#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ghf h ALA -7 N 0.00 0.76 0.00 -5.12 0.00 -2.13 -3.49 119.26 109.28 2ghf h ALA -7 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2ghf h ALA -7 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2ghf h ALA -7 CO 0.00 0.90 0.00 0.72 0.00 0.00 0.00 179.25 180.87 2ghf n HIS -6 N -3.61 0.00 -3.75 0.00 -0.00 -1.26 -4.99 115.22 101.60 2ghf n HIS -6 Ca -0.01 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.35 2ghf n HIS -6 Cb 0.72 -0.60 -0.11 0.00 -0.00 0.00 0.00 29.99 30.00 2ghf n HIS -6 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2ghf s HIS -5 N -1.19 3.51 -0.12 4.41 5.65 -1.26 -5.06 115.29 121.22 2ghf s HIS -5 Ca 0.00 -2.55 -0.29 0.00 0.25 0.00 0.00 55.06 52.47 2ghf s HIS -5 Cb 0.00 -3.21 -0.03 0.00 -1.18 0.00 0.00 32.58 28.16 2ghf s HIS -5 CO 0.00 -0.92 1.35 -1.58 -0.65 0.00 0.00 174.74 172.94 2ghf s HIS -4 N 0.63 2.69 0.11 3.88 2.46 -1.26 -4.44 115.29 119.37 2ghf s HIS -4 Ca 0.12 0.84 0.00 0.00 0.47 0.00 0.00 55.06 56.49 2ghf s HIS -4 Cb -0.22 -3.59 0.00 0.00 -0.13 0.00 0.00 32.58 28.64 2ghf s HIS -4 CO -0.04 -2.16 0.00 1.58 -2.47 0.00 0.00 174.74 171.65 2ghf n HIS -3 N 6.52 -2.47 -2.75 3.88 -0.00 -1.26 -5.03 115.22 114.11 2ghf n HIS -3 Ca 0.14 0.39 -0.43 0.00 -0.00 0.00 0.00 57.72 57.83 2ghf n HIS -3 Cb 0.44 1.24 -0.02 0.00 -0.00 0.00 0.00 29.99 31.65 2ghf n HIS -3 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2ghf s HIS -2 N -2.00 2.91 0.00 1.57 0.09 -1.26 -2.57 115.29 114.02 2ghf s HIS -2 Ca 0.00 -1.31 0.00 0.00 -0.00 0.00 0.00 55.06 53.75 2ghf s HIS -2 Cb 0.00 -4.50 0.00 0.00 -0.00 0.00 0.00 32.58 28.08 2ghf s HIS -2 CO 0.00 -1.69 0.00 1.58 -0.00 0.00 0.00 174.74 174.63 2ghf n HIS -1 N 7.54 0.00 -1.64 1.40 -0.00 -1.26 -5.01 115.22 116.25 2ghf n HIS -1 Ca 0.32 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 58.08 2ghf n HIS -1 Cb 0.49 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.33 2ghf n HIS -1 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 2ghf n ASN 60 N -0.45 3.94 0.00 0.26 3.02 -1.06 -1.54 115.26 119.43 2ghf n ASN 60 Ca 0.00 0.71 0.00 0.00 -0.03 0.00 0.00 54.58 55.26 2ghf n ASN 60 Cb 0.00 -1.54 0.00 0.00 -0.61 0.00 0.00 39.78 37.63 2ghf n ASN 60 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ghf n GLN 61 N 7.87 -0.05 0.11 3.52 1.13 -1.26 -4.74 117.38 123.96 2ghf n GLN 61 Ca 0.23 0.01 -0.23 0.00 -1.94 0.00 0.00 57.00 55.06 2ghf n GLN 61 Cb 0.42 -3.48 -0.15 0.00 0.11 0.00 0.00 30.24 27.13 2ghf n GLN 61 CO 0.00 0.00 0.00 0.37 -1.44 0.00 0.00 177.06 175.99 2ghf h GLN 62 N 1.51 0.46 -4.73 -1.09 4.15 -1.67 -3.43 115.11 110.31 2ghf h GLN 62 Ca 0.00 -0.78 -0.69 0.00 0.77 0.00 0.00 58.65 57.95 2ghf h GLN 62 Cb 0.03 0.29 -0.30 0.00 0.21 0.00 0.00 27.48 27.70 2ghf h GLN 62 CO 0.00 1.37 -0.65 1.21 -1.93 0.00 0.00 178.83 178.83 2ghf s ASN 63 N -7.39 5.09 0.17 -0.69 2.47 -0.96 -4.92 114.94 108.70 2ghf s ASN 63 Ca -0.12 -1.16 0.26 0.00 0.42 0.00 0.00 52.86 52.26 2ghf s ASN 63 Cb 0.04 -1.79 0.66 0.00 -1.45 0.00 0.00 41.25 38.71 2ghf s ASN 63 CO 0.90 -0.28 1.62 1.17 -3.72 0.00 0.00 177.10 176.79 2ghf n LYS 64 N 4.73 0.26 0.00 0.43 4.81 -1.26 -4.91 118.16 122.21 2ghf n LYS 64 Ca -0.13 0.16 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 2ghf n LYS 64 Cb 0.44 -1.75 0.00 0.00 0.02 0.00 0.00 35.03 33.74 2ghf n LYS 64 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2ghf n LYS 65 N -2.17 0.00 0.00 1.64 3.00 -1.26 -4.37 118.16 115.00 2ghf n LYS 65 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 2ghf n LYS 65 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.46 2ghf n LYS 65 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 2ghf n VAL 66 N 0.00 0.00 0.05 3.15 3.14 -1.26 -4.86 118.33 118.55 2ghf n VAL 66 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2ghf n VAL 66 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2ghf n VAL 66 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 2ghf n GLU 67 N -0.09 0.00 -3.07 1.45 0.28 -1.26 -5.03 120.64 112.91 2ghf n GLU 67 Ca 0.00 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 57.01 2ghf n GLU 67 Cb 0.00 -0.41 -0.00 0.00 1.43 0.00 0.00 31.44 32.45 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 -4.44 -1.34 0.00 -1.84 0.00 -1.26 -5.05 107.32 93.39 2ghf s GLY 68 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 44.72 45.10 2ghf s GLY 68 CO 0.00 3.81 0.00 0.61 0.00 0.00 0.00 173.10 177.52 2ghf n GLY 69 N 4.09 0.50 3.36 0.20 0.00 -1.26 -3.89 105.19 108.20 2ghf n GLY 69 Ca 0.11 -1.62 -0.40 0.00 0.00 0.00 0.00 46.02 44.11 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 -3.06 3.24 -0.25 1.61 2.02 0.50 -4.80 117.35 116.61 2ghf s TYR 70 Ca 0.00 -1.00 -0.15 0.00 -0.37 0.00 0.00 57.07 55.54 2ghf s TYR 70 Cb 0.00 -2.41 -0.04 0.00 -0.40 0.00 0.00 41.96 39.11 2ghf s TYR 70 CO 0.00 -0.65 0.39 -2.00 -1.57 0.00 0.00 175.55 171.73 2ghf s GLU 71 N 1.53 4.07 0.63 -0.62 2.12 -1.26 -2.41 118.70 122.77 2ghf s GLU 71 Ca 0.02 0.11 -0.16 0.00 0.36 0.00 0.00 54.97 55.29 2ghf s GLU 71 Cb -0.19 -3.62 -0.01 0.00 0.26 0.00 0.00 34.13 30.57 2ghf s GLU 71 CO 0.06 -0.21 1.13 0.00 -0.54 0.00 0.00 175.26 175.70 2ghf h LYS 73 N 0.35 0.31 -0.01 0.00 3.64 -0.87 -3.29 116.57 116.70 2ghf h LYS 73 Ca -0.48 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 58.81 2ghf h LYS 73 Cb 1.26 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2ghf h LYS 73 CO 0.54 0.51 -0.58 2.48 -2.27 0.00 0.00 179.45 180.13 2ghf n TYR 74 N -4.18 0.00 -4.05 1.91 4.11 -1.26 -4.47 117.16 109.22 2ghf n TYR 74 Ca -0.01 0.00 -0.07 0.00 -0.00 0.00 0.00 57.90 57.82 2ghf n TYR 74 Cb 0.35 -0.02 -0.10 0.00 -0.00 0.00 0.00 39.34 39.56 2ghf n TYR 74 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2ghf n THR 76 N 0.22 2.68 -3.92 0.00 -2.24 -1.26 -4.08 114.28 105.68 2ghf n THR 76 Ca -0.15 -1.54 -0.35 0.00 -2.27 0.00 0.00 64.05 59.74 2ghf n THR 76 Cb 0.61 -0.28 -0.06 0.00 -2.10 0.00 0.00 70.33 68.50 2ghf n THR 76 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2ghf s PHE 77 N -2.81 3.54 0.01 4.78 0.08 -1.26 -5.03 117.98 117.29 2ghf s PHE 77 Ca 0.52 0.41 0.02 0.00 0.12 0.00 0.00 56.93 58.00 2ghf s PHE 77 Cb 0.40 -1.87 -0.01 0.00 -0.57 0.00 0.00 43.02 40.98 2ghf s PHE 77 CO 0.14 0.67 -0.05 -1.14 -0.10 0.00 0.00 175.22 174.74 2ghf s GLN 78 N -1.54 0.41 -0.08 0.44 0.74 -1.26 -3.64 119.66 114.74 2ghf s GLN 78 Ca 0.22 -0.29 -0.04 0.00 0.05 0.00 0.00 55.36 55.31 2ghf s GLN 78 Cb -0.12 -0.35 0.04 0.00 1.10 0.00 0.00 33.01 33.68 2ghf s GLN 78 CO 0.12 0.09 0.18 -0.08 -0.55 0.00 0.00 175.29 175.05 2ghf s THR 79 N -0.37 -0.08 -1.57 -0.34 -1.32 -1.01 -4.88 115.64 106.08 2ghf s THR 79 Ca -0.01 0.19 0.19 0.00 -1.21 0.00 0.00 61.69 60.86 2ghf s THR 79 Cb -0.03 -0.29 0.39 0.00 -1.51 0.00 0.00 72.50 71.05 2ghf s THR 79 CO -0.00 0.08 1.59 -0.81 -2.21 0.00 0.00 174.62 173.27 2ghf n PRO 80 N 4.38 0.36 -3.09 7.08 -0.04 -1.25 -0.37 135.00 142.06 2ghf n PRO 80 Ca -0.23 0.08 -0.43 0.00 -0.04 0.00 0.00 63.50 62.88 2ghf n PRO 80 Cb 0.52 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.41 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 -2.43 6.36 0.26 3.54 1.01 -1.26 -4.83 116.67 119.32 2ghf s ASP 81 Ca 0.21 -0.19 -0.02 0.00 0.71 0.00 0.00 52.55 53.26 2ghf s ASP 81 Cb 0.13 -2.33 0.46 0.00 1.01 0.00 0.00 42.92 42.19 2ghf s ASP 81 CO 0.28 -0.75 1.83 0.25 0.21 0.00 0.00 175.17 176.98 2ghf h LEU 82 N 9.68 0.80 -0.36 1.23 7.12 -1.98 0.28 115.31 132.07 2ghf h LEU 82 Ca -0.26 0.04 0.00 0.00 0.13 0.00 0.00 57.88 57.80 2ghf h LEU 82 Cb 1.10 -0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 41.10 2ghf h LEU 82 CO 0.89 0.45 0.23 -1.13 -0.13 0.00 0.00 178.44 178.74 2ghf h ASN 83 N 0.90 0.43 0.46 1.25 -1.24 -1.96 0.30 115.58 115.72 2ghf h ASN 83 Ca 0.44 -0.04 -0.12 0.00 0.71 0.00 0.00 56.30 57.29 2ghf h ASN 83 Cb 0.39 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.32 2ghf h ASN 83 CO -0.25 0.34 -0.54 0.24 -1.29 0.00 0.00 177.43 175.93 2ghf h MET 84 N 0.48 0.09 0.44 6.67 2.86 -1.71 0.23 114.93 123.99 2ghf h MET 84 Ca 0.13 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 2ghf h MET 84 Cb -0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.65 2ghf h MET 84 CO -0.03 0.60 -0.21 0.35 1.06 0.00 0.00 176.91 178.69 2ghf h PHE 85 N 0.07 -0.55 0.00 -0.22 3.57 0.40 -0.79 116.94 119.42 2ghf h PHE 85 Ca -0.00 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.41 2ghf h PHE 85 Cb 0.97 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.88 2ghf h PHE 85 CO 0.01 -0.23 -0.34 0.00 -2.23 0.00 0.00 178.31 175.52 2ghf h THR 86 N -0.84 0.85 0.28 4.41 1.03 -0.27 0.20 112.91 118.57 2ghf h THR 86 Ca -0.06 -1.37 -0.01 0.00 -0.01 0.00 0.00 66.41 64.96 2ghf h THR 86 Cb 0.56 1.84 0.00 0.00 -1.07 0.00 0.00 68.15 69.48 2ghf h THR 86 CO 0.10 0.33 -0.14 0.15 -0.01 0.00 0.00 175.52 175.95 2ghf h PHE 87 N 0.00 -0.35 0.00 0.00 3.57 -0.50 0.19 116.94 119.85 2ghf h PHE 87 Ca -0.00 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.41 2ghf h PHE 87 Cb 0.81 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 2ghf h PHE 87 CO 0.00 -0.03 -0.37 1.12 -2.23 0.00 0.00 178.31 176.80 2ghf h HIS 88 N -0.70 0.00 0.34 0.41 2.07 -0.87 -0.40 115.15 116.00 2ghf h HIS 88 Ca -0.04 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.46 2ghf h HIS 88 Cb 0.48 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.46 2ghf h HIS 88 CO 0.02 0.37 -0.16 0.28 -3.07 0.00 0.00 177.93 175.37 2ghf h VAL 89 N 0.00 0.66 0.00 6.12 2.07 -0.89 0.19 116.25 124.40 2ghf h VAL 89 Ca -0.00 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 2ghf h VAL 89 Cb 0.69 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 2ghf h VAL 89 CO 0.05 0.09 -0.02 -0.78 0.02 0.00 0.00 177.57 176.93 2ghf h ASP 90 N -0.74 0.00 0.00 0.57 1.82 -0.24 0.58 116.42 118.41 2ghf h ASP 90 Ca -0.05 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.59 2ghf h ASP 90 Cb 0.50 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.51 2ghf h ASP 90 CO 0.08 0.02 -0.03 -1.28 -1.61 0.00 0.00 179.24 176.42 2ghf h SER 91 N 0.00 0.02 0.00 2.28 0.87 -0.98 -3.34 113.55 112.40 2ghf h SER 91 Ca -0.00 -0.89 -0.31 0.00 -1.23 0.00 0.00 61.79 59.36 2ghf h SER 91 Cb 0.04 -0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 61.93 2ghf h SER 91 CO 0.00 0.91 -2.16 -0.62 -0.53 0.00 0.00 176.83 174.43 2ghf n GLU 92 N -4.64 1.11 -3.15 2.24 -0.58 0.67 -4.71 120.64 111.57 2ghf n GLU 92 Ca -0.10 0.02 -0.18 0.00 -0.42 0.00 0.00 57.16 56.48 2ghf n GLU 92 Cb 0.45 -1.43 -0.03 0.00 -0.57 0.00 0.00 31.44 29.86 2ghf n GLU 92 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 2ghf n HIS 93 N -2.73 0.52 -0.07 -0.32 1.44 0.19 -4.96 115.22 109.29 2ghf n HIS 93 Ca -0.30 -3.79 -0.03 0.00 -2.01 0.00 0.00 57.72 51.59 2ghf n HIS 93 Cb 1.01 -0.42 0.20 0.00 0.12 0.00 0.00 29.99 30.90 2ghf n HIS 93 CO 0.00 0.00 0.00 -1.00 -2.81 0.00 0.00 176.34 172.53 2ghf h PRO 94 N 3.00 0.69 -4.03 -1.40 0.13 -1.45 -3.39 132.00 125.54 2ghf h PRO 94 Ca 0.10 -0.18 -0.59 0.00 -0.87 0.00 0.00 66.00 64.46 2ghf h PRO 94 Cb 0.94 -0.08 -0.39 0.00 0.13 0.00 0.00 31.00 31.60 2ghf h PRO 94 CO 0.53 0.73 -0.77 1.21 -0.23 0.00 0.00 178.00 179.46 2ghf s ASN 95 N -6.69 3.71 -0.15 1.44 3.84 -1.26 -4.91 114.94 110.92 2ghf s ASN 95 Ca -0.09 -1.24 0.00 0.00 0.21 0.00 0.00 52.86 51.75 2ghf s ASN 95 Cb 0.15 -1.01 -0.00 0.00 -0.55 0.00 0.00 41.25 39.83 2ghf s ASN 95 CO 0.80 -0.29 -0.15 0.68 -2.79 0.00 0.00 177.10 175.35 2ghf s VAL 96 N 1.52 2.74 -0.03 -5.21 -7.23 -1.26 -5.09 120.40 105.83 2ghf s VAL 96 Ca -0.01 -0.75 0.01 0.00 -1.81 0.00 0.00 61.98 59.43 2ghf s VAL 96 Cb -0.18 -2.16 0.02 0.00 0.56 0.00 0.00 36.38 34.62 2ghf s VAL 96 CO -0.10 0.51 -0.04 0.68 -0.31 0.00 0.00 175.10 175.84 2ghf s VAL 97 N 0.75 0.45 0.00 1.32 -7.23 -1.26 -2.87 120.40 111.55 2ghf s VAL 97 Ca -0.06 -0.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.00 2ghf s VAL 97 Cb -0.15 -0.46 0.00 0.00 0.56 0.00 0.00 36.38 36.32 2ghf s VAL 97 CO 0.01 0.19 0.00 -0.11 -0.31 0.00 0.00 175.10 174.88 2ghf n LEU 98 N 3.80 0.00 0.00 1.32 7.94 -1.26 -4.96 117.00 123.83 2ghf n LEU 98 Ca -0.23 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.67 2ghf n LEU 98 Cb 0.52 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.47 2ghf n LEU 98 CO 0.24 0.00 0.00 -3.20 -1.11 0.00 0.00 177.39 173.32 2ghf n ASN 99 N 0.00 0.00 -3.72 1.96 2.85 -1.26 -5.01 115.26 110.08 2ghf n ASN 99 Ca 0.00 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.35 2ghf n ASN 99 Cb 0.00 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 40.91 2ghf n ASN 99 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2ghf s SER 100 N 1.00 -0.44 0.32 1.20 1.04 -1.26 -4.66 113.70 110.90 2ghf s SER 100 Ca 0.00 0.81 -0.19 0.00 0.48 0.00 0.00 55.95 57.05 2ghf s SER 100 Cb 0.00 0.76 0.05 0.00 0.10 0.00 0.00 66.02 66.92 2ghf s SER 100 CO 0.00 -0.16 0.80 -0.44 0.98 0.00 0.00 173.24 174.42 2ghf s SER 101 N 0.77 -0.10 -0.03 7.02 0.01 -1.26 -5.02 113.70 115.08 2ghf s SER 101 Ca -0.05 -0.88 0.05 0.00 1.31 0.00 0.00 55.95 56.39 2ghf s SER 101 Cb -0.06 0.76 -0.02 0.00 0.21 0.00 0.00 66.02 66.91 2ghf s SER 101 CO -0.06 -1.47 -0.18 -0.31 0.41 0.00 0.00 173.24 171.64 2ghf s TYR 102 N -2.90 2.58 -0.00 2.43 1.51 -1.26 -0.45 117.35 119.26 2ghf s TYR 102 Ca 0.14 -0.25 0.04 0.00 -1.01 0.00 0.00 57.07 55.99 2ghf s TYR 102 Cb -0.05 -1.57 -0.01 0.00 -0.11 0.00 0.00 41.96 40.21 2ghf s TYR 102 CO 0.09 0.12 -0.12 0.54 -1.11 0.00 0.00 175.55 175.08 2ghf s VAL 103 N -0.71 0.91 -0.58 0.71 0.11 -0.20 -2.32 120.40 118.32 2ghf s VAL 103 Ca 0.11 -0.57 -0.27 0.00 -2.93 0.00 0.00 61.98 58.32 2ghf s VAL 103 Cb -0.10 -0.78 0.03 0.00 -1.53 0.00 0.00 36.38 34.00 2ghf s VAL 103 CO 0.00 0.20 1.15 0.00 -3.33 0.00 0.00 175.10 173.12 2ghf h VAL 105 N 6.13 0.90 -0.63 0.00 2.07 -1.78 1.05 116.25 123.98 2ghf h VAL 105 Ca -0.25 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 2ghf h VAL 105 Cb 1.06 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 2ghf h VAL 105 CO 1.17 0.03 0.31 -0.33 0.02 0.00 0.00 177.57 178.77 2ghf h GLU 106 N 0.17 0.90 0.00 1.57 4.39 -1.89 -3.01 114.58 116.71 2ghf h GLU 106 Ca 0.17 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.74 2ghf h GLU 106 Cb 0.46 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2ghf h GLU 106 CO -0.03 0.72 -0.87 0.00 -1.16 0.00 0.00 179.01 177.67 2ghf n ASN 108 N -1.45 -3.83 -3.90 0.00 5.03 0.35 -5.00 115.26 106.46 2ghf n ASN 108 Ca 0.03 -0.94 -0.24 0.00 0.87 0.00 0.00 54.58 54.29 2ghf n ASN 108 Cb 0.28 -3.66 -0.17 0.00 -1.02 0.00 0.00 39.78 35.22 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 -3.58 1.16 -0.09 3.10 -0.12 -1.09 -4.94 117.98 112.43 2ghf s PHE 109 Ca 0.30 -0.47 -0.13 0.00 -0.05 0.00 0.00 56.93 56.58 2ghf s PHE 109 Cb -0.10 -1.00 -0.05 0.00 -0.63 0.00 0.00 43.02 41.25 2ghf s PHE 109 CO 0.84 -0.36 0.32 -0.51 -0.05 0.00 0.00 175.22 175.46 2ghf s LEU 110 N 1.39 4.36 0.26 -1.99 1.43 -1.26 -1.45 118.68 121.41 2ghf s LEU 110 Ca -0.02 0.69 0.05 0.00 -1.03 0.00 0.00 54.13 53.82 2ghf s LEU 110 Cb -0.13 -2.41 -0.06 0.00 0.03 0.00 0.00 46.19 43.62 2ghf s LEU 110 CO -0.04 0.24 -0.04 0.28 0.23 0.00 0.00 176.35 177.03 2ghf s THR 111 N -0.41 1.41 -2.30 5.49 -1.32 -0.98 -0.30 115.64 117.22 2ghf s THR 111 Ca 0.19 -2.09 0.29 0.00 -1.21 0.00 0.00 61.69 58.87 2ghf s THR 111 Cb -0.14 -2.40 0.59 0.00 -1.51 0.00 0.00 72.50 69.03 2ghf s THR 111 CO 0.08 -0.31 1.83 2.29 -2.21 0.00 0.00 174.62 176.29 2ghf n LYS 112 N -0.52 1.43 -3.88 7.08 2.85 -1.26 -4.23 118.16 119.63 2ghf n LYS 112 Ca -0.05 -0.71 -0.12 0.00 -1.05 0.00 0.00 58.31 56.38 2ghf n LYS 112 Cb 0.64 -1.49 -0.13 0.00 -0.65 0.00 0.00 35.03 33.40 2ghf n LYS 112 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 177.40 176.37 2ghf s ARG 113 N -2.07 0.09 0.55 -1.58 1.70 -1.26 -5.01 118.95 111.37 2ghf s ARG 113 Ca 0.38 -0.06 0.32 0.00 -0.47 0.00 0.00 55.73 55.91 2ghf s ARG 113 Cb 0.21 0.04 1.49 0.00 -0.57 0.00 0.00 34.95 36.12 2ghf s ARG 113 CO 0.36 -0.02 2.04 0.10 -1.08 0.00 0.00 175.30 176.71 2ghf h TYR 114 N 5.83 0.00 -0.90 5.89 -0.00 -1.93 -3.06 116.97 122.79 2ghf h TYR 114 Ca -0.26 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.46 2ghf h TYR 114 Cb 1.21 0.00 -0.04 0.00 -0.00 0.00 0.00 36.73 37.89 2ghf h TYR 114 CO 0.45 0.07 0.52 -0.44 -0.00 0.00 0.00 178.16 178.76 2ghf h ASP 115 N 0.00 1.10 0.40 0.10 5.19 -1.98 -2.35 116.42 118.87 2ghf h ASP 115 Ca -0.00 -0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.31 2ghf h ASP 115 Cb 0.43 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 39.66 2ghf h ASP 115 CO 0.01 0.86 -0.07 0.00 -3.12 0.00 0.00 179.24 176.92 2ghf h ALA 116 N 1.29 1.18 0.00 3.45 0.00 -1.86 0.94 119.26 124.25 2ghf h ALA 116 Ca 0.32 -0.06 -0.23 0.00 0.00 0.00 0.00 54.91 54.94 2ghf h ALA 116 Cb -0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2ghf h ALA 116 CO -0.06 0.08 -1.20 -0.07 0.00 0.00 0.00 179.25 178.00 2ghf h LEU 117 N 0.00 0.00 -0.03 0.00 -0.00 -1.62 -2.53 115.31 111.13 2ghf h LEU 117 Ca -0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.77 2ghf h LEU 117 Cb 0.28 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.95 2ghf h LEU 117 CO 0.01 0.98 -0.41 0.28 -0.00 0.00 0.00 178.44 179.30 2ghf h SER 118 N 0.00 0.42 1.43 -0.43 0.02 -0.69 -3.05 113.55 111.25 2ghf h SER 118 Ca -0.10 -0.71 0.00 0.00 -0.84 0.00 0.00 61.79 60.14 2ghf h SER 118 Cb 1.83 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 64.24 2ghf h SER 118 CO 0.11 1.07 0.00 -0.33 -1.14 0.00 0.00 176.83 176.54 2ghf h GLU 119 N -0.20 0.00 0.07 3.45 5.08 -1.11 -3.34 114.58 118.53 2ghf h GLU 119 Ca -0.04 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2ghf h GLU 119 Cb 1.10 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.30 2ghf h GLU 119 CO 0.08 0.00 -0.52 1.25 -1.00 0.00 0.00 179.01 178.82 2ghf h HIS 120 N 0.00 -1.50 0.00 4.33 2.76 -1.33 0.13 115.15 119.54 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 0.71 0.65 0.00 0.00 1.55 0.00 0.00 27.41 30.32 2ghf h HIS 120 CO 0.00 -0.58 0.00 -2.95 -1.30 0.00 0.00 177.93 173.10 2ghf h ASN 121 N -0.71 0.00 0.16 3.26 -1.07 -1.69 0.86 115.58 116.39 2ghf h ASN 121 Ca 0.01 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.37 2ghf h ASN 121 Cb 0.74 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.99 2ghf h ASN 121 CO -0.31 0.00 -0.08 0.25 0.07 0.00 0.00 177.43 177.36 2ghf h LEU 122 N 0.00 -0.18 0.00 6.14 5.85 -1.32 -3.09 115.31 122.71 2ghf h LEU 122 Ca 0.00 -0.36 -0.23 0.00 0.84 0.00 0.00 57.88 58.13 2ghf h LEU 122 Cb 0.38 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 2ghf h LEU 122 CO 0.00 0.38 -1.85 2.29 -0.34 0.00 0.00 178.44 178.92 2ghf n LYS 123 N -4.92 0.36 -0.06 1.25 2.85 0.32 -4.32 118.16 113.63 2ghf n LYS 123 Ca -0.08 0.10 -0.13 0.00 -1.05 0.00 0.00 58.31 57.15 2ghf n LYS 123 Cb 0.26 -1.24 -0.12 0.00 -0.65 0.00 0.00 35.03 33.29 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 -2.38 5.58 -1.99 0.28 -3.37 116.97 114.95 2ghf h TYR 124 Ca -0.34 -0.00 -0.66 0.00 2.00 0.00 0.00 58.73 59.73 2ghf h TYR 124 Cb 1.47 0.00 -0.38 0.00 2.00 0.00 0.00 36.73 39.82 2ghf h TYR 124 CO 0.00 0.88 -0.23 0.72 -0.00 0.00 0.00 178.16 179.54 2ghf n HIS 125 N -4.65 3.29 -2.45 4.88 8.25 0.20 -4.94 115.22 119.80 2ghf n HIS 125 Ca -0.09 -3.74 -0.34 0.00 -0.26 0.00 0.00 57.72 53.29 2ghf n HIS 125 Cb 0.43 -0.74 -0.03 0.00 1.12 0.00 0.00 29.99 30.77 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 -2.58 3.70 0.00 -0.41 0.04 -1.17 -4.33 135.00 130.26 2ghf s PRO 126 Ca 0.38 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.77 2ghf s PRO 126 Cb 0.12 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.58 2ghf s PRO 126 CO 0.02 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 176.95 2ghf n GLY 127 N -0.35 3.06 3.67 0.56 0.00 -1.26 -5.03 105.19 105.84 2ghf n GLY 127 Ca 0.09 -0.42 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 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 1.90 -0.39 1.61 4.04 -1.26 -5.12 118.70 119.47 2ghf s GLU 128 Ca 0.00 -1.41 0.01 0.00 0.04 0.00 0.00 54.97 53.61 2ghf s GLU 128 Cb 0.00 0.53 0.13 0.00 0.02 0.00 0.00 34.13 34.81 2ghf s GLU 128 CO 0.00 -0.84 0.21 -2.00 -1.84 0.00 0.00 175.26 170.79 2ghf s GLU 129 N -3.21 0.94 -0.35 -4.83 2.12 -1.26 -4.62 118.70 107.50 2ghf s GLU 129 Ca 0.21 -1.62 0.04 0.00 0.36 0.00 0.00 54.97 53.96 2ghf s GLU 129 Cb -0.03 -1.92 0.16 0.00 0.26 0.00 0.00 34.13 32.61 2ghf s GLU 129 CO 0.13 -1.15 0.45 -0.80 -0.54 0.00 0.00 175.26 173.35 2ghf s ASN 130 N 0.81 0.18 0.03 -1.70 0.01 -1.26 -5.14 114.94 107.86 2ghf s ASN 130 Ca 0.16 -0.92 0.02 0.00 -0.71 0.00 0.00 52.86 51.41 2ghf s ASN 130 Cb -0.23 1.12 -0.04 0.00 0.41 0.00 0.00 41.25 42.52 2ghf s ASN 130 CO -0.04 -0.27 0.04 -0.36 -1.51 0.00 0.00 177.10 174.96 2ghf s PHE 131 N 1.96 3.16 0.34 2.20 0.08 -1.26 -3.41 117.98 121.05 2ghf s PHE 131 Ca 0.14 0.11 0.09 0.00 0.12 0.00 0.00 56.93 57.38 2ghf s PHE 131 Cb -0.11 -1.66 -0.05 0.00 -0.57 0.00 0.00 43.02 40.62 2ghf s PHE 131 CO -0.14 0.51 0.06 -1.59 -0.10 0.00 0.00 175.22 173.95 2ghf s LYS 132 N -1.90 2.20 -0.03 0.44 -2.85 0.25 -4.95 119.74 112.91 2ghf s LYS 132 Ca 0.24 -1.66 0.05 0.00 -1.00 0.00 0.00 55.97 53.60 2ghf s LYS 132 Cb -0.12 -2.03 -0.01 0.00 -2.06 0.00 0.00 37.83 33.61 2ghf s LYS 132 CO 0.15 0.13 -0.19 -0.48 0.10 0.00 0.00 175.35 175.06 2ghf s LEU 133 N -3.77 1.99 -0.12 2.77 2.34 -1.26 -1.44 118.68 119.19 2ghf s LEU 133 Ca 0.36 -0.36 -0.06 0.00 0.06 0.00 0.00 54.13 54.13 2ghf s LEU 133 Cb -0.01 -1.00 0.05 0.00 -0.56 0.00 0.00 46.19 44.66 2ghf s LEU 133 CO 0.21 0.20 0.28 0.28 -1.06 0.00 0.00 176.35 176.26 2ghf s THR 134 N -0.22 -0.03 -0.45 5.48 -1.32 0.84 -4.97 115.64 114.96 2ghf s THR 134 Ca 0.02 0.13 -0.15 0.00 -1.21 0.00 0.00 61.69 60.47 2ghf s THR 134 Cb -0.10 -0.43 0.06 0.00 -1.51 0.00 0.00 72.50 70.52 2ghf s THR 134 CO 0.01 0.05 0.37 -0.32 -2.21 0.00 0.00 174.62 172.52 2ghf s MET 135 N 1.22 2.97 -0.25 7.08 1.75 -1.26 0.86 119.30 131.67 2ghf s MET 135 Ca -0.09 -1.25 -0.02 0.00 -1.25 0.00 0.00 55.69 53.08 2ghf s MET 135 Cb -0.09 -4.08 0.12 0.00 2.84 0.00 0.00 34.83 33.61 2ghf s MET 135 CO -0.09 -0.94 0.30 0.14 -0.65 0.00 0.00 175.02 173.78 2ghf s VAL 136 N 1.65 -0.44 -0.16 10.11 -7.23 -1.20 -4.93 120.40 118.19 2ghf s VAL 136 Ca 0.04 -0.23 -0.05 0.00 -1.81 0.00 0.00 61.98 59.94 2ghf s VAL 136 Cb -0.23 -0.83 0.06 0.00 0.56 0.00 0.00 36.38 35.94 2ghf s VAL 136 CO 0.08 -0.27 0.10 -0.75 -0.31 0.00 0.00 175.10 173.95 2ghf s LYS 137 N 2.41 0.06 0.22 4.82 2.47 -1.26 -4.77 119.74 123.69 2ghf s LYS 137 Ca 0.09 0.01 0.06 0.00 -1.56 0.00 0.00 55.97 54.58 2ghf s LYS 137 Cb -0.15 -1.59 -0.04 0.00 -1.46 0.00 0.00 37.83 34.60 2ghf s LYS 137 CO -0.21 -0.62 0.18 1.03 0.16 0.00 0.00 175.35 175.89 2ghf s ARG 138 N 2.17 2.92 0.00 4.03 3.00 -1.26 -4.13 118.95 125.67 2ghf s ARG 138 Ca 0.03 -0.99 0.00 0.00 0.00 0.00 0.00 55.73 54.77 2ghf s ARG 138 Cb -0.15 -2.59 0.00 0.00 0.00 0.00 0.00 34.95 32.20 2ghf s ARG 138 CO -0.09 0.43 0.00 -1.71 0.00 0.00 0.00 175.30 173.93 2ghf n ASN 139 N -0.89 0.00 -1.98 0.23 2.85 -1.26 -4.78 115.26 109.43 2ghf n ASN 139 Ca -0.08 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.39 2ghf n ASN 139 Cb 0.57 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.59 2ghf n ASN 139 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2ghf n ASN 140 N 1.76 0.00 -4.85 1.20 3.02 -1.26 -4.88 115.26 110.25 2ghf n ASN 140 Ca 0.00 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.33 2ghf n ASN 140 Cb 0.00 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.24 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 1.35 2.11 -0.44 3.52 0.00 -1.14 -4.88 119.66 120.18 2ghf s GLN 141 Ca 0.00 -1.13 -0.20 0.00 -0.00 0.00 0.00 55.36 54.03 2ghf s GLN 141 Cb 0.00 -2.46 0.02 0.00 0.00 0.00 0.00 33.01 30.57 2ghf s GLN 141 CO 0.00 -1.06 0.58 0.95 0.00 0.00 0.00 175.29 175.76 2ghf s THR 142 N -2.90 4.90 0.11 3.63 -4.23 -1.26 -4.33 115.64 111.57 2ghf s THR 142 Ca 0.62 -0.05 0.05 0.00 -1.18 0.00 0.00 61.69 61.13 2ghf s THR 142 Cb -0.07 -4.16 -0.04 0.00 1.34 0.00 0.00 72.50 69.57 2ghf s THR 142 CO 0.41 -0.56 -0.11 0.27 -0.54 0.00 0.00 174.62 174.09 2ghf s ILE 143 N 2.62 1.12 -0.21 2.99 -5.25 -1.26 -4.58 121.20 116.63 2ghf s ILE 143 Ca 0.19 -1.73 -0.22 0.00 -0.99 0.00 0.00 60.65 57.90 2ghf s ILE 143 Cb -0.15 -1.50 -0.02 0.00 2.95 0.00 0.00 42.46 43.74 2ghf s ILE 143 CO 0.17 -0.54 0.70 -0.36 -1.79 0.00 0.00 174.94 173.12 2ghf s PHE 144 N -2.48 3.36 -0.03 1.37 0.08 0.40 -3.26 117.98 117.43 2ghf s PHE 144 Ca 0.08 1.01 -0.14 0.00 0.12 0.00 0.00 56.93 58.00 2ghf s PHE 144 Cb -0.03 -2.89 -0.05 0.00 -0.57 0.00 0.00 43.02 39.48 2ghf s PHE 144 CO 0.01 -0.24 0.39 -1.21 -0.10 0.00 0.00 175.22 174.07 2ghf s GLU 145 N 2.17 3.94 -0.26 0.44 2.02 0.25 -1.03 118.70 126.23 2ghf s GLU 145 Ca 0.31 0.36 -0.00 0.00 0.02 0.00 0.00 54.97 55.66 2ghf s GLU 145 Cb -0.16 -3.25 0.04 0.00 0.10 0.00 0.00 34.13 30.86 2ghf s GLU 145 CO 0.10 0.63 -0.07 -1.14 0.02 0.00 0.00 175.26 174.80 2ghf s GLN 146 N -0.85 2.62 0.23 1.61 0.74 0.18 -0.11 119.66 124.09 2ghf s GLN 146 Ca 0.23 -1.11 0.09 0.00 0.05 0.00 0.00 55.36 54.61 2ghf s GLN 146 Cb -0.16 -2.96 -0.04 0.00 1.10 0.00 0.00 33.01 30.94 2ghf s GLN 146 CO 0.12 -0.47 0.00 0.99 -0.55 0.00 0.00 175.29 175.38 2ghf s THR 147 N 1.25 3.56 0.18 -0.34 2.01 -0.52 -2.27 115.64 119.51 2ghf s THR 147 Ca -0.03 -1.73 0.04 0.00 0.31 0.00 0.00 61.69 60.28 2ghf s THR 147 Cb -0.18 -2.86 -0.03 0.00 0.01 0.00 0.00 72.50 69.44 2ghf s THR 147 CO -0.05 -0.28 0.29 -0.63 -0.69 0.00 0.00 174.62 173.26 2ghf s ILE 148 N -2.09 5.18 -2.10 1.82 1.01 -1.26 0.87 121.20 124.63 2ghf s ILE 148 Ca 0.30 -0.84 0.21 0.00 0.00 0.00 0.00 60.65 60.31 2ghf s ILE 148 Cb -0.07 -3.71 0.54 0.00 0.01 0.00 0.00 42.46 39.22 2ghf s ILE 148 CO 0.19 -0.17 1.47 -0.46 0.00 0.00 0.00 174.94 175.97 2ghf n ASN 149 N -0.79 3.39 0.05 3.58 2.04 -1.22 -4.64 115.26 117.67 2ghf n ASN 149 Ca -0.08 -1.99 0.00 0.00 -0.44 0.00 0.00 54.58 52.08 2ghf n ASN 149 Cb 0.55 -0.39 0.00 0.00 -2.53 0.00 0.00 39.78 37.41 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 1.37 -0.78 -0.17 0.53 -0.08 -1.26 -4.90 116.55 111.26 2ghf n ASP 150 Ca 0.21 0.19 0.00 0.00 -1.51 0.00 0.00 54.79 53.68 2ghf n ASP 150 Cb 0.55 1.02 0.00 0.00 2.34 0.00 0.00 41.12 45.03 2ghf n ASP 150 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2ghf n LEU 151 N -2.73 0.33 0.17 -2.67 4.77 -1.26 -3.32 117.00 112.30 2ghf n LEU 151 Ca 0.00 -0.17 0.13 0.00 -0.03 0.00 0.00 56.01 55.95 2ghf n LEU 151 Cb 0.00 -0.17 0.46 0.00 -2.33 0.00 0.00 43.42 41.38 2ghf n LEU 151 CO 0.00 0.08 0.89 0.74 -1.33 0.00 0.00 177.39 177.77 2ghf h THR 152 N 0.00 0.00 -0.03 -5.08 2.02 -1.91 -3.49 112.91 104.43 2ghf h THR 152 Ca 0.00 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 66.69 2ghf h THR 152 Cb 0.17 1.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 2ghf h THR 152 CO 0.00 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.38