#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ghf s ALA -7 N 0.00 3.49 -2.17 3.04 0.00 -1.26 -4.95 121.76 119.92 2ghf s ALA -7 Ca 0.00 0.22 0.17 0.00 0.00 0.00 0.00 51.96 52.36 2ghf s ALA -7 Cb 0.00 -2.83 0.67 0.00 0.00 0.00 0.00 23.12 20.96 2ghf s ALA -7 CO 0.00 0.33 1.48 0.72 0.00 0.00 0.00 175.76 178.30 2ghf n HIS -6 N 1.48 0.22 -3.98 0.00 -0.00 -1.26 -4.71 115.22 106.98 2ghf n HIS -6 Ca -0.07 -0.11 -0.12 0.00 -0.00 0.00 0.00 57.72 57.42 2ghf n HIS -6 Cb 0.50 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 30.36 2ghf n HIS -6 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2ghf s HIS -5 N -1.78 0.24 0.65 4.41 0.09 -1.26 -5.16 115.29 112.48 2ghf s HIS -5 Ca 0.28 -0.22 -0.02 0.00 -0.00 0.00 0.00 55.06 55.10 2ghf s HIS -5 Cb 0.15 -0.16 0.07 0.00 -0.00 0.00 0.00 32.58 32.64 2ghf s HIS -5 CO 0.22 -0.06 0.91 -1.01 -0.00 0.00 0.00 174.74 174.80 2ghf s HIS -4 N -0.59 2.52 0.13 1.40 4.02 -1.26 -5.07 115.29 116.43 2ghf s HIS -4 Ca -0.05 0.05 -0.22 0.00 1.02 0.00 0.00 55.06 55.86 2ghf s HIS -4 Cb -0.04 -2.97 -0.07 0.00 -1.02 0.00 0.00 32.58 28.47 2ghf s HIS -4 CO -0.00 -1.28 0.68 -1.58 1.02 0.00 0.00 174.74 173.58 2ghf s HIS -3 N -3.02 3.85 -0.68 1.40 5.04 -1.26 -4.95 115.29 115.67 2ghf s HIS -3 Ca 0.61 1.46 0.19 0.00 -1.54 0.00 0.00 55.06 55.78 2ghf s HIS -3 Cb -0.09 -2.64 0.80 0.00 0.04 0.00 0.00 32.58 30.69 2ghf s HIS -3 CO 0.42 0.54 1.57 -2.39 -2.34 0.00 0.00 174.74 172.54 2ghf n HIS -2 N 1.60 0.45 -3.29 3.88 -0.00 -1.26 -4.61 115.22 112.00 2ghf n HIS -2 Ca -0.08 0.19 -0.38 0.00 -0.00 0.00 0.00 57.72 57.44 2ghf n HIS -2 Cb 0.50 -0.80 -0.06 0.00 -0.00 0.00 0.00 29.99 29.63 2ghf n HIS -2 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2ghf s HIS -1 N -3.20 3.71 0.56 -1.40 0.09 -1.26 -5.07 115.29 108.73 2ghf s HIS -1 Ca 0.04 1.16 -0.06 0.00 -0.00 0.00 0.00 55.06 56.20 2ghf s HIS -1 Cb 0.09 -2.52 -0.01 0.00 -0.00 0.00 0.00 32.58 30.14 2ghf s HIS -1 CO 0.31 0.45 0.89 -0.80 -0.00 0.00 0.00 174.74 175.58 2ghf s ASN 60 N -0.54 5.86 0.28 1.40 0.01 -1.26 -5.02 114.94 115.68 2ghf s ASN 60 Ca 0.29 0.87 -0.29 0.00 -0.71 0.00 0.00 52.86 53.01 2ghf s ASN 60 Cb -0.18 -1.96 -0.10 0.00 0.41 0.00 0.00 41.25 39.42 2ghf s ASN 60 CO 0.16 -0.90 1.34 0.00 -1.51 0.00 0.00 177.10 176.19 2ghf s GLN 61 N -4.95 4.35 0.19 -0.60 -2.07 -1.26 -4.92 119.66 110.40 2ghf s GLN 61 Ca 0.52 2.20 -0.11 0.00 -1.82 0.00 0.00 55.36 56.15 2ghf s GLN 61 Cb -0.11 -3.11 0.11 0.00 -1.09 0.00 0.00 33.01 28.82 2ghf s GLN 61 CO 0.46 -0.25 1.78 0.37 -1.32 0.00 0.00 175.29 176.33 2ghf h GLN 62 N 4.20 0.95 -6.38 9.60 5.75 -1.99 -3.39 115.11 123.85 2ghf h GLN 62 Ca -0.47 -0.13 -0.57 0.00 -0.15 0.00 0.00 58.65 57.33 2ghf h GLN 62 Cb 1.22 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 29.55 2ghf h GLN 62 CO 0.71 0.74 1.06 -0.80 -2.65 0.00 0.00 178.83 177.89 2ghf s ASN 63 N -6.05 6.45 0.29 -0.69 0.01 -1.26 -4.77 114.94 108.93 2ghf s ASN 63 Ca -0.13 1.20 0.22 0.00 -0.71 0.00 0.00 52.86 53.44 2ghf s ASN 63 Cb 0.14 -2.54 0.13 0.00 0.41 0.00 0.00 41.25 39.39 2ghf s ASN 63 CO 0.79 -1.27 1.28 0.11 -1.51 0.00 0.00 177.10 176.51 2ghf h LYS 64 N 10.28 0.00 -7.33 -0.60 1.57 -1.97 -3.46 116.57 115.06 2ghf h LYS 64 Ca -0.29 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.02 2ghf h LYS 64 Cb 1.12 0.00 0.11 0.00 0.08 0.00 0.00 32.23 33.54 2ghf h LYS 64 CO 1.04 0.06 0.20 0.15 -0.57 0.00 0.00 179.45 180.33 2ghf s LYS 65 N -3.24 1.19 0.22 3.15 -0.14 -1.26 -5.00 119.74 114.66 2ghf s LYS 65 Ca 0.03 -1.06 -0.30 0.00 -1.36 0.00 0.00 55.97 53.28 2ghf s LYS 65 Cb 0.08 -2.19 -0.08 0.00 -1.68 0.00 0.00 37.83 33.95 2ghf s LYS 65 CO 0.74 -1.86 0.97 0.54 -0.76 0.00 0.00 175.35 174.98 2ghf s VAL 66 N -3.40 4.08 0.09 3.17 0.11 -1.26 -4.96 120.40 118.23 2ghf s VAL 66 Ca 0.70 2.00 0.00 0.00 -2.93 0.00 0.00 61.98 61.76 2ghf s VAL 66 Cb -0.03 -4.27 0.00 0.00 -1.53 0.00 0.00 36.38 30.54 2ghf s VAL 66 CO 0.48 0.44 0.00 -1.84 -3.33 0.00 0.00 175.10 170.85 2ghf n GLU 67 N 1.73 0.00 -3.14 1.54 0.28 -1.26 -5.07 120.64 114.73 2ghf n GLU 67 Ca -0.01 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.03 2ghf n GLU 67 Cb 0.47 -0.46 -0.00 0.00 1.43 0.00 0.00 31.44 32.88 2ghf n GLU 67 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 2ghf s GLY 68 N -4.26 -1.16 0.00 -1.84 0.00 -1.26 -4.99 107.32 93.82 2ghf s GLY 68 Ca 0.00 1.41 0.00 0.00 0.00 0.00 0.00 44.72 46.13 2ghf s GLY 68 CO 0.00 3.87 0.00 0.61 0.00 0.00 0.00 173.10 177.58 2ghf n GLY 69 N 5.17 0.69 3.24 0.20 0.00 -1.26 -4.02 105.19 109.21 2ghf n GLY 69 Ca 0.07 -1.59 -0.34 0.00 0.00 0.00 0.00 46.02 44.16 2ghf n GLY 69 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ghf s TYR 70 N -3.84 2.97 -0.09 1.61 2.02 0.61 -4.80 117.35 115.83 2ghf s TYR 70 Ca 0.00 -1.29 -0.08 0.00 -0.37 0.00 0.00 57.07 55.33 2ghf s TYR 70 Cb 0.00 -2.06 -0.04 0.00 -0.40 0.00 0.00 41.96 39.46 2ghf s TYR 70 CO 0.00 -0.66 0.19 -2.00 -1.57 0.00 0.00 175.55 171.51 2ghf s GLU 71 N 1.39 3.52 0.46 -0.62 2.12 -1.26 -0.72 118.70 123.59 2ghf s GLU 71 Ca 0.04 -0.06 -0.20 0.00 0.36 0.00 0.00 54.97 55.11 2ghf s GLU 71 Cb -0.15 -3.18 -0.10 0.00 0.26 0.00 0.00 34.13 30.96 2ghf s GLU 71 CO -0.05 0.75 0.99 0.00 -0.54 0.00 0.00 175.26 176.41 2ghf h LYS 73 N 1.66 0.00 -0.39 0.00 3.11 -1.00 -3.34 116.57 116.60 2ghf h LYS 73 Ca -0.49 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.35 2ghf h LYS 73 Cb 1.20 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.43 2ghf h LYS 73 CO 0.60 0.00 0.00 0.66 -2.81 0.00 0.00 179.45 177.90 2ghf n TYR 74 N -2.81 0.50 -3.57 1.91 4.01 -1.26 -4.57 117.16 111.38 2ghf n TYR 74 Ca 0.04 -0.25 -0.09 0.00 -0.16 0.00 0.00 57.90 57.44 2ghf n TYR 74 Cb 0.51 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.50 2ghf n TYR 74 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2ghf n THR 76 N 0.39 4.40 -3.73 0.00 -1.04 -1.26 -4.10 114.28 108.95 2ghf n THR 76 Ca -0.08 -4.59 -0.13 0.00 -2.04 0.00 0.00 64.05 57.21 2ghf n THR 76 Cb 0.59 -2.36 -0.10 0.00 -1.82 0.00 0.00 70.33 66.64 2ghf n THR 76 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 2ghf s PHE 77 N 0.37 -0.47 0.03 -1.42 5.36 -1.26 -4.83 117.98 115.76 2ghf s PHE 77 Ca 0.39 1.13 0.04 0.00 -0.96 0.00 0.00 56.93 57.54 2ghf s PHE 77 Cb 0.06 0.17 -0.02 0.00 -0.34 0.00 0.00 43.02 42.89 2ghf s PHE 77 CO 0.01 -0.23 -0.13 -1.14 -1.46 0.00 0.00 175.22 172.27 2ghf s GLN 78 N 0.31 0.85 -0.05 10.12 0.74 -1.26 -2.34 119.66 128.03 2ghf s GLN 78 Ca -0.01 -0.70 -0.02 0.00 0.05 0.00 0.00 55.36 54.68 2ghf s GLN 78 Cb -0.03 -0.83 0.04 0.00 1.10 0.00 0.00 33.01 33.28 2ghf s GLN 78 CO -0.00 0.20 0.09 -0.08 -0.55 0.00 0.00 175.29 174.95 2ghf s THR 79 N -0.83 -0.13 -1.62 -0.34 -1.32 0.10 -4.89 115.64 106.61 2ghf s THR 79 Ca 0.00 0.34 0.15 0.00 -1.21 0.00 0.00 61.69 60.97 2ghf s THR 79 Cb -0.07 -0.18 0.32 0.00 -1.51 0.00 0.00 72.50 71.05 2ghf s THR 79 CO 0.01 0.14 1.39 -0.81 -2.21 0.00 0.00 174.62 173.14 2ghf n PRO 80 N 4.94 0.30 -3.46 7.08 -0.04 -1.26 -0.28 135.00 142.29 2ghf n PRO 80 Ca -0.11 0.10 -0.42 0.00 -0.04 0.00 0.00 63.50 63.02 2ghf n PRO 80 Cb 0.50 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.36 2ghf n PRO 80 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2ghf s ASP 81 N -2.38 6.11 0.27 3.54 1.01 -1.26 -4.75 116.67 119.21 2ghf s ASP 81 Ca 0.17 -0.77 0.00 0.00 0.71 0.00 0.00 52.55 52.66 2ghf s ASP 81 Cb 0.10 -2.16 0.55 0.00 1.01 0.00 0.00 42.92 42.42 2ghf s ASP 81 CO 0.21 -0.41 1.80 0.25 0.21 0.00 0.00 175.17 177.23 2ghf h LEU 82 N 8.63 0.75 -0.55 1.23 7.12 -1.98 0.25 115.31 130.76 2ghf h LEU 82 Ca -0.28 0.07 0.11 0.00 0.13 0.00 0.00 57.88 57.91 2ghf h LEU 82 Cb 1.13 -0.07 -0.09 0.00 -0.53 0.00 0.00 40.66 41.09 2ghf h LEU 82 CO 0.71 0.37 -0.01 -1.13 -0.13 0.00 0.00 178.44 178.25 2ghf h ASN 83 N 0.82 -0.27 0.33 1.25 -0.00 -1.96 0.25 115.58 116.00 2ghf h ASN 83 Ca 0.48 0.14 -0.28 0.00 -0.00 0.00 0.00 56.30 56.64 2ghf h ASN 83 Cb 0.57 0.25 0.02 0.00 -0.00 0.00 0.00 38.32 39.16 2ghf h ASN 83 CO -0.31 -0.10 -1.19 0.24 -0.00 0.00 0.00 177.43 176.08 2ghf h MET 84 N 0.11 0.47 0.41 6.67 2.86 -1.56 -2.44 114.93 121.45 2ghf h MET 84 Ca 0.28 -0.64 -0.02 0.00 -2.06 0.00 0.00 59.70 57.26 2ghf h MET 84 Cb 0.44 0.22 -0.00 0.00 0.06 0.00 0.00 31.60 32.31 2ghf h MET 84 CO -0.48 1.27 -0.24 0.35 1.06 0.00 0.00 176.91 178.88 2ghf h PHE 85 N 0.20 -0.62 0.00 -0.22 3.57 0.59 0.47 116.94 120.94 2ghf h PHE 85 Ca -0.15 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.27 2ghf h PHE 85 Cb 1.87 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 40.81 2ghf h PHE 85 CO 0.09 -0.37 -0.32 0.00 -2.23 0.00 0.00 178.31 175.48 2ghf h THR 86 N -0.61 0.84 0.11 4.41 1.03 -0.66 0.11 112.91 118.14 2ghf h THR 86 Ca -0.05 -1.29 -0.01 0.00 -0.01 0.00 0.00 66.41 65.05 2ghf h THR 86 Cb 0.50 1.79 0.00 0.00 -1.07 0.00 0.00 68.15 69.37 2ghf h THR 86 CO 0.06 0.31 -0.05 0.15 -0.01 0.00 0.00 175.52 175.98 2ghf h PHE 87 N 0.00 -0.14 -0.17 0.00 3.57 -1.00 0.23 116.94 119.44 2ghf h PHE 87 Ca -0.00 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.52 2ghf h PHE 87 Cb 0.77 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 2ghf h PHE 87 CO 0.00 0.28 0.11 1.25 -2.23 0.00 0.00 178.31 177.72 2ghf h HIS 88 N -0.59 0.10 0.15 0.41 2.76 0.28 0.23 115.15 118.49 2ghf h HIS 88 Ca -0.01 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.15 2ghf h HIS 88 Cb 0.47 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.40 2ghf h HIS 88 CO 0.06 0.06 -0.07 0.28 -1.30 0.00 0.00 177.93 176.96 2ghf h VAL 89 N 0.10 0.79 0.00 5.26 2.07 -0.64 0.76 116.25 124.60 2ghf h VAL 89 Ca 0.07 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.38 2ghf h VAL 89 Cb 0.16 1.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2ghf h VAL 89 CO -0.01 0.22 -0.10 -0.78 0.02 0.00 0.00 177.57 176.92 2ghf h ASP 90 N -0.91 0.00 0.06 0.57 3.58 0.12 0.36 116.42 120.20 2ghf h ASP 90 Ca -0.02 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.12 2ghf h ASP 90 Cb 0.51 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.53 2ghf h ASP 90 CO 0.03 0.10 -1.70 -0.24 -2.88 0.00 0.00 179.24 174.55 2ghf n SER 91 N -4.13 1.99 -0.00 2.28 2.88 0.76 -4.12 113.62 113.27 2ghf n SER 91 Ca -0.03 0.31 0.07 0.00 -1.33 0.00 0.00 58.87 57.89 2ghf n SER 91 Cb 0.18 -0.90 -0.10 0.00 -0.75 0.00 0.00 64.21 62.65 2ghf n SER 91 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2ghf n GLU 92 N -3.97 1.37 -2.99 -1.46 -0.58 0.26 -4.59 120.64 108.67 2ghf n GLU 92 Ca -0.34 -0.07 -0.14 0.00 -0.42 0.00 0.00 57.16 56.19 2ghf n GLU 92 Cb 0.86 -1.25 0.01 0.00 -0.57 0.00 0.00 31.44 30.49 2ghf n GLU 92 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2ghf n HIS 93 N -1.68 -0.18 0.53 -0.32 8.25 0.12 -5.00 115.22 116.94 2ghf n HIS 93 Ca -0.00 -3.27 -0.21 0.00 -0.26 0.00 0.00 57.72 53.98 2ghf n HIS 93 Cb 0.30 -0.02 -0.10 0.00 1.12 0.00 0.00 29.99 31.29 2ghf n HIS 93 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2ghf h PRO 94 N 2.95 -1.28 -4.44 -0.41 0.13 -1.54 -3.39 132.00 124.02 2ghf h PRO 94 Ca 0.01 0.09 -0.70 0.00 -0.87 0.00 0.00 66.00 64.52 2ghf h PRO 94 Cb 1.05 0.29 -0.32 0.00 0.13 0.00 0.00 31.00 32.15 2ghf h PRO 94 CO 0.42 -0.85 -0.50 -0.80 -0.23 0.00 0.00 178.00 176.03 2ghf s ASN 95 N -4.03 5.40 -0.18 1.44 -0.87 -1.26 -4.86 114.94 110.58 2ghf s ASN 95 Ca -0.20 -1.91 -0.02 0.00 -1.57 0.00 0.00 52.86 49.16 2ghf s ASN 95 Cb 0.02 -1.89 -0.01 0.00 -0.02 0.00 0.00 41.25 39.35 2ghf s ASN 95 CO 0.60 -0.57 -0.08 0.68 -2.57 0.00 0.00 177.10 175.16 2ghf s VAL 96 N 1.23 3.28 -0.37 1.60 -7.23 -1.26 -5.02 120.40 112.63 2ghf s VAL 96 Ca 0.06 -0.55 0.03 0.00 -1.81 0.00 0.00 61.98 59.71 2ghf s VAL 96 Cb -0.24 -2.45 0.15 0.00 0.56 0.00 0.00 36.38 34.41 2ghf s VAL 96 CO -0.02 0.47 0.35 0.54 -0.31 0.00 0.00 175.10 176.12 2ghf s VAL 97 N 0.99 -0.22 0.00 1.32 0.11 -1.26 -3.44 120.40 117.89 2ghf s VAL 97 Ca -0.01 -1.21 0.00 0.00 -2.93 0.00 0.00 61.98 57.83 2ghf s VAL 97 Cb -0.15 -0.76 0.00 0.00 -1.53 0.00 0.00 36.38 33.94 2ghf s VAL 97 CO -0.00 -0.68 0.00 0.18 -3.33 0.00 0.00 175.10 171.26 2ghf n LEU 98 N 4.10 0.00 0.00 2.54 4.77 -1.26 -4.95 117.00 122.20 2ghf n LEU 98 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 2ghf n LEU 98 Cb 0.44 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2ghf n LEU 98 CO 0.10 -0.37 0.00 -0.46 -1.33 0.00 0.00 177.39 175.33 2ghf n ASN 99 N -2.22 0.00 -4.85 -1.43 0.23 -1.26 -5.11 115.26 100.62 2ghf n ASN 99 Ca 0.00 0.00 -0.36 0.00 -0.53 0.00 0.00 54.58 53.69 2ghf n ASN 99 Cb 0.00 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.64 2ghf n ASN 99 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 2ghf s SER 100 N 2.00 6.72 0.26 0.53 0.01 -1.26 -4.67 113.70 117.29 2ghf s SER 100 Ca 0.00 0.88 -0.20 0.00 1.31 0.00 0.00 55.95 57.94 2ghf s SER 100 Cb 0.00 -2.21 0.06 0.00 0.21 0.00 0.00 66.02 64.07 2ghf s SER 100 CO 0.00 0.20 0.89 -0.44 0.41 0.00 0.00 173.24 174.31 2ghf s SER 101 N -1.56 -0.07 0.00 2.44 0.01 -1.26 -5.03 113.70 108.22 2ghf s SER 101 Ca 0.31 -0.77 0.05 0.00 1.31 0.00 0.00 55.95 56.85 2ghf s SER 101 Cb -0.15 0.65 -0.03 0.00 0.21 0.00 0.00 66.02 66.70 2ghf s SER 101 CO 0.17 -1.26 -0.15 -0.31 0.41 0.00 0.00 173.24 172.10 2ghf s TYR 102 N -2.69 2.66 -0.00 2.43 1.51 -1.24 -0.68 117.35 119.33 2ghf s TYR 102 Ca 0.16 -0.19 0.04 0.00 -1.01 0.00 0.00 57.07 56.07 2ghf s TYR 102 Cb -0.04 -1.55 -0.01 0.00 -0.11 0.00 0.00 41.96 40.26 2ghf s TYR 102 CO 0.07 0.24 -0.12 0.54 -1.11 0.00 0.00 175.55 175.17 2ghf s VAL 103 N -0.87 0.93 -0.59 0.71 0.11 -0.05 -1.97 120.40 118.68 2ghf s VAL 103 Ca 0.14 -0.56 -0.27 0.00 -2.93 0.00 0.00 61.98 58.36 2ghf s VAL 103 Cb -0.11 -0.79 0.03 0.00 -1.53 0.00 0.00 36.38 33.99 2ghf s VAL 103 CO 0.04 0.22 1.12 0.00 -3.33 0.00 0.00 175.10 173.16 2ghf h VAL 105 N 6.11 0.91 -0.59 0.00 2.07 -1.80 1.02 116.25 123.97 2ghf h VAL 105 Ca -0.26 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 2ghf h VAL 105 Cb 1.06 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 2ghf h VAL 105 CO 1.17 0.03 0.21 -0.33 0.02 0.00 0.00 177.57 178.66 2ghf h GLU 106 N 0.17 0.87 0.00 1.57 4.39 -1.89 -2.89 114.58 116.81 2ghf h GLU 106 Ca 0.16 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2ghf h GLU 106 Cb 0.43 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2ghf h GLU 106 CO -0.02 0.74 -1.53 0.00 -1.16 0.00 0.00 179.01 177.03 2ghf n ASN 108 N -1.92 -6.17 -3.81 0.00 5.03 0.34 -5.03 115.26 103.70 2ghf n ASN 108 Ca -0.02 -0.70 -0.20 0.00 0.87 0.00 0.00 54.58 54.53 2ghf n ASN 108 Cb 0.38 -3.95 -0.17 0.00 -1.02 0.00 0.00 39.78 35.02 2ghf n ASN 108 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 2ghf s PHE 109 N -3.25 0.55 -0.14 3.10 -0.12 -1.09 -4.95 117.98 112.10 2ghf s PHE 109 Ca 0.27 -0.11 -0.12 0.00 -0.05 0.00 0.00 56.93 56.92 2ghf s PHE 109 Cb -0.08 -0.63 -0.05 0.00 -0.63 0.00 0.00 43.02 41.63 2ghf s PHE 109 CO 0.82 -0.22 0.27 -0.51 -0.05 0.00 0.00 175.22 175.52 2ghf s LEU 110 N 1.40 4.30 0.14 -1.99 1.43 -1.26 -1.59 118.68 121.11 2ghf s LEU 110 Ca -0.04 0.54 0.06 0.00 -1.03 0.00 0.00 54.13 53.66 2ghf s LEU 110 Cb -0.13 -2.32 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 2ghf s LEU 110 CO -0.03 0.19 -0.14 0.28 0.23 0.00 0.00 176.35 176.88 2ghf s THR 111 N -0.01 1.43 0.19 5.49 -1.32 -0.83 -0.36 115.64 120.23 2ghf s THR 111 Ca 0.16 -1.83 0.11 0.00 -1.21 0.00 0.00 61.69 58.92 2ghf s THR 111 Cb -0.13 -1.66 -0.05 0.00 -1.51 0.00 0.00 72.50 69.14 2ghf s THR 111 CO 0.05 -0.45 1.52 0.50 -2.21 0.00 0.00 174.62 174.03 2ghf h LYS 112 N 3.30 0.00 -6.36 7.08 3.64 -1.80 -3.29 116.57 119.15 2ghf h LYS 112 Ca -0.40 0.00 -0.68 0.00 -1.27 0.00 0.00 60.65 58.30 2ghf h LYS 112 Cb 1.20 0.00 -0.19 0.00 -0.41 0.00 0.00 32.23 32.83 2ghf h LYS 112 CO 0.53 0.69 -0.74 -0.98 -2.27 0.00 0.00 179.45 176.68 2ghf s ARG 113 N -3.32 2.44 0.53 1.90 3.03 -1.26 -4.80 118.95 117.46 2ghf s ARG 113 Ca -0.00 -0.77 0.34 0.00 2.03 0.00 0.00 55.73 57.33 2ghf s ARG 113 Cb 0.11 -2.41 1.50 0.00 -1.03 0.00 0.00 34.95 33.12 2ghf s ARG 113 CO 0.77 0.59 2.01 0.10 -1.13 0.00 0.00 175.30 177.64 2ghf h TYR 114 N 4.68 0.00 -0.68 5.89 -0.00 -1.93 -3.02 116.97 121.91 2ghf h TYR 114 Ca -0.48 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.23 2ghf h TYR 114 Cb 1.16 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 37.86 2ghf h TYR 114 CO 0.55 0.00 0.33 -0.44 -0.00 0.00 0.00 178.16 178.61 2ghf h ASP 115 N 0.00 0.87 0.20 0.10 3.32 -1.97 -2.33 116.42 116.61 2ghf h ASP 115 Ca 0.00 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 2ghf h ASP 115 Cb 0.38 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 2ghf h ASP 115 CO 0.00 0.74 -0.07 0.00 -1.72 0.00 0.00 179.24 178.18 2ghf h ALA 116 N 1.40 1.41 0.00 3.45 0.00 -1.95 0.19 119.26 123.77 2ghf h ALA 116 Ca 0.24 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.88 2ghf h ALA 116 Cb 0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2ghf h ALA 116 CO -0.03 0.09 -1.10 -0.07 0.00 0.00 0.00 179.25 178.14 2ghf h LEU 117 N 0.00 0.00 0.07 0.00 -0.00 -1.63 -1.87 115.31 111.87 2ghf h LEU 117 Ca -0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.88 57.59 2ghf h LEU 117 Cb 0.19 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 40.88 2ghf h LEU 117 CO 0.01 0.86 -1.17 -1.28 -0.00 0.00 0.00 178.44 176.86 2ghf h SER 118 N 0.00 0.88 1.71 -0.43 0.87 -0.53 -3.01 113.55 113.04 2ghf h SER 118 Ca -0.08 -0.77 -0.01 0.00 -1.23 0.00 0.00 61.79 59.69 2ghf h SER 118 Cb 1.73 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 63.42 2ghf h SER 118 CO 0.10 1.57 -0.07 -0.33 -0.53 0.00 0.00 176.83 177.57 2ghf h GLU 119 N 0.32 0.00 0.07 2.24 5.08 -0.99 -3.37 114.58 117.93 2ghf h GLU 119 Ca -0.16 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.22 2ghf h GLU 119 Cb 1.83 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 31.03 2ghf h GLU 119 CO 0.22 0.07 -0.49 1.25 -1.00 0.00 0.00 179.01 179.06 2ghf h HIS 120 N 0.00 -1.41 0.00 4.33 2.76 -1.19 0.26 115.15 119.90 2ghf h HIS 120 Ca -0.00 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 2ghf h HIS 120 Cb 0.94 0.61 0.00 0.00 1.55 0.00 0.00 27.41 30.51 2ghf h HIS 120 CO 0.00 -0.56 0.00 -2.95 -1.30 0.00 0.00 177.93 173.12 2ghf h ASN 121 N -0.68 0.00 0.05 3.26 -1.07 -1.72 0.85 115.58 116.26 2ghf h ASN 121 Ca 0.02 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.38 2ghf h ASN 121 Cb 0.72 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.97 2ghf h ASN 121 CO -0.31 0.00 -0.02 0.25 0.07 0.00 0.00 177.43 177.42 2ghf h LEU 122 N 0.00 -0.05 0.00 6.14 5.85 -1.17 -3.00 115.31 123.08 2ghf h LEU 122 Ca 0.00 -0.61 -0.25 0.00 0.84 0.00 0.00 57.88 57.85 2ghf h LEU 122 Cb 0.31 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 2ghf h LEU 122 CO 0.00 0.68 -1.94 2.29 -0.34 0.00 0.00 178.44 179.13 2ghf n LYS 123 N -4.76 0.40 -0.06 1.25 2.85 0.71 -4.34 118.16 114.21 2ghf n LYS 123 Ca -0.08 0.11 -0.10 0.00 -1.05 0.00 0.00 58.31 57.19 2ghf n LYS 123 Cb 0.32 -1.28 -0.09 0.00 -0.65 0.00 0.00 35.03 33.33 2ghf n LYS 123 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 177.40 179.23 2ghf h TYR 124 N -0.13 0.00 -2.36 5.58 -1.99 0.27 -3.39 116.97 114.96 2ghf h TYR 124 Ca -0.38 0.00 -0.65 0.00 2.00 0.00 0.00 58.73 59.70 2ghf h TYR 124 Cb 1.53 0.00 -0.39 0.00 2.00 0.00 0.00 36.73 39.87 2ghf h TYR 124 CO 0.00 0.68 -0.26 0.72 -0.00 0.00 0.00 178.16 179.31 2ghf n HIS 125 N -4.66 3.33 -2.50 4.88 8.25 0.18 -4.95 115.22 119.75 2ghf n HIS 125 Ca -0.08 -3.77 -0.35 0.00 -0.26 0.00 0.00 57.72 53.27 2ghf n HIS 125 Cb 0.33 -0.72 -0.03 0.00 1.12 0.00 0.00 29.99 30.69 2ghf n HIS 125 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2ghf s PRO 126 N -2.59 3.79 0.00 -0.41 0.04 -1.13 -4.28 135.00 130.41 2ghf s PRO 126 Ca 0.38 1.43 0.00 0.00 0.04 0.00 0.00 61.00 62.85 2ghf s PRO 126 Cb 0.13 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.52 2ghf s PRO 126 CO 0.02 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 177.01 2ghf n GLY 127 N -0.09 2.64 3.52 0.56 0.00 -1.25 -5.03 105.19 105.53 2ghf n GLY 127 Ca 0.09 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 2ghf n GLY 127 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ghf s GLU 128 N 0.00 1.77 -0.39 1.61 4.04 -1.26 -5.12 118.70 119.34 2ghf s GLU 128 Ca 0.00 -1.58 0.01 0.00 0.04 0.00 0.00 54.97 53.44 2ghf s GLU 128 Cb 0.00 0.45 0.13 0.00 0.02 0.00 0.00 34.13 34.73 2ghf s GLU 128 CO 0.00 -0.73 0.21 -2.00 -1.84 0.00 0.00 175.26 170.89 2ghf s GLU 129 N -3.38 0.99 -0.35 -4.83 2.12 -1.26 -4.69 118.70 107.29 2ghf s GLU 129 Ca 0.28 -1.66 0.03 0.00 0.36 0.00 0.00 54.97 53.98 2ghf s GLU 129 Cb -0.00 -1.98 0.16 0.00 0.26 0.00 0.00 34.13 32.56 2ghf s GLU 129 CO 0.16 -1.15 0.42 -0.80 -0.54 0.00 0.00 175.26 173.35 2ghf s ASN 130 N 0.76 0.62 -0.05 -1.70 0.01 -1.26 -5.13 114.94 108.19 2ghf s ASN 130 Ca 0.16 -1.15 0.00 0.00 -0.71 0.00 0.00 52.86 51.17 2ghf s ASN 130 Cb -0.23 0.89 -0.03 0.00 0.41 0.00 0.00 41.25 42.28 2ghf s ASN 130 CO -0.03 -0.27 -0.03 -0.36 -1.51 0.00 0.00 177.10 174.89 2ghf s PHE 131 N 1.79 3.04 0.34 2.20 0.08 -1.26 -3.43 117.98 120.74 2ghf s PHE 131 Ca 0.15 0.09 0.08 0.00 0.12 0.00 0.00 56.93 57.37 2ghf s PHE 131 Cb -0.13 -1.72 -0.04 0.00 -0.57 0.00 0.00 43.02 40.56 2ghf s PHE 131 CO -0.12 0.41 0.12 -1.59 -0.10 0.00 0.00 175.22 173.94 2ghf s LYS 132 N -1.05 2.32 -0.07 0.44 -2.85 0.19 -4.95 119.74 113.77 2ghf s LYS 132 Ca 0.15 -1.58 0.02 0.00 -1.00 0.00 0.00 55.97 53.55 2ghf s LYS 132 Cb -0.11 -2.13 0.01 0.00 -2.06 0.00 0.00 37.83 33.54 2ghf s LYS 132 CO 0.04 0.12 -0.12 -0.48 0.10 0.00 0.00 175.35 175.01 2ghf s LEU 133 N -3.82 1.62 -0.06 2.77 2.34 -1.26 -1.62 118.68 118.66 2ghf s LEU 133 Ca 0.37 -0.31 -0.02 0.00 0.06 0.00 0.00 54.13 54.24 2ghf s LEU 133 Cb -0.02 -0.84 0.03 0.00 -0.56 0.00 0.00 46.19 44.80 2ghf s LEU 133 CO 0.22 0.02 0.04 0.28 -1.06 0.00 0.00 176.35 175.85 2ghf s THR 134 N 0.75 0.11 -0.50 5.48 -1.32 0.14 -4.97 115.64 115.33 2ghf s THR 134 Ca -0.13 0.27 -0.19 0.00 -1.21 0.00 0.00 61.69 60.43 2ghf s THR 134 Cb -0.16 -0.34 0.06 0.00 -1.51 0.00 0.00 72.50 70.55 2ghf s THR 134 CO 0.03 0.20 0.59 -0.32 -2.21 0.00 0.00 174.62 172.90 2ghf s MET 135 N 2.08 3.11 -0.24 7.08 1.75 -1.26 0.25 119.30 132.06 2ghf s MET 135 Ca 0.05 -0.93 -0.03 0.00 -1.25 0.00 0.00 55.69 53.53 2ghf s MET 135 Cb -0.12 -4.09 0.12 0.00 2.84 0.00 0.00 34.83 33.58 2ghf s MET 135 CO -0.04 -1.17 0.32 0.14 -0.65 0.00 0.00 175.02 173.62 2ghf s VAL 136 N 2.48 -0.50 -0.17 10.11 -7.23 -1.20 -4.93 120.40 118.96 2ghf s VAL 136 Ca 0.14 -0.14 -0.04 0.00 -1.81 0.00 0.00 61.98 60.12 2ghf s VAL 136 Cb -0.20 -0.80 0.06 0.00 0.56 0.00 0.00 36.38 36.00 2ghf s VAL 136 CO 0.11 -0.19 0.07 -0.75 -0.31 0.00 0.00 175.10 174.03 2ghf s LYS 137 N 2.46 0.25 0.06 4.82 2.47 -1.26 -4.74 119.74 123.79 2ghf s LYS 137 Ca 0.10 -0.18 0.02 0.00 -1.56 0.00 0.00 55.97 54.36 2ghf s LYS 137 Cb -0.15 -1.89 -0.04 0.00 -1.46 0.00 0.00 37.83 34.29 2ghf s LYS 137 CO -0.17 -0.65 0.07 1.03 0.16 0.00 0.00 175.35 175.78 2ghf s ARG 138 N 2.05 2.89 -0.22 4.03 3.00 -1.26 -4.20 118.95 125.24 2ghf s ARG 138 Ca 0.01 -0.66 0.00 0.00 0.00 0.00 0.00 55.73 55.09 2ghf s ARG 138 Cb -0.16 -2.74 0.00 0.00 0.00 0.00 0.00 34.95 32.05 2ghf s ARG 138 CO -0.09 0.58 0.00 0.09 0.00 0.00 0.00 175.30 175.89 2ghf n ASN 139 N 0.67 -4.10 0.00 0.23 3.02 -1.26 -4.87 115.26 108.95 2ghf n ASN 139 Ca -0.10 0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 2ghf n ASN 139 Cb 0.52 -1.78 0.00 0.00 -0.61 0.00 0.00 39.78 37.90 2ghf n ASN 139 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2ghf n ASN 140 N -0.11 0.30 -4.97 6.41 3.02 -1.26 -4.86 115.26 113.79 2ghf n ASN 140 Ca -0.02 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.32 2ghf n ASN 140 Cb 0.21 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.40 2ghf n ASN 140 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ghf s GLN 141 N 2.52 2.78 -0.43 3.52 0.00 -1.22 -4.87 119.66 121.96 2ghf s GLN 141 Ca 0.00 -0.75 -0.19 0.00 -0.00 0.00 0.00 55.36 54.42 2ghf s GLN 141 Cb 0.00 -2.56 0.02 0.00 0.00 0.00 0.00 33.01 30.47 2ghf s GLN 141 CO 0.00 -0.47 0.54 0.95 0.00 0.00 0.00 175.29 176.31 2ghf s THR 142 N -2.61 4.96 0.13 3.63 -4.23 -1.26 -4.36 115.64 111.91 2ghf s THR 142 Ca 0.53 -0.14 0.06 0.00 -1.18 0.00 0.00 61.69 60.97 2ghf s THR 142 Cb -0.10 -4.13 -0.04 0.00 1.34 0.00 0.00 72.50 69.57 2ghf s THR 142 CO 0.37 -0.52 -0.15 0.27 -0.54 0.00 0.00 174.62 174.05 2ghf s ILE 143 N 2.48 1.43 -0.19 2.99 -5.25 -1.26 -4.54 121.20 116.85 2ghf s ILE 143 Ca 0.17 -1.79 -0.21 0.00 -0.99 0.00 0.00 60.65 57.82 2ghf s ILE 143 Cb -0.16 -1.63 -0.02 0.00 2.95 0.00 0.00 42.46 43.60 2ghf s ILE 143 CO 0.16 -0.42 0.66 -0.36 -1.79 0.00 0.00 174.94 173.19 2ghf s PHE 144 N -2.22 3.38 -0.04 1.37 0.40 0.14 -3.23 117.98 117.79 2ghf s PHE 144 Ca 0.11 0.98 -0.14 0.00 -0.60 0.00 0.00 56.93 57.28 2ghf s PHE 144 Cb -0.04 -2.83 -0.05 0.00 0.51 0.00 0.00 43.02 40.60 2ghf s PHE 144 CO 0.04 -0.18 0.38 -1.21 0.70 0.00 0.00 175.22 174.94 2ghf s GLU 145 N 1.95 3.96 -0.24 0.44 2.02 0.14 -0.87 118.70 126.09 2ghf s GLU 145 Ca 0.30 0.34 0.01 0.00 0.02 0.00 0.00 54.97 55.65 2ghf s GLU 145 Cb -0.16 -3.26 0.04 0.00 0.10 0.00 0.00 34.13 30.85 2ghf s GLU 145 CO 0.11 0.59 -0.11 -1.14 0.02 0.00 0.00 175.26 174.73 2ghf s GLN 146 N -0.73 2.55 0.26 1.61 0.74 0.19 0.27 119.66 124.55 2ghf s GLN 146 Ca 0.23 -1.15 0.09 0.00 0.05 0.00 0.00 55.36 54.58 2ghf s GLN 146 Cb -0.16 -2.86 -0.04 0.00 1.10 0.00 0.00 33.01 31.05 2ghf s GLN 146 CO 0.11 -0.46 0.05 0.99 -0.55 0.00 0.00 175.29 175.44 2ghf s THR 147 N 1.20 3.74 0.16 -0.34 2.01 -0.64 -2.38 115.64 119.40 2ghf s THR 147 Ca -0.04 -1.74 0.05 0.00 0.31 0.00 0.00 61.69 60.28 2ghf s THR 147 Cb -0.18 -3.00 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 2ghf s THR 147 CO -0.06 -0.35 0.11 -0.63 -0.69 0.00 0.00 174.62 172.99 2ghf s ILE 148 N -2.23 4.36 -2.12 1.82 1.01 -1.26 0.56 121.20 123.33 2ghf s ILE 148 Ca 0.32 -1.10 0.21 0.00 0.00 0.00 0.00 60.65 60.07 2ghf s ILE 148 Cb -0.07 -3.20 0.53 0.00 0.01 0.00 0.00 42.46 39.73 2ghf s ILE 148 CO 0.21 -0.08 1.46 -0.46 0.00 0.00 0.00 174.94 176.08 2ghf n ASN 149 N -0.21 3.33 0.00 3.58 2.04 -1.22 -4.48 115.26 118.30 2ghf n ASN 149 Ca -0.09 -1.98 0.00 0.00 -0.44 0.00 0.00 54.58 52.07 2ghf n ASN 149 Cb 0.54 -0.37 0.00 0.00 -2.53 0.00 0.00 39.78 37.42 2ghf n ASN 149 CO 0.00 0.00 0.00 -0.67 -0.44 0.00 0.00 177.26 176.15 2ghf n ASP 150 N 1.34 0.00 -0.64 0.53 2.03 -1.26 -4.89 116.55 113.66 2ghf n ASP 150 Ca 0.21 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.52 2ghf n ASP 150 Cb 0.54 0.39 0.04 0.00 -0.72 0.00 0.00 41.12 41.38 2ghf n ASP 150 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2ghf n LEU 151 N -2.49 1.48 0.28 -2.67 4.77 -1.26 -4.12 117.00 112.99 2ghf n LEU 151 Ca 0.00 -0.74 0.18 0.00 -0.03 0.00 0.00 56.01 55.42 2ghf n LEU 151 Cb 0.00 -0.52 0.97 0.00 -2.33 0.00 0.00 43.42 41.54 2ghf n LEU 151 CO 0.00 0.29 1.15 0.74 -1.33 0.00 0.00 177.39 178.24 2ghf h THR 152 N 0.41 0.32 0.00 -5.08 2.02 -1.90 -3.48 112.91 105.19 2ghf h THR 152 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2ghf h THR 152 Cb 0.65 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 2ghf h THR 152 CO 0.05 0.00 0.00 2.22 0.37 0.00 0.00 175.52 178.16