4.23 3.01 -1.26 -4.90 117.46 108.65 3hov n PHE 347 Ca 0.07 1.02 -0.15 0.00 1.01 0.00 0.00 57.45 59.40 3hov n PHE 347 Cb 0.59 -3.44 -0.07 0.00 -0.01 0.00 0.00 39.48 36.55 3hov n PHE 347 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3hov s SER 348 N -2.91 -0.41 0.10 4.37 1.04 -1.26 -2.94 113.70 111.69 3hov s SER 348 Ca 0.03 0.31 -0.05 0.00 0.48 0.00 0.00 55.95 56.71 3hov s SER 348 Cb -0.01 0.44 -0.02 0.00 0.10 0.00 0.00 66.02 66.53 3hov s SER 348 CO 0.82 -0.59 0.12 0.00 0.98 0.00 0.00 173.24 174.58 3hov s ALA 349 N -1.67 0.23 -0.28 5.32 0.00 0.43 -4.95 121.76 120.83 3hov s ALA 349 Ca -0.10 -0.99 -0.15 0.00 0.00 0.00 0.00 51.96 50.72 3hov s ALA 349 Cb -0.02 0.58 0.10 0.00 0.00 0.00 0.00 23.12 23.78 3hov s ALA 349 CO 0.04 -0.50 0.73 0.50 0.00 0.00 0.00 175.76 176.53 3hov s ARG 350 N -3.93 0.64 0.24 0.00 3.52 -1.26 -0.03 118.95 118.12 3hov s ARG 350 Ca 0.12 1.18 -0.19 0.00 -0.13 0.00 0.00 55.73 56.71 3hov s ARG 350 Cb 0.06 0.25 0.02 0.00 -1.56 0.00 0.00 34.95 33.72 3hov s ARG 350 CO -0.06 -0.15 0.63 0.95 -0.81 0.00 0.00 175.30 175.86 3hov s THR 351 N 1.82 0.01 0.37 4.11 -4.23 -1.22 -4.98 115.64 111.52 3hov s THR 351 Ca -0.09 -0.90 -0.27 0.00 -1.18 0.00 0.00 61.69 59.26 3hov s THR 351 Cb -0.06 -1.82 -0.11 0.00 1.34 0.00 0.00 72.50 71.84 3hov s THR 351 CO -0.19 -0.03 1.21 0.52 -0.54 0.00 0.00 174.62 175.59 3hov n VAL 352 N -0.41 2.25 -4.18 2.29 0.31 -1.26 -3.18 118.33 114.14 3hov n VAL 352 Ca -0.06 -0.50 -0.24 0.00 -0.01 0.00 0.00 64.34 63.52 3hov n VAL 352 Cb 0.61 -1.44 -0.06 0.00 -0.91 0.00 0.00 33.84 32.04 3hov n VAL 352 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 3hov s ILE 353 N -1.15 3.99 -0.14 2.52 -4.36 -0.72 -2.14 121.20 119.19 3hov s ILE 353 Ca 0.59 -1.48 -0.15 0.00 -0.26 0.00 0.00 60.65 59.34 3hov s ILE 353 Cb -0.56 -3.08 0.04 0.00 1.25 0.00 0.00 42.46 40.11 3hov s ILE 353 CO 0.60 -0.24 0.43 -0.94 0.24 0.00 0.00 174.94 175.02 3hov s SER 354 N -3.40 -0.43 0.61 4.36 1.04 -0.64 -4.75 113.70 110.49 3hov s SER 354 Ca 0.30 0.79 -0.17 0.00 0.48 0.00 0.00 55.95 57.35 3hov s SER 354 Cb -0.08 0.81 -0.03 0.00 0.10 0.00 0.00 66.02 66.82 3hov s SER 354 CO 0.21 -0.19 1.12 -0.83 0.98 0.00 0.00 173.24 174.53 3hov s GLY 355 N 0.03 2.35 -0.20 7.32 0.00 -1.26 -2.94 107.32 112.62 3hov s GLY 355 Ca -0.02 0.66 -0.04 0.00 0.00 0.00 0.00 44.72 45.32 3hov s GLY 355 CO 0.01 1.01 0.20 -0.35 0.00 0.00 0.00 173.10 173.97 3hov s ASP 356 N -2.25 1.60 0.00 1.64 -1.08 -0.84 -4.86 116.67 110.87 3hov s ASP 356 Ca 0.69 -0.32 0.00 0.00 -0.52 0.00 0.00 52.55 52.40 3hov s ASP 356 Cb -0.22 0.25 0.00 0.00 -1.46 0.00 0.00 42.92 41.50 3hov s ASP 356 CO 0.35 -0.33 0.48 -0.81 0.52 0.00 0.00 175.17 175.38 3hov n PRO 357 N 5.31 0.74 -0.01 4.34 -0.04 -1.26 -2.99 135.00 141.08 3hov n PRO 357 Ca -0.06 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.41 3hov n PRO 357 Cb 0.49 -1.26 0.01 0.00 -0.04 0.00 0.00 33.50 32.71 3hov n PRO 357 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3hov n ASN 358 N -0.06 1.48 -4.91 3.54 3.02 -1.26 -4.66 115.26 112.42 3hov n ASN 358 Ca 0.00 -1.38 -0.32 0.00 -0.03 0.00 0.00 54.58 52.85 3hov n ASN 358 Cb 0.13 -0.01 -0.04 0.00 -0.61 0.00 0.00 39.78 39.24 3hov n ASN 358 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3hov s LEU 359 N -0.43 4.32 0.65 3.41 1.43 -1.16 -5.09 118.68 121.81 3hov s LEU 359 Ca 0.03 0.27 -0.16 0.00 -1.03 0.00 0.00 54.13 53.23 3hov s LEU 359 Cb 0.02 -2.84 -0.01 0.00 0.03 0.00 0.00 46.19 43.39 3hov s LEU 359 CO 0.02 0.19 1.15 -1.61 0.23 0.00 0.00 176.35 176.33 3hov s GLU 360 N -2.36 2.77 0.26 1.70 0.41 -1.26 -4.73 118.70 115.48 3hov s GLU 360 Ca 0.33 1.56 -0.09 0.00 -0.41 0.00 0.00 54.97 56.36 3hov s GLU 360 Cb -0.13 -1.93 0.41 0.00 -1.78 0.00 0.00 34.13 30.70 3hov s GLU 360 CO 0.25 -1.31 1.58 1.25 -0.49 0.00 0.00 175.26 176.55 3hov h LEU 361 N 0.26 -0.80 -2.69 1.80 5.85 -1.96 -1.67 115.31 116.09 3hov h LEU 361 Ca -0.48 0.27 -0.07 0.00 0.84 0.00 0.00 57.88 58.44 3hov h LEU 361 Cb 1.27 0.54 -0.04 0.00 0.37 0.00 0.00 40.66 42.80 3hov h LEU 361 CO 0.54 -0.29 0.09 -0.90 -0.34 0.00 0.00 178.44 177.53 3hov n ASP 362 N -5.56 3.78 -4.67 1.25 3.85 -1.26 -4.43 116.55 109.51 3hov n ASP 362 Ca 0.14 -2.65 -0.20 0.00 -0.71 0.00 0.00 54.79 51.37 3hov n ASP 362 Cb 0.46 -0.63 0.08 0.00 -1.35 0.00 0.00 41.12 39.68 3hov n ASP 362 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3hov n GLN 363 N 0.19 0.34 -3.30 0.11 6.02 -0.63 0.43 117.38 120.53 3hov n GLN 363 Ca 0.21 -2.85 -0.03 0.00 -0.01 0.00 0.00 57.00 54.33 3hov n GLN 363 Cb 0.91 -0.39 -0.05 0.00 1.02 0.00 0.00 30.24 31.73 3hov n GLN 363 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3hov s VAL 364 N -2.66 -0.80 -0.14 5.09 0.11 0.46 -4.55 120.40 117.91 3hov s VAL 364 Ca 0.61 -0.02 -0.29 0.00 -2.93 0.00 0.00 61.98 59.35 3hov s VAL 364 Cb -0.04 -0.90 -0.05 0.00 -1.53 0.00 0.00 36.38 33.87 3hov s VAL 364 CO 0.39 -0.05 1.79 -0.83 -3.33 0.00 0.00 175.10 173.08 3hov s GLY 365 N 2.71 1.20 -0.22 6.54 0.00 0.29 -2.39 107.32 115.45 3hov s GLY 365 Ca 0.14 0.76 -0.04 0.00 0.00 0.00 0.00 44.72 45.58 3hov s GLY 365 CO -0.18 3.23 -0.03 0.14 0.00 0.00 0.00 173.10 176.26 3hov s VAL 366 N 5.39 3.46 0.22 1.40 1.01 -0.48 -1.63 120.40 129.77 3hov s VAL 366 Ca 0.80 -0.47 -0.32 0.00 0.00 0.00 0.00 61.98 61.99 3hov s VAL 366 Cb -0.31 -2.58 -0.14 0.00 0.00 0.00 0.00 36.38 33.35 3hov s VAL 366 CO 0.33 0.41 1.43 -0.81 0.00 0.00 0.00 175.10 176.46 3hov n PRO 367 N 4.81 2.02 -0.28 2.72 -0.04 -1.26 -0.74 135.00 142.23 3hov n PRO 367 Ca -0.18 0.72 0.10 0.00 -0.04 0.00 0.00 63.50 64.10 3hov n PRO 367 Cb 0.51 -2.40 0.25 0.00 -0.04 0.00 0.00 33.50 31.82 3hov n PRO 367 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3hov h LYS 368 N 4.51 0.38 -0.71 0.54 3.64 -0.64 0.21 116.57 124.50 3hov h LYS 368 Ca -0.45 -0.02 0.16 0.00 -1.27 0.00 0.00 60.65 59.07 3hov h LYS 368 Cb 1.27 -0.08 -0.12 0.00 -0.41 0.00 0.00 32.23 32.89 3hov h LYS 368 CO 0.78 0.25 0.06 1.03 -2.27 0.00 0.00 179.45 179.30 3hov h SER 369 N 0.39 -0.22 0.17 4.20 0.87 -1.89 -0.64 113.55 116.44 3hov h SER 369 Ca 0.49 0.17 -0.21 0.00 -1.23 0.00 0.00 61.79 61.02 3hov h SER 369 Cb 0.87 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 3hov h SER 369 CO -0.50 -0.12 -0.81 0.40 -0.53 0.00 0.00 176.83 175.27 3hov h ILE 370 N 0.15 1.36 -0.15 2.23 2.04 -1.36 -3.03 117.51 118.75 3hov h ILE 370 Ca 0.39 -2.18 0.03 0.00 1.00 0.00 0.00 64.86 64.10 3hov h ILE 370 Cb 0.68 2.17 -0.01 0.00 -0.74 0.00 0.00 36.82 38.92 3hov h ILE 370 CO -0.58 0.66 0.10 0.00 0.00 0.00 0.00 178.15 178.33 3hov h ALA 371 N 0.77 2.08 -0.00 1.87 0.00 0.05 -1.43 119.26 122.59 3hov h ALA 371 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3hov h ALA 371 Cb 1.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3hov h ALA 371 CO 0.15 -0.11 -0.15 1.63 0.00 0.00 0.00 179.25 180.76 3hov n LYS 372 N -4.50 0.29 -0.10 0.00 5.02 -0.44 -2.82 118.16 115.61 3hov n LYS 372 Ca 0.00 -0.09 -0.14 0.00 -2.02 0.00 0.00 58.31 56.07 3hov n LYS 372 Cb 0.20 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.66 3hov n LYS 372 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3hov n THR 373 N -1.28 1.49 -1.97 -0.18 -1.04 -0.59 -4.94 114.28 105.78 3hov n THR 373 Ca 0.10 0.02 -0.40 0.00 -2.04 0.00 0.00 64.05 61.73 3hov n THR 373 Cb 0.31 -2.23 -0.01 0.00 -1.82 0.00 0.00 70.33 66.58 3hov n THR 373 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3hov s LEU 374 N -7.87 4.31 0.27 -4.42 1.43 -0.93 -5.02 118.68 106.45 3hov s LEU 374 Ca -0.29 2.82 0.02 0.00 -1.03 0.00 0.00 54.13 55.65 3hov s LEU 374 Cb 0.06 -3.74 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 3hov s LEU 374 CO 0.42 -0.78 0.14 0.28 0.23 0.00 0.00 176.35 176.63 3hov s THR 375 N -1.17 0.35 -0.02 5.49 -1.32 -1.26 -3.22 115.64 114.50 3hov s THR 375 Ca 0.53 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 59.02 3hov s THR 375 Cb -0.42 -2.55 0.02 0.00 -1.51 0.00 0.00 72.50 68.04 3hov s THR 375 CO 0.56 0.00 -0.00 -0.47 -2.21 0.00 0.00 174.62 172.50 3hov s TYR 376 N -3.73 0.20 -1.04 9.09 5.04 0.23 -4.85 117.35 122.29 3hov s TYR 376 Ca 0.37 0.02 -0.21 0.00 -2.44 0.00 0.00 57.07 54.81 3hov s TYR 376 Cb 0.06 -0.26 0.08 0.00 0.35 0.00 0.00 41.96 42.19 3hov s TYR 376 CO 0.16 -0.07 1.41 -1.25 -1.34 0.00 0.00 175.55 174.45 3hov s PRO 377 N 0.62 3.67 0.15 4.97 0.04 -1.26 -0.62 135.00 142.57 3hov s PRO 377 Ca -0.06 -1.47 -0.15 0.00 0.04 0.00 0.00 61.00 59.37 3hov s PRO 377 Cb -0.09 -5.26 -0.07 0.00 0.04 0.00 0.00 34.50 29.13 3hov s PRO 377 CO -0.01 -2.09 0.56 -2.00 0.04 0.00 0.00 177.00 173.50 3hov s GLU 378 N 4.14 4.00 -0.12 4.56 2.12 -0.66 -4.89 118.70 127.86 3hov s GLU 378 Ca 0.44 0.51 -0.12 0.00 0.36 0.00 0.00 54.97 56.16 3hov s GLU 378 Cb -0.01 -2.94 -0.05 0.00 0.26 0.00 0.00 34.13 31.39 3hov s GLU 378 CO -0.07 0.48 0.26 0.08 -0.54 0.00 0.00 175.26 175.47 3hov s VAL 379 N -1.45 5.31 -0.11 3.70 1.01 -1.26 -0.07 120.40 127.53 3hov s VAL 379 Ca 0.38 0.48 -0.29 0.00 0.00 0.00 0.00 61.98 62.55 3hov s VAL 379 Cb -0.15 -3.57 -0.06 0.00 0.00 0.00 0.00 36.38 32.60 3hov s VAL 379 CO 0.19 0.50 1.93 -0.69 0.00 0.00 0.00 175.10 177.03 3hov s VAL 380 N -0.30 3.24 0.04 2.92 1.01 0.44 -4.90 120.40 122.84 3hov s VAL 380 Ca 0.17 0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.45 3hov s VAL 380 Cb -0.13 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 3hov s VAL 380 CO 0.05 -0.09 -0.10 -0.89 0.00 0.00 0.00 175.10 174.08 3hov s THR 381 N 5.76 0.75 0.54 3.92 2.01 -1.26 -0.77 115.64 126.59 3hov s THR 381 Ca 0.86 -0.97 0.37 0.00 0.31 0.00 0.00 61.69 62.26 3hov s THR 381 Cb -0.34 -0.74 0.56 0.00 0.01 0.00 0.00 72.50 71.99 3hov s THR 381 CO 0.35 -0.19 1.78 1.55 -0.69 0.00 0.00 174.62 177.42 3hov h PRO 382 N 4.79 0.02 -0.56 4.92 0.13 -2.00 1.19 132.00 140.48 3hov h PRO 382 Ca -0.36 -0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.72 3hov h PRO 382 Cb 1.19 -0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 3hov h PRO 382 CO 0.43 0.01 0.14 1.88 -0.23 0.00 0.00 178.00 180.23 3hov h TYR 383 N 0.02 0.89 0.00 1.56 0.99 -1.97 -3.32 116.97 115.14 3hov h TYR 383 Ca 0.60 -0.08 0.00 0.00 2.00 0.00 0.00 58.73 61.25 3hov h TYR 383 Cb 2.38 -0.26 0.00 0.00 1.00 0.00 0.00 36.73 39.84 3hov h TYR 383 CO -0.00 0.74 0.00 0.27 -0.00 0.00 0.00 178.16 179.17 3hov n ASN 384 N -4.27 1.69 -0.24 3.88 0.23 0.36 -4.78 115.26 112.12 3hov n ASN 384 Ca 0.04 -1.81 0.05 0.00 -0.53 0.00 0.00 54.58 52.32 3hov n ASN 384 Cb 0.23 0.00 0.17 0.00 -2.08 0.00 0.00 39.78 38.10 3hov n ASN 384 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 3hov h ILE 385 N 0.37 0.57 0.58 1.53 1.08 -0.28 -1.41 117.51 119.95 3hov h ILE 385 Ca 0.00 -0.11 -0.03 0.00 -0.39 0.00 0.00 64.86 64.33 3hov h ILE 385 Cb 0.53 0.24 0.01 0.00 -3.07 0.00 0.00 36.82 34.52 3hov h ILE 385 CO 0.00 0.06 -0.28 0.44 -0.69 0.00 0.00 178.15 177.68 3hov h ASP 386 N 0.31 -0.66 -0.23 1.72 3.32 -1.85 -1.12 116.42 117.91 3hov h ASP 386 Ca 0.40 -0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.46 3hov h ASP 386 Cb 0.64 0.17 -0.04 0.00 0.22 0.00 0.00 39.33 40.32 3hov h ASP 386 CO -0.46 -0.37 -0.03 -0.09 -1.72 0.00 0.00 179.24 176.57 3hov h ARG 387 N -0.93 0.03 -0.85 3.56 2.43 -1.84 -2.19 114.38 114.59 3hov h ARG 387 Ca -0.08 -0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.20 3hov h ARG 387 Cb 0.65 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.11 3hov h ARG 387 CO 0.13 0.02 0.48 -0.07 -1.51 0.00 0.00 179.97 179.02 3hov h LEU 388 N 0.03 0.66 -1.27 3.80 3.38 -1.26 -0.92 115.31 119.74 3hov h LEU 388 Ca 0.11 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 3hov h LEU 388 Cb 0.15 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3hov h LEU 388 CO -0.21 0.35 -0.24 0.74 0.09 0.00 0.00 178.44 179.17 3hov h THR 389 N 0.77 1.22 -0.55 0.22 2.02 -0.63 0.09 112.91 116.05 3hov h THR 389 Ca 0.43 -1.03 -0.11 0.00 0.77 0.00 0.00 66.41 66.47 3hov h THR 389 Cb 0.47 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.26 3hov h THR 389 CO -0.28 0.31 -0.10 -0.61 0.37 0.00 0.00 175.52 175.21 3hov h GLN 390 N 0.18 1.03 -0.29 6.66 5.75 -0.61 -0.16 115.11 127.66 3hov h GLN 390 Ca 0.03 -0.37 -0.07 0.00 -0.15 0.00 0.00 58.65 58.09 3hov h GLN 390 Cb 0.52 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.00 3hov h GLN 390 CO 0.04 1.06 -0.09 -0.07 -2.65 0.00 0.00 178.83 177.12 3hov h LEU 391 N 0.91 0.59 -0.62 -2.39 3.38 -0.61 0.87 115.31 117.43 3hov h LEU 391 Ca 0.14 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3hov h LEU 391 Cb 0.67 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 3hov h LEU 391 CO 0.05 0.83 0.41 0.58 0.09 0.00 0.00 178.44 180.39 3hov h VAL 392 N 0.34 1.16 -0.48 1.22 2.07 -0.83 -1.21 116.25 118.52 3hov h VAL 392 Ca 0.07 -0.31 -0.12 0.00 0.82 0.00 0.00 66.70 67.16 3hov h VAL 392 Cb 0.58 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3hov h VAL 392 CO 0.03 0.16 -0.19 -0.09 0.02 0.00 0.00 177.57 177.50 3hov h ARG 393 N 0.84 0.95 -0.50 1.57 2.43 -0.85 -2.74 114.38 116.09 3hov h ARG 393 Ca 0.23 -0.39 0.13 0.00 -0.81 0.00 0.00 59.98 59.14 3hov h ARG 393 Cb -0.09 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 3hov h ARG 393 CO -0.05 1.05 0.35 -0.91 -1.51 0.00 0.00 179.97 178.91 3hov h ASN 394 N 0.83 0.08 -4.54 -3.80 2.35 0.19 -3.48 115.58 107.21 3hov h ASN 394 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3hov h ASN 394 Cb 0.75 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.11 3hov h ASN 394 CO 0.06 0.04 0.00 0.61 -1.65 0.00 0.00 177.43 176.49 3hov n GLY 395 N -1.61 -0.15 0.37 2.83 0.00 -0.60 -4.29 105.19 101.74 3hov n GLY 395 Ca 0.09 -1.76 0.07 0.00 0.00 0.00 0.00 46.02 44.42 3hov n GLY 395 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hov n PRO 396 N -0.04 1.48 -0.06 1.61 -0.04 -1.00 -2.12 135.00 134.84 3hov n PRO 396 Ca 0.00 -0.73 -0.08 0.00 -0.04 0.00 0.00 63.50 62.65 3hov n PRO 396 Cb 0.00 -1.27 -0.06 0.00 -0.04 0.00 0.00 33.50 32.13 3hov n PRO 396 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3hov n ASN 397 N 0.01 2.98 -4.76 3.54 4.13 -1.26 -4.90 115.26 115.01 3hov n ASN 397 Ca 0.12 -0.05 -0.30 0.00 1.68 0.00 0.00 54.58 56.02 3hov n ASN 397 Cb 0.21 0.01 0.11 0.00 -1.54 0.00 0.00 39.78 38.57 3hov n ASN 397 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 3hov s GLU 398 N -2.24 1.84 0.00 3.52 2.02 -1.26 -5.02 118.70 117.56 3hov s GLU 398 Ca -0.14 0.90 0.00 0.00 0.02 0.00 0.00 54.97 55.76 3hov s GLU 398 Cb 0.04 -1.87 0.00 0.00 0.10 0.00 0.00 34.13 32.40 3hov s GLU 398 CO 0.30 -1.86 0.00 1.58 0.02 0.00 0.00 175.26 175.30 3hov n HIS 399 N -3.64 0.00 -1.40 1.61 -0.00 -1.26 -4.10 115.22 106.43 3hov n HIS 399 Ca 0.08 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.67 3hov n HIS 399 Cb 0.55 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.42 3hov n HIS 399 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 3hov n PRO 400 N 0.00 0.15 0.00 1.57 -0.02 -1.26 -4.64 135.00 130.80 3hov n PRO 400 Ca 0.00 -0.51 0.00 0.00 -2.02 0.00 0.00 63.50 60.97 3hov n PRO 400 Cb 0.00 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 3hov n PRO 400 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hov n GLY 401 N 5.67 5.47 3.50 -1.23 0.00 -1.26 -4.70 105.19 112.64 3hov n GLY 401 Ca 0.41 -1.14 -0.17 0.00 0.00 0.00 0.00 46.02 45.12 3hov n GLY 401 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hov s ALA 402 N -2.00 -1.73 -0.22 4.61 0.00 -0.90 -1.57 121.76 119.95 3hov s ALA 402 Ca 0.00 1.17 0.03 0.00 0.00 0.00 0.00 51.96 53.16 3hov s ALA 402 Cb 0.00 0.16 -0.16 0.00 0.00 0.00 0.00 23.12 23.12 3hov s ALA 402 CO 0.00 -0.44 -0.18 1.63 0.00 0.00 0.00 175.76 176.77 3hov n LYS 403 N 0.69 0.62 -4.08 0.00 5.02 -0.84 -2.39 118.16 117.18 3hov n LYS 403 Ca -0.19 0.12 -0.13 0.00 -2.02 0.00 0.00 58.31 56.09 3hov n LYS 403 Cb 0.58 -1.46 -0.11 0.00 -0.02 0.00 0.00 35.03 34.02 3hov n LYS 403 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3hov s TYR 404 N -2.45 0.74 -0.12 2.13 1.51 -1.21 -2.04 117.35 115.91 3hov s TYR 404 Ca -0.29 -0.51 0.01 0.00 -1.01 0.00 0.00 57.07 55.27 3hov s TYR 404 Cb 0.08 -0.44 0.02 0.00 -0.11 0.00 0.00 41.96 41.50 3hov s TYR 404 CO 0.55 -0.07 -0.14 0.08 -1.11 0.00 0.00 175.55 174.86 3hov s VAL 405 N -1.47 1.46 -0.23 0.71 1.01 -1.01 0.05 120.40 120.91 3hov s VAL 405 Ca -0.08 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 3hov s VAL 405 Cb -0.09 -1.35 -0.00 0.00 0.00 0.00 0.00 36.38 34.94 3hov s VAL 405 CO 0.00 0.43 -0.04 -0.63 0.00 0.00 0.00 175.10 174.87 3hov s ILE 406 N 1.15 3.33 0.73 2.22 1.01 0.11 -1.03 121.20 128.73 3hov s ILE 406 Ca -0.03 -0.59 -0.11 0.00 0.00 0.00 0.00 60.65 59.91 3hov s ILE 406 Cb -0.14 -2.56 0.03 0.00 0.01 0.00 0.00 42.46 39.80 3hov s ILE 406 CO -0.04 0.36 1.10 -0.13 0.00 0.00 0.00 174.94 176.23 3hov s ARG 407 N 1.46 2.62 0.19 2.79 0.52 -1.17 -0.82 118.95 124.53 3hov s ARG 407 Ca 0.05 0.48 -0.12 0.00 -0.52 0.00 0.00 55.73 55.62 3hov s ARG 407 Cb -0.15 -1.99 0.18 0.00 0.52 0.00 0.00 34.95 33.51 3hov s ARG 407 CO -0.03 -1.21 1.77 0.38 0.02 0.00 0.00 175.30 176.23 3hov h ASP 408 N -0.78 0.29 0.00 0.23 3.04 -1.92 -3.00 116.42 114.28 3hov h ASP 408 Ca -0.45 0.05 -0.57 0.00 -3.24 0.00 0.00 57.03 52.82 3hov h ASP 408 Cb 1.26 0.01 0.03 0.00 -1.04 0.00 0.00 39.33 39.58 3hov h ASP 408 CO 0.63 0.19 2.57 -1.54 -2.04 0.00 0.00 179.24 179.05 3hov n SER 409 N -4.94 3.76 0.00 4.15 3.41 -1.26 -4.79 113.62 113.95 3hov n SER 409 Ca 0.06 -2.57 0.00 0.00 -0.26 0.00 0.00 58.87 56.10 3hov n SER 409 Cb 0.19 -1.19 0.00 0.00 -0.26 0.00 0.00 64.21 62.95 3hov n SER 409 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hov n GLY 410 N 4.18 0.00 3.25 5.00 0.00 -1.13 -4.90 105.19 111.59 3hov n GLY 410 Ca 0.49 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.40 3hov n GLY 410 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hov s ASP 411 N 0.00 -0.46 -0.14 1.61 2.15 -1.26 -5.02 116.67 113.55 3hov s ASP 411 Ca 0.00 0.83 -0.22 0.00 0.43 0.00 0.00 52.55 53.59 3hov s ASP 411 Cb 0.00 0.74 -0.03 0.00 -0.30 0.00 0.00 42.92 43.33 3hov s ASP 411 CO 0.00 -0.18 0.67 -0.13 -0.17 0.00 0.00 175.17 175.37 3hov s ARG 412 N 1.10 4.31 -0.30 4.34 0.52 -1.26 -3.05 118.95 124.61 3hov s ARG 412 Ca -0.07 0.75 -0.12 0.00 -0.52 0.00 0.00 55.73 55.77 3hov s ARG 412 Cb -0.07 -3.52 -0.04 0.00 0.52 0.00 0.00 34.95 31.84 3hov s ARG 412 CO -0.09 -0.12 0.24 0.42 0.02 0.00 0.00 175.30 175.76 3hov s ILE 413 N 1.47 5.28 -0.76 1.52 1.01 -0.19 -4.98 121.20 124.55 3hov s ILE 413 Ca 0.33 0.09 -0.21 0.00 0.00 0.00 0.00 60.65 60.86 3hov s ILE 413 Cb -0.16 -3.62 0.10 0.00 0.01 0.00 0.00 42.46 38.78 3hov s ILE 413 CO 0.13 0.14 1.01 -0.62 0.00 0.00 0.00 174.94 175.60 3hov s ASP 414 N 1.74 6.36 0.00 3.58 -1.08 -1.26 -2.42 116.67 123.58 3hov s ASP 414 Ca 0.08 -1.46 0.00 0.00 -0.52 0.00 0.00 52.55 50.65 3hov s ASP 414 Cb -0.16 -2.40 0.00 0.00 -1.46 0.00 0.00 42.92 38.90 3hov s ASP 414 CO 0.11 -1.26 0.64 0.18 0.52 0.00 0.00 175.17 175.36 3hov n LEU 415 N 7.11 0.00 -0.60 -1.34 4.77 -0.87 -0.62 117.00 125.45 3hov n LEU 415 Ca 0.07 0.20 0.11 0.00 -0.03 0.00 0.00 56.01 56.36 3hov n LEU 415 Cb 0.47 -0.20 0.05 0.00 -2.33 0.00 0.00 43.42 41.40 3hov n LEU 415 CO 0.58 -0.20 0.41 -2.11 -1.33 0.00 0.00 177.39 174.74 3hov n ARG 416 N -1.14 1.48 0.00 3.23 1.85 -1.26 -4.67 116.66 116.14 3hov n ARG 416 Ca 0.00 -1.21 0.00 0.00 -1.00 0.00 0.00 57.85 55.64 3hov n ARG 416 Cb 0.17 -1.48 0.00 0.00 -1.05 0.00 0.00 32.46 30.11 3hov n ARG 416 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3hov n TYR 417 N 0.29 0.00 -1.09 2.89 4.02 0.21 -5.09 117.16 118.39 3hov n TYR 417 Ca 0.11 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.57 3hov n TYR 417 Cb 0.49 0.04 -0.06 0.00 -0.02 0.00 0.00 39.34 39.79 3hov n TYR 417 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3hov n SER 418 N -1.91 0.11 0.00 7.72 2.88 -0.62 -4.72 113.62 117.08 3hov n SER 418 Ca 0.00 0.82 0.05 0.00 -1.33 0.00 0.00 58.87 58.41 3hov n SER 418 Cb 0.16 -0.65 0.30 0.00 -0.75 0.00 0.00 64.21 63.27 3hov n SER 418 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 3hov n LYS 419 N 1.30 0.32 -0.10 -1.46 2.85 -1.26 -2.00 118.16 117.81 3hov n LYS 419 Ca 0.15 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.47 3hov n LYS 419 Cb 0.04 -1.50 0.08 0.00 -0.65 0.00 0.00 35.03 33.00 3hov n LYS 419 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3hov n ARG 420 N -1.00 1.48 -0.16 -1.58 1.74 -1.26 -4.80 116.66 111.07 3hov n ARG 420 Ca 0.08 -1.96 -0.03 0.00 -0.77 0.00 0.00 57.85 55.16 3hov n ARG 420 Cb 0.04 -1.17 0.03 0.00 -1.02 0.00 0.00 32.46 30.33 3hov n ARG 420 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hov h ALA 421 N 0.00 0.23 0.00 7.54 0.00 -1.72 0.18 119.26 125.49 3hov h ALA 421 Ca 0.00 0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3hov h ALA 421 Cb 0.92 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 3hov h ALA 421 CO 0.00 -0.50 -0.23 0.78 0.00 0.00 0.00 179.25 179.29 3hov h GLY 422 N -0.06 0.00 0.00 0.00 0.00 -1.87 -3.41 103.07 97.73 3hov h GLY 422 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 3hov h GLY 422 CO -0.55 0.00 0.00 1.34 0.00 0.00 0.00 176.54 177.33 3hov n ASP 423 N -3.66 0.00 -2.07 0.19 -0.08 0.63 -4.92 116.55 106.63 3hov n ASP 423 Ca -0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.27 3hov n ASP 423 Cb 0.36 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.82 3hov n ASP 423 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 3hov n ILE 424 N 0.00-11.97 -4.17 5.18 5.41 -1.12 -4.93 119.36 107.76 3hov n ILE 424 Ca 0.00 3.02 -0.31 0.00 1.00 0.00 0.00 62.75 66.45 3hov n ILE 424 Cb 0.00 -4.99 -0.16 0.00 -0.71 0.00 0.00 39.64 33.78 3hov n ILE 424 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hov s GLN 425 N -0.46 2.67 1.41 0.38 0.00 -1.26 -5.01 119.66 117.39 3hov s GLN 425 Ca 0.00 -0.71 -0.22 0.00 -0.00 0.00 0.00 55.36 54.43 3hov s GLN 425 Cb 0.00 -2.32 0.36 0.00 0.00 0.00 0.00 33.01 31.05 3hov s GLN 425 CO 0.00 -0.19 0.85 1.28 0.00 0.00 0.00 175.29 177.23 3hov n LEU 426 N 4.58 -0.60 -3.69 2.60 4.77 -1.26 -5.06 117.00 118.35 3hov n LEU 426 Ca -0.19 -0.75 -0.13 0.00 -0.03 0.00 0.00 56.01 54.91 3hov n LEU 426 Cb 0.50 -1.02 -0.13 0.00 -2.33 0.00 0.00 43.42 40.44 3hov n LEU 426 CO 0.24 -4.37 -0.12 -1.10 -1.33 0.00 0.00 177.39 170.71 3hov s GLN 427 N -4.86 0.18 0.05 3.23 -1.52 -1.26 -5.08 119.66 110.40 3hov s GLN 427 Ca 0.65 0.67 -0.37 0.00 -1.95 0.00 0.00 55.36 54.36 3hov s GLN 427 Cb -0.14 -0.06 -0.19 0.00 -0.22 0.00 0.00 33.01 32.40 3hov s GLN 427 CO 0.56 -0.23 1.07 0.66 -0.25 0.00 0.00 175.29 177.10 3hov n TYR 428 N 4.88 0.74 0.00 0.91 4.02 -1.26 -0.22 117.16 126.23 3hov n TYR 428 Ca -0.14 0.94 0.00 0.00 -0.01 0.00 0.00 57.90 58.69 3hov n TYR 428 Cb 0.51 -2.14 0.00 0.00 -0.02 0.00 0.00 39.34 37.69 3hov n TYR 428 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hov n GLY 429 N 1.79 3.10 3.24 2.72 0.00 0.05 -4.97 105.19 111.12 3hov n GLY 429 Ca 0.19 -0.93 -0.28 0.00 0.00 0.00 0.00 46.02 45.00 3hov n GLY 429 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3hov n TRP 430 N 0.00 -2.74 -4.62 1.61 7.02 0.70 -4.51 117.44 114.89 3hov n TRP 430 Ca 0.00 -0.43 -0.23 0.00 -1.02 0.00 0.00 57.50 55.83 3hov n TRP 430 Cb 0.00 -1.45 -0.15 0.00 -2.42 0.00 0.00 31.31 27.29 3hov n TRP 430 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 3hov s LYS 431 N -4.45 1.25 -0.23 -0.99 1.02 -0.00 -0.42 119.74 115.92 3hov s LYS 431 Ca 0.61 -0.47 -0.02 0.00 0.02 0.00 0.00 55.97 56.10 3hov s LYS 431 Cb -0.14 -1.16 0.01 0.00 -0.52 0.00 0.00 37.83 36.03 3hov s LYS 431 CO 0.55 0.24 -0.08 0.08 -0.92 0.00 0.00 175.35 175.22 3hov s VAL 432 N -0.10 2.90 -0.59 3.17 1.01 0.91 0.10 120.40 127.80 3hov s VAL 432 Ca 0.01 -0.84 -0.26 0.00 0.00 0.00 0.00 61.98 60.89 3hov s VAL 432 Cb -0.08 -2.39 0.04 0.00 0.00 0.00 0.00 36.38 33.95 3hov s VAL 432 CO 0.00 0.33 1.08 -1.61 0.00 0.00 0.00 175.10 174.90 3hov s GLU 433 N 1.37 3.38 0.35 2.72 2.02 0.11 -1.65 118.70 127.00 3hov s GLU 433 Ca 0.03 -0.08 0.07 0.00 0.02 0.00 0.00 54.97 55.01 3hov s GLU 433 Cb -0.15 -4.06 -0.01 0.00 0.10 0.00 0.00 34.13 30.01 3hov s GLU 433 CO -0.05 -1.66 0.46 -0.98 0.02 0.00 0.00 175.26 173.05 3hov s ARG 434 N 4.57 3.02 0.70 1.61 1.70 0.21 -2.00 118.95 128.76 3hov s ARG 434 Ca 0.36 -1.09 -0.14 0.00 -0.47 0.00 0.00 55.73 54.39 3hov s ARG 434 Cb -0.10 -2.76 0.02 0.00 -0.57 0.00 0.00 34.95 31.53 3hov s ARG 434 CO 0.21 0.01 1.12 -1.01 -1.08 0.00 0.00 175.30 174.55 3hov s HIS 435 N -2.22 2.48 0.36 5.89 3.76 -0.61 -0.60 115.29 124.35 3hov s HIS 435 Ca 0.46 1.57 -0.28 0.00 -0.15 0.00 0.00 55.06 56.66 3hov s HIS 435 Cb -0.09 -3.20 -0.11 0.00 1.11 0.00 0.00 32.58 30.29 3hov s HIS 435 CO 0.31 -1.89 1.42 0.42 -0.85 0.00 0.00 174.74 174.15 3hov s ILE 436 N -2.39 2.30 0.09 0.60 -1.09 -1.13 -4.70 121.20 114.89 3hov s ILE 436 Ca 0.67 0.30 0.02 0.00 -2.23 0.00 0.00 60.65 59.41 3hov s ILE 436 Cb -0.21 -3.19 -0.04 0.00 -1.58 0.00 0.00 42.46 37.44 3hov s ILE 436 CO 0.45 0.07 -0.08 -0.04 -1.23 0.00 0.00 174.94 174.12 3hov s MET 437 N -1.93 0.79 -0.41 2.79 -1.94 -1.26 -4.87 119.30 112.46 3hov s MET 437 Ca 0.52 -1.20 -0.38 0.00 -1.71 0.00 0.00 55.69 52.92 3hov s MET 437 Cb -0.44 -0.30 -0.16 0.00 2.01 0.00 0.00 34.83 35.94 3hov s MET 437 CO 0.59 0.02 1.37 -0.25 -0.01 0.00 0.00 175.02 176.74 3hov n ASP 438 N 0.35 0.94 0.00 3.03 9.92 -1.26 -0.71 116.55 128.82 3hov n ASP 438 Ca -0.15 0.92 0.00 0.00 -0.53 0.00 0.00 54.79 55.03 3hov n ASP 438 Cb 0.59 -0.73 0.00 0.00 -0.64 0.00 0.00 41.12 40.35 3hov n ASP 438 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3hov n ASN 439 N 3.66 -2.27 -4.72 -2.24 4.13 0.20 -4.86 115.26 109.15 3hov n ASN 439 Ca 0.28 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 56.12 3hov n ASN 439 Cb -0.05 -0.38 -0.03 0.00 -1.54 0.00 0.00 39.78 37.78 3hov n ASN 439 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3hov s ASP 440 N -2.50 7.31 0.20 6.41 1.01 0.11 -4.62 116.67 124.61 3hov s ASP 440 Ca 0.00 1.84 -0.30 0.00 0.71 0.00 0.00 52.55 54.80 3hov s ASP 440 Cb 0.00 -2.58 -0.08 0.00 1.01 0.00 0.00 42.92 41.27 3hov s ASP 440 CO 0.00 -0.26 1.04 -2.16 0.21 0.00 0.00 175.17 174.00 3hov s PRO 441 N 0.58 4.69 0.00 8.23 0.04 -1.26 -2.14 135.00 145.14 3hov s PRO 441 Ca 0.52 1.64 -0.08 0.00 0.04 0.00 0.00 61.00 63.12 3hov s PRO 441 Cb -0.25 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.02 3hov s PRO 441 CO 0.30 0.24 0.15 0.14 0.04 0.00 0.00 177.00 177.87 3hov s VAL 442 N -0.64 0.08 -0.06 -0.36 -7.23 -0.62 -4.52 120.40 107.05 3hov s VAL 442 Ca 0.46 -0.68 -0.30 0.00 -1.81 0.00 0.00 61.98 59.65 3hov s VAL 442 Cb -0.28 -0.47 -0.02 0.00 0.56 0.00 0.00 36.38 36.17 3hov s VAL 442 CO 0.35 -0.37 1.03 -0.22 -0.31 0.00 0.00 175.10 175.58 3hov s LEU 443 N -1.41 4.29 -0.11 1.32 0.20 -0.42 -1.47 118.68 121.08 3hov s LEU 443 Ca -0.14 1.62 0.03 0.00 0.69 0.00 0.00 54.13 56.32 3hov s LEU 443 Cb -0.07 -3.56 0.01 0.00 -0.43 0.00 0.00 46.19 42.14 3hov s LEU 443 CO 0.02 -0.41 -0.19 0.12 -0.29 0.00 0.00 176.35 175.60 3hov s PHE 444 N 1.72 2.22 0.05 5.38 5.36 -0.49 -0.97 117.98 131.24 3hov s PHE 444 Ca 0.51 -1.00 -0.00 0.00 -0.96 0.00 0.00 56.93 55.47 3hov s PHE 444 Cb -0.20 -1.54 -0.03 0.00 -0.34 0.00 0.00 43.02 40.90 3hov s PHE 444 CO 0.22 -0.47 -0.04 0.54 -1.46 0.00 0.00 175.22 174.01 3hov s ASN 445 N 0.74 0.57 -0.12 6.13 4.22 -0.19 -2.80 114.94 123.49 3hov s ASN 445 Ca -0.11 -0.84 -0.00 0.00 -2.14 0.00 0.00 52.86 49.77 3hov s ASN 445 Cb -0.16 0.14 0.02 0.00 1.28 0.00 0.00 41.25 42.54 3hov s ASN 445 CO 0.02 -0.47 -0.10 -0.60 -2.04 0.00 0.00 177.10 173.91 3hov s ARG 446 N -3.12 1.77 0.40 3.55 3.52 -0.92 -1.42 118.95 122.73 3hov s ARG 446 Ca 0.01 -0.35 -0.18 0.00 -0.13 0.00 0.00 55.73 55.08 3hov s ARG 446 Cb 0.02 -1.73 -0.10 0.00 -1.56 0.00 0.00 34.95 31.58 3hov s ARG 446 CO -0.06 -0.24 0.87 -0.65 -0.81 0.00 0.00 175.30 174.40 3hov s GLN 447 N 1.59 4.09 0.18 5.12 -0.21 -1.26 -3.67 119.66 125.50 3hov s GLN 447 Ca 0.04 0.91 -0.30 0.00 0.02 0.00 0.00 55.36 56.02 3hov s GLN 447 Cb -0.13 -2.28 -0.08 0.00 1.00 0.00 0.00 33.01 31.53 3hov s GLN 447 CO -0.08 0.01 1.14 -1.25 -2.12 0.00 0.00 175.29 172.99 3hov s PRO 448 N -3.24 4.55 -0.87 2.91 0.04 -1.26 -5.07 135.00 132.06 3hov s PRO 448 Ca 0.58 1.78 -0.24 0.00 0.04 0.00 0.00 61.00 63.16 3hov s PRO 448 Cb -0.10 -3.27 0.05 0.00 0.04 0.00 0.00 34.50 31.23 3hov s PRO 448 CO 0.17 0.00 1.32 -1.12 0.04 0.00 0.00 177.00 177.42 3hov s SER 449 N 0.02 6.35 0.00 6.66 0.01 -1.24 -4.85 113.70 120.65 3hov s SER 449 Ca 0.51 -1.07 0.02 0.00 1.31 0.00 0.00 55.95 56.72 3hov s SER 449 Cb -0.30 -2.54 -0.26 0.00 0.21 0.00 0.00 66.02 63.13 3hov s SER 449 CO 0.35 -1.60 0.85 -0.07 0.41 0.00 0.00 173.24 173.18 3hov h LEU 450 N 12.59 0.25 -8.65 2.44 3.38 -1.95 -3.49 115.31 119.88 3hov h LEU 450 Ca -0.03 -0.37 -0.29 0.00 0.09 0.00 0.00 57.88 57.27 3hov h LEU 450 Cb 1.03 -0.08 -0.13 0.00 0.09 0.00 0.00 40.66 41.57 3hov h LEU 450 CO 1.33 1.31 -0.51 -1.38 0.09 0.00 0.00 178.44 179.28 3hov s HIS 451 N -2.62 1.26 0.12 1.13 -3.43 -1.26 -4.70 115.29 105.78 3hov s HIS 451 Ca -0.07 -1.40 -0.22 0.00 -0.80 0.00 0.00 55.06 52.56 3hov s HIS 451 Cb 0.08 -0.50 -0.05 0.00 -1.43 0.00 0.00 32.58 30.67 3hov s HIS 451 CO 0.84 -0.78 1.21 1.63 -2.00 0.00 0.00 174.74 175.64 3hov n LYS 452 N -0.41 -0.32 0.00 -0.38 5.02 -1.26 -0.50 118.16 120.31 3hov n LYS 452 Ca 0.03 1.19 0.00 0.00 -2.02 0.00 0.00 58.31 57.51 3hov n LYS 452 Cb 0.64 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 3hov n LYS 452 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3hov n MET 453 N -4.77 0.00 0.00 1.97 2.81 -1.26 -1.03 117.12 114.84 3hov n MET 453 Ca 0.01 0.05 0.13 0.00 -1.81 0.00 0.00 57.70 56.09 3hov n MET 453 Cb 0.19 -1.52 0.44 0.00 -0.71 0.00 0.00 33.22 31.61 3hov n MET 453 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 3hov n SER 454 N -0.91 0.73 -3.44 7.83 7.64 0.34 -4.12 113.62 121.69 3hov n SER 454 Ca 0.00 -0.63 -0.28 0.00 1.01 0.00 0.00 58.87 58.96 3hov n SER 454 Cb 0.02 0.06 -0.11 0.00 -1.01 0.00 0.00 64.21 63.17 3hov n SER 454 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3hov s MET 455 N -2.59 0.65 0.39 1.43 -1.94 -0.20 -2.16 119.30 114.88 3hov s MET 455 Ca 0.23 -1.55 0.08 0.00 -1.71 0.00 0.00 55.69 52.73 3hov s MET 455 Cb 0.19 -1.33 -0.04 0.00 2.01 0.00 0.00 34.83 35.67 3hov s MET 455 CO 0.53 -1.26 0.26 -1.64 -0.01 0.00 0.00 175.02 172.90 3hov s MET 456 N 0.78 2.41 -0.23 2.03 1.00 -1.12 -4.89 119.30 119.28 3hov s MET 456 Ca 0.22 -1.62 -0.09 0.00 0.00 0.00 0.00 55.69 54.20 3hov s MET 456 Cb -0.15 -2.21 -0.05 0.00 0.00 0.00 0.00 34.83 32.42 3hov s MET 456 CO -0.05 -0.08 0.12 0.00 0.00 0.00 0.00 175.02 175.01 3hov s ALA 457 N -2.49 3.51 0.35 3.03 0.00 0.17 -1.40 121.76 124.93 3hov s ALA 457 Ca 0.43 -0.87 0.09 0.00 0.00 0.00 0.00 51.96 51.60 3hov s ALA 457 Cb -0.01 -2.19 -0.06 0.00 0.00 0.00 0.00 23.12 20.86 3hov s ALA 457 CO 0.25 -0.12 0.01 -1.01 0.00 0.00 0.00 175.76 174.88 3hov s HIS 458 N 0.93 2.53 0.03 0.00 3.76 -0.54 -2.18 115.29 119.82 3hov s HIS 458 Ca 0.06 -0.47 -0.18 0.00 -0.15 0.00 0.00 55.06 54.32 3hov s HIS 458 Cb -0.13 -1.52 -0.06 0.00 1.11 0.00 0.00 32.58 31.98 3hov s HIS 458 CO 0.03 0.47 0.53 1.03 -0.85 0.00 0.00 174.74 175.95 3hov s ARG 459 N -3.71 4.16 0.44 1.40 0.52 0.17 -1.59 118.95 120.33 3hov s ARG 459 Ca 0.35 0.64 -0.22 0.00 -0.52 0.00 0.00 55.73 55.98 3hov s ARG 459 Cb 0.01 -3.26 -0.09 0.00 0.52 0.00 0.00 34.95 32.13 3hov s ARG 459 CO 0.19 0.58 1.01 0.08 0.02 0.00 0.00 175.30 177.18 3hov s VAL 460 N -0.85 3.94 -0.33 3.52 1.01 -0.91 -0.40 120.40 126.37 3hov s VAL 460 Ca 0.28 1.31 0.01 0.00 0.00 0.00 0.00 61.98 63.58 3hov s VAL 460 Cb -0.18 -3.59 0.14 0.00 0.00 0.00 0.00 36.38 32.74 3hov s VAL 460 CO 0.17 -0.16 0.29 -0.75 0.00 0.00 0.00 175.10 174.65 3hov s LYS 461 N -2.91 0.47 0.14 2.72 2.36 -1.00 0.59 119.74 122.10 3hov s LYS 461 Ca 0.62 -0.70 -0.31 0.00 -2.55 0.00 0.00 55.97 53.03 3hov s LYS 461 Cb -0.17 -0.87 -0.09 0.00 -1.05 0.00 0.00 37.83 35.65 3hov s LYS 461 CO 0.21 -1.13 1.45 0.08 1.55 0.00 0.00 175.35 177.51 3hov s VAL 462 N 1.72 3.04 0.25 4.02 1.01 -1.26 -1.38 120.40 127.79 3hov s VAL 462 Ca 0.14 0.76 0.02 0.00 0.00 0.00 0.00 61.98 62.89 3hov s VAL 462 Cb -0.17 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 3hov s VAL 462 CO -0.15 0.07 0.20 0.27 0.00 0.00 0.00 175.10 175.48 3hov s ILE 463 N 1.00 0.00 0.89 2.22 -4.36 0.09 -4.86 121.20 116.18 3hov s ILE 463 Ca 0.66 -1.98 -0.11 0.00 -0.26 0.00 0.00 60.65 58.96 3hov s ILE 463 Cb -0.39 -2.50 0.18 0.00 1.25 0.00 0.00 42.46 41.00 3hov s ILE 463 CO 0.32 0.00 1.23 -2.16 0.24 0.00 0.00 174.94 174.56 3hov s PRO 464 N -3.87 0.90 0.33 0.37 0.04 -1.26 0.02 135.00 131.53 3hov s PRO 464 Ca 0.39 -0.68 0.00 0.00 0.04 0.00 0.00 61.00 60.76 3hov s PRO 464 Cb 0.05 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.59 3hov s PRO 464 CO 0.18 -2.15 0.00 0.66 0.04 0.00 0.00 177.00 175.73 3hov n TYR 465 N -3.49 -2.21 -0.59 0.56 4.02 -1.26 -4.68 117.16 109.51 3hov n TYR 465 Ca 0.16 1.19 -0.04 0.00 -0.01 0.00 0.00 57.90 59.20 3hov n TYR 465 Cb 0.60 -2.01 0.25 0.00 -0.02 0.00 0.00 39.34 38.16 3hov n TYR 465 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 3hov n SER 466 N -3.44 4.27 -4.22 7.72 7.64 -1.26 -4.39 113.62 119.94 3hov n SER 466 Ca -0.04 -2.94 -0.26 0.00 1.01 0.00 0.00 58.87 56.63 3hov n SER 466 Cb 0.39 -0.70 -0.15 0.00 -1.01 0.00 0.00 64.21 62.75 3hov n SER 466 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3hov s THR 467 N -2.46 1.61 0.00 0.44 -4.23 -1.26 -4.54 115.64 105.20 3hov s THR 467 Ca 0.44 -0.95 -0.30 0.00 -1.18 0.00 0.00 61.69 59.70 3hov s THR 467 Cb 0.35 -1.36 -0.07 0.00 1.34 0.00 0.00 72.50 72.77 3hov s THR 467 CO 0.11 0.39 1.59 -0.36 -0.54 0.00 0.00 174.62 175.81 3hov s PHE 468 N -0.56 2.37 -0.20 3.99 2.99 -0.91 -4.49 117.98 121.17 3hov s PHE 468 Ca 0.08 0.40 -0.07 0.00 0.00 0.00 0.00 56.93 57.34 3hov s PHE 468 Cb -0.08 -3.87 -0.03 0.00 0.00 0.00 0.00 43.02 39.04 3hov s PHE 468 CO -0.00 -3.49 0.05 1.03 -0.00 0.00 0.00 175.22 172.80 3hov s ARG 469 N 3.10 3.79 0.28 0.44 0.52 -0.64 -1.61 118.95 124.83 3hov s ARG 469 Ca 0.71 -0.43 0.07 0.00 -0.52 0.00 0.00 55.73 55.56 3hov s ARG 469 Cb -0.35 -3.20 -0.06 0.00 0.52 0.00 0.00 34.95 31.86 3hov s ARG 469 CO 0.30 0.09 -0.07 -0.48 0.02 0.00 0.00 175.30 175.16 3hov s LEU 470 N 0.86 2.51 0.33 2.53 2.34 -1.15 0.11 118.68 126.20 3hov s LEU 470 Ca 0.03 -1.19 -0.28 0.00 0.06 0.00 0.00 54.13 52.75 3hov s LEU 470 Cb -0.14 -0.68 -0.09 0.00 -0.56 0.00 0.00 46.19 44.72 3hov s LEU 470 CO 0.02 -0.32 1.12 0.21 -1.06 0.00 0.00 176.35 176.32 3hov s ASN 471 N -3.46 7.01 0.42 1.48 3.84 -1.26 -2.00 114.94 120.98 3hov s ASN 471 Ca 0.30 2.27 0.09 0.00 0.21 0.00 0.00 52.86 55.73 3hov s ASN 471 Cb 0.03 -2.62 0.91 0.00 -0.55 0.00 0.00 41.25 39.03 3hov s ASN 471 CO 0.12 -0.32 2.04 -0.07 -2.79 0.00 0.00 177.10 176.08 3hov h LEU 472 N 3.34 0.35 -1.42 3.21 3.38 -1.92 -2.63 115.31 119.62 3hov h LEU 472 Ca -0.47 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.43 3hov h LEU 472 Cb 1.22 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 3hov h LEU 472 CO 0.65 0.30 -0.22 0.28 0.09 0.00 0.00 178.44 179.54 3hov h SER 473 N 0.40 0.00 -0.28 -0.43 0.02 -1.92 -1.14 113.55 110.19 3hov h SER 473 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3hov h SER 473 Cb 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 3hov h SER 473 CO -0.02 0.22 0.00 0.55 -1.14 0.00 0.00 176.83 176.44 3hov n VAL 474 N -3.56 0.71 -0.03 2.27 3.14 -0.99 -3.94 118.33 115.92 3hov n VAL 474 Ca -0.01 -0.48 -0.14 0.00 -2.96 0.00 0.00 64.34 60.75 3hov n VAL 474 Cb 0.36 -0.04 -0.10 0.00 -1.06 0.00 0.00 33.84 33.00 3hov n VAL 474 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3hov h THR 475 N 1.76 1.48 -0.08 1.55 1.03 -1.26 -3.35 112.91 114.03 3hov h THR 475 Ca 0.00 -1.62 0.04 0.00 -0.01 0.00 0.00 66.41 64.82 3hov h THR 475 Cb 0.70 2.45 -0.05 0.00 -1.07 0.00 0.00 68.15 70.19 3hov h THR 475 CO 0.08 0.44 -0.19 0.28 -0.01 0.00 0.00 175.52 176.13 3hov h SER 476 N -0.42 -0.56 -0.92 0.00 0.02 -1.76 -2.05 113.55 107.86 3hov h SER 476 Ca -0.01 0.09 0.26 0.00 -0.84 0.00 0.00 61.79 61.29 3hov h SER 476 Cb 0.80 0.25 -0.15 0.00 0.14 0.00 0.00 62.40 63.44 3hov h SER 476 CO 0.03 -0.24 0.31 -0.65 -1.14 0.00 0.00 176.83 175.14 3hov h PRO 477 N -0.26 0.22 0.01 3.45 0.11 -1.74 -0.47 132.00 133.32 3hov h PRO 477 Ca 0.08 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 65.98 3hov h PRO 477 Cb 0.38 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.41 3hov h PRO 477 CO -0.23 0.15 -0.93 1.88 -0.21 0.00 0.00 178.00 178.65 3hov h TYR 478 N 0.23 0.05 0.00 0.65 -1.99 -1.63 -3.39 116.97 110.89 3hov h TYR 478 Ca 0.60 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 61.30 3hov h TYR 478 Cb 1.27 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.00 3hov h TYR 478 CO -0.21 0.94 0.00 -1.71 -0.00 0.00 0.00 178.16 177.18 3hov n ASN 479 N -3.47 -1.01 -4.86 3.88 4.05 -0.18 -4.83 115.26 108.83 3hov n ASN 479 Ca -0.01 0.00 -0.36 0.00 0.45 0.00 0.00 54.58 54.66 3hov n ASN 479 Cb 0.87 -0.36 -0.06 0.00 1.23 0.00 0.00 39.78 41.47 3hov n ASN 479 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3hov s ALA 480 N -2.00 3.74 0.21 5.20 0.00 -1.08 -5.04 121.76 122.80 3hov s ALA 480 Ca 0.00 -0.37 0.02 0.00 0.00 0.00 0.00 51.96 51.61 3hov s ALA 480 Cb 0.00 -2.26 -0.05 0.00 0.00 0.00 0.00 23.12 20.81 3hov s ALA 480 CO 0.00 0.55 0.04 0.16 0.00 0.00 0.00 175.76 176.50 3hov s ASP 481 N -1.44 1.31 -0.31 0.00 1.47 -1.26 -4.70 116.67 111.74 3hov s ASP 481 Ca 0.27 -1.26 0.10 0.00 1.18 0.00 0.00 52.55 52.85 3hov s ASP 481 Cb -0.15 0.11 0.71 0.00 -0.34 0.00 0.00 42.92 43.26 3hov s ASP 481 CO 0.15 -0.62 1.76 0.49 0.68 0.00 0.00 175.17 177.63 3hov n PHE 482 N -0.35 2.24 0.90 2.11 0.99 -1.26 -3.89 117.46 118.20 3hov n PHE 482 Ca -0.04 -1.21 0.00 0.00 -0.00 0.00 0.00 57.45 56.20 3hov n PHE 482 Cb 0.64 -0.65 0.00 0.00 -1.00 0.00 0.00 39.48 38.48 3hov n PHE 482 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 3hov n ASP 483 N -0.27 0.13 0.00 4.37 3.85 -1.26 -4.55 116.55 118.81 3hov n ASP 483 Ca 0.39 -1.03 0.00 0.00 -0.71 0.00 0.00 54.79 53.44 3hov n ASP 483 Cb 1.33 -0.06 0.00 0.00 -1.35 0.00 0.00 41.12 41.03 3hov n ASP 483 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hov n GLY 484 N 0.07 1.33 3.75 6.12 0.00 -1.26 -5.12 105.19 110.08 3hov n GLY 484 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3hov n GLY 484 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hov s ASP 485 N -1.84 5.26 0.31 1.61 1.01 -1.25 -4.82 116.67 116.95 3hov s ASP 485 Ca 0.00 2.40 0.09 0.00 0.71 0.00 0.00 52.55 55.75 3hov s ASP 485 Cb 0.00 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 3hov s ASP 485 CO 0.00 -1.55 0.07 -1.61 0.21 0.00 0.00 175.17 172.29 3hov s GLU 486 N -3.27 2.32 0.03 8.23 2.02 -1.26 -1.75 118.70 125.02 3hov s GLU 486 Ca 0.76 -1.50 -0.00 0.00 0.02 0.00 0.00 54.97 54.25 3hov s GLU 486 Cb -0.31 -2.15 -0.02 0.00 0.10 0.00 0.00 34.13 31.75 3hov s GLU 486 CO 0.34 0.23 -0.03 -1.64 0.02 0.00 0.00 175.26 174.17 3hov s MET 487 N -3.76 0.37 0.08 1.61 -1.94 -1.19 -4.78 119.30 109.69 3hov s MET 487 Ca 0.35 -0.74 0.02 0.00 -1.71 0.00 0.00 55.69 53.61 3hov s MET 487 Cb -0.04 0.13 -0.04 0.00 2.01 0.00 0.00 34.83 36.89 3hov s MET 487 CO 0.21 -0.06 0.15 -0.80 -0.01 0.00 0.00 175.02 174.51 3hov s ASN 488 N -1.76 5.95 -0.05 3.03 -0.87 -0.51 -3.37 114.94 117.35 3hov s ASN 488 Ca -0.11 0.12 0.03 0.00 -1.57 0.00 0.00 52.86 51.33 3hov s ASN 488 Cb -0.06 -1.72 0.01 0.00 -0.02 0.00 0.00 41.25 39.46 3hov s ASN 488 CO -0.03 0.16 -0.13 -0.22 -2.57 0.00 0.00 177.10 174.31 3hov s LEU 489 N -2.53 1.75 -0.11 0.60 2.96 0.95 -1.02 118.68 121.27 3hov s LEU 489 Ca 0.32 -0.29 0.03 0.00 -0.22 0.00 0.00 54.13 53.96 3hov s LEU 489 Cb -0.12 -0.82 0.01 0.00 0.50 0.00 0.00 46.19 45.76 3hov s LEU 489 CO 0.25 0.07 -0.19 -1.00 -1.32 0.00 0.00 176.35 174.16 3hov s HIS 490 N 0.41 2.27 -0.29 5.38 3.76 -0.15 -0.43 115.29 126.24 3hov s HIS 490 Ca -0.10 -1.04 -0.10 0.00 -0.15 0.00 0.00 55.06 53.66 3hov s HIS 490 Cb -0.13 -1.58 -0.03 0.00 1.11 0.00 0.00 32.58 31.95 3hov s HIS 490 CO 0.03 -0.48 0.17 0.08 -0.85 0.00 0.00 174.74 173.68 3hov s VAL 491 N 0.75 5.01 1.02 -0.90 1.01 -1.15 -1.30 120.40 124.83 3hov s VAL 491 Ca -0.11 -0.06 -0.13 0.00 0.00 0.00 0.00 61.98 61.69 3hov s VAL 491 Cb -0.16 -3.44 0.14 0.00 0.00 0.00 0.00 36.38 32.92 3hov s VAL 491 CO 0.01 0.19 0.72 -0.81 0.00 0.00 0.00 175.10 175.21 3hov n PRO 492 N 5.03 -1.02 0.00 2.72 -0.04 -1.26 -4.94 135.00 135.49 3hov n PRO 492 Ca -0.14 -0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.07 3hov n PRO 492 Cb 0.51 -2.07 0.00 0.00 -0.04 0.00 0.00 33.50 31.90 3hov n PRO 492 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3hov n GLN 493 N -3.30 1.71 -4.12 0.54 -0.06 -1.26 -4.94 117.38 105.95 3hov n GLN 493 Ca 0.07 0.00 -0.23 0.00 -2.00 0.00 0.00 57.00 54.83 3hov n GLN 493 Cb 0.54 -0.86 -0.05 0.00 -4.06 0.00 0.00 30.24 25.81 3hov n GLN 493 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 3hov s SER 494 N -1.53 5.44 0.51 1.69 0.15 -1.26 -4.53 113.70 114.17 3hov s SER 494 Ca 0.00 -0.24 0.17 0.00 0.70 0.00 0.00 55.95 56.57 3hov s SER 494 Cb 0.00 -1.37 1.26 0.00 -1.71 0.00 0.00 66.02 64.20 3hov s SER 494 CO 0.00 -0.00 2.13 -0.08 1.20 0.00 0.00 173.24 176.49 3hov h GLU 495 N 1.83 0.00 0.00 5.44 4.57 -1.97 -1.97 114.58 122.47 3hov h GLU 495 Ca -0.48 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 57.70 3hov h GLU 495 Cb 1.23 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.82 3hov h GLU 495 CO 0.61 0.04 -1.20 -0.85 -1.18 0.00 0.00 179.01 176.43 3hov n GLU 496 N -4.44 0.62 -0.07 1.92 0.28 -1.26 -3.08 120.64 114.61 3hov n GLU 496 Ca -0.03 0.07 -0.14 0.00 -0.16 0.00 0.00 57.16 56.90 3hov n GLU 496 Cb 0.12 -1.77 -0.06 0.00 1.43 0.00 0.00 31.44 31.16 3hov n GLU 496 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 3hov h THR 497 N 0.00 1.33 -0.20 3.84 2.02 -1.76 -1.67 112.91 116.47 3hov h THR 497 Ca -0.00 -1.47 -0.09 0.00 0.77 0.00 0.00 66.41 65.62 3hov h THR 497 Cb 1.01 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 69.21 3hov h THR 497 CO 0.00 0.45 -0.28 0.08 0.37 0.00 0.00 175.52 176.14 3hov h ARG 498 N 0.21 0.38 -0.20 6.66 0.11 -1.54 -2.40 114.38 117.60 3hov h ARG 498 Ca 0.02 -0.15 0.04 0.00 0.10 0.00 0.00 59.98 59.99 3hov h ARG 498 Cb 0.84 -0.02 -0.03 0.00 1.11 0.00 0.00 29.97 31.86 3hov h ARG 498 CO 0.06 0.64 -0.02 0.00 0.10 0.00 0.00 179.97 180.75 3hov h ALA 499 N 1.37 0.16 -0.70 0.08 0.00 -1.44 0.17 119.26 118.90 3hov h ALA 499 Ca 0.05 0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.13 3hov h ALA 499 Cb 0.68 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 3hov h ALA 499 CO 0.05 -0.45 0.47 0.93 0.00 0.00 0.00 179.25 180.25 3hov h GLU 500 N 0.04 0.51 0.08 0.00 5.08 -0.82 0.44 114.58 119.91 3hov h GLU 500 Ca 0.10 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3hov h GLU 500 Cb 0.13 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3hov h GLU 500 CO -0.18 0.34 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.06 3hov h LEU 501 N 0.52 -0.09 -0.94 1.33 3.38 -0.82 -1.57 115.31 117.11 3hov h LEU 501 Ca 0.33 -0.51 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 3hov h LEU 501 Cb 0.58 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 3hov h LEU 501 CO -0.11 0.55 0.17 0.77 0.09 0.00 0.00 178.44 179.91 3hov h SER 502 N -0.84 0.88 0.65 -0.43 4.64 -0.40 -1.10 113.55 116.95 3hov h SER 502 Ca -0.01 -0.16 -0.27 0.00 -0.47 0.00 0.00 61.79 60.88 3hov h SER 502 Cb 0.60 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 62.42 3hov h SER 502 CO 0.02 0.84 -1.45 1.56 -0.87 0.00 0.00 176.83 176.93 3hov h GLN 503 N 0.91 0.04 0.00 4.77 1.08 -1.04 -3.39 115.11 117.48 3hov h GLN 503 Ca 0.20 -0.07 -0.39 0.00 -1.45 0.00 0.00 58.65 56.94 3hov h GLN 503 Cb 0.29 0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 27.69 3hov h GLN 503 CO -0.00 0.77 -2.33 1.28 -0.95 0.00 0.00 178.83 177.59 3hov n LEU 504 N -3.22 2.00 -2.01 1.46 4.32 -0.59 -4.82 117.00 114.14 3hov n LEU 504 Ca -0.11 0.19 -0.24 0.00 -0.02 0.00 0.00 56.01 55.83 3hov n LEU 504 Cb 1.01 -0.73 0.03 0.00 -1.62 0.00 0.00 43.42 42.12 3hov n LEU 504 CO 0.46 0.59 0.34 0.00 -1.22 0.00 0.00 177.39 177.57 3hov s ALA 506 N -3.61 3.29 0.21 0.00 0.00 -1.07 0.44 121.76 121.02 3hov s ALA 506 Ca 0.52 0.60 -0.02 0.00 0.00 0.00 0.00 51.96 53.07 3hov s ALA 506 Cb 0.42 -3.25 0.45 0.00 0.00 0.00 0.00 23.12 20.74 3hov s ALA 506 CO 0.03 0.09 1.11 0.28 0.00 0.00 0.00 175.76 177.27 3hov n VAL 507 N 2.14 -0.30 -0.17 0.00 0.31 -0.92 0.45 118.33 119.83 3hov n VAL 507 Ca 0.00 1.59 -0.03 0.00 -0.01 0.00 0.00 64.34 65.89 3hov n VAL 507 Cb 0.48 -2.27 0.07 0.00 -0.91 0.00 0.00 33.84 31.21 3hov n VAL 507 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3hov h PRO 508 N 0.00 0.38 -0.56 5.55 0.11 -1.87 -1.82 132.00 133.80 3hov h PRO 508 Ca 0.39 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.41 3hov h PRO 508 Cb 0.73 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.73 3hov h PRO 508 CO -0.69 0.25 0.08 -0.07 -0.21 0.00 0.00 178.00 177.36 3hov h LEU 509 N 0.40 0.85 0.00 2.35 3.38 -0.32 -2.69 115.31 119.27 3hov h LEU 509 Ca 0.25 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3hov h LEU 509 Cb 0.25 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3hov h LEU 509 CO -0.24 0.87 0.00 0.00 0.09 0.00 0.00 178.44 179.16 3hov n GLN 510 N -4.23 0.39 -0.03 1.13 1.13 -0.70 -4.31 117.38 110.76 3hov n GLN 510 Ca 0.04 0.07 -0.11 0.00 -1.94 0.00 0.00 57.00 55.05 3hov n GLN 510 Cb 0.27 -1.50 -0.05 0.00 0.11 0.00 0.00 30.24 29.07 3hov n GLN 510 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 3hov h ILE 511 N 0.00 0.18 -3.54 5.09 2.04 -1.25 -3.36 117.51 116.68 3hov h ILE 511 Ca 0.00 0.00 -0.70 0.00 1.00 0.00 0.00 64.86 65.16 3hov h ILE 511 Cb 0.09 0.18 -0.19 0.00 -0.74 0.00 0.00 36.82 36.16 3hov h ILE 511 CO 0.00 0.00 -0.25 0.54 0.00 0.00 0.00 178.15 178.44 3hov s VAL 512 N -5.92 5.12 0.04 1.67 0.11 -1.26 0.15 120.40 120.31 3hov s VAL 512 Ca -0.15 -0.39 -0.22 0.00 -2.93 0.00 0.00 61.98 58.29 3hov s VAL 512 Cb 0.10 -4.01 -0.06 0.00 -1.53 0.00 0.00 36.38 30.88 3hov s VAL 512 CO 0.65 -0.39 0.64 -0.55 -3.33 0.00 0.00 175.10 172.12 3hov s SER 513 N 1.78 7.09 0.32 3.54 0.15 -0.43 -4.84 113.70 121.32 3hov s SER 513 Ca 0.11 1.30 0.26 0.00 0.70 0.00 0.00 55.95 58.32 3hov s SER 513 Cb -0.17 -2.40 1.02 0.00 -1.71 0.00 0.00 66.02 62.75 3hov s SER 513 CO 0.13 0.14 1.78 1.55 1.20 0.00 0.00 173.24 178.04 3hov h PRO 514 N 5.21 0.00 -0.11 5.44 0.13 -1.83 -2.75 132.00 138.08 3hov h PRO 514 Ca -0.46 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.71 3hov h PRO 514 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 3hov h PRO 514 CO 0.68 0.00 -0.20 0.37 -0.23 0.00 0.00 178.00 178.62 3hov h GLN 515 N 0.00 -0.25 -1.38 0.86 4.15 -1.91 -3.29 115.11 113.28 3hov h GLN 515 Ca 0.00 0.02 -0.45 0.00 0.77 0.00 0.00 58.65 58.99 3hov h GLN 515 Cb 0.48 0.06 -0.41 0.00 0.21 0.00 0.00 27.48 27.82 3hov h GLN 515 CO 0.00 -0.17 -1.06 -1.13 -1.93 0.00 0.00 178.83 174.54 3hov n SER 516 N -5.34 2.21 -3.04 -0.69 3.41 -1.21 -2.45 113.62 106.51 3hov n SER 516 Ca -0.03 -3.04 -0.04 0.00 -0.26 0.00 0.00 58.87 55.50 3hov n SER 516 Cb 0.25 -0.53 -0.01 0.00 -0.26 0.00 0.00 64.21 63.66 3hov n SER 516 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3hov n ASN 517 N -0.10 -0.07 -3.64 4.04 0.23 -1.05 -4.84 115.26 109.83 3hov n ASN 517 Ca 0.20 -0.16 -0.09 0.00 -0.53 0.00 0.00 54.58 54.00 3hov n ASN 517 Cb 0.73 -0.20 -0.02 0.00 -2.08 0.00 0.00 39.78 38.21 3hov n ASN 517 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 3hov s LYS 518 N -4.07 1.48 0.55 -3.83 -2.85 -1.13 -4.71 119.74 105.19 3hov s LYS 518 Ca 0.02 -0.71 -0.21 0.00 -1.00 0.00 0.00 55.97 54.07 3hov s LYS 518 Cb -0.01 0.58 -0.05 0.00 -2.06 0.00 0.00 37.83 36.29 3hov s LYS 518 CO 0.12 -0.67 1.26 -1.25 0.10 0.00 0.00 175.35 174.92 3hov s PRO 519 N -3.77 3.17 -0.17 1.78 0.04 -1.26 -1.32 135.00 133.47 3hov s PRO 519 Ca 0.06 1.99 0.17 0.00 0.04 0.00 0.00 61.00 63.26 3hov s PRO 519 Cb -0.03 -2.15 0.47 0.00 0.04 0.00 0.00 34.50 32.83 3hov s PRO 519 CO -0.03 -1.09 1.36 0.00 0.04 0.00 0.00 177.00 177.28 3hov s MET 521 N -2.87 0.27 0.00 0.00 -1.94 -1.26 -4.23 119.30 109.26 3hov s MET 521 Ca 0.40 0.54 0.00 0.00 -1.71 0.00 0.00 55.69 54.92 3hov s MET 521 Cb 0.33 -0.04 0.00 0.00 2.01 0.00 0.00 34.83 37.13 3hov s MET 521 CO 0.07 -0.13 0.00 0.41 -0.01 0.00 0.00 175.02 175.35 3hov n GLY 522 N 3.94 5.58 3.74 -0.03 0.00 -1.26 -4.41 105.19 112.75 3hov n GLY 522 Ca -0.22 -1.43 -0.35 0.00 0.00 0.00 0.00 46.02 44.01 3hov n GLY 522 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hov s ILE 523 N 0.32 5.19 0.25 -0.61 -1.09 -0.89 -4.65 121.20 119.73 3hov s ILE 523 Ca 0.00 0.10 0.04 0.00 -2.23 0.00 0.00 60.65 58.56 3hov s ILE 523 Cb 0.00 -3.32 -0.01 0.00 -1.58 0.00 0.00 42.46 37.54 3hov s ILE 523 CO 0.00 0.50 0.14 0.52 -1.23 0.00 0.00 174.94 174.87 3hov n VAL 524 N 3.05 0.00 0.00 2.92 0.31 -1.26 -4.64 118.33 118.71 3hov n VAL 524 Ca -0.17 -1.64 0.00 0.00 -0.01 0.00 0.00 64.34 62.52 3hov n VAL 524 Cb 0.53 0.69 0.00 0.00 -0.91 0.00 0.00 33.84 34.15 3hov n VAL 524 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hov n GLN 525 N -0.54 0.00 -0.00 5.55 1.13 -1.26 -1.76 117.38 120.50 3hov n GLN 525 Ca 0.00 0.00 -0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3hov n GLN 525 Cb 0.41 0.00 -0.00 0.00 0.11 0.00 0.00 30.24 30.76 3hov n GLN 525 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 3hov h ASP 526 N 0.00 -0.01 -0.92 1.08 5.19 -1.98 0.15 116.42 119.93 3hov h ASP 526 Ca 0.00 0.00 0.27 0.00 -0.62 0.00 0.00 57.03 56.68 3hov h ASP 526 Cb 0.00 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 39.37 3hov h ASP 526 CO 0.00 -0.00 0.32 0.74 -3.12 0.00 0.00 179.24 177.18 3hov h THR 527 N -0.00 0.28 0.42 0.35 2.02 -1.88 0.96 112.91 115.06 3hov h THR 527 Ca 0.00 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 3hov h THR 527 Cb 0.00 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.46 3hov h THR 527 CO -0.00 0.04 -0.20 0.25 0.37 0.00 0.00 175.52 175.97 3hov h LEU 528 N 0.22 -0.48 -1.00 2.58 5.85 -0.32 1.16 115.31 123.32 3hov h LEU 528 Ca 0.62 -0.09 0.08 0.00 0.84 0.00 0.00 57.88 59.33 3hov h LEU 528 Cb 1.32 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 42.40 3hov h LEU 528 CO -0.67 -0.18 0.64 0.00 -0.34 0.00 0.00 178.44 177.90 3hov h GLY 530 N 1.12 0.60 1.27 0.00 0.00 0.11 -3.27 103.07 102.90 3hov h GLY 530 Ca 0.45 -1.19 0.10 0.00 0.00 0.00 0.00 47.33 46.70 3hov h GLY 530 CO -0.20 1.04 0.26 1.19 0.00 0.00 0.00 176.54 178.84 3hov h ILE 531 N 0.10 0.77 0.66 2.60 2.10 0.17 -1.71 117.51 122.20 3hov h ILE 531 Ca -0.14 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 65.77 3hov h ILE 531 Cb 1.67 0.81 0.01 0.00 -1.09 0.00 0.00 36.82 38.22 3hov h ILE 531 CO 0.19 0.00 -0.32 -0.09 -1.08 0.00 0.00 178.15 176.85 3hov h ARG 532 N 0.00 -0.86 -0.98 2.19 2.43 -1.47 -3.03 114.38 112.66 3hov h ARG 532 Ca 0.17 0.06 0.13 0.00 -0.81 0.00 0.00 59.98 59.53 3hov h ARG 532 Cb 0.70 0.20 -0.08 0.00 -0.42 0.00 0.00 29.97 30.36 3hov h ARG 532 CO -0.00 -0.54 0.62 0.87 -1.51 0.00 0.00 179.97 179.41 3hov h LYS 533 N -1.11 0.87 0.00 0.20 1.57 -1.43 0.25 116.57 116.93 3hov h LYS 533 Ca -0.09 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3hov h LYS 533 Cb 0.72 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.83 3hov h LYS 533 CO 0.15 0.58 0.00 -0.11 -0.57 0.00 0.00 179.45 179.50 3hov n LEU 534 N -4.62 0.00 -0.12 2.94 7.94 -0.72 -3.51 117.00 118.92 3hov n LEU 534 Ca 0.19 0.38 -0.15 0.00 -1.11 0.00 0.00 56.01 55.33 3hov n LEU 534 Cb 0.40 -0.38 -0.13 0.00 0.53 0.00 0.00 43.42 43.84 3hov n LEU 534 CO 0.27 -0.20 -1.26 0.41 -1.11 0.00 0.00 177.39 175.50 3hov n THR 535 N -1.38 1.42 -1.55 1.96 -1.04 0.87 -3.27 114.28 111.28 3hov n THR 535 Ca 0.05 -0.67 -0.58 0.00 -2.04 0.00 0.00 64.05 60.81 3hov n THR 535 Cb 0.14 -1.04 -0.08 0.00 -1.82 0.00 0.00 70.33 67.53 3hov n THR 535 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3hov n LEU 536 N -3.05 0.58 -0.25 -4.42 4.77 -1.08 -4.35 117.00 109.21 3hov n LEU 536 Ca -0.40 1.15 0.21 0.00 -0.03 0.00 0.00 56.01 56.94 3hov n LEU 536 Cb 1.04 -0.99 0.40 0.00 -2.33 0.00 0.00 43.42 41.54 3hov n LEU 536 CO 0.32 -1.55 0.76 0.54 -1.33 0.00 0.00 177.39 176.13 3hov n ARG 537 N 2.13 -0.05 -0.12 3.23 1.74 -1.26 0.72 116.66 123.04 3hov n ARG 537 Ca 0.21 1.08 0.19 0.00 -0.77 0.00 0.00 57.85 58.56 3hov n ARG 537 Cb 0.09 -1.89 0.59 0.00 -1.02 0.00 0.00 32.46 30.24 3hov n ARG 537 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3hov h ASP 538 N 0.00 0.22 -2.71 0.55 3.45 -1.96 -3.43 116.42 112.55 3hov h ASP 538 Ca 0.61 0.01 -0.56 0.00 0.43 0.00 0.00 57.03 57.52 3hov h ASP 538 Cb 1.54 -0.03 -0.03 0.00 -0.56 0.00 0.00 39.33 40.25 3hov h ASP 538 CO -0.62 0.11 1.24 -0.89 -1.57 0.00 0.00 179.24 177.51 3hov s THR 539 N -5.23 3.55 -0.08 0.35 2.01 0.22 -5.01 115.64 111.46 3hov s THR 539 Ca -0.07 0.54 0.05 0.00 0.31 0.00 0.00 61.69 62.52 3hov s THR 539 Cb 0.21 -3.81 -0.00 0.00 0.01 0.00 0.00 72.50 68.91 3hov s THR 539 CO 0.76 -0.55 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.55 3hov s PHE 540 N 6.84 2.31 -0.12 4.92 0.40 -1.26 -2.76 117.98 128.31 3hov s PHE 540 Ca 0.74 -0.83 0.01 0.00 -0.60 0.00 0.00 56.93 56.26 3hov s PHE 540 Cb -0.19 -1.54 -0.01 0.00 0.51 0.00 0.00 43.02 41.78 3hov s PHE 540 CO 0.32 -0.31 -0.17 0.42 0.70 0.00 0.00 175.22 176.18 3hov s ILE 541 N 0.18 2.72 0.12 0.64 1.01 0.58 -4.92 121.20 121.54 3hov s ILE 541 Ca -0.12 -0.78 -0.05 0.00 0.00 0.00 0.00 60.65 59.70 3hov s ILE 541 Cb -0.16 -2.11 -0.05 0.00 0.01 0.00 0.00 42.46 40.15 3hov s ILE 541 CO 0.06 0.54 0.35 -1.83 0.00 0.00 0.00 174.94 174.06 3hov s GLU 542 N 0.33 3.60 0.00 2.79 -1.05 -1.26 0.01 118.70 123.13 3hov s GLU 542 Ca -0.13 -0.11 0.00 0.00 -0.15 0.00 0.00 54.97 54.57 3hov s GLU 542 Cb -0.17 -2.90 0.00 0.00 -0.44 0.00 0.00 34.13 30.63 3hov s GLU 542 CO 0.07 0.50 0.10 -0.11 0.95 0.00 0.00 175.26 176.76 3hov n LEU 543 N 0.23 0.00 -0.23 1.83 7.94 -1.26 -1.87 117.00 123.64 3hov n LEU 543 Ca -0.04 0.10 0.10 0.00 -1.11 0.00 0.00 56.01 55.06 3hov n LEU 543 Cb 0.52 -0.04 0.20 0.00 0.53 0.00 0.00 43.42 44.63 3hov n LEU 543 CO 0.48 -0.04 0.54 -0.90 -1.11 0.00 0.00 177.39 176.36 3hov n ASP 544 N -1.72 -0.07 -0.03 1.96 5.75 -1.26 -0.33 116.55 120.84 3hov n ASP 544 Ca 0.00 1.15 -0.19 0.00 -0.01 0.00 0.00 54.79 55.74 3hov n ASP 544 Cb 0.00 -0.42 -0.13 0.00 -1.03 0.00 0.00 41.12 39.54 3hov n ASP 544 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 3hov h GLN 545 N 0.00 0.14 -1.13 0.11 4.15 -1.78 -3.25 115.11 113.35 3hov h GLN 545 Ca 0.41 -0.24 0.32 0.00 0.77 0.00 0.00 58.65 59.91 3hov h GLN 545 Cb 0.86 0.09 -0.10 0.00 0.21 0.00 0.00 27.48 28.54 3hov h GLN 545 CO -0.63 1.11 0.73 0.28 -1.93 0.00 0.00 178.83 178.39 3hov h VAL 546 N -0.64 0.40 -0.56 2.39 2.07 -0.28 0.73 116.25 120.36 3hov h VAL 546 Ca -0.20 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 67.17 3hov h VAL 546 Cb 1.44 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 3hov h VAL 546 CO 0.01 0.05 0.16 -0.07 0.02 0.00 0.00 177.57 177.73 3hov h LEU 547 N 0.28 0.83 -0.07 2.57 3.38 -0.84 0.34 115.31 121.80 3hov h LEU 547 Ca 0.66 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.40 3hov h LEU 547 Cb 1.86 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 42.39 3hov h LEU 547 CO -0.32 0.83 0.00 0.78 0.09 0.00 0.00 178.44 179.83 3hov h ASN 548 N 0.79 0.11 -1.00 -0.43 2.35 0.30 -1.71 115.58 115.99 3hov h ASN 548 Ca 0.18 -0.30 0.14 0.00 -0.55 0.00 0.00 56.30 55.77 3hov h ASN 548 Cb 0.31 -0.03 -0.09 0.00 0.05 0.00 0.00 38.32 38.56 3hov h ASN 548 CO -0.00 0.38 0.62 0.24 -1.65 0.00 0.00 177.43 177.02 3hov h MET 549 N -0.16 0.91 -0.10 0.81 2.86 -0.60 -0.87 114.93 117.78 3hov h MET 549 Ca 0.02 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 3hov h MET 549 Cb 0.32 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.77 3hov h MET 549 CO 0.00 0.60 0.01 -0.07 1.06 0.00 0.00 176.91 178.51 3hov h LEU 550 N 0.93 0.17 -1.43 1.22 3.38 -0.66 -2.96 115.31 115.96 3hov h LEU 550 Ca 0.52 -0.28 0.08 0.00 0.09 0.00 0.00 57.88 58.29 3hov h LEU 550 Cb 0.59 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 3hov h LEU 550 CO -0.30 0.40 0.47 0.22 0.09 0.00 0.00 178.44 179.33 3hov h TYR 551 N -0.07 0.69 0.00 1.13 3.20 -0.36 -1.68 116.97 119.88 3hov h TYR 551 Ca 0.03 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 3hov h TYR 551 Cb 0.31 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.35 3hov h TYR 551 CO 0.02 0.34 -0.02 -1.49 -1.64 0.00 0.00 178.16 175.37 3hov h TRP 552 N 0.67 0.00 -3.57 -3.82 4.06 -1.03 -3.38 115.95 108.88 3hov h TRP 552 Ca 0.32 0.00 -0.58 0.00 2.06 0.00 0.00 58.89 60.69 3hov h TRP 552 Cb 0.38 0.00 -0.09 0.00 -1.00 0.00 0.00 29.16 28.46 3hov h TRP 552 CO -0.00 0.02 0.72 0.08 -3.56 0.00 0.00 178.44 175.70 3hov s VAL 553 N -4.40 4.44 0.60 1.49 1.01 -0.63 -4.82 120.40 118.09 3hov s VAL 553 Ca -0.04 1.16 0.32 0.00 0.00 0.00 0.00 61.98 63.42 3hov s VAL 553 Cb 0.14 -4.44 0.32 0.00 0.00 0.00 0.00 36.38 32.40 3hov s VAL 553 CO 0.52 -0.74 1.99 1.55 0.00 0.00 0.00 175.10 178.43 3hov h PRO 554 N 8.78 0.00 0.00 2.72 0.13 -1.85 -2.69 132.00 139.09 3hov h PRO 554 Ca -0.23 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.54 3hov h PRO 554 Cb 1.07 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.13 3hov h PRO 554 CO 1.04 0.00 -2.33 -0.25 -0.23 0.00 0.00 178.00 176.23 3hov n ASP 555 N -2.87 0.27 0.00 1.44 8.00 -1.26 -5.02 116.55 117.12 3hov n ASP 555 Ca -0.02 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.51 3hov n ASP 555 Cb 0.29 0.76 0.00 0.00 -0.02 0.00 0.00 41.12 42.15 3hov n ASP 555 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 3hov n TRP 556 N -2.83 0.00 1.07 1.24 -0.00 -1.02 -4.67 117.44 111.23 3hov n TRP 556 Ca -0.33 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.17 3hov n TRP 556 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 32.44 3hov n TRP 556 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 3hov n ASP 557 N 0.00 0.91 -3.81 5.87 5.75 -1.26 -4.84 116.55 119.17 3hov n ASP 557 Ca 0.00 -1.98 -0.27 0.00 -0.01 0.00 0.00 54.79 52.53 3hov n ASP 557 Cb 0.00 -0.45 0.04 0.00 -1.03 0.00 0.00 41.12 39.67 3hov n ASP 557 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hov n GLY 558 N 0.05 -0.45 2.80 6.12 0.00 -1.26 -4.96 105.19 107.49 3hov n GLY 558 Ca 0.00 0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 3hov n GLY 558 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hov s VAL 559 N -3.40 1.56 -0.08 1.61 1.01 -1.26 -5.08 120.40 114.75 3hov s VAL 559 Ca 0.46 -2.31 -0.30 0.00 0.00 0.00 0.00 61.98 59.84 3hov s VAL 559 Cb -0.23 -2.12 -0.08 0.00 0.00 0.00 0.00 36.38 33.95 3hov s VAL 559 CO 0.81 -0.77 2.06 -0.38 0.00 0.00 0.00 175.10 176.82 3hov n ILE 560 N 3.96 0.58 -2.51 2.22 5.41 -1.26 -4.92 119.36 122.84 3hov n ILE 560 Ca 0.04 -0.25 -0.39 0.00 1.00 0.00 0.00 62.75 63.15 3hov n ILE 560 Cb 0.37 -2.32 -0.04 0.00 -0.71 0.00 0.00 39.64 36.94 3hov n ILE 560 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3hov s PRO 561 N 5.15 4.48 0.12 0.38 0.04 -1.26 -4.96 135.00 138.94 3hov s PRO 561 Ca 0.95 1.68 -0.34 0.00 0.04 0.00 0.00 61.00 63.33 3hov s PRO 561 Cb -0.45 -2.96 -0.13 0.00 0.04 0.00 0.00 34.50 30.99 3hov s PRO 561 CO 0.41 0.10 1.64 2.41 0.04 0.00 0.00 177.00 181.60 3hov n THR 562 N 0.74 0.11 -1.63 1.26 -1.04 -1.26 -4.89 114.28 107.57 3hov n THR 562 Ca 0.01 -0.02 -0.48 0.00 -2.04 0.00 0.00 64.05 61.52 3hov n THR 562 Cb 0.47 -1.61 -0.04 0.00 -1.82 0.00 0.00 70.33 67.32 3hov n THR 562 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3hov n PRO 563 N 4.03 1.71 0.12 -2.82 -0.02 -1.26 -4.81 135.00 131.95 3hov n PRO 563 Ca 0.18 0.61 0.05 0.00 -2.02 0.00 0.00 63.50 62.32 3hov n PRO 563 Cb 0.29 -2.28 0.50 0.00 -0.02 0.00 0.00 33.50 31.99 3hov n PRO 563 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hov h ALA 564 N 4.77 1.79 -3.52 3.55 0.00 -1.83 -3.37 119.26 120.65 3hov h ALA 564 Ca -0.45 -0.05 -0.67 0.00 0.00 0.00 0.00 54.91 53.74 3hov h ALA 564 Cb 1.29 -0.09 -0.36 0.00 0.00 0.00 0.00 17.79 18.64 3hov h ALA 564 CO 0.80 0.18 -0.83 0.42 0.00 0.00 0.00 179.25 179.82 3hov s ILE 565 N -5.20 2.12 -0.27 0.00 1.01 -0.99 -4.98 121.20 112.89 3hov s ILE 565 Ca -0.07 -1.33 -0.05 0.00 0.00 0.00 0.00 60.65 59.20 3hov s ILE 565 Cb 0.17 -2.10 -0.15 0.00 0.01 0.00 0.00 42.46 40.39 3hov s ILE 565 CO 0.71 0.22 -0.27 -0.38 0.00 0.00 0.00 174.94 175.22 3hov n ILE 566 N 4.51 1.51 0.00 2.92 5.41 -1.26 -0.73 119.36 131.73 3hov n ILE 566 Ca -0.17 -0.49 0.00 0.00 1.00 0.00 0.00 62.75 63.09 3hov n ILE 566 Cb 0.45 -1.64 0.00 0.00 -0.71 0.00 0.00 39.64 37.75 3hov n ILE 566 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 3hov n LYS 567 N -3.71 0.00 0.25 0.38 2.85 -1.26 -3.80 118.16 112.87 3hov n LYS 567 Ca -0.49 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 56.61 3hov n LYS 567 Cb 0.94 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 35.24 3hov n LYS 567 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 177.40 176.35 3hov h PRO 568 N 0.00 -0.58 -6.27 -1.58 0.13 -2.05 -3.44 132.00 118.21 3hov h PRO 568 Ca 0.00 0.04 -0.69 0.00 -0.87 0.00 0.00 66.00 64.48 3hov h PRO 568 Cb 0.00 0.13 -0.27 0.00 0.13 0.00 0.00 31.00 30.99 3hov h PRO 568 CO 0.00 -0.32 -0.83 0.21 -0.23 0.00 0.00 178.00 176.83 3hov s LYS 569 N -5.61 2.46 -0.45 0.86 2.20 -1.25 -5.08 119.74 112.88 3hov s LYS 569 Ca -0.16 -0.81 -0.29 0.00 -0.36 0.00 0.00 55.97 54.36 3hov s LYS 569 Cb 0.03 -2.25 0.02 0.00 -1.51 0.00 0.00 37.83 34.12 3hov s LYS 569 CO 0.60 0.52 1.24 -1.25 -0.36 0.00 0.00 175.35 176.11 3hov s PRO 570 N -0.50 3.67 0.14 4.03 0.04 -1.25 -4.40 135.00 136.73 3hov s PRO 570 Ca 0.06 0.71 0.11 0.00 0.04 0.00 0.00 61.00 61.92 3hov s PRO 570 Cb -0.11 -3.95 -0.04 0.00 0.04 0.00 0.00 34.50 30.43 3hov s PRO 570 CO 0.01 -1.45 -0.26 -0.51 0.04 0.00 0.00 177.00 174.83 3hov s LEU 571 N 4.83 2.36 0.17 -3.56 1.02 0.09 -4.16 118.68 119.43 3hov s LEU 571 Ca 0.53 -0.75 0.11 0.00 0.02 0.00 0.00 54.13 54.04 3hov s LEU 571 Cb -0.10 -1.24 -0.04 0.00 0.02 0.00 0.00 46.19 44.83 3hov s LEU 571 CO 0.32 0.17 -0.24 0.26 0.02 0.00 0.00 176.35 176.88 3hov s TRP 572 N -1.13 2.23 0.12 0.29 0.51 0.10 -2.35 118.94 118.71 3hov s TRP 572 Ca 0.15 -0.38 0.04 0.00 -2.12 0.00 0.00 56.10 53.79 3hov s TRP 572 Cb -0.10 -1.14 -0.04 0.00 -0.81 0.00 0.00 33.47 31.39 3hov s TRP 572 CO 0.07 0.42 0.10 -1.54 -0.51 0.00 0.00 176.95 175.49 3hov s SER 573 N -2.46 5.50 0.08 2.95 1.04 -1.26 0.22 113.70 119.77 3hov s SER 573 Ca 0.18 -0.07 -0.22 0.00 0.48 0.00 0.00 55.95 56.31 3hov s SER 573 Cb -0.08 -1.45 -0.08 0.00 0.10 0.00 0.00 66.02 64.50 3hov s SER 573 CO 0.08 0.12 1.36 1.23 0.98 0.00 0.00 173.24 177.01 3hov h GLY 574 N 2.88 -1.29 -0.85 7.32 0.00 -1.52 0.14 103.07 109.74 3hov h GLY 574 Ca -0.47 0.71 0.28 0.00 0.00 0.00 0.00 47.33 47.85 3hov h GLY 574 CO 0.64 -0.34 0.19 0.28 0.00 0.00 0.00 176.54 177.32 3hov n LYS 575 N -4.43 -0.06 0.05 4.80 5.02 -1.20 -1.30 118.16 121.03 3hov n LYS 575 Ca -0.03 1.24 -0.03 0.00 -2.02 0.00 0.00 58.31 57.47 3hov n LYS 575 Cb 0.24 -2.07 -0.02 0.00 -0.02 0.00 0.00 35.03 33.16 3hov n LYS 575 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 3hov h GLN 576 N 0.00 -0.17 -0.55 1.97 4.20 -1.06 -2.52 115.11 116.98 3hov h GLN 576 Ca 0.60 0.01 -0.05 0.00 0.06 0.00 0.00 58.65 59.27 3hov h GLN 576 Cb 1.40 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 29.19 3hov h GLN 576 CO -0.75 -0.11 0.14 -0.84 -0.67 0.00 0.00 178.83 176.60 3hov h ILE 577 N -0.17 1.23 -0.85 2.54 3.07 -1.01 -2.27 117.51 120.04 3hov h ILE 577 Ca -0.01 -0.81 0.15 0.00 1.55 0.00 0.00 64.86 65.73 3hov h ILE 577 Cb 0.15 0.66 -0.06 0.00 -0.27 0.00 0.00 36.82 37.29 3hov h ILE 577 CO -0.01 0.31 0.55 0.25 -1.05 0.00 0.00 178.15 178.20 3hov h LEU 578 N 0.81 0.56 0.00 0.16 5.85 -1.19 0.32 115.31 121.83 3hov h LEU 578 Ca 0.18 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3hov h LEU 578 Cb 0.29 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.25 3hov h LEU 578 CO -0.00 0.28 0.00 -1.20 -0.34 0.00 0.00 178.44 177.18 3hov n SER 579 N -4.53 0.00 0.16 1.25 7.64 -0.85 -1.15 113.62 116.13 3hov n SER 579 Ca 0.17 -0.14 0.05 0.00 1.01 0.00 0.00 58.87 59.96 3hov n SER 579 Cb 0.50 -0.14 0.11 0.00 -1.01 0.00 0.00 64.21 63.67 3hov n SER 579 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3hov h VAL 580 N 0.00 0.74 0.06 0.44 2.07 -0.44 -3.08 116.25 116.04 3hov h VAL 580 Ca 0.00 -1.93 -0.24 0.00 0.82 0.00 0.00 66.70 65.36 3hov h VAL 580 Cb 0.05 2.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 3hov h VAL 580 CO 0.00 0.40 -1.07 0.00 0.02 0.00 0.00 177.57 176.92 3hov h ALA 581 N 1.59 0.28 -1.86 1.67 0.00 -1.26 -3.43 119.26 116.25 3hov h ALA 581 Ca -0.00 -0.83 -0.57 0.00 0.00 0.00 0.00 54.91 53.51 3hov h ALA 581 Cb 1.24 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 3hov h ALA 581 CO 0.05 1.00 1.05 0.42 0.00 0.00 0.00 179.25 181.77 3hov s ILE 582 N -2.86 3.95 1.25 0.00 1.01 -1.17 -4.89 121.20 118.50 3hov s ILE 582 Ca -0.03 1.02 -0.18 0.00 0.00 0.00 0.00 60.65 61.45 3hov s ILE 582 Cb 0.09 -4.15 0.27 0.00 0.01 0.00 0.00 42.46 38.68 3hov s ILE 582 CO 0.85 -0.63 0.64 -0.81 0.00 0.00 0.00 174.94 174.99 3hov n PRO 583 N 7.82 -3.24 -2.72 2.79 -0.04 -1.26 -4.73 135.00 133.62 3hov n PRO 583 Ca 0.16 -0.95 -0.26 0.00 -0.04 0.00 0.00 63.50 62.41 3hov n PRO 583 Cb 0.47 -1.84 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 3hov n PRO 583 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3hov s ASN 584 N -2.46 6.12 -0.00 3.54 0.01 -1.26 -3.97 114.94 116.91 3hov s ASN 584 Ca 0.59 0.77 0.00 0.00 -0.71 0.00 0.00 52.86 53.51 3hov s ASN 584 Cb -0.14 -2.06 0.00 0.00 0.41 0.00 0.00 41.25 39.45 3hov s ASN 584 CO 0.55 -0.63 0.00 0.61 -1.51 0.00 0.00 177.10 176.12 3hov n GLY 585 N -2.24 0.49 3.49 0.66 0.00 -1.23 -4.83 105.19 101.54 3hov n GLY 585 Ca 0.01 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 3hov n GLY 585 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hov s ILE 586 N -1.98 5.02 -0.21 -0.61 -1.09 -1.26 -4.85 121.20 116.21 3hov s ILE 586 Ca 0.00 -0.21 -0.04 0.00 -2.23 0.00 0.00 60.65 58.17 3hov s ILE 586 Cb 0.00 -4.08 -0.01 0.00 -1.58 0.00 0.00 42.46 36.79 3hov s ILE 586 CO 0.00 -0.46 -0.03 -2.28 -1.23 0.00 0.00 174.94 170.94 3hov s HIS 587 N 2.31 2.97 -0.03 3.97 2.46 -1.26 -1.66 115.29 124.05 3hov s HIS 587 Ca 0.15 -0.79 -0.02 0.00 0.47 0.00 0.00 55.06 54.87 3hov s HIS 587 Cb -0.16 -2.10 0.01 0.00 -0.13 0.00 0.00 32.58 30.20 3hov s HIS 587 CO 0.15 -0.46 0.08 -1.17 -2.47 0.00 0.00 174.74 170.87 3hov s LEU 588 N 1.34 1.53 -0.02 8.88 2.96 -0.22 -4.99 118.68 128.16 3hov s LEU 588 Ca 0.04 0.16 -0.04 0.00 -0.22 0.00 0.00 54.13 54.07 3hov s LEU 588 Cb -0.14 0.23 0.00 0.00 0.50 0.00 0.00 46.19 46.78 3hov s LEU 588 CO -0.01 -0.05 0.09 -1.58 -1.32 0.00 0.00 176.35 173.47 3hov s GLN 589 N 0.29 0.22 0.00 1.98 0.74 -1.23 0.32 119.66 121.98 3hov s GLN 589 Ca -0.02 -0.08 0.00 0.00 0.05 0.00 0.00 55.36 55.31 3hov s GLN 589 Cb -0.03 0.09 0.00 0.00 1.10 0.00 0.00 33.01 34.17 3hov s GLN 589 CO -0.01 -0.04 0.00 -2.13 -0.55 0.00 0.00 175.29 172.56 3hov n ARG 590 N 2.49 0.00 -0.66 1.67 0.63 0.71 -4.89 116.66 116.60 3hov n ARG 590 Ca -0.16 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.77 3hov n ARG 590 Cb 0.58 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.49 3hov n ARG 590 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3hov n PHE 591 N -0.61 0.00 -0.03 -0.14 3.01 -1.26 -4.88 117.46 113.55 3hov n PHE 591 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.44 3hov n PHE 591 Cb 0.00 -0.76 -0.01 0.00 -0.01 0.00 0.00 39.48 38.70 3hov n PHE 591 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3hov n ASP 592 N 0.00 0.81 0.00 4.37 8.00 -1.26 -4.84 116.55 123.63 3hov n ASP 592 Ca 0.00 0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.87 3hov n ASP 592 Cb 0.00 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 40.45 3hov n ASP 592 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hov n GLU 593 N -3.31 0.00 -0.55 -1.24 1.02 -1.26 -4.87 120.64 110.43 3hov n GLU 593 Ca -0.04 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.05 3hov n GLU 593 Cb 0.14 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.48 3hov n GLU 593 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hov n GLY 594 N 0.31 2.15 3.87 0.62 0.00 -1.26 -4.80 105.19 106.08 3hov n GLY 594 Ca 0.00 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 3hov n GLY 594 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hov s THR 595 N 1.45 5.23 -0.39 2.61 2.01 -1.26 -4.23 115.64 121.07 3hov s THR 595 Ca 0.31 0.34 -0.03 0.00 0.31 0.00 0.00 61.69 62.63 3hov s THR 595 Cb 0.15 -3.59 0.21 0.00 0.01 0.00 0.00 72.50 69.28 3hov s THR 595 CO 0.00 0.41 1.01 0.35 -0.69 0.00 0.00 174.62 175.70 3hov n THR 596 N 1.27 0.00 0.00 -0.82 -2.24 -1.26 -4.88 114.28 106.35 3hov n THR 596 Ca -0.12 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 3hov n THR 596 Cb 0.53 0.73 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 3hov n THR 596 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3hov n LEU 597 N 2.62 0.00 -0.36 3.22 4.32 -1.26 -2.66 117.00 122.88 3hov n LEU 597 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.12 3hov n LEU 597 Cb 0.63 -0.27 0.00 0.00 -1.62 0.00 0.00 43.42 42.15 3hov n LEU 597 CO -0.09 0.00 0.18 -0.11 -1.22 0.00 0.00 177.39 176.15 3hov n LEU 598 N 0.00 0.00 -0.59 2.23 0.00 -1.26 -5.10 117.00 112.28 3hov n LEU 598 Ca 0.00 -0.73 -0.08 0.00 0.00 0.00 0.00 56.01 55.20 3hov n LEU 598 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.40 3hov n LEU 598 CO 0.00 0.86 0.24 -1.54 0.00 0.00 0.00 177.39 176.95 3hov n SER 599 N 0.00 0.10 -0.00 1.96 3.41 -1.09 -4.78 113.62 113.22 3hov n SER 599 Ca 0.00 0.10 -0.12 0.00 -0.26 0.00 0.00 58.87 58.58 3hov n SER 599 Cb 0.37 -0.12 -0.08 0.00 -0.26 0.00 0.00 64.21 64.11 3hov n SER 599 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3hov h PRO 600 N 1.24 0.06 0.00 4.33 0.13 -1.90 -2.93 132.00 132.94 3hov h PRO 600 Ca -0.01 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 3hov h PRO 600 Cb 0.20 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.32 3hov h PRO 600 CO 0.15 0.33 0.00 1.63 -0.23 0.00 0.00 178.00 179.88 3hov n LYS 601 N -4.91 0.54 -3.14 0.86 5.02 -1.26 -4.84 118.16 110.43 3hov n LYS 601 Ca -0.07 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.08 3hov n LYS 601 Cb 0.17 -1.42 0.07 0.00 -0.02 0.00 0.00 35.03 33.83 3hov n LYS 601 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3hov n ASP 602 N -0.92 -3.93 -1.70 4.39 2.03 -1.11 -4.92 116.55 110.38 3hov n ASP 602 Ca 0.11 -0.58 0.00 0.00 0.52 0.00 0.00 54.79 54.84 3hov n ASP 602 Cb 0.05 -4.56 0.00 0.00 -0.72 0.00 0.00 41.12 35.89 3hov n ASP 602 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3hov n ASN 603 N -2.92 0.00 0.00 1.67 3.02 -1.26 -2.78 115.26 112.98 3hov n ASN 603 Ca -0.16 -0.61 0.00 0.00 -0.03 0.00 0.00 54.58 53.78 3hov n ASN 603 Cb 0.63 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.80 3hov n ASN 603 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hov n GLY 604 N 5.00 0.64 3.58 7.41 0.00 -1.26 -4.09 105.19 116.47 3hov n GLY 604 Ca 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 46.02 45.85 3hov n GLY 604 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3hov s MET 605 N 0.00 0.26 -0.14 1.61 1.75 -1.26 -4.44 119.30 117.08 3hov s MET 605 Ca 0.00 0.50 -0.01 0.00 -1.25 0.00 0.00 55.69 54.93 3hov s MET 605 Cb 0.00 0.12 0.04 0.00 2.84 0.00 0.00 34.83 37.82 3hov s MET 605 CO 0.00 -0.06 -0.04 -1.17 -0.65 0.00 0.00 175.02 173.10 3hov s LEU 606 N 1.49 1.29 -0.09 4.11 2.96 -1.04 -0.21 118.68 127.18 3hov s LEU 606 Ca -0.07 -0.49 0.02 0.00 -0.22 0.00 0.00 54.13 53.36 3hov s LEU 606 Cb -0.03 -0.78 0.02 0.00 0.50 0.00 0.00 46.19 45.89 3hov s LEU 606 CO -0.14 -0.18 -0.13 -0.63 -1.32 0.00 0.00 176.35 173.94 3hov s ILE 607 N 1.73 1.31 -0.05 6.68 1.01 0.15 -0.03 121.20 132.00 3hov s ILE 607 Ca 0.02 -0.54 0.04 0.00 0.00 0.00 0.00 60.65 60.17 3hov s ILE 607 Cb -0.14 -1.21 -0.00 0.00 0.01 0.00 0.00 42.46 41.12 3hov s ILE 607 CO -0.07 0.40 -0.16 -0.63 0.00 0.00 0.00 174.94 174.48 3hov s ILE 608 N 0.95 1.35 -1.06 2.92 1.01 -0.44 -1.05 121.20 124.88 3hov s ILE 608 Ca -0.08 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 59.91 3hov s ILE 608 Cb -0.15 -1.17 0.00 0.00 0.01 0.00 0.00 42.46 41.15 3hov s ILE 608 CO -0.00 0.39 0.00 -0.67 0.00 0.00 0.00 174.94 174.66 3hov n ASP 609 N 3.27 -3.37 0.00 3.58 2.03 -1.17 -0.88 116.55 120.01 3hov n ASP 609 Ca -0.19 0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.37 3hov n ASP 609 Cb 0.53 -3.01 0.00 0.00 -0.72 0.00 0.00 41.12 37.92 3hov n ASP 609 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3hov n GLY 610 N -0.55 0.78 2.88 0.27 0.00 -0.66 -3.50 105.19 104.41 3hov n GLY 610 Ca -0.13 -0.64 -0.20 0.00 0.00 0.00 0.00 46.02 45.05 3hov n GLY 610 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hov s GLN 611 N -2.18 0.82 -0.05 1.61 -1.52 -0.06 -4.64 119.66 113.63 3hov s GLN 611 Ca 0.00 -0.09 -0.30 0.00 -1.95 0.00 0.00 55.36 53.03 3hov s GLN 611 Cb 0.00 -0.86 -0.06 0.00 -0.22 0.00 0.00 33.01 31.86 3hov s GLN 611 CO 0.00 -0.11 1.76 0.42 -0.25 0.00 0.00 175.29 177.12 3hov s ILE 612 N 1.04 3.41 -0.16 1.08 1.01 -1.26 -1.33 121.20 124.99 3hov s ILE 612 Ca -0.09 0.49 0.04 0.00 0.00 0.00 0.00 60.65 61.09 3hov s ILE 612 Cb -0.14 -3.34 -0.23 0.00 0.01 0.00 0.00 42.46 38.77 3hov s ILE 612 CO -0.01 -0.06 0.18 -0.38 0.00 0.00 0.00 174.94 174.67 3hov n ILE 613 N 5.68 1.60 -3.60 2.92 5.41 0.95 -4.83 119.36 127.48 3hov n ILE 613 Ca 0.19 -0.69 -0.06 0.00 1.00 0.00 0.00 62.75 63.19 3hov n ILE 613 Cb 0.43 -1.30 -0.04 0.00 -0.71 0.00 0.00 39.64 38.01 3hov n ILE 613 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 3hov s PHE 614 N -2.54 -0.20 0.00 1.39 -0.12 -1.14 -4.99 117.98 110.37 3hov s PHE 614 Ca -0.21 0.30 0.00 0.00 -0.05 0.00 0.00 56.93 56.97 3hov s PHE 614 Cb 0.07 0.48 0.00 0.00 -0.63 0.00 0.00 43.02 42.95 3hov s PHE 614 CO 0.74 -0.21 0.00 0.41 -0.05 0.00 0.00 175.22 176.11 3hov n GLY 615 N 0.47 2.30 3.75 1.99 0.00 -1.26 -2.50 105.19 109.96 3hov n GLY 615 Ca -0.04 -1.50 -0.36 0.00 0.00 0.00 0.00 46.02 44.12 3hov n GLY 615 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hov s VAL 616 N -0.64 2.65 -0.27 1.61 1.01 -1.12 -4.93 120.40 118.71 3hov s VAL 616 Ca 0.00 0.40 -0.07 0.00 0.00 0.00 0.00 61.98 62.30 3hov s VAL 616 Cb 0.00 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.24 3hov s VAL 616 CO 0.00 -0.10 0.08 -0.69 0.00 0.00 0.00 175.10 174.39 3hov s VAL 617 N -1.66 4.18 0.26 2.92 1.01 -1.26 -4.89 120.40 120.96 3hov s VAL 617 Ca 0.77 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 62.33 3hov s VAL 617 Cb -0.30 -3.05 0.01 0.00 0.00 0.00 0.00 36.38 33.04 3hov s VAL 617 CO 0.34 0.22 0.36 -1.84 0.00 0.00 0.00 175.10 174.17 3hov n GLU 618 N 4.91 0.52 -0.13 2.72 -0.00 -1.26 -3.16 120.64 124.24 3hov n GLU 618 Ca -0.15 -2.05 0.01 0.00 -0.00 0.00 0.00 57.16 54.96 3hov n GLU 618 Cb 0.50 1.98 0.03 0.00 -0.00 0.00 0.00 31.44 33.95 3hov n GLU 618 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 3hov n LYS 619 N -0.42 -0.06 0.32 3.44 4.81 -0.98 0.76 118.16 126.02 3hov n LYS 619 Ca 0.00 0.53 0.19 0.00 -0.87 0.00 0.00 58.31 58.17 3hov n LYS 619 Cb 0.43 -0.79 1.01 0.00 0.02 0.00 0.00 35.03 35.69 3hov n LYS 619 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 3hov h LYS 620 N 0.00 0.00 0.00 1.64 1.57 -1.95 0.12 116.57 117.94 3hov h LYS 620 Ca 0.14 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.66 3hov h LYS 620 Cb 0.23 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.49 3hov h LYS 620 CO -0.35 0.00 -1.98 2.41 -0.57 0.00 0.00 179.45 178.96 3hov n THR 621 N -3.14 0.98 -0.35 -0.16 -1.04 0.23 -4.64 114.28 106.16 3hov n THR 621 Ca -0.02 -0.38 0.05 0.00 -2.04 0.00 0.00 64.05 61.66 3hov n THR 621 Cb 0.23 -1.11 0.12 0.00 -1.82 0.00 0.00 70.33 67.75 3hov n THR 621 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 3hov n VAL 622 N -3.01 1.30 -2.12 12.58 3.14 -1.01 -0.44 118.33 128.76 3hov n VAL 622 Ca -0.30 -1.28 0.00 0.00 -2.96 0.00 0.00 64.34 59.80 3hov n VAL 622 Cb 0.82 0.30 0.00 0.00 -1.06 0.00 0.00 33.84 33.90 3hov n VAL 622 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3hov n GLY 623 N -0.18 1.12 2.23 7.55 0.00 0.40 -2.09 105.19 114.22 3hov n GLY 623 Ca 0.10 -1.98 -0.22 0.00 0.00 0.00 0.00 46.02 43.92 3hov n GLY 623 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hov n SER 624 N -2.01 6.37 -4.87 1.61 3.41 -1.26 -4.65 113.62 112.21 3hov n SER 624 Ca 0.00 -3.10 -0.31 0.00 -0.26 0.00 0.00 58.87 55.21 3hov n SER 624 Cb 0.00 -1.18 -0.00 0.00 -0.26 0.00 0.00 64.21 62.77 3hov n SER 624 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3hov s SER 625 N 0.43 6.31 0.09 4.04 1.04 -1.26 -4.59 113.70 119.76 3hov s SER 625 Ca 0.49 1.37 -0.28 0.00 0.48 0.00 0.00 55.95 58.01 3hov s SER 625 Cb 0.33 -2.44 -0.13 0.00 0.10 0.00 0.00 66.02 63.87 3hov s SER 625 CO -0.13 -0.76 1.65 -1.13 0.98 0.00 0.00 173.24 173.85 3hov h ASN 626 N 0.03 -0.62 -0.18 7.02 -0.73 -1.91 -2.40 115.58 116.78 3hov h ASN 626 Ca -0.45 0.05 0.00 0.00 1.87 0.00 0.00 56.30 57.77 3hov h ASN 626 Cb 1.19 0.21 0.00 0.00 0.27 0.00 0.00 38.32 39.99 3hov h ASN 626 CO 0.62 -0.36 0.00 0.61 -0.37 0.00 0.00 177.43 177.93 3hov n GLY 627 N -1.36 -0.07 1.66 1.57 0.00 -1.26 -4.76 105.19 100.96 3hov n GLY 627 Ca -0.09 -0.26 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 3hov n GLY 627 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hov n GLY 628 N 0.90 -0.90 0.36 -0.02 0.00 -0.90 -4.60 105.19 100.02 3hov n GLY 628 Ca 0.10 0.15 0.14 0.00 0.00 0.00 0.00 46.02 46.41 3hov n GLY 628 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hov h LEU 629 N 0.46 0.33 0.10 0.99 7.12 -1.05 0.17 115.31 123.43 3hov h LEU 629 Ca -0.14 0.01 -0.00 0.00 0.13 0.00 0.00 57.88 57.88 3hov h LEU 629 Cb 0.70 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.78 3hov h LEU 629 CO 0.27 0.19 -0.05 0.40 -0.13 0.00 0.00 178.44 179.13 3hov h ILE 630 N 0.37 1.11 -0.92 4.05 2.04 -1.83 -0.30 117.51 122.03 3hov h ILE 630 Ca 0.30 -1.25 0.24 0.00 1.00 0.00 0.00 64.86 65.15 3hov h ILE 630 Cb 0.67 1.85 -0.06 0.00 -0.74 0.00 0.00 36.82 38.54 3hov h ILE 630 CO -0.08 0.28 0.63 -0.74 0.00 0.00 0.00 178.15 178.24 3hov h HIS 631 N -0.76 0.34 0.07 1.37 2.76 -1.42 -0.44 115.15 117.07 3hov h HIS 631 Ca -0.01 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.16 3hov h HIS 631 Cb 0.56 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.42 3hov h HIS 631 CO 0.11 0.07 -0.03 0.28 -1.30 0.00 0.00 177.93 177.06 3hov h VAL 632 N 0.24 0.34 -0.61 5.26 2.07 -0.67 -3.13 116.25 119.74 3hov h VAL 632 Ca 0.47 -1.16 0.18 0.00 0.82 0.00 0.00 66.70 67.01 3hov h VAL 632 Cb 1.45 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 3hov h VAL 632 CO -0.12 0.11 0.44 0.58 0.02 0.00 0.00 177.57 178.60 3hov h VAL 633 N -1.01 0.68 0.08 2.57 2.07 -0.63 0.27 116.25 120.29 3hov h VAL 633 Ca -0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 3hov h VAL 633 Cb 0.25 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3hov h VAL 633 CO 0.02 0.00 -0.04 0.74 0.02 0.00 0.00 177.57 178.31 3hov h THR 634 N 0.00 1.20 0.30 2.57 2.02 -1.19 -1.26 112.91 116.54 3hov h THR 634 Ca 0.29 -1.13 -0.01 0.00 0.77 0.00 0.00 66.41 66.33 3hov h THR 634 Cb 1.18 1.91 0.00 0.00 -1.74 0.00 0.00 68.15 69.50 3hov h THR 634 CO -0.00 0.27 -0.14 0.03 0.37 0.00 0.00 175.52 176.05 3hov h ARG 635 N -0.63 -0.38 -0.06 6.66 2.47 -1.26 -0.16 114.38 121.02 3hov h ARG 635 Ca -0.01 0.03 -0.11 0.00 -1.26 0.00 0.00 59.98 58.63 3hov h ARG 635 Cb 0.52 0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.92 3hov h ARG 635 CO 0.02 -0.15 -0.45 1.49 0.56 0.00 0.00 179.97 181.43 3hov h GLU 636 N -0.56 0.15 0.00 0.04 4.57 -0.61 -3.37 114.58 114.80 3hov h GLU 636 Ca -0.04 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 3hov h GLU 636 Cb 0.41 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 3hov h GLU 636 CO 0.07 0.58 -1.02 1.63 -1.18 0.00 0.00 179.01 179.09 3hov n LYS 637 N -3.99 1.25 0.00 1.92 4.76 -0.48 -5.06 118.16 116.56 3hov n LYS 637 Ca -0.02 -0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.39 3hov n LYS 637 Cb 0.50 -1.04 0.00 0.00 -1.84 0.00 0.00 35.03 32.65 3hov n LYS 637 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hov n GLY 638 N 1.99 3.29 0.23 0.72 0.00 -0.07 -4.48 105.19 106.86 3hov n GLY 638 Ca -0.01 -1.89 0.08 0.00 0.00 0.00 0.00 46.02 44.20 3hov n GLY 638 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hov h PRO 639 N 0.00 0.00 0.60 1.61 0.13 -1.87 -2.85 132.00 129.62 3hov h PRO 639 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 3hov h PRO 639 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 3hov h PRO 639 CO 0.00 0.23 -0.29 1.96 -0.23 0.00 0.00 178.00 179.67 3hov h GLN 640 N 0.00 -0.77 -0.39 0.86 1.08 -1.89 -1.92 115.11 112.08 3hov h GLN 640 Ca -0.00 0.05 0.08 0.00 -1.45 0.00 0.00 58.65 57.33 3hov h GLN 640 Cb 0.50 0.18 -0.08 0.00 -0.05 0.00 0.00 27.48 28.03 3hov h GLN 640 CO 0.03 -0.52 -0.13 0.28 -0.95 0.00 0.00 178.83 177.55 3hov h VAL 641 N -1.01 0.55 -0.85 -0.54 2.07 -1.77 -1.69 116.25 113.01 3hov h VAL 641 Ca -0.08 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.46 3hov h VAL 641 Cb 0.62 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 3hov h VAL 641 CO 0.13 0.00 0.56 0.00 0.02 0.00 0.00 177.57 178.28 3hov h ALA 643 N 1.49 1.01 0.00 0.00 0.00 -0.49 -0.71 119.26 120.56 3hov h ALA 643 Ca 0.33 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hov h ALA 643 Cb -0.04 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3hov h ALA 643 CO -0.09 0.63 0.00 -0.22 0.00 0.00 0.00 179.25 179.57 3hov h LYS 644 N 0.94 0.00 -0.35 0.00 3.64 -0.67 -3.12 116.57 117.01 3hov h LYS 644 Ca 0.19 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.46 3hov h LYS 644 Cb 0.42 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 3hov h LYS 644 CO 0.01 0.00 -0.21 1.25 -2.27 0.00 0.00 179.45 178.23 3hov h LEU 645 N 0.00 0.79 -0.46 5.20 5.85 -0.25 -1.80 115.31 124.63 3hov h LEU 645 Ca 0.00 -0.42 0.05 0.00 0.84 0.00 0.00 57.88 58.35 3hov h LEU 645 Cb 0.49 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 3hov h LEU 645 CO 0.00 1.04 0.19 -0.26 -0.34 0.00 0.00 178.44 179.07 3hov h PHE 646 N 0.54 0.33 -0.07 1.25 -1.00 -1.46 0.01 116.94 116.55 3hov h PHE 646 Ca 0.07 0.02 0.02 0.00 2.81 0.00 0.00 57.97 60.90 3hov h PHE 646 Cb 0.76 -0.08 -0.05 0.00 3.61 0.00 0.00 35.95 40.19 3hov h PHE 646 CO 0.06 0.13 -0.46 0.78 -1.61 0.00 0.00 178.31 177.21 3hov h GLY 647 N 0.37 -1.17 0.98 -1.45 0.00 -1.54 -0.25 103.07 100.02 3hov h GLY 647 Ca 0.22 0.67 -0.04 0.00 0.00 0.00 0.00 47.33 48.18 3hov h GLY 647 CO -0.20 -0.26 -0.41 3.43 0.00 0.00 0.00 176.54 179.09 3hov h ASN 648 N -0.53 -0.97 -0.96 0.19 2.35 -1.01 -1.48 115.58 113.17 3hov h ASN 648 Ca 0.02 0.03 0.30 0.00 -0.55 0.00 0.00 56.30 56.10 3hov h ASN 648 Cb 0.60 0.25 -0.16 0.00 0.05 0.00 0.00 38.32 39.06 3hov h ASN 648 CO -0.35 -0.68 0.39 0.40 -1.65 0.00 0.00 177.43 175.55 3hov h ILE 649 N -1.19 0.22 0.40 2.81 2.04 -0.92 -1.43 117.51 119.44 3hov h ILE 649 Ca -0.12 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 3hov h ILE 649 Cb 0.89 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 3hov h ILE 649 CO 0.19 0.04 -0.19 1.56 0.00 0.00 0.00 178.15 179.75 3hov h GLN 650 N 0.20 -0.51 -1.06 2.37 4.20 -0.78 -2.31 115.11 117.22 3hov h GLN 650 Ca 0.68 0.03 0.36 0.00 0.06 0.00 0.00 58.65 59.78 3hov h GLN 650 Cb 1.53 0.12 -0.15 0.00 0.30 0.00 0.00 27.48 29.28 3hov h GLN 650 CO -0.69 -0.34 0.62 0.87 -0.67 0.00 0.00 178.83 178.62 3hov h LYS 651 N -0.68 0.22 0.08 1.46 1.57 -0.42 0.90 116.57 119.71 3hov h LYS 651 Ca -0.05 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3hov h LYS 651 Cb 0.41 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3hov h LYS 651 CO 0.09 0.15 -0.04 0.28 -0.57 0.00 0.00 179.45 179.36 3hov h VAL 652 N 0.23 0.00 -0.65 0.50 2.07 -1.34 -2.73 116.25 114.33 3hov h VAL 652 Ca 0.76 -0.12 0.09 0.00 0.82 0.00 0.00 66.70 68.25 3hov h VAL 652 Cb 1.92 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.62 3hov h VAL 652 CO -0.59 0.00 0.31 0.58 0.02 0.00 0.00 177.57 177.89 3hov h VAL 653 N -0.23 0.84 -0.79 2.57 2.07 -1.07 -0.48 116.25 119.17 3hov h VAL 653 Ca -0.01 -0.18 0.07 0.00 0.82 0.00 0.00 66.70 67.39 3hov h VAL 653 Cb 0.08 0.26 -0.06 0.00 -1.52 0.00 0.00 31.29 30.05 3hov h VAL 653 CO 0.02 0.10 0.46 0.78 0.02 0.00 0.00 177.57 178.95 3hov h ASN 654 N 0.54 0.70 0.19 0.57 2.35 0.68 0.16 115.58 120.76 3hov h ASN 654 Ca 0.32 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 56.09 3hov h ASN 654 Cb 0.34 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.59 3hov h ASN 654 CO -0.26 0.44 -0.09 0.15 -1.65 0.00 0.00 177.43 176.02 3hov h PHE 655 N 0.83 -0.23 -0.15 1.19 3.57 -0.97 -1.33 116.94 119.84 3hov h PHE 655 Ca 0.35 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.89 3hov h PHE 655 Cb 0.22 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.99 3hov h PHE 655 CO -0.05 0.03 -0.16 2.35 -2.23 0.00 0.00 178.31 178.24 3hov h TRP 656 N -0.47 -0.41 -0.86 0.41 7.01 -0.74 -1.19 115.95 119.71 3hov h TRP 656 Ca -0.03 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.03 3hov h TRP 656 Cb 0.36 0.21 -0.05 0.00 -2.10 0.00 0.00 29.16 27.58 3hov h TRP 656 CO -0.00 -0.23 0.56 1.25 -2.79 0.00 0.00 178.44 177.23 3hov h LEU 657 N -0.19 0.92 -0.88 0.65 5.85 -0.66 -1.07 115.31 119.93 3hov h LEU 657 Ca 0.10 -0.01 0.23 0.00 0.84 0.00 0.00 57.88 59.04 3hov h LEU 657 Cb 0.34 -0.22 -0.14 0.00 0.37 0.00 0.00 40.66 41.02 3hov h LEU 657 CO -0.27 0.64 0.28 0.25 -0.34 0.00 0.00 178.44 179.00 3hov h LEU 658 N 1.07 0.09 0.10 2.25 5.85 -0.01 0.84 115.31 125.51 3hov h LEU 658 Ca 0.34 0.19 -0.31 0.00 0.84 0.00 0.00 57.88 58.93 3hov h LEU 658 Cb 0.01 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 3hov h LEU 658 CO -0.10 -0.12 -1.61 0.45 -0.34 0.00 0.00 178.44 176.72 3hov h HIS 659 N 0.25 0.37 -0.01 1.25 3.86 -1.30 -3.35 115.15 116.23 3hov h HIS 659 Ca 0.55 -0.27 -0.16 0.00 -1.16 0.00 0.00 60.37 59.34 3hov h HIS 659 Cb 1.11 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.54 3hov h HIS 659 CO -0.23 1.37 -0.73 -0.97 0.86 0.00 0.00 177.93 178.23 3hov h ASN 660 N 0.06 0.05 -3.73 2.45 -1.24 -0.49 -3.50 115.58 109.18 3hov h ASN 660 Ca -0.27 -0.04 0.19 0.00 0.71 0.00 0.00 56.30 56.90 3hov h ASN 660 Cb 2.01 -0.02 -0.08 0.00 0.73 0.00 0.00 38.32 40.96 3hov h ASN 660 CO 0.14 0.77 -0.49 0.61 -1.29 0.00 0.00 177.43 177.16 3hov n GLY 661 N 0.57 -2.39 3.57 1.57 0.00 0.29 -5.06 105.19 103.73 3hov n GLY 661 Ca -0.01 -1.29 -0.10 0.00 0.00 0.00 0.00 46.02 44.62 3hov n GLY 661 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hov s PHE 662 N -2.76 -0.35 0.00 1.61 5.36 -1.26 -4.99 117.98 115.59 3hov s PHE 662 Ca 0.00 0.52 0.00 0.00 -0.96 0.00 0.00 56.93 56.49 3hov s PHE 662 Cb 0.00 0.47 0.00 0.00 -0.34 0.00 0.00 43.02 43.15 3hov s PHE 662 CO 0.00 -0.36 0.00 0.45 -1.46 0.00 0.00 175.22 173.85 3hov n SER 663 N 0.52 0.00 -3.64 6.13 2.88 -1.26 -5.18 113.62 113.06 3hov n SER 663 Ca -0.09 -0.26 -0.04 0.00 -1.33 0.00 0.00 58.87 57.15 3hov n SER 663 Cb 0.59 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.99 3hov n SER 663 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3hov s THR 664 N -2.85 0.00 0.26 2.46 -1.32 -1.26 -4.77 115.64 108.16 3hov s THR 664 Ca 0.00 0.00 -0.21 0.00 -1.21 0.00 0.00 61.69 60.27 3hov s THR 664 Cb 0.00 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.02 3hov s THR 664 CO 0.00 0.00 0.73 -0.83 -2.21 0.00 0.00 174.62 172.31 3hov s GLY 665 N -0.49 -0.15 0.55 6.08 0.00 -1.26 -5.00 107.32 107.05 3hov s GLY 665 Ca 0.07 -0.21 0.49 0.00 0.00 0.00 0.00 44.72 45.07 3hov s GLY 665 CO -0.10 -0.06 1.59 0.16 0.00 0.00 0.00 173.10 174.68 3hov h ILE 666 N 2.00 0.03 -0.87 0.90 -0.00 -2.03 1.06 117.51 118.60 3hov h ILE 666 Ca -0.21 -0.00 0.18 0.00 -0.00 0.00 0.00 64.86 64.83 3hov h ILE 666 Cb 1.25 0.03 -0.11 0.00 -0.00 0.00 0.00 36.82 37.99 3hov h ILE 666 CO 0.24 0.00 0.42 1.23 -0.00 0.00 0.00 178.15 180.04 3hov h GLY 667 N 0.00 1.45 1.29 0.16 0.00 -1.97 0.51 103.07 104.51 3hov h GLY 667 Ca 0.92 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 48.04 3hov h GLY 667 CO -0.03 -0.14 0.00 1.22 0.00 0.00 0.00 176.54 177.58 3hov n ASP 668 N -4.95 0.00 -0.14 0.19 8.00 0.37 -3.12 116.55 116.89 3hov n ASP 668 Ca 0.19 -0.29 0.07 0.00 0.71 0.00 0.00 54.79 55.47 3hov n ASP 668 Cb 0.54 -0.15 -0.05 0.00 -0.02 0.00 0.00 41.12 41.44 3hov n ASP 668 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3hov n THR 669 N -1.15 0.00 -3.46 -3.53 -2.24 0.18 -4.73 114.28 99.35 3hov n THR 669 Ca 0.12 -0.22 -0.37 0.00 -2.27 0.00 0.00 64.05 61.31 3hov n THR 669 Cb 0.11 1.08 -0.06 0.00 -2.10 0.00 0.00 70.33 69.35 3hov n THR 669 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3hov s ILE 670 N -2.21 5.23 0.17 2.28 -0.00 -1.16 -4.20 121.20 121.31 3hov s ILE 670 Ca 0.09 0.73 -0.17 0.00 -0.00 0.00 0.00 60.65 61.30 3hov s ILE 670 Cb 0.12 -3.71 -0.07 0.00 -0.00 0.00 0.00 42.46 38.80 3hov s ILE 670 CO 0.53 0.39 0.62 0.00 -0.00 0.00 0.00 174.94 176.49 3hov s ALA 671 N 0.31 3.51 0.27 2.27 0.00 -1.26 -5.02 121.76 121.84 3hov s ALA 671 Ca 0.21 -0.01 -0.27 0.00 0.00 0.00 0.00 51.96 51.89 3hov s ALA 671 Cb -0.14 -2.65 -0.15 0.00 0.00 0.00 0.00 23.12 20.18 3hov s ALA 671 CO 0.07 0.40 0.66 -3.47 0.00 0.00 0.00 175.76 173.42 3hov n ASP 672 N 0.82 -0.47 -0.13 0.00 2.03 -1.26 -4.66 116.55 112.88 3hov n ASP 672 Ca -0.04 1.10 -0.03 0.00 0.52 0.00 0.00 54.79 56.33 3hov n ASP 672 Cb 0.51 -1.08 -0.03 0.00 -0.72 0.00 0.00 41.12 39.81 3hov n ASP 672 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3hov n GLY 673 N 1.74 -2.64 0.24 0.27 0.00 -1.26 -1.03 105.19 102.51 3hov n GLY 673 Ca 0.14 0.71 -0.10 0.00 0.00 0.00 0.00 46.02 46.77 3hov n GLY 673 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hov h PRO 674 N 0.00 0.80 0.00 1.61 0.13 -2.00 -1.71 132.00 130.84 3hov h PRO 674 Ca 0.05 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 3hov h PRO 674 Cb 0.12 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.17 3hov h PRO 674 CO -0.28 0.83 0.19 2.41 -0.23 0.00 0.00 178.00 180.92 3hov n THR 675 N -4.40 0.80 -0.03 1.56 -1.04 -0.81 0.34 114.28 110.70 3hov n THR 675 Ca 0.01 0.73 -0.01 0.00 -2.04 0.00 0.00 64.05 62.73 3hov n THR 675 Cb 0.28 -1.73 -0.00 0.00 -1.82 0.00 0.00 70.33 67.06 3hov n THR 675 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 3hov h MET 676 N 0.00 0.00 -0.84 -2.82 2.86 -0.15 -3.08 114.93 110.89 3hov h MET 676 Ca 0.00 0.00 0.17 0.00 -2.06 0.00 0.00 59.70 57.81 3hov h MET 676 Cb 0.39 0.00 -0.16 0.00 0.06 0.00 0.00 31.60 31.89 3hov h MET 676 CO 0.00 0.00 -0.22 -0.09 1.06 0.00 0.00 176.91 177.66 3hov h ARG 677 N -0.52 -0.01 -0.95 1.72 1.12 -0.84 1.65 114.38 116.55 3hov h ARG 677 Ca 0.00 0.00 0.24 0.00 -1.11 0.00 0.00 59.98 59.11 3hov h ARG 677 Cb 0.11 0.00 -0.06 0.00 -0.01 0.00 0.00 29.97 30.01 3hov h ARG 677 CO 0.00 -0.00 0.64 1.49 -3.11 0.00 0.00 179.97 178.99 3hov h GLU 678 N -0.01 0.26 0.05 0.20 4.81 -0.26 0.12 114.58 119.75 3hov h GLU 678 Ca 0.40 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.48 3hov h GLU 678 Cb 0.62 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.95 3hov h GLU 678 CO -0.87 0.17 -0.56 0.82 -0.73 0.00 0.00 179.01 177.84 3hov h ILE 679 N 0.27 1.52 -0.95 2.32 2.04 0.24 -2.83 117.51 120.12 3hov h ILE 679 Ca 0.49 -2.25 0.18 0.00 1.00 0.00 0.00 64.86 64.28 3hov h ILE 679 Cb 1.45 2.93 -0.08 0.00 -0.74 0.00 0.00 36.82 40.38 3hov h ILE 679 CO -0.15 0.64 0.60 0.74 0.00 0.00 0.00 178.15 179.98 3hov h THR 680 N -0.36 0.74 0.01 -0.27 2.02 0.99 0.96 112.91 117.00 3hov h THR 680 Ca -0.09 -0.22 -0.24 0.00 0.77 0.00 0.00 66.41 66.63 3hov h THR 680 Cb 1.35 0.04 0.01 0.00 -1.74 0.00 0.00 68.15 67.81 3hov h THR 680 CO 0.11 0.12 -0.99 1.05 0.37 0.00 0.00 175.52 176.17 3hov h GLU 681 N 0.64 0.50 -0.15 6.66 4.11 -1.36 -1.05 114.58 123.93 3hov h GLU 681 Ca 0.51 -0.55 0.04 0.00 0.07 0.00 0.00 59.36 59.43 3hov h GLU 681 Cb 0.93 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 3hov h GLU 681 CO -0.26 1.18 0.11 1.15 0.07 0.00 0.00 179.01 181.26 3hov h THR 682 N 0.27 0.91 0.32 -1.06 2.02 -0.61 0.34 112.91 115.11 3hov h THR 682 Ca -0.10 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 3hov h THR 682 Cb 1.64 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.97 3hov h THR 682 CO 0.18 0.00 -0.16 0.40 0.37 0.00 0.00 175.52 176.31 3hov h ILE 683 N 0.00 0.00 -0.68 3.11 2.04 -1.03 -3.19 117.51 117.76 3hov h ILE 683 Ca 0.07 -0.62 0.08 0.00 1.00 0.00 0.00 64.86 65.38 3hov h ILE 683 Cb 0.28 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.25 3hov h ILE 683 CO -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 178.15 177.62 3hov h ALA 684 N -1.18 -0.53 -0.77 1.87 0.00 -0.10 0.14 119.26 118.70 3hov h ALA 684 Ca -0.04 0.08 0.15 0.00 0.00 0.00 0.00 54.91 55.10 3hov h ALA 684 Cb 0.33 1.16 -0.10 0.00 0.00 0.00 0.00 17.79 19.18 3hov h ALA 684 CO 0.07 -0.94 0.31 1.05 0.00 0.00 0.00 179.25 179.74 3hov h GLU 685 N -0.20 0.43 0.00 0.00 4.11 -0.52 0.82 114.58 119.23 3hov h GLU 685 Ca 0.15 -0.03 -0.05 0.00 0.07 0.00 0.00 59.36 59.50 3hov h GLU 685 Cb 0.53 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3hov h GLU 685 CO -0.76 0.29 -0.23 0.00 0.07 0.00 0.00 179.01 178.38 3hov h ALA 686 N 1.56 1.12 -0.55 1.06 0.00 -1.15 0.19 119.26 121.50 3hov h ALA 686 Ca 0.43 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 3hov h ALA 686 Cb 0.66 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3hov h ALA 686 CO -0.41 0.28 -0.04 0.87 0.00 0.00 0.00 179.25 179.95 3hov h LYS 687 N 0.00 0.97 0.03 0.00 1.57 0.33 -2.54 116.57 116.93 3hov h LYS 687 Ca -0.00 -0.31 -0.00 0.00 -1.87 0.00 0.00 60.65 58.47 3hov h LYS 687 Cb 0.64 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3hov h LYS 687 CO 0.03 0.97 -0.01 -0.22 -0.57 0.00 0.00 179.45 179.65 3hov h LYS 688 N 0.88 -0.04 -0.46 3.15 1.63 -0.42 -1.41 116.57 119.90 3hov h LYS 688 Ca 0.15 0.00 0.13 0.00 -0.85 0.00 0.00 60.65 60.09 3hov h LYS 688 Cb 0.56 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.18 3hov h LYS 688 CO 0.03 0.62 0.82 -0.22 -3.45 0.00 0.00 179.45 177.25 3hov h LYS 689 N -0.77 0.00 0.04 1.90 3.64 -0.57 0.56 116.57 121.38 3hov h LYS 689 Ca -0.00 0.00 -0.38 0.00 -1.27 0.00 0.00 60.65 59.00 3hov h LYS 689 Cb 0.68 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.45 3hov h LYS 689 CO 0.01 0.00 -2.21 1.55 -2.27 0.00 0.00 179.45 176.53 3hov n VAL 690 N -3.13 1.59 -0.14 2.00 3.14 -0.96 -3.74 118.33 117.08 3hov n VAL 690 Ca 0.10 -0.51 -0.05 0.00 -2.96 0.00 0.00 64.34 60.91 3hov n VAL 690 Cb 0.98 -1.66 0.01 0.00 -1.06 0.00 0.00 33.84 32.11 3hov n VAL 690 CO 0.00 0.00 0.00 0.25 -6.46 0.00 0.00 176.83 170.62 3hov h LEU 691 N -0.24 -0.85 0.65 6.55 5.85 0.12 -0.67 115.31 126.72 3hov h LEU 691 Ca -0.53 0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.35 3hov h LEU 691 Cb 1.83 0.44 -0.01 0.00 0.37 0.00 0.00 40.66 43.30 3hov h LEU 691 CO -0.10 -0.27 -0.45 0.44 -0.34 0.00 0.00 178.44 177.72 3hov h ASP 692 N -0.15 -1.18 -0.17 1.25 3.32 -1.31 -1.17 116.42 117.02 3hov h ASP 692 Ca 0.21 0.07 0.05 0.00 0.02 0.00 0.00 57.03 57.38 3hov h ASP 692 Cb 0.49 0.36 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 3hov h ASP 692 CO -0.55 -0.67 0.64 0.58 -1.72 0.00 0.00 179.24 177.52 3hov h VAL 693 N -1.05 0.06 0.04 -1.35 2.07 -1.52 0.56 116.25 115.04 3hov h VAL 693 Ca -0.09 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.35 3hov h VAL 693 Cb 0.86 0.40 0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3hov h VAL 693 CO 0.05 0.00 -0.33 0.74 0.02 0.00 0.00 177.57 178.05 3hov h THR 694 N 0.00 1.61 -0.41 2.57 2.02 0.08 -2.93 112.91 115.85 3hov h THR 694 Ca 0.08 -2.24 -0.15 0.00 0.77 0.00 0.00 66.41 64.88 3hov h THR 694 Cb 1.36 3.08 -0.01 0.00 -1.74 0.00 0.00 68.15 70.84 3hov h THR 694 CO -0.00 0.61 -0.32 0.11 0.37 0.00 0.00 175.52 176.29 3hov h LYS 695 N -0.61 0.94 0.00 6.66 1.57 0.59 -1.97 116.57 123.74 3hov h LYS 695 Ca -0.05 -0.46 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 3hov h LYS 695 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 3hov h LYS 695 CO 0.06 1.12 0.00 1.49 -0.57 0.00 0.00 179.45 181.55 3hov h GLU 696 N 0.76 0.00 0.00 3.15 4.81 -0.61 0.26 114.58 122.95 3hov h GLU 696 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3hov h GLU 696 Cb 0.91 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.29 3hov h GLU 696 CO 0.08 0.00 -1.23 0.00 -0.73 0.00 0.00 179.01 177.14 3hov n ALA 697 N -1.92 4.22 0.96 2.92 0.00 -0.84 -2.65 120.51 123.20 3hov n ALA 697 Ca -0.02 -0.57 0.11 0.00 0.00 0.00 0.00 53.44 52.96 3hov n ALA 697 Cb 0.05 -0.78 0.11 0.00 0.00 0.00 0.00 19.45 18.83 3hov n ALA 697 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3hov n GLN 698 N -1.70 0.02 -0.03 0.00 6.02 0.88 -3.75 117.38 118.83 3hov n GLN 698 Ca 0.02 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.12 3hov n GLN 698 Cb 0.39 -1.51 0.11 0.00 1.02 0.00 0.00 30.24 30.25 3hov n GLN 698 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hov n ALA 699 N -1.53 2.45 -2.53 -1.58 0.00 -0.91 -4.96 120.51 111.46 3hov n ALA 699 Ca 0.05 -0.72 -0.11 0.00 0.00 0.00 0.00 53.44 52.65 3hov n ALA 699 Cb 0.34 -0.78 0.01 0.00 0.00 0.00 0.00 19.45 19.03 3hov n ALA 699 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hov n ASN 700 N 1.30 -3.73 -1.95 0.00 5.15 -1.25 -4.95 115.26 109.84 3hov n ASN 700 Ca 0.14 -0.11 -0.23 0.00 -0.60 0.00 0.00 54.58 53.78 3hov n ASN 700 Cb 0.57 -2.71 0.12 0.00 -0.53 0.00 0.00 39.78 37.23 3hov n ASN 700 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3hov n LEU 701 N -1.97 6.08 -4.41 1.20 4.77 -1.09 -4.98 117.00 116.61 3hov n LEU 701 Ca -0.07 -4.09 -0.32 0.00 -0.03 0.00 0.00 56.01 51.49 3hov n LEU 701 Cb 0.57 -0.75 -0.14 0.00 -2.33 0.00 0.00 43.42 40.77 3hov n LEU 701 CO 0.21 1.44 -0.49 -0.76 -1.33 0.00 0.00 177.39 176.46 3hov s LEU 702 N -3.52 2.54 -0.65 2.23 1.43 -1.25 -4.90 118.68 114.54 3hov s LEU 702 Ca 0.55 -0.30 -0.20 0.00 -1.03 0.00 0.00 54.13 53.15 3hov s LEU 702 Cb 0.46 -1.50 0.09 0.00 0.03 0.00 0.00 46.19 45.27 3hov s LEU 702 CO 0.03 0.30 0.85 -0.89 0.23 0.00 0.00 176.35 176.87 3hov s THR 703 N -0.48 4.62 -0.31 5.49 2.01 -1.26 -4.98 115.64 120.72 3hov s THR 703 Ca 0.06 -0.81 -0.37 0.00 0.31 0.00 0.00 61.69 60.89 3hov s THR 703 Cb -0.12 -4.60 -0.13 0.00 0.01 0.00 0.00 72.50 67.67 3hov s THR 703 CO 0.01 -1.30 2.05 0.00 -0.69 0.00 0.00 174.62 174.70 3hov n ALA 704 N 6.89 0.73 -1.77 7.40 0.00 -1.26 -4.83 120.51 127.67 3hov n ALA 704 Ca -0.04 0.09 -0.42 0.00 0.00 0.00 0.00 53.44 53.07 3hov n ALA 704 Cb 0.44 -2.45 -0.03 0.00 0.00 0.00 0.00 19.45 17.42 3hov n ALA 704 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3hov s LYS 705 N 5.37 4.15 -0.07 0.00 1.02 -1.26 -4.80 119.74 124.16 3hov s LYS 705 Ca 1.06 2.51 -0.15 0.00 0.02 0.00 0.00 55.97 59.40 3hov s LYS 705 Cb -0.92 -3.81 -0.07 0.00 -0.52 0.00 0.00 37.83 32.52 3hov s LYS 705 CO 0.54 -0.86 0.45 1.58 -0.92 0.00 0.00 175.35 176.15 3hov n HIS 706 N 6.37 0.38 -0.97 3.18 -0.00 -1.26 -0.19 115.22 122.74 3hov n HIS 706 Ca 0.18 0.39 0.00 0.00 -0.00 0.00 0.00 57.72 58.29 3hov n HIS 706 Cb 0.40 -0.77 0.00 0.00 -0.00 0.00 0.00 29.99 29.62 3hov n HIS 706 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3hov n GLY 707 N 0.88 0.87 3.34 1.57 0.00 -1.26 -5.01 105.19 105.57 3hov n GLY 707 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 3hov n GLY 707 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hov s MET 708 N -0.08 1.30 1.06 1.61 1.00 0.74 -5.08 119.30 119.85 3hov s MET 708 Ca 0.00 -1.47 -0.18 0.00 0.00 0.00 0.00 55.69 54.04 3hov s MET 708 Cb 0.00 -1.27 0.25 0.00 0.00 0.00 0.00 34.83 33.81 3hov s MET 708 CO 0.00 0.24 1.27 2.41 0.00 0.00 0.00 175.02 178.94 3hov n THR 709 N 0.05 0.00 0.11 2.05 -1.04 -1.26 -4.36 114.28 109.82 3hov n THR 709 Ca -0.11 -0.84 -0.22 0.00 -2.04 0.00 0.00 64.05 60.85 3hov n THR 709 Cb 0.58 -1.43 -0.13 0.00 -1.82 0.00 0.00 70.33 67.53 3hov n THR 709 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3hov h LEU 710 N 0.00 0.80 0.27 -4.42 4.07 -1.96 -0.21 115.31 113.86 3hov h LEU 710 Ca -0.43 -0.78 -0.01 0.00 0.08 0.00 0.00 57.88 56.74 3hov h LEU 710 Cb 1.22 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.70 3hov h LEU 710 CO 0.30 1.59 -0.13 0.03 -1.08 0.00 0.00 178.44 179.14 3hov h ARG 711 N 0.22 -0.35 0.40 1.13 3.08 -1.98 0.48 114.38 117.36 3hov h ARG 711 Ca -0.19 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 3hov h ARG 711 Cb 1.97 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 32.08 3hov h ARG 711 CO 0.24 -0.09 -0.43 0.93 -1.07 0.00 0.00 179.97 179.55 3hov h GLU 712 N -0.58 -0.81 -0.08 0.04 5.08 -1.92 0.49 114.58 116.81 3hov h GLU 712 Ca -0.04 0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3hov h GLU 712 Cb 0.42 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 3hov h GLU 712 CO 0.06 -0.54 0.34 0.77 -1.00 0.00 0.00 179.01 178.64 3hov h SER 713 N -0.84 0.00 0.37 1.42 0.02 -0.99 -2.24 113.55 111.28 3hov h SER 713 Ca -0.05 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 3hov h SER 713 Cb 0.74 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.28 3hov h SER 713 CO -0.07 0.00 -0.18 0.15 -1.14 0.00 0.00 176.83 175.59 3hov h PHE 714 N 0.00 -0.45 -0.16 3.45 3.57 0.22 -3.23 116.94 120.33 3hov h PHE 714 Ca 0.04 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.56 3hov h PHE 714 Cb 0.71 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.56 3hov h PHE 714 CO 0.00 -0.28 -0.09 0.93 -2.23 0.00 0.00 178.31 176.64 3hov h GLU 715 N -0.97 -0.07 -0.90 1.11 4.39 -0.95 -1.44 114.58 115.74 3hov h GLU 715 Ca -0.05 0.00 0.18 0.00 0.34 0.00 0.00 59.36 59.83 3hov h GLU 715 Cb 0.38 0.02 -0.17 0.00 -0.10 0.00 0.00 28.75 28.87 3hov h GLU 715 CO 0.08 -0.05 -0.24 -3.47 -1.16 0.00 0.00 179.01 174.18 3hov n ASP 716 N -5.23 -0.35 -0.09 1.42 -0.08 -0.88 0.14 116.55 111.48 3hov n ASP 716 Ca -0.03 1.55 -0.15 0.00 -1.51 0.00 0.00 54.79 54.66 3hov n ASP 716 Cb 0.16 -0.46 -0.04 0.00 2.34 0.00 0.00 41.12 43.12 3hov n ASP 716 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 3hov h ASN 717 N 0.00 0.97 0.07 1.67 2.35 -1.45 -2.78 115.58 116.40 3hov h ASN 717 Ca 0.42 -0.52 -0.00 0.00 -0.55 0.00 0.00 56.30 55.66 3hov h ASN 717 Cb 0.65 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 3hov h ASN 717 CO -0.93 1.30 -0.09 0.58 -1.65 0.00 0.00 177.43 176.64 3hov h VAL 718 N 0.67 0.00 -0.78 2.81 2.07 0.23 -2.76 116.25 118.49 3hov h VAL 718 Ca 0.03 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.70 3hov h VAL 718 Cb 1.10 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.77 3hov h VAL 718 CO 0.11 0.00 0.32 0.58 0.02 0.00 0.00 177.57 178.60 3hov h VAL 719 N -0.17 0.64 0.00 2.57 2.07 -0.76 0.42 116.25 121.03 3hov h VAL 719 Ca -0.01 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3hov h VAL 719 Cb 0.15 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 3hov h VAL 719 CO -0.02 0.08 0.00 -1.14 0.02 0.00 0.00 177.57 176.51 3hov n ARG 720 N -5.00 0.12 -0.09 1.57 0.63 -1.05 -1.34 116.66 111.51 3hov n ARG 720 Ca 0.15 0.61 -0.17 0.00 -0.92 0.00 0.00 57.85 57.52 3hov n ARG 720 Cb 0.44 -1.90 -0.12 0.00 0.45 0.00 0.00 32.46 31.34 3hov n ARG 720 CO 0.00 0.00 0.00 0.74 -2.51 0.00 0.00 177.63 175.86 3hov h PHE 721 N 0.00 0.00 -0.52 -0.14 0.05 0.13 -2.80 116.94 113.66 3hov h PHE 721 Ca 0.00 0.00 -0.08 0.00 3.82 0.00 0.00 57.97 61.71 3hov h PHE 721 Cb 0.01 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 37.94 3hov h PHE 721 CO 0.00 1.20 0.00 -0.07 -0.18 0.00 0.00 178.31 179.26 3hov h LEU 722 N -1.00 0.85 0.22 1.54 4.07 -1.14 0.13 115.31 119.98 3hov h LEU 722 Ca -0.18 -0.22 -0.01 0.00 0.08 0.00 0.00 57.88 57.56 3hov h LEU 722 Cb 1.12 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.63 3hov h LEU 722 CO -0.11 0.92 -0.11 0.78 -1.08 0.00 0.00 178.44 178.84 3hov h ASN 723 N 0.82 -0.25 -1.12 -0.43 2.35 -1.39 -0.21 115.58 115.35 3hov h ASN 723 Ca 0.15 -0.25 0.33 0.00 -0.55 0.00 0.00 56.30 55.99 3hov h ASN 723 Cb 0.49 0.06 -0.12 0.00 0.05 0.00 0.00 38.32 38.80 3hov h ASN 723 CO 0.02 0.27 0.70 -0.08 -1.65 0.00 0.00 177.43 176.69 3hov h GLU 724 N -0.93 0.27 0.06 0.81 4.81 -1.46 -0.80 114.58 117.34 3hov h GLU 724 Ca -0.03 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3hov h GLU 724 Cb 0.48 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.80 3hov h GLU 724 CO 0.05 0.18 -0.03 0.00 -0.73 0.00 0.00 179.01 178.48 3hov h ALA 725 N 1.68 -0.74 -0.99 2.92 0.00 -0.59 -3.12 119.26 118.41 3hov h ALA 725 Ca 0.71 -0.02 0.32 0.00 0.00 0.00 0.00 54.91 55.92 3hov h ALA 725 Cb 1.89 0.03 -0.18 0.00 0.00 0.00 0.00 17.79 19.53 3hov h ALA 725 CO -0.42 -0.73 0.20 -0.09 0.00 0.00 0.00 179.25 178.21 3hov h ARG 726 N -0.10 0.01 -0.89 0.00 2.43 -0.03 0.42 114.38 116.22 3hov h ARG 726 Ca -0.01 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3hov h ARG 726 Cb 0.06 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 3hov h ARG 726 CO 0.01 0.01 0.56 -0.44 -1.51 0.00 0.00 179.97 178.60 3hov h ASP 727 N 0.01 1.06 -0.08 -3.80 5.19 -1.27 0.82 116.42 118.35 3hov h ASP 727 Ca 0.68 -0.05 -0.05 0.00 -0.62 0.00 0.00 57.03 56.99 3hov h ASP 727 Cb 1.57 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 40.81 3hov h ASP 727 CO -0.87 0.79 -0.16 0.50 -3.12 0.00 0.00 179.24 176.38 3hov h LYS 728 N 1.22 0.26 -1.02 3.56 3.64 -0.13 0.76 116.57 124.86 3hov h LYS 728 Ca 0.32 -0.16 0.25 0.00 -1.27 0.00 0.00 60.65 59.79 3hov h LYS 728 Cb -0.08 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 31.66 3hov h LYS 728 CO -0.06 0.75 0.65 0.00 -2.27 0.00 0.00 179.45 178.51 3hov h ALA 729 N 0.51 2.11 0.08 5.00 0.00 -0.88 0.28 119.26 126.36 3hov h ALA 729 Ca 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hov h ALA 729 Cb 0.74 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3hov h ALA 729 CO 0.04 -0.51 -0.04 0.78 0.00 0.00 0.00 179.25 179.52 3hov h GLY 730 N 0.46 -0.11 -0.69 0.00 0.00 -0.52 -3.05 103.07 99.16 3hov h GLY 730 Ca 0.58 0.04 0.35 0.00 0.00 0.00 0.00 47.33 48.30 3hov h GLY 730 CO -0.31 -0.04 1.01 3.21 0.00 0.00 0.00 176.54 180.41 3hov h ARG 731 N -0.18 0.00 0.92 4.80 3.08 -0.20 0.24 114.38 123.04 3hov h ARG 731 Ca -0.01 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 3hov h ARG 731 Cb 0.08 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.14 3hov h ARG 731 CO 0.02 0.00 -0.44 -0.07 -1.07 0.00 0.00 179.97 178.41 3hov h LEU 732 N 0.00 -1.05 -1.14 3.04 3.38 -0.46 -2.11 115.31 116.97 3hov h LEU 732 Ca 0.57 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.54 3hov h LEU 732 Cb 2.58 0.27 -0.03 0.00 0.09 0.00 0.00 40.66 43.57 3hov h LEU 732 CO -0.01 -0.72 0.24 0.00 0.09 0.00 0.00 178.44 178.04 3hov h ALA 733 N -1.38 1.32 -0.66 1.53 0.00 -0.53 -1.66 119.26 117.88 3hov h ALA 733 Ca -0.13 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 54.72 3hov h ALA 733 Cb 0.95 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 3hov h ALA 733 CO 0.21 0.51 0.44 1.49 0.00 0.00 0.00 179.25 181.90 3hov h GLU 734 N 0.84 0.53 0.00 0.00 4.81 -0.83 -0.80 114.58 119.12 3hov h GLU 734 Ca 0.20 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.29 3hov h GLU 734 Cb 0.16 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 3hov h GLU 734 CO -0.02 0.35 -1.08 0.28 -0.73 0.00 0.00 179.01 177.81 3hov h VAL 735 N 0.55 0.40 0.00 0.32 2.07 -0.89 -3.27 116.25 115.43 3hov h VAL 735 Ca 0.30 -1.72 0.00 0.00 0.82 0.00 0.00 66.70 66.10 3hov h VAL 735 Cb 0.46 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 3hov h VAL 735 CO -0.10 0.23 0.00 -3.20 0.02 0.00 0.00 177.57 174.52 3hov n ASN 736 N -2.90 0.22 -4.60 0.57 2.85 -0.42 -4.66 115.26 106.31 3hov n ASN 736 Ca -0.05 0.53 -0.43 0.00 -0.11 0.00 0.00 54.58 54.52 3hov n ASN 736 Cb 0.73 -0.58 -0.03 0.00 1.24 0.00 0.00 39.78 41.14 3hov n ASN 736 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3hov s LEU 737 N -3.42 3.90 1.26 1.20 1.43 -0.54 -4.81 118.68 117.70 3hov s LEU 737 Ca 0.12 0.48 -0.18 0.00 -1.03 0.00 0.00 54.13 53.52 3hov s LEU 737 Cb 0.16 -3.35 0.31 0.00 0.03 0.00 0.00 46.19 43.34 3hov s LEU 737 CO 0.50 -1.01 1.01 -1.59 0.23 0.00 0.00 176.35 175.49 3hov s LYS 738 N 3.82 -1.65 0.26 1.70 0.00 -1.26 -4.90 119.74 117.72 3hov s LYS 738 Ca 0.41 0.38 0.25 0.00 0.00 0.00 0.00 55.97 57.01 3hov s LYS 738 Cb -0.10 -1.51 0.94 0.00 0.00 0.00 0.00 37.83 37.16 3hov s LYS 738 CO 0.24 -4.09 1.75 -0.44 0.00 0.00 0.00 175.35 172.80 3hov h ASP 739 N -2.87 0.00 1.72 0.03 3.32 -1.97 -2.82 116.42 113.84 3hov h ASP 739 Ca -0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.53 3hov h ASP 739 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 3hov h ASP 739 CO 0.41 0.00 0.00 0.17 -1.72 0.00 0.00 179.24 178.10 3hov h LEU 740 N 0.00 0.00 -9.51 1.55 8.10 -2.01 -3.42 115.31 110.01 3hov h LEU 740 Ca 0.00 0.00 -0.54 0.00 0.11 0.00 0.00 57.88 57.45 3hov h LEU 740 Cb 0.50 0.00 0.04 0.00 -0.44 0.00 0.00 40.66 40.77 3hov h LEU 740 CO 0.00 0.00 1.09 -3.20 -4.11 0.00 0.00 178.44 172.22 3hov n ASN 741 N -2.67 3.97 0.06 0.17 5.15 -1.07 -4.90 115.26 115.97 3hov n ASN 741 Ca 0.05 1.00 -0.13 0.00 -0.60 0.00 0.00 54.58 54.89 3hov n ASN 741 Cb 0.48 -1.53 -0.08 0.00 -0.53 0.00 0.00 39.78 38.11 3hov n ASN 741 CO 0.00 0.00 0.00 0.78 1.40 0.00 0.00 177.26 179.44 3hov h ASN 742 N 8.32 -0.11 -0.83 1.20 2.35 -1.87 -0.72 115.58 123.92 3hov h ASN 742 Ca -0.46 -0.17 0.16 0.00 -0.55 0.00 0.00 56.30 55.27 3hov h ASN 742 Cb 1.22 0.03 -0.06 0.00 0.05 0.00 0.00 38.32 39.56 3hov h ASN 742 CO 0.95 0.11 0.55 0.58 -1.65 0.00 0.00 177.43 177.96 3hov h VAL 743 N -0.33 0.79 -0.12 2.81 2.07 -1.86 0.13 116.25 119.74 3hov h VAL 743 Ca -0.01 -0.18 -0.19 0.00 0.82 0.00 0.00 66.70 67.14 3hov h VAL 743 Cb 0.27 0.22 0.01 0.00 -1.52 0.00 0.00 31.29 30.27 3hov h VAL 743 CO 0.02 0.10 -0.67 0.50 0.02 0.00 0.00 177.57 177.54 3hov h LYS 744 N 0.52 0.66 -0.85 1.57 3.64 -1.86 -2.91 116.57 117.35 3hov h LYS 744 Ca 0.42 -0.55 0.15 0.00 -1.27 0.00 0.00 60.65 59.40 3hov h LYS 744 Cb 0.85 0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 32.73 3hov h LYS 744 CO -0.16 1.17 0.55 1.96 -2.27 0.00 0.00 179.45 180.70 3hov h GLN 745 N 0.32 0.56 -0.18 1.90 4.20 0.54 0.53 115.11 122.99 3hov h GLN 745 Ca -0.05 -0.03 -0.21 0.00 0.06 0.00 0.00 58.65 58.42 3hov h GLN 745 Cb 1.31 -0.13 0.01 0.00 0.30 0.00 0.00 27.48 28.97 3hov h GLN 745 CO 0.14 0.37 -0.72 0.52 -0.67 0.00 0.00 178.83 178.47 3hov h MET 746 N 0.58 0.76 -0.48 1.46 2.86 -1.14 -2.54 114.93 116.43 3hov h MET 746 Ca 0.42 -0.59 -0.08 0.00 -2.06 0.00 0.00 59.70 57.39 3hov h MET 746 Cb 0.79 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.54 3hov h MET 746 CO -0.17 1.20 -0.03 0.28 1.06 0.00 0.00 176.91 179.24 3hov h VAL 747 N 0.54 1.25 0.68 -2.22 2.07 -0.99 -0.22 116.25 117.36 3hov h VAL 747 Ca -0.03 -1.08 -0.03 0.00 0.82 0.00 0.00 66.70 66.38 3hov h VAL 747 Cb 1.33 0.92 0.01 0.00 -1.52 0.00 0.00 31.29 32.02 3hov h VAL 747 CO 0.15 0.38 -0.33 0.24 0.02 0.00 0.00 177.57 178.03 3hov h MET 748 N 0.76 -0.88 -0.65 1.57 2.07 -0.89 -2.74 114.93 114.17 3hov h MET 748 Ca 0.14 0.06 0.06 0.00 -2.07 0.00 0.00 59.70 57.89 3hov h MET 748 Cb 0.51 0.20 -0.06 0.00 -1.87 0.00 0.00 31.60 30.38 3hov h MET 748 CO 0.03 -0.58 0.35 0.00 1.07 0.00 0.00 176.91 177.78 3hov h ALA 749 N -0.65 0.87 0.00 6.32 0.00 -1.39 -3.45 119.26 120.95 3hov h ALA 749 Ca -0.09 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3hov h ALA 749 Cb 0.71 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3hov h ALA 749 CO 0.15 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.82 3hov n GLY 750 N -1.28 1.09 0.17 0.00 0.00 -0.13 -2.33 105.19 102.70 3hov n GLY 750 Ca 0.08 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.17 3hov n GLY 750 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hov h SER 751 N 0.00 0.00 -3.80 1.61 4.64 -1.73 -3.48 113.55 110.79 3hov h SER 751 Ca 0.00 0.00 0.20 0.00 -0.47 0.00 0.00 61.79 61.52 3hov h SER 751 Cb 0.00 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 61.86 3hov h SER 751 CO 0.00 0.24 0.78 -0.54 -0.87 0.00 0.00 176.83 176.44 3hov s LYS 752 N -3.11 0.31 0.35 4.77 -0.14 -1.23 -4.55 119.74 116.15 3hov s LYS 752 Ca 0.04 0.00 0.00 0.00 -1.36 0.00 0.00 55.97 54.65 3hov s LYS 752 Cb 0.07 0.14 0.00 0.00 -1.68 0.00 0.00 37.83 36.36 3hov s LYS 752 CO 0.72 -0.11 0.00 0.41 -0.76 0.00 0.00 175.35 175.61 3hov n GLY 753 N 0.36 -2.53 1.34 -3.33 0.00 -1.26 -3.31 105.19 96.47 3hov n GLY 753 Ca -0.03 -1.21 -0.04 0.00 0.00 0.00 0.00 46.02 44.74 3hov n GLY 753 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hov n SER 754 N -3.77 -0.78 0.00 1.61 3.41 -1.26 -4.63 113.62 108.21 3hov n SER 754 Ca -0.03 -1.60 0.00 0.00 -0.26 0.00 0.00 58.87 56.98 3hov n SER 754 Cb 0.48 1.31 0.00 0.00 -0.26 0.00 0.00 64.21 65.74 3hov n SER 754 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3hov n PHE 755 N -0.20 0.00 -0.25 7.33 7.35 -1.26 -1.64 117.46 128.80 3hov n PHE 755 Ca -0.03 0.00 0.31 0.00 -0.76 0.00 0.00 57.45 56.98 3hov n PHE 755 Cb 0.22 -0.04 0.57 0.00 0.35 0.00 0.00 39.48 40.58 3hov n PHE 755 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 3hov h ILE 756 N 0.00 0.09 0.54 -2.13 1.08 -1.99 0.38 117.51 115.49 3hov h ILE 756 Ca 0.00 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.44 3hov h ILE 756 Cb 0.00 0.14 0.01 0.00 -3.07 0.00 0.00 36.82 33.90 3hov h ILE 756 CO 0.00 0.00 -0.26 0.78 -0.69 0.00 0.00 178.15 177.98 3hov h ASN 757 N 0.00 -0.61 0.07 1.72 2.35 -1.72 0.06 115.58 117.44 3hov h ASN 757 Ca 0.52 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 56.22 3hov h ASN 757 Cb 2.70 0.16 -0.00 0.00 0.05 0.00 0.00 38.32 41.23 3hov h ASN 757 CO -0.01 -0.33 -0.05 0.40 -1.65 0.00 0.00 177.43 175.79 3hov h ILE 758 N -0.88 0.95 0.70 2.81 2.04 -0.15 -2.21 117.51 120.78 3hov h ILE 758 Ca -0.07 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 3hov h ILE 758 Cb 0.61 1.11 0.01 0.00 -0.74 0.00 0.00 36.82 37.80 3hov h ILE 758 CO 0.12 0.05 -0.34 0.00 0.00 0.00 0.00 178.15 177.99 3hov h ALA 759 N 1.95 -0.94 0.00 1.87 0.00 -0.82 -1.72 119.26 119.59 3hov h ALA 759 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3hov h ALA 759 Cb 0.10 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3hov h ALA 759 CO 0.01 -0.91 0.00 1.04 0.00 0.00 0.00 179.25 179.39 3hov n GLN 760 N -5.42 0.08 -0.00 0.00 6.02 -0.04 -0.26 117.38 117.75 3hov n GLN 760 Ca -0.12 0.30 -0.22 0.00 -0.01 0.00 0.00 57.00 56.94 3hov n GLN 760 Cb 0.38 -1.64 -0.14 0.00 1.02 0.00 0.00 30.24 29.87 3hov n GLN 760 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 3hov h MET 761 N 0.00 0.24 0.00 -1.09 2.86 -1.34 -0.78 114.93 114.82 3hov h MET 761 Ca 0.00 -0.42 -0.10 0.00 -2.06 0.00 0.00 59.70 57.12 3hov h MET 761 Cb 0.32 0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 3hov h MET 761 CO 0.00 1.20 -1.51 0.43 1.06 0.00 0.00 176.91 178.09 3hov n SER 762 N -3.68 2.97 0.00 1.22 7.64 -0.65 -1.70 113.62 119.42 3hov n SER 762 Ca -0.30 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.58 3hov n SER 762 Cb 0.98 0.93 0.00 0.00 -1.01 0.00 0.00 64.21 65.11 3hov n SER 762 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hov n ALA 763 N -2.15 0.00 -3.67 -0.43 0.00 0.64 -4.69 120.51 110.21 3hov n ALA 763 Ca -0.10 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.23 3hov n ALA 763 Cb 0.60 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.93 3hov n ALA 763 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hov h VAL 765 N 5.54 0.35 0.00 0.00 2.07 -1.14 -3.33 116.25 119.73 3hov h VAL 765 Ca -0.37 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3hov h VAL 765 Cb 1.18 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3hov h VAL 765 CO 0.31 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.51 3hov n GLY 766 N -1.43 0.66 3.60 2.17 0.00 -0.76 -4.76 105.19 104.68 3hov n GLY 766 Ca -0.10 -2.26 -0.41 0.00 0.00 0.00 0.00 46.02 43.25 3hov n GLY 766 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hov s GLN 767 N -0.71 3.92 0.69 1.61 2.00 -1.26 -0.15 119.66 125.76 3hov s GLN 767 Ca 0.00 0.42 -0.13 0.00 -2.00 0.00 0.00 55.36 53.65 3hov s GLN 767 Cb 0.00 -3.73 0.01 0.00 0.80 0.00 0.00 33.01 30.09 3hov s GLN 767 CO 0.00 -0.63 1.09 -0.65 -0.50 0.00 0.00 175.29 174.60 3hov s GLN 768 N 2.77 2.73 0.05 1.67 1.11 0.33 -4.95 119.66 123.38 3hov s GLN 768 Ca 0.28 1.21 -0.27 0.00 0.01 0.00 0.00 55.36 56.60 3hov s GLN 768 Cb -0.15 -1.95 0.08 0.00 -1.01 0.00 0.00 33.01 29.98 3hov s GLN 768 CO 0.12 -1.28 0.69 -1.54 0.01 0.00 0.00 175.29 173.29 3hov s SER 769 N -3.09 -0.56 -0.03 5.90 1.04 -1.26 -4.21 113.70 111.49 3hov s SER 769 Ca 0.63 0.26 0.01 0.00 0.48 0.00 0.00 55.95 57.32 3hov s SER 769 Cb -0.18 0.53 0.02 0.00 0.10 0.00 0.00 66.02 66.50 3hov s SER 769 CO 0.48 -0.76 -0.02 -0.69 0.98 0.00 0.00 173.24 173.23 3hov s VAL 770 N -2.66 0.28 -1.33 5.02 1.01 -0.24 -4.64 120.40 117.85 3hov s VAL 770 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 61.98 61.88 3hov s VAL 770 Cb -0.01 -0.34 0.05 0.00 0.00 0.00 0.00 36.38 36.08 3hov s VAL 770 CO -0.04 0.16 0.48 -0.62 0.00 0.00 0.00 175.10 175.08 3hov n GLU 771 N 3.97 -3.68 0.00 2.72 1.02 -1.26 -2.51 120.64 120.90 3hov n GLU 771 Ca -0.25 0.59 0.00 0.00 -0.02 0.00 0.00 57.16 57.48 3hov n GLU 771 Cb 0.51 -5.33 0.00 0.00 -0.02 0.00 0.00 31.44 26.60 3hov n GLU 771 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hov n GLY 772 N -1.23 2.14 3.74 0.62 0.00 -1.26 -5.00 105.19 104.20 3hov n GLY 772 Ca -0.05 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 3hov n GLY 772 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hov s LYS 773 N 0.00 2.67 1.15 1.61 3.01 -1.04 -4.91 119.74 122.23 3hov s LYS 773 Ca 0.00 2.04 -0.16 0.00 -1.01 0.00 0.00 55.97 56.84 3hov s LYS 773 Cb 0.00 -1.89 0.26 0.00 -1.01 0.00 0.00 37.83 35.19 3hov s LYS 773 CO 0.00 -1.50 1.06 -0.98 0.51 0.00 0.00 175.35 174.44 3hov s ARG 774 N -3.33 -0.81 0.13 1.68 1.70 -1.26 -1.07 118.95 115.98 3hov s ARG 774 Ca 0.81 0.37 -0.35 0.00 -0.47 0.00 0.00 55.73 56.09 3hov s ARG 774 Cb -0.37 -1.61 -0.16 0.00 -0.57 0.00 0.00 34.95 32.25 3hov s ARG 774 CO 0.39 -3.53 1.26 -0.89 -1.08 0.00 0.00 175.30 171.46 3hov n ILE 775 N -4.71 0.40 -1.68 4.99 2.08 0.19 -4.61 119.36 116.02 3hov n ILE 775 Ca 0.07 -0.10 -0.18 0.00 0.56 0.00 0.00 62.75 63.10 3hov n ILE 775 Cb 0.58 -0.84 0.12 0.00 -0.75 0.00 0.00 39.64 38.75 3hov n ILE 775 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3hov n ALA 776 N 2.07 -0.86 -3.38 -1.39 0.00 -1.26 -4.70 120.51 110.99 3hov n ALA 776 Ca 0.17 -1.12 -0.43 0.00 0.00 0.00 0.00 53.44 52.06 3hov n ALA 776 Cb 0.22 -0.03 -0.01 0.00 0.00 0.00 0.00 19.45 19.63 3hov n ALA 776 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3hov n PHE 777 N -3.08 4.87 0.18 0.00 0.99 -1.26 -4.24 117.46 114.92 3hov n PHE 777 Ca 0.11 -3.88 0.02 0.00 -0.00 0.00 0.00 57.45 53.70 3hov n PHE 777 Cb 0.37 -1.55 0.33 0.00 -1.00 0.00 0.00 39.48 37.63 3hov n PHE 777 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 3hov h GLY 778 N 6.40 0.00 -5.22 1.37 0.00 -1.81 -3.41 103.07 100.40 3hov h GLY 778 Ca 0.18 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.88 3hov h GLY 778 CO 1.00 0.00 -0.30 -1.36 0.00 0.00 0.00 176.54 175.88 3hov s PHE 779 N -4.07 3.68 -0.52 5.60 2.99 -1.15 -4.97 117.98 119.53 3hov s PHE 779 Ca -0.02 0.82 -0.39 0.00 0.00 0.00 0.00 56.93 57.33 3hov s PHE 779 Cb 0.14 -2.16 -0.17 0.00 0.00 0.00 0.00 43.02 40.83 3hov s PHE 779 CO 0.73 0.68 2.24 0.28 -0.00 0.00 0.00 175.22 179.14 3hov n VAL 780 N 1.85 0.05 -2.75 -0.44 0.31 -1.26 -1.34 118.33 114.74 3hov n VAL 780 Ca -0.16 -0.09 -0.20 0.00 -0.01 0.00 0.00 64.34 63.88 3hov n VAL 780 Cb 0.53 -0.88 0.01 0.00 -0.91 0.00 0.00 33.84 32.59 3hov n VAL 780 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3hov n ASP 781 N 8.78 -5.26 -3.51 4.52 8.00 -1.26 -4.80 116.55 123.01 3hov n ASP 781 Ca 0.52 -0.11 -0.08 0.00 0.71 0.00 0.00 54.79 55.83 3hov n ASP 781 Cb 0.06 -4.34 -0.02 0.00 -0.02 0.00 0.00 41.12 36.80 3hov n ASP 781 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hov s ARG 782 N -5.40 0.77 0.00 -1.24 1.70 -0.45 0.10 118.95 114.44 3hov s ARG 782 Ca 0.16 -0.26 -0.19 0.00 -0.47 0.00 0.00 55.73 54.96 3hov s ARG 782 Cb -0.07 0.36 -0.27 0.00 -0.57 0.00 0.00 34.95 34.39 3hov s ARG 782 CO 0.19 -0.33 1.04 1.79 -1.08 0.00 0.00 175.30 176.91 3hov h THR 783 N 2.04 1.42 -4.25 4.99 1.35 -1.81 -3.05 112.91 113.60 3hov h THR 783 Ca -0.21 -2.32 -0.34 0.00 -0.55 0.00 0.00 66.41 62.99 3hov h THR 783 Cb 1.23 2.81 -0.14 0.00 -1.73 0.00 0.00 68.15 70.32 3hov h THR 783 CO 0.30 0.68 -0.59 -0.76 -0.25 0.00 0.00 175.52 174.90 3hov s LEU 784 N -8.08 1.48 -0.07 3.87 1.43 -1.26 -4.60 118.68 111.44 3hov s LEU 784 Ca -0.12 -1.48 0.04 0.00 -1.03 0.00 0.00 54.13 51.54 3hov s LEU 784 Cb 0.03 0.26 0.24 0.00 0.03 0.00 0.00 46.19 46.76 3hov s LEU 784 CO 0.85 -0.85 0.89 -0.81 0.23 0.00 0.00 176.35 176.66 3hov n PRO 785 N -0.44 2.14 -0.34 1.29 -0.04 -1.26 -3.06 135.00 133.29 3hov n PRO 785 Ca 0.02 -0.94 0.07 0.00 -0.04 0.00 0.00 63.50 62.61 3hov n PRO 785 Cb 0.65 -1.72 0.23 0.00 -0.04 0.00 0.00 33.50 32.63 3hov n PRO 785 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3hov n HIS 786 N 0.18 0.82 -4.32 0.54 8.25 -1.26 -4.96 115.22 114.47 3hov n HIS 786 Ca 0.09 -0.63 -0.17 0.00 -0.26 0.00 0.00 57.72 56.75 3hov n HIS 786 Cb 0.55 -0.15 -0.10 0.00 1.12 0.00 0.00 29.99 31.41 3hov n HIS 786 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3hov s PHE 787 N -1.67 1.57 0.09 4.41 0.40 -1.17 -5.14 117.98 116.47 3hov s PHE 787 Ca 0.35 -0.69 -0.11 0.00 -0.60 0.00 0.00 56.93 55.89 3hov s PHE 787 Cb 0.23 -0.79 -0.06 0.00 0.51 0.00 0.00 43.02 42.91 3hov s PHE 787 CO 0.16 0.22 0.43 -1.12 0.70 0.00 0.00 175.22 175.61 3hov s SER 788 N -3.28 6.68 0.96 1.36 0.01 -1.26 -4.95 113.70 113.21 3hov s SER 788 Ca 0.22 0.85 -0.14 0.00 1.31 0.00 0.00 55.95 58.19 3hov s SER 788 Cb 0.02 -2.20 -0.02 0.00 0.21 0.00 0.00 66.02 64.02 3hov s SER 788 CO 0.05 0.16 0.03 0.29 0.41 0.00 0.00 173.24 174.18 3hov n LYS 789 N 0.87 -0.19 -4.11 12.44 5.02 -1.26 -3.27 118.16 127.66 3hov n LYS 789 Ca -0.07 -0.03 -0.32 0.00 -2.02 0.00 0.00 58.31 55.87 3hov n LYS 789 Cb 0.52 -1.59 -0.02 0.00 -0.02 0.00 0.00 35.03 33.92 3hov n LYS 789 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3hov n ASP 790 N 0.20 -2.12 -4.56 4.39 9.92 0.28 -4.95 116.55 119.72 3hov n ASP 790 Ca 0.04 -1.01 -0.40 0.00 -0.53 0.00 0.00 54.79 52.90 3hov n ASP 790 Cb 0.54 -2.88 -0.10 0.00 -0.64 0.00 0.00 41.12 38.04 3hov n ASP 790 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3hov s ASP 791 N -3.74 6.12 0.00 -2.24 -1.08 -1.20 -4.93 116.67 109.61 3hov s ASP 791 Ca 0.44 -0.14 0.14 0.00 -0.52 0.00 0.00 52.55 52.47 3hov s ASP 791 Cb -0.24 -2.17 0.21 0.00 -1.46 0.00 0.00 42.92 39.27 3hov s ASP 791 CO 0.91 -0.22 1.09 -1.22 0.52 0.00 0.00 175.17 176.25 3hov n TYR 792 N 5.23 0.21 -1.01 -5.34 4.02 -1.26 -4.77 117.16 114.24 3hov n TYR 792 Ca -0.11 -0.18 -0.33 0.00 -0.01 0.00 0.00 57.90 57.27 3hov n TYR 792 Cb 0.50 -0.01 0.13 0.00 -0.02 0.00 0.00 39.34 39.94 3hov n TYR 792 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3hov n SER 793 N 0.82 0.29 -0.31 7.72 3.41 -1.26 -4.68 113.62 119.61 3hov n SER 793 Ca 0.11 0.53 -0.01 0.00 -0.26 0.00 0.00 58.87 59.24 3hov n SER 793 Cb 0.40 -1.44 0.11 0.00 -0.26 0.00 0.00 64.21 63.03 3hov n SER 793 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3hov h PRO 794 N -1.09 1.00 -0.00 4.33 0.13 -1.96 -1.07 132.00 133.34 3hov h PRO 794 Ca -0.45 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3hov h PRO 794 Cb 1.30 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3hov h PRO 794 CO 0.43 0.66 0.00 0.39 -0.23 0.00 0.00 178.00 179.25 3hov n GLU 795 N -4.58 0.26 0.00 0.86 4.71 -1.26 -1.40 120.64 119.23 3hov n GLU 795 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.26 3hov n GLU 795 Cb 0.11 -1.00 0.00 0.00 -1.01 0.00 0.00 31.44 29.54 3hov n GLU 795 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 3hov n SER 796 N -0.49 1.92 -0.20 1.62 2.88 -0.47 -4.77 113.62 114.12 3hov n SER 796 Ca 0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 3hov n SER 796 Cb 0.00 0.19 0.52 0.00 -0.75 0.00 0.00 64.21 64.17 3hov n SER 796 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3hov n LYS 797 N -1.10 0.84 0.00 -1.46 4.76 -0.80 -4.59 118.16 115.82 3hov n LYS 797 Ca 0.00 -0.40 0.00 0.00 -2.87 0.00 0.00 58.31 55.04 3hov n LYS 797 Cb 0.19 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.89 3hov n LYS 797 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hov n GLY 798 N 1.29 0.96 3.48 0.72 0.00 -1.04 0.54 105.19 111.14 3hov n GLY 798 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 3hov n GLY 798 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hov s PHE 799 N -1.74 3.21 -0.62 1.61 5.36 -0.50 0.12 117.98 125.44 3hov s PHE 799 Ca 0.00 -0.42 -0.22 0.00 -0.96 0.00 0.00 56.93 55.33 3hov s PHE 799 Cb 0.00 -2.43 0.07 0.00 -0.34 0.00 0.00 43.02 40.31 3hov s PHE 799 CO 0.00 -0.43 0.90 0.08 -1.46 0.00 0.00 175.22 174.32 3hov s VAL 800 N 1.67 4.43 0.08 3.12 1.01 0.78 -4.62 120.40 126.88 3hov s VAL 800 Ca 0.05 -0.30 0.21 0.00 0.00 0.00 0.00 61.98 61.94 3hov s VAL 800 Cb -0.17 -4.60 0.18 0.00 0.00 0.00 0.00 36.38 31.78 3hov s VAL 800 CO 0.09 -1.30 1.73 -0.08 0.00 0.00 0.00 175.10 175.54 3hov h GLU 801 N 9.43 0.00 -7.33 2.72 4.81 -1.96 -2.01 114.58 120.24 3hov h GLU 801 Ca -0.28 0.00 -0.50 0.00 -0.13 0.00 0.00 59.36 58.44 3hov h GLU 801 Cb 1.07 0.00 0.06 0.00 0.63 0.00 0.00 28.75 30.51 3hov h GLU 801 CO 1.14 0.31 0.41 -0.80 -0.73 0.00 0.00 179.01 179.33 3hov s ASN 802 N -6.31 6.23 0.47 1.04 0.01 -1.26 -4.56 114.94 110.55 3hov s ASN 802 Ca 0.01 1.46 0.03 0.00 -0.71 0.00 0.00 52.86 53.66 3hov s ASN 802 Cb 0.10 -2.48 0.01 0.00 0.41 0.00 0.00 41.25 39.29 3hov s ASN 802 CO 0.67 -0.87 0.66 -0.94 -1.51 0.00 0.00 177.10 175.11 3hov s SER 803 N -3.95 5.59 0.39 -1.22 1.04 -1.25 -1.01 113.70 113.29 3hov s SER 803 Ca 0.56 -0.06 0.20 0.00 0.48 0.00 0.00 55.95 57.13 3hov s SER 803 Cb -0.11 -1.03 0.76 0.00 0.10 0.00 0.00 66.02 65.74 3hov s SER 803 CO 0.50 -0.85 1.77 1.88 0.98 0.00 0.00 173.24 177.52 3hov h TYR 804 N 0.40 0.00 -0.45 5.02 0.99 -1.08 -0.46 116.97 121.39 3hov h TYR 804 Ca -0.43 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.26 3hov h TYR 804 Cb 1.28 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.99 3hov h TYR 804 CO 0.40 0.34 0.14 1.25 -0.00 0.00 0.00 178.16 180.29 3hov h LEU 805 N 0.00 0.66 -0.00 3.88 7.12 -1.58 -3.23 115.31 122.14 3hov h LEU 805 Ca -0.00 -0.21 -0.15 0.00 0.13 0.00 0.00 57.88 57.65 3hov h LEU 805 Cb 0.83 -0.17 0.01 0.00 -0.53 0.00 0.00 40.66 40.80 3hov h LEU 805 CO 0.04 0.69 -0.57 0.03 -0.13 0.00 0.00 178.44 178.51 3hov h ARG 806 N 0.59 0.39 0.00 1.25 3.08 -1.76 -3.50 114.38 114.42 3hov h ARG 806 Ca 0.14 -0.42 0.00 0.00 0.07 0.00 0.00 59.98 59.78 3hov h ARG 806 Cb 0.27 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3hov h ARG 806 CO -0.00 1.09 0.00 0.41 -1.07 0.00 0.00 179.97 180.39 3hov n GLY 807 N 1.06 1.78 3.70 0.04 0.00 -0.21 -4.98 105.19 106.58 3hov n GLY 807 Ca -0.10 -1.26 -0.34 0.00 0.00 0.00 0.00 46.02 44.32 3hov n GLY 807 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hov s LEU 808 N 0.00 3.18 0.41 0.99 1.02 -1.26 -4.88 118.68 118.13 3hov s LEU 808 Ca 0.00 2.35 0.00 0.00 0.02 0.00 0.00 54.13 56.50 3hov s LEU 808 Cb 0.00 -4.59 -0.02 0.00 0.02 0.00 0.00 46.19 41.61 3hov s LEU 808 CO 0.00 -2.56 0.62 0.42 0.02 0.00 0.00 176.35 174.85 3hov s THR 809 N -2.13 4.51 0.35 5.49 -4.23 -1.26 -4.75 115.64 113.62 3hov s THR 809 Ca 0.73 -0.46 0.15 0.00 -1.18 0.00 0.00 61.69 60.93 3hov s THR 809 Cb -0.28 -3.66 0.34 0.00 1.34 0.00 0.00 72.50 70.24 3hov s THR 809 CO 0.49 -0.45 1.63 -0.65 -0.54 0.00 0.00 174.62 175.10 3hov h PRO 810 N 0.55 0.19 -0.02 3.99 0.11 -1.98 0.71 132.00 135.55 3hov h PRO 810 Ca -0.48 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 3hov h PRO 810 Cb 1.24 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3hov h PRO 810 CO 0.59 0.12 -0.23 1.96 -0.21 0.00 0.00 178.00 180.24 3hov h GLN 811 N 0.19 0.18 -0.79 1.05 7.50 -1.99 -1.98 115.11 119.27 3hov h GLN 811 Ca 0.76 -0.17 0.09 0.00 0.50 0.00 0.00 58.65 59.83 3hov h GLN 811 Cb 1.81 0.04 -0.07 0.00 0.05 0.00 0.00 27.48 29.32 3hov h GLN 811 CO -0.68 0.88 0.44 0.93 -1.50 0.00 0.00 178.83 178.90 3hov h GLU 812 N -0.45 0.72 0.26 1.46 5.08 -1.26 0.91 114.58 121.30 3hov h GLU 812 Ca -0.02 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3hov h GLU 812 Cb 0.94 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.03 3hov h GLU 812 CO 0.05 0.47 -0.13 0.35 -1.00 0.00 0.00 179.01 178.75 3hov h PHE 813 N 0.74 -0.33 0.00 4.33 3.57 0.31 -0.08 116.94 125.48 3hov h PHE 813 Ca 0.38 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.82 3hov h PHE 813 Cb 0.36 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 3hov h PHE 813 CO -0.07 -0.15 -0.27 0.35 -2.23 0.00 0.00 178.31 175.94 3hov h PHE 814 N -0.44 0.00 -0.01 0.41 3.57 -0.88 -1.48 116.94 118.11 3hov h PHE 814 Ca -0.04 0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.28 3hov h PHE 814 Cb 0.33 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.09 3hov h PHE 814 CO -0.04 0.27 -0.70 0.74 -2.23 0.00 0.00 178.31 176.36 3hov h PHE 815 N 0.00 0.73 -0.61 0.41 0.05 -0.68 -2.26 116.94 114.59 3hov h PHE 815 Ca -0.00 -0.39 0.04 0.00 3.82 0.00 0.00 57.97 61.44 3hov h PHE 815 Cb 0.57 -0.09 -0.05 0.00 2.00 0.00 0.00 35.95 38.39 3hov h PHE 815 CO 0.00 1.21 0.34 1.25 -0.18 0.00 0.00 178.31 180.93 3hov h HIS 816 N 0.04 0.64 0.13 -0.55 2.76 -0.84 -1.90 115.15 115.43 3hov h HIS 816 Ca -0.08 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.11 3hov h HIS 816 Cb 1.39 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 30.14 3hov h HIS 816 CO 0.13 0.33 -0.24 0.00 -1.30 0.00 0.00 177.93 176.85 3hov h ALA 817 N 1.30 -0.83 -0.96 5.26 0.00 -1.25 0.23 119.26 123.01 3hov h ALA 817 Ca 0.26 -0.07 0.19 0.00 0.00 0.00 0.00 54.91 55.29 3hov h ALA 817 Cb 0.11 0.59 -0.18 0.00 0.00 0.00 0.00 17.79 18.31 3hov h ALA 817 CO -0.15 -0.87 -0.26 -1.33 0.00 0.00 0.00 179.25 176.64 3hov n MET 818 N -3.82 -0.10 -0.11 0.00 2.00 -0.85 -0.12 117.12 114.11 3hov n MET 818 Ca -0.05 1.49 -0.09 0.00 0.00 0.00 0.00 57.70 59.06 3hov n MET 818 Cb 0.20 -2.23 -0.01 0.00 0.00 0.00 0.00 33.22 31.18 3hov n MET 818 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3hov h GLY 819 N 0.00 0.54 0.87 3.03 0.00 -0.86 -3.15 103.07 103.50 3hov h GLY 819 Ca 0.45 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.50 3hov h GLY 819 CO -0.98 0.23 -0.46 -1.33 0.00 0.00 0.00 176.54 174.00 3hov h GLY 820 N 0.45 -1.28 0.24 4.60 0.00 0.16 -2.26 103.07 104.99 3hov h GLY 820 Ca 0.13 0.51 0.00 0.00 0.00 0.00 0.00 47.33 47.97 3hov h GLY 820 CO -0.02 -0.44 0.87 -0.09 0.00 0.00 0.00 176.54 176.86 3hov h ARG 821 N -1.17 0.00 0.19 4.80 9.65 -0.89 1.21 114.38 128.17 3hov h ARG 821 Ca -0.11 0.00 -0.32 0.00 -1.10 0.00 0.00 59.98 58.45 3hov h ARG 821 Cb 0.93 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 29.52 3hov h ARG 821 CO 0.13 0.00 -1.53 1.49 2.80 0.00 0.00 179.97 182.86 3hov h GLU 822 N 0.00 0.39 0.41 0.20 4.81 -1.37 -2.87 114.58 116.16 3hov h GLU 822 Ca 0.00 -0.67 -0.02 0.00 -0.13 0.00 0.00 59.36 58.54 3hov h GLU 822 Cb 1.75 0.25 0.00 0.00 0.63 0.00 0.00 28.75 31.38 3hov h GLU 822 CO 0.00 1.30 -0.20 0.78 -0.73 0.00 0.00 179.01 180.16 3hov h GLY 823 N 0.89 -0.58 -0.10 1.92 0.00 0.15 -2.20 103.07 103.15 3hov h GLY 823 Ca -0.26 0.21 0.25 0.00 0.00 0.00 0.00 47.33 47.54 3hov h GLY 823 CO 0.21 -0.21 0.64 1.41 0.00 0.00 0.00 176.54 178.60 3hov h LEU 824 N -0.68 0.53 0.20 3.11 3.38 -1.51 0.23 115.31 120.58 3hov h LEU 824 Ca -0.06 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3hov h LEU 824 Cb 0.49 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3hov h LEU 824 CO 0.09 0.11 -0.10 0.40 0.09 0.00 0.00 178.44 179.04 3hov h ILE 825 N 0.47 0.00 -0.00 1.22 2.04 -1.22 -2.64 117.51 117.38 3hov h ILE 825 Ca 0.60 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 66.32 3hov h ILE 825 Cb 1.37 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.45 3hov h ILE 825 CO -0.34 0.00 0.04 -2.24 0.00 0.00 0.00 178.15 175.60 3hov h ASP 826 N -0.41 0.00 -0.15 1.72 3.04 -1.10 0.63 116.42 120.16 3hov h ASP 826 Ca -0.03 0.00 -0.09 0.00 -3.24 0.00 0.00 57.03 53.67 3hov h ASP 826 Cb 0.20 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.48 3hov h ASP 826 CO 0.04 0.00 -0.20 0.00 -2.04 0.00 0.00 179.24 177.04 3hov h THR 827 N 0.00 1.26 -0.00 1.15 1.03 -0.51 0.98 112.91 116.81 3hov h THR 827 Ca 0.00 -1.22 0.00 0.00 -0.01 0.00 0.00 66.41 65.18 3hov h THR 827 Cb 0.07 1.25 0.00 0.00 -1.07 0.00 0.00 68.15 68.40 3hov h THR 827 CO -0.00 0.40 -0.01 0.00 -0.01 0.00 0.00 175.52 175.90 3hov n ALA 828 N -2.49 2.37 -0.09 0.00 0.00 0.21 -2.71 120.51 117.80 3hov n ALA 828 Ca 0.00 -0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.23 3hov n ALA 828 Cb 0.39 -1.47 -0.04 0.00 0.00 0.00 0.00 19.45 18.34 3hov n ALA 828 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3hov n VAL 829 N -1.47 1.49 -0.16 0.00 0.31 -0.58 -4.13 118.33 113.80 3hov n VAL 829 Ca 0.08 0.10 0.29 0.00 -0.01 0.00 0.00 64.34 64.80 3hov n VAL 829 Cb 0.33 -2.29 0.65 0.00 -0.91 0.00 0.00 33.84 31.62 3hov n VAL 829 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3hov h LYS 830 N -0.97 0.00 -0.07 5.55 6.56 0.84 0.17 116.57 128.65 3hov h LYS 830 Ca -0.06 0.00 -0.11 0.00 -1.06 0.00 0.00 60.65 59.42 3hov h LYS 830 Cb 1.03 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.69 3hov h LYS 830 CO -0.04 0.00 -0.37 0.00 -2.06 0.00 0.00 179.45 176.98 3hov h THR 831 N 0.00 1.42 -0.21 -0.16 1.03 -1.69 -0.14 112.91 113.16 3hov h THR 831 Ca 0.43 -1.77 -0.21 0.00 -0.01 0.00 0.00 66.41 64.85 3hov h THR 831 Cb 2.15 2.32 0.01 0.00 -1.07 0.00 0.00 68.15 71.56 3hov h THR 831 CO -0.00 0.51 -0.69 0.00 -0.01 0.00 0.00 175.52 175.33 3hov h ALA 832 N 0.43 0.37 -0.32 0.00 0.00 -0.89 -0.94 119.26 117.92 3hov h ALA 832 Ca -0.03 -0.57 -0.11 0.00 0.00 0.00 0.00 54.91 54.21 3hov h ALA 832 Cb 1.02 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3hov h ALA 832 CO 0.08 0.68 -0.24 1.49 0.00 0.00 0.00 179.25 181.26 3hov h GLU 833 N 0.60 0.72 -0.33 0.00 4.81 -1.29 -2.36 114.58 116.73 3hov h GLU 833 Ca -0.03 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 3hov h GLU 833 Cb 1.31 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.67 3hov h GLU 833 CO 0.15 0.97 0.21 0.00 -0.73 0.00 0.00 179.01 179.60 3hov h THR 834 N 0.48 1.10 -0.58 0.32 1.03 -1.02 -2.12 112.91 112.13 3hov h THR 834 Ca 0.06 -0.21 0.07 0.00 -0.01 0.00 0.00 66.41 66.33 3hov h THR 834 Cb 0.80 0.64 -0.06 0.00 -1.07 0.00 0.00 68.15 68.46 3hov h THR 834 CO 0.06 0.10 0.26 1.23 -0.01 0.00 0.00 175.52 177.16 3hov h GLY 835 N 0.44 0.82 1.29 2.99 0.00 -0.92 -0.97 103.07 106.72 3hov h GLY 835 Ca 0.12 -0.16 -0.10 0.00 0.00 0.00 0.00 47.33 47.19 3hov h GLY 835 CO -0.02 0.05 -0.12 -1.82 0.00 0.00 0.00 176.54 174.63 3hov h TYR 836 N 0.48 0.93 0.29 5.60 3.20 -1.24 -2.23 116.97 124.00 3hov h TYR 836 Ca 0.28 -0.18 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 3hov h TYR 836 Cb 0.27 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 3hov h TYR 836 CO -0.13 0.90 -0.24 0.82 -1.64 0.00 0.00 178.16 177.87 3hov h ILE 837 N 0.75 0.48 -0.73 1.81 2.04 -0.70 -1.05 117.51 120.11 3hov h ILE 837 Ca 0.12 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.15 3hov h ILE 837 Cb 0.62 0.48 -0.12 0.00 -0.74 0.00 0.00 36.82 37.06 3hov h ILE 837 CO 0.04 0.00 0.08 -0.61 0.00 0.00 0.00 178.15 177.66 3hov h GLN 838 N -0.55 0.16 0.44 2.37 -0.00 -0.99 -0.67 115.11 115.88 3hov h GLN 838 Ca -0.02 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 58.60 3hov h GLN 838 Cb 0.49 -0.04 0.00 0.00 0.00 0.00 0.00 27.48 27.94 3hov h GLN 838 CO -0.02 0.11 -0.21 -0.09 0.00 0.00 0.00 178.83 178.61 3hov h ARG 839 N 0.16 -0.57 -0.82 1.69 2.43 -0.90 -2.11 114.38 114.26 3hov h ARG 839 Ca 0.41 0.04 0.17 0.00 -0.81 0.00 0.00 59.98 59.79 3hov h ARG 839 Cb 0.71 0.13 -0.11 0.00 -0.42 0.00 0.00 29.97 30.29 3hov h ARG 839 CO -0.59 -0.34 0.33 0.00 -1.51 0.00 0.00 179.97 177.86 3hov h ARG 840 N -0.67 0.41 0.45 0.20 3.08 -0.39 0.24 114.38 117.70 3hov h ARG 840 Ca -0.06 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 3hov h ARG 840 Cb 0.49 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 3hov h ARG 840 CO 0.10 0.27 -0.29 -0.07 -1.07 0.00 0.00 179.97 178.92 3hov h LEU 841 N 0.43 -0.72 -1.31 3.04 3.38 -0.90 -1.42 115.31 117.81 3hov h LEU 841 Ca 0.47 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.48 3hov h LEU 841 Cb 0.80 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 3hov h LEU 841 CO -0.46 -0.45 0.34 0.58 0.09 0.00 0.00 178.44 178.54 3hov h VAL 842 N -0.71 1.18 0.00 1.22 2.07 -0.61 -1.00 116.25 118.40 3hov h VAL 842 Ca -0.05 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3hov h VAL 842 Cb 0.58 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3hov h VAL 842 CO 0.05 0.19 0.00 0.11 0.02 0.00 0.00 177.57 177.94 3hov h LYS 843 N 0.82 0.00 -0.01 1.57 1.79 -0.34 -1.63 116.57 118.77 3hov h LYS 843 Ca 0.21 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 3hov h LYS 843 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3hov h LYS 843 CO -0.04 0.00 -0.46 0.00 -1.08 0.00 0.00 179.45 177.87 3hov n ALA 844 N -2.08 3.52 -0.01 3.86 0.00 -0.42 -4.25 120.51 121.13 3hov n ALA 844 Ca 0.02 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.01 3hov n ALA 844 Cb 0.37 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.78 3hov n ALA 844 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hov n LEU 845 N -0.96 0.05 0.00 0.00 4.77 -0.97 -4.93 117.00 114.97 3hov n LEU 845 Ca 0.08 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 3hov n LEU 845 Cb 0.36 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3hov n LEU 845 CO 0.31 0.01 0.02 -0.62 -1.33 0.00 0.00 177.39 175.79 3hov n GLU 846 N -0.75 0.00 0.00 3.23 1.02 -0.62 -0.84 120.64 122.68 3hov n GLU 846 Ca 0.00 0.04 0.02 0.00 -0.02 0.00 0.00 57.16 57.20 3hov n GLU 846 Cb 0.00 -0.07 0.13 0.00 -0.02 0.00 0.00 31.44 31.49 3hov n GLU 846 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3hov n ASP 847 N -0.99 0.00 -4.68 1.62 5.75 -1.26 -4.16 116.55 112.83 3hov n ASP 847 Ca 0.00 -0.49 -0.39 0.00 -0.01 0.00 0.00 54.79 53.90 3hov n ASP 847 Cb 0.00 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.03 3hov n ASP 847 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3hov s ILE 848 N -2.00 5.10 0.00 2.12 1.01 -0.02 -3.59 121.20 123.83 3hov s ILE 848 Ca 0.07 1.05 -0.20 0.00 0.00 0.00 0.00 60.65 61.56 3hov s ILE 848 Cb 0.03 -3.87 0.04 0.00 0.01 0.00 0.00 42.46 38.67 3hov s ILE 848 CO 0.05 0.21 0.44 0.00 0.00 0.00 0.00 174.94 175.64 3hov s MET 849 N 1.36 0.87 -0.08 2.79 0.23 -0.84 -0.40 119.30 123.23 3hov s MET 849 Ca 0.27 -0.16 -0.30 0.00 -1.03 0.00 0.00 55.69 54.47 3hov s MET 849 Cb -0.16 0.39 -0.05 0.00 -1.53 0.00 0.00 34.83 33.49 3hov s MET 849 CO 0.11 -0.28 1.62 0.08 -2.03 0.00 0.00 175.02 174.52 3hov s VAL 850 N -1.80 3.65 0.48 5.16 1.01 -0.95 -3.06 120.40 124.89 3hov s VAL 850 Ca -0.09 0.77 -0.05 0.00 0.00 0.00 0.00 61.98 62.61 3hov s VAL 850 Cb -0.02 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 3hov s VAL 850 CO 0.03 -0.09 0.78 -1.00 0.00 0.00 0.00 175.10 174.81 3hov s HIS 851 N 4.18 3.54 -0.73 5.22 3.76 0.45 -1.54 115.29 130.17 3hov s HIS 851 Ca 0.72 0.78 0.00 0.00 -0.15 0.00 0.00 55.06 56.41 3hov s HIS 851 Cb -0.31 -2.30 0.00 0.00 1.11 0.00 0.00 32.58 31.07 3hov s HIS 851 CO 0.28 -0.29 0.51 0.66 -0.85 0.00 0.00 174.74 175.06 3hov n TYR 852 N -2.25 0.00 -0.29 1.40 0.53 -1.26 0.14 117.16 115.43 3hov n TYR 852 Ca 0.00 0.00 0.07 0.00 -1.02 0.00 0.00 57.90 56.95 3hov n TYR 852 Cb 0.55 -0.13 0.19 0.00 -1.03 0.00 0.00 39.34 38.92 3hov n TYR 852 CO 0.00 0.00 0.00 -0.40 -1.02 0.00 0.00 176.86 175.44 3hov n ASP 853 N -1.01 3.22 0.00 7.72 5.68 -1.26 -4.95 116.55 125.94 3hov n ASP 853 Ca 0.00 -2.11 0.00 0.00 -0.50 0.00 0.00 54.79 52.18 3hov n ASP 853 Cb 0.13 -0.31 0.00 0.00 -1.14 0.00 0.00 41.12 39.81 3hov n ASP 853 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3hov n ASN 854 N 0.60 -0.37 -4.84 -1.12 3.02 0.12 -4.99 115.26 107.68 3hov n ASN 854 Ca 0.15 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.37 3hov n ASN 854 Cb 0.51 -0.21 -0.06 0.00 -0.61 0.00 0.00 39.78 39.41 3hov n ASN 854 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3hov s THR 855 N -3.60 4.64 -0.38 3.41 -1.32 -1.24 -3.10 115.64 114.05 3hov s THR 855 Ca 0.00 1.03 -0.05 0.00 -1.21 0.00 0.00 61.69 61.46 3hov s THR 855 Cb 0.00 -3.64 0.08 0.00 -1.51 0.00 0.00 72.50 67.42 3hov s THR 855 CO 0.00 -0.14 0.17 -0.89 -2.21 0.00 0.00 174.62 171.54 3hov s THR 856 N -1.94 3.62 0.45 5.08 2.01 -0.25 -0.41 115.64 124.20 3hov s THR 856 Ca 0.53 -1.56 0.03 0.00 0.31 0.00 0.00 61.69 61.00 3hov s THR 856 Cb -0.11 -3.24 -0.03 0.00 0.01 0.00 0.00 72.50 69.13 3hov s THR 856 CO 0.18 -0.44 0.04 -0.13 -0.69 0.00 0.00 174.62 173.58 3hov s ARG 857 N 1.30 2.04 0.00 4.92 0.52 -1.17 -0.89 118.95 125.67 3hov s ARG 857 Ca 0.02 -2.26 0.00 0.00 -0.52 0.00 0.00 55.73 52.97 3hov s ARG 857 Cb -0.22 -1.22 0.00 0.00 0.52 0.00 0.00 34.95 34.03 3hov s ARG 857 CO -0.00 -0.34 0.00 0.27 0.02 0.00 0.00 175.30 175.24 3hov n ASN 858 N -1.19 0.76 0.00 0.23 2.04 -1.20 -1.98 115.26 113.93 3hov n ASN 858 Ca -0.12 0.00 0.04 0.00 -0.44 0.00 0.00 54.58 54.06 3hov n ASN 858 Cb 0.66 0.00 0.25 0.00 -2.53 0.00 0.00 39.78 38.16 3hov n ASN 858 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 3hov n SER 859 N 0.00 0.00 -0.00 0.53 3.41 -1.24 -2.65 113.62 113.67 3hov n SER 859 Ca 0.00 -1.58 0.04 0.00 -0.26 0.00 0.00 58.87 57.06 3hov n SER 859 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 3hov n SER 859 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hov n LEU 860 N -0.64 0.13 0.00 1.04 4.77 -1.26 -4.73 117.00 116.30 3hov n LEU 860 Ca 0.06 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 3hov n LEU 860 Cb 0.03 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3hov n LEU 860 CO 0.05 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.75 3hov n GLY 861 N 1.74 0.72 3.71 -0.72 0.00 -1.09 -5.02 105.19 104.53 3hov n GLY 861 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3hov n GLY 861 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hov s ASN 862 N -2.80 6.57 0.45 1.61 0.01 -1.26 -4.77 114.94 114.74 3hov s ASN 862 Ca 0.00 2.60 -0.24 0.00 -0.71 0.00 0.00 52.86 54.51 3hov s ASN 862 Cb 0.00 -2.58 -0.07 0.00 0.41 0.00 0.00 41.25 39.00 3hov s ASN 862 CO 0.00 -0.87 1.20 -0.69 -1.51 0.00 0.00 177.10 175.23 3hov s VAL 863 N 1.77 2.94 0.00 1.60 1.01 -1.26 -3.21 120.40 123.26 3hov s VAL 863 Ca 0.72 0.74 0.00 0.00 0.00 0.00 0.00 61.98 63.44 3hov s VAL 863 Cb -0.43 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.56 3hov s VAL 863 CO 0.32 0.02 0.00 -0.38 0.00 0.00 0.00 175.10 175.06 3hov n ILE 864 N -0.38 0.00 -3.80 2.22 5.41 -0.07 -4.98 119.36 117.77 3hov n ILE 864 Ca 0.07 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.68 3hov n ILE 864 Cb 0.47 -0.62 -0.15 0.00 -0.71 0.00 0.00 39.64 38.64 3hov n ILE 864 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 3hov s GLN 865 N -1.91 0.04 0.19 0.38 -0.21 -1.13 -4.81 119.66 112.22 3hov s GLN 865 Ca 0.00 0.19 -0.02 0.00 0.02 0.00 0.00 55.36 55.55 3hov s GLN 865 Cb 0.00 -0.11 0.12 0.00 1.00 0.00 0.00 33.01 34.02 3hov s GLN 865 CO 0.00 -0.10 1.50 0.74 -2.12 0.00 0.00 175.29 175.31 3hov h PHE 866 N 6.76 0.61 -3.39 0.91 -1.00 -1.90 -0.63 116.94 118.28 3hov h PHE 866 Ca -0.36 -0.23 -0.38 0.00 2.81 0.00 0.00 57.97 59.81 3hov h PHE 866 Cb 1.16 -0.11 -0.36 0.00 3.61 0.00 0.00 35.95 40.25 3hov h PHE 866 CO 0.45 0.95 -0.75 0.42 -1.61 0.00 0.00 178.31 177.77 3hov s ILE 867 N -3.87 0.19 0.05 -0.55 1.09 -1.26 -3.62 121.20 113.22 3hov s ILE 867 Ca -0.06 0.15 -0.37 0.00 -1.10 0.00 0.00 60.65 59.27 3hov s ILE 867 Cb 0.11 -0.33 -0.17 0.00 -1.06 0.00 0.00 42.46 41.01 3hov s ILE 867 CO 0.83 0.19 1.38 0.00 -0.10 0.00 0.00 174.94 177.24 3hov n TYR 868 N 4.64 1.56 -1.36 3.97 9.36 -1.18 -0.72 117.16 133.42 3hov n TYR 868 Ca -0.17 0.63 -0.12 0.00 3.32 0.00 0.00 57.90 61.56 3hov n TYR 868 Cb 0.50 -2.34 -0.05 0.00 -0.63 0.00 0.00 39.34 36.82 3hov n TYR 868 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3hov n GLY 869 N 2.68 1.29 2.55 2.98 0.00 -1.26 0.52 105.19 113.95 3hov n GLY 869 Ca 0.19 -0.27 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 3hov n GLY 869 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hov n GLU 870 N -2.16 -1.48 0.00 1.61 1.02 0.10 -4.59 120.64 115.14 3hov n GLU 870 Ca -0.12 1.18 0.00 0.00 -0.02 0.00 0.00 57.16 58.20 3hov n GLU 870 Cb 0.47 -5.60 0.00 0.00 -0.02 0.00 0.00 31.44 26.29 3hov n GLU 870 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3hov n ASP 871 N -1.42 0.00 -0.00 1.62 5.75 -0.89 -4.84 116.55 116.77 3hov n ASP 871 Ca -0.21 -0.05 -0.00 0.00 -0.01 0.00 0.00 54.79 54.52 3hov n ASP 871 Cb 0.67 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.76 3hov n ASP 871 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hov n GLY 872 N 0.00 0.33 3.88 6.12 0.00 0.18 -4.89 105.19 110.81 3hov n GLY 872 Ca 0.00 -0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3hov n GLY 872 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hov s MET 873 N -0.70 3.68 -0.30 1.61 -1.94 -1.26 -0.31 119.30 120.08 3hov s MET 873 Ca 0.00 0.05 -0.25 0.00 -1.71 0.00 0.00 55.69 53.78 3hov s MET 873 Cb 0.00 -3.00 0.00 0.00 2.01 0.00 0.00 34.83 33.84 3hov s MET 873 CO 0.00 0.58 0.88 0.34 -0.01 0.00 0.00 175.02 176.81 3hov s ASP 874 N -1.85 6.77 0.54 3.03 -1.08 0.97 -4.60 116.67 120.45 3hov s ASP 874 Ca 0.32 0.84 0.18 0.00 -0.52 0.00 0.00 52.55 53.37 3hov s ASP 874 Cb -0.13 -2.45 0.97 0.00 -1.46 0.00 0.00 42.92 39.84 3hov s ASP 874 CO 0.18 -0.67 1.50 0.00 0.52 0.00 0.00 175.17 176.70 3hov h ALA 875 N 8.03 1.41 0.00 3.66 0.00 -1.87 0.89 119.26 131.38 3hov h ALA 875 Ca -0.23 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3hov h ALA 875 Cb 1.08 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 3hov h ALA 875 CO 0.93 -0.41 -0.03 0.00 0.00 0.00 0.00 179.25 179.73 3hov h ALA 876 N 0.98 0.99 -0.96 0.00 0.00 -1.85 -3.14 119.26 115.27 3hov h ALA 876 Ca 0.00 -0.03 -0.59 0.00 0.00 0.00 0.00 54.91 54.29 3hov h ALA 876 Cb 0.93 -0.00 -0.30 0.00 0.00 0.00 0.00 17.79 18.42 3hov h ALA 876 CO 0.00 0.04 0.69 0.72 0.00 0.00 0.00 179.25 180.70 3hov n HIS 877 N -3.12 3.07 -4.23 0.00 8.25 0.31 -4.89 115.22 114.61 3hov n HIS 877 Ca 0.02 -2.46 -0.19 0.00 -0.26 0.00 0.00 57.72 54.83 3hov n HIS 877 Cb 0.42 -1.17 -0.12 0.00 1.12 0.00 0.00 29.99 30.24 3hov n HIS 877 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3hov s ILE 878 N -4.13 1.34 0.08 1.59 1.01 -1.19 -4.16 121.20 115.74 3hov s ILE 878 Ca 0.60 -1.56 -0.07 0.00 0.00 0.00 0.00 60.65 59.63 3hov s ILE 878 Cb 0.49 -1.40 -0.01 0.00 0.01 0.00 0.00 42.46 41.55 3hov s ILE 878 CO 0.04 -0.29 0.13 -1.61 0.00 0.00 0.00 174.94 173.21 3hov s GLU 879 N -2.24 0.78 -0.03 2.79 2.02 -1.14 -4.73 118.70 116.14 3hov s GLU 879 Ca 0.05 -1.02 -0.30 0.00 0.02 0.00 0.00 54.97 53.72 3hov s GLU 879 Cb -0.07 0.31 -0.04 0.00 0.10 0.00 0.00 34.13 34.42 3hov s GLU 879 CO 0.03 -0.22 1.29 0.21 0.02 0.00 0.00 175.26 176.59 3hov s LYS 880 N -3.84 4.32 0.08 1.61 2.20 -1.26 0.37 119.74 123.22 3hov s LYS 880 Ca 0.05 1.81 0.05 0.00 -0.36 0.00 0.00 55.97 57.52 3hov s LYS 880 Cb 0.06 -3.56 -0.03 0.00 -1.51 0.00 0.00 37.83 32.78 3hov s LYS 880 CO -0.11 -0.51 -0.13 -0.65 -0.36 0.00 0.00 175.35 173.60 3hov s GLN 881 N 2.29 0.81 -0.17 4.03 -0.21 -0.66 -4.89 119.66 120.87 3hov s GLN 881 Ca 0.60 -0.98 -0.13 0.00 0.02 0.00 0.00 55.36 54.87 3hov s GLN 881 Cb -0.28 -0.76 -0.05 0.00 1.00 0.00 0.00 33.01 32.93 3hov s GLN 881 CO 0.24 0.16 0.26 0.45 -2.12 0.00 0.00 175.29 174.28 3hov s SER 882 N -1.85 6.40 -1.16 5.90 0.15 -1.26 -1.44 113.70 120.43 3hov s SER 882 Ca -0.01 0.46 -0.05 0.00 0.70 0.00 0.00 55.95 57.04 3hov s SER 882 Cb -0.09 -2.16 0.25 0.00 -1.71 0.00 0.00 66.02 62.30 3hov s SER 882 CO 0.02 0.12 1.75 0.18 1.20 0.00 0.00 173.24 176.51 3hov n LEU 883 N 3.52 6.81 0.00 3.45 4.77 0.07 -4.93 117.00 130.70 3hov n LEU 883 Ca -0.13 -5.04 0.00 0.00 -0.03 0.00 0.00 56.01 50.82 3hov n LEU 883 Cb 0.52 -1.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.28 3hov n LEU 883 CO 0.39 1.69 0.00 0.47 -1.33 0.00 0.00 177.39 178.62 3hov n ASP 884 N 1.92 0.00 -0.13 -1.43 8.00 -1.26 -1.69 116.55 121.97 3hov n ASP 884 Ca 0.37 0.01 0.03 0.00 0.71 0.00 0.00 54.79 55.91 3hov n ASP 884 Cb 0.32 -0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.48 3hov n ASP 884 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3hov n THR 885 N -1.76 -0.16 0.25 -3.53 -1.04 -1.26 -2.48 114.28 104.30 3hov n THR 885 Ca 0.00 0.84 -0.16 0.00 -2.04 0.00 0.00 64.05 62.69 3hov n THR 885 Cb 0.00 -1.18 -0.08 0.00 -1.82 0.00 0.00 70.33 67.25 3hov n THR 885 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 3hov h ILE 886 N 0.00 0.00 -1.94 12.58 2.10 -1.63 -3.45 117.51 125.17 3hov h ILE 886 Ca 0.19 0.00 -0.04 0.00 1.08 0.00 0.00 64.86 66.09 3hov h ILE 886 Cb 0.33 0.00 0.02 0.00 -1.09 0.00 0.00 36.82 36.08 3hov h ILE 886 CO -0.37 0.00 0.03 0.61 -1.08 0.00 0.00 178.15 177.34 3hov n GLY 887 N -1.48 -1.84 0.38 8.18 0.00 -1.04 -4.93 105.19 104.46 3hov n GLY 887 Ca -0.10 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.36 3hov n GLY 887 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hov n GLY 888 N 2.85 -3.07 3.75 -0.02 0.00 -1.26 -4.96 105.19 102.47 3hov n GLY 888 Ca 0.02 -1.21 -0.37 0.00 0.00 0.00 0.00 46.02 44.46 3hov n GLY 888 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hov s SER 889 N -3.72 5.32 0.53 1.61 1.04 -1.26 -3.80 113.70 113.42 3hov s SER 889 Ca 0.00 2.54 0.22 0.00 0.48 0.00 0.00 55.95 59.18 3hov s SER 889 Cb 0.00 -2.61 1.37 0.00 0.10 0.00 0.00 66.02 64.88 3hov s SER 889 CO 0.00 -1.52 2.08 0.44 0.98 0.00 0.00 173.24 175.22 3hov h ASP 890 N 1.25 0.00 0.00 7.02 3.32 -1.81 -1.54 116.42 124.66 3hov h ASP 890 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 3hov h ASP 890 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3hov h ASP 890 CO 0.56 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 178.08 3hov n ALA 891 N -2.56 -0.24 0.26 3.45 0.00 -1.26 -2.33 120.51 117.82 3hov n ALA 891 Ca 0.03 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.59 3hov n ALA 891 Cb 0.35 0.20 0.70 0.00 0.00 0.00 0.00 19.45 20.70 3hov n ALA 891 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hov h ALA 892 N -1.63 1.40 -0.00 0.00 0.00 -1.84 -2.59 119.26 114.60 3hov h ALA 892 Ca 0.00 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.83 3hov h ALA 892 Cb 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3hov h ALA 892 CO 0.00 0.15 -0.20 0.35 0.00 0.00 0.00 179.25 179.55 3hov h PHE 893 N 0.00 -0.52 0.05 0.00 3.57 -1.10 -1.42 116.94 117.52 3hov h PHE 893 Ca -0.00 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 3hov h PHE 893 Cb 0.29 0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.26 3hov h PHE 893 CO 0.00 -0.28 -0.02 1.49 -2.23 0.00 0.00 178.31 177.27 3hov h GLU 894 N -0.32 -0.07 0.00 1.11 4.81 -1.09 -1.71 114.58 117.31 3hov h GLU 894 Ca 0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3hov h GLU 894 Cb 0.39 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.79 3hov h GLU 894 CO -0.18 0.02 0.22 -0.22 -0.73 0.00 0.00 179.01 178.11 3hov h LYS 895 N -0.13 0.00 0.00 1.92 3.64 -1.16 -1.70 116.57 119.14 3hov h LYS 895 Ca -0.01 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.30 3hov h LYS 895 Cb 0.11 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 3hov h LYS 895 CO 0.01 0.00 -1.18 -2.13 -2.27 0.00 0.00 179.45 173.88 3hov n ARG 896 N -2.22 0.50 0.06 1.90 0.63 -0.57 -4.73 116.66 112.23 3hov n ARG 896 Ca -0.01 0.20 0.12 0.00 -0.92 0.00 0.00 57.85 57.24 3hov n ARG 896 Cb 0.25 -1.37 0.26 0.00 0.45 0.00 0.00 32.46 32.05 3hov n ARG 896 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3hov n TYR 897 N -4.35 0.53 -2.57 -0.14 4.02 -0.71 -4.51 117.16 109.43 3hov n TYR 897 Ca -0.19 0.15 -0.42 0.00 -0.01 0.00 0.00 57.90 57.43 3hov n TYR 897 Cb 0.55 -0.66 -0.03 0.00 -0.02 0.00 0.00 39.34 39.17 3hov n TYR 897 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 3hov s ARG 898 N -3.12 4.54 -0.14 -0.72 6.06 -0.64 -4.62 118.95 120.31 3hov s ARG 898 Ca 0.08 1.61 -0.03 0.00 -2.50 0.00 0.00 55.73 54.90 3hov s ARG 898 Cb 0.14 -3.37 0.05 0.00 0.06 0.00 0.00 34.95 31.83 3hov s ARG 898 CO 0.68 -0.06 0.05 0.08 -2.50 0.00 0.00 175.30 173.55 3hov s VAL 899 N 0.63 0.18 -0.33 7.11 1.01 -1.26 -4.94 120.40 122.79 3hov s VAL 899 Ca 0.53 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.38 3hov s VAL 899 Cb -0.26 -0.64 0.08 0.00 0.00 0.00 0.00 36.38 35.56 3hov s VAL 899 CO 0.30 -0.10 0.04 -0.62 0.00 0.00 0.00 175.10 174.72 3hov s ASP 900 N 2.03 4.82 0.39 3.32 -1.08 0.29 -4.77 116.67 121.67 3hov s ASP 900 Ca 0.02 -1.80 0.21 0.00 -0.52 0.00 0.00 52.55 50.46 3hov s ASP 900 Cb -0.15 -1.67 0.59 0.00 -1.46 0.00 0.00 42.92 40.23 3hov s ASP 900 CO -0.07 -0.35 1.68 -0.07 0.52 0.00 0.00 175.17 176.88 3hov h LEU 901 N 7.80 0.00 -3.88 -1.34 3.38 -1.93 -2.83 115.31 116.50 3hov h LEU 901 Ca -0.12 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.52 3hov h LEU 901 Cb 1.04 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.66 3hov h LEU 901 CO 0.54 0.28 0.23 0.18 0.09 0.00 0.00 178.44 179.77 3hov n LEU 902 N -3.29 6.15 -3.64 1.67 4.77 -1.26 -0.18 117.00 121.23 3hov n LEU 902 Ca 0.01 -3.46 -0.04 0.00 -0.03 0.00 0.00 56.01 52.50 3hov n LEU 902 Cb 0.54 -1.19 -0.07 0.00 -2.33 0.00 0.00 43.42 40.37 3hov n LEU 902 CO 0.36 1.46 0.54 0.21 -1.33 0.00 0.00 177.39 178.62 3hov s ASN 903 N 0.73 -0.70 0.24 -1.43 3.04 -1.21 -4.95 114.94 110.67 3hov s ASN 903 Ca 0.43 1.11 0.22 0.00 0.04 0.00 0.00 52.86 54.66 3hov s ASN 903 Cb 0.28 1.32 0.97 0.00 -1.54 0.00 0.00 41.25 42.28 3hov s ASN 903 CO -0.08 -0.17 1.68 0.41 -3.04 0.00 0.00 177.10 175.89 3hov n THR 904 N 4.03 0.89 0.14 -5.21 -1.04 -1.26 -2.95 114.28 108.87 3hov n THR 904 Ca -0.19 0.30 0.03 0.00 -2.04 0.00 0.00 64.05 62.15 3hov n THR 904 Cb 0.58 -1.23 0.03 0.00 -1.82 0.00 0.00 70.33 67.89 3hov n THR 904 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3hov n ASP 905 N -2.18 1.67 -1.55 8.00 8.00 -1.26 -4.68 116.55 124.54 3hov n ASP 905 Ca 0.02 -1.41 0.04 0.00 0.71 0.00 0.00 54.79 54.15 3hov n ASP 905 Cb 0.20 -0.03 0.03 0.00 -0.02 0.00 0.00 41.12 41.30 3hov n ASP 905 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3hov n HIS 906 N 0.20 0.09 -3.52 1.24 8.25 -1.15 -5.08 115.22 115.24 3hov n HIS 906 Ca 0.04 -0.65 -0.21 0.00 -0.26 0.00 0.00 57.72 56.63 3hov n HIS 906 Cb 0.18 -0.16 -0.02 0.00 1.12 0.00 0.00 29.99 31.10 3hov n HIS 906 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3hov s THR 907 N -0.40 2.58 -0.35 1.59 2.01 -1.07 0.11 115.64 120.10 3hov s THR 907 Ca 0.34 -1.31 -0.29 0.00 0.31 0.00 0.00 61.69 60.73 3hov s THR 907 Cb 0.38 -2.90 0.02 0.00 0.01 0.00 0.00 72.50 70.02 3hov s THR 907 CO -0.16 0.00 1.09 -0.76 -0.69 0.00 0.00 174.62 174.10 3hov s LEU 908 N -4.18 3.87 0.44 4.42 1.43 -1.26 -4.92 118.68 118.48 3hov s LEU 908 Ca 0.48 0.92 -0.24 0.00 -1.03 0.00 0.00 54.13 54.26 3hov s LEU 908 Cb -0.04 -3.54 -0.09 0.00 0.03 0.00 0.00 46.19 42.55 3hov s LEU 908 CO 0.28 -0.96 1.17 -0.67 0.23 0.00 0.00 176.35 176.40 3hov n ASP 909 N 7.07 2.00 0.00 2.29 -0.08 -1.26 -4.81 116.55 121.76 3hov n ASP 909 Ca 0.12 1.06 0.03 0.00 -1.51 0.00 0.00 54.79 54.49 3hov n ASP 909 Cb 0.47 -1.45 0.18 0.00 2.34 0.00 0.00 41.12 42.67 3hov n ASP 909 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3hov n PRO 910 N -0.05 0.26 0.09 -0.67 -0.04 -1.26 -1.96 135.00 131.37 3hov n PRO 910 Ca 0.08 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.51 3hov n PRO 910 Cb 0.40 -1.37 -0.04 0.00 -0.04 0.00 0.00 33.50 32.45 3hov n PRO 910 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3hov h SER 911 N 0.00 0.00 0.00 3.54 4.64 -1.96 -3.40 113.55 116.37 3hov h SER 911 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hov h SER 911 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hov h SER 911 CO 0.00 0.81 0.00 0.18 -0.87 0.00 0.00 176.83 176.95 3hov n LEU 912 N -3.35 1.85 -4.76 5.97 4.77 -0.83 -3.80 117.00 116.85 3hov n LEU 912 Ca 0.01 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.63 3hov n LEU 912 Cb 0.84 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.96 3hov n LEU 912 CO 0.44 0.00 0.82 -0.22 -1.33 0.00 0.00 177.39 177.10 3hov s LEU 913 N -1.04 3.68 0.04 2.23 2.96 -1.25 0.01 118.68 125.31 3hov s LEU 913 Ca 0.00 2.30 -0.17 0.00 -0.22 0.00 0.00 54.13 56.04 3hov s LEU 913 Cb 0.00 -4.59 -0.23 0.00 0.50 0.00 0.00 46.19 41.87 3hov s LEU 913 CO 0.00 -1.47 1.15 -0.08 -1.32 0.00 0.00 176.35 174.63 3hov h GLU 914 N 0.96 0.56 -1.44 1.98 4.81 -1.79 -3.23 114.58 116.43 3hov h GLU 914 Ca -0.50 -0.60 -0.39 0.00 -0.13 0.00 0.00 59.36 57.74 3hov h GLU 914 Cb 1.28 0.17 -0.17 0.00 0.63 0.00 0.00 28.75 30.67 3hov h GLU 914 CO 0.56 1.22 0.50 -1.13 -0.73 0.00 0.00 179.01 179.43 3hov n SER 915 N -4.04 6.70 0.11 1.04 3.41 -1.26 -4.61 113.62 114.97 3hov n SER 915 Ca -0.11 -3.20 -0.03 0.00 -0.26 0.00 0.00 58.87 55.27 3hov n SER 915 Cb 0.78 -1.05 0.12 0.00 -0.26 0.00 0.00 64.21 63.79 3hov n SER 915 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3hov h GLY 916 N 2.47 0.08 0.59 5.00 0.00 -1.82 -2.91 103.07 106.48 3hov h GLY 916 Ca 0.35 -0.11 -0.23 0.00 0.00 0.00 0.00 47.33 47.34 3hov h GLY 916 CO 0.91 0.10 -1.12 1.48 0.00 0.00 0.00 176.54 177.92 3hov h SER 917 N 0.05 0.40 0.00 0.19 4.64 -1.88 -3.31 113.55 113.65 3hov h SER 917 Ca -0.01 -0.89 0.00 0.00 -0.47 0.00 0.00 61.79 60.42 3hov h SER 917 Cb 1.20 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3hov h SER 917 CO 0.09 1.51 0.00 -1.84 -0.87 0.00 0.00 176.83 175.72 3hov n GLU 918 N -4.04 0.88 -0.04 4.77 0.28 -1.25 -2.86 120.64 118.38 3hov n GLU 918 Ca -0.20 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 56.82 3hov n GLU 918 Cb 0.85 -1.17 -0.14 0.00 1.43 0.00 0.00 31.44 32.41 3hov n GLU 918 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 177.13 178.48 3hov n ILE 919 N -0.67 0.51 -1.63 3.84 3.06 -1.10 -4.89 119.36 118.48 3hov n ILE 919 Ca 0.07 -0.56 -0.51 0.00 -2.50 0.00 0.00 62.75 59.25 3hov n ILE 919 Cb 0.03 -0.19 -0.06 0.00 0.54 0.00 0.00 39.64 39.97 3hov n ILE 919 CO 0.00 0.00 0.00 -0.11 -2.50 0.00 0.00 176.55 173.94 3hov n LEU 920 N -2.37 2.21 0.00 9.51 0.00 -1.13 -1.06 117.00 124.16 3hov n LEU 920 Ca -0.14 1.10 0.00 0.00 0.00 0.00 0.00 56.01 56.97 3hov n LEU 920 Cb 0.74 -1.26 0.00 0.00 0.00 0.00 0.00 43.42 42.90 3hov n LEU 920 CO 0.39 -0.73 0.00 0.61 0.00 0.00 0.00 177.39 177.66 3hov n GLY 921 N 3.03 0.50 3.56 -3.96 0.00 0.75 -4.95 105.19 104.12 3hov n GLY 921 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 3hov n GLY 921 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hov s ASP 922 N -2.26 5.44 0.35 1.61 -1.08 -0.22 -4.82 116.67 115.68 3hov s ASP 922 Ca 0.00 -0.82 0.15 0.00 -0.52 0.00 0.00 52.55 51.37 3hov s ASP 922 Cb 0.00 -2.56 1.06 0.00 -1.46 0.00 0.00 42.92 39.95 3hov s ASP 922 CO 0.00 -2.47 1.70 -0.07 0.52 0.00 0.00 175.17 174.85 3hov h LEU 923 N 16.75 0.53 -0.83 -1.34 3.38 -1.92 -1.15 115.31 130.73 3hov h LEU 923 Ca 0.11 0.15 0.10 0.00 0.09 0.00 0.00 57.88 58.32 3hov h LEU 923 Cb 1.01 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.76 3hov h LEU 923 CO 1.26 -0.01 0.47 0.11 0.09 0.00 0.00 178.44 180.36 3hov h LYS 924 N 0.40 0.76 0.05 1.13 1.79 -1.98 -2.98 116.57 115.74 3hov h LYS 924 Ca 0.68 -0.05 -0.18 0.00 -2.18 0.00 0.00 60.65 58.93 3hov h LYS 924 Cb 1.57 -0.17 0.02 0.00 -1.58 0.00 0.00 32.23 32.07 3hov h LYS 924 CO -0.48 0.50 -0.72 -0.07 -1.08 0.00 0.00 179.45 177.60 3hov h LEU 925 N 0.78 0.55 -1.66 2.94 3.38 -1.61 -3.21 115.31 116.47 3hov h LEU 925 Ca 0.40 -0.82 0.13 0.00 0.09 0.00 0.00 57.88 57.69 3hov h LEU 925 Cb 0.39 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3hov h LEU 925 CO -0.26 1.31 0.63 1.56 0.09 0.00 0.00 178.44 181.77 3hov h GLN 926 N -0.15 0.00 -0.22 1.13 1.08 -1.35 1.04 115.11 116.65 3hov h GLN 926 Ca -0.10 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.02 3hov h GLN 926 Cb 1.46 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.89 3hov h GLN 926 CO 0.14 0.00 -0.17 0.28 -0.95 0.00 0.00 178.83 178.13 3hov h VAL 927 N 0.00 1.32 -0.05 -0.54 2.07 -1.54 0.56 116.25 118.08 3hov h VAL 927 Ca 0.22 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 3hov h VAL 927 Cb 1.48 1.68 -0.00 0.00 -1.52 0.00 0.00 31.29 32.93 3hov h VAL 927 CO -0.00 0.40 -0.02 -0.07 0.02 0.00 0.00 177.57 177.90 3hov h LEU 928 N 0.20 0.10 -1.73 2.57 3.38 0.85 0.10 115.31 120.77 3hov h LEU 928 Ca 0.04 -0.40 0.01 0.00 0.09 0.00 0.00 57.88 57.63 3hov h LEU 928 Cb 0.70 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3hov h LEU 928 CO 0.04 0.47 0.20 -0.07 0.09 0.00 0.00 178.44 179.17 3hov h LEU 929 N -0.27 0.31 -0.16 1.67 -0.00 -0.69 0.58 115.31 116.75 3hov h LEU 929 Ca 0.01 -0.01 -0.09 0.00 -0.00 0.00 0.00 57.88 57.79 3hov h LEU 929 Cb 0.43 -0.08 -0.00 0.00 -0.00 0.00 0.00 40.66 41.02 3hov h LEU 929 CO 0.01 0.22 -0.26 0.44 -0.00 0.00 0.00 178.44 178.85 3hov h ASP 930 N 0.36 0.51 -0.06 -0.43 3.32 0.35 -0.81 116.42 119.67 3hov h ASP 930 Ca 0.11 -0.53 0.03 0.00 0.02 0.00 0.00 57.03 56.66 3hov h ASP 930 Cb 0.01 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.37 3hov h ASP 930 CO -0.02 0.94 -0.17 -0.08 -1.72 0.00 0.00 179.24 178.19 3hov h GLU 931 N 0.09 -0.24 0.15 3.56 4.81 0.48 0.38 114.58 123.80 3hov h GLU 931 Ca 0.01 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3hov h GLU 931 Cb 0.84 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.24 3hov h GLU 931 CO 0.06 -0.16 -0.46 1.49 -0.73 0.00 0.00 179.01 179.21 3hov h GLU 932 N -0.24 -0.67 -0.01 1.92 4.81 0.20 -1.39 114.58 119.19 3hov h GLU 932 Ca 0.07 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3hov h GLU 932 Cb 0.35 0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 3hov h GLU 932 CO -0.21 -0.45 0.02 -0.92 -0.73 0.00 0.00 179.01 176.72 3hov h TYR 933 N -0.69 0.00 -0.13 0.92 3.20 -0.81 -1.19 116.97 118.27 3hov h TYR 933 Ca -0.01 0.00 -0.20 0.00 3.14 0.00 0.00 58.73 61.66 3hov h TYR 933 Cb 0.68 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.95 3hov h TYR 933 CO -0.41 0.00 -0.73 -0.22 -1.64 0.00 0.00 178.16 175.16 3hov h LYS 934 N 0.00 0.59 0.28 1.82 3.64 0.73 -2.63 116.57 121.00 3hov h LYS 934 Ca 0.01 -0.47 -0.01 0.00 -1.27 0.00 0.00 60.65 58.90 3hov h LYS 934 Cb 0.04 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3hov h LYS 934 CO -0.00 1.09 -0.13 0.37 -2.27 0.00 0.00 179.45 178.51 3hov h GLN 935 N 0.41 -0.36 -0.78 1.90 5.75 -0.31 -1.70 115.11 120.03 3hov h GLN 935 Ca -0.03 0.02 0.18 0.00 -0.15 0.00 0.00 58.65 58.67 3hov h GLN 935 Cb 1.32 0.08 -0.12 0.00 1.07 0.00 0.00 27.48 29.84 3hov h GLN 935 CO 0.14 -0.02 0.21 -0.07 -2.65 0.00 0.00 178.83 176.44 3hov h LEU 936 N -0.77 0.04 -1.11 -2.39 3.38 -1.31 0.43 115.31 113.58 3hov h LEU 936 Ca -0.04 0.16 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 3hov h LEU 936 Cb 0.50 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 3hov h LEU 936 CO 0.06 -0.05 -0.28 1.62 0.09 0.00 0.00 178.44 179.88 3hov h VAL 937 N 0.28 1.26 -0.02 1.22 3.04 -1.42 -2.16 116.25 118.44 3hov h VAL 937 Ca 0.45 -1.21 -0.00 0.00 -1.01 0.00 0.00 66.70 64.93 3hov h VAL 937 Cb 0.80 1.46 -0.00 0.00 -2.01 0.00 0.00 31.29 31.54 3hov h VAL 937 CO -0.54 0.37 0.00 0.50 -1.01 0.00 0.00 177.57 176.89 3hov h LYS 938 N 0.24 0.04 -0.38 4.17 3.64 0.69 -2.93 116.57 122.04 3hov h LYS 938 Ca 0.04 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.47 3hov h LYS 938 Cb 0.63 -0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.36 3hov h LYS 938 CO 0.05 0.31 -0.41 -0.44 -2.27 0.00 0.00 179.45 176.68 3hov h ASP 939 N -0.23 -1.37 -1.07 4.20 3.32 -0.49 -0.33 116.42 120.44 3hov h ASP 939 Ca 0.01 0.21 0.32 0.00 0.02 0.00 0.00 57.03 57.59 3hov h ASP 939 Cb 0.29 0.60 -0.13 0.00 0.22 0.00 0.00 39.33 40.31 3hov h ASP 939 CO 0.00 -0.37 0.65 -0.09 -1.72 0.00 0.00 179.24 177.72 3hov h ARG 940 N -0.33 0.32 -0.02 3.56 2.43 -1.32 0.53 114.38 119.54 3hov h ARG 940 Ca 0.14 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.22 3hov h ARG 940 Cb 0.58 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 3hov h ARG 940 CO -0.55 0.21 -0.26 0.87 -1.51 0.00 0.00 179.97 178.73 3hov h LYS 941 N 0.32 0.21 -0.67 0.20 1.79 -0.93 -2.84 116.57 114.66 3hov h LYS 941 Ca 0.71 -0.20 0.07 0.00 -2.18 0.00 0.00 60.65 59.05 3hov h LYS 941 Cb 1.76 0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 32.40 3hov h LYS 941 CO -0.48 0.89 0.35 0.35 -1.08 0.00 0.00 179.45 179.49 3hov h PHE 942 N -0.40 0.64 -0.36 -1.35 3.57 0.67 -1.53 116.94 118.19 3hov h PHE 942 Ca -0.03 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 3hov h PHE 942 Cb 0.97 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.50 3hov h PHE 942 CO 0.16 0.28 0.14 -0.07 -2.23 0.00 0.00 178.31 176.59 3hov h LEU 943 N 0.64 0.50 -1.00 0.59 3.38 -0.19 -1.31 115.31 117.92 3hov h LEU 943 Ca 0.31 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3hov h LEU 943 Cb 0.25 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3hov h LEU 943 CO -0.22 0.54 0.00 0.54 0.09 0.00 0.00 178.44 179.40 3hov n ARG 944 N -4.67 0.10 0.00 1.13 1.74 -0.71 -0.31 116.66 113.93 3hov n ARG 944 Ca -0.01 0.59 -0.22 0.00 -0.77 0.00 0.00 57.85 57.44 3hov n ARG 944 Cb 0.15 -1.83 -0.14 0.00 -1.02 0.00 0.00 32.46 29.62 3hov n ARG 944 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3hov h GLU 945 N 0.00 0.23 0.01 5.56 5.08 -0.32 -3.29 114.58 121.86 3hov h GLU 945 Ca 0.00 -0.40 -0.00 0.00 -1.00 0.00 0.00 59.36 57.96 3hov h GLU 945 Cb 0.02 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3hov h GLU 945 CO 0.00 1.19 -0.01 0.28 -1.00 0.00 0.00 179.01 179.48 3hov h VAL 946 N -0.28 1.44 -2.57 3.13 2.07 -0.33 -3.34 116.25 116.36 3hov h VAL 946 Ca -0.33 -1.39 -0.75 0.00 0.82 0.00 0.00 66.70 65.05 3hov h VAL 946 Cb 1.79 2.37 -0.32 0.00 -1.52 0.00 0.00 31.29 33.61 3hov h VAL 946 CO 0.05 0.36 0.44 0.49 0.02 0.00 0.00 177.57 178.92 3hov n PHE 947 N -4.81 2.79 -0.34 1.57 0.99 0.57 -4.88 117.46 113.35 3hov n PHE 947 Ca -0.09 -3.01 -0.01 0.00 -0.00 0.00 0.00 57.45 54.34 3hov n PHE 947 Cb 0.30 -1.03 0.04 0.00 -1.00 0.00 0.00 39.48 37.78 3hov n PHE 947 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 3hov n VAL 948 N 0.79 -0.47 -0.24 -4.37 0.31 -1.24 -0.00 118.33 113.11 3hov n VAL 948 Ca 0.32 2.08 0.17 0.00 -0.01 0.00 0.00 64.34 66.89 3hov n VAL 948 Cb 0.34 -2.75 0.31 0.00 -0.91 0.00 0.00 33.84 30.84 3hov n VAL 948 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3hov n ASP 949 N -5.31 0.08 0.00 4.52 4.64 -1.26 -4.75 116.55 114.47 3hov n ASP 949 Ca 0.09 1.19 0.00 0.00 -1.38 0.00 0.00 54.79 54.70 3hov n ASP 949 Cb 0.36 -0.51 0.00 0.00 -1.04 0.00 0.00 41.12 39.93 3hov n ASP 949 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3hov n GLY 950 N -1.27 0.33 3.66 0.27 0.00 1.00 -4.79 105.19 104.39 3hov n GLY 950 Ca 0.22 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.75 3hov n GLY 950 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3hov n GLU 951 N -1.58 1.94 0.00 1.61 4.07 -1.26 -4.56 120.64 120.86 3hov n GLU 951 Ca 0.00 0.69 0.12 0.00 -0.06 0.00 0.00 57.16 57.91 3hov n GLU 951 Cb 0.00 -2.60 0.08 0.00 -0.06 0.00 0.00 31.44 28.86 3hov n GLU 951 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3hov n ALA 952 N 7.17 3.27 -3.03 4.31 0.00 -1.26 -4.90 120.51 126.08 3hov n ALA 952 Ca 0.25 -0.62 -0.37 0.00 0.00 0.00 0.00 53.44 52.71 3hov n ALA 952 Cb 0.28 -0.85 -0.12 0.00 0.00 0.00 0.00 19.45 18.76 3hov n ALA 952 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3hov s ASN 953 N -2.38 5.22 -0.04 0.00 0.01 -1.26 -0.75 114.94 115.75 3hov s ASN 953 Ca 0.22 -0.30 -0.03 0.00 -0.71 0.00 0.00 52.86 52.04 3hov s ASN 953 Cb 0.19 -1.94 0.02 0.00 0.41 0.00 0.00 41.25 39.92 3hov s ASN 953 CO 0.51 -0.08 0.09 0.26 -1.51 0.00 0.00 177.10 176.37 3hov s TRP 954 N 1.61 -0.10 0.07 2.20 0.52 -0.52 -4.88 118.94 117.84 3hov s TRP 954 Ca 0.06 0.27 -0.31 0.00 0.02 0.00 0.00 56.10 56.14 3hov s TRP 954 Cb -0.16 -0.01 -0.09 0.00 -1.15 0.00 0.00 33.47 32.06 3hov s TRP 954 CO 0.04 -0.07 1.80 -1.25 0.02 0.00 0.00 176.95 177.49 3hov s PRO 955 N 0.32 4.16 0.01 4.98 0.04 -1.25 -1.66 135.00 141.61 3hov s PRO 955 Ca -0.02 2.49 -0.01 0.00 0.04 0.00 0.00 61.00 63.49 3hov s PRO 955 Cb -0.03 -3.76 -0.01 0.00 0.04 0.00 0.00 34.50 30.73 3hov s PRO 955 CO -0.01 -0.84 0.02 -0.51 0.04 0.00 0.00 177.00 175.69 3hov s LEU 956 N 3.23 2.01 1.25 -3.56 1.43 0.16 -4.82 118.68 118.39 3hov s LEU 956 Ca 0.80 -0.26 -0.16 0.00 -1.03 0.00 0.00 54.13 53.48 3hov s LEU 956 Cb -0.42 0.19 0.30 0.00 0.03 0.00 0.00 46.19 46.29 3hov s LEU 956 CO 0.36 -0.21 0.89 -0.81 0.23 0.00 0.00 176.35 176.80 3hov n PRO 957 N 2.08 -3.05 -3.01 1.29 -0.04 -1.26 -2.90 135.00 128.11 3hov n PRO 957 Ca -0.20 -0.87 -0.01 0.00 -0.04 0.00 0.00 63.50 62.38 3hov n PRO 957 Cb 0.57 -2.06 -0.01 0.00 -0.04 0.00 0.00 33.50 31.96 3hov n PRO 957 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3hov n VAL 958 N -5.17 -4.54 -2.25 0.52 0.31 -1.26 -4.80 118.33 101.14 3hov n VAL 958 Ca 0.04 0.83 -0.43 0.00 -0.01 0.00 0.00 64.34 64.77 3hov n VAL 958 Cb 0.56 -3.86 -0.02 0.00 -0.91 0.00 0.00 33.84 29.60 3hov n VAL 958 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3hov s ASN 959 N -0.70 6.36 0.04 4.52 3.84 -1.26 -4.86 114.94 122.88 3hov s ASN 959 Ca -0.04 1.20 -0.06 0.00 0.21 0.00 0.00 52.86 54.18 3hov s ASN 959 Cb 0.00 -2.54 -0.29 0.00 -0.55 0.00 0.00 41.25 37.87 3hov s ASN 959 CO 0.22 -1.35 1.03 0.40 -2.79 0.00 0.00 177.10 174.61 3hov h ILE 960 N 6.32 1.35 -0.52 -5.21 2.04 -1.95 -3.10 117.51 116.43 3hov h ILE 960 Ca -0.30 -2.92 0.10 0.00 1.00 0.00 0.00 64.86 62.75 3hov h ILE 960 Cb 1.13 2.90 -0.10 0.00 -0.74 0.00 0.00 36.82 40.01 3hov h ILE 960 CO 1.04 0.86 -0.11 -0.09 0.00 0.00 0.00 178.15 179.85 3hov h ARG 961 N 0.08 0.02 -0.02 2.37 2.43 -2.00 -2.59 114.38 114.67 3hov h ARG 961 Ca -0.19 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.97 3hov h ARG 961 Cb 2.02 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.56 3hov h ARG 961 CO 0.20 0.01 -0.02 0.00 -1.51 0.00 0.00 179.97 178.65 3hov h ARG 962 N 0.02 0.05 0.00 0.20 3.08 -1.98 -2.87 114.38 112.88 3hov h ARG 962 Ca 0.25 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.28 3hov h ARG 962 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3hov h ARG 962 CO -0.52 0.55 0.37 1.51 -1.07 0.00 0.00 179.97 180.81 3hov n ILE 963 N -4.80 0.60 -0.08 2.04 3.06 -1.00 0.88 119.36 120.06 3hov n ILE 963 Ca -0.08 0.60 -0.09 0.00 -2.50 0.00 0.00 62.75 60.68 3hov n ILE 963 Cb 0.28 -1.60 -0.10 0.00 0.54 0.00 0.00 39.64 38.75 3hov n ILE 963 CO 0.00 0.00 0.00 -0.38 -2.50 0.00 0.00 176.55 173.67 3hov n ILE 964 N -1.51 1.00 -0.26 9.51 5.41 -1.04 -3.78 119.36 128.68 3hov n ILE 964 Ca -0.00 -0.52 -0.06 0.00 1.00 0.00 0.00 62.75 63.17 3hov n ILE 964 Cb 0.38 -0.84 0.05 0.00 -0.71 0.00 0.00 39.64 38.53 3hov n ILE 964 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 3hov h GLN 965 N 0.00 1.04 -0.55 0.38 4.20 0.71 0.40 115.11 121.29 3hov h GLN 965 Ca -0.39 -0.15 -0.10 0.00 0.06 0.00 0.00 58.65 58.07 3hov h GLN 965 Cb 1.77 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 29.34 3hov h GLN 965 CO -0.01 0.82 -0.04 -0.91 -0.67 0.00 0.00 178.83 178.01 3hov h ASN 966 N 1.01 0.97 -0.37 1.46 2.35 -1.43 -1.49 115.58 118.08 3hov h ASN 966 Ca 0.25 -0.28 0.07 0.00 -0.55 0.00 0.00 56.30 55.79 3hov h ASN 966 Cb 0.12 -0.26 -0.07 0.00 0.05 0.00 0.00 38.32 38.16 3hov h ASN 966 CO -0.03 1.05 -0.09 0.00 -1.65 0.00 0.00 177.43 176.71 3hov h ALA 967 N 1.05 0.25 0.36 -0.83 0.00 -1.10 0.51 119.26 119.50 3hov h ALA 967 Ca 0.15 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3hov h ALA 967 Cb 0.58 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3hov h ALA 967 CO 0.03 -0.45 -0.27 1.96 0.00 0.00 0.00 179.25 180.52 3hov h GLN 968 N 0.00 -0.58 -0.46 0.00 4.20 0.22 -2.86 115.11 115.63 3hov h GLN 968 Ca 0.18 0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.92 3hov h GLN 968 Cb 0.27 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 3hov h GLN 968 CO -0.38 -0.39 0.25 0.37 -0.67 0.00 0.00 178.83 178.01 3hov h GLN 969 N -0.60 0.63 -0.76 1.46 4.15 -1.05 0.03 115.11 118.96 3hov h GLN 969 Ca -0.05 -0.06 0.08 0.00 0.77 0.00 0.00 58.65 59.40 3hov h GLN 969 Cb 0.50 -0.13 -0.05 0.00 0.21 0.00 0.00 27.48 28.01 3hov h GLN 969 CO 0.02 0.46 0.50 1.15 -1.93 0.00 0.00 178.83 179.03 3hov h THR 970 N 0.64 0.98 -0.28 2.39 2.02 0.07 -2.61 112.91 116.11 3hov h THR 970 Ca 0.17 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.09 3hov h THR 970 Cb 0.02 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.60 3hov h THR 970 CO -0.03 0.13 0.00 0.49 0.37 0.00 0.00 175.52 176.49 3hov n PHE 971 N -4.49 0.74 -3.37 3.16 3.01 -0.70 -4.98 117.46 110.81 3hov n PHE 971 Ca 0.12 -0.73 -0.20 0.00 1.01 0.00 0.00 57.45 57.64 3hov n PHE 971 Cb 0.29 -0.20 -0.03 0.00 -0.01 0.00 0.00 39.48 39.53 3hov n PHE 971 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 3hov n HIS 972 N -0.15 -1.65 -1.46 1.38 8.25 -0.09 -4.78 115.22 116.72 3hov n HIS 972 Ca 0.17 0.35 -0.52 0.00 -0.26 0.00 0.00 57.72 57.46 3hov n HIS 972 Cb 0.71 -1.91 -0.07 0.00 1.12 0.00 0.00 29.99 29.83 3hov n HIS 972 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3hov n ILE 973 N -3.43 0.20 -3.16 1.59 5.41 -1.03 -4.94 119.36 113.99 3hov n ILE 973 Ca 0.03 -0.22 -0.39 0.00 1.00 0.00 0.00 62.75 63.17 3hov n ILE 973 Cb 0.50 -1.53 -0.05 0.00 -0.71 0.00 0.00 39.64 37.85 3hov n ILE 973 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 176.55 178.06 3hov s ASP 974 N 6.81 6.83 0.00 4.38 -4.77 -1.26 -4.94 116.67 123.72 3hov s ASP 974 Ca 1.09 1.00 0.05 0.00 -3.30 0.00 0.00 52.55 51.39 3hov s ASP 974 Cb -0.92 -2.35 0.28 0.00 -1.09 0.00 0.00 42.92 38.84 3hov s ASP 974 CO 0.52 -0.09 0.70 1.41 0.70 0.00 0.00 175.17 178.41 3hov n HIS 975 N 3.87 0.00 -0.02 2.11 8.25 -1.26 -3.71 115.22 124.46 3hov n HIS 975 Ca -0.04 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.41 3hov n HIS 975 Cb 0.51 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.62 3hov n HIS 975 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3hov h THR 976 N 0.00 0.00 -3.13 1.59 2.02 -1.97 -3.49 112.91 107.93 3hov h THR 976 Ca 0.00 -0.30 -0.40 0.00 0.77 0.00 0.00 66.41 66.47 3hov h THR 976 Cb 0.00 0.00 0.21 0.00 -1.74 0.00 0.00 68.15 66.62 3hov h THR 976 CO 0.00 0.00 -0.06 -0.54 0.37 0.00 0.00 175.52 175.29 3hov s LYS 977 N -1.37 -2.15 0.07 6.66 1.02 -1.24 -4.97 119.74 117.75 3hov s LYS 977 Ca -0.04 0.38 -0.05 0.00 0.02 0.00 0.00 55.97 56.28 3hov s LYS 977 Cb 0.01 -1.45 -0.05 0.00 -0.52 0.00 0.00 37.83 35.82 3hov s LYS 977 CO 0.06 -4.42 0.30 -1.25 -0.92 0.00 0.00 175.35 169.12 3hov s PRO 978 N -4.85 3.58 0.20 -1.68 0.04 -1.25 -4.85 135.00 126.18 3hov s PRO 978 Ca 0.69 -0.13 -0.03 0.00 0.04 0.00 0.00 61.00 61.57 3hov s PRO 978 Cb -0.18 -2.99 0.05 0.00 0.04 0.00 0.00 34.50 31.43 3hov s PRO 978 CO 0.60 0.57 0.15 0.45 0.04 0.00 0.00 177.00 178.81 3hov n SER 979 N 0.60 -1.70 -2.11 6.66 2.88 0.10 -4.76 113.62 115.28 3hov n SER 979 Ca -0.07 -0.38 -0.00 0.00 -1.33 0.00 0.00 58.87 57.09 3hov n SER 979 Cb 0.52 -0.15 0.04 0.00 -0.75 0.00 0.00 64.21 63.87 3hov n SER 979 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3hov n ASP 980 N -3.34 0.35 -4.80 -3.46 5.75 -1.26 -3.00 116.55 106.79 3hov n ASP 980 Ca 0.02 -2.05 -0.36 0.00 -0.01 0.00 0.00 54.79 52.39 3hov n ASP 980 Cb 0.09 -0.06 -0.07 0.00 -1.03 0.00 0.00 41.12 40.05 3hov n ASP 980 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3hov s LEU 981 N -2.14 4.30 0.46 -2.12 1.43 -1.26 -4.54 118.68 114.81 3hov s LEU 981 Ca 0.21 0.41 -0.21 0.00 -1.03 0.00 0.00 54.13 53.50 3hov s LEU 981 Cb 0.31 -2.15 -0.09 0.00 0.03 0.00 0.00 46.19 44.30 3hov s LEU 981 CO -0.09 0.27 1.03 -0.89 0.23 0.00 0.00 176.35 176.90 3hov s THR 982 N -0.28 3.85 -1.21 5.49 2.01 -1.26 -4.74 115.64 119.50 3hov s THR 982 Ca 0.13 1.21 0.06 0.00 0.31 0.00 0.00 61.69 63.41 3hov s THR 982 Cb -0.12 -3.52 0.08 0.00 0.01 0.00 0.00 72.50 68.95 3hov s THR 982 CO 0.02 -0.19 1.13 -0.38 -0.69 0.00 0.00 174.62 174.51 3hov n ILE 983 N -0.71 1.23 -0.08 1.82 5.41 -1.26 0.29 119.36 126.05 3hov n ILE 983 Ca 0.08 0.31 -0.09 0.00 1.00 0.00 0.00 62.75 64.05 3hov n ILE 983 Cb 0.52 -1.20 -0.16 0.00 -0.71 0.00 0.00 39.64 38.09 3hov n ILE 983 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3hov n LYS 984 N -1.39 0.68 0.41 0.38 4.81 -1.26 -3.68 118.16 118.11 3hov n LYS 984 Ca 0.02 0.02 -0.16 0.00 -0.87 0.00 0.00 58.31 57.33 3hov n LYS 984 Cb 0.06 -1.56 -0.08 0.00 0.02 0.00 0.00 35.03 33.48 3hov n LYS 984 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 3hov h ASP 985 N 0.00 -0.89 0.00 3.14 3.32 -0.50 -1.44 116.42 120.05 3hov h ASP 985 Ca -0.48 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3hov h ASP 985 Cb 2.14 0.23 -0.00 0.00 0.22 0.00 0.00 39.33 41.92 3hov h ASP 985 CO 0.03 -0.63 -0.02 0.40 -1.72 0.00 0.00 179.24 177.31 3hov h ILE 986 N -1.04 0.00 -0.66 0.35 2.04 -1.59 -0.60 117.51 116.02 3hov h ILE 986 Ca -0.10 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.88 3hov h ILE 986 Cb 0.80 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.75 3hov h ILE 986 CO 0.17 0.00 -0.25 0.58 0.00 0.00 0.00 178.15 178.65 3hov h VAL 987 N -0.02 0.24 0.00 1.67 2.07 -1.65 -0.57 116.25 117.99 3hov h VAL 987 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3hov h VAL 987 Cb 0.02 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 3hov h VAL 987 CO -0.01 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.76 3hov n LEU 988 N -5.46 0.00 -0.09 2.57 4.77 -0.54 -2.00 117.00 116.25 3hov n LEU 988 Ca 0.07 0.37 -0.18 0.00 -0.03 0.00 0.00 56.01 56.25 3hov n LEU 988 Cb 0.36 -0.37 -0.12 0.00 -2.33 0.00 0.00 43.42 40.96 3hov n LEU 988 CO 0.01 -0.01 -0.11 1.23 -1.33 0.00 0.00 177.39 177.18 3hov h GLY 989 N 4.93 0.00 1.16 -0.72 0.00 0.45 -2.65 103.07 106.24 3hov h GLY 989 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 3hov h GLY 989 CO 0.00 0.00 0.26 -2.08 0.00 0.00 0.00 176.54 174.72 3hov h VAL 990 N -1.00 1.25 -0.75 4.60 2.07 -1.39 0.69 116.25 121.72 3hov h VAL 990 Ca -0.19 -0.81 -0.04 0.00 0.82 0.00 0.00 66.70 66.49 3hov h VAL 990 Cb 1.14 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 3hov h VAL 990 CO -0.11 0.32 0.31 0.50 0.02 0.00 0.00 177.57 178.61 3hov h LYS 991 N 1.03 1.10 -0.10 1.57 3.64 -1.54 -2.78 116.57 119.49 3hov h LYS 991 Ca 0.23 -0.18 -0.20 0.00 -1.27 0.00 0.00 60.65 59.23 3hov h LYS 991 Cb 0.24 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3hov h LYS 991 CO -0.02 0.88 -0.77 0.22 -2.27 0.00 0.00 179.45 177.50 3hov h ASP 992 N 1.08 0.67 -0.49 4.20 1.82 -0.77 -3.27 116.42 119.66 3hov h ASP 992 Ca 0.25 -0.45 0.05 0.00 -0.39 0.00 0.00 57.03 56.49 3hov h ASP 992 Cb 0.18 -0.20 -0.05 0.00 0.68 0.00 0.00 39.33 39.95 3hov h ASP 992 CO -0.02 1.22 0.23 0.25 -1.61 0.00 0.00 179.24 179.30 3hov h LEU 993 N 0.38 0.31 -0.97 2.28 5.85 0.60 -2.11 115.31 121.65 3hov h LEU 993 Ca -0.04 0.03 0.18 0.00 0.84 0.00 0.00 57.88 58.89 3hov h LEU 993 Cb 1.37 -0.02 -0.10 0.00 0.37 0.00 0.00 40.66 42.28 3hov h LEU 993 CO 0.14 0.22 0.57 1.56 -0.34 0.00 0.00 178.44 180.59 3hov h GLN 994 N 0.45 0.72 0.00 1.25 4.20 -1.56 0.25 115.11 120.42 3hov h GLN 994 Ca 0.22 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.89 3hov h GLN 994 Cb 0.16 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.77 3hov h GLN 994 CO -0.17 0.48 0.21 0.39 -0.67 0.00 0.00 178.83 179.06 3hov n GLU 995 N -4.78 0.10 0.00 1.46 -0.58 -0.79 -2.17 120.64 113.87 3hov n GLU 995 Ca 0.22 0.58 0.05 0.00 -0.42 0.00 0.00 57.16 57.59 3hov n GLU 995 Cb 0.53 -2.03 -0.02 0.00 -0.57 0.00 0.00 31.44 29.34 3hov n GLU 995 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3hov n ASN 996 N -2.07 1.03 -3.37 1.62 3.02 0.08 -4.76 115.26 110.80 3hov n ASN 996 Ca -0.01 -1.01 -0.33 0.00 -0.03 0.00 0.00 54.58 53.20 3hov n ASN 996 Cb 0.23 0.65 -0.03 0.00 -0.61 0.00 0.00 39.78 40.02 3hov n ASN 996 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3hov n LEU 997 N -0.57 5.88 -4.67 3.41 4.77 -0.92 -4.91 117.00 119.99 3hov n LEU 997 Ca 0.04 -3.39 -0.43 0.00 -0.03 0.00 0.00 56.01 52.20 3hov n LEU 997 Cb 0.21 -1.28 -0.02 0.00 -2.33 0.00 0.00 43.42 40.00 3hov n LEU 997 CO 0.16 0.81 1.11 -0.76 -1.33 0.00 0.00 177.39 177.38 3hov s LEU 998 N 0.62 4.25 -0.13 2.23 1.02 -1.26 -4.90 118.68 120.51 3hov s LEU 998 Ca 0.51 1.90 -0.08 0.00 0.02 0.00 0.00 54.13 56.48 3hov s LEU 998 Cb 0.13 -3.55 -0.06 0.00 0.02 0.00 0.00 46.19 42.74 3hov s LEU 998 CO -0.02 -0.74 -0.19 0.52 0.02 0.00 0.00 176.35 175.94 3hov n VAL 999 N 5.08 0.97 -3.44 -1.59 0.31 -1.26 -4.85 118.33 113.55 3hov n VAL 999 Ca 0.14 -0.09 -0.21 0.00 -0.01 0.00 0.00 64.34 64.16 3hov n VAL 999 Cb 0.44 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.59 3hov n VAL 999 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3hov s LEU 1000N -6.99 3.20 0.00 7.52 1.43 -1.26 -4.99 118.68 117.59 3hov s LEU 1000Ca -0.20 -0.84 0.00 0.00 -1.03 0.00 0.00 54.13 52.06 3hov s LEU 1000Cb 0.07 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.44 3hov s LEU 1000CO 0.26 -0.93 0.00 0.54 0.23 0.00 0.00 176.35 176.45 3hov n ARG 1001N -1.80 0.00 -0.21 1.70 1.74 -1.26 -4.99 116.66 111.84 3hov n ARG 1001Ca 0.06 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.07 3hov n ARG 1001Cb 0.62 -0.44 0.00 0.00 -1.02 0.00 0.00 32.46 31.62 3hov n ARG 1001CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hov n GLY 1002N 1.78 -0.51 3.37 -0.13 0.00 -1.26 -4.84 105.19 103.60 3hov n GLY 1002Ca 0.00 -0.02 -0.45 0.00 0.00 0.00 0.00 46.02 45.55 3hov n GLY 1002CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hov s LYS 1003N -0.17 3.94 -0.25 1.61 1.02 -1.26 -4.45 119.74 120.18 3hov s LYS 1003Ca 0.10 -2.70 -0.37 0.00 0.02 0.00 0.00 55.97 53.02 3hov s LYS 1003Cb -0.09 -4.66 0.15 0.00 -0.52 0.00 0.00 37.83 32.71 3hov s LYS 1003CO 0.11 -1.42 1.31 0.54 -0.92 0.00 0.00 175.35 174.97 3hov s ASN 1004N 2.13 -0.06 0.09 2.83 2.20 -1.26 -5.06 114.94 115.81 3hov s ASN 1004Ca 0.30 0.01 -0.24 0.00 -0.94 0.00 0.00 52.86 51.98 3hov s ASN 1004Cb -0.08 0.06 -0.15 0.00 -2.00 0.00 0.00 41.25 39.08 3hov s ASN 1004CO -0.07 -0.10 1.73 -0.08 -2.94 0.00 0.00 177.10 175.63 3hov h GLU 1005N 2.01 -0.10 -0.28 3.55 4.57 -1.97 0.94 114.58 123.30 3hov h GLU 1005Ca -0.05 0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.20 3hov h GLU 1005Cb 1.14 0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 29.68 3hov h GLU 1005CO 0.20 -0.07 -0.25 0.82 -1.18 0.00 0.00 179.01 178.54 3hov h ILE 1006N -0.10 0.37 -0.07 2.32 2.04 -1.98 0.26 117.51 120.34 3hov h ILE 1006Ca -0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 3hov h ILE 1006Cb 0.08 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 36.54 3hov h ILE 1006CO 0.01 0.00 0.02 0.40 0.00 0.00 0.00 178.15 178.58 3hov h ILE 1007N -0.24 1.18 -0.71 -0.67 1.08 -1.89 -1.79 117.51 114.47 3hov h ILE 1007Ca 0.15 -0.56 0.03 0.00 -0.39 0.00 0.00 64.86 64.09 3hov h ILE 1007Cb 0.47 1.43 -0.04 0.00 -3.07 0.00 0.00 36.82 35.60 3hov h ILE 1007CO -0.41 0.16 0.47 1.56 -0.69 0.00 0.00 178.15 179.23 3hov h GLN 1008N -0.09 0.84 -0.28 2.37 1.08 -0.39 -0.61 115.11 118.02 3hov h GLN 1008Ca 0.02 -0.05 -0.06 0.00 -1.45 0.00 0.00 58.65 57.12 3hov h GLN 1008Cb 0.23 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 3hov h GLN 1008CO -0.00 0.56 -0.04 -0.91 -0.95 0.00 0.00 178.83 177.49 3hov h ASN 1009N 0.86 0.52 -0.87 1.46 2.35 -0.37 -2.05 115.58 117.48 3hov h ASN 1009Ca 0.28 -0.34 0.16 0.00 -0.55 0.00 0.00 56.30 55.85 3hov h ASN 1009Cb 0.05 -0.14 -0.10 0.00 0.05 0.00 0.00 38.32 38.18 3hov h ASN 1009CO -0.08 0.74 0.45 0.00 -1.65 0.00 0.00 177.43 176.90 3hov h ALA 1010N 0.80 1.34 0.10 -0.83 0.00 -0.38 -0.59 119.26 119.69 3hov h ALA 1010Ca 0.08 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3hov h ALA 1010Cb 0.50 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3hov h ALA 1010CO 0.02 -0.10 -0.08 0.37 0.00 0.00 0.00 179.25 179.46 3hov h GLN 1011N 0.62 -0.18 -0.58 0.00 5.75 -0.80 0.11 115.11 120.04 3hov h GLN 1011Ca 0.49 0.01 0.08 0.00 -0.15 0.00 0.00 58.65 59.08 3hov h GLN 1011Cb 0.72 0.04 -0.06 0.00 1.07 0.00 0.00 27.48 29.25 3hov h GLN 1011CO -0.38 -0.12 0.24 -0.09 -2.65 0.00 0.00 178.83 175.84 3hov h ARG 1012N -0.18 0.44 0.37 1.69 2.43 -0.48 -1.96 114.38 116.68 3hov h ARG 1012Ca -0.00 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3hov h ARG 1012Cb 0.17 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3hov h ARG 1012CO -0.01 0.29 -0.26 -0.44 -1.51 0.00 0.00 179.97 178.03 3hov h ASP 1013N 0.45 -0.67 -1.41 -3.80 3.32 -0.86 -1.37 116.42 112.08 3hov h ASP 1013Ca 0.28 0.05 0.41 0.00 0.02 0.00 0.00 57.03 57.80 3hov h ASP 1013Cb 0.30 0.21 -0.08 0.00 0.22 0.00 0.00 39.33 39.98 3hov h ASP 1013CO -0.26 -0.40 0.99 0.00 -1.72 0.00 0.00 179.24 177.85 3hov h ALA 1014N -0.05 3.16 0.00 3.45 0.00 -0.25 -0.48 119.26 125.08 3hov h ALA 1014Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hov h ALA 1014Cb 0.53 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3hov h ALA 1014CO 0.01 -1.62 -0.95 0.28 0.00 0.00 0.00 179.25 176.97 3hov n VAL 1015N -4.26 0.00 -0.35 0.00 0.31 -0.87 -4.72 118.33 108.44 3hov n VAL 1015Ca 0.33 -0.08 -0.10 0.00 -0.01 0.00 0.00 64.34 64.48 3hov n VAL 1015Cb 1.45 0.94 -0.09 0.00 -0.91 0.00 0.00 33.84 35.23 3hov n VAL 1015CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3hov h THR 1016N 0.00 0.00 -0.57 2.52 2.02 0.04 -1.56 112.91 115.36 3hov h THR 1016Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 3hov h THR 1016Cb 0.47 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 3hov h THR 1016CO 0.00 0.00 0.25 0.25 0.37 0.00 0.00 175.52 176.39 3hov h LEU 1017N -0.05 0.76 -0.70 2.58 5.85 -1.85 -2.67 115.31 119.23 3hov h LEU 1017Ca 0.14 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.76 3hov h LEU 1017Cb 0.40 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 3hov h LEU 1017CO -0.82 0.70 0.40 0.15 -0.34 0.00 0.00 178.44 178.53 3hov h PHE 1018N 0.78 0.75 -0.49 1.25 3.57 -1.73 -2.58 116.94 118.48 3hov h PHE 1018Ca 0.19 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 3hov h PHE 1018Cb 0.16 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 3hov h PHE 1018CO 0.00 0.37 0.23 0.00 -2.23 0.00 0.00 178.31 176.68 3hov h LEU 1021N 0.16 0.25 -0.06 0.00 5.85 -1.07 0.19 115.31 120.62 3hov h LEU 1021Ca 0.39 0.01 0.03 0.00 0.84 0.00 0.00 57.88 59.15 3hov h LEU 1021Cb 0.66 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 3hov h LEU 1021CO -0.58 0.18 -0.19 0.25 -0.34 0.00 0.00 178.44 177.76 3hov h LEU 1022N 0.34 -0.58 -1.24 2.25 5.85 0.26 -1.35 115.31 120.84 3hov h LEU 1022Ca 0.13 0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.86 3hov h LEU 1022Cb 0.04 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 3hov h LEU 1022CO -0.09 -0.25 -0.37 0.03 -0.34 0.00 0.00 178.44 177.43 3hov h ARG 1023N -0.28 0.00 -0.53 1.25 3.08 -0.60 0.10 114.38 117.40 3hov h ARG 1023Ca 0.07 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.15 3hov h ARG 1023Cb 0.39 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 3hov h ARG 1023CO -0.22 0.37 0.35 1.03 -1.07 0.00 0.00 179.97 180.43 3hov h SER 1024N 0.00 0.54 0.00 7.04 0.87 0.41 -3.11 113.55 119.31 3hov h SER 1024Ca -0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 3hov h SER 1024Cb 0.70 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 3hov h SER 1024CO 0.05 0.38 -1.70 0.54 -0.53 0.00 0.00 176.83 175.56 3hov n ARG 1025N -4.47 0.63 -1.28 2.24 5.12 -0.65 -4.53 116.66 113.73 3hov n ARG 1025Ca 0.06 -0.14 -0.18 0.00 -1.93 0.00 0.00 57.85 55.65 3hov n ARG 1025Cb 0.13 -1.41 0.13 0.00 -1.16 0.00 0.00 32.46 30.14 3hov n ARG 1025CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3hov n LEU 1026N -2.04 5.37 -4.75 0.55 4.77 0.27 -4.58 117.00 116.60 3hov n LEU 1026Ca -0.03 -4.14 -0.41 0.00 -0.03 0.00 0.00 56.01 51.41 3hov n LEU 1026Cb 0.44 -0.66 -0.04 0.00 -2.33 0.00 0.00 43.42 40.84 3hov n LEU 1026CO 0.37 1.51 0.86 0.00 -1.33 0.00 0.00 177.39 178.81 3hov s ALA 1027N -3.48 3.44 0.25 -1.18 0.00 -1.18 -4.77 121.76 114.84 3hov s ALA 1027Ca 0.52 0.97 -0.14 0.00 0.00 0.00 0.00 51.96 53.31 3hov s ALA 1027Cb 0.44 -3.39 0.32 0.00 0.00 0.00 0.00 23.12 20.48 3hov s ALA 1027CO 0.02 -0.33 1.56 1.15 0.00 0.00 0.00 175.76 178.15 3hov h THR 1028N 3.48 0.03 -0.13 0.00 2.02 -1.92 0.27 112.91 116.68 3hov h THR 1028Ca -0.46 0.00 0.05 0.00 0.77 0.00 0.00 66.41 66.77 3hov h THR 1028Cb 1.21 0.03 -0.06 0.00 -1.74 0.00 0.00 68.15 67.60 3hov h THR 1028CO 0.71 0.00 -0.27 -0.09 0.37 0.00 0.00 175.52 176.24 3hov h ARG 1029N -0.01 -0.33 0.51 6.66 1.12 -1.85 -2.24 114.38 118.24 3hov h ARG 1029Ca 0.39 0.02 -0.02 0.00 -1.11 0.00 0.00 59.98 59.26 3hov h ARG 1029Cb 0.64 0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 30.66 3hov h ARG 1029CO -0.96 -0.22 -0.36 0.00 -3.11 0.00 0.00 179.97 175.32 3hov h ARG 1030N -0.34 -0.81 -1.25 0.20 3.08 -1.13 0.50 114.38 114.63 3hov h ARG 1030Ca 0.10 0.06 0.37 0.00 0.07 0.00 0.00 59.98 60.58 3hov h ARG 1030Cb 0.49 0.18 -0.10 0.00 0.08 0.00 0.00 29.97 30.63 3hov h ARG 1030CO -0.32 -0.54 0.83 0.28 -1.07 0.00 0.00 179.97 179.15 3hov h VAL 1031N -0.84 0.29 0.00 2.04 2.07 -0.39 -0.36 116.25 119.06 3hov h VAL 1031Ca -0.06 -0.06 -0.33 0.00 0.82 0.00 0.00 66.70 67.07 3hov h VAL 1031Cb 0.70 0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.53 3hov h VAL 1031CO 0.03 0.03 -2.22 0.18 0.02 0.00 0.00 177.57 175.62 3hov n LEU 1032N -4.53 2.64 -0.03 2.57 4.77 -0.86 -2.39 117.00 119.17 3hov n LEU 1032Ca 0.32 -0.02 -0.12 0.00 -0.03 0.00 0.00 56.01 56.16 3hov n LEU 1032Cb 1.26 -0.72 -0.10 0.00 -2.33 0.00 0.00 43.42 41.53 3hov n LEU 1032CO 0.27 0.76 0.45 -0.61 -1.33 0.00 0.00 177.39 176.93 3hov h GLN 1033N -0.20 -0.04 0.00 3.23 5.75 0.13 -3.22 115.11 120.77 3hov h GLN 1033Ca -0.50 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.01 3hov h GLN 1033Cb 1.67 0.01 0.00 0.00 1.07 0.00 0.00 27.48 30.23 3hov h GLN 1033CO -0.14 0.65 0.00 0.39 -2.65 0.00 0.00 178.83 177.08 3hov n GLU 1034N -4.75 0.00 -0.35 1.69 1.02 -0.24 -4.49 120.64 113.52 3hov n GLU 1034Ca -0.09 0.29 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 3hov n GLU 1034Cb 0.34 -0.79 0.14 0.00 -0.02 0.00 0.00 31.44 31.11 3hov n GLU 1034CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 3hov h TYR 1035N 0.00 1.13 -2.94 -0.32 0.99 -1.48 -3.47 116.97 110.88 3hov h TYR 1035Ca 0.00 0.03 -0.28 0.00 2.00 0.00 0.00 58.73 60.47 3hov h TYR 1035Cb 0.00 -0.37 0.03 0.00 1.00 0.00 0.00 36.73 37.38 3hov h TYR 1035CO 0.00 0.63 -0.41 0.54 -0.00 0.00 0.00 178.16 178.92 3hov n ARG 1036N -4.51 -2.84 -1.95 4.88 5.12 -1.09 -4.97 116.66 111.30 3hov n ARG 1036Ca 0.13 0.65 -0.34 0.00 -1.93 0.00 0.00 57.85 56.37 3hov n ARG 1036Cb 0.13 -4.95 0.03 0.00 -1.16 0.00 0.00 32.46 26.51 3hov n ARG 1036CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3hov s LEU 1037N -4.63 3.52 0.00 0.55 1.43 -1.01 -4.83 118.68 113.72 3hov s LEU 1037Ca 0.16 2.05 0.07 0.00 -1.03 0.00 0.00 54.13 55.38 3hov s LEU 1037Cb -0.07 -4.56 0.07 0.00 0.03 0.00 0.00 46.19 41.66 3hov s LEU 1037CO 0.19 -1.46 0.61 0.35 0.23 0.00 0.00 176.35 176.28 3hov n THR 1038N -2.01 0.00 -0.01 5.49 -2.24 -1.26 -4.68 114.28 109.58 3hov n THR 1038Ca 0.11 -1.62 0.01 0.00 -2.27 0.00 0.00 64.05 60.27 3hov n THR 1038Cb 0.52 -0.53 0.32 0.00 -2.10 0.00 0.00 70.33 68.55 3hov n THR 1038CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3hov h LYS 1039N 0.00 0.54 0.24 -0.78 1.63 -1.95 -1.63 116.57 114.62 3hov h LYS 1039Ca -0.23 -0.09 -0.01 0.00 -0.85 0.00 0.00 60.65 59.46 3hov h LYS 1039Cb 1.03 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.57 3hov h LYS 1039CO 0.34 0.51 -0.11 0.37 -3.45 0.00 0.00 179.45 177.11 3hov h GLN 1040N 0.53 -0.30 -1.05 1.90 4.15 -1.94 -2.60 115.11 115.79 3hov h GLN 1040Ca 0.12 0.02 0.38 0.00 0.77 0.00 0.00 58.65 59.94 3hov h GLN 1040Cb 0.23 0.07 -0.16 0.00 0.21 0.00 0.00 27.48 27.83 3hov h GLN 1040CO -0.00 -0.20 0.60 0.00 -1.93 0.00 0.00 178.83 177.30 3hov h ALA 1041N -1.69 2.16 0.50 3.38 0.00 -1.89 -0.00 119.26 121.71 3hov h ALA 1041Ca -0.03 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3hov h ALA 1041Cb 0.24 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3hov h ALA 1041CO 0.05 -0.85 -0.24 0.35 0.00 0.00 0.00 179.25 178.57 3hov h PHE 1042N 0.16 -0.62 -0.57 0.00 3.57 -1.31 -1.90 116.94 116.27 3hov h PHE 1042Ca 0.79 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 62.44 3hov h PHE 1042Cb 2.04 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 40.96 3hov h PHE 1042CO -0.01 -0.31 0.41 -0.44 -2.23 0.00 0.00 178.31 175.74 3hov h ASP 1043N -0.87 0.01 0.26 0.41 3.32 -0.61 -0.29 116.42 118.64 3hov h ASP 1043Ca -0.07 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 3hov h ASP 1043Cb 0.59 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 3hov h ASP 1043CO 0.11 0.00 -0.13 -0.25 -1.72 0.00 0.00 179.24 177.26 3hov h TRP 1044N 0.01 -0.33 -0.57 4.55 7.01 -1.24 -2.18 115.95 123.19 3hov h TRP 1044Ca 0.27 -0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.37 3hov h TRP 1044Cb 1.09 0.11 -0.09 0.00 -2.10 0.00 0.00 29.16 28.17 3hov h TRP 1044CO -0.00 0.02 0.09 0.28 -2.79 0.00 0.00 178.44 176.04 3hov h VAL 1045N -0.93 0.62 -0.58 2.65 2.07 -0.65 0.26 116.25 119.70 3hov h VAL 1045Ca -0.04 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.42 3hov h VAL 1045Cb 0.50 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 3hov h VAL 1045CO 0.06 0.04 0.38 -0.07 0.02 0.00 0.00 177.57 178.00 3hov h LEU 1046N 0.21 0.65 -0.20 2.57 3.38 -1.13 0.37 115.31 121.17 3hov h LEU 1046Ca 0.30 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.19 3hov h LEU 1046Cb 0.45 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 3hov h LEU 1046CO -0.41 0.46 -0.12 -1.28 0.09 0.00 0.00 178.44 177.18 3hov h SER 1047N 0.76 0.45 -0.35 -0.43 0.87 0.12 -2.66 113.55 112.31 3hov h SER 1047Ca 0.22 -0.43 -0.17 0.00 -1.23 0.00 0.00 61.79 60.18 3hov h SER 1047Cb -0.05 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 61.78 3hov h SER 1047CO -0.05 0.78 -0.44 0.78 -0.53 0.00 0.00 176.83 177.37 3hov h ASN 1048N 0.12 0.99 -0.94 6.23 -0.26 -0.95 -1.88 115.58 118.89 3hov h ASN 1048Ca 0.04 -0.48 0.11 0.00 -0.56 0.00 0.00 56.30 55.41 3hov h ASN 1048Cb 0.62 -0.28 -0.07 0.00 -1.06 0.00 0.00 38.32 37.53 3hov h ASN 1048CO 0.03 1.28 0.60 0.40 -1.06 0.00 0.00 177.43 178.69 3hov h ILE 1049N 0.74 0.94 0.66 2.81 2.04 -0.93 0.17 117.51 123.94 3hov h ILE 1049Ca 0.05 -0.32 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 3hov h ILE 1049Cb 1.04 -0.06 0.01 0.00 -0.74 0.00 0.00 36.82 37.06 3hov h ILE 1049CO 0.10 0.17 -0.32 -0.08 0.00 0.00 0.00 178.15 178.02 3hov h GLU 1050N 0.92 -0.86 -0.05 2.37 4.81 -1.09 -2.59 114.58 118.09 3hov h GLU 1050Ca 0.45 0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.78 3hov h GLU 1050Cb 0.47 0.20 -0.05 0.00 0.63 0.00 0.00 28.75 29.99 3hov h GLU 1050CO -0.21 -0.56 -0.29 0.00 -0.73 0.00 0.00 179.01 177.22 3hov h ALA 1051N -1.15 -0.38 -0.86 2.92 0.00 -1.05 -0.71 119.26 118.04 3hov h ALA 1051Ca -0.09 0.00 0.21 0.00 0.00 0.00 0.00 54.91 55.03 3hov h ALA 1051Cb 0.70 0.53 -0.06 0.00 0.00 0.00 0.00 17.79 18.96 3hov h ALA 1051CO 0.15 -0.79 0.58 1.96 0.00 0.00 0.00 179.25 181.16 3hov h GLN 1052N -0.41 0.29 0.20 0.00 4.20 -1.07 -0.92 115.11 117.40 3hov h GLN 1052Ca 0.08 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 3hov h GLN 1052Cb 0.52 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.24 3hov h GLN 1052CO -0.28 0.19 -0.10 0.35 -0.67 0.00 0.00 178.83 178.33 3hov h PHE 1053N 0.30 -0.25 -1.44 2.96 3.57 -0.74 -2.58 116.94 118.76 3hov h PHE 1053Ca 0.44 -0.01 0.42 0.00 3.53 0.00 0.00 57.97 62.35 3hov h PHE 1053Cb 1.24 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 40.00 3hov h PHE 1053CO -0.00 -0.15 1.13 -0.07 -2.23 0.00 0.00 178.31 176.98 3hov h LEU 1054N -0.36 0.00 -0.34 0.59 3.38 -0.72 0.96 115.31 118.81 3hov h LEU 1054Ca -0.03 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.75 3hov h LEU 1054Cb 0.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3hov h LEU 1054CO 0.04 0.00 -0.78 0.03 0.09 0.00 0.00 178.44 177.82 3hov h ARG 1055N 0.00 0.40 0.00 1.13 3.08 -1.10 -3.24 114.38 114.66 3hov h ARG 1055Ca 0.69 -0.35 -0.01 0.00 0.07 0.00 0.00 59.98 60.37 3hov h ARG 1055Cb 2.93 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 33.06 3hov h ARG 1055CO -0.01 1.00 -0.06 0.77 -1.07 0.00 0.00 179.97 180.61 3hov h SER 1056N 0.26 0.00 -4.03 7.04 0.02 0.14 -3.45 113.55 113.53 3hov h SER 1056Ca -0.04 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.36 3hov h SER 1056Cb 1.37 0.00 0.13 0.00 0.14 0.00 0.00 62.40 64.05 3hov h SER 1056CO 0.13 0.06 0.64 -0.69 -1.14 0.00 0.00 176.83 175.83 3hov s VAL 1057N -3.78 2.04 0.25 2.27 1.01 -1.12 -0.02 120.40 121.05 3hov s VAL 1057Ca -0.00 0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.71 3hov s VAL 1057Cb 0.10 -3.02 -0.09 0.00 0.00 0.00 0.00 36.38 33.37 3hov s VAL 1057CO 0.55 0.00 1.26 -0.69 0.00 0.00 0.00 175.10 176.22 3hov s VAL 1058N -1.26 3.15 -0.29 2.92 1.01 0.58 -4.47 120.40 122.03 3hov s VAL 1058Ca 0.68 1.04 -0.26 0.00 0.00 0.00 0.00 61.98 63.44 3hov s VAL 1058Cb -0.42 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.30 3hov s VAL 1058CO 0.51 0.20 0.92 -1.00 0.00 0.00 0.00 175.10 175.73 3hov s HIS 1059N -0.48 3.21 0.03 5.22 3.76 -1.26 -4.97 115.29 120.80 3hov s HIS 1059Ca 0.52 1.05 -0.31 0.00 -0.15 0.00 0.00 55.06 56.17 3hov s HIS 1059Cb -0.36 -3.36 -0.10 0.00 1.11 0.00 0.00 32.58 29.87 3hov s HIS 1059CO 0.43 -0.60 1.91 -2.30 -0.85 0.00 0.00 174.74 173.32 3hov n PRO 1060N 6.41 2.67 0.00 8.40 -0.02 -1.26 -1.33 135.00 149.87 3hov n PRO 1060Ca 0.08 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 3hov n PRO 1060Cb 0.47 -2.89 0.00 0.00 -0.02 0.00 0.00 33.50 31.07 3hov n PRO 1060CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hov n GLY 1061N 4.40 4.31 2.67 -1.23 0.00 -0.59 -4.89 105.19 109.87 3hov n GLY 1061Ca 0.20 -0.79 -0.49 0.00 0.00 0.00 0.00 46.02 44.94 3hov n GLY 1061CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hov n GLU 1062N 0.00 0.00 -0.93 1.61 -0.58 -0.44 -2.46 120.64 117.84 3hov n GLU 1062Ca 0.00 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.54 3hov n GLU 1062Cb 0.00 -1.15 -0.08 0.00 -0.57 0.00 0.00 31.44 29.64 3hov n GLU 1062CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 3hov n MET 1063N 4.46 2.28 -0.36 3.49 2.81 -1.26 -2.23 117.12 126.31 3hov n MET 1063Ca 0.33 -1.33 0.32 0.00 -1.81 0.00 0.00 57.70 55.22 3hov n MET 1063Cb -0.04 -2.27 0.55 0.00 -0.71 0.00 0.00 33.22 30.76 3hov n MET 1063CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3hov n VAL 1064N 3.22 -0.27 0.00 2.03 0.31 -1.21 -2.81 118.33 119.60 3hov n VAL 1064Ca 0.49 1.61 0.00 0.00 -0.01 0.00 0.00 64.34 66.43 3hov n VAL 1064Cb 0.47 -2.64 0.00 0.00 -0.91 0.00 0.00 33.84 30.76 3hov n VAL 1064CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hov n GLY 1065N -1.37 -2.47 0.33 2.92 0.00 0.47 -0.62 105.19 104.45 3hov n GLY 1065Ca 0.34 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.49 3hov n GLY 1065CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hov h VAL 1066N 0.00 0.12 0.28 1.61 2.07 -1.63 0.17 116.25 118.88 3hov h VAL 1066Ca 0.00 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 3hov h VAL 1066Cb 0.00 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.81 3hov h VAL 1066CO 0.00 0.01 -0.37 0.25 0.02 0.00 0.00 177.57 177.49 3hov h LEU 1067N 0.06 -1.03 -1.08 2.57 7.12 -1.45 -1.30 115.31 120.19 3hov h LEU 1067Ca 0.57 0.09 0.18 0.00 0.13 0.00 0.00 57.88 58.84 3hov h LEU 1067Cb 1.15 0.35 -0.10 0.00 -0.53 0.00 0.00 40.66 41.54 3hov h LEU 1067CO -0.83 -0.45 0.61 0.00 -0.13 0.00 0.00 178.44 177.64 3hov h ALA 1068N -1.06 1.72 0.80 1.25 0.00 0.16 0.15 119.26 122.28 3hov h ALA 1068Ca -0.03 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3hov h ALA 1068Cb 0.60 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3hov h ALA 1068CO -0.09 -0.05 -0.42 0.00 0.00 0.00 0.00 179.25 178.69 3hov h ALA 1069N 1.62 -1.13 -0.08 0.00 0.00 -0.34 -2.68 119.26 116.65 3hov h ALA 1069Ca 0.55 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.24 3hov h ALA 1069Cb 0.85 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 3hov h ALA 1069CO -0.33 -1.14 0.06 1.96 0.00 0.00 0.00 179.25 179.80 3hov h GLN 1070N -1.12 0.00 0.00 0.00 4.20 -0.63 0.28 115.11 117.83 3hov h GLN 1070Ca -0.11 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.52 3hov h GLN 1070Cb 0.87 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 3hov h GLN 1070CO 0.16 0.00 -0.40 0.77 -0.67 0.00 0.00 178.83 178.69 3hov h SER 1071N 0.00 0.00 0.00 1.46 0.02 -0.73 -1.09 113.55 113.21 3hov h SER 1071Ca 0.04 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.85 3hov h SER 1071Cb 0.16 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 3hov h SER 1071CO -0.00 0.40 -0.88 0.40 -1.14 0.00 0.00 176.83 175.61 3hov h ILE 1072N 0.00 0.77 -0.06 3.27 2.04 -0.90 -3.38 117.51 119.25 3hov h ILE 1072Ca -0.00 -1.88 0.04 0.00 1.00 0.00 0.00 64.86 64.01 3hov h ILE 1072Cb 0.72 1.76 -0.05 0.00 -0.74 0.00 0.00 36.82 38.51 3hov h ILE 1072CO 0.05 0.26 -0.30 1.23 0.00 0.00 0.00 178.15 179.39 3hov h GLY 1073N -1.00 -0.45 -0.02 5.37 0.00 -0.53 -3.02 103.07 103.42 3hov h GLY 1073Ca -0.21 0.37 0.11 0.00 0.00 0.00 0.00 47.33 47.59 3hov h GLY 1073CO -0.13 -0.22 -0.11 -2.09 0.00 0.00 0.00 176.54 173.99 3hov h GLU 1074N -0.42 0.02 0.00 4.80 4.22 -1.42 0.18 114.58 121.97 3hov h GLU 1074Ca 0.08 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.52 3hov h GLU 1074Cb 0.53 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3hov h GLU 1074CO -0.29 0.01 0.00 -1.00 -2.18 0.00 0.00 179.01 175.55 3hov h PRO 1075N 0.02 0.00 0.00 0.92 0.13 -1.72 -1.71 132.00 129.64 3hov h PRO 1075Ca 0.26 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.26 3hov h PRO 1075Cb 0.40 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.51 3hov h PRO 1075CO -0.52 0.00 -0.62 0.00 -0.23 0.00 0.00 178.00 176.62 3hov h ALA 1076N 2.22 0.64 -0.01 -0.56 0.00 -0.85 -3.13 119.26 117.57 3hov h ALA 1076Ca 0.00 -0.57 -0.10 0.00 0.00 0.00 0.00 54.91 54.24 3hov h ALA 1076Cb 0.33 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3hov h ALA 1076CO 0.00 0.78 -0.47 1.15 0.00 0.00 0.00 179.25 180.71 3hov h THR 1077N 0.00 1.34 -0.35 0.00 2.02 -0.87 -2.69 112.91 112.35 3hov h THR 1077Ca -0.01 -1.62 0.00 0.00 0.77 0.00 0.00 66.41 65.55 3hov h THR 1077Cb 1.42 1.86 0.00 0.00 -1.74 0.00 0.00 68.15 69.69 3hov h THR 1077CO 0.08 0.46 0.00 0.00 0.37 0.00 0.00 175.52 176.44 3hov n GLN 1078N -3.98 2.38 -2.78 6.66 1.13 -1.18 -4.79 117.38 114.83 3hov n GLN 1078Ca -0.02 -1.50 -0.43 0.00 -1.94 0.00 0.00 57.00 53.11 3hov n GLN 1078Cb 0.49 -1.55 -0.01 0.00 0.11 0.00 0.00 30.24 29.28 3hov n GLN 1078CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 3hov s MET 1079N -1.67 3.93 -1.18 -1.09 -1.94 -1.02 -4.92 119.30 111.43 3hov s MET 1079Ca 0.27 -2.11 -0.18 0.00 -1.71 0.00 0.00 55.69 51.96 3hov s MET 1079Cb 0.17 -5.24 0.10 0.00 2.01 0.00 0.00 34.83 31.87 3hov s MET 1079CO 0.14 -1.98 1.54 0.99 -0.01 0.00 0.00 175.02 175.69 3hov s THR 1080N 3.01 4.36 0.77 2.05 2.01 -1.26 -4.84 115.64 121.74 3hov s THR 1080Ca 0.45 -1.80 -0.09 0.00 0.31 0.00 0.00 61.69 60.56 3hov s THR 1080Cb -0.00 -5.06 0.09 0.00 0.01 0.00 0.00 72.50 67.54 3hov s THR 1080CO 0.00 -1.86 1.10 -0.76 -0.69 0.00 0.00 174.62 172.42 3hov s LEU 1081N 3.60 2.72 -1.46 4.42 1.43 -1.26 -5.17 118.68 122.94 3hov s LEU 1081Ca 0.47 0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 53.95 3hov s LEU 1081Cb 0.01 -2.99 0.06 0.00 0.03 0.00 0.00 46.19 43.30 3hov s LEU 1081CO 0.00 -1.85 0.80 0.29 0.23 0.00 0.00 176.35 175.82 3hov n LYS 1092N -3.14 -5.09 -3.20 1.70 5.02 -1.26 -5.14 118.16 107.04 3hov n LYS 1092Ca 0.09 0.65 -0.44 0.00 -2.02 0.00 0.00 58.31 56.59 3hov n LYS 1092Cb 0.60 -5.51 0.00 0.00 -0.02 0.00 0.00 35.03 30.11 3hov n LYS 1092CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3hov n LYS 1093N -4.35 3.90 -4.20 1.97 5.02 -1.26 -4.95 118.16 114.30 3hov n LYS 1093Ca -0.00 -4.48 -0.16 0.00 -2.02 0.00 0.00 58.31 51.64 3hov n LYS 1093Cb 0.55 -2.54 -0.14 0.00 -0.02 0.00 0.00 35.03 32.87 3hov n LYS 1093CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hov s VAL 1094N -1.82 0.47 -0.46 -0.18 1.01 -1.26 -4.98 120.40 113.18 3hov s VAL 1094Ca 0.31 -0.26 -0.42 0.00 0.00 0.00 0.00 61.98 61.62 3hov s VAL 1094Cb -0.04 -0.40 -0.17 0.00 0.00 0.00 0.00 36.38 35.77 3hov s VAL 1094CO -0.01 0.13 2.14 0.35 0.00 0.00 0.00 175.10 177.72 3hov n THR 1095N 2.93 0.05 -4.11 3.92 -2.24 -1.26 -4.92 114.28 108.65 3hov n THR 1095Ca -0.13 -0.07 -0.16 0.00 -2.27 0.00 0.00 64.05 61.43 3hov n THR 1095Cb 0.58 -0.81 -0.12 0.00 -2.10 0.00 0.00 70.33 67.89 3hov n THR 1095CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3hov s SER 1096N 6.28 1.24 0.00 3.42 1.04 -1.26 -4.62 113.70 119.81 3hov s SER 1096Ca 1.17 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 57.02 3hov s SER 1096Cb -1.33 -0.00 0.00 0.00 0.10 0.00 0.00 66.02 64.79 3hov s SER 1096CO 0.62 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 175.30 3hov n GLY 1097N 1.37 -1.57 0.35 7.32 0.00 -1.26 -4.41 105.19 106.99 3hov n GLY 1097Ca -0.22 -1.60 0.09 0.00 0.00 0.00 0.00 46.02 44.29 3hov n GLY 1097CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hov h VAL 1098N 0.00 0.02 -0.21 1.61 2.07 -1.90 0.24 116.25 118.07 3hov h VAL 1098Ca 0.00 -0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 3hov h VAL 1098Cb 0.00 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.77 3hov h VAL 1098CO 0.00 0.00 0.11 1.55 0.02 0.00 0.00 177.57 179.25 3hov h PRO 1099N 0.00 0.23 -0.51 1.57 0.13 -1.98 -1.66 132.00 129.79 3hov h PRO 1099Ca 0.51 -0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 65.55 3hov h PRO 1099Cb 0.88 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.94 3hov h PRO 1099CO -0.98 0.15 0.02 -0.09 -0.23 0.00 0.00 178.00 176.87 3hov h ARG 1100N 0.24 0.89 -0.99 0.86 9.65 -1.21 -1.31 114.38 122.51 3hov h ARG 1100Ca 0.08 -0.27 0.04 0.00 -1.10 0.00 0.00 59.98 58.74 3hov h ARG 1100Cb 0.01 -0.09 -0.06 0.00 -1.39 0.00 0.00 29.97 28.44 3hov h ARG 1100CO -0.05 0.90 0.65 1.25 2.80 0.00 0.00 179.97 185.52 3hov h LEU 1101N 0.76 1.06 -0.79 3.80 5.85 -0.47 0.22 115.31 125.74 3hov h LEU 1101Ca 0.15 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 3hov h LEU 1101Cb 0.49 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 3hov h LEU 1101CO 0.02 0.72 0.21 0.50 -0.34 0.00 0.00 178.44 179.55 3hov h LYS 1102N 1.23 1.12 0.26 1.25 3.64 -1.02 -1.85 116.57 121.20 3hov h LYS 1102Ca 0.40 -0.24 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 3hov h LYS 1102Cb 0.04 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 3hov h LYS 1102CO -0.13 0.96 -0.39 1.49 -2.27 0.00 0.00 179.45 179.12 3hov h GLU 1103N 1.08 -0.68 0.40 1.90 4.81 0.43 -2.80 114.58 119.71 3hov h GLU 1103Ca 0.23 0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.50 3hov h GLU 1103Cb 0.32 0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 3hov h GLU 1103CO -0.01 -0.46 -0.49 0.82 -0.73 0.00 0.00 179.01 178.15 3hov h ILE 1104N -0.71 0.04 -0.19 2.32 2.04 -0.19 -2.19 117.51 118.64 3hov h ILE 1104Ca -0.00 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.91 3hov h ILE 1104Cb 0.68 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 3hov h ILE 1104CO -0.14 0.00 0.31 -0.07 0.00 0.00 0.00 178.15 178.25 3hov h LEU 1105N -0.92 0.00 0.00 1.44 3.38 -1.39 0.17 115.31 117.99 3hov h LEU 1105Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3hov h LEU 1105Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3hov h LEU 1105CO -0.11 0.00 -0.41 0.59 0.09 0.00 0.00 178.44 178.59 3hov n ASN 1106N -3.43 0.56 -3.61 -0.43 3.02 -0.85 -0.99 115.26 109.53 3hov n ASN 1106Ca 0.02 0.14 -0.21 0.00 -0.03 0.00 0.00 54.58 54.50 3hov n ASN 1106Cb 0.43 -0.04 0.06 0.00 -0.61 0.00 0.00 39.78 39.61 3hov n ASN 1106CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3hov n VAL 1107N -1.87 -4.76 -1.83 2.41 0.31 0.59 -4.82 118.33 108.37 3hov n VAL 1107Ca 0.05 -0.43 -0.42 0.00 -0.01 0.00 0.00 64.34 63.53 3hov n VAL 1107Cb 0.39 -4.17 -0.03 0.00 -0.91 0.00 0.00 33.84 29.12 3hov n VAL 1107CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hov s ALA 1108N -3.51 3.75 0.06 3.52 0.00 -1.10 -4.93 121.76 119.56 3hov s ALA 1108Ca 0.09 1.36 -0.12 0.00 0.00 0.00 0.00 51.96 53.28 3hov s ALA 1108Cb -0.04 -3.71 -0.27 0.00 0.00 0.00 0.00 23.12 19.09 3hov s ALA 1108CO 0.78 -1.10 1.12 -0.22 0.00 0.00 0.00 175.76 176.34 3hov h LYS 1109N 8.12 0.55 -1.88 0.00 1.63 -1.93 -3.36 116.57 119.71 3hov h LYS 1109Ca -0.44 -0.76 -0.75 0.00 -0.85 0.00 0.00 60.65 57.85 3hov h LYS 1109Cb 1.21 0.25 -0.28 0.00 -0.60 0.00 0.00 32.23 32.81 3hov h LYS 1109CO 0.94 1.34 0.97 0.09 -3.45 0.00 0.00 179.45 179.34 3hov n ASN 1110N -3.74 7.43 -4.28 4.20 5.03 -1.26 -5.04 115.26 117.60 3hov n ASN 1110Ca -0.13 -3.83 -0.39 0.00 0.87 0.00 0.00 54.58 51.11 3hov n ASN 1110Cb 0.99 -1.03 0.02 0.00 -1.02 0.00 0.00 39.78 38.73 3hov n ASN 1110CO 0.00 0.00 0.00 1.15 -1.83 0.00 0.00 177.26 176.58 3hov n MET 1111N -0.57 0.09 0.00 3.52 0.00 -1.26 -4.98 117.12 113.93 3hov n MET 1111Ca 0.54 0.04 0.00 0.00 0.00 0.00 0.00 57.70 58.28 3hov n MET 1111Cb 0.29 -1.14 0.00 0.00 0.00 0.00 0.00 33.22 32.37 3hov n MET 1111CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 3hov n LYS 1112N 1.23 0.00 -1.48 3.17 5.02 -1.26 -4.51 118.16 120.33 3hov n LYS 1112Ca 0.08 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.94 3hov n LYS 1112Cb 0.48 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.39 3hov n LYS 1112CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3hov n THR 1113N 0.00 0.02 -2.88 -0.18 -1.04 -1.26 -4.85 114.28 104.09 3hov n THR 1113Ca 0.00 -0.29 -0.30 0.00 -2.04 0.00 0.00 64.05 61.42 3hov n THR 1113Cb 0.00 -1.44 -0.03 0.00 -1.82 0.00 0.00 70.33 67.04 3hov n THR 1113CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3hov n PRO 1114N 8.50 3.66 -0.20 -2.82 -0.04 -1.26 -4.69 135.00 138.14 3hov n PRO 1114Ca 0.51 -4.83 -0.16 0.00 -0.04 0.00 0.00 63.50 58.98 3hov n PRO 1114Cb 0.22 -2.28 0.15 0.00 -0.04 0.00 0.00 33.50 31.55 3hov n PRO 1114CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3hov n SER 1115N -0.22 -2.89 -3.40 3.54 2.88 -1.26 -3.61 113.62 108.66 3hov n SER 1115Ca 0.34 -0.55 0.02 0.00 -1.33 0.00 0.00 58.87 57.35 3hov n SER 1115Cb 0.37 -0.54 -0.03 0.00 -0.75 0.00 0.00 64.21 63.26 3hov n SER 1115CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 3hov s LEU 1116N 0.00 -0.83 -0.22 2.46 0.05 -1.26 -3.64 118.68 115.24 3hov s LEU 1116Ca 0.37 0.95 -0.19 0.00 0.05 0.00 0.00 54.13 55.31 3hov s LEU 1116Cb -0.06 1.87 -0.03 0.00 -2.05 0.00 0.00 46.19 45.92 3hov s LEU 1116CO 0.30 -0.16 0.54 -0.89 -0.55 0.00 0.00 176.35 175.60 3hov s THR 1117N 2.69 5.08 -0.16 5.48 2.01 0.14 -0.81 115.64 130.06 3hov s THR 1117Ca 0.00 0.99 -0.02 0.00 0.31 0.00 0.00 61.69 62.97 3hov s THR 1117Cb -0.09 -3.86 -0.02 0.00 0.01 0.00 0.00 72.50 68.54 3hov s THR 1117CO -0.18 0.14 -0.08 0.68 -0.69 0.00 0.00 174.62 174.49 3hov s VAL 1118N 1.88 3.35 -0.09 3.82 -7.23 0.72 -1.12 120.40 121.73 3hov s VAL 1118Ca 0.24 -0.54 -0.12 0.00 -1.81 0.00 0.00 61.98 59.75 3hov s VAL 1118Cb -0.16 -2.46 -0.05 0.00 0.56 0.00 0.00 36.38 34.28 3hov s VAL 1118CO 0.09 0.49 0.30 -0.31 -0.31 0.00 0.00 175.10 175.36 3hov s TYR 1119N 0.66 3.61 0.00 2.82 1.51 -1.26 -1.48 117.35 123.21 3hov s TYR 1119Ca -0.05 0.74 0.00 0.00 -1.01 0.00 0.00 57.07 56.75 3hov s TYR 1119Cb -0.15 -2.21 0.00 0.00 -0.11 0.00 0.00 41.96 39.49 3hov s TYR 1119CO 0.02 0.54 0.00 1.47 -1.11 0.00 0.00 175.55 176.47 3hov n LEU 1120N 2.45 0.00 -4.82 -1.29 -0.00 -1.26 -0.29 117.00 111.79 3hov n LEU 1120Ca -0.15 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.55 3hov n LEU 1120Cb 0.53 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.89 3hov n LEU 1120CO 0.36 -0.61 -0.23 -0.70 -0.00 0.00 0.00 177.39 176.22 3hov s GLU 1121N -0.24 3.05 0.00 1.47 2.12 -0.63 0.96 118.70 125.43 3hov s GLU 1121Ca 0.00 -0.61 0.00 0.00 0.36 0.00 0.00 54.97 54.72 3hov s GLU 1121Cb 0.00 -2.82 0.00 0.00 0.26 0.00 0.00 34.13 31.57 3hov s GLU 1121CO 0.00 0.58 0.01 -2.30 -0.54 0.00 0.00 175.26 173.01 3hov n PRO 1122N 0.41 0.00 0.00 4.30 -0.02 -1.26 -3.28 135.00 135.16 3hov n PRO 1122Ca -0.08 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 3hov n PRO 1122Cb 0.51 -0.03 0.00 0.00 -0.02 0.00 0.00 33.50 33.96 3hov n PRO 1122CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hov n GLY 1123N -0.46 -2.00 3.18 -1.23 0.00 -1.26 -4.25 105.19 99.17 3hov n GLY 1123Ca 0.00 0.15 -0.05 0.00 0.00 0.00 0.00 46.02 46.12 3hov n GLY 1123CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3hov n HIS 1124N -0.28 0.22 -0.09 1.61 -0.00 -1.20 -4.60 115.22 110.87 3hov n HIS 1124Ca 0.00 -0.03 -0.15 0.00 -0.00 0.00 0.00 57.72 57.54 3hov n HIS 1124Cb 0.00 -0.99 -0.05 0.00 -0.00 0.00 0.00 29.99 28.95 3hov n HIS 1124CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3hov n ALA 1125N 8.18 1.26 0.88 1.59 0.00 -1.26 -4.19 120.51 126.96 3hov n ALA 1125Ca 0.16 -0.82 0.05 0.00 0.00 0.00 0.00 53.44 52.83 3hov n ALA 1125Cb 0.46 0.11 0.15 0.00 0.00 0.00 0.00 19.45 20.17 3hov n ALA 1125CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hov n ALA 1126N -4.24 2.50 -1.19 0.00 0.00 -1.26 -1.93 120.51 114.38 3hov n ALA 1126Ca -0.26 -0.61 -0.40 0.00 0.00 0.00 0.00 53.44 52.17 3hov n ALA 1126Cb 0.61 -0.98 -0.07 0.00 0.00 0.00 0.00 19.45 19.00 3hov n ALA 1126CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3hov n ASP 1127N 0.46 2.26 -0.21 0.00 2.03 -1.26 -4.78 116.55 115.05 3hov n ASP 1127Ca 0.11 -2.64 0.06 0.00 0.52 0.00 0.00 54.79 52.84 3hov n ASP 1127Cb 0.31 -1.12 0.13 0.00 -0.72 0.00 0.00 41.12 39.72 3hov n ASP 1127CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 3hov n GLN 1128N 7.46 -0.05 -0.05 -0.67 -0.06 -1.26 -0.07 117.38 122.67 3hov n GLN 1128Ca 0.48 0.92 -0.13 0.00 -2.00 0.00 0.00 57.00 56.27 3hov n GLN 1128Cb 0.42 -1.42 -0.07 0.00 -4.06 0.00 0.00 30.24 25.11 3hov n GLN 1128CO 0.00 0.00 0.00 0.93 -0.20 0.00 0.00 177.06 177.79 3hov h GLU 1129N 0.00 0.29 -0.86 3.69 4.39 -2.00 -3.01 114.58 117.09 3hov h GLU 1129Ca 0.33 -0.14 0.25 0.00 0.34 0.00 0.00 59.36 60.13 3hov h GLU 1129Cb 0.59 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.20 3hov h GLU 1129CO -0.60 0.66 0.74 0.37 -1.16 0.00 0.00 179.01 179.02 3hov h GLN 1130N -0.08 0.00 0.14 2.33 5.75 -0.88 -1.30 115.11 121.06 3hov h GLN 1130Ca 0.02 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.52 3hov h GLN 1130Cb 0.59 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.15 3hov h GLN 1130CO 0.03 0.00 -0.07 0.00 -2.65 0.00 0.00 178.83 176.14 3hov h ALA 1131N 1.34 -0.80 -1.00 3.38 0.00 -1.35 -2.67 119.26 118.16 3hov h ALA 1131Ca 0.41 -0.04 0.31 0.00 0.00 0.00 0.00 54.91 55.59 3hov h ALA 1131Cb 1.88 0.07 -0.18 0.00 0.00 0.00 0.00 17.79 19.55 3hov h ALA 1131CO -0.00 -0.79 0.15 0.87 0.00 0.00 0.00 179.25 179.48 3hov h LYS 1132N -0.23 0.00 -0.76 0.00 1.57 -1.31 0.60 116.57 116.44 3hov h LYS 1132Ca -0.02 -0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.86 3hov h LYS 1132Cb 0.14 -0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.38 3hov h LYS 1132CO 0.03 0.00 0.40 -0.07 -0.57 0.00 0.00 179.45 179.25 3hov h LEU 1133N 0.00 0.54 0.24 2.94 3.38 -1.28 -0.54 115.31 120.60 3hov h LEU 1133Ca 0.66 0.06 -0.33 0.00 0.09 0.00 0.00 57.88 58.36 3hov h LEU 1133Cb 1.49 -0.04 0.03 0.00 0.09 0.00 0.00 40.66 42.23 3hov h LEU 1133CO -0.89 0.30 -1.48 0.40 0.09 0.00 0.00 178.44 176.86 3hov h ILE 1134N 0.67 1.28 -0.55 1.22 2.04 0.46 -3.13 117.51 119.50 3hov h ILE 1134Ca 0.38 -2.73 0.11 0.00 1.00 0.00 0.00 64.86 63.61 3hov h ILE 1134Cb 0.39 3.01 -0.11 0.00 -0.74 0.00 0.00 36.82 39.37 3hov h ILE 1134CO -0.27 0.82 -0.20 -0.09 0.00 0.00 0.00 178.15 178.42 3hov h ARG 1135N 0.14 -0.07 -0.14 2.37 2.43 -0.65 0.70 114.38 119.16 3hov h ARG 1135Ca -0.25 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 3hov h ARG 1135Cb 2.14 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.71 3hov h ARG 1135CO 0.26 -0.05 0.00 0.43 -1.51 0.00 0.00 179.97 179.10 3hov n SER 1136N -5.42 0.14 -0.00 -3.80 7.64 -0.24 -1.56 113.62 110.38 3hov n SER 1136Ca 0.05 -1.70 0.03 0.00 1.01 0.00 0.00 58.87 58.27 3hov n SER 1136Cb 0.32 -0.07 -0.04 0.00 -1.01 0.00 0.00 64.21 63.41 3hov n SER 1136CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hov n ALA 1137N -0.41 2.68 0.00 -0.43 0.00 0.24 -4.57 120.51 118.01 3hov n ALA 1137Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3hov n ALA 1137Cb 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.24 3hov n ALA 1137CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3hov n ILE 1138N -1.34 0.00 -0.85 0.00 -5.35 -0.92 -4.00 119.36 106.89 3hov n ILE 1138Ca 0.00 0.00 -0.38 0.00 -0.27 0.00 0.00 62.75 62.11 3hov n ILE 1138Cb 0.13 -0.61 -0.11 0.00 -1.74 0.00 0.00 39.64 37.31 3hov n ILE 1138CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 3hov n GLU 1139N -2.12 0.23 0.00 6.28 2.13 -0.60 0.18 120.64 126.74 3hov n GLU 1139Ca 0.00 -1.29 0.00 0.00 0.66 0.00 0.00 57.16 56.53 3hov n GLU 1139Cb 0.43 -2.90 0.00 0.00 0.27 0.00 0.00 31.44 29.24 3hov n GLU 1139CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 3hov n HIS 1140N 11.40 0.00 -4.19 4.31 -0.00 -0.91 -4.44 115.22 121.40 3hov n HIS 1140Ca 0.46 0.00 -0.21 0.00 -0.00 0.00 0.00 57.72 57.97 3hov n HIS 1140Cb 0.43 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.26 3hov n HIS 1140CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 3hov s THR 1141N 0.00 0.63 0.13 3.57 2.01 -0.59 -4.89 115.64 116.51 3hov s THR 1141Ca 0.00 -0.16 0.07 0.00 0.31 0.00 0.00 61.69 61.90 3hov s THR 1141Cb 0.00 -0.65 -0.04 0.00 0.01 0.00 0.00 72.50 71.82 3hov s THR 1141CO 0.00 0.25 -0.03 0.42 -0.69 0.00 0.00 174.62 174.57 3hov s THR 1142N 0.98 3.68 0.37 -0.82 -4.23 -1.26 0.10 115.64 114.46 3hov s THR 1142Ca -0.10 -1.27 0.14 0.00 -1.18 0.00 0.00 61.69 59.28 3hov s THR 1142Cb -0.14 -2.78 0.36 0.00 1.34 0.00 0.00 72.50 71.27 3hov s THR 1142CO -0.00 0.02 1.79 0.25 -0.54 0.00 0.00 174.62 176.14 3hov h LEU 1143N 3.18 0.55 -1.14 4.79 5.85 -1.66 0.65 115.31 127.53 3hov h LEU 1143Ca -0.48 0.08 0.09 0.00 0.84 0.00 0.00 57.88 58.41 3hov h LEU 1143Cb 1.18 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 42.13 3hov h LEU 1143CO 0.57 0.17 0.59 0.50 -0.34 0.00 0.00 178.44 179.93 3hov h LYS 1144N 0.52 0.94 0.00 1.25 3.64 -1.78 -1.77 116.57 119.38 3hov h LYS 1144Ca 0.56 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.88 3hov h LYS 1144Cb 1.21 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 3hov h LYS 1144CO -0.30 0.62 0.00 0.66 -2.27 0.00 0.00 179.45 178.17 3hov h SER 1145N 0.97 0.00 0.00 4.20 4.64 -1.19 -3.02 113.55 119.15 3hov h SER 1145Ca 0.42 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.63 3hov h SER 1145Cb 0.33 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 3hov h SER 1145CO -0.18 0.00 -1.66 1.33 -0.87 0.00 0.00 176.83 175.45 3hov n VAL 1146N -2.37 0.42 -2.08 0.95 0.24 -0.71 -4.91 118.33 109.87 3hov n VAL 1146Ca -0.00 -0.38 -0.42 0.00 -2.04 0.00 0.00 64.34 61.50 3hov n VAL 1146Cb 0.11 -0.29 -0.03 0.00 -1.47 0.00 0.00 33.84 32.16 3hov n VAL 1146CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3hov s THR 1147N -2.51 3.41 -0.25 3.34 2.01 -0.93 0.30 115.64 121.02 3hov s THR 1147Ca -0.05 0.81 0.21 0.00 0.31 0.00 0.00 61.69 62.97 3hov s THR 1147Cb 0.05 -3.52 0.05 0.00 0.01 0.00 0.00 72.50 69.09 3hov s THR 1147CO 0.47 -0.01 1.15 0.40 -0.69 0.00 0.00 174.62 175.94 3hov h ILE 1148N 4.92 0.14 0.00 1.82 2.04 0.85 -3.46 117.51 123.82 3hov h ILE 1148Ca -0.40 -1.25 0.00 0.00 1.00 0.00 0.00 64.86 64.21 3hov h ILE 1148Cb 1.19 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 39.02 3hov h ILE 1148CO 0.92 0.08 0.00 0.00 0.00 0.00 0.00 178.15 179.15 3hov n ALA 1149N -2.20 0.00 -2.58 1.87 0.00 -1.19 -5.00 120.51 111.41 3hov n ALA 1149Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 3hov n ALA 1149Cb 0.61 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.95 3hov n ALA 1149CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hov s SER 1150N 0.00 3.83 -0.22 0.00 1.04 -1.26 -1.35 113.70 115.73 3hov s SER 1150Ca 0.00 -1.27 -0.18 0.00 0.48 0.00 0.00 55.95 54.98 3hov s SER 1150Cb 0.00 -0.38 0.06 0.00 0.10 0.00 0.00 66.02 65.80 3hov s SER 1150CO 0.00 -0.32 0.58 -1.61 0.98 0.00 0.00 173.24 172.87 3hov s GLU 1151N -3.66 0.65 -0.25 4.02 2.02 0.82 -4.98 118.70 117.32 3hov s GLU 1151Ca 0.34 0.87 -0.09 0.00 0.02 0.00 0.00 54.97 56.12 3hov s GLU 1151Cb 0.06 0.26 -0.04 0.00 0.10 0.00 0.00 34.13 34.51 3hov s GLU 1151CO 0.17 -0.10 0.11 0.42 0.02 0.00 0.00 175.26 175.88 3hov s ILE 1152N 0.64 4.70 0.33 -1.63 1.01 -1.26 0.10 121.20 125.08 3hov s ILE 1152Ca -0.03 -0.04 0.09 0.00 0.00 0.00 0.00 60.65 60.67 3hov s ILE 1152Cb -0.05 -3.20 -0.05 0.00 0.01 0.00 0.00 42.46 39.17 3hov s ILE 1152CO -0.04 0.33 -0.00 -0.31 0.00 0.00 0.00 174.94 174.92 3hov s TYR 1153N 1.49 2.54 -0.42 3.97 1.51 0.15 -4.95 117.35 121.63 3hov s TYR 1153Ca 0.06 -0.41 -0.06 0.00 -1.01 0.00 0.00 57.07 55.65 3hov s TYR 1153Cb -0.15 -1.43 0.10 0.00 -0.11 0.00 0.00 41.96 40.37 3hov s TYR 1153CO 0.06 0.51 0.24 -0.47 -1.11 0.00 0.00 175.55 174.77 3hov s TYR 1154N -2.50 3.47 -0.36 2.71 5.04 -1.26 -0.24 117.35 124.21 3hov s TYR 1154Ca 0.34 -2.05 -0.00 0.00 -2.44 0.00 0.00 57.07 52.91 3hov s TYR 1154Cb -0.01 -3.19 0.12 0.00 0.35 0.00 0.00 41.96 39.24 3hov s TYR 1154CO 0.19 -0.95 0.18 0.34 -1.34 0.00 0.00 175.55 173.97 3hov s ASP 1155N 2.10 3.51 0.16 4.32 -1.08 -0.53 -4.89 116.67 120.26 3hov s ASP 1155Ca 0.06 -2.03 0.24 0.00 -0.52 0.00 0.00 52.55 50.30 3hov s ASP 1155Cb -0.24 -0.68 0.91 0.00 -1.46 0.00 0.00 42.92 41.46 3hov s ASP 1155CO -0.02 -0.35 1.74 -0.81 0.52 0.00 0.00 175.17 176.26 3hov n PRO 1156N 4.30 0.16 -3.26 4.34 -0.04 -1.21 -4.40 135.00 134.90 3hov n PRO 1156Ca 0.05 0.25 -0.46 0.00 -0.04 0.00 0.00 63.50 63.29 3hov n PRO 1156Cb 0.38 -1.74 -0.04 0.00 -0.04 0.00 0.00 33.50 32.07 3hov n PRO 1156CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3hov s ASP 1157N -3.99 6.31 0.00 3.54 2.15 -1.26 -4.75 116.67 118.67 3hov s ASP 1157Ca 0.09 -1.90 0.00 0.00 0.43 0.00 0.00 52.55 51.17 3hov s ASP 1157Cb 0.12 -2.23 0.00 0.00 -0.30 0.00 0.00 42.92 40.51 3hov s ASP 1157CO 0.48 -0.86 0.38 -0.81 -0.17 0.00 0.00 175.17 174.18 3hov n PRO 1158N 5.27 0.28 -0.19 4.34 -0.04 -1.26 -2.31 135.00 141.08 3hov n PRO 1158Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 3hov n PRO 1158Cb 0.42 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 3hov n PRO 1158CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3hov n ARG 1159N 1.21 0.00 0.00 0.54 1.74 -1.26 -5.08 116.66 113.80 3hov n ARG 1159Ca 0.00 -0.39 0.00 0.00 -0.77 0.00 0.00 57.85 56.69 3hov n ARG 1159Cb 0.14 -0.28 0.00 0.00 -1.02 0.00 0.00 32.46 31.29 3hov n ARG 1159CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3hov n SER 1160N 0.00 0.00 -4.91 0.55 3.41 -0.98 -4.86 113.62 106.83 3hov n SER 1160Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.34 3hov n SER 1160Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 3hov n SER 1160CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3hov s THR 1161N -0.01 4.80 -1.81 6.66 2.01 -1.26 -4.56 115.64 121.46 3hov s THR 1161Ca 0.00 0.19 0.29 0.00 0.31 0.00 0.00 61.69 62.48 3hov s THR 1161Cb 0.00 -3.83 0.51 0.00 0.01 0.00 0.00 72.50 69.19 3hov s THR 1161CO 0.00 -0.82 1.87 0.52 -0.69 0.00 0.00 174.62 175.50 3hov n VAL 1162N -2.30 0.00 -4.06 3.82 0.31 -1.26 -4.70 118.33 110.14 3hov n VAL 1162Ca 0.01 -0.08 -0.35 0.00 -0.01 0.00 0.00 64.34 63.91 3hov n VAL 1162Cb 0.55 -0.03 -0.12 0.00 -0.91 0.00 0.00 33.84 33.33 3hov n VAL 1162CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3hov s ILE 1163N -2.35 4.16 0.11 2.52 1.01 -1.26 -5.03 121.20 120.36 3hov s ILE 1163Ca 0.32 -0.24 -0.21 0.00 0.00 0.00 0.00 60.65 60.52 3hov s ILE 1163Cb 0.20 -2.88 -0.09 0.00 0.01 0.00 0.00 42.46 39.70 3hov s ILE 1163CO 0.45 0.43 1.75 1.55 0.00 0.00 0.00 174.94 179.11 3hov h PRO 1164N 7.35 0.10 -0.31 2.79 0.13 -2.01 -2.96 132.00 137.09 3hov h PRO 1164Ca -0.36 -0.01 0.07 0.00 -0.87 0.00 0.00 66.00 64.84 3hov h PRO 1164Cb 1.18 -0.02 -0.07 0.00 0.13 0.00 0.00 31.00 32.21 3hov h PRO 1164CO 0.62 0.07 -0.15 1.05 -0.23 0.00 0.00 178.00 179.36 3hov h GLU 1165N 0.11 -0.10 0.00 0.86 4.11 -1.98 -0.56 114.58 117.01 3hov h GLU 1165Ca 0.05 0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.49 3hov h GLU 1165Cb 0.02 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3hov h GLU 1165CO -0.05 -0.07 0.00 -0.25 0.07 0.00 0.00 179.01 178.71 3hov n ASP 1166N -5.33 0.56 -0.32 3.06 9.92 -1.19 -3.62 116.55 119.64 3hov n ASP 1166Ca 0.01 0.67 0.01 0.00 -0.53 0.00 0.00 54.79 54.95 3hov n ASP 1166Cb 0.24 -0.78 0.08 0.00 -0.64 0.00 0.00 41.12 40.02 3hov n ASP 1166CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 3hov h GLU 1167N 0.00 -0.02 0.00 -1.24 4.39 -0.92 -2.76 114.58 114.02 3hov h GLU 1167Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3hov h GLU 1167Cb 0.24 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 3hov h GLU 1167CO 0.00 -0.02 0.00 -1.91 -1.16 0.00 0.00 179.01 175.92 3hov n GLU 1168N -5.53 0.00 -0.45 2.33 4.07 -1.24 -3.29 120.64 116.54 3hov n GLU 1168Ca 0.11 0.52 0.34 0.00 -0.06 0.00 0.00 57.16 58.07 3hov n GLU 1168Cb 0.42 -1.22 0.53 0.00 -0.06 0.00 0.00 31.44 31.11 3hov n GLU 1168CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 3hov n ILE 1169N -1.58 0.00 0.01 6.31 5.41 -1.04 -3.19 119.36 125.28 3hov n ILE 1169Ca 0.00 0.98 -0.01 0.00 1.00 0.00 0.00 62.75 64.72 3hov n ILE 1169Cb 0.00 -1.64 -0.00 0.00 -0.71 0.00 0.00 39.64 37.28 3hov n ILE 1169CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3hov h ILE 1170N 0.00 0.00 -1.02 1.39 5.03 -1.60 -3.14 117.51 118.16 3hov h ILE 1170Ca 0.60 -0.18 0.27 0.00 -0.12 0.00 0.00 64.86 65.43 3hov h ILE 1170Cb 2.48 0.00 -0.07 0.00 -3.03 0.00 0.00 36.82 36.20 3hov h ILE 1170CO -0.01 0.00 0.69 0.06 -0.68 0.00 0.00 178.15 178.22 3hov h GLN 1171N -0.24 0.22 -0.32 2.37 -0.00 -1.71 0.51 115.11 115.94 3hov h GLN 1171Ca -0.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.62 3hov h GLN 1171Cb 0.04 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 27.46 3hov h GLN 1171CO 0.01 0.15 0.16 -0.07 -0.00 0.00 0.00 178.83 179.07 3hov h LEU 1172N 0.23 0.41 -4.64 0.06 3.38 -1.70 -2.79 115.31 110.26 3hov h LEU 1172Ca 0.53 -0.12 -0.49 0.00 0.09 0.00 0.00 57.88 57.90 3hov h LEU 1172Cb 1.66 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.29 3hov h LEU 1172CO -0.16 0.42 2.18 1.57 0.09 0.00 0.00 178.44 182.54 3hov n HIS 1173N -4.77 1.51 0.00 1.13 -0.00 0.18 -1.95 115.22 111.32 3hov n HIS 1173Ca -0.01 -2.47 0.00 0.00 0.46 0.00 0.00 57.72 55.69 3hov n HIS 1173Cb 0.10 -2.13 0.00 0.00 -0.12 0.00 0.00 29.99 27.84 3hov n HIS 1173CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 3hov n PHE 1174N 3.08 0.00 -0.06 1.57 0.99 -1.05 -4.95 117.46 117.03 3hov n PHE 1174Ca 0.65 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 58.01 3hov n PHE 1174Cb 0.49 0.00 0.05 0.00 -1.00 0.00 0.00 39.48 39.02 3hov n PHE 1174CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 3hov n SER 1175N -0.46 4.22 0.00 4.37 7.64 -0.82 -5.14 113.62 123.43 3hov n SER 1175Ca 0.00 -2.62 0.00 0.00 1.01 0.00 0.00 58.87 57.26 3hov n SER 1175Cb 0.00 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 3hov n SER 1175CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hov n GLN 1187N 0.25 0.00 -2.69 1.43 10.64 -1.26 -5.03 117.38 120.72 3hov n GLN 1187Ca 0.19 0.00 -0.19 0.00 -1.83 0.00 0.00 57.00 55.17 3hov n GLN 1187Cb 0.76 0.00 0.08 0.00 -0.86 0.00 0.00 30.24 30.22 3hov n GLN 1187CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 3hov n GLN 1188N 0.00 0.36 -3.69 2.61 6.02 -1.26 -2.56 117.38 118.86 3hov n GLN 1188Ca 0.00 -2.78 -0.34 0.00 -0.01 0.00 0.00 57.00 53.87 3hov n GLN 1188Cb 0.00 -0.38 -0.05 0.00 1.02 0.00 0.00 30.24 30.83 3hov n GLN 1188CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3hov s SER 1189N -4.53 6.54 0.26 1.08 0.15 -1.22 -4.92 113.70 111.05 3hov s SER 1189Ca 0.59 0.63 0.25 0.00 0.70 0.00 0.00 55.95 58.12 3hov s SER 1189Cb -0.04 -2.11 0.69 0.00 -1.71 0.00 0.00 66.02 62.84 3hov s SER 1189CO 0.38 0.20 1.72 1.55 1.20 0.00 0.00 173.24 178.29 3hov h PRO 1190N 3.72 0.00 -5.96 5.44 0.13 -1.86 -3.44 132.00 130.03 3hov h PRO 1190Ca -0.49 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.06 3hov h PRO 1190Cb 1.19 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 3hov h PRO 1190CO 0.67 0.00 0.56 -1.58 -0.23 0.00 0.00 178.00 177.42 3hov s TRP 1191N -3.13 3.37 -0.13 1.56 0.52 -1.26 -1.46 118.94 118.41 3hov s TRP 1191Ca 0.10 1.31 -0.06 0.00 0.02 0.00 0.00 56.10 57.46 3hov s TRP 1191Cb 0.11 -3.12 -0.04 0.00 -1.15 0.00 0.00 33.47 29.27 3hov s TRP 1191CO 0.62 -0.37 0.09 -1.17 0.02 0.00 0.00 176.95 176.14 3hov s LEU 1192N 2.70 4.08 -0.24 2.99 2.96 0.66 -4.63 118.68 127.20 3hov s LEU 1192Ca 0.40 0.30 -0.02 0.00 -0.22 0.00 0.00 54.13 54.58 3hov s LEU 1192Cb -0.16 -1.99 0.01 0.00 0.50 0.00 0.00 46.19 44.55 3hov s LEU 1192CO 0.09 0.34 -0.06 -0.22 -1.32 0.00 0.00 176.35 175.18 3hov s LEU 1193N -0.60 3.07 -0.13 -0.68 2.96 -0.67 0.31 118.68 122.93 3hov s LEU 1193Ca 0.12 -0.70 0.03 0.00 -0.22 0.00 0.00 54.13 53.36 3hov s LEU 1193Cb -0.12 -1.69 0.01 0.00 0.50 0.00 0.00 46.19 44.89 3hov s LEU 1193CO 0.02 -0.09 -0.22 -0.60 -1.32 0.00 0.00 176.35 174.14 3hov s ARG 1194N 1.38 3.04 -0.12 1.98 3.52 0.11 -0.91 118.95 127.95 3hov s ARG 1194Ca 0.02 -0.86 0.01 0.00 -0.13 0.00 0.00 55.73 54.78 3hov s ARG 1194Cb -0.16 -2.41 -0.01 0.00 -1.56 0.00 0.00 34.95 30.81 3hov s ARG 1194CO -0.04 0.04 -0.15 -0.51 -0.81 0.00 0.00 175.30 173.82 3hov s LEU 1195N 0.69 2.58 -0.36 -0.88 1.43 -0.68 -0.13 118.68 121.33 3hov s LEU 1195Ca -0.10 -0.37 -0.07 0.00 -1.03 0.00 0.00 54.13 52.56 3hov s LEU 1195Cb -0.16 -1.56 0.05 0.00 0.03 0.00 0.00 46.19 44.55 3hov s LEU 1195CO 0.01 0.18 0.15 -0.70 0.23 0.00 0.00 176.35 176.22 3hov s GLU 1196N 0.27 2.59 0.55 1.70 2.12 -0.46 -1.61 118.70 123.87 3hov s GLU 1196Ca -0.11 -1.28 -0.08 0.00 0.36 0.00 0.00 54.97 53.86 3hov s GLU 1196Cb -0.16 -3.56 -0.04 0.00 0.26 0.00 0.00 34.13 30.64 3hov s GLU 1196CO 0.06 -0.76 0.91 -0.51 -0.54 0.00 0.00 175.26 174.42 3hov s LEU 1197N 1.40 3.42 -0.11 2.70 1.43 -1.10 0.13 118.68 126.56 3hov s LEU 1197Ca 0.00 1.15 -0.12 0.00 -1.03 0.00 0.00 54.13 54.13 3hov s LEU 1197Cb -0.20 -4.14 -0.05 0.00 0.03 0.00 0.00 46.19 41.83 3hov s LEU 1197CO 0.02 -0.74 0.27 -0.62 0.23 0.00 0.00 176.35 175.51 3hov s ASP 1198N -4.15 6.52 0.04 2.29 2.15 0.15 -4.52 116.67 119.14 3hov s ASP 1198Ca 0.51 0.61 -0.29 0.00 0.43 0.00 0.00 52.55 53.81 3hov s ASP 1198Cb -0.11 -2.16 -0.17 0.00 -0.30 0.00 0.00 42.92 40.18 3hov s ASP 1198CO 0.49 0.26 1.43 0.03 -0.17 0.00 0.00 175.17 177.21 3hov h ARG 1199N 5.62 -0.72 -0.78 4.34 3.08 -1.97 -2.04 114.38 121.91 3hov h ARG 1199Ca -0.48 0.05 0.15 0.00 0.07 0.00 0.00 59.98 59.77 3hov h ARG 1199Cb 1.20 0.16 -0.15 0.00 0.08 0.00 0.00 29.97 31.27 3hov h ARG 1199CO 0.67 -0.43 -0.22 0.00 -1.07 0.00 0.00 179.97 178.92 3hov h ALA 1200N -0.54 0.45 -0.68 0.04 0.00 -1.98 0.23 119.26 116.78 3hov h ALA 1200Ca -0.08 0.29 0.01 0.00 0.00 0.00 0.00 54.91 55.13 3hov h ALA 1200Cb 0.63 0.63 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 3hov h ALA 1200CO 0.13 -0.44 0.45 0.00 0.00 0.00 0.00 179.25 179.39 3hov h ALA 1201N 1.70 1.52 0.00 0.00 0.00 -1.89 -1.13 119.26 119.45 3hov h ALA 1201Ca 0.36 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3hov h ALA 1201Cb 0.57 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3hov h ALA 1201CO -0.81 0.45 0.00 -1.33 0.00 0.00 0.00 179.25 177.56 3hov n MET 1202N -4.43 0.94 0.00 0.00 2.00 0.77 -3.29 117.12 113.11 3hov n MET 1202Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.77 3hov n MET 1202Cb 0.04 -1.17 0.00 0.00 0.00 0.00 0.00 33.22 32.09 3hov n MET 1202CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 3hov n ASN 1203N -0.31 0.00 -0.25 7.83 3.02 -0.46 -1.20 115.26 123.89 3hov n ASN 1203Ca 0.00 0.00 0.20 0.00 -0.03 0.00 0.00 54.58 54.75 3hov n ASN 1203Cb 0.08 -0.06 0.38 0.00 -0.61 0.00 0.00 39.78 39.57 3hov n ASN 1203CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3hov n ASP 1204N -2.30 0.16 -3.95 6.41 -0.08 -0.99 0.83 116.55 116.62 3hov n ASP 1204Ca 0.00 1.27 -0.34 0.00 -1.51 0.00 0.00 54.79 54.21 3hov n ASP 1204Cb 0.00 -0.57 -0.07 0.00 2.34 0.00 0.00 41.12 42.82 3hov n ASP 1204CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3hov n LYS 1205N -4.82 2.61 0.00 -0.67 5.02 -1.21 -5.03 118.16 114.07 3hov n LYS 1205Ca 0.25 -4.52 0.00 0.00 -2.02 0.00 0.00 58.31 52.02 3hov n LYS 1205Cb 0.86 -2.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.50 3hov n LYS 1205CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3hov n ASP 1206N 1.92 0.00 -3.95 4.39 8.00 0.24 -4.67 116.55 122.48 3hov n ASP 1206Ca 0.23 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.63 3hov n ASP 1206Cb 0.37 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.36 3hov n ASP 1206CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hov s LEU 1207N 0.00 2.10 -0.00 0.64 1.43 -0.34 -4.95 118.68 117.55 3hov s LEU 1207Ca 0.00 -0.41 0.08 0.00 -1.03 0.00 0.00 54.13 52.76 3hov s LEU 1207Cb 0.00 0.20 -0.02 0.00 0.03 0.00 0.00 46.19 46.40 3hov s LEU 1207CO 0.00 -0.29 -0.24 -0.89 0.23 0.00 0.00 176.35 175.16 3hov s THR 1208N -1.35 1.89 0.22 5.49 2.01 -1.26 -4.78 115.64 117.86 3hov s THR 1208Ca -0.15 -1.08 -0.07 0.00 0.31 0.00 0.00 61.69 60.70 3hov s THR 1208Cb -0.09 -1.58 0.17 0.00 0.01 0.00 0.00 72.50 71.01 3hov s THR 1208CO -0.00 0.48 1.79 0.24 -0.69 0.00 0.00 174.62 176.43 3hov h MET 1209N 5.39 0.63 -0.56 4.92 0.00 -1.97 -0.08 114.93 123.26 3hov h MET 1209Ca -0.42 -0.04 0.08 0.00 0.00 0.00 0.00 59.70 59.33 3hov h MET 1209Cb 1.13 -0.14 -0.10 0.00 0.00 0.00 0.00 31.60 32.49 3hov h MET 1209CO 0.47 0.42 -0.44 0.78 0.00 0.00 0.00 176.91 178.13 3hov h GLY 1210N 0.65 -0.48 -0.06 8.32 0.00 -1.95 0.42 103.07 109.97 3hov h GLY 1210Ca 0.34 0.57 0.01 0.00 0.00 0.00 0.00 47.33 48.25 3hov h GLY 1210CO -0.25 -0.16 -0.23 1.46 0.00 0.00 0.00 176.54 177.37 3hov h GLN 1211N -0.24 -0.23 -0.45 4.80 4.20 -1.46 0.11 115.11 121.84 3hov h GLN 1211Ca 0.17 0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.96 3hov h GLN 1211Cb 0.56 0.05 -0.09 0.00 0.30 0.00 0.00 27.48 28.31 3hov h GLN 1211CO -0.67 -0.15 -0.48 0.28 -0.67 0.00 0.00 178.83 177.13 3hov h VAL 1212N -0.24 0.06 -0.28 -0.54 2.07 -0.61 -1.83 116.25 114.88 3hov h VAL 1212Ca 0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.58 3hov h VAL 1212Cb 0.28 0.06 -0.08 0.00 -1.52 0.00 0.00 31.29 30.04 3hov h VAL 1212CO -0.18 0.00 -0.48 1.23 0.02 0.00 0.00 177.57 178.16 3hov h GLY 1213N -0.33 -0.79 -0.99 2.17 0.00 0.15 -0.74 103.07 102.54 3hov h GLY 1213Ca 0.12 0.60 0.19 0.00 0.00 0.00 0.00 47.33 48.25 3hov h GLY 1213CO -0.61 -0.18 -0.27 1.18 0.00 0.00 0.00 176.54 176.65 3hov n GLU 1214N -5.42 -0.11 0.07 4.80 -0.58 0.37 0.58 120.64 120.35 3hov n GLU 1214Ca -0.03 1.53 -0.05 0.00 -0.42 0.00 0.00 57.16 58.19 3hov n GLU 1214Cb 0.36 -2.29 -0.03 0.00 -0.57 0.00 0.00 31.44 28.91 3hov n GLU 1214CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hov h ARG 1215N 0.00 -0.26 -0.65 3.49 2.47 -0.61 0.66 114.38 119.47 3hov h ARG 1215Ca 0.45 0.02 0.09 0.00 -1.26 0.00 0.00 59.98 59.27 3hov h ARG 1215Cb 0.70 0.06 -0.11 0.00 -1.65 0.00 0.00 29.97 28.97 3hov h ARG 1215CO -1.01 -0.18 -0.48 0.82 0.56 0.00 0.00 179.97 179.69 3hov h ILE 1216N -0.27 0.05 -0.77 2.04 2.04 -0.45 1.50 117.51 121.65 3hov h ILE 1216Ca -0.01 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.02 3hov h ILE 1216Cb 0.25 0.05 -0.14 0.00 -0.74 0.00 0.00 36.82 36.23 3hov h ILE 1216CO -0.04 0.00 -0.06 0.50 0.00 0.00 0.00 178.15 178.55 3hov h LYS 1217N -0.20 0.06 0.00 2.37 1.63 0.47 0.22 116.57 121.11 3hov h LYS 1217Ca 0.17 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.97 3hov h LYS 1217Cb 0.55 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.17 3hov h LYS 1217CO -0.74 0.04 -0.41 -0.56 -3.45 0.00 0.00 179.45 174.33 3hov h GLN 1218N 0.06 0.00 -0.25 1.90 3.07 0.34 0.62 115.11 120.86 3hov h GLN 1218Ca 0.41 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 59.08 3hov h GLN 1218Cb 0.70 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.26 3hov h GLN 1218CO -0.73 0.00 -0.12 1.15 0.09 0.00 0.00 178.83 179.22 3hov h THR 1219N 0.00 1.30 0.00 1.86 2.02 0.52 -3.36 112.91 115.25 3hov h THR 1219Ca 0.00 -1.21 -0.40 0.00 0.77 0.00 0.00 66.41 65.57 3hov h THR 1219Cb 0.77 1.57 -0.06 0.00 -1.74 0.00 0.00 68.15 68.69 3hov h THR 1219CO 0.00 0.38 -2.18 0.49 0.37 0.00 0.00 175.52 174.58 3hov n PHE 1220N -4.48 0.29 0.00 3.16 3.01 -0.68 -5.07 117.46 113.68 3hov n PHE 1220Ca -0.04 0.12 0.00 0.00 1.01 0.00 0.00 57.45 58.54 3hov n PHE 1220Cb 0.35 -1.02 0.00 0.00 -0.01 0.00 0.00 39.48 38.80 3hov n PHE 1220CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3hov n LYS 1221N -4.30 0.00 -2.10 -1.08 5.02 0.22 -4.51 118.16 111.41 3hov n LYS 1221Ca -0.48 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.38 3hov n LYS 1221Cb 0.83 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.84 3hov n LYS 1221CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3hov n ASN 1222N 8.52 4.57 0.00 4.39 4.13 -1.26 -3.35 115.26 132.25 3hov n ASN 1222Ca 0.00 -2.99 0.00 0.00 1.68 0.00 0.00 54.58 53.27 3hov n ASN 1222Cb 0.00 -1.56 0.00 0.00 -1.54 0.00 0.00 39.78 36.68 3hov n ASN 1222CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 3hov n ASP 1223N 4.96 0.00 -3.30 6.41 5.68 -1.26 -5.05 116.55 123.99 3hov n ASP 1223Ca 0.45 0.00 -0.03 0.00 -0.50 0.00 0.00 54.79 54.71 3hov n ASP 1223Cb 0.38 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.31 3hov n ASP 1223CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 3hov s LEU 1224N 0.00 -0.97 -0.12 -2.12 2.96 -1.21 -3.04 118.68 114.17 3hov s LEU 1224Ca 0.00 0.61 -0.30 0.00 -0.22 0.00 0.00 54.13 54.22 3hov s LEU 1224Cb 0.00 1.62 -0.02 0.00 0.50 0.00 0.00 46.19 48.30 3hov s LEU 1224CO 0.00 -0.27 1.13 0.12 -1.32 0.00 0.00 176.35 176.00 3hov s PHE 1225N 2.70 3.25 0.01 5.38 5.36 -1.26 -4.78 117.98 128.64 3hov s PHE 1225Ca 0.14 1.33 0.05 0.00 -0.96 0.00 0.00 56.93 57.50 3hov s PHE 1225Cb -0.15 -3.34 -0.02 0.00 -0.34 0.00 0.00 43.02 39.17 3hov s PHE 1225CO -0.18 -0.92 -0.16 0.08 -1.46 0.00 0.00 175.22 172.58 3hov s VAL 1226N 2.53 1.29 0.27 3.12 1.01 -1.26 -1.55 120.40 125.80 3hov s VAL 1226Ca 0.51 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.71 3hov s VAL 1226Cb -0.21 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 3hov s VAL 1226CO 0.17 0.27 0.19 -0.63 0.00 0.00 0.00 175.10 175.09 3hov s ILE 1227N -0.52 0.07 -0.15 2.22 1.01 -0.64 -5.00 121.20 118.18 3hov s ILE 1227Ca 0.05 -2.00 -0.32 0.00 0.00 0.00 0.00 60.65 58.38 3hov s ILE 1227Cb -0.07 -2.50 0.13 0.00 0.01 0.00 0.00 42.46 40.03 3hov s ILE 1227CO 0.00 0.00 1.11 -1.66 0.00 0.00 0.00 174.94 174.39 3hov s TRP 1228N -3.80 -0.21 0.28 3.97 -2.14 -1.26 -1.76 118.94 114.01 3hov s TRP 1228Ca 0.39 0.20 -0.05 0.00 2.66 0.00 0.00 56.10 59.30 3hov s TRP 1228Cb 0.05 0.51 0.07 0.00 -3.10 0.00 0.00 33.47 31.00 3hov s TRP 1228CO 0.19 -0.30 0.28 -1.13 -2.66 0.00 0.00 176.95 173.33 3hov n SER 1229N 0.06 -0.89 -4.44 -2.66 3.41 -0.43 -5.00 113.62 103.66 3hov n SER 1229Ca -0.04 -0.79 -0.31 0.00 -0.26 0.00 0.00 58.87 57.48 3hov n SER 1229Cb 0.59 -0.24 -0.13 0.00 -0.26 0.00 0.00 64.21 64.17 3hov n SER 1229CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3hov s GLU 1230N -3.63 2.01 0.56 4.33 2.56 -1.26 -4.84 118.70 118.42 3hov s GLU 1230Ca 0.17 -1.02 0.45 0.00 0.00 0.00 0.00 54.97 54.58 3hov s GLU 1230Cb -0.01 -2.15 1.63 0.00 2.00 0.00 0.00 34.13 35.60 3hov s GLU 1230CO 0.13 0.53 1.62 -0.44 -0.56 0.00 0.00 175.26 176.55 3hov h ASP 1231N 4.50 0.00 0.32 -1.70 3.32 -1.97 0.38 116.42 121.27 3hov h ASP 1231Ca -0.48 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.56 3hov h ASP 1231Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 3hov h ASP 1231CO 0.47 0.00 -0.15 -1.13 -1.72 0.00 0.00 179.24 176.71 3hov h ASN 1232N 0.00 -0.36 -1.12 6.45 -0.73 -1.99 -3.47 115.58 114.37 3hov h ASN 1232Ca 0.80 -0.10 -0.33 0.00 1.87 0.00 0.00 56.30 58.54 3hov h ASN 1232Cb 3.27 0.09 0.11 0.00 0.27 0.00 0.00 38.32 42.07 3hov h ASN 1232CO -0.01 -0.11 -0.77 0.47 -0.37 0.00 0.00 177.43 176.65 3hov n ASP 1233N -5.20 -2.46 -0.28 1.15 8.00 0.13 -4.86 116.55 113.03 3hov n ASP 1233Ca -0.10 0.29 0.14 0.00 0.71 0.00 0.00 54.79 55.83 3hov n ASP 1233Cb 0.24 -0.46 0.58 0.00 -0.02 0.00 0.00 41.12 41.46 3hov n ASP 1233CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 3hov n GLU 1234N 1.01 1.20 -3.60 -1.24 0.28 -1.26 -4.69 120.64 112.33 3hov n GLU 1234Ca 0.03 -0.57 -0.13 0.00 -0.16 0.00 0.00 57.16 56.33 3hov n GLU 1234Cb 0.28 -1.49 -0.12 0.00 1.43 0.00 0.00 31.44 31.54 3hov n GLU 1234CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 3hov s LYS 1235N -2.20 0.21 -0.15 3.44 2.20 -1.26 -5.13 119.74 116.85 3hov s LYS 1235Ca 0.35 0.71 -0.23 0.00 -0.36 0.00 0.00 55.97 56.43 3hov s LYS 1235Cb 0.21 -0.16 -0.02 0.00 -1.51 0.00 0.00 37.83 36.34 3hov s LYS 1235CO 0.40 -0.37 0.74 -0.51 -0.36 0.00 0.00 175.35 175.26 3hov s LEU 1236N 2.46 4.20 0.05 5.43 1.43 -1.26 -4.84 118.68 126.15 3hov s LEU 1236Ca 0.03 1.08 -0.10 0.00 -1.03 0.00 0.00 54.13 54.11 3hov s LEU 1236Cb -0.13 -3.10 0.00 0.00 0.03 0.00 0.00 46.19 43.00 3hov s LEU 1236CO -0.11 -0.29 0.21 -0.63 0.23 0.00 0.00 176.35 175.76 3hov s ILE 1237N 1.73 0.11 -0.03 -0.59 1.09 -1.26 -2.71 121.20 119.54 3hov s ILE 1237Ca 0.35 -0.92 0.02 0.00 -1.10 0.00 0.00 60.65 59.00 3hov s ILE 1237Cb -0.17 -0.99 0.01 0.00 -1.06 0.00 0.00 42.46 40.25 3hov s ILE 1237CO 0.13 -0.51 -0.09 -0.63 -0.10 0.00 0.00 174.94 173.74 3hov s ILE 1238N -2.81 0.80 -0.12 2.92 1.01 -0.63 -1.31 121.20 121.06 3hov s ILE 1238Ca -0.03 -0.35 0.03 0.00 0.00 0.00 0.00 60.65 60.30 3hov s ILE 1238Cb 0.00 -0.72 0.01 0.00 0.01 0.00 0.00 42.46 41.76 3hov s ILE 1238CO -0.05 0.26 -0.21 -0.13 0.00 0.00 0.00 174.94 174.80 3hov s ARG 1239N 0.31 2.85 0.11 2.79 0.52 -0.72 -1.69 118.95 123.11 3hov s ARG 1239Ca -0.05 -0.80 0.08 0.00 -0.52 0.00 0.00 55.73 54.44 3hov s ARG 1239Cb -0.10 -2.26 -0.04 0.00 0.52 0.00 0.00 34.95 33.08 3hov s ARG 1239CO 0.01 0.04 -0.21 0.00 0.02 0.00 0.00 175.30 175.16 3hov n ARG 1241N 1.02 0.00 0.00 0.00 1.74 -0.60 -1.68 116.66 117.15 3hov n ARG 1241Ca -0.19 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.89 3hov n ARG 1241Cb 0.54 -0.29 0.00 0.00 -1.02 0.00 0.00 32.46 31.69 3hov n ARG 1241CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3hov n VAL 1242N -3.32 0.00 -3.89 1.55 0.31 -1.26 -4.61 118.33 107.10 3hov n VAL 1242Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 3hov n VAL 1242Cb 0.00 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 3hov n VAL 1242CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3hov s VAL 1243N -2.15 0.09 -0.37 2.52 -7.23 -1.17 -3.41 120.40 108.68 3hov s VAL 1243Ca 0.00 -1.23 -0.22 0.00 -1.81 0.00 0.00 61.98 58.72 3hov s VAL 1243Cb 0.00 -1.63 -0.11 0.00 0.56 0.00 0.00 36.38 35.20 3hov s VAL 1243CO 0.00 -0.39 1.29 0.54 -0.31 0.00 0.00 175.10 176.23 3hov n ARG 1244N -0.18 0.00 0.00 4.82 1.74 -1.06 -4.97 116.66 117.01 3hov n ARG 1244Ca -0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 3hov n ARG 1244Cb 0.63 -0.84 0.00 0.00 -1.02 0.00 0.00 32.46 31.23 3hov n ARG 1244CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hov n ALA 1254N 4.72 0.00 0.00 7.54 0.00 -1.26 -5.19 120.51 126.32 3hov n ALA 1254Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.77 3hov n ALA 1254Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.44 3hov n ALA 1254CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3hov n GLU 1255N -1.40 0.00 0.18 0.00 2.13 -1.26 -5.12 120.64 115.17 3hov n GLU 1255Ca 0.00 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.74 3hov n GLU 1255Cb 0.00 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.67 3hov n GLU 1255CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3hov h GLU 1256N 0.00 -0.49 -0.01 5.31 5.08 -2.04 -3.33 114.58 119.10 3hov h GLU 1256Ca 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3hov h GLU 1256Cb 0.00 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 3hov h GLU 1256CO 0.00 -0.33 0.33 0.38 -1.00 0.00 0.00 179.01 178.39 3hov h ASP 1257N -0.83 0.00 1.10 1.42 2.03 -1.97 0.88 116.42 119.06 3hov h ASP 1257Ca -0.05 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 56.13 3hov h ASP 1257Cb 0.39 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.87 3hov h ASP 1257CO 0.09 0.00 -0.58 0.45 -1.03 0.00 0.00 179.24 178.16 3hov h HIS 1258N 0.00 0.00 0.05 4.15 3.86 -2.01 -2.53 115.15 118.67 3hov h HIS 1258Ca 0.00 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.93 3hov h HIS 1258Cb 0.66 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.10 3hov h HIS 1258CO 0.00 0.58 -1.52 1.98 0.86 0.00 0.00 177.93 179.83 3hov h MET 1259N 0.00 0.10 0.00 2.45 1.85 0.48 -3.26 114.93 116.55 3hov h MET 1259Ca -0.01 -0.16 -0.01 0.00 -0.61 0.00 0.00 59.70 58.91 3hov h MET 1259Cb 1.29 0.06 -0.00 0.00 0.43 0.00 0.00 31.60 33.38 3hov h MET 1259CO 0.08 0.85 -0.07 1.25 -0.40 0.00 0.00 176.91 178.61 3hov h LEU 1260N 0.03 0.00 0.07 3.39 5.85 -0.45 -1.46 115.31 122.73 3hov h LEU 1260Ca -0.22 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.25 3hov h LEU 1260Cb 1.96 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.98 3hov h LEU 1260CO 0.12 0.07 -1.15 0.11 -0.34 0.00 0.00 178.44 177.25 3hov h LYS 1261N 0.00 0.14 -0.10 1.25 1.57 -1.51 -2.46 116.57 115.45 3hov h LYS 1261Ca -0.00 -0.24 -0.11 0.00 -1.87 0.00 0.00 60.65 58.43 3hov h LYS 1261Cb 0.32 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 3hov h LYS 1261CO 0.01 1.10 -0.44 0.87 -0.57 0.00 0.00 179.45 180.42 3hov h LYS 1262N 0.04 0.24 0.00 3.15 1.57 -1.35 -2.37 116.57 117.85 3hov h LYS 1262Ca -0.08 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 3hov h LYS 1262Cb 1.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.19 3hov h LYS 1262CO 0.17 0.64 0.00 0.82 -0.57 0.00 0.00 179.45 180.50 3hov h ILE 1263N 0.20 0.00 0.00 1.86 2.04 -1.28 -3.01 117.51 117.31 3hov h ILE 1263Ca 0.02 -0.79 -0.05 0.00 1.00 0.00 0.00 64.86 65.04 3hov h ILE 1263Cb 0.85 1.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.71 3hov h ILE 1263CO 0.07 0.00 -0.22 1.05 0.00 0.00 0.00 178.15 179.04 3hov h GLU 1264N 0.00 0.00 0.00 2.37 -0.00 -0.93 -2.88 114.58 113.14 3hov h GLU 1264Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 59.36 59.27 3hov h GLU 1264Cb 0.87 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.61 3hov h GLU 1264CO 0.00 0.22 -0.50 -0.91 -0.00 0.00 0.00 179.01 177.82 3hov h ASN 1265N 0.00 0.00 -1.15 3.06 4.21 -1.49 -3.01 115.58 117.20 3hov h ASN 1265Ca -0.00 -0.79 0.36 0.00 1.21 0.00 0.00 56.30 57.08 3hov h ASN 1265Cb 1.10 0.00 -0.13 0.00 -1.12 0.00 0.00 38.32 38.18 3hov h ASN 1265CO 0.03 1.19 0.72 0.74 -1.29 0.00 0.00 177.43 178.81 3hov h THR 1266N -1.00 0.25 -0.05 2.81 2.02 -1.59 0.32 112.91 115.68 3hov h THR 1266Ca -0.14 -0.07 -0.21 0.00 0.77 0.00 0.00 66.41 66.76 3hov h THR 1266Cb 1.11 0.02 0.01 0.00 -1.74 0.00 0.00 68.15 67.55 3hov h THR 1266CO -0.08 0.04 -0.78 0.24 0.37 0.00 0.00 175.52 175.31 3hov h MET 1267N 0.22 0.62 0.00 6.66 2.86 -1.58 -2.84 114.93 120.85 3hov h MET 1267Ca 0.75 -0.60 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 3hov h MET 1267Cb 2.07 0.15 0.00 0.00 0.06 0.00 0.00 31.60 33.88 3hov h MET 1267CO -0.46 1.21 -0.18 1.28 1.06 0.00 0.00 176.91 179.81 3hov n LEU 1268N -4.04 0.32 -2.73 1.22 4.77 0.83 -4.19 117.00 113.18 3hov n LEU 1268Ca -0.10 0.37 -0.04 0.00 -0.03 0.00 0.00 56.01 56.21 3hov n LEU 1268Cb 0.75 -0.38 0.07 0.00 -2.33 0.00 0.00 43.42 41.53 3hov n LEU 1268CO 0.51 -0.00 0.19 -0.62 -1.33 0.00 0.00 177.39 176.13 3hov n GLU 1269N -1.68 1.40 -0.11 3.23 1.02 0.50 -3.99 120.64 121.00 3hov n GLU 1269Ca 0.06 -2.66 0.00 0.00 -0.02 0.00 0.00 57.16 54.54 3hov n GLU 1269Cb 0.36 -0.80 0.00 0.00 -0.02 0.00 0.00 31.44 30.98 3hov n GLU 1269CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3hov n ASN 1270N -0.65 0.00 -3.89 1.62 3.02 -1.07 -4.89 115.26 109.39 3hov n ASN 1270Ca 0.01 -0.46 -0.26 0.00 -0.03 0.00 0.00 54.58 53.84 3hov n ASN 1270Cb 0.83 0.00 -0.17 0.00 -0.61 0.00 0.00 39.78 39.83 3hov n ASN 1270CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3hov s ILE 1271N 0.00 0.95 -0.05 2.41 1.01 -1.25 -4.95 121.20 119.32 3hov s ILE 1271Ca 0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 60.65 60.40 3hov s ILE 1271Cb 0.00 -0.99 -0.03 0.00 0.01 0.00 0.00 42.46 41.45 3hov s ILE 1271CO 0.00 0.36 -0.02 -0.89 0.00 0.00 0.00 174.94 174.39 3hov s THR 1272N 1.71 4.12 -0.23 2.92 2.01 -1.26 -2.11 115.64 122.79 3hov s THR 1272Ca 0.04 -0.42 -0.17 0.00 0.31 0.00 0.00 61.69 61.46 3hov s THR 1272Cb -0.13 -2.75 -0.14 0.00 0.01 0.00 0.00 72.50 69.49 3hov s THR 1272CO -0.08 0.53 -0.10 0.18 -0.69 0.00 0.00 174.62 174.46 3hov n LEU 1273N 1.92 1.90 0.00 4.42 4.32 0.28 -4.90 117.00 124.94 3hov n LEU 1273Ca -0.17 0.40 -0.10 0.00 -0.02 0.00 0.00 56.01 56.11 3hov n LEU 1273Cb 0.53 -0.88 -0.04 0.00 -1.62 0.00 0.00 43.42 41.41 3hov n LEU 1273CO 0.30 0.32 -0.05 0.54 -1.22 0.00 0.00 177.39 177.28 3hov n ARG 1274N -4.37 0.22 -0.76 3.23 1.74 -1.19 -4.98 116.66 110.54 3hov n ARG 1274Ca -0.39 -1.76 0.10 0.00 -0.77 0.00 0.00 57.85 55.03 3hov n ARG 1274Cb 0.73 1.45 -0.03 0.00 -1.02 0.00 0.00 32.46 33.59 3hov n ARG 1274CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hov n GLY 1275N -0.33 -1.64 3.39 -0.13 0.00 -1.26 -1.53 105.19 103.68 3hov n GLY 1275Ca 0.04 -1.34 -0.27 0.00 0.00 0.00 0.00 46.02 44.46 3hov n GLY 1275CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hov s VAL 1276N -1.71 2.19 0.86 1.61 1.01 0.47 -4.61 120.40 120.23 3hov s VAL 1276Ca 0.00 -1.85 -0.14 0.00 0.00 0.00 0.00 61.98 59.99 3hov s VAL 1276Cb 0.00 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.42 3hov s VAL 1276CO 0.00 -0.04 0.60 -1.84 0.00 0.00 0.00 175.10 173.81 3hov n GLU 1277N 0.62 -0.04 0.00 2.72 0.28 -1.26 -2.53 120.64 120.43 3hov n GLU 1277Ca -0.16 0.04 0.00 0.00 -0.16 0.00 0.00 57.16 56.89 3hov n GLU 1277Cb 0.55 -1.96 0.00 0.00 1.43 0.00 0.00 31.44 31.46 3hov n GLU 1277CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3hov n ASN 1278N -1.42 0.00 -4.57 -1.84 3.02 -1.26 -4.70 115.26 104.49 3hov n ASN 1278Ca 0.09 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.27 3hov n ASN 1278Cb 0.52 -0.12 -0.03 0.00 -0.61 0.00 0.00 39.78 39.54 3hov n ASN 1278CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3hov s ILE 1279N -0.15 3.82 0.00 2.41 -1.09 -1.05 -3.93 121.20 121.21 3hov s ILE 1279Ca 0.00 -1.09 0.00 0.00 -2.23 0.00 0.00 60.65 57.33 3hov s ILE 1279Cb 0.00 -4.82 0.00 0.00 -1.58 0.00 0.00 42.46 36.06 3hov s ILE 1279CO 0.00 -1.60 0.00 -0.62 -1.23 0.00 0.00 174.94 171.49 3hov n GLU 1280N 8.61 3.89 -0.52 2.79 4.71 -1.23 -2.13 120.64 136.76 3hov n GLU 1280Ca 0.42 0.00 -0.17 0.00 -0.01 0.00 0.00 57.16 57.40 3hov n GLU 1280Cb 0.48 0.00 -0.00 0.00 -1.01 0.00 0.00 31.44 30.91 3hov n GLU 1280CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 3hov n ARG 1281N 0.00 0.00 -3.76 3.49 1.74 -1.26 -4.57 116.66 112.30 3hov n ARG 1281Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 3hov n ARG 1281Cb 0.00 -0.40 -0.12 0.00 -1.02 0.00 0.00 32.46 30.92 3hov n ARG 1281CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3hov s VAL 1282N -0.66 -0.02 0.16 1.55 1.01 -1.26 -3.11 120.40 118.07 3hov s VAL 1282Ca 0.24 0.07 0.08 0.00 0.00 0.00 0.00 61.98 62.37 3hov s VAL 1282Cb -0.26 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 3hov s VAL 1282CO 0.25 0.03 -0.17 -0.69 0.00 0.00 0.00 175.10 174.52 3hov s VAL 1283N 0.67 1.73 -0.05 2.92 1.01 -0.77 -4.94 120.40 120.97 3hov s VAL 1283Ca -0.05 -1.92 -0.07 0.00 0.00 0.00 0.00 61.98 59.94 3hov s VAL 1283Cb -0.06 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 3hov s VAL 1283CO -0.04 -0.37 0.22 -0.04 0.00 0.00 0.00 175.10 174.87 3hov s MET 1284N -2.89 3.54 -0.04 2.72 -1.94 -1.26 -1.38 119.30 118.04 3hov s MET 1284Ca 0.15 -0.08 -0.03 0.00 -1.71 0.00 0.00 55.69 54.02 3hov s MET 1284Cb -0.05 -3.14 0.02 0.00 2.01 0.00 0.00 34.83 33.67 3hov s MET 1284CO 0.06 0.71 0.11 -1.64 -0.01 0.00 0.00 175.02 174.25 3hov s MET 1285N -1.43 0.10 -0.91 2.03 -1.94 0.23 -4.95 119.30 112.43 3hov s MET 1285Ca 0.22 0.20 -0.12 0.00 -1.71 0.00 0.00 55.69 54.29 3hov s MET 1285Cb -0.13 -0.02 0.24 0.00 2.01 0.00 0.00 34.83 36.92 3hov s MET 1285CO 0.11 -0.06 0.86 0.21 -0.01 0.00 0.00 175.02 176.14 3hov s LYS 1286N 0.40 3.75 0.27 2.03 2.20 -1.26 0.16 119.74 127.30 3hov s LYS 1286Ca -0.03 -2.71 -0.29 0.00 -0.36 0.00 0.00 55.97 52.57 3hov s LYS 1286Cb -0.04 -4.44 -0.09 0.00 -1.51 0.00 0.00 37.83 31.74 3hov s LYS 1286CO -0.02 -1.27 1.04 0.71 -0.36 0.00 0.00 175.35 175.45 3hov s TYR 1287N -0.31 3.72 -0.08 4.03 4.12 -0.28 -4.86 117.35 123.68 3hov s TYR 1287Ca 0.22 1.78 -0.22 0.00 0.02 0.00 0.00 57.07 58.87 3hov s TYR 1287Cb -0.10 -3.16 -0.04 0.00 -1.52 0.00 0.00 41.96 37.14 3hov s TYR 1287CO -0.09 -0.17 0.66 0.34 0.02 0.00 0.00 175.55 176.31 3hov s ASP 1288N -1.04 6.92 -0.04 2.29 -1.08 -1.26 -1.18 116.67 121.28 3hov s ASP 1288Ca 0.44 1.11 -0.00 0.00 -0.52 0.00 0.00 52.55 53.57 3hov s ASP 1288Cb -0.29 -2.39 0.03 0.00 -1.46 0.00 0.00 42.92 38.81 3hov s ASP 1288CO 0.37 -0.10 0.01 -0.60 0.52 0.00 0.00 175.17 175.37 3hov s ARG 1289N 0.80 0.26 0.33 4.34 3.52 -1.26 -4.93 118.95 122.02 3hov s ARG 1289Ca 0.35 0.15 -0.26 0.00 -0.13 0.00 0.00 55.73 55.83 3hov s ARG 1289Cb -0.17 -0.56 -0.10 0.00 -1.56 0.00 0.00 34.95 32.56 3hov s ARG 1289CO 0.16 -0.20 0.98 0.15 -0.81 0.00 0.00 175.30 175.58 3hov s LYS 1290N 1.41 4.52 0.01 5.12 1.02 -1.26 -0.07 119.74 130.50 3hov s LYS 1290Ca -0.04 1.42 -0.27 0.00 0.02 0.00 0.00 55.97 57.09 3hov s LYS 1290Cb -0.13 -2.81 0.07 0.00 -0.52 0.00 0.00 37.83 34.43 3hov s LYS 1290CO -0.03 0.20 0.62 0.54 -0.92 0.00 0.00 175.35 175.77 3hov s VAL 1291N -1.56 0.01 0.10 3.17 0.11 -0.16 -4.89 120.40 117.18 3hov s VAL 1291Ca 0.51 -0.06 -0.31 0.00 -2.93 0.00 0.00 61.98 59.19 3hov s VAL 1291Cb -0.21 -0.98 -0.09 0.00 -1.53 0.00 0.00 36.38 33.57 3hov s VAL 1291CO 0.26 -0.03 1.75 -2.84 -3.33 0.00 0.00 175.10 170.92 3hov s PRO 1292N -1.92 4.16 0.90 1.54 0.02 -1.26 0.98 135.00 139.41 3hov s PRO 1292Ca -0.08 2.48 -0.11 0.00 0.02 0.00 0.00 61.00 63.31 3hov s PRO 1292Cb -0.01 -3.60 0.13 0.00 0.02 0.00 0.00 34.50 31.05 3hov s PRO 1292CO 0.03 -0.80 1.09 0.45 -0.33 0.00 0.00 177.00 177.45 3hov s SER 1293N 2.59 3.42 0.52 2.53 0.15 0.79 -4.85 113.70 118.84 3hov s SER 1293Ca 0.78 1.57 0.29 0.00 0.70 0.00 0.00 55.95 59.29 3hov s SER 1293Cb -0.43 -2.24 1.36 0.00 -1.71 0.00 0.00 66.02 63.00 3hov s SER 1293CO 0.35 -2.68 2.00 1.55 1.20 0.00 0.00 173.24 175.66 3hov h PRO 1294N -1.58 0.00 -0.01 5.44 0.13 -1.94 -2.75 132.00 131.29 3hov h PRO 1294Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3hov h PRO 1294Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3hov h PRO 1294CO 0.53 0.12 -0.18 0.25 -0.23 0.00 0.00 178.00 178.49 3hov n THR 1295N -3.39 0.00 0.00 1.56 -2.24 -1.26 -5.02 114.28 103.93 3hov n THR 1295Ca -0.01 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 3hov n THR 1295Cb 0.30 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 3hov n THR 1295CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hov n GLY 1296N 1.30 2.12 3.24 3.38 0.00 -1.04 -3.26 105.19 110.94 3hov n GLY 1296Ca 0.14 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 3hov n GLY 1296CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hov n GLU 1297N 0.00 -0.76 -3.42 1.61 4.71 -1.25 -4.07 120.64 117.46 3hov n GLU 1297Ca 0.00 -0.20 -0.31 0.00 -0.01 0.00 0.00 57.16 56.64 3hov n GLU 1297Cb 0.00 -1.56 -0.04 0.00 -1.01 0.00 0.00 31.44 28.83 3hov n GLU 1297CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 3hov s TYR 1298N -2.22 3.45 0.03 -0.32 1.51 -1.26 -0.15 117.35 118.39 3hov s TYR 1298Ca 0.51 0.74 -0.05 0.00 -1.01 0.00 0.00 57.07 57.27 3hov s TYR 1298Cb -0.12 -2.17 -0.01 0.00 -0.11 0.00 0.00 41.96 39.55 3hov s TYR 1298CO 0.69 0.25 0.08 0.08 -1.11 0.00 0.00 175.55 175.54 3hov s VAL 1299N -1.90 0.13 -0.46 0.71 1.01 0.27 -4.79 120.40 115.37 3hov s VAL 1299Ca 0.45 -1.10 -0.28 0.00 0.00 0.00 0.00 61.98 61.06 3hov s VAL 1299Cb -0.11 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.41 3hov s VAL 1299CO 0.25 -0.61 1.77 -0.54 0.00 0.00 0.00 175.10 175.98 3hov s LYS 1300N -2.50 3.06 -0.65 2.72 1.02 -1.26 -0.99 119.74 121.13 3hov s LYS 1300Ca -0.06 1.01 0.06 0.00 0.02 0.00 0.00 55.97 57.00 3hov s LYS 1300Cb -0.02 -4.26 0.25 0.00 -0.52 0.00 0.00 37.83 33.29 3hov s LYS 1300CO -0.04 -2.19 0.77 -1.91 -0.92 0.00 0.00 175.35 171.06 3hov n GLU 1301N 8.71 2.60 -1.57 1.68 2.13 0.90 -4.92 120.64 130.17 3hov n GLU 1301Ca 0.21 -4.68 -0.54 0.00 0.66 0.00 0.00 57.16 52.82 3hov n GLU 1301Cb 0.49 -2.27 -0.06 0.00 0.27 0.00 0.00 31.44 29.87 3hov n GLU 1301CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 3hov n PRO 1302N 0.86 0.89 -4.37 5.31 -0.04 -1.26 -4.25 135.00 132.15 3hov n PRO 1302Ca 0.30 0.32 -0.22 0.00 -0.04 0.00 0.00 63.50 63.86 3hov n PRO 1302Cb 0.41 -1.93 -0.11 0.00 -0.04 0.00 0.00 33.50 31.83 3hov n PRO 1302CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 3hov s GLU 1303N 0.37 1.38 0.27 0.54 -1.05 -0.33 -4.53 118.70 115.36 3hov s GLU 1303Ca 0.86 -1.52 -0.12 0.00 -0.15 0.00 0.00 54.97 54.03 3hov s GLU 1303Cb -1.03 -1.40 -0.08 0.00 -0.44 0.00 0.00 34.13 31.18 3hov s GLU 1303CO 0.49 0.27 0.64 -1.58 0.95 0.00 0.00 175.26 176.03 3hov s TRP 1304N -2.31 3.41 -0.02 4.83 0.52 -0.82 -1.12 118.94 123.43 3hov s TRP 1304Ca 0.20 1.05 -0.12 0.00 0.02 0.00 0.00 56.10 57.25 3hov s TRP 1304Cb -0.05 -2.40 0.02 0.00 -1.15 0.00 0.00 33.47 29.89 3hov s TRP 1304CO 0.08 0.19 0.26 0.08 0.02 0.00 0.00 176.95 177.59 3hov s VAL 1305N -1.88 0.06 -0.15 4.03 1.01 0.43 -4.29 120.40 119.60 3hov s VAL 1305Ca 0.50 -0.47 -0.07 0.00 0.00 0.00 0.00 61.98 61.94 3hov s VAL 1305Cb -0.11 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 3hov s VAL 1305CO 0.19 -0.26 0.09 -0.76 0.00 0.00 0.00 175.10 174.36 3hov s LEU 1306N -1.15 4.02 -0.25 3.92 1.43 -0.55 0.75 118.68 126.85 3hov s LEU 1306Ca -0.12 0.24 -0.02 0.00 -1.03 0.00 0.00 54.13 53.19 3hov s LEU 1306Cb -0.05 -1.99 0.02 0.00 0.03 0.00 0.00 46.19 44.19 3hov s LEU 1306CO 0.03 0.28 -0.04 -1.61 0.23 0.00 0.00 176.35 175.24 3hov s GLU 1307N -0.27 2.88 0.00 1.70 2.02 -0.48 -0.20 118.70 124.34 3hov s GLU 1307Ca 0.09 -0.95 0.00 0.00 0.02 0.00 0.00 54.97 54.13 3hov s GLU 1307Cb -0.12 -3.03 0.00 0.00 0.10 0.00 0.00 34.13 31.08 3hov s GLU 1307CO 0.01 -0.40 0.00 -2.37 0.02 0.00 0.00 175.26 172.52 3hov n THR 1308N 4.69 0.00 -2.62 3.63 5.66 0.01 -1.84 114.28 123.81 3hov n THR 1308Ca -0.16 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.81 3hov n THR 1308Cb 0.47 -0.38 0.02 0.00 -1.55 0.00 0.00 70.33 68.89 3hov n THR 1308CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 3hov n ASP 1309N 0.00 -0.90 0.00 1.09 -0.08 -1.18 -4.59 116.55 110.89 3hov n ASP 1309Ca 0.00 -1.58 0.00 0.00 -1.51 0.00 0.00 54.79 51.70 3hov n ASP 1309Cb 0.00 0.67 0.00 0.00 2.34 0.00 0.00 41.12 44.13 3hov n ASP 1309CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3hov n GLY 1310N -0.48 2.70 3.17 0.27 0.00 -1.24 -3.49 105.19 106.11 3hov n GLY 1310Ca -0.16 -0.65 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 3hov n GLY 1310CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hov s VAL 1311N -2.00 1.95 -0.26 1.61 1.01 -1.24 -4.48 120.40 116.98 3hov s VAL 1311Ca 0.00 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.03 3hov s VAL 1311Cb 0.00 -1.72 0.12 0.00 0.00 0.00 0.00 36.38 34.79 3hov s VAL 1311CO 0.00 0.53 0.28 0.21 0.00 0.00 0.00 175.10 176.12 3hov s ASN 1312N 0.67 1.54 -0.10 3.32 2.47 -1.26 -4.89 114.94 116.69 3hov s ASN 1312Ca -0.11 -0.56 -0.05 0.00 0.42 0.00 0.00 52.86 52.56 3hov s ASN 1312Cb -0.16 0.50 -0.02 0.00 -1.45 0.00 0.00 41.25 40.12 3hov s ASN 1312CO 0.02 -0.37 -0.10 0.25 -3.72 0.00 0.00 177.10 173.18 3hov h LEU 1313N 8.27 0.00 -0.21 3.21 5.85 -1.97 -3.07 115.31 127.40 3hov h LEU 1313Ca -0.15 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.57 3hov h LEU 1313Cb 1.10 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.13 3hov h LEU 1313CO 0.32 0.52 0.78 0.77 -0.34 0.00 0.00 178.44 180.49 3hov h SER 1314N -0.74 0.00 0.00 1.25 4.64 -1.98 -2.55 113.55 114.17 3hov h SER 1314Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hov h SER 1314Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3hov h SER 1314CO 0.00 0.00 -0.22 -0.62 -0.87 0.00 0.00 176.83 175.12 3hov n GLU 1315N -2.14 0.12 0.00 4.77 -0.58 -1.26 -4.46 120.64 117.09 3hov n GLU 1315Ca -0.00 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 3hov n GLU 1315Cb 0.78 -0.58 0.00 0.00 -0.57 0.00 0.00 31.44 31.07 3hov n GLU 1315CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3hov n VAL 1316N -3.09 0.00 -0.10 2.62 0.31 -1.10 -1.06 118.33 115.92 3hov n VAL 1316Ca -0.03 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.07 3hov n VAL 1316Cb 0.12 -0.68 -0.12 0.00 -0.91 0.00 0.00 33.84 32.25 3hov n VAL 1316CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 3hov n MET 1317N -0.63 0.65 0.00 5.55 0.00 -0.98 -4.26 117.12 117.46 3hov n MET 1317Ca 0.00 0.28 0.10 0.00 -0.00 0.00 0.00 57.70 58.08 3hov n MET 1317Cb 0.00 -1.60 0.54 0.00 0.00 0.00 0.00 33.22 32.16 3hov n MET 1317CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 3hov n THR 1318N -3.76 0.31 -1.81 1.12 -2.24 -0.22 -4.60 114.28 103.08 3hov n THR 1318Ca -0.43 0.08 -0.39 0.00 -2.27 0.00 0.00 64.05 61.04 3hov n THR 1318Cb 0.93 -0.73 0.02 0.00 -2.10 0.00 0.00 70.33 68.44 3hov n THR 1318CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3hov s VAL 1319N -2.50 2.10 0.33 2.28 1.01 -1.21 -5.00 120.40 117.41 3hov s VAL 1319Ca 0.21 0.08 -0.16 0.00 0.00 0.00 0.00 61.98 62.12 3hov s VAL 1319Cb 0.14 -3.05 -0.09 0.00 0.00 0.00 0.00 36.38 33.38 3hov s VAL 1319CO 0.31 0.01 0.75 -2.16 0.00 0.00 0.00 175.10 174.01 3hov s PRO 1320N -2.57 4.03 0.00 2.72 0.04 -1.26 -4.12 135.00 133.84 3hov s PRO 1320Ca 0.64 0.71 0.00 0.00 0.04 0.00 0.00 61.00 62.39 3hov s PRO 1320Cb -0.42 -2.43 0.00 0.00 0.04 0.00 0.00 34.50 31.69 3hov s PRO 1320CO 0.53 0.15 0.00 0.41 0.04 0.00 0.00 177.00 178.13 3hov n GLY 1321N -0.35 0.71 3.76 0.56 0.00 -1.26 -4.96 105.19 103.65 3hov n GLY 1321Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 3hov n GLY 1321CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3hov s ILE 1322N -2.53 2.01 -0.46 -0.61 -4.36 -1.26 -1.61 121.20 112.38 3hov s ILE 1322Ca 0.00 -1.73 -0.13 0.00 -0.26 0.00 0.00 60.65 58.53 3hov s ILE 1322Cb 0.00 -2.74 0.08 0.00 1.25 0.00 0.00 42.46 41.05 3hov s ILE 1322CO 0.00 0.00 0.36 -0.62 0.24 0.00 0.00 174.94 174.92 3hov s ASP 1323N -3.95 5.96 -0.00 4.36 -1.08 0.27 -4.33 116.67 117.89 3hov s ASP 1323Ca 0.34 -1.45 0.00 0.00 -0.52 0.00 0.00 52.55 50.92 3hov s ASP 1323Cb 0.03 -2.11 0.01 0.00 -1.46 0.00 0.00 42.92 39.39 3hov s ASP 1323CO 0.19 -0.63 0.60 -0.81 0.52 0.00 0.00 175.17 175.04 3hov n PRO 1324N 5.10 1.05 0.00 4.34 -0.04 -1.26 -2.87 135.00 141.32 3hov n PRO 1324Ca -0.12 -0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 3hov n PRO 1324Cb 0.43 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 3hov n PRO 1324CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 3hov n THR 1325N 0.08 0.00 -0.49 0.52 5.66 -1.26 -4.71 114.28 114.08 3hov n THR 1325Ca 0.01 -0.39 0.00 0.00 -3.05 0.00 0.00 64.05 60.61 3hov n THR 1325Cb 0.30 1.10 0.00 0.00 -1.55 0.00 0.00 70.33 70.18 3hov n THR 1325CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3hov n ARG 1326N -0.43 0.43 -1.87 1.09 1.74 -1.14 -5.06 116.66 111.42 3hov n ARG 1326Ca 0.00 -0.60 -0.40 0.00 -0.77 0.00 0.00 57.85 56.08 3hov n ARG 1326Cb 0.02 -0.76 0.01 0.00 -1.02 0.00 0.00 32.46 30.71 3hov n ARG 1326CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 3hov s ILE 1327N -0.24 2.22 -0.04 0.55 2.07 -1.20 -4.62 121.20 119.94 3hov s ILE 1327Ca 0.00 0.20 -0.03 0.00 -1.41 0.00 0.00 60.65 59.42 3hov s ILE 1327Cb 0.00 -3.12 0.01 0.00 0.13 0.00 0.00 42.46 39.48 3hov s ILE 1327CO 0.00 0.03 0.09 -0.47 -1.91 0.00 0.00 174.94 172.68 3hov s TYR 1328N -1.20 -0.10 -0.06 3.50 5.04 -0.27 -5.04 117.35 119.22 3hov s TYR 1328Ca 0.58 0.25 0.03 0.00 -2.44 0.00 0.00 57.07 55.49 3hov s TYR 1328Cb -0.43 0.01 0.00 0.00 0.35 0.00 0.00 41.96 41.90 3hov s TYR 1328CO 0.56 -0.06 -0.17 0.99 -1.34 0.00 0.00 175.55 175.53 3hov s THR 1329N 0.19 1.45 0.44 4.34 2.01 -1.26 0.27 115.64 123.08 3hov s THR 1329Ca -0.01 -0.68 0.14 0.00 0.31 0.00 0.00 61.69 61.44 3hov s THR 1329Cb -0.02 -1.27 0.18 0.00 0.01 0.00 0.00 72.50 71.39 3hov s THR 1329CO -0.01 0.42 1.98 -0.55 -0.69 0.00 0.00 174.62 175.77 3hov h ASN 1330N 6.64 0.01 -1.13 3.53 7.08 -1.91 -3.36 115.58 126.45 3hov h ASN 1330Ca -0.29 -0.00 -0.38 0.00 -3.08 0.00 0.00 56.30 52.55 3hov h ASN 1330Cb 1.19 -0.00 -0.05 0.00 -2.08 0.00 0.00 38.32 37.38 3hov h ASN 1330CO 0.47 0.20 0.97 -0.55 -2.08 0.00 0.00 177.43 176.45 3hov s SER 1331N -6.99 5.33 0.58 6.14 0.15 -1.26 -4.75 113.70 112.90 3hov s SER 1331Ca -0.04 -0.48 0.35 0.00 0.70 0.00 0.00 55.95 56.48 3hov s SER 1331Cb 0.16 -2.55 1.73 0.00 -1.71 0.00 0.00 66.02 63.64 3hov s SER 1331CO 0.70 -2.51 2.13 2.19 1.20 0.00 0.00 173.24 176.96 3hov h PHE 1332N 12.05 0.00 -0.82 3.44 -5.15 -1.94 -1.44 116.94 123.08 3hov h PHE 1332Ca 0.00 0.00 0.08 0.00 -0.20 0.00 0.00 57.97 57.85 3hov h PHE 1332Cb 1.05 0.00 -0.05 0.00 0.22 0.00 0.00 35.95 37.16 3hov h PHE 1332CO 1.18 0.04 0.53 0.82 -2.00 0.00 0.00 178.31 178.88 3hov h ILE 1333N 0.00 1.01 0.09 0.88 1.08 -1.94 0.36 117.51 118.99 3hov h ILE 1333Ca -0.00 -0.29 -0.00 0.00 -0.39 0.00 0.00 64.86 64.17 3hov h ILE 1333Cb 0.30 0.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.14 3hov h ILE 1333CO 0.01 0.16 -0.04 0.44 -0.69 0.00 0.00 178.15 178.02 3hov h ASP 1334N 0.85 -0.10 -1.67 1.72 3.32 -1.65 -3.18 116.42 115.70 3hov h ASP 1334Ca 0.36 0.00 0.49 0.00 0.02 0.00 0.00 57.03 57.90 3hov h ASP 1334Cb 0.30 0.03 -0.07 0.00 0.22 0.00 0.00 39.33 39.81 3hov h ASP 1334CO -0.13 -0.02 1.29 0.40 -1.72 0.00 0.00 179.24 179.05 3hov h ILE 1335N -0.22 0.07 -0.19 0.35 2.04 -1.41 1.32 117.51 119.48 3hov h ILE 1335Ca -0.01 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.71 3hov h ILE 1335Cb 0.09 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.24 3hov h ILE 1335CO 0.02 0.00 -0.48 -0.03 0.00 0.00 0.00 178.15 177.66 3hov h MET 1336N 0.00 0.50 0.00 2.37 4.05 -0.96 -1.87 114.93 119.01 3hov h MET 1336Ca 0.80 -0.28 -0.24 0.00 -0.28 0.00 0.00 59.70 59.69 3hov h MET 1336Cb 3.36 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 34.15 3hov h MET 1336CO -0.01 0.87 -1.27 0.93 0.23 0.00 0.00 176.91 177.66 3hov h GLU 1337N 0.39 0.00 0.00 0.39 5.08 0.17 -3.01 114.58 117.61 3hov h GLU 1337Ca 0.02 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 3hov h GLU 1337Cb 0.99 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 3hov h GLU 1337CO 0.09 0.80 -0.64 0.28 -1.00 0.00 0.00 179.01 178.54 3hov h VAL 1338N 0.00 0.28 -0.01 3.13 2.07 -1.47 -3.41 116.25 116.84 3hov h VAL 1338Ca -0.12 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.07 3hov h VAL 1338Cb 1.86 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 3hov h VAL 1338CO 0.11 0.09 -0.07 0.18 0.02 0.00 0.00 177.57 177.91 3hov n LEU 1339N -4.59 0.85 0.00 2.57 4.77 -0.71 -5.05 117.00 114.84 3hov n LEU 1339Ca -0.13 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 3hov n LEU 1339Cb 0.35 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 3hov n LEU 1339CO 0.12 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 3hov n GLY 1340N 1.19 0.32 0.25 -0.72 0.00 -1.14 -4.36 105.19 100.73 3hov n GLY 1340Ca 0.18 -1.57 -0.02 0.00 0.00 0.00 0.00 46.02 44.61 3hov n GLY 1340CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3hov h ILE 1341N 0.00 0.36 -0.73 -0.61 6.09 -1.88 0.98 117.51 121.72 3hov h ILE 1341Ca 0.00 0.00 0.18 0.00 -1.37 0.00 0.00 64.86 63.67 3hov h ILE 1341Cb 0.00 0.36 -0.04 0.00 0.47 0.00 0.00 36.82 37.61 3hov h ILE 1341CO 0.00 0.00 0.50 -0.33 -3.07 0.00 0.00 178.15 175.25 3hov h GLU 1342N -0.03 0.21 0.00 2.19 4.39 -1.93 1.11 114.58 120.51 3hov h GLU 1342Ca 0.28 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.94 3hov h GLU 1342Cb 0.46 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 3hov h GLU 1342CO -0.63 0.14 -0.41 0.00 -1.16 0.00 0.00 179.01 176.95 3hov h ALA 1343N 1.65 0.80 0.23 3.43 0.00 -1.08 -2.94 119.26 121.35 3hov h ALA 1343Ca 0.36 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3hov h ALA 1343Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3hov h ALA 1343CO -0.07 0.20 -0.11 0.78 0.00 0.00 0.00 179.25 180.04 3hov h GLY 1344N 3.87 -0.32 -0.16 0.00 0.00 0.27 -2.05 103.07 104.68 3hov h GLY 1344Ca -0.01 0.12 0.18 0.00 0.00 0.00 0.00 47.33 47.62 3hov h GLY 1344CO 0.02 -0.12 0.22 -0.09 0.00 0.00 0.00 176.54 176.57 3hov h ARG 1345N -0.86 0.27 -0.37 4.80 2.43 -0.61 0.81 114.38 120.86 3hov h ARG 1345Ca -0.03 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.20 3hov h ARG 1345Cb 0.51 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.93 3hov h ARG 1345CO 0.05 0.18 -0.09 0.00 -1.51 0.00 0.00 179.97 178.60 3hov h ALA 1346N 1.66 0.25 -0.05 2.80 0.00 -1.47 0.49 119.26 122.94 3hov h ALA 1346Ca 0.46 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.50 3hov h ALA 1346Cb 0.83 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 3hov h ALA 1346CO -0.54 -0.45 -0.02 0.00 0.00 0.00 0.00 179.25 178.24 3hov h ALA 1347N 1.37 0.06 -0.83 0.00 0.00 0.56 -1.26 119.26 119.16 3hov h ALA 1347Ca 0.18 -0.22 0.19 0.00 0.00 0.00 0.00 54.91 55.06 3hov h ALA 1347Cb 0.27 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 17.93 3hov h ALA 1347CO -0.38 -0.20 0.31 1.25 0.00 0.00 0.00 179.25 180.22 3hov h LEU 1348N -0.29 0.21 0.58 0.00 5.85 0.83 0.30 115.31 122.79 3hov h LEU 1348Ca 0.01 0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 3hov h LEU 1348Cb 0.45 0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.63 3hov h LEU 1348CO 0.01 0.00 -0.28 0.22 -0.34 0.00 0.00 178.44 178.05 3hov h TYR 1349N 0.36 -0.73 -0.97 1.25 3.20 -0.85 -1.77 116.97 117.46 3hov h TYR 1349Ca 0.49 -0.02 0.22 0.00 3.14 0.00 0.00 58.73 62.57 3hov h TYR 1349Cb 0.89 0.24 -0.18 0.00 1.54 0.00 0.00 36.73 39.21 3hov h TYR 1349CO -0.19 -0.43 -0.15 1.17 -1.64 0.00 0.00 178.16 176.92 3hov n LYS 1350N -5.30 -0.08 -0.11 1.82 4.81 -0.31 0.24 118.16 119.22 3hov n LYS 1350Ca -0.10 1.50 -0.09 0.00 -0.87 0.00 0.00 58.31 58.75 3hov n LYS 1350Cb 0.32 -2.29 0.07 0.00 0.02 0.00 0.00 35.03 33.15 3hov n LYS 1350CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 3hov h GLU 1351N 0.00 0.83 -0.23 1.64 4.57 -0.45 -2.43 114.58 118.51 3hov h GLU 1351Ca 0.51 -0.34 -0.03 0.00 -1.18 0.00 0.00 59.36 58.32 3hov h GLU 1351Cb 0.88 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.43 3hov h GLU 1351CO -0.97 0.97 0.01 0.28 -1.18 0.00 0.00 179.01 178.12 3hov h VAL 1352N 0.72 1.24 -0.88 0.32 2.07 0.71 -2.91 116.25 117.53 3hov h VAL 1352Ca 0.10 -0.84 0.07 0.00 0.82 0.00 0.00 66.70 66.85 3hov h VAL 1352Cb 0.75 1.35 -0.07 0.00 -1.52 0.00 0.00 31.29 31.80 3hov h VAL 1352CO 0.06 0.26 0.54 0.22 0.02 0.00 0.00 177.57 178.67 3hov h TYR 1353N 0.18 1.00 -0.50 1.57 -0.00 -0.68 -2.51 116.97 116.04 3hov h TYR 1353Ca 0.07 0.03 -0.02 0.00 -0.00 0.00 0.00 58.73 58.81 3hov h TYR 1353Cb 0.37 -0.32 -0.02 0.00 -0.00 0.00 0.00 36.73 36.76 3hov h TYR 1353CO 0.03 0.48 0.23 -0.91 -0.00 0.00 0.00 178.16 177.99 3hov h ASN 1354N 0.97 0.63 -0.02 -2.11 2.35 -1.24 -0.42 115.58 115.73 3hov h ASN 1354Ca 0.39 -0.06 -0.07 0.00 -0.55 0.00 0.00 56.30 56.01 3hov h ASN 1354Cb 0.22 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 3hov h ASN 1354CO -0.19 0.55 -0.18 0.58 -1.65 0.00 0.00 177.43 176.53 3hov h VAL 1355N 0.70 1.23 0.10 2.81 2.07 -1.34 -0.15 116.25 121.67 3hov h VAL 1355Ca 0.17 -1.05 -0.29 0.00 0.82 0.00 0.00 66.70 66.35 3hov h VAL 1355Cb 0.09 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3hov h VAL 1355CO -0.02 0.33 -1.46 0.40 0.02 0.00 0.00 177.57 176.83 3hov h ILE 1356N 0.34 1.22 0.00 4.57 2.04 -1.29 -3.33 117.51 121.05 3hov h ILE 1356Ca 0.06 -2.88 -0.04 0.00 1.00 0.00 0.00 64.86 63.00 3hov h ILE 1356Cb 0.52 2.76 -0.01 0.00 -0.74 0.00 0.00 36.82 39.36 3hov h ILE 1356CO 0.03 0.82 -0.63 0.00 0.00 0.00 0.00 178.15 178.37 3hov h ALA 1357N 0.59 0.72 -0.83 1.87 0.00 -1.06 -2.88 119.26 117.66 3hov h ALA 1357Ca -0.21 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 3hov h ALA 1357Cb 1.99 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.76 3hov h ALA 1357CO 0.16 0.22 0.37 0.66 0.00 0.00 0.00 179.25 180.66 3hov h SER 1358N 0.00 1.11 0.66 0.00 4.64 -1.15 0.59 113.55 119.41 3hov h SER 1358Ca -0.02 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 3hov h SER 1358Cb 1.14 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 3hov h SER 1358CO 0.02 0.96 0.00 -0.78 -0.87 0.00 0.00 176.83 176.15 3hov h ASP 1359N 1.19 0.00 0.00 4.97 1.82 -1.66 -3.46 116.42 119.28 3hov h ASP 1359Ca 0.28 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.92 3hov h ASP 1359Cb 0.16 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.17 3hov h ASP 1359CO -0.03 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.21 3hov n GLY 1360N -0.30 0.88 3.98 -0.78 0.00 0.20 -5.08 105.19 104.09 3hov n GLY 1360Ca 0.00 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 3hov n GLY 1360CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hov s SER 1361N -2.01 5.11 -0.04 1.61 0.01 -1.09 -5.00 113.70 112.29 3hov s SER 1361Ca 0.00 -0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.11 3hov s SER 1361Cb 0.00 -0.63 0.03 0.00 0.21 0.00 0.00 66.02 65.63 3hov s SER 1361CO 0.00 -1.27 -0.01 -0.47 0.41 0.00 0.00 173.24 171.90 3hov s TYR 1362N -2.80 0.50 -0.12 2.43 5.04 -1.26 -4.21 117.35 116.93 3hov s TYR 1362Ca 0.59 -0.08 -0.00 0.00 -2.44 0.00 0.00 57.07 55.14 3hov s TYR 1362Cb -0.09 -0.56 0.02 0.00 0.35 0.00 0.00 41.96 41.69 3hov s TYR 1362CO 0.39 -0.18 -0.09 0.08 -1.34 0.00 0.00 175.55 174.41 3hov s VAL 1363N 1.17 1.15 0.02 3.14 1.01 -1.26 -4.60 120.40 121.03 3hov s VAL 1363Ca -0.07 -0.37 -0.35 0.00 0.00 0.00 0.00 61.98 61.18 3hov s VAL 1363Cb -0.14 -1.14 -0.14 0.00 0.00 0.00 0.00 36.38 34.97 3hov s VAL 1363CO -0.02 0.39 1.64 -3.20 0.00 0.00 0.00 175.10 173.91 3hov n ASN 1364N 4.84 2.86 -0.18 3.32 2.85 -1.03 -4.84 115.26 123.09 3hov n ASN 1364Ca -0.14 1.06 -0.02 0.00 -0.11 0.00 0.00 54.58 55.36 3hov n ASN 1364Cb 0.50 -1.34 -0.01 0.00 1.24 0.00 0.00 39.78 40.18 3hov n ASN 1364CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3hov n TYR 1365N 4.43 -0.08 -0.38 1.20 -0.00 -1.26 -1.30 117.16 119.77 3hov n TYR 1365Ca 0.20 0.55 0.34 0.00 -0.00 0.00 0.00 57.90 58.99 3hov n TYR 1365Cb 0.25 -0.61 0.59 0.00 -0.00 0.00 0.00 39.34 39.58 3hov n TYR 1365CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.86 179.75 3hov n ARG 1366N -4.61 -0.04 0.35 2.98 1.85 -1.26 -1.33 116.66 114.60 3hov n ARG 1366Ca 0.03 1.19 -0.14 0.00 -1.00 0.00 0.00 57.85 57.92 3hov n ARG 1366Cb 0.15 -2.26 -0.07 0.00 -1.05 0.00 0.00 32.46 29.23 3hov n ARG 1366CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3hov h HIS 1367N 0.00 -0.85 -0.18 2.89 3.86 -1.54 -1.23 115.15 118.09 3hov h HIS 1367Ca 0.80 -0.02 0.03 0.00 -1.16 0.00 0.00 60.37 60.01 3hov h HIS 1367Cb 2.41 0.28 -0.03 0.00 1.06 0.00 0.00 27.41 31.14 3hov h HIS 1367CO -0.01 -0.53 0.01 0.52 0.86 0.00 0.00 177.93 178.79 3hov h MET 1368N -1.24 0.07 -0.45 2.45 2.86 -1.48 -2.47 114.93 114.67 3hov h MET 1368Ca -0.09 -0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.59 3hov h MET 1368Cb 0.71 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 32.28 3hov h MET 1368CO 0.15 0.05 -0.39 0.00 1.06 0.00 0.00 176.91 177.79 3hov h ALA 1369N 1.15 -0.51 -0.85 6.32 0.00 -1.24 0.11 119.26 124.23 3hov h ALA 1369Ca 0.08 0.03 0.17 0.00 0.00 0.00 0.00 54.91 55.20 3hov h ALA 1369Cb 0.10 1.11 -0.16 0.00 0.00 0.00 0.00 17.79 18.83 3hov h ALA 1369CO -0.13 -0.74 -0.20 1.25 0.00 0.00 0.00 179.25 179.43 3hov h LEU 1370N -0.15 -0.77 0.76 0.00 7.12 -0.86 0.33 115.31 121.74 3hov h LEU 1370Ca 0.07 0.25 -0.03 0.00 0.13 0.00 0.00 57.88 58.31 3hov h LEU 1370Cb 0.35 0.52 -0.00 0.00 -0.53 0.00 0.00 40.66 40.99 3hov h LEU 1370CO -0.50 -0.28 -0.47 0.25 -0.13 0.00 0.00 178.44 177.30 3hov h LEU 1371N 0.00 -1.19 -0.72 2.25 5.85 -0.72 -1.37 115.31 119.42 3hov h LEU 1371Ca 0.41 0.07 0.16 0.00 0.84 0.00 0.00 57.88 59.36 3hov h LEU 1371Cb 0.64 0.35 -0.13 0.00 0.37 0.00 0.00 40.66 41.89 3hov h LEU 1371CO -0.87 -0.73 -0.07 0.58 -0.34 0.00 0.00 178.44 177.02 3hov h VAL 1372N -1.16 0.33 -0.28 1.05 2.07 0.44 -0.61 116.25 118.09 3hov h VAL 1372Ca -0.10 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3hov h VAL 1372Cb 0.93 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3hov h VAL 1372CO 0.10 0.01 0.19 0.44 0.02 0.00 0.00 177.57 178.33 3hov h ASP 1373N 0.06 0.33 -0.36 0.57 3.32 -0.24 -2.24 116.42 117.86 3hov h ASP 1373Ca 0.38 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.44 3hov h ASP 1373Cb 0.63 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 3hov h ASP 1373CO -0.68 0.24 0.24 0.58 -1.72 0.00 0.00 179.24 177.90 3hov h VAL 1374N 0.39 1.05 0.00 -1.35 2.07 0.00 0.19 116.25 118.60 3hov h VAL 1374Ca 0.10 -0.14 -0.09 0.00 0.82 0.00 0.00 66.70 67.40 3hov h VAL 1374Cb -0.04 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3hov h VAL 1374CO -0.02 0.08 -0.41 0.24 0.02 0.00 0.00 177.57 177.47 3hov h MET 1375N 0.41 0.00 0.00 1.57 2.86 -0.65 -3.36 114.93 115.76 3hov h MET 1375Ca 0.14 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.50 3hov h MET 1375Cb 0.05 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.66 3hov h MET 1375CO -0.03 0.41 -2.07 0.25 1.06 0.00 0.00 176.91 176.53 3hov n THR 1376N -3.64 1.04 -0.09 2.22 -2.24 -0.27 -1.15 114.28 110.15 3hov n THR 1376Ca -0.01 -0.66 -0.02 0.00 -2.27 0.00 0.00 64.05 61.09 3hov n THR 1376Cb 0.51 -0.55 -0.02 0.00 -2.10 0.00 0.00 70.33 68.17 3hov n THR 1376CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3hov n THR 1377N -2.56 -0.15 -0.59 4.28 -2.24 0.52 -0.82 114.28 112.72 3hov n THR 1377Ca -0.25 1.60 0.47 0.00 -2.27 0.00 0.00 64.05 63.60 3hov n THR 1377Cb 0.99 -2.08 0.75 0.00 -2.10 0.00 0.00 70.33 67.89 3hov n THR 1377CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3hov h GLN 1378N 0.00 0.00 0.00 -0.78 4.20 -1.86 -3.43 115.11 113.24 3hov h GLN 1378Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 3hov h GLN 1378Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 3hov h GLN 1378CO -0.20 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.37 3hov n GLY 1379N -1.87 2.16 0.00 3.46 0.00 -0.00 -5.11 105.19 103.83 3hov n GLY 1379Ca 0.39 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3hov n GLY 1379CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hov n GLY 1380N 0.00 3.47 2.92 -0.02 0.00 -1.25 -4.89 105.19 105.42 3hov n GLY 1380Ca 0.00 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 3hov n GLY 1380CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hov s LEU 1381N 0.00 4.25 -0.08 0.99 1.43 -1.26 -4.10 118.68 119.90 3hov s LEU 1381Ca 0.00 -3.11 -0.30 0.00 -1.03 0.00 0.00 54.13 49.69 3hov s LEU 1381Cb 0.00 -1.59 -0.02 0.00 0.03 0.00 0.00 46.19 44.61 3hov s LEU 1381CO 0.00 -0.21 1.04 -0.89 0.23 0.00 0.00 176.35 176.51 3hov s THR 1382N -0.41 4.70 0.27 5.49 2.01 -0.30 -4.98 115.64 122.41 3hov s THR 1382Ca 0.18 1.97 -0.29 0.00 0.31 0.00 0.00 61.69 63.86 3hov s THR 1382Cb -0.23 -4.26 -0.09 0.00 0.01 0.00 0.00 72.50 67.93 3hov s THR 1382CO -0.02 0.02 0.99 -0.94 -0.69 0.00 0.00 174.62 173.98 3hov s SER 1383N 1.14 7.47 -1.27 3.53 1.04 -1.26 -4.69 113.70 119.65 3hov s SER 1383Ca 0.50 2.04 -0.16 0.00 0.48 0.00 0.00 55.95 58.81 3hov s SER 1383Cb -0.20 -2.61 -0.02 0.00 0.10 0.00 0.00 66.02 63.29 3hov s SER 1383CO 0.20 0.02 2.20 0.52 0.98 0.00 0.00 173.24 177.16 3hov n VAL 1384N 1.23 3.06 -3.72 5.02 0.31 -0.16 -0.92 118.33 123.14 3hov n VAL 1384Ca -0.01 -2.55 -0.13 0.00 -0.01 0.00 0.00 64.34 61.64 3hov n VAL 1384Cb 0.47 -2.52 -0.07 0.00 -0.91 0.00 0.00 33.84 30.80 3hov n VAL 1384CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3hov s THR 1385N 3.60 0.06 0.57 2.52 -1.32 -1.26 -4.79 115.64 115.02 3hov s THR 1385Ca 0.51 -0.53 0.39 0.00 -1.21 0.00 0.00 61.69 60.85 3hov s THR 1385Cb 0.14 -0.84 0.57 0.00 -1.51 0.00 0.00 72.50 70.86 3hov s THR 1385CO -0.03 -0.29 1.63 -0.09 -2.21 0.00 0.00 174.62 173.63 3hov h ARG 1386N 3.37 0.00 0.13 7.08 2.43 -1.98 0.59 114.38 126.00 3hov h ARG 1386Ca -0.31 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.67 3hov h ARG 1386Cb 1.19 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.76 3hov h ARG 1386CO 0.43 0.00 -0.87 0.45 -1.51 0.00 0.00 179.97 178.48 3hov h HIS 1387N 0.00 0.51 0.00 2.20 -0.00 -1.95 -3.40 115.15 112.52 3hov h HIS 1387Ca 0.64 -0.37 0.00 0.00 -0.00 0.00 0.00 60.37 60.64 3hov h HIS 1387Cb 2.82 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 30.21 3hov h HIS 1387CO 0.00 1.33 0.00 0.41 -0.00 0.00 0.00 177.93 179.67 3hov n GLY 1388N 1.67 0.72 0.21 2.45 0.00 0.21 -4.49 105.19 105.96 3hov n GLY 1388Ca -0.15 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.85 3hov n GLY 1388CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 3hov h PHE 1389N 0.00 0.28 0.00 1.61 -5.15 -0.94 -2.44 116.94 110.30 3hov h PHE 1389Ca 0.00 0.03 0.00 0.00 -0.20 0.00 0.00 57.97 57.80 3hov h PHE 1389Cb 0.00 -0.05 0.00 0.00 0.22 0.00 0.00 35.95 36.12 3hov h PHE 1389CO 0.00 0.06 0.00 -1.71 -2.00 0.00 0.00 178.31 174.66 3hov n ASN 1390N -5.04 0.00 -0.73 -0.68 5.15 -1.25 -2.26 115.26 110.45 3hov n ASN 1390Ca 0.06 -0.13 0.08 0.00 -0.60 0.00 0.00 54.58 53.99 3hov n ASN 1390Cb 0.23 0.00 0.23 0.00 -0.53 0.00 0.00 39.78 39.72 3hov n ASN 1390CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3hov n ARG 1391N -0.52 2.51 0.00 1.20 5.12 -0.92 -4.95 116.66 119.10 3hov n ARG 1391Ca 0.00 -2.81 0.00 0.00 -1.93 0.00 0.00 57.85 53.11 3hov n ARG 1391Cb 0.00 -1.77 0.00 0.00 -1.16 0.00 0.00 32.46 29.53 3hov n ARG 1391CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3hov n SER 1392N -0.75 0.00 -0.57 0.55 3.41 -0.96 -5.00 113.62 110.30 3hov n SER 1392Ca 0.21 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.94 3hov n SER 1392Cb 0.85 0.00 0.17 0.00 -0.26 0.00 0.00 64.21 64.97 3hov n SER 1392CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3hov n ASN 1393N 0.00 2.02 -4.27 4.04 3.02 -1.26 -4.95 115.26 113.86 3hov n ASN 1393Ca 0.00 -1.52 -0.34 0.00 -0.03 0.00 0.00 54.58 52.69 3hov n ASN 1393Cb 0.00 0.22 0.11 0.00 -0.61 0.00 0.00 39.78 39.50 3hov n ASN 1393CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3hov n THR 1394N 0.25 0.00 -1.82 3.41 -2.24 -1.26 -4.82 114.28 107.80 3hov n THR 1394Ca 0.12 -0.27 -0.38 0.00 -2.27 0.00 0.00 64.05 61.25 3hov n THR 1394Cb 0.47 -0.44 0.03 0.00 -2.10 0.00 0.00 70.33 68.29 3hov n THR 1394CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3hov s GLY 1395N -1.69 2.88 0.17 3.38 0.00 -1.26 -4.80 107.32 106.00 3hov s GLY 1395Ca 0.52 1.32 -0.24 0.00 0.00 0.00 0.00 44.72 46.32 3hov s GLY 1395CO 0.71 1.85 1.58 0.00 0.00 0.00 0.00 173.10 177.24 3hov h ALA 1396N 1.63 -0.23 -0.88 3.20 0.00 -1.91 -0.06 119.26 121.02 3hov h ALA 1396Ca -0.51 0.12 0.19 0.00 0.00 0.00 0.00 54.91 54.71 3hov h ALA 1396Cb 1.29 0.84 -0.11 0.00 0.00 0.00 0.00 17.79 19.81 3hov h ALA 1396CO 0.58 -0.77 0.40 -0.07 0.00 0.00 0.00 179.25 179.39 3hov h LEU 1397N -0.23 0.39 0.43 0.00 3.38 -1.96 0.30 115.31 117.62 3hov h LEU 1397Ca 0.19 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 3hov h LEU 1397Cb 0.56 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3hov h LEU 1397CO -0.64 0.07 -0.21 -0.03 0.09 0.00 0.00 178.44 177.73 3hov h MET 1398N 0.47 -0.56 -0.74 1.13 4.05 -1.41 -3.24 114.93 114.63 3hov h MET 1398Ca 0.52 0.04 0.03 0.00 -0.28 0.00 0.00 59.70 60.01 3hov h MET 1398Cb 0.92 0.13 -0.04 0.00 -0.80 0.00 0.00 31.60 31.80 3hov h MET 1398CO -0.47 -0.28 0.47 0.00 0.23 0.00 0.00 176.91 176.85 3hov h ARG 1399N -0.77 0.90 0.00 0.39 3.08 -0.46 -2.17 114.38 115.35 3hov h ARG 1399Ca -0.06 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.94 3hov h ARG 1399Cb 0.53 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.38 3hov h ARG 1399CO 0.10 0.59 0.00 0.00 -1.07 0.00 0.00 179.97 179.59 3hov n SER 1401N -1.10 4.92 -3.63 0.00 3.41 -0.82 -3.87 113.62 112.53 3hov n SER 1401Ca 0.02 -2.90 -0.12 0.00 -0.26 0.00 0.00 58.87 55.61 3hov n SER 1401Cb 0.02 -0.68 -0.07 0.00 -0.26 0.00 0.00 64.21 63.21 3hov n SER 1401CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3hov s PHE 1402N -2.59 -0.81 0.00 7.33 5.36 -0.96 -4.89 117.98 121.42 3hov s PHE 1402Ca 0.48 1.86 0.00 0.00 -0.96 0.00 0.00 56.93 58.31 3hov s PHE 1402Cb 0.37 0.36 0.00 0.00 -0.34 0.00 0.00 43.02 43.41 3hov s PHE 1402CO 0.13 -0.39 0.00 0.39 -1.46 0.00 0.00 175.22 173.89 3hov n GLU 1403N 3.00 0.00 -0.81 10.12 -0.58 -1.26 -4.12 120.64 126.99 3hov n GLU 1403Ca -0.15 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.58 3hov n GLU 1403Cb 0.56 0.00 0.19 0.00 -0.57 0.00 0.00 31.44 31.62 3hov n GLU 1403CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3hov n GLU 1404N 0.00 1.85 0.00 3.49 1.02 -1.26 -4.94 120.64 120.80 3hov n GLU 1404Ca 0.00 -3.33 0.00 0.00 -0.02 0.00 0.00 57.16 53.81 3hov n GLU 1404Cb 0.00 -1.76 0.00 0.00 -0.02 0.00 0.00 31.44 29.66 3hov n GLU 1404CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3hov n THR 1405N -1.09 0.00 0.11 2.62 -1.04 -1.25 -1.07 114.28 112.55 3hov n THR 1405Ca 0.28 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.29 3hov n THR 1405Cb 0.86 0.00 0.30 0.00 -1.82 0.00 0.00 70.33 69.67 3hov n THR 1405CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3hov h VAL 1406N 0.00 1.25 -0.53 12.58 2.07 -1.88 -1.48 116.25 128.26 3hov h VAL 1406Ca 0.00 -1.19 -0.11 0.00 0.82 0.00 0.00 66.70 66.22 3hov h VAL 1406Cb 0.00 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 3hov h VAL 1406CO 0.00 0.36 -0.10 -0.33 0.02 0.00 0.00 177.57 177.52 3hov h GLU 1407N 0.21 0.99 -0.51 1.57 3.07 -1.51 0.86 114.58 119.25 3hov h GLU 1407Ca 0.03 -0.35 -0.11 0.00 -0.50 0.00 0.00 59.36 58.43 3hov h GLU 1407Cb 0.62 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.44 3hov h GLU 1407CO 0.04 1.03 -0.11 0.82 -1.40 0.00 0.00 179.01 179.39 3hov h ILE 1408N 0.88 1.27 -0.01 3.13 2.04 -0.76 -2.35 117.51 121.71 3hov h ILE 1408Ca 0.14 -1.25 -0.13 0.00 1.00 0.00 0.00 64.86 64.62 3hov h ILE 1408Cb 0.65 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 3hov h ILE 1408CO 0.04 0.44 -0.61 -0.07 0.00 0.00 0.00 178.15 177.95 3hov h LEU 1409N 0.86 0.03 -0.08 1.44 3.38 -0.99 -2.36 115.31 117.58 3hov h LEU 1409Ca 0.14 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3hov h LEU 1409Cb 0.66 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 3hov h LEU 1409CO 0.05 0.63 -0.02 -0.26 0.09 0.00 0.00 178.44 178.93 3hov h PHE 1410N 0.02 0.18 0.00 1.13 0.05 -0.57 -2.50 116.94 115.24 3hov h PHE 1410Ca -0.01 -0.04 -0.01 0.00 3.82 0.00 0.00 57.97 61.73 3hov h PHE 1410Cb 1.08 -0.04 -0.00 0.00 2.00 0.00 0.00 35.95 38.99 3hov h PHE 1410CO 0.00 0.48 -0.06 1.49 -0.18 0.00 0.00 178.31 180.04 3hov h GLU 1411N -0.17 0.00 -0.43 1.51 4.57 -1.41 -1.49 114.58 117.16 3hov h GLU 1411Ca 0.02 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.09 3hov h GLU 1411Cb 0.42 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 3hov h GLU 1411CO 0.01 0.06 -0.17 0.00 -1.18 0.00 0.00 179.01 177.72 3hov h ALA 1412N 1.94 0.60 -0.15 2.92 0.00 -0.99 -2.30 119.26 121.28 3hov h ALA 1412Ca -0.00 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.40 3hov h ALA 1412Cb 0.17 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3hov h ALA 1412CO 0.01 0.54 -0.47 0.78 0.00 0.00 0.00 179.25 180.10 3hov h GLY 1413N 0.69 0.64 2.00 0.00 0.00 -0.99 -1.71 103.07 103.70 3hov h GLY 1413Ca 0.10 -0.83 0.00 0.00 0.00 0.00 0.00 47.33 46.59 3hov h GLY 1413CO 0.06 0.75 0.00 0.00 0.00 0.00 0.00 176.54 177.34 3hov h ALA 1414N 0.53 1.00 -0.09 3.60 0.00 -1.38 -2.32 119.26 120.61 3hov h ALA 1414Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hov h ALA 1414Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3hov h ALA 1414CO 0.10 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.78 3hov n SER 1415N -3.03 2.14 -3.97 0.00 7.64 -0.87 -4.73 113.62 110.81 3hov n SER 1415Ca -0.01 -1.90 -0.26 0.00 1.01 0.00 0.00 58.87 57.70 3hov n SER 1415Cb 0.16 -0.06 -0.02 0.00 -1.01 0.00 0.00 64.21 63.28 3hov n SER 1415CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hov n ALA 1416N -0.18 -1.96 -0.70 -0.43 0.00 -0.87 -4.87 120.51 111.50 3hov n ALA 1416Ca 0.03 -0.25 -0.30 0.00 0.00 0.00 0.00 53.44 52.92 3hov n ALA 1416Cb 0.27 -1.62 0.18 0.00 0.00 0.00 0.00 19.45 18.28 3hov n ALA 1416CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3hov s GLU 1417N -6.59 0.61 -0.10 0.00 2.02 -0.69 -4.66 118.70 109.29 3hov s GLU 1417Ca 0.05 1.35 -0.01 0.00 0.02 0.00 0.00 54.97 56.39 3hov s GLU 1417Cb -0.03 -1.69 0.03 0.00 0.10 0.00 0.00 34.13 32.53 3hov s GLU 1417CO 0.89 -2.85 -0.05 -1.17 0.02 0.00 0.00 175.26 172.11 3hov s LEU 1418N -6.72 0.97 -0.19 1.80 2.96 -1.26 -1.53 118.68 114.71 3hov s LEU 1418Ca 0.67 -0.23 -0.12 0.00 -0.22 0.00 0.00 54.13 54.23 3hov s LEU 1418Cb -0.23 -0.70 -0.05 0.00 0.50 0.00 0.00 46.19 45.72 3hov s LEU 1418CO 0.59 -0.15 0.23 -0.62 -1.32 0.00 0.00 176.35 175.09 3hov s ASP 1419N 1.80 6.31 0.36 3.68 -1.08 -0.32 -4.91 116.67 122.51 3hov s ASP 1419Ca 0.05 0.35 0.08 0.00 -0.52 0.00 0.00 52.55 52.51 3hov s ASP 1419Cb -0.12 -2.14 0.69 0.00 -1.46 0.00 0.00 42.92 39.88 3hov s ASP 1419CO -0.07 0.10 1.87 0.44 0.52 0.00 0.00 175.17 178.03 3hov h ASP 1420N 6.87 0.29 -2.94 -0.34 3.32 -1.90 -2.33 116.42 119.39 3hov h ASP 1420Ca -0.40 -0.07 -0.20 0.00 0.02 0.00 0.00 57.03 56.38 3hov h ASP 1420Cb 1.16 -0.08 0.05 0.00 0.22 0.00 0.00 39.33 40.68 3hov h ASP 1420CO 0.74 0.46 -0.32 0.00 -1.72 0.00 0.00 179.24 178.40 3hov n ARG 1422N -2.57 0.30 -2.79 0.00 1.74 -1.26 -4.78 116.66 107.30 3hov n ARG 1422Ca -0.03 -0.09 -0.35 0.00 -0.77 0.00 0.00 57.85 56.61 3hov n ARG 1422Cb 0.55 -1.51 -0.07 0.00 -1.02 0.00 0.00 32.46 30.41 3hov n ARG 1422CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3hov s GLY 1423N -3.69 2.60 0.14 -0.13 0.00 -1.26 -4.82 107.32 100.15 3hov s GLY 1423Ca 0.01 0.47 -0.25 0.00 0.00 0.00 0.00 44.72 44.94 3hov s GLY 1423CO 0.89 0.83 1.61 -2.08 0.00 0.00 0.00 173.10 174.35 3hov h VAL 1424N 2.25 0.30 -0.78 1.40 2.07 -1.93 -2.44 116.25 117.11 3hov h VAL 1424Ca -0.48 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.17 3hov h VAL 1424Cb 1.19 0.30 -0.09 0.00 -1.52 0.00 0.00 31.29 31.17 3hov h VAL 1424CO 0.63 0.00 0.37 0.28 0.02 0.00 0.00 177.57 178.87 3hov h SER 1425N -0.37 0.44 -1.00 0.57 0.02 -1.95 -1.85 113.55 109.42 3hov h SER 1425Ca 0.10 0.09 0.07 0.00 -0.84 0.00 0.00 61.79 61.21 3hov h SER 1425Cb 0.53 0.02 -0.07 0.00 0.14 0.00 0.00 62.40 63.02 3hov h SER 1425CO -0.37 0.21 0.64 -0.33 -1.14 0.00 0.00 176.83 175.84 3hov h GLU 1426N 0.57 1.12 -0.22 3.45 4.39 -1.75 0.07 114.58 122.21 3hov h GLU 1426Ca 0.41 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.97 3hov h GLU 1426Cb 0.55 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 28.94 3hov h GLU 1426CO -0.34 0.74 -0.15 -0.91 -1.16 0.00 0.00 179.01 177.19 3hov h ASN 1427N 1.15 0.51 -0.84 1.42 2.35 -1.30 -0.65 115.58 118.22 3hov h ASN 1427Ca 0.44 -0.44 0.10 0.00 -0.55 0.00 0.00 56.30 55.84 3hov h ASN 1427Cb 0.20 -0.14 -0.07 0.00 0.05 0.00 0.00 38.32 38.35 3hov h ASN 1427CO -0.18 0.84 0.49 0.58 -1.65 0.00 0.00 177.43 177.51 3hov h VAL 1428N 0.18 0.90 -0.03 2.81 2.07 -0.62 0.94 116.25 122.51 3hov h VAL 1428Ca 0.04 -0.28 -0.11 0.00 0.82 0.00 0.00 66.70 67.18 3hov h VAL 1428Cb 0.67 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 3hov h VAL 1428CO 0.04 0.15 -0.47 0.40 0.02 0.00 0.00 177.57 177.71 3hov h ILE 1429N 0.81 1.34 0.00 4.57 2.04 -0.82 -2.96 117.51 122.49 3hov h ILE 1429Ca 0.41 -1.64 0.00 0.00 1.00 0.00 0.00 64.86 64.63 3hov h ILE 1429Cb 0.38 1.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 3hov h ILE 1429CO -0.25 0.47 -0.77 0.18 0.00 0.00 0.00 178.15 177.78 3hov n LEU 1430N -3.98 0.62 -1.64 1.44 4.77 -0.27 -4.97 117.00 112.98 3hov n LEU 1430Ca -0.02 -0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.88 3hov n LEU 1430Cb 0.50 -0.16 0.03 0.00 -2.33 0.00 0.00 43.42 41.46 3hov n LEU 1430CO 0.41 0.07 0.08 0.61 -1.33 0.00 0.00 177.39 177.23 3hov n GLY 1431N 1.42 0.39 3.51 -0.72 0.00 0.31 -5.05 105.19 105.05 3hov n GLY 1431Ca 0.04 -0.33 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 3hov n GLY 1431CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hov s GLN 1432N -5.36 1.82 -0.27 1.61 -0.21 -0.64 -5.04 119.66 111.58 3hov s GLN 1432Ca 0.19 -1.58 -0.29 0.00 0.02 0.00 0.00 55.36 53.70 3hov s GLN 1432Cb -0.08 -1.92 -0.02 0.00 1.00 0.00 0.00 33.01 31.99 3hov s GLN 1432CO 0.26 0.36 1.61 1.41 -2.12 0.00 0.00 175.29 176.82 3hov s MET 1433N -3.28 3.68 0.73 2.91 -2.45 -1.26 -4.48 119.30 115.13 3hov s MET 1433Ca 0.28 1.50 -0.14 0.00 -1.25 0.00 0.00 55.69 56.08 3hov s MET 1433Cb -0.06 -4.06 0.04 0.00 1.25 0.00 0.00 34.83 31.99 3hov s MET 1433CO 0.15 -1.44 1.16 0.00 1.05 0.00 0.00 175.02 175.94 3hov s ALA 1434N 5.54 2.19 -1.42 4.11 0.00 -1.26 -4.89 121.76 126.03 3hov s ALA 1434Ca 0.71 0.69 -0.12 0.00 0.00 0.00 0.00 51.96 53.25 3hov s ALA 1434Cb -0.23 -3.40 0.07 0.00 0.00 0.00 0.00 23.12 19.56 3hov s ALA 1434CO 0.30 -1.75 2.22 -2.30 0.00 0.00 0.00 175.76 174.24 3hov n PRO 1435N -2.82 3.30 -3.88 0.00 -0.02 -1.26 -4.21 135.00 126.11 3hov n PRO 1435Ca 0.12 -2.88 -0.12 0.00 -2.02 0.00 0.00 63.50 58.60 3hov n PRO 1435Cb 0.51 -3.08 -0.14 0.00 -0.02 0.00 0.00 33.50 30.77 3hov n PRO 1435CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3hov s ILE 1436N 1.95 0.01 0.00 4.25 -4.36 -1.26 -4.41 121.20 117.38 3hov s ILE 1436Ca 0.48 -0.07 0.00 0.00 -0.26 0.00 0.00 60.65 60.80 3hov s ILE 1436Cb 0.13 -0.04 0.00 0.00 1.25 0.00 0.00 42.46 43.81 3hov s ILE 1436CO -0.06 -0.04 0.00 0.61 0.24 0.00 0.00 174.94 175.69 3hov n GLY 1437N 2.96 2.70 0.29 6.27 0.00 -1.03 0.20 105.19 116.59 3hov n GLY 1437Ca -0.13 0.05 0.18 0.00 0.00 0.00 0.00 46.02 46.11 3hov n GLY 1437CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hov n THR 1438N 0.00 0.00 0.09 2.61 -1.04 -1.26 0.68 114.28 115.36 3hov n THR 1438Ca 0.00 0.67 0.09 0.00 -2.04 0.00 0.00 64.05 62.77 3hov n THR 1438Cb 0.00 -1.18 0.18 0.00 -1.82 0.00 0.00 70.33 67.52 3hov n THR 1438CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3hov n GLY 1439N -1.30 1.81 0.00 3.41 0.00 0.13 -4.55 105.19 104.69 3hov n GLY 1439Ca 0.15 -0.57 0.08 0.00 0.00 0.00 0.00 46.02 45.68 3hov n GLY 1439CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hov n ALA 1440N 1.08 2.20 -3.63 4.61 0.00 0.21 -4.06 120.51 120.93 3hov n ALA 1440Ca 0.16 -0.10 -0.08 0.00 0.00 0.00 0.00 53.44 53.41 3hov n ALA 1440Cb 0.50 -1.26 -0.02 0.00 0.00 0.00 0.00 19.45 18.67 3hov n ALA 1440CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3hov s PHE 1441N -2.00 0.10 0.25 0.00 -0.12 -1.26 -5.00 117.98 109.94 3hov s PHE 1441Ca 0.24 -0.57 0.08 0.00 -0.05 0.00 0.00 56.93 56.64 3hov s PHE 1441Cb 0.11 0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 43.03 3hov s PHE 1441CO 0.19 -1.26 0.07 -0.51 -0.05 0.00 0.00 175.22 173.65 3hov s ASP 1442N -3.00 4.93 -0.09 1.98 1.01 -1.26 -5.10 116.67 115.13 3hov s ASP 1442Ca 0.16 -0.47 -0.00 0.00 0.71 0.00 0.00 52.55 52.95 3hov s ASP 1442Cb -0.04 -1.07 0.02 0.00 1.01 0.00 0.00 42.92 42.84 3hov s ASP 1442CO 0.09 0.00 -0.07 -0.69 0.21 0.00 0.00 175.17 174.72 3hov s VAL 1443N -2.17 0.90 0.09 -1.27 1.01 -1.26 -5.14 120.40 112.57 3hov s VAL 1443Ca 0.31 -0.24 0.07 0.00 0.00 0.00 0.00 61.98 62.13 3hov s VAL 1443Cb -0.07 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 3hov s VAL 1443CO 0.21 0.34 -0.19 -0.04 0.00 0.00 0.00 175.10 175.42 3hov s MET 1444N 1.51 1.05 0.07 2.72 -1.94 -1.26 -5.12 119.30 116.32 3hov s MET 1444Ca 0.00 -1.10 -0.30 0.00 -1.71 0.00 0.00 55.69 52.59 3hov s MET 1444Cb -0.13 -1.24 -0.05 0.00 2.01 0.00 0.00 34.83 35.42 3hov s MET 1444CO -0.05 0.29 0.98 0.96 -0.01 0.00 0.00 175.02 177.18 3hov s ILE 1445N -1.18 4.63 -0.83 2.53 -5.25 -1.26 -5.00 121.20 114.84 3hov s ILE 1445Ca 0.04 2.05 -0.13 0.00 -0.99 0.00 0.00 60.65 61.62 3hov s ILE 1445Cb -0.10 -4.31 0.22 0.00 2.95 0.00 0.00 42.46 41.22 3hov s ILE 1445CO 0.04 0.25 0.77 -0.62 -1.79 0.00 0.00 174.94 173.58 3hov s ASP 1446N 0.42 6.67 0.45 4.36 3.68 -1.26 -4.91 116.67 126.09 3hov s ASP 1446Ca 0.49 -2.79 0.41 0.00 2.13 0.00 0.00 52.55 52.79 3hov s ASP 1446Cb -0.23 -2.18 1.41 0.00 -1.45 0.00 0.00 42.92 40.48 3hov s ASP 1446CO 0.29 -0.53 1.27 1.21 0.13 0.00 0.00 175.17 177.54 3hov n GLU 1447N 3.81 0.00 0.00 4.34 0.00 -1.26 -1.59 120.64 125.94 3hov n GLU 1447Ca 0.14 0.88 0.00 0.00 0.00 0.00 0.00 57.16 58.18 3hov n GLU 1447Cb 0.46 -2.04 0.00 0.00 0.00 0.00 0.00 31.44 29.86 3hov n GLU 1447CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3hov n GLU 1448N -3.56 0.00 0.11 5.31 -0.58 -1.26 -3.29 120.64 117.37 3hov n GLU 1448Ca 0.36 0.01 0.19 0.00 -0.42 0.00 0.00 57.16 57.30 3hov n GLU 1448Cb 1.65 -0.81 0.62 0.00 -0.57 0.00 0.00 31.44 32.33 3hov n GLU 1448CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3hov h SER 1449N 0.00 0.00 0.00 1.62 4.64 -1.73 0.21 113.55 118.29 3hov h SER 1449Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hov h SER 1449Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hov h SER 1449CO 0.00 0.00 0.00 -0.11 -0.87 0.00 0.00 176.83 175.85 3hov n LEU 1450N -3.29 0.00 -0.02 5.97 7.94 -0.66 -2.52 117.00 124.42 3hov n LEU 1450Ca 0.08 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.95 3hov n LEU 1450Cb 0.79 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.73 3hov n LEU 1450CO 0.20 0.00 -0.61 0.55 -1.11 0.00 0.00 177.39 176.43 3hov n VAL 1451N -0.90 0.19 0.29 1.96 3.14 0.74 -4.46 118.33 119.28 3hov n VAL 1451Ca 0.10 -0.07 0.15 0.00 -2.96 0.00 0.00 64.34 61.56 3hov n VAL 1451Cb 0.05 -0.62 0.78 0.00 -1.06 0.00 0.00 33.84 32.99 3hov n VAL 1451CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 3hov h LYS 1452N -0.00 0.00 -4.29 1.45 1.57 -1.43 -3.28 116.57 110.59 3hov h LYS 1452Ca -0.07 0.00 -0.75 0.00 -1.87 0.00 0.00 60.65 57.95 3hov h LYS 1452Cb 1.11 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.20 3hov h LYS 1452CO -0.01 0.00 0.65 0.71 -0.57 0.00 0.00 179.45 180.23 3hov s TYR 1453N -3.90 3.65 0.00 -1.35 4.12 -1.05 -4.91 117.35 113.91 3hov s TYR 1453Ca -0.03 -2.03 0.00 0.00 0.02 0.00 0.00 57.07 55.03 3hov s TYR 1453Cb 0.08 -4.06 0.00 0.00 -1.52 0.00 0.00 41.96 36.47 3hov s TYR 1453CO 0.26 -1.20 0.00 0.00 0.02 0.00 0.00 175.55 174.63 3hov n MET 1454N 4.73 0.00 0.00 -0.62 0.00 -1.24 -5.00 117.12 115.00 3hov n MET 1454Ca 0.24 0.00 0.13 0.00 0.00 0.00 0.00 57.70 58.07 3hov n MET 1454Cb 0.45 0.00 0.78 0.00 0.00 0.00 0.00 33.22 34.44 3hov n MET 1454CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62