#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h7q s ALA 0 N 0.00 3.49 0.08 4.61 0.00 -1.26 -5.01 121.76 123.67 3h7q s ALA 0 Ca 0.00 -0.07 0.02 0.00 0.00 0.00 0.00 51.96 51.91 3h7q s ALA 0 Cb 0.00 -3.68 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 3h7q s ALA 0 CO 0.00 -1.51 -0.08 -1.64 0.00 0.00 0.00 175.76 172.54 3h7q s MET 1 N 3.67 0.74 0.08 0.00 1.00 -1.26 -4.47 119.30 119.06 3h7q s MET 1 Ca 0.45 -1.11 0.09 0.00 0.00 0.00 0.00 55.69 55.11 3h7q s MET 1 Cb -0.12 -0.29 -0.03 0.00 0.00 0.00 0.00 34.83 34.39 3h7q s MET 1 CO 0.16 0.02 -0.23 0.20 0.00 0.00 0.00 175.02 175.17 3h7q s GLY 2 N -2.46 1.29 0.07 -0.03 0.00 -0.05 -4.96 107.32 101.18 3h7q s GLY 2 Ca 0.04 -1.23 -0.30 0.00 0.00 0.00 0.00 44.72 43.22 3h7q s GLY 2 CO -0.02 -1.19 0.99 -0.42 0.00 0.00 0.00 173.10 172.46 3h7q s ILE 3 N -0.98 4.57 -0.09 0.90 1.01 -1.26 -1.03 121.20 124.33 3h7q s ILE 3 Ca 0.09 2.00 0.16 0.00 0.00 0.00 0.00 60.65 62.90 3h7q s ILE 3 Cb -0.10 -4.28 -0.24 0.00 0.01 0.00 0.00 42.46 37.85 3h7q s ILE 3 CO 0.03 0.24 0.24 0.52 0.00 0.00 0.00 174.94 175.97 3h7q n VAL 4 N 3.26 0.52 -3.59 2.92 0.31 0.16 -4.92 118.33 116.99 3h7q n VAL 4 Ca 0.04 -0.54 -0.06 0.00 -0.01 0.00 0.00 64.34 63.77 3h7q n VAL 4 Cb 0.49 -0.21 -0.03 0.00 -0.91 0.00 0.00 33.84 33.18 3h7q n VAL 4 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3h7q s GLY 5 N -4.49 -0.22 0.03 2.92 0.00 -1.15 -4.62 107.32 99.79 3h7q s GLY 5 Ca -0.07 1.92 0.01 0.00 0.00 0.00 0.00 44.72 46.58 3h7q s GLY 5 CO 0.71 0.78 -0.05 0.14 0.00 0.00 0.00 173.10 174.67 3h7q s VAL 6 N -1.82 0.34 -0.17 1.40 1.01 -1.26 -0.85 120.40 119.05 3h7q s VAL 6 Ca 0.06 -0.92 -0.13 0.00 0.00 0.00 0.00 61.98 60.98 3h7q s VAL 6 Cb -0.01 -0.43 0.05 0.00 0.00 0.00 0.00 36.38 35.99 3h7q s VAL 6 CO -0.04 -0.39 0.44 -0.83 0.00 0.00 0.00 175.10 174.28 3h7q s GLY 7 N -1.39 -0.34 0.03 4.51 0.00 -0.24 -3.56 107.32 106.33 3h7q s GLY 7 Ca -0.11 1.39 0.04 0.00 0.00 0.00 0.00 44.72 46.04 3h7q s GLY 7 CO -0.00 1.35 -0.13 -1.50 0.00 0.00 0.00 173.10 172.82 3h7q s ILE 8 N 0.74 1.05 -0.09 0.90 2.07 -1.26 -0.69 121.20 123.92 3h7q s ILE 8 Ca -0.04 -0.89 -0.06 0.00 -1.41 0.00 0.00 60.65 58.25 3h7q s ILE 8 Cb -0.05 -0.94 0.03 0.00 0.13 0.00 0.00 42.46 41.63 3h7q s ILE 8 CO -0.05 0.05 0.23 -0.62 -1.91 0.00 0.00 174.94 172.64 3h7q s ASP 9 N -0.95 -0.24 -0.07 4.50 2.15 -0.39 -4.77 116.67 116.91 3h7q s ASP 9 Ca 0.02 0.47 0.03 0.00 0.43 0.00 0.00 52.55 53.50 3h7q s ASP 9 Cb -0.07 0.42 -0.02 0.00 -0.30 0.00 0.00 42.92 42.95 3h7q s ASP 9 CO 0.01 -0.12 -0.14 -0.22 -0.17 0.00 0.00 175.17 174.53 3h7q s LEU 10 N 0.64 2.72 -0.20 -1.34 2.96 -1.26 -1.49 118.68 120.71 3h7q s LEU 10 Ca -0.04 -0.23 -0.02 0.00 -0.22 0.00 0.00 54.13 53.62 3h7q s LEU 10 Cb -0.06 -1.56 0.06 0.00 0.50 0.00 0.00 46.19 45.13 3h7q s LEU 10 CO -0.04 0.30 0.01 -0.69 -1.32 0.00 0.00 176.35 174.62 3h7q s VAL 11 N -0.47 0.78 -0.03 1.68 1.01 0.14 -4.99 120.40 118.51 3h7q s VAL 11 Ca 0.06 -0.72 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 3h7q s VAL 11 Cb -0.12 -1.22 -0.08 0.00 0.00 0.00 0.00 36.38 34.96 3h7q s VAL 11 CO 0.02 -0.18 2.00 -0.55 0.00 0.00 0.00 175.10 176.39 3h7q s SER 12 N 1.74 6.24 0.13 3.32 0.15 -1.26 -1.45 113.70 122.56 3h7q s SER 12 Ca -0.02 2.45 -0.15 0.00 0.70 0.00 0.00 55.95 58.93 3h7q s SER 12 Cb -0.17 -2.53 -0.02 0.00 -1.71 0.00 0.00 66.02 61.59 3h7q s SER 12 CO -0.07 -1.26 1.59 0.40 1.20 0.00 0.00 173.24 175.10 3h7q h ILE 13 N 5.98 1.25 -0.96 6.45 2.04 -1.34 -0.42 117.51 130.53 3h7q h ILE 13 Ca -0.47 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 64.45 3h7q h ILE 13 Cb 1.23 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 38.34 3h7q h ILE 13 CO 0.95 0.32 0.61 -0.65 0.00 0.00 0.00 178.15 179.38 3h7q h PRO 14 N 0.54 1.27 -0.29 2.37 0.11 -1.87 0.23 132.00 134.37 3h7q h PRO 14 Ca 0.12 -0.09 -0.11 0.00 0.11 0.00 0.00 66.00 66.03 3h7q h PRO 14 Cb 0.43 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 3h7q h PRO 14 CO 0.01 0.86 -0.29 -0.44 -0.21 0.00 0.00 178.00 177.93 3h7q h ASP 15 N 1.30 0.60 -0.40 -2.05 5.19 -1.90 -2.89 116.42 116.27 3h7q h ASP 15 Ca 0.35 -0.23 -0.02 0.00 -0.62 0.00 0.00 57.03 56.51 3h7q h ASP 15 Cb -0.12 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.21 3h7q h ASP 15 CO -0.07 0.87 0.19 0.15 -3.12 0.00 0.00 179.24 177.26 3h7q h PHE 16 N 0.51 0.58 -0.32 4.55 3.57 -0.43 -2.44 116.94 122.96 3h7q h PHE 16 Ca 0.06 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 3h7q h PHE 16 Cb 0.77 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 3h7q h PHE 16 CO 0.03 0.49 0.09 0.00 -2.23 0.00 0.00 178.31 176.69 3h7q h ALA 17 N 1.04 1.56 -0.22 2.41 0.00 -0.85 0.61 119.26 123.80 3h7q h ALA 17 Ca 0.14 -0.12 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 3h7q h ALA 17 Cb 0.12 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.78 3h7q h ALA 17 CO -0.02 0.34 -0.67 0.93 0.00 0.00 0.00 179.25 179.83 3h7q h GLU 18 N 0.46 0.82 0.00 0.00 4.39 -1.35 -3.36 114.58 115.54 3h7q h GLU 18 Ca 0.11 -0.60 -0.18 0.00 0.34 0.00 0.00 59.36 59.04 3h7q h GLU 18 Cb 0.16 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 3h7q h GLU 18 CO -0.01 1.22 -1.42 1.96 -1.16 0.00 0.00 179.01 179.60 3h7q h GLN 19 N 0.60 0.00 -0.64 2.33 4.20 -0.97 -3.40 115.11 117.22 3h7q h GLN 19 Ca -0.02 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 3h7q h GLN 19 Cb 1.28 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.03 3h7q h GLN 19 CO 0.14 0.31 0.39 -0.24 -0.67 0.00 0.00 178.83 178.76 3h7q h VAL 20 N 0.00 1.19 -1.07 -0.54 3.04 -1.03 -3.28 116.25 114.55 3h7q h VAL 20 Ca -0.17 -0.41 -0.72 0.00 -1.01 0.00 0.00 66.70 64.38 3h7q h VAL 20 Cb 1.62 0.30 -0.11 0.00 -2.01 0.00 0.00 31.29 31.09 3h7q h VAL 20 CO 0.05 0.19 2.22 -0.67 -1.01 0.00 0.00 177.57 178.35 3h7q n ASP 21 N -4.59 4.76 -3.89 3.17 2.03 -1.26 -4.62 116.55 112.14 3h7q n ASP 21 Ca 0.05 -2.97 -0.22 0.00 0.52 0.00 0.00 54.79 52.17 3h7q n ASP 21 Cb 0.05 -1.60 -0.17 0.00 -0.72 0.00 0.00 41.12 38.69 3h7q n ASP 21 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 3h7q s GLN 22 N 2.17 0.99 0.54 -0.67 -0.21 -1.24 -5.08 119.66 116.16 3h7q s GLN 22 Ca 0.45 -0.13 -0.21 0.00 0.02 0.00 0.00 55.36 55.49 3h7q s GLN 22 Cb 0.07 -1.01 -0.05 0.00 1.00 0.00 0.00 33.01 33.02 3h7q s GLN 22 CO -0.01 -0.12 1.25 -2.14 -2.12 0.00 0.00 175.29 172.15 3h7q s PRO 23 N 1.12 3.25 -0.09 2.91 0.02 -1.26 -3.32 135.00 137.63 3h7q s PRO 23 Ca -0.08 1.96 0.00 0.00 0.02 0.00 0.00 61.00 62.90 3h7q s PRO 23 Cb -0.14 -2.18 0.00 0.00 0.02 0.00 0.00 34.50 32.20 3h7q s PRO 23 CO -0.01 -1.02 0.00 0.41 -0.33 0.00 0.00 177.00 176.05 3h7q n GLY 24 N 0.57 0.28 3.99 0.52 0.00 -1.26 -5.00 105.19 104.30 3h7q n GLY 24 Ca 0.11 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 3h7q n GLY 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h7q s THR 25 N -1.48 2.68 0.49 2.61 -4.23 -1.21 -4.95 115.64 109.55 3h7q s THR 25 Ca 0.00 -0.77 0.14 0.00 -1.18 0.00 0.00 61.69 59.88 3h7q s THR 25 Cb 0.00 -2.91 0.26 0.00 1.34 0.00 0.00 72.50 71.19 3h7q s THR 25 CO 0.00 0.00 2.12 1.62 -0.54 0.00 0.00 174.62 177.82 3h7q h VAL 26 N 0.19 1.03 -0.38 2.29 3.04 -1.94 -0.91 116.25 119.56 3h7q h VAL 26 Ca -0.40 -0.09 0.04 0.00 -1.01 0.00 0.00 66.70 65.24 3h7q h VAL 26 Cb 1.29 0.92 -0.04 0.00 -2.01 0.00 0.00 31.29 31.45 3h7q h VAL 26 CO 0.48 0.03 0.16 -0.26 -1.01 0.00 0.00 177.57 176.98 3h7q h PHE 27 N 0.12 0.28 0.00 3.17 0.04 -1.88 -2.16 116.94 116.50 3h7q h PHE 27 Ca 0.03 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.80 3h7q h PHE 27 Cb 0.01 -0.07 -0.00 0.00 2.20 0.00 0.00 35.95 38.09 3h7q h PHE 27 CO 0.00 0.13 -0.07 0.00 -0.60 0.00 0.00 178.31 177.77 3h7q h ALA 28 N 1.23 1.34 -0.00 2.45 0.00 -1.36 0.10 119.26 123.01 3h7q h ALA 28 Ca 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3h7q h ALA 28 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3h7q h ALA 28 CO -0.15 0.09 -0.35 0.39 0.00 0.00 0.00 179.25 179.23 3h7q n GLU 29 N -3.66 0.03 -0.06 0.00 1.02 -0.86 -4.32 120.64 112.79 3h7q n GLU 29 Ca -0.02 -0.01 -0.08 0.00 -0.02 0.00 0.00 57.16 57.02 3h7q n GLU 29 Cb 0.18 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.05 3h7q n GLU 29 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3h7q n THR 30 N -1.47 0.67 -4.55 2.62 -1.04 -0.27 -4.95 114.28 105.29 3h7q n THR 30 Ca 0.06 -0.26 -0.30 0.00 -2.04 0.00 0.00 64.05 61.52 3h7q n THR 30 Cb 0.34 -0.92 -0.13 0.00 -1.82 0.00 0.00 70.33 67.80 3h7q n THR 30 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 3h7q s PHE 31 N -2.23 2.45 0.66 -1.42 0.08 0.20 -5.10 117.98 112.61 3h7q s PHE 31 Ca -0.16 -0.32 -0.16 0.00 0.12 0.00 0.00 56.93 56.42 3h7q s PHE 31 Cb 0.04 -1.37 0.00 0.00 -0.57 0.00 0.00 43.02 41.12 3h7q s PHE 31 CO 0.27 0.28 1.15 0.95 -0.10 0.00 0.00 175.22 177.77 3h7q s THR 32 N -0.99 2.93 0.29 0.64 -4.23 -1.26 -4.57 115.64 108.44 3h7q s THR 32 Ca 0.15 0.47 0.03 0.00 -1.18 0.00 0.00 61.69 61.15 3h7q s THR 32 Cb -0.10 -3.02 0.28 0.00 1.34 0.00 0.00 72.50 71.00 3h7q s THR 32 CO 0.06 -0.23 1.70 -0.65 -0.54 0.00 0.00 174.62 174.96 3h7q h PRO 33 N 0.15 0.40 -0.45 3.99 0.11 -1.97 -0.72 132.00 133.52 3h7q h PRO 33 Ca -0.48 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 3h7q h PRO 33 Cb 1.27 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 3h7q h PRO 33 CO 0.53 0.26 0.09 0.78 -0.21 0.00 0.00 178.00 179.46 3h7q h GLY 34 N 0.41 0.79 1.14 -0.55 0.00 -2.00 -1.44 103.07 101.42 3h7q h GLY 34 Ca 0.55 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 3h7q h GLY 34 CO -0.52 0.48 0.51 0.83 0.00 0.00 0.00 176.54 177.84 3h7q h GLU 35 N 0.61 1.15 -0.02 4.80 5.08 -1.64 -2.07 114.58 122.48 3h7q h GLU 35 Ca 0.14 -0.10 -0.19 0.00 -1.00 0.00 0.00 59.36 58.21 3h7q h GLU 35 Cb 0.35 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3h7q h GLU 35 CO 0.01 0.80 -0.81 0.00 -1.00 0.00 0.00 179.01 178.01 3h7q h ARG 36 N 1.17 0.26 0.02 2.33 3.08 -0.89 -1.44 114.38 118.91 3h7q h ARG 36 Ca 0.30 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 3h7q h ARG 36 Cb -0.05 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3h7q h ARG 36 CO -0.06 0.94 -0.01 0.00 -1.07 0.00 0.00 179.97 179.77 3h7q h ARG 37 N 0.16 -0.03 -0.28 0.04 3.08 -1.14 -2.05 114.38 114.16 3h7q h ARG 37 Ca -0.04 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.08 3h7q h ARG 37 Cb 1.41 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 31.39 3h7q h ARG 37 CO 0.13 0.35 -0.28 -0.44 -1.07 0.00 0.00 179.97 178.66 3h7q h ASP 38 N -0.42 -0.90 0.48 7.04 3.32 -1.38 -1.03 116.42 123.53 3h7q h ASP 38 Ca -0.00 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3h7q h ASP 38 Cb 0.39 0.42 0.00 0.00 0.22 0.00 0.00 39.33 40.36 3h7q h ASP 38 CO 0.01 -0.30 0.00 0.00 -1.72 0.00 0.00 179.24 177.22 3h7q n ALA 39 N -2.88 1.45 0.24 3.45 0.00 -0.55 -2.08 120.51 120.15 3h7q n ALA 39 Ca -0.00 0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.67 3h7q n ALA 39 Cb 0.31 -1.35 0.60 0.00 0.00 0.00 0.00 19.45 19.01 3h7q n ALA 39 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3h7q h SER 40 N 0.00 0.00 -3.18 0.00 0.87 -0.42 -3.38 113.55 107.44 3h7q h SER 40 Ca 0.00 0.00 -0.70 0.00 -1.23 0.00 0.00 61.79 59.86 3h7q h SER 40 Cb 0.24 0.00 -0.19 0.00 -0.44 0.00 0.00 62.40 62.00 3h7q h SER 40 CO 0.00 0.00 -0.01 -0.62 -0.53 0.00 0.00 176.83 175.67 3h7q s ASP 41 N -4.19 6.20 0.59 6.23 2.15 -0.88 -4.67 116.67 122.10 3h7q s ASP 41 Ca -0.01 -1.13 0.33 0.00 0.43 0.00 0.00 52.55 52.18 3h7q s ASP 41 Cb 0.07 -2.27 1.88 0.00 -0.30 0.00 0.00 42.92 42.31 3h7q s ASP 41 CO 0.27 -0.89 2.24 0.07 -0.17 0.00 0.00 175.17 176.69 3h7q h LYS 42 N 8.99 0.00 -0.15 4.34 2.10 -1.89 -1.19 116.57 128.77 3h7q h LYS 42 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 3h7q h LYS 42 Cb 1.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 3h7q h LYS 42 CO 0.98 0.02 0.00 -1.13 -2.00 0.00 0.00 179.45 177.32 3h7q n SER 43 N -3.61 1.80 -4.89 7.07 3.41 -1.26 -4.79 113.62 111.35 3h7q n SER 43 Ca -0.03 -1.70 -0.29 0.00 -0.26 0.00 0.00 58.87 56.59 3h7q n SER 43 Cb 0.12 -0.09 0.04 0.00 -0.26 0.00 0.00 64.21 64.01 3h7q n SER 43 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3h7q s SER 44 N -1.65 5.57 0.17 4.04 1.04 -0.45 -4.98 113.70 117.44 3h7q s SER 44 Ca 0.34 1.06 0.09 0.00 0.48 0.00 0.00 55.95 57.91 3h7q s SER 44 Cb 0.18 -1.93 -0.07 0.00 0.10 0.00 0.00 66.02 64.31 3h7q s SER 44 CO 0.28 -1.22 1.36 -1.28 0.98 0.00 0.00 173.24 173.36 3h7q h SER 45 N -0.50 0.00 -0.60 7.02 0.87 -1.92 -3.13 113.55 115.30 3h7q h SER 45 Ca -0.45 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.07 3h7q h SER 45 Cb 1.25 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.18 3h7q h SER 45 CO 0.63 0.86 0.22 0.00 -0.53 0.00 0.00 176.83 178.01 3h7q h ALA 46 N 1.14 1.19 -0.56 6.23 0.00 -1.91 -2.08 119.26 123.28 3h7q h ALA 46 Ca -0.01 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 3h7q h ALA 46 Cb 1.60 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 3h7q h ALA 46 CO 0.11 0.57 -0.04 0.00 0.00 0.00 0.00 179.25 179.89 3h7q h ALA 47 N 1.32 0.76 -0.07 0.00 0.00 -1.77 -2.24 119.26 117.24 3h7q h ALA 47 Ca 0.21 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.83 3h7q h ALA 47 Cb 0.23 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3h7q h ALA 47 CO -0.01 0.62 -0.10 -0.09 0.00 0.00 0.00 179.25 179.67 3h7q h ARG 48 N 0.89 -0.13 -0.13 0.00 2.43 -1.40 -2.03 114.38 114.01 3h7q h ARG 48 Ca 0.15 0.01 -0.20 0.00 -0.81 0.00 0.00 59.98 59.13 3h7q h ARG 48 Cb 0.60 0.03 0.01 0.00 -0.42 0.00 0.00 29.97 30.18 3h7q h ARG 48 CO 0.04 -0.08 -0.71 0.45 -1.51 0.00 0.00 179.97 178.15 3h7q h HIS 49 N -0.13 0.97 -0.68 2.20 3.86 -1.40 -2.85 115.15 117.12 3h7q h HIS 49 Ca 0.06 -0.43 -0.03 0.00 -1.16 0.00 0.00 60.37 58.81 3h7q h HIS 49 Cb 0.22 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.51 3h7q h HIS 49 CO -0.19 1.25 0.32 1.25 0.86 0.00 0.00 177.93 181.42 3h7q h LEU 50 N 0.41 0.88 -0.68 2.43 5.85 -1.38 -0.77 115.31 122.04 3h7q h LEU 50 Ca -0.05 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 3h7q h LEU 50 Cb 1.35 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 3h7q h LEU 50 CO 0.15 0.76 0.31 0.00 -0.34 0.00 0.00 178.44 179.32 3h7q h ALA 51 N 1.38 0.88 -0.44 1.25 0.00 -1.37 -0.48 119.26 120.49 3h7q h ALA 51 Ca 0.24 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3h7q h ALA 51 Cb 0.12 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3h7q h ALA 51 CO -0.03 0.46 -0.13 0.00 0.00 0.00 0.00 179.25 179.55 3h7q h ALA 52 N 1.15 0.95 -0.50 0.00 0.00 -1.13 0.11 119.26 119.82 3h7q h ALA 52 Ca 0.23 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3h7q h ALA 52 Cb 0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3h7q h ALA 52 CO -0.03 0.62 -0.01 0.00 0.00 0.00 0.00 179.25 179.83 3h7q h ARG 53 N 0.72 0.86 -0.25 0.00 3.08 -0.94 -1.45 114.38 116.40 3h7q h ARG 53 Ca 0.12 -0.25 -0.15 0.00 0.07 0.00 0.00 59.98 59.77 3h7q h ARG 53 Cb 0.63 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.59 3h7q h ARG 53 CO 0.04 0.86 -0.44 2.35 -1.07 0.00 0.00 179.97 181.71 3h7q h TRP 54 N 0.79 0.93 -0.72 3.04 2.91 -0.69 -1.99 115.95 120.23 3h7q h TRP 54 Ca 0.15 -0.33 0.02 0.00 1.13 0.00 0.00 58.89 59.86 3h7q h TRP 54 Cb 0.49 -0.18 -0.04 0.00 -0.51 0.00 0.00 29.16 28.93 3h7q h TRP 54 CO 0.03 1.11 0.46 0.00 -1.03 0.00 0.00 178.44 179.01 3h7q h ALA 55 N 0.65 0.92 -0.00 2.65 0.00 -0.69 -1.34 119.26 121.44 3h7q h ALA 55 Ca 0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3h7q h ALA 55 Cb 1.05 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 3h7q h ALA 55 CO 0.10 0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.62 3h7q h ALA 56 N 1.29 0.00 -1.00 0.00 0.00 -1.17 -0.35 119.26 118.04 3h7q h ALA 56 Ca 0.28 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.24 3h7q h ALA 56 Cb -0.03 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.67 3h7q h ALA 56 CO -0.09 -0.43 0.63 -0.22 0.00 0.00 0.00 179.25 179.14 3h7q h LYS 57 N -0.12 0.97 -0.42 0.00 3.64 -1.17 -0.63 116.57 118.84 3h7q h LYS 57 Ca 0.00 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.17 3h7q h LYS 57 Cb 0.12 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3h7q h LYS 57 CO -0.00 0.64 -0.33 0.93 -2.27 0.00 0.00 179.45 178.42 3h7q h GLU 58 N 0.99 0.96 -0.79 1.90 4.39 -0.89 -1.03 114.58 120.12 3h7q h GLU 58 Ca 0.49 -0.47 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 3h7q h GLU 58 Cb 0.48 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.09 3h7q h GLU 58 CO -0.25 1.14 0.34 0.00 -1.16 0.00 0.00 179.01 179.07 3h7q h ALA 59 N 0.80 1.02 -0.47 3.43 0.00 -0.16 -0.90 119.26 122.99 3h7q h ALA 59 Ca 0.08 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3h7q h ALA 59 Cb 0.92 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3h7q h ALA 59 CO 0.09 0.62 0.05 0.28 0.00 0.00 0.00 179.25 180.29 3h7q h VAL 60 N 1.13 1.25 -0.73 0.00 2.07 -0.97 -1.77 116.25 117.23 3h7q h VAL 60 Ca 0.26 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.83 3h7q h VAL 60 Cb 0.18 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 3h7q h VAL 60 CO -0.03 0.34 0.46 0.40 0.02 0.00 0.00 177.57 178.76 3h7q h ILE 61 N 0.66 1.20 -0.64 4.57 2.04 -0.90 -1.83 117.51 122.60 3h7q h ILE 61 Ca 0.14 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 3h7q h ILE 61 Cb 0.43 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 3h7q h ILE 61 CO 0.01 0.20 0.36 0.11 0.00 0.00 0.00 178.15 178.83 3h7q h LYS 62 N 0.99 0.89 -0.63 2.37 1.57 -0.97 0.22 116.57 121.01 3h7q h LYS 62 Ca 0.26 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.91 3h7q h LYS 62 Cb -0.08 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.03 3h7q h LYS 62 CO -0.05 0.67 0.24 0.00 -0.57 0.00 0.00 179.45 179.73 3h7q h ALA 63 N 1.17 1.25 0.09 3.86 0.00 -0.94 -2.48 119.26 122.21 3h7q h ALA 63 Ca 0.23 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 3h7q h ALA 63 Cb 0.03 -0.25 0.02 0.00 0.00 0.00 0.00 17.79 17.59 3h7q h ALA 63 CO -0.04 0.55 -0.67 2.35 0.00 0.00 0.00 179.25 181.45 3h7q h TRP 64 N 0.90 0.50 -0.37 0.00 7.01 -1.03 -3.27 115.95 119.69 3h7q h TRP 64 Ca 0.21 -0.34 -0.01 0.00 2.11 0.00 0.00 58.89 60.87 3h7q h TRP 64 Cb 0.19 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.20 3h7q h TRP 64 CO 0.01 1.22 0.21 0.77 -2.79 0.00 0.00 178.44 177.87 3h7q h SER 65 N -0.36 0.44 -0.09 2.65 0.02 -0.53 0.25 113.55 115.94 3h7q h SER 65 Ca -0.11 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 3h7q h SER 65 Cb 1.47 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.90 3h7q h SER 65 CO 0.13 0.36 0.00 0.61 -1.14 0.00 0.00 176.83 176.79 3h7q n GLY 66 N -1.37 -0.52 3.85 -3.77 0.00 -0.94 -4.91 105.19 97.53 3h7q n GLY 66 Ca 0.02 -0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 3h7q n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h7q s SER 67 N -1.22 4.77 0.00 1.61 1.04 0.89 -4.96 113.70 115.83 3h7q s SER 67 Ca 0.16 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.61 3h7q s SER 67 Cb 0.08 -0.26 0.00 0.00 0.10 0.00 0.00 66.02 65.94 3h7q s SER 67 CO 0.12 -0.76 0.50 -2.11 0.98 0.00 0.00 173.24 171.97 3h7q n ARG 68 N -1.54 0.53 -3.71 4.02 1.85 -1.26 -4.50 116.66 112.05 3h7q n ARG 68 Ca 0.01 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.48 3h7q n ARG 68 Cb 0.63 -1.03 -0.12 0.00 -1.05 0.00 0.00 32.46 30.89 3h7q n ARG 68 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3h7q s PHE 69 N -1.88 3.22 -0.30 2.89 0.08 -1.26 -5.21 117.98 115.52 3h7q s PHE 69 Ca 0.00 -1.14 -0.14 0.00 0.12 0.00 0.00 56.93 55.77 3h7q s PHE 69 Cb 0.00 -2.32 0.15 0.00 -0.57 0.00 0.00 43.02 40.29 3h7q s PHE 69 CO 0.00 -0.65 0.91 0.00 -0.10 0.00 0.00 175.22 175.38 3h7q s ALA 70 N 1.48 -2.49 0.00 5.36 0.00 -1.26 -4.72 121.76 120.13 3h7q s ALA 70 Ca 0.01 2.15 0.00 0.00 0.00 0.00 0.00 51.96 54.11 3h7q s ALA 70 Cb -0.19 -1.93 0.00 0.00 0.00 0.00 0.00 23.12 21.01 3h7q s ALA 70 CO 0.04 -0.84 0.00 0.44 0.00 0.00 0.00 175.76 175.40 3h7q n ILE 79 N 4.85 0.00 0.33 0.00 -5.35 -1.26 -5.23 119.36 112.70 3h7q n ILE 79 Ca -0.11 0.00 0.11 0.00 -0.27 0.00 0.00 62.75 62.47 3h7q n ILE 79 Cb 0.53 0.00 -0.14 0.00 -1.74 0.00 0.00 39.64 38.29 3h7q n ILE 79 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 3h7q n HIS 80 N 0.00 0.03 1.88 4.28 8.25 -1.26 -3.93 115.22 124.48 3h7q n HIS 80 Ca 0.00 0.01 0.10 0.00 -0.26 0.00 0.00 57.72 57.57 3h7q n HIS 80 Cb 0.00 -0.35 0.56 0.00 1.12 0.00 0.00 29.99 31.32 3h7q n HIS 80 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 3h7q n ARG 81 N -2.02 1.11 0.01 -0.41 -4.01 -1.26 -2.92 116.66 107.17 3h7q n ARG 81 Ca -0.01 -0.17 0.11 0.00 -1.04 0.00 0.00 57.85 56.74 3h7q n ARG 81 Cb 0.49 -1.33 0.13 0.00 -3.04 0.00 0.00 32.46 28.71 3h7q n ARG 81 CO 0.00 0.00 0.00 -0.25 -3.04 0.00 0.00 177.63 174.34 3h7q n ASP 82 N -0.64 0.63 -4.31 2.89 8.00 -1.25 -4.85 116.55 117.02 3h7q n ASP 82 Ca 0.15 -0.33 -0.35 0.00 0.71 0.00 0.00 54.79 54.97 3h7q n ASP 82 Cb 0.11 0.50 -0.14 0.00 -0.02 0.00 0.00 41.12 41.57 3h7q n ASP 82 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3h7q s ILE 83 N -3.06 3.30 -0.02 0.53 1.01 -1.15 -0.18 121.20 121.64 3h7q s ILE 83 Ca 0.08 -0.52 0.07 0.00 0.00 0.00 0.00 60.65 60.28 3h7q s ILE 83 Cb 0.16 -2.49 -0.02 0.00 0.01 0.00 0.00 42.46 40.12 3h7q s ILE 83 CO 0.75 0.44 -0.22 -0.70 0.00 0.00 0.00 174.94 175.21 3h7q s GLU 84 N 1.38 1.81 -0.19 2.79 2.12 -0.19 -5.02 118.70 121.40 3h7q s GLU 84 Ca 0.05 -0.79 -0.01 0.00 0.36 0.00 0.00 54.97 54.57 3h7q s GLU 84 Cb -0.14 -1.74 0.00 0.00 0.26 0.00 0.00 34.13 32.51 3h7q s GLU 84 CO -0.03 0.48 -0.12 0.08 -0.54 0.00 0.00 175.26 175.13 3h7q s VAL 85 N -0.52 2.80 0.07 3.70 1.01 -1.26 -1.01 120.40 125.18 3h7q s VAL 85 Ca 0.08 -0.70 0.09 0.00 0.00 0.00 0.00 61.98 61.46 3h7q s VAL 85 Cb -0.09 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 3h7q s VAL 85 CO -0.01 0.48 -0.24 -0.69 0.00 0.00 0.00 175.10 174.65 3h7q s VAL 86 N 1.22 2.36 0.24 2.92 1.01 0.29 -4.92 120.40 123.52 3h7q s VAL 86 Ca 0.02 -1.43 0.07 0.00 0.00 0.00 0.00 61.98 60.64 3h7q s VAL 86 Cb -0.14 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 3h7q s VAL 86 CO -0.05 0.28 0.20 0.42 0.00 0.00 0.00 175.10 175.96 3h7q s THR 87 N -0.91 4.54 0.00 3.92 -4.23 -1.26 0.21 115.64 117.91 3h7q s THR 87 Ca 0.13 -1.31 0.00 0.00 -1.18 0.00 0.00 61.69 59.33 3h7q s THR 87 Cb -0.10 -3.44 0.00 0.00 1.34 0.00 0.00 72.50 70.30 3h7q s THR 87 CO 0.04 -0.31 0.00 -2.11 -0.54 0.00 0.00 174.62 171.70 3h7q n ARG 92 N -1.08 0.00 -2.33 3.99 1.85 -1.26 -4.86 116.66 112.97 3h7q n ARG 92 Ca -0.08 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.35 3h7q n ARG 92 Cb 0.57 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.96 3h7q n ARG 92 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 3h7q s PRO 93 N 0.00 4.33 0.02 2.89 0.02 -1.26 -5.04 135.00 135.97 3h7q s PRO 93 Ca 0.00 1.84 0.09 0.00 0.02 0.00 0.00 61.00 62.94 3h7q s PRO 93 Cb 0.00 -3.53 -0.03 0.00 0.02 0.00 0.00 34.50 30.97 3h7q s PRO 93 CO 0.00 -0.48 -0.25 1.03 -0.33 0.00 0.00 177.00 176.96 3h7q s ARG 94 N 2.11 1.82 -0.20 5.54 0.52 0.56 -4.85 118.95 124.46 3h7q s ARG 94 Ca 0.60 -1.02 -0.06 0.00 -0.52 0.00 0.00 55.73 54.73 3h7q s ARG 94 Cb -0.29 -1.91 -0.03 0.00 0.52 0.00 0.00 34.95 33.24 3h7q s ARG 94 CO 0.25 0.50 0.03 0.08 0.02 0.00 0.00 175.30 176.19 3h7q s VAL 95 N -0.73 4.29 -0.12 3.52 1.01 -1.26 -0.55 120.40 126.56 3h7q s VAL 95 Ca 0.11 -0.20 0.03 0.00 0.00 0.00 0.00 61.98 61.91 3h7q s VAL 95 Cb -0.10 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.34 3h7q s VAL 95 CO 0.01 0.43 -0.22 -0.13 0.00 0.00 0.00 175.10 175.18 3h7q s ARG 96 N 0.84 3.07 0.14 2.72 1.81 -0.18 -5.01 118.95 122.33 3h7q s ARG 96 Ca 0.02 -0.86 0.08 0.00 -1.72 0.00 0.00 55.73 53.25 3h7q s ARG 96 Cb -0.14 -2.38 -0.04 0.00 -0.45 0.00 0.00 34.95 31.94 3h7q s ARG 96 CO 0.02 0.11 -0.08 -0.51 -0.68 0.00 0.00 175.30 174.16 3h7q s LEU 97 N 0.51 3.06 0.19 2.53 1.43 -1.26 -1.02 118.68 124.12 3h7q s LEU 97 Ca -0.14 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.52 3h7q s LEU 97 Cb -0.17 -1.80 -0.05 0.00 0.03 0.00 0.00 46.19 44.21 3h7q s LEU 97 CO 0.05 0.14 0.05 0.42 0.23 0.00 0.00 176.35 177.24 3h7q s THR 98 N -1.45 0.44 0.00 5.49 -4.23 0.75 -4.74 115.64 111.90 3h7q s THR 98 Ca 0.23 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.77 3h7q s THR 98 Cb -0.10 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.46 3h7q s THR 98 CO 0.15 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.54 3h7q n GLY 99 N -0.27 2.64 0.45 3.99 0.00 -1.26 -2.98 105.19 107.77 3h7q n GLY 99 Ca -0.04 -0.18 -0.16 0.00 0.00 0.00 0.00 46.02 45.64 3h7q n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h7q h ALA 100 N -0.52 -0.90 -0.73 4.61 0.00 -1.98 -2.86 119.26 116.88 3h7q h ALA 100 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3h7q h ALA 100 Cb 0.00 0.78 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 3h7q h ALA 100 CO 0.00 -1.07 0.41 0.97 0.00 0.00 0.00 179.25 179.56 3h7q h ILE 101 N -0.75 1.21 -0.77 0.00 2.10 -1.91 -1.01 117.51 116.38 3h7q h ILE 101 Ca -0.00 -0.51 0.18 0.00 1.08 0.00 0.00 64.86 65.61 3h7q h ILE 101 Cb 0.74 0.21 -0.13 0.00 -1.09 0.00 0.00 36.82 36.56 3h7q h ILE 101 CO -0.23 0.23 0.07 0.00 -1.08 0.00 0.00 178.15 177.14 3h7q h ALA 102 N 1.45 0.89 -0.47 0.18 0.00 -1.40 -0.51 119.26 119.39 3h7q h ALA 102 Ca 0.26 0.23 -0.13 0.00 0.00 0.00 0.00 54.91 55.26 3h7q h ALA 102 Cb 0.00 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3h7q h ALA 102 CO -0.04 -0.42 -0.23 0.93 0.00 0.00 0.00 179.25 179.48 3h7q h GLU 103 N 0.14 0.99 -0.41 0.00 5.08 -1.15 -2.09 114.58 117.14 3h7q h GLU 103 Ca 0.44 -0.43 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 3h7q h GLU 103 Cb 0.79 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.97 3h7q h GLU 103 CO -0.64 1.11 0.16 1.88 -1.00 0.00 0.00 179.01 180.52 3h7q h TYR 104 N 0.84 0.29 -0.50 4.33 0.05 -0.66 -3.01 116.97 118.31 3h7q h TYR 104 Ca 0.10 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.90 3h7q h TYR 104 Cb 0.81 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.48 3h7q h TYR 104 CO 0.05 0.12 0.01 1.28 -1.05 0.00 0.00 178.16 178.58 3h7q n LEU 105 N -4.99 5.29 -0.31 3.88 4.77 -0.49 -4.58 117.00 120.57 3h7q n LEU 105 Ca 0.02 -2.98 0.21 0.00 -0.03 0.00 0.00 56.01 53.24 3h7q n LEU 105 Cb 0.14 -0.65 0.49 0.00 -2.33 0.00 0.00 43.42 41.06 3h7q n LEU 105 CO 0.27 0.65 1.22 0.00 -1.33 0.00 0.00 177.39 178.20 3h7q h ALA 106 N 3.37 2.16 -0.44 -1.18 0.00 -1.24 -0.61 119.26 121.33 3h7q h ALA 106 Ca 0.01 0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 3h7q h ALA 106 Cb 1.86 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 19.55 3h7q h ALA 106 CO 0.44 -0.54 0.05 -0.25 0.00 0.00 0.00 179.25 178.95 3h7q n ASP 107 N -4.62 3.10 -4.37 0.00 8.00 -1.26 -4.96 116.55 112.43 3h7q n ASP 107 Ca 0.24 -3.55 -0.33 0.00 0.71 0.00 0.00 54.79 51.86 3h7q n ASP 107 Cb 0.81 -0.65 -0.15 0.00 -0.02 0.00 0.00 41.12 41.11 3h7q n ASP 107 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3h7q s VAL 108 N -3.15 2.81 -0.15 2.53 1.01 -0.24 -4.72 120.40 118.50 3h7q s VAL 108 Ca 0.46 -0.77 -0.16 0.00 0.00 0.00 0.00 61.98 61.51 3h7q s VAL 108 Cb 0.40 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 3h7q s VAL 108 CO 0.04 0.55 0.37 -0.89 0.00 0.00 0.00 175.10 175.17 3h7q s THR 109 N -0.03 5.26 -0.20 3.92 2.01 0.49 -4.91 115.64 122.17 3h7q s THR 109 Ca -0.04 0.71 -0.04 0.00 0.31 0.00 0.00 61.69 62.63 3h7q s THR 109 Cb -0.14 -3.71 -0.02 0.00 0.01 0.00 0.00 72.50 68.64 3h7q s THR 109 CO 0.04 0.35 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.67 3h7q s ILE 110 N 0.59 3.60 -0.17 1.82 1.01 -1.26 -1.41 121.20 125.38 3h7q s ILE 110 Ca 0.20 -0.43 -0.02 0.00 0.00 0.00 0.00 60.65 60.41 3h7q s ILE 110 Cb -0.14 -2.63 -0.01 0.00 0.01 0.00 0.00 42.46 39.69 3h7q s ILE 110 CO 0.06 0.43 -0.09 -1.00 0.00 0.00 0.00 174.94 174.35 3h7q s HIS 111 N 1.17 2.89 0.02 3.97 3.76 -0.73 -4.98 115.29 121.39 3h7q s HIS 111 Ca 0.02 -0.76 0.02 0.00 -0.15 0.00 0.00 55.06 54.20 3h7q s HIS 111 Cb -0.14 -1.95 -0.02 0.00 1.11 0.00 0.00 32.58 31.58 3h7q s HIS 111 CO -0.00 -0.34 -0.08 0.54 -0.85 0.00 0.00 174.74 174.02 3h7q s VAL 112 N 0.80 0.56 -0.02 -0.90 0.11 -1.26 -0.64 120.40 119.04 3h7q s VAL 112 Ca -0.03 -0.72 -0.02 0.00 -2.93 0.00 0.00 61.98 58.28 3h7q s VAL 112 Cb -0.15 -0.55 0.01 0.00 -1.53 0.00 0.00 36.38 34.16 3h7q s VAL 112 CO 0.01 -0.13 0.05 -0.55 -3.33 0.00 0.00 175.10 171.15 3h7q s SER 113 N -0.94 -0.05 0.26 3.54 0.15 -0.57 -4.81 113.70 111.29 3h7q s SER 113 Ca -0.04 0.10 0.04 0.00 0.70 0.00 0.00 55.95 56.76 3h7q s SER 113 Cb -0.07 0.09 -0.06 0.00 -1.71 0.00 0.00 66.02 64.28 3h7q s SER 113 CO 0.00 -0.03 -0.00 -1.48 1.20 0.00 0.00 173.24 172.93 3h7q s LEU 114 N 0.13 2.26 -0.06 3.45 0.05 -1.26 -1.25 118.68 122.00 3h7q s LEU 114 Ca -0.01 -1.24 -0.30 0.00 0.05 0.00 0.00 54.13 52.63 3h7q s LEU 114 Cb -0.02 -0.38 0.08 0.00 -2.05 0.00 0.00 46.19 43.83 3h7q s LEU 114 CO -0.00 -0.49 0.75 0.28 -0.55 0.00 0.00 176.35 176.34 3h7q s THR 115 N -3.30 0.00 -0.00 5.48 -1.32 -0.13 -4.98 115.64 111.39 3h7q s THR 115 Ca 0.30 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.79 3h7q s THR 115 Cb 0.06 -1.00 -0.00 0.00 -1.51 0.00 0.00 72.50 70.05 3h7q s THR 115 CO 0.11 0.00 -0.01 -1.38 -2.21 0.00 0.00 174.62 171.13 3h7q s HIS 116 N -1.45 0.10 -0.15 9.09 -3.43 -1.26 -0.63 115.29 117.55 3h7q s HIS 116 Ca -0.07 -0.02 -0.04 0.00 -0.80 0.00 0.00 55.06 54.13 3h7q s HIS 116 Cb -0.00 -0.07 0.07 0.00 -1.43 0.00 0.00 32.58 31.15 3h7q s HIS 116 CO 0.06 -0.00 0.21 -2.00 -2.00 0.00 0.00 174.74 171.00 3h7q s GLU 117 N -0.00 0.13 3.23 -0.38 2.56 0.34 -5.00 118.70 119.58 3h7q s GLU 117 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 54.97 55.39 3h7q s GLU 117 Cb -0.01 -0.71 0.00 0.00 2.00 0.00 0.00 34.13 35.42 3h7q s GLU 117 CO -0.00 -0.48 0.00 0.41 -0.56 0.00 0.00 175.26 174.63 3h7q n GLY 118 N 5.33 1.30 0.02 -1.50 0.00 -1.26 -1.19 105.19 107.88 3h7q n GLY 118 Ca -0.05 0.54 0.14 0.00 0.00 0.00 0.00 46.02 46.65 3h7q n GLY 118 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h7q n ASP 119 N 8.04 0.14 -4.07 1.61 9.92 -1.26 -4.91 116.55 126.03 3h7q n ASP 119 Ca 0.00 0.09 -0.21 0.00 -0.53 0.00 0.00 54.79 54.14 3h7q n ASP 119 Cb 0.00 -0.28 -0.15 0.00 -0.64 0.00 0.00 41.12 40.04 3h7q n ASP 119 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3h7q s THR 120 N -2.83 0.99 0.18 -3.53 2.01 -0.33 -0.83 115.64 111.29 3h7q s THR 120 Ca 0.19 -0.51 0.09 0.00 0.31 0.00 0.00 61.69 61.77 3h7q s THR 120 Cb 0.19 -0.84 -0.04 0.00 0.01 0.00 0.00 72.50 71.82 3h7q s THR 120 CO 0.53 0.29 -0.10 0.00 -0.69 0.00 0.00 174.62 174.65 3h7q s ALA 121 N -0.15 2.93 0.02 7.40 0.00 -0.53 -0.50 121.76 130.93 3h7q s ALA 121 Ca 0.02 -1.46 -0.15 0.00 0.00 0.00 0.00 51.96 50.37 3h7q s ALA 121 Cb -0.06 -0.73 0.02 0.00 0.00 0.00 0.00 23.12 22.35 3h7q s ALA 121 CO -0.00 0.48 0.33 0.00 0.00 0.00 0.00 175.76 176.57 3h7q s ALA 122 N -1.67 -0.79 0.01 0.00 0.00 0.20 -0.69 121.76 118.83 3h7q s ALA 122 Ca 0.24 0.20 -0.14 0.00 0.00 0.00 0.00 51.96 52.26 3h7q s ALA 122 Cb -0.09 0.23 0.02 0.00 0.00 0.00 0.00 23.12 23.28 3h7q s ALA 122 CO 0.15 -0.36 0.29 0.00 0.00 0.00 0.00 175.76 175.84 3h7q s ALA 123 N -2.08 -0.70 0.01 0.00 0.00 -0.55 -0.95 121.76 117.48 3h7q s ALA 123 Ca -0.08 0.13 0.04 0.00 0.00 0.00 0.00 51.96 52.05 3h7q s ALA 123 Cb -0.02 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.28 3h7q s ALA 123 CO -0.00 -0.33 -0.12 0.54 0.00 0.00 0.00 175.76 175.85 3h7q s VAL 124 N -1.94 0.95 -0.01 0.00 0.11 -0.38 -1.26 120.40 117.87 3h7q s VAL 124 Ca -0.09 -0.65 0.04 0.00 -2.93 0.00 0.00 61.98 58.34 3h7q s VAL 124 Cb -0.03 -0.82 -0.01 0.00 -1.53 0.00 0.00 36.38 33.99 3h7q s VAL 124 CO 0.00 0.17 -0.12 0.00 -3.33 0.00 0.00 175.10 171.82 3h7q s ALA 125 N -0.47 0.98 -0.09 1.54 0.00 0.13 -1.51 121.76 122.34 3h7q s ALA 125 Ca 0.03 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.50 3h7q s ALA 125 Cb -0.06 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.83 3h7q s ALA 125 CO 0.00 0.23 -0.08 0.42 0.00 0.00 0.00 175.76 176.33 3h7q s ILE 126 N -0.24 0.98 -0.05 0.00 1.01 0.19 -1.07 121.20 122.02 3h7q s ILE 126 Ca 0.04 -0.30 -0.12 0.00 0.00 0.00 0.00 60.65 60.27 3h7q s ILE 126 Cb -0.05 -0.98 -0.05 0.00 0.01 0.00 0.00 42.46 41.39 3h7q s ILE 126 CO -0.00 0.35 0.31 -0.76 0.00 0.00 0.00 174.94 174.83 3h7q s LEU 127 N 1.41 4.44 0.01 2.97 1.02 -0.03 -1.77 118.68 126.73 3h7q s LEU 127 Ca -0.01 0.78 0.00 0.00 0.02 0.00 0.00 54.13 54.92 3h7q s LEU 127 Cb -0.13 -2.39 -0.01 0.00 0.02 0.00 0.00 46.19 43.67 3h7q s LEU 127 CO -0.05 0.35 -0.02 -0.70 0.02 0.00 0.00 176.35 175.96 3h7q s GLU 128 N -1.04 0.16 -0.09 1.70 2.12 -0.50 0.39 118.70 121.44 3h7q s GLU 128 Ca 0.20 -0.27 -0.27 0.00 0.36 0.00 0.00 54.97 54.99 3h7q s GLU 128 Cb -0.15 0.01 0.06 0.00 0.26 0.00 0.00 34.13 34.32 3h7q s GLU 128 CO 0.10 -0.01 0.63 0.00 -0.54 0.00 0.00 175.26 175.44 3h7q s ALA 129 N -0.61 -1.63 -2.00 6.30 0.00 -0.20 -0.37 121.76 123.25 3h7q s ALA 129 Ca -0.06 1.31 0.04 0.00 0.00 0.00 0.00 51.96 53.25 3h7q s ALA 129 Cb -0.04 -0.21 0.22 0.00 0.00 0.00 0.00 23.12 23.09 3h7q s ALA 129 CO -0.00 -0.35 0.70 -0.35 0.00 0.00 0.00 175.76 175.76