#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r39 s ARG 5 N 0.00 4.25 0.86 3.44 3.52 -1.26 -5.00 118.95 124.77 1r39 s ARG 5 Ca 0.00 1.85 -0.11 0.00 -0.13 0.00 0.00 55.73 57.34 1r39 s ARG 5 Cb 0.00 -3.72 0.11 0.00 -1.56 0.00 0.00 34.95 29.78 1r39 s ARG 5 CO 0.00 -0.66 1.09 -2.14 -0.81 0.00 0.00 175.30 172.78 1r39 s PRO 6 N 3.10 1.54 -0.10 5.12 0.02 -1.26 -4.98 135.00 138.44 1r39 s PRO 6 Ca 0.61 0.93 -0.26 0.00 0.02 0.00 0.00 61.00 62.30 1r39 s PRO 6 Cb -0.27 -1.83 -0.02 0.00 0.02 0.00 0.00 34.50 32.39 1r39 s PRO 6 CO 0.22 -2.08 0.84 0.99 -0.33 0.00 0.00 177.00 176.64 1r39 s THR 7 N -2.92 4.92 0.23 0.99 2.01 -1.26 -4.98 115.64 114.62 1r39 s THR 7 Ca 0.63 1.70 0.02 0.00 0.31 0.00 0.00 61.69 64.36 1r39 s THR 7 Cb -0.18 -4.16 -0.03 0.00 0.01 0.00 0.00 72.50 68.13 1r39 s THR 7 CO 0.57 0.12 0.38 -0.36 -0.69 0.00 0.00 174.62 174.63 1r39 s PHE 8 N 1.50 3.47 -0.01 4.92 0.40 -1.26 -1.52 117.98 125.48 1r39 s PHE 8 Ca 0.42 0.15 -0.01 0.00 -0.60 0.00 0.00 56.93 56.89 1r39 s PHE 8 Cb -0.18 -1.71 0.00 0.00 0.51 0.00 0.00 43.02 41.64 1r39 s PHE 8 CO 0.18 0.40 0.04 1.52 0.70 0.00 0.00 175.22 178.05 1r39 s TYR 9 N -1.95 -0.03 0.24 0.36 1.13 -0.51 -4.89 117.35 111.71 1r39 s TYR 9 Ca 0.36 0.07 0.05 0.00 -1.41 0.00 0.00 57.07 56.14 1r39 s TYR 9 Cb -0.10 0.01 -0.03 0.00 -1.10 0.00 0.00 41.96 40.73 1r39 s TYR 9 CO 0.30 -0.03 0.36 1.03 -2.51 0.00 0.00 175.55 174.70 1r39 s ARG 10 N -0.06 3.44 -0.16 -3.49 0.52 -1.26 -2.54 118.95 115.41 1r39 s ARG 10 Ca -0.01 -0.74 -0.32 0.00 -0.52 0.00 0.00 55.73 54.14 1r39 s ARG 10 Cb -0.01 -2.88 0.14 0.00 0.52 0.00 0.00 34.95 32.71 1r39 s ARG 10 CO 0.00 0.42 1.12 1.14 0.02 0.00 0.00 175.30 178.00 1r39 s GLN 11 N -3.97 0.44 -0.25 3.54 -2.07 -0.38 -4.99 119.66 111.97 1r39 s GLN 11 Ca 0.34 -0.07 -0.03 0.00 -1.82 0.00 0.00 55.36 53.78 1r39 s GLN 11 Cb -0.09 0.20 0.02 0.00 -1.09 0.00 0.00 33.01 32.05 1r39 s GLN 11 CO 0.29 -0.17 -0.03 -2.00 -1.32 0.00 0.00 175.29 172.05 1r39 s GLU 12 N -2.06 2.91 -0.18 9.60 2.12 -1.26 0.40 118.70 130.22 1r39 s GLU 12 Ca 0.06 -0.94 0.01 0.00 0.36 0.00 0.00 54.97 54.46 1r39 s GLU 12 Cb -0.01 -3.06 0.03 0.00 0.26 0.00 0.00 34.13 31.36 1r39 s GLU 12 CO -0.05 -0.40 -0.12 -0.51 -0.54 0.00 0.00 175.26 173.65 1r39 s LEU 13 N 1.36 2.05 -1.24 2.70 1.43 -0.02 -4.77 118.68 120.18 1r39 s LEU 13 Ca 0.01 -0.73 -0.00 0.00 -1.03 0.00 0.00 54.13 52.38 1r39 s LEU 13 Cb -0.17 -1.21 -0.00 0.00 0.03 0.00 0.00 46.19 44.84 1r39 s LEU 13 CO -0.03 -0.11 0.87 0.59 0.23 0.00 0.00 176.35 177.89 1r39 n ASN 14 N 4.72 -1.75 0.00 2.29 3.02 -1.26 -2.24 115.26 120.05 1r39 n ASN 14 Ca -0.16 -0.71 0.00 0.00 -0.03 0.00 0.00 54.58 53.68 1r39 n ASN 14 Cb 0.48 -4.66 0.00 0.00 -0.61 0.00 0.00 39.78 34.99 1r39 n ASN 14 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1r39 n LYS 15 N -4.18 -0.69 -5.22 3.52 2.85 -1.26 -4.99 118.16 108.19 1r39 n LYS 15 Ca -0.29 0.17 -0.32 0.00 -1.05 0.00 0.00 58.31 56.82 1r39 n LYS 15 Cb 0.67 -3.82 -0.17 0.00 -0.65 0.00 0.00 35.03 31.07 1r39 n LYS 15 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1r39 s THR 16 N -1.81 2.12 -0.13 0.58 2.01 -0.95 -5.10 115.64 112.36 1r39 s THR 16 Ca 0.00 -1.02 -0.25 0.00 0.31 0.00 0.00 61.69 60.72 1r39 s THR 16 Cb 0.00 -1.79 -0.02 0.00 0.01 0.00 0.00 72.50 70.70 1r39 s THR 16 CO 0.00 0.56 0.81 -0.63 -0.69 0.00 0.00 174.62 174.67 1r39 s ILE 17 N 0.07 4.92 -0.16 1.82 1.01 -1.26 -0.84 121.20 126.76 1r39 s ILE 17 Ca -0.11 1.62 -0.01 0.00 0.00 0.00 0.00 60.65 62.15 1r39 s ILE 17 Cb -0.16 -4.13 -0.01 0.00 0.01 0.00 0.00 42.46 38.18 1r39 s ILE 17 CO 0.06 0.10 -0.11 0.26 0.00 0.00 0.00 174.94 175.25 1r39 s TRP 18 N 1.70 2.86 -0.30 3.97 0.52 0.16 -4.96 118.94 122.90 1r39 s TRP 18 Ca 0.39 -0.79 0.01 0.00 0.02 0.00 0.00 56.10 55.74 1r39 s TRP 18 Cb -0.17 -1.93 0.09 0.00 -1.15 0.00 0.00 33.47 30.31 1r39 s TRP 18 CO 0.15 -0.34 0.04 -2.00 0.02 0.00 0.00 176.95 174.82 1r39 s GLU 19 N 0.74 1.24 0.18 4.98 2.12 -1.26 -1.24 118.70 125.45 1r39 s GLU 19 Ca -0.05 -1.30 0.02 0.00 0.36 0.00 0.00 54.97 54.00 1r39 s GLU 19 Cb -0.15 -2.57 -0.05 0.00 0.26 0.00 0.00 34.13 31.62 1r39 s GLU 19 CO 0.02 -0.85 0.01 0.14 -0.54 0.00 0.00 175.26 174.03 1r39 s VAL 20 N 1.32 0.71 0.63 3.70 -7.23 -1.05 -4.65 120.40 113.83 1r39 s VAL 20 Ca 0.05 -1.99 -0.18 0.00 -1.81 0.00 0.00 61.98 58.06 1r39 s VAL 20 Cb -0.18 -2.17 -0.02 0.00 0.56 0.00 0.00 36.38 34.57 1r39 s VAL 20 CO -0.14 -0.44 1.21 -2.84 -0.31 0.00 0.00 175.10 172.59 1r39 s PRO 21 N -3.91 2.78 0.59 4.82 0.02 -1.26 -1.42 135.00 136.60 1r39 s PRO 21 Ca 0.25 1.82 0.39 0.00 0.02 0.00 0.00 61.00 63.48 1r39 s PRO 21 Cb 0.06 -1.90 1.92 0.00 0.02 0.00 0.00 34.50 34.60 1r39 s PRO 21 CO 0.05 -1.36 2.16 1.05 -0.33 0.00 0.00 177.00 178.57 1r39 h GLU 22 N 0.61 0.00 -0.13 5.54 4.11 -1.62 -2.44 114.58 120.65 1r39 h GLU 22 Ca -0.50 0.00 0.04 0.00 0.07 0.00 0.00 59.36 58.97 1r39 h GLU 22 Cb 1.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 1r39 h GLU 22 CO 0.54 0.00 0.13 0.07 0.07 0.00 0.00 179.01 179.82 1r39 h ARG 23 N 0.00 0.00 -5.46 1.06 0.11 -1.90 -3.38 114.38 104.80 1r39 h ARG 23 Ca 0.00 0.00 -0.62 0.00 0.10 0.00 0.00 59.98 59.46 1r39 h ARG 23 Cb 0.19 0.00 -0.13 0.00 1.11 0.00 0.00 29.97 31.15 1r39 h ARG 23 CO 0.00 0.00 0.11 0.71 0.10 0.00 0.00 179.97 180.89 1r39 s TYR 24 N -4.74 3.22 0.34 4.08 2.02 -0.92 -0.73 117.35 120.62 1r39 s TYR 24 Ca -0.05 0.57 0.08 0.00 -0.37 0.00 0.00 57.07 57.31 1r39 s TYR 24 Cb 0.16 -2.94 -0.07 0.00 -0.40 0.00 0.00 41.96 38.71 1r39 s TYR 24 CO 0.58 -0.45 -0.06 -0.65 -1.57 0.00 0.00 175.55 173.40 1r39 s GLN 25 N 2.55 1.76 -1.31 -0.62 -1.52 0.09 -4.83 119.66 115.79 1r39 s GLN 25 Ca 0.24 -1.92 -0.07 0.00 -1.95 0.00 0.00 55.36 51.66 1r39 s GLN 25 Cb -0.15 -1.51 -0.00 0.00 -0.22 0.00 0.00 33.01 31.12 1r39 s GLN 25 CO 0.11 0.07 0.57 0.09 -0.25 0.00 0.00 175.29 175.88 1r39 n ASN 26 N -0.76 -1.99 -4.75 5.90 3.02 -1.26 -0.78 115.26 114.64 1r39 n ASN 26 Ca -0.05 -1.00 -0.41 0.00 -0.03 0.00 0.00 54.58 53.09 1r39 n ASN 26 Cb 0.64 -3.24 -0.02 0.00 -0.61 0.00 0.00 39.78 36.55 1r39 n ASN 26 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1r39 s LEU 27 N -6.79 4.37 -0.11 3.41 1.02 -1.26 -4.49 118.68 114.83 1r39 s LEU 27 Ca 0.16 2.77 -0.03 0.00 0.02 0.00 0.00 54.13 57.04 1r39 s LEU 27 Cb -0.06 -3.63 0.05 0.00 0.02 0.00 0.00 46.19 42.57 1r39 s LEU 27 CO 0.87 -0.76 0.06 -0.55 0.02 0.00 0.00 176.35 176.00 1r39 s SER 28 N 0.33 1.85 -0.18 2.29 0.15 0.18 -4.94 113.70 113.38 1r39 s SER 28 Ca 0.60 -0.31 -0.36 0.00 0.70 0.00 0.00 55.95 56.58 1r39 s SER 28 Cb -0.44 -0.25 -0.13 0.00 -1.71 0.00 0.00 66.02 63.49 1r39 s SER 28 CO 0.46 -0.29 1.88 -2.65 1.20 0.00 0.00 173.24 173.84 1r39 n PRO 29 N 5.25 1.75 -0.22 5.44 -0.02 -1.26 -0.12 135.00 145.83 1r39 n PRO 29 Ca -0.06 0.63 0.09 0.00 -2.02 0.00 0.00 63.50 62.14 1r39 n PRO 29 Cb 0.49 -2.48 0.18 0.00 -0.02 0.00 0.00 33.50 31.67 1r39 n PRO 29 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1r39 n VAL 30 N 5.26 2.03 0.00 -1.45 0.24 -0.01 -4.87 118.33 119.53 1r39 n VAL 30 Ca 0.26 -2.23 0.00 0.00 -2.04 0.00 0.00 64.34 60.33 1r39 n VAL 30 Cb 0.24 -0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.36 1r39 n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1r39 n GLY 31 N -1.17 0.82 3.20 7.63 0.00 -1.21 -4.95 105.19 109.52 1r39 n GLY 31 Ca 0.18 -2.11 -0.02 0.00 0.00 0.00 0.00 46.02 44.06 1r39 n GLY 31 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1r39 n SER 32 N 1.62 -1.44 0.00 1.61 3.41 -1.26 -1.56 113.62 116.00 1r39 n SER 32 Ca 0.00 -1.75 0.00 0.00 -0.26 0.00 0.00 58.87 56.86 1r39 n SER 32 Cb 0.00 2.34 0.00 0.00 -0.26 0.00 0.00 64.21 66.29 1r39 n SER 32 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r39 n GLY 33 N -0.61 -0.79 0.27 5.00 0.00 -1.12 -4.96 105.19 102.99 1r39 n GLY 33 Ca -0.02 -0.73 0.14 0.00 0.00 0.00 0.00 46.02 45.41 1r39 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r39 h ALA 34 N 0.00 1.27 0.16 4.61 0.00 -2.03 -2.93 119.26 120.34 1r39 h ALA 34 Ca 0.00 -0.09 -0.30 0.00 0.00 0.00 0.00 54.91 54.52 1r39 h ALA 34 Cb 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 17.81 1r39 h ALA 34 CO 0.00 0.12 -1.27 0.10 0.00 0.00 0.00 179.25 178.20 1r39 h TYR 35 N 0.00 0.98 0.00 0.00 -0.00 -1.94 -3.46 116.97 112.55 1r39 h TYR 35 Ca -0.00 -0.64 0.00 0.00 0.00 0.00 0.00 58.73 58.09 1r39 h TYR 35 Cb 0.29 -0.07 0.00 0.00 0.00 0.00 0.00 36.73 36.96 1r39 h TYR 35 CO 0.00 1.49 0.00 0.41 -0.00 0.00 0.00 178.16 180.06 1r39 n GLY 36 N 1.48 0.50 3.84 0.10 0.00 -1.11 -2.49 105.19 107.51 1r39 n GLY 36 Ca -0.15 -1.56 -0.33 0.00 0.00 0.00 0.00 46.02 43.99 1r39 n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r39 s SER 37 N 0.00 6.83 -0.04 1.61 0.01 -1.16 -2.80 113.70 118.15 1r39 s SER 37 Ca 0.00 1.48 0.01 0.00 1.31 0.00 0.00 55.95 58.75 1r39 s SER 37 Cb 0.00 -2.46 0.02 0.00 0.21 0.00 0.00 66.02 63.79 1r39 s SER 37 CO 0.00 -0.30 -0.05 -0.69 0.41 0.00 0.00 173.24 172.61 1r39 s VAL 38 N -2.12 0.55 0.10 3.43 1.01 -0.60 -1.24 120.40 121.52 1r39 s VAL 38 Ca 0.58 -0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.48 1r39 s VAL 38 Cb -0.10 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 1r39 s VAL 38 CO 0.17 0.22 -0.17 0.00 0.00 0.00 0.00 175.10 175.31 1r39 s ALA 40 N -1.10 3.78 0.15 0.00 0.00 0.83 -0.57 121.76 124.85 1r39 s ALA 40 Ca 0.18 -0.48 -0.11 0.00 0.00 0.00 0.00 51.96 51.55 1r39 s ALA 40 Cb -0.11 -2.17 0.00 0.00 0.00 0.00 0.00 23.12 20.84 1r39 s ALA 40 CO 0.09 0.61 0.30 0.00 0.00 0.00 0.00 175.76 176.77 1r39 s ALA 41 N -1.41 -0.26 -0.29 0.00 0.00 0.18 -0.65 121.76 119.33 1r39 s ALA 41 Ca 0.33 -0.65 -0.12 0.00 0.00 0.00 0.00 51.96 51.52 1r39 s ALA 41 Cb -0.13 0.75 -0.04 0.00 0.00 0.00 0.00 23.12 23.69 1r39 s ALA 41 CO 0.19 -0.63 0.21 0.12 0.00 0.00 0.00 175.76 175.65 1r39 s PHE 42 N -3.91 3.22 -0.50 0.00 5.36 0.04 -0.10 117.98 122.09 1r39 s PHE 42 Ca 0.12 0.10 -0.20 0.00 -0.96 0.00 0.00 56.93 55.99 1r39 s PHE 42 Cb 0.03 -2.41 0.05 0.00 -0.34 0.00 0.00 43.02 40.35 1r39 s PHE 42 CO -0.04 -0.19 0.66 0.34 -1.46 0.00 0.00 175.22 174.52 1r39 s ASP 43 N 1.75 6.25 0.00 6.13 -1.08 -0.52 -0.73 116.67 128.47 1r39 s ASP 43 Ca 0.08 -0.78 0.19 0.00 -0.52 0.00 0.00 52.55 51.51 1r39 s ASP 43 Cb -0.16 -2.31 0.98 0.00 -1.46 0.00 0.00 42.92 39.97 1r39 s ASP 43 CO 0.11 -0.91 1.56 0.35 0.52 0.00 0.00 175.17 176.79 1r39 n THR 44 N 5.71 0.36 -0.09 1.71 -2.24 0.09 0.52 114.28 120.34 1r39 n THR 44 Ca -0.05 0.09 -0.11 0.00 -2.27 0.00 0.00 64.05 61.71 1r39 n THR 44 Cb 0.46 -0.79 -0.05 0.00 -2.10 0.00 0.00 70.33 67.86 1r39 n THR 44 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1r39 n LYS 45 N -1.23 0.50 0.15 -0.78 4.81 -1.26 -4.48 118.16 115.87 1r39 n LYS 45 Ca 0.10 0.48 0.04 0.00 -0.87 0.00 0.00 58.31 58.05 1r39 n LYS 45 Cb 0.13 -1.65 0.08 0.00 0.02 0.00 0.00 35.03 33.60 1r39 n LYS 45 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 1r39 h THR 46 N -1.00 0.76 0.00 3.15 1.35 -1.95 -3.47 112.91 111.74 1r39 h THR 46 Ca -0.13 -2.00 0.00 0.00 -0.55 0.00 0.00 66.41 63.72 1r39 h THR 46 Cb 0.85 2.33 0.00 0.00 -1.73 0.00 0.00 68.15 69.59 1r39 h THR 46 CO -0.08 0.42 0.00 0.61 -0.25 0.00 0.00 175.52 176.22 1r39 n GLY 47 N 1.12 0.83 3.97 5.82 0.00 0.18 -5.03 105.19 112.07 1r39 n GLY 47 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 1r39 n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r39 s LEU 48 N 0.00 3.38 -0.06 0.99 1.43 -1.22 -4.82 118.68 118.38 1r39 s LEU 48 Ca 0.00 0.08 -0.21 0.00 -1.03 0.00 0.00 54.13 52.97 1r39 s LEU 48 Cb 0.00 -2.96 -0.04 0.00 0.03 0.00 0.00 46.19 43.22 1r39 s LEU 48 CO 0.00 -1.02 0.59 -0.13 0.23 0.00 0.00 176.35 176.02 1r39 s ARG 49 N -4.71 4.36 0.27 1.70 1.81 -1.26 -1.43 118.95 119.69 1r39 s ARG 49 Ca 0.55 0.69 0.05 0.00 -1.72 0.00 0.00 55.73 55.30 1r39 s ARG 49 Cb -0.10 -3.40 -0.06 0.00 -0.45 0.00 0.00 34.95 30.94 1r39 s ARG 49 CO 0.38 0.22 -0.03 0.14 -0.68 0.00 0.00 175.30 175.33 1r39 s VAL 50 N 0.35 1.43 -0.18 3.52 -7.23 0.85 -2.33 120.40 116.81 1r39 s VAL 50 Ca 0.31 -2.08 -0.03 0.00 -1.81 0.00 0.00 61.98 58.37 1r39 s VAL 50 Cb -0.17 -2.47 -0.02 0.00 0.56 0.00 0.00 36.38 34.28 1r39 s VAL 50 CO 0.15 -0.27 -0.05 0.00 -0.31 0.00 0.00 175.10 174.63 1r39 s ALA 51 N -3.15 2.88 -0.26 1.32 0.00 0.76 -0.64 121.76 122.66 1r39 s ALA 51 Ca 0.30 -0.98 -0.01 0.00 0.00 0.00 0.00 51.96 51.27 1r39 s ALA 51 Cb 0.05 -1.58 0.04 0.00 0.00 0.00 0.00 23.12 21.62 1r39 s ALA 51 CO 0.11 -0.06 -0.06 0.08 0.00 0.00 0.00 175.76 175.84 1r39 s VAL 52 N 0.84 2.80 -0.19 0.00 1.01 0.27 -1.38 120.40 123.75 1r39 s VAL 52 Ca -0.01 -1.18 -0.06 0.00 0.00 0.00 0.00 61.98 60.72 1r39 s VAL 52 Cb -0.15 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 1r39 s VAL 52 CO 0.01 0.11 0.03 -0.75 0.00 0.00 0.00 175.10 174.50 1r39 s LYS 53 N 1.28 3.80 -0.34 2.72 2.20 -0.24 -1.08 119.74 128.09 1r39 s LYS 53 Ca -0.02 -0.43 -0.11 0.00 -0.36 0.00 0.00 55.97 55.04 1r39 s LYS 53 Cb -0.18 -3.14 -0.00 0.00 -1.51 0.00 0.00 37.83 33.00 1r39 s LYS 53 CO -0.04 0.16 0.20 0.21 -0.36 0.00 0.00 175.35 175.52 1r39 s LYS 54 N 0.65 3.30 0.10 4.03 2.20 -0.37 -1.62 119.74 128.01 1r39 s LYS 54 Ca 0.01 -0.77 -0.31 0.00 -0.36 0.00 0.00 55.97 54.55 1r39 s LYS 54 Cb -0.14 -3.71 -0.07 0.00 -1.51 0.00 0.00 37.83 32.40 1r39 s LYS 54 CO 0.02 -0.49 1.32 -0.51 -0.36 0.00 0.00 175.35 175.32 1r39 s LEU 55 N 1.65 4.37 -0.20 5.43 1.43 -0.46 -3.01 118.68 127.89 1r39 s LEU 55 Ca 0.05 2.21 -0.19 0.00 -1.03 0.00 0.00 54.13 55.17 1r39 s LEU 55 Cb -0.18 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.43 1r39 s LEU 55 CO 0.08 -0.58 0.56 -0.94 0.23 0.00 0.00 176.35 175.70 1r39 s SER 56 N 1.08 6.60 -1.19 2.29 1.04 -1.04 -4.42 113.70 118.07 1r39 s SER 56 Ca 0.62 0.73 -0.29 0.00 0.48 0.00 0.00 55.95 57.49 1r39 s SER 56 Cb -0.34 -2.31 0.02 0.00 0.10 0.00 0.00 66.02 63.49 1r39 s SER 56 CO 0.30 -0.22 0.72 0.54 0.98 0.00 0.00 173.24 175.56 1r39 n ARG 57 N 4.90 -0.63 0.31 4.02 1.74 -1.26 -4.82 116.66 120.92 1r39 n ARG 57 Ca -0.03 0.22 0.20 0.00 -0.77 0.00 0.00 57.85 57.47 1r39 n ARG 57 Cb 0.50 -3.15 1.02 0.00 -1.02 0.00 0.00 32.46 29.81 1r39 n ARG 57 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1r39 h PRO 58 N -2.36 0.00 0.00 5.56 0.13 -1.82 -2.91 132.00 130.60 1r39 h PRO 58 Ca -0.70 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.42 1r39 h PRO 58 Cb 1.39 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.49 1r39 h PRO 58 CO 0.51 0.00 -0.48 1.19 -0.23 0.00 0.00 178.00 178.98 1r39 n PHE 59 N -3.01 0.00 -0.24 1.56 3.72 -1.26 -2.15 117.46 116.08 1r39 n PHE 59 Ca -0.02 -1.33 0.05 0.00 -0.05 0.00 0.00 57.45 56.11 1r39 n PHE 59 Cb 0.13 -0.23 0.30 0.00 -0.94 0.00 0.00 39.48 38.75 1r39 n PHE 59 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1r39 h GLN 60 N 0.86 0.86 -4.11 -1.08 4.15 -1.88 -3.44 115.11 110.47 1r39 h GLN 60 Ca -0.02 -0.05 -0.20 0.00 0.77 0.00 0.00 58.65 59.15 1r39 h GLN 60 Cb 1.08 -0.19 -0.10 0.00 0.21 0.00 0.00 27.48 28.48 1r39 h GLN 60 CO 0.01 0.57 -0.29 -1.54 -1.93 0.00 0.00 178.83 175.65 1r39 s SER 61 N -6.11 0.39 0.17 -0.69 1.04 -1.26 -5.01 113.70 102.23 1r39 s SER 61 Ca -0.11 -1.27 -0.14 0.00 0.48 0.00 0.00 55.95 54.91 1r39 s SER 61 Cb 0.20 0.56 0.10 0.00 0.10 0.00 0.00 66.02 66.97 1r39 s SER 61 CO 0.79 -1.11 1.79 0.40 0.98 0.00 0.00 173.24 176.08 1r39 h ILE 62 N 2.29 1.00 -0.47 -1.02 2.04 -1.95 0.18 117.51 119.58 1r39 h ILE 62 Ca -0.29 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.39 1r39 h ILE 62 Cb 1.25 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 1r39 h ILE 62 CO 0.41 0.09 0.28 0.40 0.00 0.00 0.00 178.15 179.33 1r39 h ILE 63 N 0.50 1.15 0.04 -0.67 1.08 -1.98 -1.78 117.51 115.84 1r39 h ILE 63 Ca 0.20 -0.33 -0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1r39 h ILE 63 Cb 0.07 0.52 0.00 0.00 -3.07 0.00 0.00 36.82 34.34 1r39 h ILE 63 CO -0.12 0.15 -0.02 0.45 -0.69 0.00 0.00 178.15 177.92 1r39 h HIS 64 N 0.62 -0.04 -1.00 1.37 3.86 -1.75 -1.47 115.15 116.75 1r39 h HIS 64 Ca 0.17 -0.00 0.19 0.00 -1.16 0.00 0.00 60.37 59.56 1r39 h HIS 64 Cb -0.01 0.01 -0.10 0.00 1.06 0.00 0.00 27.41 28.38 1r39 h HIS 64 CO -0.03 0.28 0.61 0.00 0.86 0.00 0.00 177.93 179.66 1r39 h ALA 65 N 0.57 1.73 -0.22 2.45 0.00 -0.12 0.14 119.26 123.81 1r39 h ALA 65 Ca -0.00 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1r39 h ALA 65 Cb 0.35 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1r39 h ALA 65 CO 0.01 -0.09 -0.31 -0.22 0.00 0.00 0.00 179.25 178.64 1r39 h LYS 66 N 0.74 0.60 -0.87 0.00 3.64 -1.08 -2.22 116.57 117.38 1r39 h LYS 66 Ca 0.56 -0.35 0.02 0.00 -1.27 0.00 0.00 60.65 59.61 1r39 h LYS 66 Cb 0.91 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.71 1r39 h LYS 66 CO -0.35 0.96 0.57 -0.09 -2.27 0.00 0.00 179.45 178.27 1r39 h ARG 67 N 0.29 1.11 -0.34 1.90 9.65 -0.11 0.23 114.38 127.11 1r39 h ARG 67 Ca 0.02 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1r39 h ARG 67 Cb 0.89 -0.25 -0.02 0.00 -1.39 0.00 0.00 29.97 29.20 1r39 h ARG 67 CO 0.07 0.73 0.22 1.15 2.80 0.00 0.00 179.97 184.95 1r39 h THR 68 N 1.14 1.09 -0.15 0.20 2.02 -0.71 -0.57 112.91 115.94 1r39 h THR 68 Ca 0.33 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 1r39 h THR 68 Cb -0.07 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 1r39 h THR 68 CO -0.09 0.09 0.07 0.22 0.37 0.00 0.00 175.52 176.18 1r39 h TYR 69 N 0.45 0.21 -0.53 3.16 3.20 -0.73 -2.41 116.97 120.32 1r39 h TYR 69 Ca 0.12 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.03 1r39 h TYR 69 Cb -0.04 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.11 1r39 h TYR 69 CO -0.05 0.25 0.26 -0.09 -1.64 0.00 0.00 178.16 176.89 1r39 h ARG 70 N 0.11 0.49 -0.49 1.82 2.43 -0.32 0.01 114.38 118.43 1r39 h ARG 70 Ca 0.05 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.10 1r39 h ARG 70 Cb 0.12 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 1r39 h ARG 70 CO -0.01 0.33 -0.04 1.49 -1.51 0.00 0.00 179.97 180.23 1r39 h GLU 71 N 0.51 0.90 -0.64 0.20 4.81 -1.05 -0.79 114.58 118.51 1r39 h GLU 71 Ca 0.24 -0.30 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1r39 h GLU 71 Cb 0.16 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 1r39 h GLU 71 CO -0.17 0.95 0.33 1.25 -0.73 0.00 0.00 179.01 180.63 1r39 h LEU 72 N 0.75 0.81 -0.33 1.64 5.85 -1.09 0.48 115.31 123.44 1r39 h LEU 72 Ca 0.14 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1r39 h LEU 72 Cb 0.57 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1r39 h LEU 72 CO 0.03 0.70 0.18 0.03 -0.34 0.00 0.00 178.44 179.04 1r39 h ARG 73 N 0.87 0.45 -0.70 1.25 2.47 -0.72 -1.00 114.38 117.00 1r39 h ARG 73 Ca 0.22 -0.05 -0.07 0.00 -1.26 0.00 0.00 59.98 58.82 1r39 h ARG 73 Cb 0.08 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.28 1r39 h ARG 73 CO -0.03 0.37 0.16 -0.07 0.56 0.00 0.00 179.97 180.95 1r39 h LEU 74 N 0.41 1.07 -0.42 3.04 3.38 -0.90 -2.44 115.31 119.45 1r39 h LEU 74 Ca 0.12 -0.24 -0.15 0.00 0.09 0.00 0.00 57.88 57.69 1r39 h LEU 74 Cb 0.04 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1r39 h LEU 74 CO -0.02 1.04 -0.34 -0.07 0.09 0.00 0.00 178.44 179.14 1r39 h LEU 75 N 1.06 1.01 -1.39 1.67 3.38 -0.69 -2.91 115.31 117.45 1r39 h LEU 75 Ca 0.22 -0.44 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 1r39 h LEU 75 Cb 0.39 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1r39 h LEU 75 CO 0.00 1.24 -0.22 0.11 0.09 0.00 0.00 178.44 179.67 1r39 h LYS 76 N 0.80 0.13 -0.15 1.13 1.57 -1.08 -3.14 116.57 115.83 1r39 h LYS 76 Ca 0.08 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.74 1r39 h LYS 76 Cb 0.93 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.22 1r39 h LYS 76 CO 0.09 0.35 -0.24 1.25 -0.57 0.00 0.00 179.45 180.33 1r39 h HIS 77 N 0.12 0.54 -2.21 -1.35 2.76 -1.31 -3.45 115.15 110.24 1r39 h HIS 77 Ca 0.02 -0.18 -0.58 0.00 -2.20 0.00 0.00 60.37 57.43 1r39 h HIS 77 Cb 0.46 -0.10 -0.00 0.00 1.55 0.00 0.00 27.41 29.31 1r39 h HIS 77 CO 0.00 0.87 1.39 -1.64 -1.30 0.00 0.00 177.93 177.25 1r39 s MET 78 N -4.11 3.39 -0.44 5.26 -1.94 -1.11 -4.93 119.30 115.43 1r39 s MET 78 Ca -0.14 2.03 0.03 0.00 -1.71 0.00 0.00 55.69 55.90 1r39 s MET 78 Cb 0.06 -4.28 0.15 0.00 2.01 0.00 0.00 34.83 32.77 1r39 s MET 78 CO 0.78 -1.80 0.30 0.15 -0.01 0.00 0.00 175.02 174.44 1r39 s LYS 79 N 5.78 1.08 -0.23 2.03 1.02 -1.26 -4.30 119.74 123.86 1r39 s LYS 79 Ca 0.93 -2.04 -0.21 0.00 0.02 0.00 0.00 55.97 54.67 1r39 s LYS 79 Cb -0.33 -1.82 0.06 0.00 -0.52 0.00 0.00 37.83 35.22 1r39 s LYS 79 CO 0.36 -1.28 0.61 -1.58 -0.92 0.00 0.00 175.35 172.53 1r39 s HIS 80 N 0.20 -0.67 0.41 3.18 2.46 -1.26 -5.05 115.29 114.56 1r39 s HIS 80 Ca 0.25 1.64 0.17 0.00 0.47 0.00 0.00 55.06 57.59 1r39 s HIS 80 Cb -0.10 0.23 1.07 0.00 -0.13 0.00 0.00 32.58 33.66 1r39 s HIS 80 CO -0.10 -0.32 1.85 0.93 -2.47 0.00 0.00 174.74 174.62 1r39 h GLU 81 N 5.20 0.41 -0.63 2.88 5.08 -1.98 -1.78 114.58 123.76 1r39 h GLU 81 Ca -0.28 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1r39 h GLU 81 Cb 1.17 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1r39 h GLU 81 CO 0.12 0.27 0.00 0.09 -1.00 0.00 0.00 179.01 178.49 1r39 n ASN 82 N -4.53 5.11 -3.81 1.42 4.13 -1.26 -4.72 115.26 111.61 1r39 n ASN 82 Ca 0.20 -2.76 -0.18 0.00 1.68 0.00 0.00 54.58 53.52 1r39 n ASN 82 Cb 0.71 -0.65 -0.16 0.00 -1.54 0.00 0.00 39.78 38.13 1r39 n ASN 82 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1r39 s VAL 83 N -2.45 0.21 -0.22 2.41 1.01 -0.67 -0.59 120.40 120.09 1r39 s VAL 83 Ca 0.49 0.09 -0.34 0.00 0.00 0.00 0.00 61.98 62.22 1r39 s VAL 83 Cb 0.36 -0.31 -0.11 0.00 0.00 0.00 0.00 36.38 36.32 1r39 s VAL 83 CO 0.16 0.16 2.05 0.00 0.00 0.00 0.00 175.10 177.47 1r39 n ILE 84 N 4.28 0.38 -3.36 2.22 3.06 -0.62 -4.43 119.36 120.88 1r39 n ILE 84 Ca -0.23 -0.22 -0.19 0.00 -2.50 0.00 0.00 62.75 59.60 1r39 n ILE 84 Cb 0.50 -1.87 -0.01 0.00 0.54 0.00 0.00 39.64 38.80 1r39 n ILE 84 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 1r39 s GLY 85 N 6.00 1.95 -0.24 4.50 0.00 -1.26 -4.86 107.32 113.41 1r39 s GLY 85 Ca 1.01 -1.72 -0.20 0.00 0.00 0.00 0.00 44.72 43.81 1r39 s GLY 85 CO 0.49 -1.56 0.60 -2.27 0.00 0.00 0.00 173.10 170.36 1r39 s LEU 86 N -4.21 4.07 0.06 0.66 2.96 -1.19 -4.44 118.68 116.59 1r39 s LEU 86 Ca 0.50 0.69 0.10 0.00 -0.22 0.00 0.00 54.13 55.20 1r39 s LEU 86 Cb -0.07 -2.82 -0.19 0.00 0.50 0.00 0.00 46.19 43.61 1r39 s LEU 86 CO 0.30 -0.33 1.01 -0.07 -1.32 0.00 0.00 176.35 175.94 1r39 h LEU 87 N 8.75 0.00 -7.00 -0.68 3.38 -1.00 -3.46 115.31 115.30 1r39 h LEU 87 Ca -0.28 0.00 0.18 0.00 0.09 0.00 0.00 57.88 57.87 1r39 h LEU 87 Cb 1.13 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.68 1r39 h LEU 87 CO 0.76 0.94 0.69 -0.62 0.09 0.00 0.00 178.44 180.30 1r39 s ASP 88 N -6.38 -0.23 -0.09 -0.43 2.15 -1.10 -4.77 116.67 105.82 1r39 s ASP 88 Ca -0.01 0.10 -0.07 0.00 0.43 0.00 0.00 52.55 53.00 1r39 s ASP 88 Cb 0.09 0.23 0.03 0.00 -0.30 0.00 0.00 42.92 42.96 1r39 s ASP 88 CO 0.82 -0.33 0.23 0.54 -0.17 0.00 0.00 175.17 176.26 1r39 s VAL 89 N -2.10 -0.01 0.25 1.11 0.11 -1.26 -0.34 120.40 118.16 1r39 s VAL 89 Ca 0.06 0.04 -0.18 0.00 -2.93 0.00 0.00 61.98 58.97 1r39 s VAL 89 Cb -0.01 -0.33 0.02 0.00 -1.53 0.00 0.00 36.38 34.53 1r39 s VAL 89 CO -0.05 0.02 0.59 0.72 -3.33 0.00 0.00 175.10 173.05 1r39 s PHE 90 N 0.40 -0.01 -0.09 1.54 -0.12 -0.64 -4.91 117.98 114.16 1r39 s PHE 90 Ca -0.02 -0.39 -0.10 0.00 -0.05 0.00 0.00 56.93 56.37 1r39 s PHE 90 Cb -0.04 0.46 0.03 0.00 -0.63 0.00 0.00 43.02 42.84 1r39 s PHE 90 CO -0.02 -1.07 0.27 -0.08 -0.05 0.00 0.00 175.22 174.27 1r39 s THR 91 N -3.94 0.01 -0.14 -4.49 -1.32 -1.26 -1.06 115.64 103.44 1r39 s THR 91 Ca 0.14 -0.09 0.30 0.00 -1.21 0.00 0.00 61.69 60.83 1r39 s THR 91 Cb -0.03 -0.42 0.35 0.00 -1.51 0.00 0.00 72.50 70.89 1r39 s THR 91 CO 0.05 -0.05 1.87 1.55 -2.21 0.00 0.00 174.62 175.83 1r39 h PRO 92 N 5.44 0.00 -6.73 7.08 0.13 -1.82 -3.45 132.00 132.64 1r39 h PRO 92 Ca -0.27 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.29 1r39 h PRO 92 Cb 1.19 0.00 0.12 0.00 0.13 0.00 0.00 31.00 32.44 1r39 h PRO 92 CO 0.34 0.00 0.36 0.00 -0.23 0.00 0.00 178.00 178.47 1r39 n ALA 93 N -2.00 0.81 1.02 -0.56 0.00 -1.26 -4.92 120.51 113.60 1r39 n ALA 93 Ca 0.02 0.28 0.11 0.00 0.00 0.00 0.00 53.44 53.84 1r39 n ALA 93 Cb 0.32 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.59 1r39 n ALA 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1r39 n ARG 94 N 0.19 0.77 -3.90 0.00 1.74 -1.26 -4.92 116.66 109.28 1r39 n ARG 94 Ca 0.07 -0.62 -0.09 0.00 -0.77 0.00 0.00 57.85 56.45 1r39 n ARG 94 Cb 0.38 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.30 1r39 n ARG 94 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1r39 s SER 95 N -2.66 -0.18 0.47 0.55 1.04 -1.26 -5.03 113.70 106.63 1r39 s SER 95 Ca 0.16 -0.73 0.19 0.00 0.48 0.00 0.00 55.95 56.05 1r39 s SER 95 Cb 0.18 0.63 1.17 0.00 0.10 0.00 0.00 66.02 68.09 1r39 s SER 95 CO 0.66 -1.19 2.02 0.25 0.98 0.00 0.00 173.24 175.96 1r39 h LEU 96 N 2.16 0.00 -0.77 2.42 5.85 -1.95 -0.38 115.31 122.65 1r39 h LEU 96 Ca -0.24 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.39 1r39 h LEU 96 Cb 1.25 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 1r39 h LEU 96 CO 0.32 0.17 -0.05 -0.33 -0.34 0.00 0.00 178.44 178.21 1r39 h GLU 97 N 0.00 0.89 0.00 1.25 3.07 -2.01 -2.89 114.58 114.89 1r39 h GLU 97 Ca -0.00 -0.28 0.00 0.00 -0.50 0.00 0.00 59.36 58.58 1r39 h GLU 97 Cb 0.34 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 1r39 h GLU 97 CO 0.02 0.91 -0.58 0.93 -1.40 0.00 0.00 179.01 178.89 1r39 h GLU 98 N 0.81 0.00 -6.32 2.33 5.08 -1.79 -3.47 114.58 111.23 1r39 h GLU 98 Ca 0.14 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.89 1r39 h GLU 98 Cb 0.55 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.82 1r39 h GLU 98 CO 0.03 0.00 1.01 0.34 -1.00 0.00 0.00 179.01 179.39 1r39 n PHE 99 N -2.67 2.29 0.00 4.33 7.35 -0.22 -4.74 117.46 123.81 1r39 n PHE 99 Ca 0.02 0.09 0.00 0.00 -0.76 0.00 0.00 57.45 56.80 1r39 n PHE 99 Cb 0.52 -2.62 0.00 0.00 0.35 0.00 0.00 39.48 37.72 1r39 n PHE 99 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1r39 n ASN 100 N 5.81 0.00 -4.87 -2.13 3.02 -1.26 -5.01 115.26 110.82 1r39 n ASN 100 Ca 0.22 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.41 1r39 n ASN 100 Cb 0.28 0.18 -0.06 0.00 -0.61 0.00 0.00 39.78 39.57 1r39 n ASN 100 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1r39 s ASP 101 N -3.57 6.32 -0.04 6.41 1.01 -1.26 -4.65 116.67 120.89 1r39 s ASP 101 Ca 0.00 0.42 0.06 0.00 0.71 0.00 0.00 52.55 53.74 1r39 s ASP 101 Cb 0.00 -2.02 -0.01 0.00 1.01 0.00 0.00 42.92 41.90 1r39 s ASP 101 CO 0.00 0.37 -0.21 -0.69 0.21 0.00 0.00 175.17 174.85 1r39 s VAL 102 N -1.09 1.71 -0.06 -1.27 1.01 -1.26 -4.50 120.40 114.94 1r39 s VAL 102 Ca 0.18 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.31 1r39 s VAL 102 Cb -0.12 -1.44 -0.00 0.00 0.00 0.00 0.00 36.38 34.81 1r39 s VAL 102 CO 0.07 0.48 -0.19 -0.31 0.00 0.00 0.00 175.10 175.16 1r39 s TYR 103 N -0.20 1.96 -0.04 5.22 1.51 -0.23 -1.36 117.35 124.21 1r39 s TYR 103 Ca 0.00 -0.64 0.04 0.00 -1.01 0.00 0.00 57.07 55.47 1r39 s TYR 103 Cb -0.11 -1.32 -0.03 0.00 -0.11 0.00 0.00 41.96 40.39 1r39 s TYR 103 CO 0.02 -0.23 -0.16 -0.51 -1.11 0.00 0.00 175.55 173.55 1r39 s LEU 104 N 0.14 2.64 -0.17 -1.29 1.43 -0.64 -1.62 118.68 119.16 1r39 s LEU 104 Ca -0.08 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 52.79 1r39 s LEU 104 Cb -0.14 -1.53 0.02 0.00 0.03 0.00 0.00 46.19 44.58 1r39 s LEU 104 CO 0.04 0.34 -0.19 -0.69 0.23 0.00 0.00 176.35 176.08 1r39 s VAL 105 N -0.73 1.96 0.21 -1.59 1.01 0.54 -1.08 120.40 120.74 1r39 s VAL 105 Ca 0.11 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.27 1r39 s VAL 105 Cb -0.11 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.44 1r39 s VAL 105 CO 0.01 0.52 -0.10 0.42 0.00 0.00 0.00 175.10 175.94 1r39 s THR 106 N 1.33 1.50 0.44 3.92 -4.23 -0.48 -0.27 115.64 117.85 1r39 s THR 106 Ca 0.05 -2.14 -0.23 0.00 -1.18 0.00 0.00 61.69 58.19 1r39 s THR 106 Cb -0.13 -2.13 -0.08 0.00 1.34 0.00 0.00 72.50 71.50 1r39 s THR 106 CO -0.12 -0.53 1.11 -2.28 -0.54 0.00 0.00 174.62 172.26 1r39 s HIS 107 N -3.12 3.02 -0.42 3.99 5.65 -1.26 -0.17 115.29 122.98 1r39 s HIS 107 Ca 0.23 1.58 -0.12 0.00 0.25 0.00 0.00 55.06 57.00 1r39 s HIS 107 Cb 0.02 -3.26 0.06 0.00 -1.18 0.00 0.00 32.58 28.21 1r39 s HIS 107 CO 0.07 -1.14 0.29 -1.17 -0.65 0.00 0.00 174.74 172.13 1r39 s LEU 108 N -2.94 5.17 0.16 8.88 2.96 -0.99 -4.59 118.68 127.34 1r39 s LEU 108 Ca 0.62 -1.29 -0.05 0.00 -0.22 0.00 0.00 54.13 53.20 1r39 s LEU 108 Cb -0.25 -2.06 -0.00 0.00 0.50 0.00 0.00 46.19 44.37 1r39 s LEU 108 CO 0.31 -0.52 1.40 0.24 -1.32 0.00 0.00 176.35 176.45 1r39 h MET 109 N 8.53 0.52 0.00 1.98 2.86 -1.91 -3.46 114.93 123.45 1r39 h MET 109 Ca -0.25 -0.42 0.00 0.00 -2.06 0.00 0.00 59.70 56.96 1r39 h MET 109 Cb 1.10 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.85 1r39 h MET 109 CO 0.77 1.05 0.00 0.41 1.06 0.00 0.00 176.91 180.20 1r39 n GLY 110 N 0.59 2.33 3.13 8.32 0.00 -1.26 -4.46 105.19 113.85 1r39 n GLY 110 Ca -0.05 -0.66 -0.11 0.00 0.00 0.00 0.00 46.02 45.21 1r39 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r39 s ALA 111 N 0.00 -0.29 0.83 4.61 0.00 -1.21 -5.03 121.76 120.67 1r39 s ALA 111 Ca 0.00 -0.26 -0.11 0.00 0.00 0.00 0.00 51.96 51.59 1r39 s ALA 111 Cb 0.00 0.19 0.13 0.00 0.00 0.00 0.00 23.12 23.44 1r39 s ALA 111 CO 0.00 -0.28 1.17 0.16 0.00 0.00 0.00 175.76 176.81 1r39 s ASP 112 N -1.75 4.01 0.43 0.00 1.47 -1.26 -0.23 116.67 119.34 1r39 s ASP 112 Ca -0.10 0.35 0.11 0.00 1.18 0.00 0.00 52.55 54.09 1r39 s ASP 112 Cb -0.04 -0.69 0.98 0.00 -0.34 0.00 0.00 42.92 42.84 1r39 s ASP 112 CO -0.01 -2.15 2.03 0.25 0.68 0.00 0.00 175.17 175.96 1r39 h LEU 113 N -1.11 0.38 -0.67 2.11 5.85 0.20 -2.00 115.31 120.07 1r39 h LEU 113 Ca -0.44 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 1r39 h LEU 113 Cb 1.28 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.20 1r39 h LEU 113 CO 0.50 0.25 0.41 0.78 -0.34 0.00 0.00 178.44 180.04 1r39 h ASN 114 N 0.43 0.80 0.79 1.25 2.35 -1.86 -2.30 115.58 117.05 1r39 h ASN 114 Ca 0.20 -0.06 -0.06 0.00 -0.55 0.00 0.00 56.30 55.84 1r39 h ASN 114 Cb 0.26 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1r39 h ASN 114 CO -0.05 0.62 -0.29 0.78 -1.65 0.00 0.00 177.43 176.84 1r39 h ASN 115 N 0.91 0.00 -0.12 5.81 -0.26 -1.74 -2.93 115.58 117.26 1r39 h ASN 115 Ca 0.24 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.96 1r39 h ASN 115 Cb -0.04 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.22 1r39 h ASN 115 CO -0.05 0.29 -0.02 0.40 -1.06 0.00 0.00 177.43 176.99 1r39 h ILE 116 N 0.00 1.28 0.00 2.81 5.03 -1.03 -3.15 117.51 122.46 1r39 h ILE 116 Ca -0.00 -0.94 0.00 0.00 -0.12 0.00 0.00 64.86 63.80 1r39 h ILE 116 Cb 0.76 1.67 0.00 0.00 -3.03 0.00 0.00 36.82 36.23 1r39 h ILE 116 CO 0.04 0.27 0.00 0.58 -0.68 0.00 0.00 178.15 178.36 1r39 h VAL 117 N -0.09 0.00 0.06 1.67 2.07 -1.41 -2.89 116.25 115.66 1r39 h VAL 117 Ca 0.03 -0.40 -0.24 0.00 0.82 0.00 0.00 66.70 66.91 1r39 h VAL 117 Cb 0.43 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1r39 h VAL 117 CO 0.01 0.00 -1.07 0.50 0.02 0.00 0.00 177.57 177.03 1r39 h LYS 118 N 0.00 0.27 0.00 1.57 3.64 -1.49 -3.34 116.57 117.22 1r39 h LYS 118 Ca 0.00 -0.37 -0.06 0.00 -1.27 0.00 0.00 60.65 58.95 1r39 h LYS 118 Cb 0.43 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1r39 h LYS 118 CO 0.00 1.12 -0.68 0.00 -2.27 0.00 0.00 179.45 177.62 1r39 s GLN 120 N -3.12 2.02 -0.27 0.00 0.00 -1.16 -5.14 119.66 111.99 1r39 s GLN 120 Ca 0.02 -1.41 -0.08 0.00 -0.00 0.00 0.00 55.36 53.90 1r39 s GLN 120 Cb 0.08 0.57 -0.01 0.00 0.00 0.00 0.00 33.01 33.64 1r39 s GLN 120 CO 0.75 -0.92 0.09 0.21 0.00 0.00 0.00 175.29 175.42 1r39 s LYS 121 N -2.92 3.42 0.02 9.60 2.20 -1.26 -4.58 119.74 126.23 1r39 s LYS 121 Ca 0.18 -0.64 -0.30 0.00 -0.36 0.00 0.00 55.97 54.85 1r39 s LYS 121 Cb -0.04 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.86 1r39 s LYS 121 CO 0.12 -0.31 1.11 -0.51 -0.36 0.00 0.00 175.35 175.41 1r39 s LEU 122 N 1.58 4.36 0.85 5.43 1.43 -1.26 -5.06 118.68 126.01 1r39 s LEU 122 Ca 0.05 1.85 -0.12 0.00 -1.03 0.00 0.00 54.13 54.88 1r39 s LEU 122 Cb -0.16 -3.57 0.10 0.00 0.03 0.00 0.00 46.19 42.59 1r39 s LEU 122 CO 0.04 -0.40 1.15 0.42 0.23 0.00 0.00 176.35 177.78 1r39 s THR 123 N 1.19 2.19 0.35 5.49 -4.23 -1.26 -4.87 115.64 114.50 1r39 s THR 123 Ca 0.56 0.06 0.05 0.00 -1.18 0.00 0.00 61.69 61.17 1r39 s THR 123 Cb -0.25 -2.91 0.19 0.00 1.34 0.00 0.00 72.50 70.86 1r39 s THR 123 CO 0.28 -0.08 1.92 -0.78 -0.54 0.00 0.00 174.62 175.42 1r39 h ASP 124 N -1.25 0.52 -0.09 3.99 3.58 -1.97 -1.37 116.42 119.82 1r39 h ASP 124 Ca -0.48 -0.07 -0.06 0.00 0.42 0.00 0.00 57.03 56.83 1r39 h ASP 124 Cb 1.32 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 42.22 1r39 h ASP 124 CO 0.63 0.52 -0.12 0.44 -2.88 0.00 0.00 179.24 177.84 1r39 h ASP 125 N 0.55 0.40 -0.36 2.28 3.45 -2.00 0.55 116.42 121.30 1r39 h ASP 125 Ca 0.13 -0.09 -0.15 0.00 0.43 0.00 0.00 57.03 57.35 1r39 h ASP 125 Cb 0.21 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 38.87 1r39 h ASP 125 CO -0.00 0.55 -0.34 0.45 -1.57 0.00 0.00 179.24 178.32 1r39 h HIS 126 N 0.39 1.04 -0.33 4.55 3.86 -1.64 -2.79 115.15 120.23 1r39 h HIS 126 Ca 0.08 -0.31 -0.13 0.00 -1.16 0.00 0.00 60.37 58.85 1r39 h HIS 126 Cb 0.45 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 1r39 h HIS 126 CO 0.01 1.11 -0.32 0.28 0.86 0.00 0.00 177.93 179.88 1r39 h VAL 127 N 0.66 1.28 -0.12 2.45 2.07 -0.60 -1.12 116.25 120.87 1r39 h VAL 127 Ca 0.06 -1.46 -0.01 0.00 0.82 0.00 0.00 66.70 66.11 1r39 h VAL 127 Cb 0.93 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1r39 h VAL 127 CO 0.09 0.48 0.05 1.56 0.02 0.00 0.00 177.57 179.76 1r39 h GLN 128 N 0.61 0.19 -0.80 1.57 4.20 -0.93 -1.35 115.11 118.60 1r39 h GLN 128 Ca 0.07 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 1r39 h GLN 128 Cb 0.84 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.55 1r39 h GLN 128 CO 0.07 0.30 0.46 0.35 -0.67 0.00 0.00 178.83 179.34 1r39 h PHE 129 N 0.04 1.07 -0.34 2.96 3.57 -1.44 0.22 116.94 123.03 1r39 h PHE 129 Ca 0.04 -0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.35 1r39 h PHE 129 Cb 0.18 -0.35 -0.00 0.00 2.79 0.00 0.00 35.95 38.57 1r39 h PHE 129 CO -0.01 0.74 -0.47 -0.07 -2.23 0.00 0.00 178.31 176.26 1r39 h LEU 130 N 1.10 0.99 -0.30 0.59 3.38 -1.11 -2.15 115.31 117.81 1r39 h LEU 130 Ca 0.28 -0.50 -0.20 0.00 0.09 0.00 0.00 57.88 57.55 1r39 h LEU 130 Cb -0.00 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.47 1r39 h LEU 130 CO -0.05 1.30 -0.77 0.40 0.09 0.00 0.00 178.44 179.41 1r39 h ILE 131 N 0.72 1.35 -0.24 1.22 1.08 -1.10 -2.48 117.51 118.05 1r39 h ILE 131 Ca 0.04 -2.12 0.06 0.00 -0.39 0.00 0.00 64.86 62.45 1r39 h ILE 131 Cb 1.08 2.10 -0.06 0.00 -3.07 0.00 0.00 36.82 36.87 1r39 h ILE 131 CO 0.11 0.65 -0.12 0.22 -0.69 0.00 0.00 178.15 178.31 1r39 h TYR 132 N 0.36 -0.30 -0.66 1.37 3.20 -0.50 0.05 116.97 120.49 1r39 h TYR 132 Ca -0.04 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.81 1r39 h TYR 132 Cb 1.37 0.17 -0.03 0.00 1.54 0.00 0.00 36.73 39.78 1r39 h TYR 132 CO 0.06 -0.19 0.25 1.96 -1.64 0.00 0.00 178.16 178.60 1r39 h GLN 133 N -0.10 0.98 0.21 1.82 4.20 -1.33 0.12 115.11 121.02 1r39 h GLN 133 Ca 0.13 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1r39 h GLN 133 Cb 0.29 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1r39 h GLN 133 CO -0.30 0.81 -0.10 0.82 -0.67 0.00 0.00 178.83 179.39 1r39 h ILE 134 N 0.96 0.82 -0.96 2.54 2.04 -0.90 -0.72 117.51 121.29 1r39 h ILE 134 Ca 0.22 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 65.95 1r39 h ILE 134 Cb 0.21 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 37.15 1r39 h ILE 134 CO -0.02 0.03 0.63 -0.07 0.00 0.00 0.00 178.15 178.73 1r39 h LEU 135 N -0.36 1.09 -0.41 1.44 3.38 -0.74 0.38 115.31 120.10 1r39 h LEU 135 Ca -0.03 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1r39 h LEU 135 Cb 0.28 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1r39 h LEU 135 CO 0.05 0.78 0.25 -0.09 0.09 0.00 0.00 178.44 179.52 1r39 h ARG 136 N 1.28 0.50 -0.02 1.13 2.43 -0.48 -0.61 114.38 118.61 1r39 h ARG 136 Ca 0.35 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.38 1r39 h ARG 136 Cb -0.13 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.30 1r39 h ARG 136 CO -0.08 0.33 -0.51 0.78 -1.51 0.00 0.00 179.97 178.98 1r39 h GLY 137 N 0.51 0.06 1.55 2.80 0.00 -0.59 -3.00 103.07 104.40 1r39 h GLY 137 Ca 0.16 -0.06 -0.15 0.00 0.00 0.00 0.00 47.33 47.27 1r39 h GLY 137 CO -0.06 0.06 -0.54 1.41 0.00 0.00 0.00 176.54 177.41 1r39 h LEU 138 N 0.04 0.52 -0.41 3.11 3.38 -0.39 -1.02 115.31 120.55 1r39 h LEU 138 Ca -0.00 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 1r39 h LEU 138 Cb 0.92 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1r39 h LEU 138 CO 0.07 0.96 0.22 0.50 0.09 0.00 0.00 178.44 180.28 1r39 h LYS 139 N 0.36 0.57 0.66 1.13 3.64 -1.04 0.98 116.57 122.88 1r39 h LYS 139 Ca 0.01 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 1r39 h LYS 139 Cb 1.06 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.77 1r39 h LYS 139 CO 0.10 0.46 -0.38 -0.92 -2.27 0.00 0.00 179.45 176.43 1r39 h TYR 140 N 0.52 -1.01 -0.55 1.91 3.20 -1.39 0.20 116.97 119.86 1r39 h TYR 140 Ca 0.14 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.11 1r39 h TYR 140 Cb 0.05 0.35 -0.09 0.00 1.54 0.00 0.00 36.73 38.59 1r39 h TYR 140 CO -0.02 -0.59 0.00 0.82 -1.64 0.00 0.00 178.16 176.73 1r39 h ILE 141 N -0.98 0.56 -0.06 1.81 2.04 -0.95 -1.94 117.51 117.99 1r39 h ILE 141 Ca -0.08 -0.04 -0.10 0.00 1.00 0.00 0.00 64.86 65.63 1r39 h ILE 141 Cb 0.78 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1r39 h ILE 141 CO 0.10 0.02 -0.44 0.45 0.00 0.00 0.00 178.15 178.29 1r39 h HIS 142 N 0.12 0.17 0.00 1.37 3.86 -0.74 -2.23 115.15 117.69 1r39 h HIS 142 Ca 0.28 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.43 1r39 h HIS 142 Cb 0.43 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 28.86 1r39 h HIS 142 CO -0.33 0.56 -0.07 0.66 0.86 0.00 0.00 177.93 179.61 1r39 h SER 143 N 0.12 0.00 -0.33 2.45 4.64 -0.14 0.44 113.55 120.74 1r39 h SER 143 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1r39 h SER 143 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1r39 h SER 143 CO 0.06 0.07 0.00 0.00 -0.87 0.00 0.00 176.83 176.09 1r39 n ALA 144 N -2.42 2.46 -2.42 5.18 0.00 -0.89 -4.76 120.51 117.66 1r39 n ALA 144 Ca -0.03 -0.61 -0.18 0.00 0.00 0.00 0.00 53.44 52.62 1r39 n ALA 144 Cb 0.15 -0.99 -0.00 0.00 0.00 0.00 0.00 19.45 18.61 1r39 n ALA 144 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1r39 n ASP 145 N 0.52 -5.18 -4.53 0.00 8.00 0.15 -3.62 116.55 111.88 1r39 n ASP 145 Ca 0.13 -0.05 -0.34 0.00 0.71 0.00 0.00 54.79 55.24 1r39 n ASP 145 Cb 0.31 -4.22 -0.12 0.00 -0.02 0.00 0.00 41.12 37.07 1r39 n ASP 145 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1r39 s ILE 146 N -2.91 4.02 -0.15 0.53 1.01 -0.89 -5.02 121.20 117.79 1r39 s ILE 146 Ca 0.04 -0.32 -0.06 0.00 0.00 0.00 0.00 60.65 60.31 1r39 s ILE 146 Cb -0.02 -2.76 -0.04 0.00 0.01 0.00 0.00 42.46 39.66 1r39 s ILE 146 CO 0.05 0.50 0.05 -0.63 0.00 0.00 0.00 174.94 174.91 1r39 s ILE 147 N 0.21 4.71 0.00 2.92 1.01 -1.26 -3.72 121.20 125.07 1r39 s ILE 147 Ca -0.01 -0.07 -0.24 0.00 0.00 0.00 0.00 60.65 60.32 1r39 s ILE 147 Cb -0.14 -3.08 -0.18 0.00 0.01 0.00 0.00 42.46 39.07 1r39 s ILE 147 CO 0.03 0.52 1.31 -0.74 0.00 0.00 0.00 174.94 176.06 1r39 h HIS 148 N 6.07 0.12 0.00 3.97 -0.00 -1.93 -3.43 115.15 119.94 1r39 h HIS 148 Ca -0.42 -0.03 0.00 0.00 -0.00 0.00 0.00 60.37 59.91 1r39 h HIS 148 Cb 1.18 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 28.57 1r39 h HIS 148 CO 0.60 0.53 0.00 0.54 -0.00 0.00 0.00 177.93 179.61 1r39 n ARG 149 N -4.79 0.00 -2.68 5.26 1.74 -1.26 0.13 116.66 115.06 1r39 n ARG 149 Ca -0.08 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.92 1r39 n ARG 149 Cb 0.27 -0.39 0.05 0.00 -1.02 0.00 0.00 32.46 31.36 1r39 n ARG 149 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1r39 n ASP 150 N 0.48 0.67 -4.74 0.55 2.03 -1.26 -4.91 116.55 109.37 1r39 n ASP 150 Ca 0.00 -2.61 -0.42 0.00 0.52 0.00 0.00 54.79 52.28 1r39 n ASP 150 Cb 0.00 -0.17 -0.03 0.00 -0.72 0.00 0.00 41.12 40.21 1r39 n ASP 150 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1r39 s LEU 151 N -3.19 4.38 0.17 -2.67 2.96 -1.26 -4.85 118.68 114.22 1r39 s LEU 151 Ca 0.26 2.62 -0.22 0.00 -0.22 0.00 0.00 54.13 56.56 1r39 s LEU 151 Cb 0.44 -3.61 0.06 0.00 0.50 0.00 0.00 46.19 43.58 1r39 s LEU 151 CO 0.00 -0.72 0.61 -0.54 -1.32 0.00 0.00 176.35 174.38 1r39 s LYS 152 N 0.07 1.33 0.51 1.98 1.02 -1.26 -4.81 119.74 118.59 1r39 s LYS 152 Ca 0.62 -0.54 0.24 0.00 0.02 0.00 0.00 55.97 56.31 1r39 s LYS 152 Cb -0.42 0.59 1.34 0.00 -0.52 0.00 0.00 37.83 38.82 1r39 s LYS 152 CO 0.39 -0.58 1.98 -1.35 -0.92 0.00 0.00 175.35 174.87 1r39 h PRO 153 N 2.01 0.07 0.00 -1.68 0.11 -1.94 0.98 132.00 131.55 1r39 h PRO 153 Ca -0.32 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1r39 h PRO 153 Cb 1.30 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1r39 h PRO 153 CO 0.37 0.04 0.00 -1.13 -0.21 0.00 0.00 178.00 177.07 1r39 n SER 154 N -4.39 0.73 -1.63 -2.05 3.41 -1.26 -1.88 113.62 106.55 1r39 n SER 154 Ca 0.11 0.61 0.09 0.00 -0.26 0.00 0.00 58.87 59.42 1r39 n SER 154 Cb 0.60 -0.79 0.36 0.00 -0.26 0.00 0.00 64.21 64.12 1r39 n SER 154 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1r39 n ASN 155 N -2.23 4.85 -3.96 4.04 3.02 0.34 -4.81 115.26 116.51 1r39 n ASN 155 Ca 0.04 -2.49 -0.31 0.00 -0.03 0.00 0.00 54.58 51.79 1r39 n ASN 155 Cb 0.34 -0.59 -0.15 0.00 -0.61 0.00 0.00 39.78 38.76 1r39 n ASN 155 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1r39 s LEU 156 N -1.92 2.82 0.12 3.41 1.43 -1.06 0.01 118.68 123.49 1r39 s LEU 156 Ca 0.51 -1.28 -0.22 0.00 -1.03 0.00 0.00 54.13 52.12 1r39 s LEU 156 Cb 0.34 -1.26 -0.07 0.00 0.03 0.00 0.00 46.19 45.23 1r39 s LEU 156 CO 0.24 -0.24 0.67 0.00 0.23 0.00 0.00 176.35 177.25 1r39 s ALA 157 N 1.33 3.52 0.10 4.21 0.00 -0.72 -0.13 121.76 130.06 1r39 s ALA 157 Ca -0.05 0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.13 1r39 s ALA 157 Cb -0.19 -2.79 -0.04 0.00 0.00 0.00 0.00 23.12 20.10 1r39 s ALA 157 CO -0.07 0.35 -0.08 0.08 0.00 0.00 0.00 175.76 176.04 1r39 s VAL 158 N -1.13 0.84 0.45 0.00 1.01 0.68 -1.71 120.40 120.54 1r39 s VAL 158 Ca 0.32 -1.76 0.03 0.00 0.00 0.00 0.00 61.98 60.57 1r39 s VAL 158 Cb -0.21 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 1r39 s VAL 158 CO 0.23 -0.69 0.05 0.54 0.00 0.00 0.00 175.10 175.23 1r39 s ASN 159 N -2.70 3.50 0.62 3.32 2.20 -0.75 -3.29 114.94 117.83 1r39 s ASN 159 Ca 0.08 -1.62 0.29 0.00 -0.94 0.00 0.00 52.86 50.67 1r39 s ASN 159 Cb 0.00 0.40 1.56 0.00 -2.00 0.00 0.00 41.25 41.21 1r39 s ASN 159 CO -0.02 -0.83 1.93 -0.08 -2.94 0.00 0.00 177.10 175.16 1r39 h GLU 160 N 1.60 0.00 -0.66 3.55 4.81 -1.91 0.14 114.58 122.10 1r39 h GLU 160 Ca -0.41 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1r39 h GLU 160 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1r39 h GLU 160 CO 0.68 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 178.71 1r39 n ASP 161 N -3.42 4.06 -0.72 1.04 8.00 -1.26 -4.92 116.55 119.33 1r39 n ASP 161 Ca 0.04 -2.22 -0.09 0.00 0.71 0.00 0.00 54.79 53.22 1r39 n ASP 161 Cb 0.51 -0.51 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 1r39 n ASP 161 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r39 s GLU 163 N -2.79 4.49 0.09 0.00 2.02 -1.26 -4.77 118.70 116.47 1r39 s GLU 163 Ca 0.00 1.11 0.07 0.00 0.02 0.00 0.00 54.97 56.17 1r39 s GLU 163 Cb 0.00 -3.07 -0.03 0.00 0.10 0.00 0.00 34.13 31.13 1r39 s GLU 163 CO 0.00 0.47 -0.19 -1.17 0.02 0.00 0.00 175.26 174.39 1r39 s LEU 164 N -1.55 2.27 -0.00 1.80 0.20 -1.26 -1.82 118.68 118.33 1r39 s LEU 164 Ca 0.40 -0.64 0.01 0.00 0.69 0.00 0.00 54.13 54.59 1r39 s LEU 164 Cb -0.21 -0.80 0.00 0.00 -0.43 0.00 0.00 46.19 44.76 1r39 s LEU 164 CO 0.24 0.04 -0.02 -0.54 -0.29 0.00 0.00 176.35 175.78 1r39 s LYS 165 N -1.75 0.18 -0.11 1.98 1.02 -0.69 -4.32 119.74 116.05 1r39 s LYS 165 Ca 0.04 -0.06 -0.28 0.00 0.02 0.00 0.00 55.97 55.69 1r39 s LYS 165 Cb -0.10 -0.20 -0.01 0.00 -0.52 0.00 0.00 37.83 37.00 1r39 s LYS 165 CO 0.03 0.03 0.94 0.42 -0.92 0.00 0.00 175.35 175.85 1r39 s ILE 166 N 0.07 4.83 0.43 2.17 1.01 0.25 -1.76 121.20 128.19 1r39 s ILE 166 Ca -0.00 1.91 0.08 0.00 0.00 0.00 0.00 60.65 62.63 1r39 s ILE 166 Cb -0.02 -4.25 0.01 0.00 0.01 0.00 0.00 42.46 38.21 1r39 s ILE 166 CO -0.00 0.03 0.57 -0.76 0.00 0.00 0.00 174.94 174.78 1r39 s LEU 167 N 1.92 3.59 0.00 2.97 1.43 0.10 -1.59 118.68 127.11 1r39 s LEU 167 Ca 0.45 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 1r39 s LEU 167 Cb -0.18 -2.53 0.00 0.00 0.03 0.00 0.00 46.19 43.51 1r39 s LEU 167 CO 0.17 -0.79 0.00 -0.90 0.23 0.00 0.00 176.35 175.06 1r39 n ASP 168 N -1.85 0.00 -4.52 2.29 5.75 -1.26 -4.84 116.55 112.12 1r39 n ASP 168 Ca 0.08 0.00 -0.28 0.00 -0.01 0.00 0.00 54.79 54.58 1r39 n ASP 168 Cb 0.59 0.00 0.22 0.00 -1.03 0.00 0.00 41.12 40.91 1r39 n ASP 168 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1r39 s PHE 169 N 0.00 1.60 0.20 2.11 0.40 -1.26 -4.91 117.98 116.11 1r39 s PHE 169 Ca 0.00 1.02 -0.31 0.00 -0.60 0.00 0.00 56.93 57.04 1r39 s PHE 169 Cb 0.00 -3.18 -0.10 0.00 0.51 0.00 0.00 43.02 40.25 1r39 s PHE 169 CO 0.00 -3.53 1.54 0.20 0.70 0.00 0.00 175.22 174.13 1r39 s GLY 170 N -3.00 1.79 -0.04 4.36 0.00 0.34 -4.96 107.32 105.81 1r39 s GLY 170 Ca 0.67 1.38 -0.04 0.00 0.00 0.00 0.00 44.72 46.74 1r39 s GLY 170 CO 0.61 2.54 -0.08 1.04 0.00 0.00 0.00 173.10 177.21 1r39 n LEU 171 N 3.41 0.67 -0.30 0.66 4.77 -1.26 -4.87 117.00 120.08 1r39 n LEU 171 Ca 0.12 0.11 -0.04 0.00 -0.03 0.00 0.00 56.01 56.17 1r39 n LEU 171 Cb 0.39 -0.25 -0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1r39 n LEU 171 CO 0.61 -0.06 0.02 0.35 -1.33 0.00 0.00 177.39 176.98 1r39 n THR 175 N -3.40 0.08 0.20 -5.08 -2.24 -1.26 -5.14 114.28 97.45 1r39 n THR 175 Ca -0.11 -0.02 0.09 0.00 -2.27 0.00 0.00 64.05 61.75 1r39 n THR 175 Cb 0.47 0.00 0.24 0.00 -2.10 0.00 0.00 70.33 68.94 1r39 n THR 175 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1r39 h ASP 176 N 0.12 0.00 -1.22 3.42 3.58 -2.05 -3.27 116.42 117.00 1r39 h ASP 176 Ca -0.03 0.00 0.36 0.00 0.42 0.00 0.00 57.03 57.79 1r39 h ASP 176 Cb 0.10 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 41.05 1r39 h ASP 176 CO 0.04 0.20 0.81 -0.78 -2.88 0.00 0.00 179.24 176.63 1r39 h ASP 177 N 0.00 0.28 0.74 2.28 3.58 -2.07 2.47 116.42 123.70 1r39 h ASP 177 Ca -0.00 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.54 1r39 h ASP 177 Cb 1.02 0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.12 1r39 h ASP 177 CO 0.03 -0.04 0.00 -0.62 -2.88 0.00 0.00 179.24 175.72 1r39 n GLU 178 N -4.56 0.04 -0.21 0.28 1.02 -1.23 -2.72 120.64 113.26 1r39 n GLU 178 Ca 0.31 0.19 0.08 0.00 -0.02 0.00 0.00 57.16 57.73 1r39 n GLU 178 Cb 1.21 -1.56 0.19 0.00 -0.02 0.00 0.00 31.44 31.26 1r39 n GLU 178 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1r39 n MET 179 N -1.64 2.52 -3.51 3.49 2.81 0.83 -4.73 117.12 116.89 1r39 n MET 179 Ca 0.05 -2.14 -0.38 0.00 -1.81 0.00 0.00 57.70 53.41 1r39 n MET 179 Cb 0.24 -1.38 -0.06 0.00 -0.71 0.00 0.00 33.22 31.32 1r39 n MET 179 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1r39 s THR 180 N -1.07 5.04 0.00 2.03 -4.23 -1.10 -4.81 115.64 111.51 1r39 s THR 180 Ca 0.31 0.82 0.00 0.00 -1.18 0.00 0.00 61.69 61.64 1r39 s THR 180 Cb 0.17 -3.70 0.00 0.00 1.34 0.00 0.00 72.50 70.30 1r39 s THR 180 CO 0.22 0.57 0.00 0.61 -0.54 0.00 0.00 174.62 175.49 1r39 n GLY 181 N 1.79 -1.82 3.45 3.99 0.00 -1.25 -4.53 105.19 106.82 1r39 n GLY 181 Ca -0.14 -1.56 -0.40 0.00 0.00 0.00 0.00 46.02 43.92 1r39 n GLY 181 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1r39 n TYR 182 N 0.00 3.98 -4.47 1.61 9.36 -1.12 -4.02 117.16 122.49 1r39 n TYR 182 Ca 0.00 -2.51 -0.21 0.00 3.32 0.00 0.00 57.90 58.50 1r39 n TYR 182 Cb 0.00 -2.58 -0.15 0.00 -0.63 0.00 0.00 39.34 35.97 1r39 n TYR 182 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 1r39 s VAL 183 N 5.62 0.88 0.47 2.97 -7.23 -1.26 -5.03 120.40 116.81 1r39 s VAL 183 Ca 0.56 -0.43 0.13 0.00 -1.81 0.00 0.00 61.98 60.43 1r39 s VAL 183 Cb 0.05 -0.76 0.24 0.00 0.56 0.00 0.00 36.38 36.46 1r39 s VAL 183 CO 0.07 0.26 2.08 0.00 -0.31 0.00 0.00 175.10 177.20 1r39 h ALA 184 N 6.20 1.83 0.00 1.32 0.00 -1.93 -2.79 119.26 123.88 1r39 h ALA 184 Ca -0.33 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1r39 h ALA 184 Cb 1.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1r39 h ALA 184 CO 0.49 0.14 0.01 0.25 0.00 0.00 0.00 179.25 180.14 1r39 n THR 185 N -4.46 1.46 -0.01 0.00 -2.24 -1.26 -2.24 114.28 105.53 1r39 n THR 185 Ca -0.01 0.63 0.01 0.00 -2.27 0.00 0.00 64.05 62.41 1r39 n THR 185 Cb 0.13 -1.63 -0.02 0.00 -2.10 0.00 0.00 70.33 66.70 1r39 n THR 185 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1r39 n ARG 186 N -1.91 1.03 0.31 -0.78 0.63 -1.06 -4.72 116.66 110.16 1r39 n ARG 186 Ca -0.01 -0.02 0.18 0.00 -0.92 0.00 0.00 57.85 57.08 1r39 n ARG 186 Cb 0.03 -1.08 0.99 0.00 0.45 0.00 0.00 32.46 32.84 1r39 n ARG 186 CO 0.00 0.00 0.00 -1.49 -2.51 0.00 0.00 177.63 173.63 1r39 h TRP 187 N 0.00 0.00 -0.55 -0.14 6.55 -1.40 -1.97 115.95 118.43 1r39 h TRP 187 Ca -0.02 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.82 1r39 h TRP 187 Cb 0.43 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.73 1r39 h TRP 187 CO 0.00 0.00 0.00 0.66 -1.05 0.00 0.00 178.44 178.05 1r39 n TYR 188 N -2.88 0.74 -3.15 0.49 4.01 -1.26 -4.62 117.16 110.49 1r39 n TYR 188 Ca -0.02 -0.46 -0.39 0.00 -0.16 0.00 0.00 57.90 56.86 1r39 n TYR 188 Cb 0.18 -0.01 -0.06 0.00 -0.31 0.00 0.00 39.34 39.14 1r39 n TYR 188 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1r39 s ARG 189 N -1.05 4.36 0.54 -0.72 0.52 -0.74 -3.82 118.95 118.05 1r39 s ARG 189 Ca 0.39 0.85 -0.22 0.00 -0.52 0.00 0.00 55.73 56.23 1r39 s ARG 189 Cb 0.20 -3.32 -0.05 0.00 0.52 0.00 0.00 34.95 32.31 1r39 s ARG 189 CO 0.27 0.43 1.38 0.00 0.02 0.00 0.00 175.30 177.39 1r39 s ALA 190 N -0.45 2.85 0.22 2.13 0.00 -1.26 -4.82 121.76 120.43 1r39 s ALA 190 Ca 0.33 1.37 -0.09 0.00 0.00 0.00 0.00 51.96 53.57 1r39 s ALA 190 Cb -0.19 -3.58 0.19 0.00 0.00 0.00 0.00 23.12 19.53 1r39 s ALA 190 CO 0.20 -1.40 1.89 -1.00 0.00 0.00 0.00 175.76 175.45 1r39 h PRO 191 N 1.50 1.08 -0.05 0.00 0.13 -1.96 -1.68 132.00 131.01 1r39 h PRO 191 Ca -0.51 -0.06 0.02 0.00 -0.87 0.00 0.00 66.00 64.57 1r39 h PRO 191 Cb 1.30 -0.24 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 1r39 h PRO 191 CO 0.57 0.71 0.06 1.05 -0.23 0.00 0.00 178.00 180.16 1r39 h GLU 192 N 1.11 0.00 0.01 0.86 9.09 -1.91 -0.79 114.58 122.95 1r39 h GLU 192 Ca 0.30 0.00 -0.34 0.00 0.05 0.00 0.00 59.36 59.37 1r39 h GLU 192 Cb -0.12 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 26.92 1r39 h GLU 192 CO -0.07 0.00 -2.12 0.44 0.05 0.00 0.00 179.01 177.31 1r39 n ILE 193 N -3.90 1.52 -0.25 -1.06 -5.35 -1.02 -0.33 119.36 108.96 1r39 n ILE 193 Ca -0.02 -0.78 0.01 0.00 -0.27 0.00 0.00 62.75 61.70 1r39 n ILE 193 Cb 0.15 -0.90 0.24 0.00 -1.74 0.00 0.00 39.64 37.39 1r39 n ILE 193 CO 0.00 0.00 0.00 -0.03 -1.76 0.00 0.00 176.55 174.76 1r39 h MET 194 N 0.01 1.01 -0.36 6.28 4.05 -0.49 -2.16 114.93 123.27 1r39 h MET 194 Ca -0.45 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 58.91 1r39 h MET 194 Cb 2.10 -0.23 0.00 0.00 -0.80 0.00 0.00 31.60 32.68 1r39 h MET 194 CO 0.04 0.67 0.00 1.28 0.23 0.00 0.00 176.91 179.13 1r39 n LEU 195 N -4.43 3.94 -4.00 3.39 4.77 -0.38 -4.99 117.00 115.31 1r39 n LEU 195 Ca 0.10 -2.69 -0.28 0.00 -0.03 0.00 0.00 56.01 53.11 1r39 n LEU 195 Cb 0.08 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 40.67 1r39 n LEU 195 CO 0.35 0.70 -0.16 0.59 -1.33 0.00 0.00 177.39 177.55 1r39 n ASN 196 N 0.05 -1.28 0.10 -1.43 3.02 -0.81 -4.87 115.26 110.03 1r39 n ASN 196 Ca 0.20 -0.98 -0.03 0.00 -0.03 0.00 0.00 54.58 53.74 1r39 n ASN 196 Cb 0.81 -3.10 0.00 0.00 -0.61 0.00 0.00 39.78 36.88 1r39 n ASN 196 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 1r39 h TRP 197 N -1.79 0.00 -2.77 3.10 6.55 -0.95 -3.48 115.95 116.61 1r39 h TRP 197 Ca -0.62 0.00 0.07 0.00 0.95 0.00 0.00 58.89 59.30 1r39 h TRP 197 Cb 1.38 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 29.65 1r39 h TRP 197 CO 0.52 0.78 0.40 0.00 -1.05 0.00 0.00 178.44 179.09 1r39 s MET 198 N -3.01 1.76 0.19 0.49 0.23 -1.22 -3.39 119.30 114.36 1r39 s MET 198 Ca 0.01 -1.11 -0.30 0.00 -1.03 0.00 0.00 55.69 53.26 1r39 s MET 198 Cb 0.10 0.51 -0.09 0.00 -1.53 0.00 0.00 34.83 33.83 1r39 s MET 198 CO 0.78 -0.82 1.34 -1.01 -2.03 0.00 0.00 175.02 173.28 1r39 s HIS 199 N -2.52 3.22 0.01 3.16 3.76 -1.26 -4.77 115.29 116.90 1r39 s HIS 199 Ca 0.17 1.15 -0.20 0.00 -0.15 0.00 0.00 55.06 56.02 1r39 s HIS 199 Cb -0.04 -3.65 -0.06 0.00 1.11 0.00 0.00 32.58 29.95 1r39 s HIS 199 CO 0.08 -2.08 0.59 1.52 -0.85 0.00 0.00 174.74 174.00 1r39 s TYR 200 N 0.26 3.71 0.52 1.40 -0.85 -1.26 -5.05 117.35 116.08 1r39 s TYR 200 Ca 0.58 1.22 0.02 0.00 -0.52 0.00 0.00 57.07 58.38 1r39 s TYR 200 Cb -0.37 -2.58 0.00 0.00 0.38 0.00 0.00 41.96 39.38 1r39 s TYR 200 CO 0.38 0.41 0.12 0.54 -1.52 0.00 0.00 175.55 175.47 1r39 s ASN 201 N -0.41 4.28 0.52 -0.18 4.22 -1.26 -5.01 114.94 117.10 1r39 s ASN 201 Ca 0.31 -1.53 0.24 0.00 -2.14 0.00 0.00 52.86 49.74 1r39 s ASN 201 Cb -0.19 0.47 1.33 0.00 1.28 0.00 0.00 41.25 44.15 1r39 s ASN 201 CO 0.18 -0.92 1.72 0.06 -2.04 0.00 0.00 177.10 176.09 1r39 h GLN 202 N 1.18 0.00 0.00 3.55 3.07 -1.97 -0.56 115.11 120.38 1r39 h GLN 202 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.32 1r39 h GLN 202 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.87 1r39 h GLN 202 CO 0.69 0.00 0.00 1.79 0.09 0.00 0.00 178.83 181.40 1r39 h THR 203 N 0.00 0.00 -0.49 1.86 1.35 -1.95 -1.20 112.91 112.48 1r39 h THR 203 Ca 0.00 -0.18 -0.01 0.00 -0.55 0.00 0.00 66.41 65.67 1r39 h THR 203 Cb 0.54 1.07 -0.02 0.00 -1.73 0.00 0.00 68.15 68.00 1r39 h THR 203 CO 0.00 0.00 0.26 0.58 -0.25 0.00 0.00 175.52 176.11 1r39 h VAL 204 N 0.00 1.16 -0.34 6.82 2.07 -1.47 -2.36 116.25 122.14 1r39 h VAL 204 Ca 0.00 -0.40 -0.14 0.00 0.82 0.00 0.00 66.70 66.97 1r39 h VAL 204 Cb 0.19 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1r39 h VAL 204 CO 0.00 0.17 -0.36 0.44 0.02 0.00 0.00 177.57 177.84 1r39 h ASP 205 N 0.69 0.82 -0.73 0.57 3.32 -1.44 -2.80 116.42 116.85 1r39 h ASP 205 Ca 0.18 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1r39 h ASP 205 Cb 0.03 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.32 1r39 h ASP 205 CO -0.03 1.09 0.47 0.40 -1.72 0.00 0.00 179.24 179.46 1r39 h ILE 206 N 0.64 1.19 -0.76 0.35 1.08 -1.51 -0.90 117.51 117.61 1r39 h ILE 206 Ca 0.06 -0.37 -0.02 0.00 -0.39 0.00 0.00 64.86 64.13 1r39 h ILE 206 Cb 0.91 0.12 -0.04 0.00 -3.07 0.00 0.00 36.82 34.75 1r39 h ILE 206 CO 0.08 0.19 0.38 -0.25 -0.69 0.00 0.00 178.15 177.87 1r39 h TRP 207 N 1.00 1.09 -0.82 1.37 2.91 -1.22 -2.19 115.95 118.09 1r39 h TRP 207 Ca 0.27 -0.04 -0.02 0.00 1.13 0.00 0.00 58.89 60.22 1r39 h TRP 207 Cb -0.10 -0.34 -0.04 0.00 -0.51 0.00 0.00 29.16 28.18 1r39 h TRP 207 CO 0.00 0.79 0.43 0.77 -1.03 0.00 0.00 178.44 179.39 1r39 h SER 208 N 1.07 1.04 -0.57 2.65 0.02 -1.01 -2.47 113.55 114.28 1r39 h SER 208 Ca 0.26 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 1r39 h SER 208 Cb 0.09 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 1r39 h SER 208 CO -0.04 0.85 0.29 0.58 -1.14 0.00 0.00 176.83 177.38 1r39 h VAL 209 N 1.15 1.20 -0.51 2.27 2.07 -0.90 -1.21 116.25 120.32 1r39 h VAL 209 Ca 0.29 -0.53 0.01 0.00 0.82 0.00 0.00 66.70 67.28 1r39 h VAL 209 Cb 0.06 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 1r39 h VAL 209 CO -0.04 0.22 0.33 1.23 0.02 0.00 0.00 177.57 179.33 1r39 h GLY 210 N 0.77 0.72 0.91 2.17 0.00 -1.07 0.20 103.07 106.77 1r39 h GLY 210 Ca 0.20 -0.26 0.03 0.00 0.00 0.00 0.00 47.33 47.29 1r39 h GLY 210 CO -0.03 0.25 0.51 0.00 0.00 0.00 0.00 176.54 177.27 1r39 h ILE 212 N 1.01 1.34 -0.78 0.00 2.04 -0.80 -2.60 117.51 117.71 1r39 h ILE 212 Ca 0.31 -1.16 -0.04 0.00 1.00 0.00 0.00 64.86 64.97 1r39 h ILE 212 Cb -0.02 1.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.91 1r39 h ILE 212 CO -0.10 0.33 0.33 -0.03 0.00 0.00 0.00 178.15 178.68 1r39 h MET 213 N -0.15 1.15 -0.42 2.37 4.05 -0.42 -0.95 114.93 120.56 1r39 h MET 213 Ca 0.02 -0.19 0.01 0.00 -0.28 0.00 0.00 59.70 59.25 1r39 h MET 213 Cb 0.56 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 31.14 1r39 h MET 213 CO 0.02 0.92 0.27 0.00 0.23 0.00 0.00 176.91 178.35 1r39 h ALA 214 N 1.23 0.54 -0.53 0.39 0.00 -1.00 -1.70 119.26 118.19 1r39 h ALA 214 Ca 0.26 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1r39 h ALA 214 Cb 0.18 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1r39 h ALA 214 CO -0.03 -0.02 0.20 1.49 0.00 0.00 0.00 179.25 180.89 1r39 h GLU 215 N 0.56 0.81 0.00 0.00 4.81 -1.05 -0.72 114.58 118.99 1r39 h GLU 215 Ca 0.16 -0.15 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 1r39 h GLU 215 Cb -0.05 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 1r39 h GLU 215 CO -0.04 0.71 -0.22 -0.07 -0.73 0.00 0.00 179.01 178.66 1r39 h LEU 216 N 0.73 0.00 0.08 1.64 3.38 -0.94 1.03 115.31 121.23 1r39 h LEU 216 Ca 0.18 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.87 1r39 h LEU 216 Cb 0.22 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.98 1r39 h LEU 216 CO -0.01 0.22 -1.22 -0.07 0.09 0.00 0.00 178.44 177.45 1r39 h LEU 217 N 0.00 0.54 0.00 1.67 3.38 -0.61 -3.38 115.31 116.91 1r39 h LEU 217 Ca -0.00 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1r39 h LEU 217 Cb 0.40 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1r39 h LEU 217 CO 0.03 1.40 -1.84 0.35 0.09 0.00 0.00 178.44 178.47 1r39 n THR 218 N -3.62 0.00 -0.91 0.22 -2.24 -0.34 -4.97 114.28 102.42 1r39 n THR 218 Ca -0.10 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1r39 n THR 218 Cb 1.00 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 1r39 n THR 218 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r39 n GLY 219 N 1.41 0.78 3.23 3.38 0.00 0.35 -5.01 105.19 109.34 1r39 n GLY 219 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 1r39 n GLY 219 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r39 s ARG 220 N -0.09 1.12 0.19 1.61 1.81 -1.22 -5.02 118.95 117.34 1r39 s ARG 220 Ca 0.00 -0.97 -0.31 0.00 -1.72 0.00 0.00 55.73 52.73 1r39 s ARG 220 Cb 0.00 -1.24 -0.10 0.00 -0.45 0.00 0.00 34.95 33.16 1r39 s ARG 220 CO 0.00 0.30 1.50 0.99 -0.68 0.00 0.00 175.30 177.41 1r39 s THR 221 N -1.00 2.72 0.08 0.02 2.01 -1.26 -3.93 115.64 114.29 1r39 s THR 221 Ca 0.04 0.55 -0.17 0.00 0.31 0.00 0.00 61.69 62.42 1r39 s THR 221 Cb -0.09 -3.35 -0.08 0.00 0.01 0.00 0.00 72.50 68.98 1r39 s THR 221 CO 0.03 0.06 1.47 0.25 -0.69 0.00 0.00 174.62 175.74 1r39 h LEU 222 N 6.12 0.53 -6.13 4.42 5.85 -1.93 -3.38 115.31 120.78 1r39 h LEU 222 Ca -0.44 -0.38 -0.58 0.00 0.84 0.00 0.00 57.88 57.32 1r39 h LEU 222 Cb 1.21 -0.15 -0.41 0.00 0.37 0.00 0.00 40.66 41.69 1r39 h LEU 222 CO 0.86 0.79 -0.82 0.49 -0.34 0.00 0.00 178.44 179.41 1r39 n PHE 223 N -4.51 1.85 -1.49 1.25 3.72 -1.26 -4.99 117.46 112.03 1r39 n PHE 223 Ca -0.04 -3.89 -0.41 0.00 -0.05 0.00 0.00 57.45 53.06 1r39 n PHE 223 Cb 0.32 -0.46 -0.02 0.00 -0.94 0.00 0.00 39.48 38.38 1r39 n PHE 223 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1r39 n PRO 224 N 1.14 2.54 -2.15 -1.08 -0.04 -1.26 -4.72 135.00 129.44 1r39 n PRO 224 Ca 0.26 -2.31 -0.39 0.00 -0.04 0.00 0.00 63.50 61.02 1r39 n PRO 224 Cb 0.46 -3.10 -0.01 0.00 -0.04 0.00 0.00 33.50 30.80 1r39 n PRO 224 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1r39 s GLY 225 N 3.58 2.93 0.16 0.55 0.00 -1.26 -4.91 107.32 108.37 1r39 s GLY 225 Ca 0.52 1.14 0.24 0.00 0.00 0.00 0.00 44.72 46.62 1r39 s GLY 225 CO -0.03 1.72 1.73 -1.30 0.00 0.00 0.00 173.10 175.22 1r39 n THR 226 N 0.27 0.64 -3.95 0.90 -2.24 -1.26 -4.12 114.28 104.51 1r39 n THR 226 Ca 0.03 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1r39 n THR 226 Cb 0.44 -0.83 0.02 0.00 -2.10 0.00 0.00 70.33 67.86 1r39 n THR 226 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1r39 s ASP 227 N -3.95 0.01 0.24 3.42 1.47 -1.26 -2.81 116.67 113.78 1r39 s ASP 227 Ca 0.08 -0.43 -0.06 0.00 1.18 0.00 0.00 52.55 53.32 1r39 s ASP 227 Cb 0.12 0.31 0.31 0.00 -0.34 0.00 0.00 42.92 43.32 1r39 s ASP 227 CO 0.47 -0.62 1.85 0.45 0.68 0.00 0.00 175.17 178.00 1r39 h HIS 228 N 2.00 0.95 -0.17 2.11 3.86 -1.88 -0.11 115.15 121.91 1r39 h HIS 228 Ca -0.24 0.03 -0.20 0.00 -1.16 0.00 0.00 60.37 58.79 1r39 h HIS 228 Cb 1.20 -0.31 0.01 0.00 1.06 0.00 0.00 27.41 29.37 1r39 h HIS 228 CO 1.44 0.49 -0.68 0.82 0.86 0.00 0.00 177.93 180.86 1r39 h ILE 229 N 0.95 1.29 -0.62 2.45 1.08 -1.99 -1.00 117.51 119.68 1r39 h ILE 229 Ca 0.36 -1.90 -0.04 0.00 -0.39 0.00 0.00 64.86 62.89 1r39 h ILE 229 Cb 0.15 1.96 -0.03 0.00 -3.07 0.00 0.00 36.82 35.83 1r39 h ILE 229 CO -0.16 0.60 0.22 -0.78 -0.69 0.00 0.00 178.15 177.34 1r39 h ASP 230 N 0.48 0.87 -0.61 1.72 3.58 -1.91 -1.55 116.42 119.01 1r39 h ASP 230 Ca -0.04 -0.19 -0.02 0.00 0.42 0.00 0.00 57.03 57.20 1r39 h ASP 230 Cb 1.31 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 42.11 1r39 h ASP 230 CO 0.14 0.82 0.30 -0.61 -2.88 0.00 0.00 179.24 177.02 1r39 h GLN 231 N 0.87 0.86 -0.91 0.28 4.15 -0.95 -2.21 115.11 117.21 1r39 h GLN 231 Ca 0.20 -0.12 0.05 0.00 0.77 0.00 0.00 58.65 59.55 1r39 h GLN 231 Cb 0.24 -0.16 -0.06 0.00 0.21 0.00 0.00 27.48 27.72 1r39 h GLN 231 CO -0.01 0.69 0.59 1.25 -1.93 0.00 0.00 178.83 179.42 1r39 h LEU 232 N 0.83 0.94 -0.78 -2.39 5.85 -0.67 -1.44 115.31 117.64 1r39 h LEU 232 Ca 0.21 -0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.81 1r39 h LEU 232 Cb 0.10 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1r39 h LEU 232 CO -0.03 0.62 -0.32 0.11 -0.34 0.00 0.00 178.44 178.48 1r39 h LYS 233 N 1.08 0.55 -0.47 1.25 1.57 -0.72 0.42 116.57 120.25 1r39 h LYS 233 Ca 0.38 -0.24 -0.11 0.00 -1.87 0.00 0.00 60.65 58.81 1r39 h LYS 233 Cb 0.12 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1r39 h LYS 233 CO -0.13 0.81 -0.13 -0.07 -0.57 0.00 0.00 179.45 179.36 1r39 h LEU 234 N 0.47 0.88 0.32 2.94 3.38 -0.87 -1.85 115.31 120.57 1r39 h LEU 234 Ca 0.06 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1r39 h LEU 234 Cb 0.79 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1r39 h LEU 234 CO 0.06 1.01 -0.15 0.40 0.09 0.00 0.00 178.44 179.85 1r39 h ILE 235 N 0.78 0.61 -0.51 1.22 2.04 -0.92 -2.91 117.51 117.83 1r39 h ILE 235 Ca 0.12 -0.69 0.10 0.00 1.00 0.00 0.00 64.86 65.39 1r39 h ILE 235 Cb 0.65 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 1r39 h ILE 235 CO 0.05 0.12 0.35 -0.07 0.00 0.00 0.00 178.15 178.59 1r39 h LEU 236 N -0.85 0.22 -0.74 1.44 3.38 -0.94 -0.15 115.31 117.67 1r39 h LEU 236 Ca -0.04 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1r39 h LEU 236 Cb 0.52 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1r39 h LEU 236 CO 0.07 0.13 0.12 -0.09 0.09 0.00 0.00 178.44 178.77 1r39 h ARG 237 N 0.24 1.09 -0.00 1.13 2.43 -1.31 0.62 114.38 118.58 1r39 h ARG 237 Ca 0.24 -0.28 -0.08 0.00 -0.81 0.00 0.00 59.98 59.05 1r39 h ARG 237 Cb 0.61 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 30.03 1r39 h ARG 237 CO -0.05 0.98 -0.30 1.25 -1.51 0.00 0.00 179.97 180.35 1r39 h LEU 238 N 1.02 0.26 -2.09 3.80 5.85 -0.87 -3.38 115.31 119.90 1r39 h LEU 238 Ca 0.21 -0.78 0.00 0.00 0.84 0.00 0.00 57.88 58.15 1r39 h LEU 238 Cb 0.41 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.36 1r39 h LEU 238 CO 0.01 1.01 0.00 1.33 -0.34 0.00 0.00 178.44 180.44 1r39 n VAL 239 N -4.47 0.24 0.00 1.05 0.24 -0.45 -0.94 118.33 114.00 1r39 n VAL 239 Ca -0.10 -0.62 0.00 0.00 -2.04 0.00 0.00 64.34 61.58 1r39 n VAL 239 Cb 0.53 1.24 0.00 0.00 -1.47 0.00 0.00 33.84 34.13 1r39 n VAL 239 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1r39 n GLY 240 N 1.33 -0.90 3.86 7.63 0.00 0.22 -4.21 105.19 113.12 1r39 n GLY 240 Ca 0.16 -1.60 -0.31 0.00 0.00 0.00 0.00 46.02 44.26 1r39 n GLY 240 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r39 s THR 241 N -3.02 4.56 0.70 2.61 -4.23 -0.72 -4.58 115.64 110.95 1r39 s THR 241 Ca 0.00 0.91 -0.16 0.00 -1.18 0.00 0.00 61.69 61.26 1r39 s THR 241 Cb 0.00 -3.77 0.02 0.00 1.34 0.00 0.00 72.50 70.10 1r39 s THR 241 CO 0.00 -1.01 1.25 -2.84 -0.54 0.00 0.00 174.62 171.47 1r39 s PRO 242 N -4.94 2.25 0.41 3.99 0.02 -1.26 -4.83 135.00 130.64 1r39 s PRO 242 Ca 0.56 1.90 0.07 0.00 0.02 0.00 0.00 61.00 63.55 1r39 s PRO 242 Cb -0.11 -1.83 0.07 0.00 0.02 0.00 0.00 34.50 32.65 1r39 s PRO 242 CO 0.50 -1.79 0.57 0.41 -0.33 0.00 0.00 177.00 176.36 1r39 n GLY 243 N 0.65 1.93 0.21 0.52 0.00 -1.26 -4.93 105.19 102.30 1r39 n GLY 243 Ca 0.15 -2.20 0.02 0.00 0.00 0.00 0.00 46.02 43.99 1r39 n GLY 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r39 h ALA 244 N 0.21 1.38 -0.25 4.61 0.00 -1.98 -1.65 119.26 121.58 1r39 h ALA 244 Ca -0.19 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.25 1r39 h ALA 244 Cb 0.88 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1r39 h ALA 244 CO 0.27 0.44 -0.51 1.49 0.00 0.00 0.00 179.25 180.95 1r39 h GLU 245 N 0.12 0.71 0.00 0.00 4.81 -2.01 -2.33 114.58 115.88 1r39 h GLU 245 Ca 0.02 -0.42 -0.20 0.00 -0.13 0.00 0.00 59.36 58.63 1r39 h GLU 245 Cb 0.58 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 1r39 h GLU 245 CO 0.04 1.04 -0.87 1.25 -0.73 0.00 0.00 179.01 179.74 1r39 h LEU 246 N 0.55 0.26 -1.20 1.64 5.85 -1.91 -3.27 115.31 117.23 1r39 h LEU 246 Ca 0.02 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.49 1r39 h LEU 246 Cb 1.07 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 1r39 h LEU 246 CO 0.10 1.01 0.12 -0.07 -0.34 0.00 0.00 178.44 179.27 1r39 h LEU 247 N 0.11 0.62 -1.57 2.25 3.38 -1.13 -2.58 115.31 116.39 1r39 h LEU 247 Ca -0.04 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1r39 h LEU 247 Cb 1.50 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 1r39 h LEU 247 CO 0.13 0.61 -0.22 0.11 0.09 0.00 0.00 178.44 179.16 1r39 h LYS 248 N 0.66 0.00 0.00 1.13 1.57 -1.47 -2.58 116.57 115.88 1r39 h LYS 248 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1r39 h LYS 248 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1r39 h LYS 248 CO -0.00 0.22 0.00 1.63 -0.57 0.00 0.00 179.45 180.73 1r39 n LYS 249 N -4.22 0.06 -3.15 3.15 5.02 -0.97 -4.68 118.16 113.38 1r39 n LYS 249 Ca -0.02 0.05 -0.42 0.00 -2.02 0.00 0.00 58.31 55.90 1r39 n LYS 249 Cb 0.28 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.72 1r39 n LYS 249 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1r39 s ILE 250 N -2.93 4.91 0.06 -0.18 1.01 -0.97 -4.83 121.20 118.26 1r39 s ILE 250 Ca 0.15 0.37 -0.28 0.00 0.00 0.00 0.00 60.65 60.89 1r39 s ILE 250 Cb 0.17 -4.09 -0.14 0.00 0.01 0.00 0.00 42.46 38.42 1r39 s ILE 250 CO 0.46 -0.37 1.42 0.28 0.00 0.00 0.00 174.94 176.73 1r39 h SER 251 N 8.59 -0.99 -1.86 3.58 0.02 -1.83 -3.44 113.55 117.62 1r39 h SER 251 Ca -0.26 0.07 -0.66 0.00 -0.84 0.00 0.00 61.79 60.09 1r39 h SER 251 Cb 1.11 0.31 0.03 0.00 0.14 0.00 0.00 62.40 63.99 1r39 h SER 251 CO 0.84 -0.55 0.84 -0.24 -1.14 0.00 0.00 176.83 176.58 1r39 n SER 252 N -4.74 2.67 0.17 3.07 2.88 -1.26 -4.86 113.62 111.54 1r39 n SER 252 Ca -0.10 1.06 0.02 0.00 -1.33 0.00 0.00 58.87 58.51 1r39 n SER 252 Cb 0.37 -1.28 0.29 0.00 -0.75 0.00 0.00 64.21 62.84 1r39 n SER 252 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1r39 h GLU 253 N 6.93 0.00 -0.13 -1.46 4.81 -2.00 -2.86 114.58 119.87 1r39 h GLU 253 Ca -0.47 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.73 1r39 h GLU 253 Cb 1.30 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.67 1r39 h GLU 253 CO 0.90 0.47 -0.03 1.03 -0.73 0.00 0.00 179.01 180.65 1r39 h SER 254 N 0.00 0.26 -0.86 1.04 0.87 -1.97 -1.54 113.55 111.34 1r39 h SER 254 Ca -0.00 -0.37 0.04 0.00 -1.23 0.00 0.00 61.79 60.23 1r39 h SER 254 Cb 0.88 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.71 1r39 h SER 254 CO 0.06 0.56 0.55 0.00 -0.53 0.00 0.00 176.83 177.47 1r39 h ALA 255 N 0.70 1.15 0.09 6.23 0.00 -1.93 0.27 119.26 125.77 1r39 h ALA 255 Ca 0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1r39 h ALA 255 Cb 0.45 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1r39 h ALA 255 CO 0.01 0.37 -0.04 0.00 0.00 0.00 0.00 179.25 179.59 1r39 h ARG 256 N 1.06 -0.12 -0.81 0.00 3.08 -1.45 0.25 114.38 116.38 1r39 h ARG 256 Ca 0.35 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.50 1r39 h ARG 256 Cb 0.04 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.05 1r39 h ARG 256 CO -0.13 0.03 0.46 -0.91 -1.07 0.00 0.00 179.97 178.35 1r39 h ASN 257 N -0.24 0.66 -0.13 7.04 2.35 -0.66 0.21 115.58 124.81 1r39 h ASN 257 Ca -0.01 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1r39 h ASN 257 Cb 0.20 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1r39 h ASN 257 CO 0.02 0.38 0.03 0.22 -1.65 0.00 0.00 177.43 176.43 1r39 h TYR 258 N 0.78 0.21 -0.76 1.19 3.20 -0.10 -2.30 116.97 119.19 1r39 h TYR 258 Ca 0.39 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.25 1r39 h TYR 258 Cb 0.35 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.52 1r39 h TYR 258 CO -0.06 0.36 0.51 0.82 -1.64 0.00 0.00 178.16 178.14 1r39 h ILE 259 N 0.00 1.16 0.00 1.81 2.04 0.16 -1.19 117.51 121.50 1r39 h ILE 259 Ca 0.04 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1r39 h ILE 259 Cb 0.25 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.42 1r39 h ILE 259 CO 0.00 0.18 0.00 0.00 0.00 0.00 0.00 178.15 178.33 1r39 n GLN 260 N -4.43 0.06 0.18 2.37 6.02 0.67 -2.66 117.38 119.60 1r39 n GLN 260 Ca 0.09 0.19 0.11 0.00 -0.01 0.00 0.00 57.00 57.37 1r39 n GLN 260 Cb 0.07 -1.60 0.11 0.00 1.02 0.00 0.00 30.24 29.84 1r39 n GLN 260 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1r39 h SER 261 N 0.00 0.00 -4.05 1.08 4.64 -0.64 -3.46 113.55 111.11 1r39 h SER 261 Ca 0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 1r39 h SER 261 Cb 0.42 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.55 1r39 h SER 261 CO 0.00 0.06 0.42 -0.76 -0.87 0.00 0.00 176.83 175.69 1r39 s LEU 262 N -6.05 3.87 0.12 5.97 1.43 -1.09 -4.96 118.68 117.97 1r39 s LEU 262 Ca 0.05 2.10 -0.31 0.00 -1.03 0.00 0.00 54.13 54.94 1r39 s LEU 262 Cb 0.06 -4.48 -0.08 0.00 0.03 0.00 0.00 46.19 41.73 1r39 s LEU 262 CO 0.71 -0.95 1.34 -0.89 0.23 0.00 0.00 176.35 176.79 1r39 s THR 263 N -1.79 3.41 0.37 5.49 2.01 -1.26 -4.95 115.64 118.92 1r39 s THR 263 Ca 0.68 1.03 -0.26 0.00 0.31 0.00 0.00 61.69 63.45 1r39 s THR 263 Cb -0.22 -3.66 -0.09 0.00 0.01 0.00 0.00 72.50 68.54 1r39 s THR 263 CO 0.26 0.09 1.18 -1.10 -0.69 0.00 0.00 174.62 174.36 1r39 s GLN 264 N 0.89 4.20 0.05 4.92 -0.21 -1.26 -4.91 119.66 123.34 1r39 s GLN 264 Ca 0.62 1.89 0.02 0.00 0.02 0.00 0.00 55.36 57.91 1r39 s GLN 264 Cb -0.36 -2.82 -0.03 0.00 1.00 0.00 0.00 33.01 30.81 1r39 s GLN 264 CO 0.31 -0.21 -0.07 -1.64 -2.12 0.00 0.00 175.29 171.57 1r39 s MET 265 N -2.09 0.55 0.57 2.91 -1.94 -1.26 -4.97 119.30 113.07 1r39 s MET 265 Ca 0.54 -0.86 -0.02 0.00 -1.71 0.00 0.00 55.69 53.64 1r39 s MET 265 Cb -0.32 -0.20 0.02 0.00 2.01 0.00 0.00 34.83 36.35 1r39 s MET 265 CO 0.41 0.02 0.83 -1.25 -0.01 0.00 0.00 175.02 175.01 1r39 s PRO 266 N -2.07 2.68 0.38 2.03 0.04 -1.26 -1.76 135.00 135.04 1r39 s PRO 266 Ca -0.06 -0.44 -0.27 0.00 0.04 0.00 0.00 61.00 60.27 1r39 s PRO 266 Cb -0.06 -2.39 -0.09 0.00 0.04 0.00 0.00 34.50 31.99 1r39 s PRO 266 CO -0.01 -0.71 1.29 0.21 0.04 0.00 0.00 177.00 177.81 1r39 s LYS 267 N -4.86 4.10 0.70 4.56 2.20 -1.26 -3.72 119.74 121.46 1r39 s LYS 267 Ca 0.55 2.14 -0.10 0.00 -0.36 0.00 0.00 55.97 58.20 1r39 s LYS 267 Cb -0.10 -2.85 0.03 0.00 -1.51 0.00 0.00 37.83 33.40 1r39 s LYS 267 CO 0.41 -0.38 1.06 -1.64 -0.36 0.00 0.00 175.35 174.45 1r39 s MET 268 N -2.10 2.60 -0.31 4.03 -1.94 -0.11 -4.88 119.30 116.58 1r39 s MET 268 Ca 0.54 0.19 -0.28 0.00 -1.71 0.00 0.00 55.69 54.43 1r39 s MET 268 Cb -0.38 -2.08 0.01 0.00 2.01 0.00 0.00 34.83 34.40 1r39 s MET 268 CO 0.49 -1.11 1.04 1.21 -0.01 0.00 0.00 175.02 176.64 1r39 s ASN 269 N -4.41 6.91 0.43 3.03 3.84 -1.26 -4.92 114.94 118.56 1r39 s ASN 269 Ca 0.58 1.03 0.19 0.00 0.21 0.00 0.00 52.86 54.87 1r39 s ASN 269 Cb -0.11 -2.53 1.00 0.00 -0.55 0.00 0.00 41.25 39.06 1r39 s ASN 269 CO 0.49 -0.84 1.92 -0.26 -2.79 0.00 0.00 177.10 175.62 1r39 h PHE 270 N 8.05 0.00 0.00 0.43 -1.00 -1.94 -2.57 116.94 119.91 1r39 h PHE 270 Ca -0.21 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.54 1r39 h PHE 270 Cb 1.06 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.62 1r39 h PHE 270 CO 0.82 0.26 -0.15 0.00 -1.61 0.00 0.00 178.31 177.63 1r39 h ALA 271 N 1.74 1.64 -0.14 2.45 0.00 -1.91 -0.55 119.26 122.50 1r39 h ALA 271 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1r39 h ALA 271 Cb 0.54 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1r39 h ALA 271 CO 0.03 0.19 0.00 0.09 0.00 0.00 0.00 179.25 179.56 1r39 n ASN 272 N -4.20 2.46 -0.13 0.00 3.02 -0.98 -3.54 115.26 111.89 1r39 n ASN 272 Ca -0.02 -1.82 -0.24 0.00 -0.03 0.00 0.00 54.58 52.47 1r39 n ASN 272 Cb 0.22 -0.08 -0.10 0.00 -0.61 0.00 0.00 39.78 39.21 1r39 n ASN 272 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1r39 n VAL 273 N 0.88 1.39 -2.33 2.41 0.31 -0.74 -4.58 118.33 115.66 1r39 n VAL 273 Ca 0.17 -0.41 -0.39 0.00 -0.01 0.00 0.00 64.34 63.70 1r39 n VAL 273 Cb 0.48 -1.68 0.02 0.00 -0.91 0.00 0.00 33.84 31.76 1r39 n VAL 273 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1r39 n PHE 274 N -3.83 2.96 -1.63 3.52 3.72 -0.29 -5.02 117.46 116.89 1r39 n PHE 274 Ca -0.48 -2.56 -0.47 0.00 -0.05 0.00 0.00 57.45 53.90 1r39 n PHE 274 Cb 0.89 -1.10 -0.03 0.00 -0.94 0.00 0.00 39.48 38.29 1r39 n PHE 274 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1r39 n ILE 275 N -0.30 0.89 -0.98 4.37 5.41 -1.23 -1.91 119.36 125.61 1r39 n ILE 275 Ca 0.49 -0.22 0.00 0.00 1.00 0.00 0.00 62.75 64.02 1r39 n ILE 275 Cb 0.27 -1.20 0.00 0.00 -0.71 0.00 0.00 39.64 38.01 1r39 n ILE 275 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1r39 n GLY 276 N 2.13 0.45 3.90 7.39 0.00 -1.26 -5.02 105.19 112.78 1r39 n GLY 276 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 1r39 n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r39 s ALA 277 N -2.04 3.61 0.00 4.61 0.00 -0.80 -5.00 121.76 122.14 1r39 s ALA 277 Ca 0.00 -0.55 -0.35 0.00 0.00 0.00 0.00 51.96 51.05 1r39 s ALA 277 Cb 0.00 -2.31 -0.14 0.00 0.00 0.00 0.00 23.12 20.67 1r39 s ALA 277 CO 0.00 0.22 1.66 -1.71 0.00 0.00 0.00 175.76 175.93 1r39 n ASN 278 N -0.98 2.84 0.09 0.00 2.85 -1.26 -4.84 115.26 113.95 1r39 n ASN 278 Ca -0.02 1.05 0.18 0.00 -0.11 0.00 0.00 54.58 55.69 1r39 n ASN 278 Cb 0.54 -1.32 0.72 0.00 1.24 0.00 0.00 39.78 40.95 1r39 n ASN 278 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1r39 h PRO 279 N 6.92 0.00 -0.49 1.20 0.13 -1.96 -0.42 132.00 137.38 1r39 h PRO 279 Ca -0.47 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.56 1r39 h PRO 279 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 1r39 h PRO 279 CO 0.90 0.00 -0.10 -0.07 -0.23 0.00 0.00 178.00 178.50 1r39 h LEU 280 N 0.00 0.88 -0.62 1.56 3.38 -1.99 -0.28 115.31 118.23 1r39 h LEU 280 Ca 0.18 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.78 1r39 h LEU 280 Cb 0.77 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1r39 h LEU 280 CO -0.00 0.99 0.01 0.00 0.09 0.00 0.00 178.44 179.53 1r39 h ALA 281 N 1.09 0.84 -0.67 1.53 0.00 -1.46 -1.68 119.26 118.91 1r39 h ALA 281 Ca 0.13 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1r39 h ALA 281 Cb 0.61 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1r39 h ALA 281 CO 0.04 0.68 0.19 0.28 0.00 0.00 0.00 179.25 180.44 1r39 h VAL 282 N 0.99 1.25 -0.00 0.00 2.07 -0.91 -1.31 116.25 118.35 1r39 h VAL 282 Ca 0.18 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 1r39 h VAL 282 Cb 0.56 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1r39 h VAL 282 CO 0.03 0.34 0.00 -0.78 0.02 0.00 0.00 177.57 177.18 1r39 h ASP 283 N 0.98 0.00 -0.91 0.57 3.58 -0.86 -2.50 116.42 117.29 1r39 h ASP 283 Ca 0.21 -0.06 0.05 0.00 0.42 0.00 0.00 57.03 57.65 1r39 h ASP 283 Cb 0.32 -0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.31 1r39 h ASP 283 CO -0.00 0.06 0.58 0.25 -2.88 0.00 0.00 179.24 177.25 1r39 h LEU 284 N -0.06 0.93 -1.38 2.28 5.85 -1.08 -1.84 115.31 120.02 1r39 h LEU 284 Ca 0.00 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1r39 h LEU 284 Cb 0.06 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1r39 h LEU 284 CO -0.00 0.61 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.60 1r39 h LEU 285 N 1.08 0.33 -0.93 2.25 3.38 -1.09 -0.68 115.31 119.65 1r39 h LEU 285 Ca 0.38 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 58.19 1r39 h LEU 285 Cb 0.11 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1r39 h LEU 285 CO -0.15 0.43 -0.43 -0.33 0.09 0.00 0.00 178.44 178.04 1r39 h GLU 286 N 0.34 0.22 0.00 1.13 5.08 -0.89 0.14 114.58 120.60 1r39 h GLU 286 Ca 0.08 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.21 1r39 h GLU 286 Cb 0.31 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1r39 h GLU 286 CO 0.01 0.61 -0.59 0.87 -1.00 0.00 0.00 179.01 178.92 1r39 h LYS 287 N 0.18 0.00 0.17 2.33 1.57 -0.90 -3.32 116.57 116.60 1r39 h LYS 287 Ca 0.01 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.45 1r39 h LYS 287 Cb 0.84 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.15 1r39 h LYS 287 CO 0.07 0.59 -1.75 0.52 -0.57 0.00 0.00 179.45 178.31 1r39 h MET 288 N 0.00 0.37 -3.26 3.15 2.86 -0.86 -2.49 114.93 114.70 1r39 h MET 288 Ca -0.01 -0.63 -0.78 0.00 -2.06 0.00 0.00 59.70 56.22 1r39 h MET 288 Cb 1.39 0.23 -0.21 0.00 0.06 0.00 0.00 31.60 33.07 1r39 h MET 288 CO 0.08 1.28 1.42 1.28 1.06 0.00 0.00 176.91 182.03 1r39 n LEU 289 N -3.56 6.51 -4.40 1.22 4.77 0.01 -4.40 117.00 117.14 1r39 n LEU 289 Ca -0.24 -4.91 -0.35 0.00 -0.03 0.00 0.00 56.01 50.48 1r39 n LEU 289 Cb 1.07 -1.39 -0.13 0.00 -2.33 0.00 0.00 43.42 40.64 1r39 n LEU 289 CO 0.51 1.51 -0.36 -0.69 -1.33 0.00 0.00 177.39 177.03 1r39 s VAL 290 N -1.07 3.68 0.18 4.08 1.01 -1.26 -4.87 120.40 122.15 1r39 s VAL 290 Ca 0.36 -0.41 -0.15 0.00 0.00 0.00 0.00 61.98 61.78 1r39 s VAL 290 Cb 0.07 -2.65 0.15 0.00 0.00 0.00 0.00 36.38 33.94 1r39 s VAL 290 CO 0.05 0.44 1.65 0.25 0.00 0.00 0.00 175.10 177.49 1r39 h LEU 291 N 7.54 -0.44 -8.88 3.92 5.85 -1.92 -3.37 115.31 118.02 1r39 h LEU 291 Ca -0.36 0.15 -0.57 0.00 0.84 0.00 0.00 57.88 57.94 1r39 h LEU 291 Cb 1.18 0.30 -0.06 0.00 0.37 0.00 0.00 40.66 42.45 1r39 h LEU 291 CO 0.60 -0.16 0.97 -0.62 -0.34 0.00 0.00 178.44 178.89 1r39 s ASP 292 N -5.23 6.63 0.51 1.25 -1.08 -1.26 -4.91 116.67 112.59 1r39 s ASP 292 Ca -0.14 0.97 0.18 0.00 -0.52 0.00 0.00 52.55 53.04 1r39 s ASP 292 Cb 0.16 -2.54 1.26 0.00 -1.46 0.00 0.00 42.92 40.35 1r39 s ASP 292 CO 0.72 -1.16 2.09 0.77 0.52 0.00 0.00 175.17 178.10 1r39 h SER 293 N 9.42 0.06 0.51 -0.34 4.64 -1.97 -0.95 113.55 124.92 1r39 h SER 293 Ca -0.25 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.05 1r39 h SER 293 Cb 1.09 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1r39 h SER 293 CO 1.06 0.04 -0.10 0.44 -0.87 0.00 0.00 176.83 177.40 1r39 h ASP 294 N 0.07 0.00 -0.25 4.97 3.32 -1.93 -2.74 116.42 119.86 1r39 h ASP 294 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1r39 h ASP 294 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1r39 h ASP 294 CO -0.01 0.10 0.00 0.29 -1.72 0.00 0.00 179.24 177.90 1r39 n LYS 295 N -3.43 2.39 -2.21 3.56 5.02 -0.37 -4.97 118.16 118.16 1r39 n LYS 295 Ca -0.01 -2.08 -0.35 0.00 -2.02 0.00 0.00 58.31 53.85 1r39 n LYS 295 Cb 0.25 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 1r39 n LYS 295 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1r39 s ARG 296 N -1.69 3.32 0.43 1.97 0.52 -1.04 -4.97 118.95 117.51 1r39 s ARG 296 Ca 0.35 1.54 -0.23 0.00 -0.52 0.00 0.00 55.73 56.87 1r39 s ARG 296 Cb 0.22 -2.01 -0.08 0.00 0.52 0.00 0.00 34.95 33.60 1r39 s ARG 296 CO 0.31 -0.86 1.10 -1.50 0.02 0.00 0.00 175.30 174.37 1r39 s ILE 297 N -1.90 3.44 0.50 1.52 2.07 -0.94 -5.03 121.20 120.85 1r39 s ILE 297 Ca 0.71 1.07 -0.05 0.00 -1.41 0.00 0.00 60.65 60.98 1r39 s ILE 297 Cb -0.22 -3.54 -0.02 0.00 0.13 0.00 0.00 42.46 38.80 1r39 s ILE 297 CO 0.29 -0.02 0.79 0.42 -1.91 0.00 0.00 174.94 174.51 1r39 s THR 298 N -1.63 4.56 0.18 4.00 -4.23 -1.26 -4.90 115.64 112.36 1r39 s THR 298 Ca 0.61 0.07 -0.13 0.00 -1.18 0.00 0.00 61.69 61.07 1r39 s THR 298 Cb -0.25 -3.74 0.09 0.00 1.34 0.00 0.00 72.50 69.95 1r39 s THR 298 CO 0.30 -0.71 1.74 0.00 -0.54 0.00 0.00 174.62 175.41 1r39 h ALA 299 N 0.17 0.59 -0.38 3.99 0.00 -1.93 0.32 119.26 122.02 1r39 h ALA 299 Ca -0.47 0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.54 1r39 h ALA 299 Cb 1.22 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1r39 h ALA 299 CO 0.61 -0.25 0.20 0.00 0.00 0.00 0.00 179.25 179.81 1r39 h ALA 300 N 1.34 0.47 -0.56 0.00 0.00 -1.94 -1.29 119.26 117.28 1r39 h ALA 300 Ca 0.24 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 1r39 h ALA 300 Cb 0.27 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1r39 h ALA 300 CO -0.26 -0.16 -0.01 1.96 0.00 0.00 0.00 179.25 180.78 1r39 h GLN 301 N 0.41 0.97 -0.55 0.00 4.20 -1.78 -3.01 115.11 115.35 1r39 h GLN 301 Ca 0.16 -0.30 -0.06 0.00 0.06 0.00 0.00 58.65 58.50 1r39 h GLN 301 Cb 0.05 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 1r39 h GLN 301 CO -0.10 0.97 0.09 0.00 -0.67 0.00 0.00 178.83 179.12 1r39 h ALA 302 N 1.09 1.12 -0.21 3.87 0.00 0.24 -2.42 119.26 122.94 1r39 h ALA 302 Ca 0.16 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1r39 h ALA 302 Cb 0.54 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1r39 h ALA 302 CO 0.03 0.58 0.15 -0.07 0.00 0.00 0.00 179.25 179.93 1r39 h LEU 303 N 0.83 0.13 -0.38 0.00 3.38 -1.12 -0.46 115.31 117.70 1r39 h LEU 303 Ca 0.17 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1r39 h LEU 303 Cb 0.37 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1r39 h LEU 303 CO 0.01 0.09 -0.04 0.00 0.09 0.00 0.00 178.44 178.59 1r39 n ALA 304 N -2.54 2.68 -1.77 1.53 0.00 -0.92 -4.73 120.51 114.75 1r39 n ALA 304 Ca 0.01 -0.30 -0.37 0.00 0.00 0.00 0.00 53.44 52.78 1r39 n ALA 304 Cb 0.18 -1.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.27 1r39 n ALA 304 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1r39 s HIS 305 N -2.16 2.92 0.63 0.00 5.04 -0.18 -4.92 115.29 116.63 1r39 s HIS 305 Ca 0.39 1.54 0.32 0.00 -1.54 0.00 0.00 55.06 55.76 1r39 s HIS 305 Cb 0.21 -3.39 1.76 0.00 0.04 0.00 0.00 32.58 31.20 1r39 s HIS 305 CO 0.39 -1.46 2.07 0.00 -2.34 0.00 0.00 174.74 173.40 1r39 h ALA 306 N 2.20 1.58 -0.32 1.58 0.00 -1.90 -1.77 119.26 120.63 1r39 h ALA 306 Ca -0.49 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.45 1r39 h ALA 306 Cb 1.24 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1r39 h ALA 306 CO 0.61 -0.31 0.21 -0.92 0.00 0.00 0.00 179.25 178.84 1r39 h TYR 307 N 0.00 0.27 -0.65 0.00 3.20 -1.91 -2.39 116.97 115.48 1r39 h TYR 307 Ca 0.06 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1r39 h TYR 307 Cb 0.55 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.73 1r39 h TYR 307 CO 0.00 0.16 0.00 1.19 -1.64 0.00 0.00 178.16 177.87 1r39 n PHE 308 N -4.49 1.49 -0.29 -3.82 3.72 -0.66 -4.64 117.46 108.76 1r39 n PHE 308 Ca 0.03 -0.61 0.19 0.00 -0.05 0.00 0.00 57.45 57.01 1r39 n PHE 308 Cb 0.19 -0.24 0.48 0.00 -0.94 0.00 0.00 39.48 38.96 1r39 n PHE 308 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1r39 h ALA 309 N 4.10 2.13 0.00 4.37 0.00 -1.53 0.30 119.26 128.63 1r39 h ALA 309 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1r39 h ALA 309 Cb 1.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1r39 h ALA 309 CO 0.23 -0.47 0.00 0.37 0.00 0.00 0.00 179.25 179.38 1r39 h GLN 310 N 0.46 0.00 0.00 0.00 4.15 -1.84 -3.33 115.11 114.56 1r39 h GLN 310 Ca 0.53 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.91 1r39 h GLN 310 Cb 1.25 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.93 1r39 h GLN 310 CO -0.25 0.00 -1.17 0.66 -1.93 0.00 0.00 178.83 176.14 1r39 n TYR 311 N -2.56 0.00 -1.64 3.99 4.01 0.32 -5.05 117.16 116.23 1r39 n TYR 311 Ca 0.02 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.29 1r39 n TYR 311 Cb 0.28 -0.12 -0.04 0.00 -0.31 0.00 0.00 39.34 39.16 1r39 n TYR 311 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 1r39 n HIS 312 N -2.02 1.95 -3.29 -0.72 -0.00 0.79 -4.98 115.22 106.96 1r39 n HIS 312 Ca -0.04 0.47 -0.08 0.00 0.46 0.00 0.00 57.72 58.53 1r39 n HIS 312 Cb 0.51 -2.43 -0.05 0.00 -0.12 0.00 0.00 29.99 27.90 1r39 n HIS 312 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 1r39 s ASP 313 N 0.37 0.04 0.28 0.26 -1.08 -1.26 -4.98 116.67 110.30 1r39 s ASP 313 Ca 0.73 -0.72 0.14 0.00 -0.52 0.00 0.00 52.55 52.18 1r39 s ASP 313 Cb -0.72 1.21 0.78 0.00 -1.46 0.00 0.00 42.92 42.73 1r39 s ASP 313 CO 0.47 -0.29 1.37 -0.81 0.52 0.00 0.00 175.17 176.43 1r39 n PRO 314 N 4.89 0.10 0.00 4.34 -0.04 -1.26 -0.37 135.00 142.66 1r39 n PRO 314 Ca 0.06 0.57 0.12 0.00 -0.04 0.00 0.00 63.50 64.21 1r39 n PRO 314 Cb 0.50 -1.99 0.17 0.00 -0.04 0.00 0.00 33.50 32.14 1r39 n PRO 314 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1r39 n ASP 315 N -2.04 2.00 -2.35 3.54 8.00 -1.26 -4.24 116.55 120.20 1r39 n ASP 315 Ca -0.01 -1.51 -0.11 0.00 0.71 0.00 0.00 54.79 53.87 1r39 n ASP 315 Cb 0.20 0.22 0.04 0.00 -0.02 0.00 0.00 41.12 41.56 1r39 n ASP 315 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1r39 n ASP 316 N 0.22 3.17 -3.22 -2.24 2.03 0.50 -4.86 116.55 112.15 1r39 n ASP 316 Ca 0.12 -2.90 -0.24 0.00 0.52 0.00 0.00 54.79 52.29 1r39 n ASP 316 Cb 0.46 -0.41 -0.07 0.00 -0.72 0.00 0.00 41.12 40.38 1r39 n ASP 316 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1r39 n GLU 317 N -0.64 0.63 -1.08 -0.67 1.02 -1.22 -4.92 120.64 113.76 1r39 n GLU 317 Ca 0.25 -3.21 -0.32 0.00 -0.02 0.00 0.00 57.16 53.86 1r39 n GLU 317 Cb 0.89 -1.28 0.13 0.00 -0.02 0.00 0.00 31.44 31.15 1r39 n GLU 317 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1r39 s PRO 318 N -0.99 1.65 0.44 3.49 0.04 -1.26 -4.97 135.00 133.41 1r39 s PRO 318 Ca 0.35 1.58 0.07 0.00 0.04 0.00 0.00 61.00 63.03 1r39 s PRO 318 Cb 0.15 -1.80 -0.03 0.00 0.04 0.00 0.00 34.50 32.87 1r39 s PRO 318 CO -0.12 -2.17 0.25 0.14 0.04 0.00 0.00 177.00 175.14 1r39 s VAL 319 N -2.42 2.20 0.40 -0.36 -7.23 -1.26 -4.03 120.40 107.70 1r39 s VAL 319 Ca 0.69 -1.61 0.08 0.00 -1.81 0.00 0.00 61.98 59.32 1r39 s VAL 319 Cb -0.24 -2.81 -0.02 0.00 0.56 0.00 0.00 36.38 33.87 1r39 s VAL 319 CO 0.52 0.00 0.39 0.00 -0.31 0.00 0.00 175.10 175.71 1r39 s ALA 320 N -2.62 4.10 0.60 1.32 0.00 -1.25 -5.00 121.76 118.91 1r39 s ALA 320 Ca 0.39 -1.81 -0.13 0.00 0.00 0.00 0.00 51.96 50.41 1r39 s ALA 320 Cb 0.01 -1.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.95 1r39 s ALA 320 CO 0.22 -0.19 1.02 -0.51 0.00 0.00 0.00 175.76 176.30 1r39 s ASP 321 N -4.14 6.21 0.49 0.00 1.01 -1.26 -4.62 116.67 114.36 1r39 s ASP 321 Ca 0.48 1.50 -0.24 0.00 0.71 0.00 0.00 52.55 55.00 1r39 s ASP 321 Cb -0.05 -2.49 -0.07 0.00 1.01 0.00 0.00 42.92 41.33 1r39 s ASP 321 CO 0.28 -0.88 1.41 -2.65 0.21 0.00 0.00 175.17 173.54 1r39 n PRO 322 N -2.47 2.02 -3.96 8.23 -0.02 -1.26 -4.61 135.00 132.92 1r39 n PRO 322 Ca 0.06 0.73 -0.35 0.00 -2.02 0.00 0.00 63.50 61.92 1r39 n PRO 322 Cb 0.54 -2.61 -0.13 0.00 -0.02 0.00 0.00 33.50 31.28 1r39 n PRO 322 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1r39 s TYR 323 N -1.23 3.03 -0.47 6.00 5.04 -1.24 -5.07 117.35 123.41 1r39 s TYR 323 Ca 0.66 -0.58 -0.20 0.00 -2.44 0.00 0.00 57.07 54.51 1r39 s TYR 323 Cb -0.43 -2.12 0.04 0.00 0.35 0.00 0.00 41.96 39.79 1r39 s TYR 323 CO 0.54 -0.35 0.63 0.34 -1.34 0.00 0.00 175.55 175.38 1r39 s ASP 324 N 1.26 6.28 -0.29 4.32 -1.08 -1.26 -4.91 116.67 120.98 1r39 s ASP 324 Ca 0.04 -0.57 0.10 0.00 -0.52 0.00 0.00 52.55 51.59 1r39 s ASP 324 Cb -0.15 -2.31 0.54 0.00 -1.46 0.00 0.00 42.92 39.55 1r39 s ASP 324 CO 0.01 -0.82 1.53 0.00 0.52 0.00 0.00 175.17 176.40 1r39 n GLN 325 N 6.24 2.14 0.29 4.34 10.64 -1.26 -4.59 117.38 135.17 1r39 n GLN 325 Ca -0.04 -3.10 0.15 0.00 -1.83 0.00 0.00 57.00 52.18 1r39 n GLN 325 Cb 0.47 -1.88 0.85 0.00 -0.86 0.00 0.00 30.24 28.82 1r39 n GLN 325 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1r39 h SER 326 N 1.19 0.00 0.40 2.61 4.64 -2.01 -1.06 113.55 119.32 1r39 h SER 326 Ca 0.24 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.54 1r39 h SER 326 Cb 1.81 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.89 1r39 h SER 326 CO 0.47 0.06 -0.08 2.19 -0.87 0.00 0.00 176.83 178.60 1r39 h PHE 327 N 0.00 0.00 -0.51 4.77 -0.00 -1.97 -2.84 116.94 116.38 1r39 h PHE 327 Ca -0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.97 58.02 1r39 h PHE 327 Cb 0.23 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 36.15 1r39 h PHE 327 CO 0.00 0.08 0.34 0.93 -0.00 0.00 0.00 178.31 179.66 1r39 h GLU 328 N 0.00 0.48 -0.99 6.09 4.39 -1.56 -1.60 114.58 121.39 1r39 h GLU 328 Ca -0.00 -0.03 -0.56 0.00 0.34 0.00 0.00 59.36 59.11 1r39 h GLU 328 Cb 0.30 -0.11 -0.30 0.00 -0.10 0.00 0.00 28.75 28.54 1r39 h GLU 328 CO 0.01 0.32 0.71 -1.13 -1.16 0.00 0.00 179.01 177.76 1r39 n SER 329 N -4.47 4.73 -4.39 1.42 3.41 -1.07 -4.92 113.62 108.33 1r39 n SER 329 Ca 0.07 -3.66 -0.33 0.00 -0.26 0.00 0.00 58.87 54.69 1r39 n SER 329 Cb 0.21 -0.87 -0.14 0.00 -0.26 0.00 0.00 64.21 63.14 1r39 n SER 329 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1r39 s ARG 330 N -3.43 3.03 -0.32 4.33 3.52 -0.60 -5.09 118.95 120.38 1r39 s ARG 330 Ca 0.59 -0.72 -0.10 0.00 -0.13 0.00 0.00 55.73 55.38 1r39 s ARG 330 Cb 0.49 -2.50 0.00 0.00 -1.56 0.00 0.00 34.95 31.38 1r39 s ARG 330 CO 0.08 0.35 0.16 -0.51 -0.81 0.00 0.00 175.30 174.57 1r39 s ASP 331 N -0.03 5.55 0.28 -2.12 1.01 -1.26 -5.06 116.67 115.05 1r39 s ASP 331 Ca -0.04 -0.63 0.03 0.00 0.71 0.00 0.00 52.55 52.62 1r39 s ASP 331 Cb -0.14 -1.99 -0.06 0.00 1.01 0.00 0.00 42.92 41.74 1r39 s ASP 331 CO 0.04 -0.23 0.06 -0.76 0.21 0.00 0.00 175.17 174.49 1r39 s LEU 332 N 1.59 1.98 0.80 1.23 1.43 -1.26 -5.15 118.68 119.30 1r39 s LEU 332 Ca 0.04 -1.35 -0.11 0.00 -1.03 0.00 0.00 54.13 51.68 1r39 s LEU 332 Cb -0.17 -0.21 0.09 0.00 0.03 0.00 0.00 46.19 45.92 1r39 s LEU 332 CO 0.06 -0.63 1.16 -0.76 0.23 0.00 0.00 176.35 176.40 1r39 s LEU 333 N -3.39 2.59 0.12 1.79 1.43 -1.26 -4.90 118.68 115.05 1r39 s LEU 333 Ca 0.35 0.66 -0.18 0.00 -1.03 0.00 0.00 54.13 53.94 1r39 s LEU 333 Cb 0.08 -3.15 -0.04 0.00 0.03 0.00 0.00 46.19 43.11 1r39 s LEU 333 CO 0.14 -1.91 1.67 0.40 0.23 0.00 0.00 176.35 176.88 1r39 h ILE 334 N -1.01 1.17 0.00 -0.59 2.04 -1.92 -2.21 117.51 114.99 1r39 h ILE 334 Ca -0.45 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 64.88 1r39 h ILE 334 Cb 1.32 0.92 -0.00 0.00 -0.74 0.00 0.00 36.82 38.32 1r39 h ILE 334 CO 0.62 0.18 -0.08 0.44 0.00 0.00 0.00 178.15 179.32 1r39 h ASP 335 N 0.37 0.00 0.36 1.72 3.32 -1.95 -0.92 116.42 119.31 1r39 h ASP 335 Ca 0.11 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.85 1r39 h ASP 335 Cb 0.16 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.73 1r39 h ASP 335 CO -0.01 0.08 -1.34 -0.33 -1.72 0.00 0.00 179.24 175.91 1r39 h GLU 336 N 0.00 0.47 -0.30 3.56 5.08 -1.85 -2.57 114.58 118.97 1r39 h GLU 336 Ca -0.00 -0.75 -0.07 0.00 -1.00 0.00 0.00 59.36 57.54 1r39 h GLU 336 Cb 0.18 0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1r39 h GLU 336 CO 0.01 1.35 -0.13 -1.49 -1.00 0.00 0.00 179.01 177.75 1r39 h TRP 337 N 0.15 0.55 -0.51 4.33 4.06 -0.86 -1.87 115.95 121.81 1r39 h TRP 337 Ca -0.20 -0.09 -0.10 0.00 2.06 0.00 0.00 58.89 60.57 1r39 h TRP 337 Cb 2.04 -0.15 -0.02 0.00 -1.00 0.00 0.00 29.16 30.04 1r39 h TRP 337 CO 0.10 0.62 -0.06 -0.22 -3.56 0.00 0.00 178.44 175.33 1r39 h LYS 338 N 0.47 0.93 -0.30 0.49 3.64 -1.19 -0.49 116.57 120.13 1r39 h LYS 338 Ca 0.09 -0.33 -0.03 0.00 -1.27 0.00 0.00 60.65 59.11 1r39 h LYS 338 Cb 0.51 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 1r39 h LYS 338 CO 0.03 0.98 0.06 1.03 -2.27 0.00 0.00 179.45 179.28 1r39 h SER 339 N 0.79 0.46 -0.38 4.20 0.87 -1.15 0.19 113.55 118.53 1r39 h SER 339 Ca 0.14 -0.25 0.03 0.00 -1.23 0.00 0.00 61.79 60.48 1r39 h SER 339 Cb 0.60 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.40 1r39 h SER 339 CO 0.04 0.59 0.18 -0.07 -0.53 0.00 0.00 176.83 177.04 1r39 h LEU 340 N 0.32 0.25 -0.25 2.23 3.38 -1.24 0.12 115.31 120.12 1r39 h LEU 340 Ca 0.09 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.11 1r39 h LEU 340 Cb 0.31 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1r39 h LEU 340 CO 0.00 0.19 0.08 0.74 0.09 0.00 0.00 178.44 179.55 1r39 h THR 341 N 0.37 0.93 -0.70 0.22 2.02 -0.74 -1.08 112.91 113.93 1r39 h THR 341 Ca 0.16 -0.07 0.07 0.00 0.77 0.00 0.00 66.41 67.35 1r39 h THR 341 Cb 0.09 0.71 -0.06 0.00 -1.74 0.00 0.00 68.15 67.15 1r39 h THR 341 CO -0.12 0.04 0.38 0.22 0.37 0.00 0.00 175.52 176.40 1r39 h TYR 342 N 0.20 0.68 -0.79 3.16 3.20 0.14 -1.08 116.97 122.49 1r39 h TYR 342 Ca 0.11 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 1r39 h TYR 342 Cb 0.08 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.11 1r39 h TYR 342 CO -0.13 0.30 0.49 -0.44 -1.64 0.00 0.00 178.16 176.73 1r39 h ASP 343 N 0.67 0.93 -0.03 -2.11 5.19 -0.23 -2.38 116.42 118.46 1r39 h ASP 343 Ca 0.33 -0.05 -0.07 0.00 -0.62 0.00 0.00 57.03 56.61 1r39 h ASP 343 Cb 0.27 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.53 1r39 h ASP 343 CO -0.22 0.71 -0.17 -0.33 -3.12 0.00 0.00 179.24 176.11 1r39 h GLU 344 N 1.07 0.37 0.55 3.56 4.39 -0.01 -2.27 114.58 122.25 1r39 h GLU 344 Ca 0.28 -0.11 -0.03 0.00 0.34 0.00 0.00 59.36 59.85 1r39 h GLU 344 Cb -0.06 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 28.55 1r39 h GLU 344 CO -0.06 0.54 -0.27 0.28 -1.16 0.00 0.00 179.01 178.35 1r39 h VAL 345 N 0.34 0.00 0.00 3.13 2.07 -0.81 -3.06 116.25 117.92 1r39 h VAL 345 Ca 0.06 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1r39 h VAL 345 Cb 0.51 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1r39 h VAL 345 CO 0.03 0.00 0.00 0.16 0.02 0.00 0.00 177.57 177.78 1r39 h ILE 346 N -1.11 0.00 -0.50 4.57 3.07 -1.48 -1.02 117.51 121.03 1r39 h ILE 346 Ca -0.08 -0.10 0.00 0.00 1.55 0.00 0.00 64.86 66.24 1r39 h ILE 346 Cb 0.57 0.79 0.00 0.00 -0.27 0.00 0.00 36.82 37.91 1r39 h ILE 346 CO 0.12 0.00 0.00 -1.54 -1.05 0.00 0.00 178.15 175.68 1r39 n SER 347 N -2.52 3.53 -4.74 2.16 3.41 -0.85 -4.96 113.62 109.65 1r39 n SER 347 Ca -0.01 -1.99 -0.41 0.00 -0.26 0.00 0.00 58.87 56.20 1r39 n SER 347 Cb 0.11 -0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 63.70 1r39 n SER 347 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1r39 s PHE 348 N -1.35 3.15 -0.20 7.33 5.36 -0.39 -5.02 117.98 126.87 1r39 s PHE 348 Ca 0.42 1.18 0.00 0.00 -0.96 0.00 0.00 56.93 57.57 1r39 s PHE 348 Cb 0.23 -3.69 0.02 0.00 -0.34 0.00 0.00 43.02 39.25 1r39 s PHE 348 CO 0.32 -2.15 -0.15 0.08 -1.46 0.00 0.00 175.22 171.86 1r39 s VAL 349 N -0.10 2.36 0.56 3.12 1.01 -1.26 -5.08 120.40 121.00 1r39 s VAL 349 Ca 0.56 -0.92 -0.21 0.00 0.00 0.00 0.00 61.98 61.41 1r39 s VAL 349 Cb -0.39 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 1r39 s VAL 349 CO 0.42 0.45 1.22 -2.65 0.00 0.00 0.00 175.10 174.53 1r39 n PRO 350 N 4.64 1.40 0.00 2.72 -0.02 -1.26 -5.09 135.00 137.39 1r39 n PRO 350 Ca -0.20 0.52 0.15 0.00 -2.02 0.00 0.00 63.50 61.96 1r39 n PRO 350 Cb 0.49 -2.41 0.90 0.00 -0.02 0.00 0.00 33.50 32.46 1r39 n PRO 350 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13