#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 3.44 -0.09 3.17 0.00 -1.26 -5.05 121.76 121.98 2ghf s ALA -7 Ca 0.00 -1.60 -0.23 0.00 0.00 0.00 0.00 51.96 50.13 2ghf s ALA -7 Cb 0.00 -3.04 -0.03 0.00 0.00 0.00 0.00 23.12 20.05 2ghf s ALA -7 CO 0.00 -1.59 0.69 -1.58 0.00 0.00 0.00 175.76 173.28 2ghf s HIS -6 N 2.04 3.54 0.40 0.00 5.65 -1.26 -5.05 115.29 120.61 2ghf s HIS -6 Ca 0.10 1.19 0.07 0.00 0.25 0.00 0.00 55.06 56.68 2ghf s HIS -6 Cb -0.18 -2.80 -0.08 0.00 -1.18 0.00 0.00 32.58 28.34 2ghf s HIS -6 CO 0.12 0.04 -0.00 -3.38 -0.65 0.00 0.00 174.74 170.88 2ghf s HIS -5 N 0.99 2.51 0.14 3.88 -0.00 -1.26 -5.14 115.29 116.40 2ghf s HIS -5 Ca 0.36 -0.64 0.04 0.00 -0.00 0.00 0.00 55.06 54.82 2ghf s HIS -5 Cb -0.17 -1.72 -0.04 0.00 -0.00 0.00 0.00 32.58 30.65 2ghf s HIS -5 CO 0.16 0.46 0.12 -1.01 -0.00 0.00 0.00 174.74 174.48 2ghf s HIS -4 N -2.69 3.17 0.00 0.38 4.02 -1.26 -5.05 115.29 113.86 2ghf s HIS -4 Ca 0.35 0.02 -0.32 0.00 1.02 0.00 0.00 55.06 56.12 2ghf s HIS -4 Cb 0.09 -1.55 -0.11 0.00 -1.02 0.00 0.00 32.58 29.99 2ghf s HIS -4 CO 0.18 0.52 1.90 -2.39 1.02 0.00 0.00 174.74 175.97 2ghf n HIS -3 N -0.09 2.44 0.01 1.40 -0.00 -1.26 -4.88 115.22 112.84 2ghf n HIS -3 Ca -0.08 -0.16 0.02 0.00 -0.00 0.00 0.00 57.72 57.50 2ghf n HIS -3 Cb 0.54 -2.72 -0.10 0.00 -0.00 0.00 0.00 29.99 27.70 2ghf n HIS -3 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2ghf n HIS -2 N 6.67 0.59 0.26 -1.40 -0.00 -1.26 -4.44 115.22 115.65 2ghf n HIS -2 Ca 0.21 0.19 -0.12 0.00 -0.00 0.00 0.00 57.72 58.00 2ghf n HIS -2 Cb 0.35 -0.93 -0.06 0.00 -0.00 0.00 0.00 29.99 29.35 2ghf n HIS -2 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2ghf h HIS -1 N 0.00 -0.66 -2.24 4.41 2.76 -2.03 -3.35 115.15 114.04 2ghf h HIS -1 Ca -0.18 -0.02 -0.53 0.00 -2.20 0.00 0.00 60.37 57.45 2ghf h HIS -1 Cb 1.51 0.22 -0.06 0.00 1.55 0.00 0.00 27.41 30.62 2ghf h HIS -1 CO 0.00 -0.37 1.16 1.21 -1.30 0.00 0.00 177.93 178.63 2ghf s ASN 60 N -4.75 5.87 0.00 3.26 3.04 -1.26 -4.62 114.94 116.48 2ghf s ASN 60 Ca -0.12 -0.18 0.00 0.00 0.04 0.00 0.00 52.86 52.60 2ghf s ASN 60 Cb 0.01 -2.55 0.00 0.00 -1.54 0.00 0.00 41.25 37.17 2ghf s ASN 60 CO 0.38 -2.01 0.00 1.67 -3.04 0.00 0.00 177.10 174.10 2ghf n GLN 61 N 9.31 0.00 -3.78 0.43 7.27 -1.26 -4.86 117.38 124.49 2ghf n GLN 61 Ca 0.09 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 57.03 2ghf n GLN 61 Cb 0.50 0.00 -0.12 0.00 2.41 0.00 0.00 30.24 33.03 2ghf n GLN 61 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 2ghf s GLN 62 N -0.93 0.22 0.20 3.69 -0.21 -1.26 -5.07 119.66 116.29 2ghf s GLN 62 Ca 0.00 0.33 -0.07 0.00 0.02 0.00 0.00 55.36 55.64 2ghf s GLN 62 Cb 0.00 0.05 0.13 0.00 1.00 0.00 0.00 33.01 34.19 2ghf s GLN 62 CO 0.00 -0.06 1.66 -0.97 -2.12 0.00 0.00 175.29 173.80 2ghf h ASN 63 N 6.18 0.98 1.16 5.90 -0.73 -1.98 -3.13 115.58 123.97 2ghf h ASN 63 Ca -0.30 -0.28 -0.09 0.00 1.87 0.00 0.00 56.30 57.50 2ghf h ASN 63 Cb 1.18 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 39.50 2ghf h ASN 63 CO 0.38 1.05 -0.42 0.11 -0.37 0.00 0.00 177.43 178.18 2ghf h LYS 64 N 0.91 0.00 0.00 6.67 1.57 -2.03 -3.49 116.57 120.20 2ghf h LYS 64 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2ghf h LYS 64 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 2ghf h LYS 64 CO 0.03 0.42 0.00 1.63 -0.57 0.00 0.00 179.45 180.97 2ghf n LYS 65 N -3.36 0.00 -2.84 3.15 4.76 -1.19 -4.64 118.16 114.04 2ghf n LYS 65 Ca 0.01 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.04 2ghf n LYS 65 Cb 0.61 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.76 2ghf n LYS 65 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2ghf s VAL 66 N 0.00 4.81 0.00 -0.18 0.11 -1.26 -5.01 120.40 118.87 2ghf s VAL 66 Ca 0.00 1.85 0.00 0.00 -2.93 0.00 0.00 61.98 60.90 2ghf s VAL 66 Cb 0.00 -4.22 0.00 0.00 -1.53 0.00 0.00 36.38 30.63 2ghf s VAL 66 CO 0.00 0.25 0.00 -0.62 -3.33 0.00 0.00 175.10 171.40 2ghf n GLU 67 N 3.44 0.00 -0.05 1.54 1.02 -1.26 -4.98 120.64 120.36 2ghf n GLU 67 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2ghf n GLU 67 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.93 2ghf n GLU 67 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ghf n GLY 68 N 3.03 -1.88 0.00 0.62 0.00 -1.26 -5.02 105.19 100.68 2ghf n GLY 68 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2ghf n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ghf n GLY 69 N 0.00 7.13 3.44 -0.02 0.00 -1.26 -4.54 105.19 109.93 2ghf n GLY 69 Ca 0.00 -1.89 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 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 0.70 3.23 -0.25 1.61 2.02 0.75 -4.77 117.35 120.64 2ghf s TYR 70 Ca 0.00 -0.68 -0.10 0.00 -0.37 0.00 0.00 57.07 55.92 2ghf s TYR 70 Cb 0.00 -2.50 -0.05 0.00 -0.40 0.00 0.00 41.96 39.01 2ghf s TYR 70 CO 0.00 -0.57 0.16 -2.00 -1.57 0.00 0.00 175.55 171.57 2ghf s GLU 71 N 1.63 3.99 0.44 -0.62 -6.30 -1.26 -2.15 118.70 114.43 2ghf s GLU 71 Ca 0.04 -0.31 -0.24 0.00 -2.50 0.00 0.00 54.97 51.96 2ghf s GLU 71 Cb -0.19 -3.56 -0.08 0.00 0.00 0.00 0.00 34.13 30.30 2ghf s GLU 71 CO 0.09 -0.05 1.19 0.00 0.02 0.00 0.00 175.26 176.51 2ghf h LYS 73 N 2.27 0.00 -0.34 0.00 1.63 -0.53 -2.93 116.57 116.66 2ghf h LYS 73 Ca -0.49 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 2ghf h LYS 73 Cb 1.25 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.88 2ghf h LYS 73 CO 0.61 0.05 0.00 2.48 -3.45 0.00 0.00 179.45 179.14 2ghf n TYR 74 N -3.54 0.45 -3.72 1.91 4.11 -1.26 -4.62 117.16 110.49 2ghf n TYR 74 Ca -0.02 -0.37 -0.08 0.00 -0.00 0.00 0.00 57.90 57.42 2ghf n TYR 74 Cb 0.16 -0.01 0.02 0.00 -0.00 0.00 0.00 39.34 39.51 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 -0.47 1.32 -2.82 0.00 -1.04 -1.26 -4.31 114.28 105.70 2ghf n THR 76 Ca -0.07 -1.45 -0.43 0.00 -2.04 0.00 0.00 64.05 60.06 2ghf n THR 76 Cb 0.51 0.24 -0.04 0.00 -1.82 0.00 0.00 70.33 69.22 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 -1.67 2.74 -0.01 -1.42 5.36 -1.26 -4.98 117.98 116.74 2ghf s PHE 77 Ca 0.11 -0.10 0.02 0.00 -0.96 0.00 0.00 56.93 56.00 2ghf s PHE 77 Cb 0.10 -4.15 -0.03 0.00 -0.34 0.00 0.00 43.02 38.59 2ghf s PHE 77 CO 0.01 -1.45 -0.04 -1.14 -1.46 0.00 0.00 175.22 171.14 2ghf s GLN 78 N 4.08 2.66 -0.15 10.12 0.74 -1.26 -4.19 119.66 131.66 2ghf s GLN 78 Ca 0.29 -0.66 -0.07 0.00 0.05 0.00 0.00 55.36 54.97 2ghf s GLN 78 Cb -0.13 -2.58 0.06 0.00 1.10 0.00 0.00 33.01 31.46 2ghf s GLN 78 CO 0.17 0.62 0.34 -0.08 -0.55 0.00 0.00 175.29 175.80 2ghf s THR 79 N -1.02 -0.09 -1.62 -0.34 -1.32 -0.92 -4.86 115.64 105.49 2ghf s THR 79 Ca 0.18 0.13 0.19 0.00 -1.21 0.00 0.00 61.69 60.97 2ghf s THR 79 Cb -0.11 -0.52 0.40 0.00 -1.51 0.00 0.00 72.50 70.76 2ghf s THR 79 CO 0.08 0.05 1.56 -0.81 -2.21 0.00 0.00 174.62 173.30 2ghf n PRO 80 N 4.37 0.38 -3.09 7.08 -0.04 -1.26 -0.18 135.00 142.26 2ghf n PRO 80 Ca -0.22 0.07 -0.43 0.00 -0.04 0.00 0.00 63.50 62.88 2ghf n PRO 80 Cb 0.54 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 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 6.31 0.26 3.54 1.11 -1.26 -4.83 116.67 119.42 2ghf s ASP 81 Ca 0.21 -0.44 -0.01 0.00 0.18 0.00 0.00 52.55 52.49 2ghf s ASP 81 Cb 0.13 -2.32 0.50 0.00 1.07 0.00 0.00 42.92 42.29 2ghf s ASP 81 CO 0.26 -0.84 1.79 0.25 1.18 0.00 0.00 175.17 177.82 2ghf h LEU 82 N 9.81 0.67 -0.42 1.23 7.12 -1.98 0.25 115.31 131.98 2ghf h LEU 82 Ca -0.26 0.07 0.04 0.00 0.13 0.00 0.00 57.88 57.86 2ghf h LEU 82 Cb 1.09 -0.05 -0.04 0.00 -0.53 0.00 0.00 40.66 41.13 2ghf h LEU 82 CO 0.92 0.33 0.20 -1.13 -0.13 0.00 0.00 178.44 178.63 2ghf h ASN 83 N 0.76 0.27 0.60 1.25 -1.24 -1.96 0.41 115.58 115.67 2ghf h ASN 83 Ca 0.45 0.03 -0.14 0.00 0.71 0.00 0.00 56.30 57.35 2ghf h ASN 83 Cb 0.54 -0.02 -0.02 0.00 0.73 0.00 0.00 38.32 39.55 2ghf h ASN 83 CO -0.30 0.20 -0.65 0.24 -1.29 0.00 0.00 177.43 175.62 2ghf h MET 84 N 0.40 0.05 0.39 6.67 2.86 -1.64 0.10 114.93 123.77 2ghf h MET 84 Ca 0.18 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.77 2ghf h MET 84 Cb 0.11 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.78 2ghf h MET 84 CO -0.14 0.68 -0.19 0.35 1.06 0.00 0.00 176.91 178.66 2ghf h PHE 85 N 0.03 -0.49 0.00 -0.22 3.57 0.61 -0.42 116.94 120.02 2ghf h PHE 85 Ca -0.01 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.42 2ghf h PHE 85 Cb 1.15 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 40.04 2ghf h PHE 85 CO 0.00 -0.17 -0.30 0.00 -2.23 0.00 0.00 178.31 175.61 2ghf h THR 86 N -0.85 0.84 0.27 4.41 1.03 -0.18 0.19 112.91 118.62 2ghf h THR 86 Ca -0.05 -1.23 -0.01 0.00 -0.01 0.00 0.00 66.41 65.11 2ghf h THR 86 Cb 0.54 1.75 0.00 0.00 -1.07 0.00 0.00 68.15 69.37 2ghf h THR 86 CO 0.09 0.30 -0.13 0.15 -0.01 0.00 0.00 175.52 175.92 2ghf h PHE 87 N 0.00 -0.33 0.00 0.00 3.57 -0.75 0.16 116.94 119.59 2ghf h PHE 87 Ca -0.00 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.39 2ghf h PHE 87 Cb 0.72 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 2ghf h PHE 87 CO 0.00 -0.04 -0.46 1.12 -2.23 0.00 0.00 178.31 176.69 2ghf h HIS 88 N -0.61 0.00 0.24 0.41 2.07 -0.62 -1.51 115.15 115.13 2ghf h HIS 88 Ca -0.04 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.47 2ghf h HIS 88 Cb 0.44 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.42 2ghf h HIS 88 CO 0.01 0.46 -0.11 0.28 -3.07 0.00 0.00 177.93 175.49 2ghf h VAL 89 N 0.00 0.82 0.00 6.12 2.07 -0.54 0.55 116.25 125.27 2ghf h VAL 89 Ca -0.00 -0.63 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 2ghf h VAL 89 Cb 0.91 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.84 2ghf h VAL 89 CO 0.06 0.13 -0.16 -0.78 0.02 0.00 0.00 177.57 176.85 2ghf h ASP 90 N -0.66 0.00 0.05 0.57 3.58 -0.52 0.46 116.42 119.90 2ghf h ASP 90 Ca -0.03 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.18 2ghf h ASP 90 Cb 0.46 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.50 2ghf h ASP 90 CO 0.05 0.16 -1.24 -1.28 -2.88 0.00 0.00 179.24 174.05 2ghf h SER 91 N 0.00 0.17 0.00 2.28 0.87 -1.23 -3.35 113.55 112.28 2ghf h SER 91 Ca -0.00 -0.73 -0.13 0.00 -1.23 0.00 0.00 61.79 59.70 2ghf h SER 91 Cb 0.39 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.27 2ghf h SER 91 CO 0.02 1.52 -1.99 -0.62 -0.53 0.00 0.00 176.83 175.23 2ghf n GLU 92 N -4.18 0.83 -2.92 2.24 -0.58 0.19 -4.60 120.64 111.62 2ghf n GLU 92 Ca -0.27 -0.10 -0.17 0.00 -0.42 0.00 0.00 57.16 56.19 2ghf n GLU 92 Cb 0.77 -1.44 -0.01 0.00 -0.57 0.00 0.00 31.44 30.19 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 -2.35 1.33 -0.20 -0.32 8.25 0.16 -4.97 115.22 117.12 2ghf n HIS 93 Ca -0.14 -3.45 -0.07 0.00 -0.26 0.00 0.00 57.72 53.80 2ghf n HIS 93 Cb 0.73 -0.38 0.03 0.00 1.12 0.00 0.00 29.99 31.48 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 2.96 0.83 -4.30 -0.41 0.13 -1.57 -3.39 132.00 126.24 2ghf h PRO 94 Ca 0.06 -0.12 -0.59 0.00 -0.87 0.00 0.00 66.00 64.47 2ghf h PRO 94 Cb 0.97 -0.15 -0.38 0.00 0.13 0.00 0.00 31.00 31.57 2ghf h PRO 94 CO 0.58 0.67 -0.79 1.21 -0.23 0.00 0.00 178.00 179.44 2ghf s ASN 95 N -5.97 3.51 -0.13 1.44 3.84 -1.26 -4.94 114.94 111.43 2ghf s ASN 95 Ca -0.13 -1.00 0.02 0.00 0.21 0.00 0.00 52.86 51.96 2ghf s ASN 95 Cb 0.13 -1.10 0.00 0.00 -0.55 0.00 0.00 41.25 39.73 2ghf s ASN 95 CO 0.78 -0.22 -0.20 0.68 -2.79 0.00 0.00 177.10 175.35 2ghf s VAL 96 N 1.47 2.29 -0.29 -5.21 -7.23 -1.26 -5.06 120.40 105.11 2ghf s VAL 96 Ca -0.03 -0.92 -0.03 0.00 -1.81 0.00 0.00 61.98 59.19 2ghf s VAL 96 Cb -0.18 -1.92 0.10 0.00 0.56 0.00 0.00 36.38 34.94 2ghf s VAL 96 CO -0.07 0.54 0.12 -0.69 -0.31 0.00 0.00 175.10 174.69 2ghf s VAL 97 N 0.59 0.20 0.00 1.32 1.01 -1.26 -2.15 120.40 120.10 2ghf s VAL 97 Ca -0.12 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 60.97 2ghf s VAL 97 Cb -0.16 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 35.07 2ghf s VAL 97 CO 0.03 -0.68 0.00 0.18 0.00 0.00 0.00 175.10 174.63 2ghf n LEU 98 N 5.14 0.00 0.00 3.92 4.77 -1.26 -5.02 117.00 124.55 2ghf n LEU 98 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 2ghf n LEU 98 Cb 0.42 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 2ghf n LEU 98 CO 0.06 -0.33 0.00 -3.20 -1.33 0.00 0.00 177.39 172.60 2ghf n ASN 99 N -2.05 0.00 -4.76 -1.43 2.85 -1.26 -5.14 115.26 103.47 2ghf n ASN 99 Ca 0.00 0.00 -0.38 0.00 -0.11 0.00 0.00 54.58 54.09 2ghf n ASN 99 Cb 0.00 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 40.96 2ghf n ASN 99 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2ghf s SER 100 N 2.00 6.72 0.34 1.20 0.01 -1.26 -4.77 113.70 117.94 2ghf s SER 100 Ca 0.00 0.86 -0.14 0.00 1.31 0.00 0.00 55.95 57.98 2ghf s SER 100 Cb 0.00 -2.27 0.03 0.00 0.21 0.00 0.00 66.02 63.99 2ghf s SER 100 CO 0.00 0.12 0.68 -0.44 0.41 0.00 0.00 173.24 174.01 2ghf s SER 101 N -0.01 0.12 -0.03 2.44 0.01 -1.26 -5.05 113.70 109.92 2ghf s SER 101 Ca 0.25 -1.08 0.07 0.00 1.31 0.00 0.00 55.95 56.49 2ghf s SER 101 Cb -0.16 0.76 -0.02 0.00 0.21 0.00 0.00 66.02 66.81 2ghf s SER 101 CO 0.11 -1.48 -0.23 -0.31 0.41 0.00 0.00 173.24 171.74 2ghf s TYR 102 N -2.98 2.42 -0.01 2.43 1.51 -1.26 -1.15 117.35 118.31 2ghf s TYR 102 Ca 0.18 -0.40 0.04 0.00 -1.01 0.00 0.00 57.07 55.89 2ghf s TYR 102 Cb -0.04 -1.54 -0.01 0.00 -0.11 0.00 0.00 41.96 40.26 2ghf s TYR 102 CO 0.12 -0.00 -0.13 0.54 -1.11 0.00 0.00 175.55 174.97 2ghf s VAL 103 N -0.60 1.00 -0.55 0.71 0.11 -0.21 -2.33 120.40 118.54 2ghf s VAL 103 Ca 0.09 -0.57 -0.26 0.00 -2.93 0.00 0.00 61.98 58.31 2ghf s VAL 103 Cb -0.10 -0.84 0.03 0.00 -1.53 0.00 0.00 36.38 33.94 2ghf s VAL 103 CO -0.00 0.26 1.06 0.00 -3.33 0.00 0.00 175.10 173.09 2ghf h VAL 105 N 6.10 0.98 -0.81 0.00 2.07 -1.77 1.03 116.25 123.85 2ghf h VAL 105 Ca -0.25 -0.12 0.08 0.00 0.82 0.00 0.00 66.70 67.23 2ghf h VAL 105 Cb 1.07 0.59 -0.07 0.00 -1.52 0.00 0.00 31.29 31.36 2ghf h VAL 105 CO 1.13 0.07 0.48 -0.33 0.02 0.00 0.00 177.57 178.93 2ghf h GLU 106 N 0.36 0.80 0.00 1.57 4.39 -1.90 -2.43 114.58 117.37 2ghf h GLU 106 Ca 0.18 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.83 2ghf h GLU 106 Cb 0.25 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 2ghf h GLU 106 CO -0.04 0.53 -0.96 0.00 -1.16 0.00 0.00 179.01 177.38 2ghf n ASN 108 N -1.52 -2.22 -3.99 0.00 5.03 0.35 -4.99 115.26 107.92 2ghf n ASN 108 Ca 0.02 -0.88 -0.28 0.00 0.87 0.00 0.00 54.58 54.31 2ghf n ASN 108 Cb 0.29 -3.84 -0.17 0.00 -1.02 0.00 0.00 39.78 35.05 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 -3.66 1.83 -0.05 3.10 -0.12 -0.95 -4.93 117.98 113.20 2ghf s PHE 109 Ca 0.13 -0.93 -0.17 0.00 -0.05 0.00 0.00 56.93 55.91 2ghf s PHE 109 Cb -0.04 -1.39 -0.05 0.00 -0.63 0.00 0.00 43.02 40.91 2ghf s PHE 109 CO 0.83 -0.54 0.45 -0.51 -0.05 0.00 0.00 175.22 175.39 2ghf s LEU 110 N 1.40 4.38 0.22 -1.99 1.43 -1.26 -1.25 118.68 121.61 2ghf s LEU 110 Ca 0.01 0.91 0.08 0.00 -1.03 0.00 0.00 54.13 54.09 2ghf s LEU 110 Cb -0.13 -2.66 -0.05 0.00 0.03 0.00 0.00 46.19 43.38 2ghf s LEU 110 CO -0.07 0.17 -0.13 0.28 0.23 0.00 0.00 176.35 176.82 2ghf s THR 111 N -0.25 1.74 -2.00 5.49 -1.32 -0.98 0.14 115.64 118.46 2ghf s THR 111 Ca 0.25 -2.21 0.26 0.00 -1.21 0.00 0.00 61.69 58.79 2ghf s THR 111 Cb -0.16 -2.11 0.75 0.00 -1.51 0.00 0.00 72.50 69.47 2ghf s THR 111 CO 0.12 -0.55 1.99 1.17 -2.21 0.00 0.00 174.62 175.14 2ghf n LYS 112 N -0.42 0.96 -3.59 7.08 4.81 -1.26 -4.46 118.16 121.28 2ghf n LYS 112 Ca -0.07 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.24 2ghf n LYS 112 Cb 0.61 -1.43 -0.05 0.00 0.02 0.00 0.00 35.03 34.18 2ghf n LYS 112 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 2ghf s ARG 113 N -2.00 1.05 0.32 1.64 3.03 -1.26 -5.04 118.95 116.69 2ghf s ARG 113 Ca 0.39 -0.43 0.10 0.00 2.03 0.00 0.00 55.73 57.82 2ghf s ARG 113 Cb 0.18 0.47 0.53 0.00 -1.03 0.00 0.00 34.95 35.10 2ghf s ARG 113 CO 0.30 -0.40 1.73 1.88 -1.13 0.00 0.00 175.30 177.68 2ghf h TYR 114 N 2.61 0.12 -0.83 5.89 -1.99 -1.95 -3.06 116.97 117.77 2ghf h TYR 114 Ca -0.32 -0.03 0.15 0.00 2.00 0.00 0.00 58.73 60.53 2ghf h TYR 114 Cb 1.24 -0.03 -0.10 0.00 2.00 0.00 0.00 36.73 39.84 2ghf h TYR 114 CO 0.34 0.53 0.40 -0.44 -0.00 0.00 0.00 178.16 178.99 2ghf h ASP 115 N 0.09 0.45 0.10 3.88 5.19 -1.99 -2.22 116.42 121.91 2ghf h ASP 115 Ca 0.00 0.10 -0.01 0.00 -0.62 0.00 0.00 57.03 56.51 2ghf h ASP 115 Cb 0.82 0.04 -0.00 0.00 0.18 0.00 0.00 39.33 40.36 2ghf h ASP 115 CO 0.06 0.17 -0.03 0.00 -3.12 0.00 0.00 179.24 176.33 2ghf h ALA 116 N 1.57 1.43 0.10 3.45 0.00 -1.95 0.14 119.26 124.00 2ghf h ALA 116 Ca 0.46 -0.03 -0.29 0.00 0.00 0.00 0.00 54.91 55.05 2ghf h ALA 116 Cb 0.68 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2ghf h ALA 116 CO -0.39 0.04 -1.48 -0.07 0.00 0.00 0.00 179.25 177.35 2ghf h LEU 117 N 0.00 0.33 -0.00 0.00 -0.00 -1.60 -2.50 115.31 111.54 2ghf h LEU 117 Ca -0.00 -0.45 -0.00 0.00 -0.00 0.00 0.00 57.88 57.43 2ghf h LEU 117 Cb 0.09 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 40.64 2ghf h LEU 117 CO 0.00 1.37 -0.00 0.28 -0.00 0.00 0.00 178.44 180.10 2ghf h SER 118 N 0.06 0.00 1.32 -0.43 0.02 -0.78 -3.05 113.55 110.69 2ghf h SER 118 Ca -0.22 -0.61 0.00 0.00 -0.84 0.00 0.00 61.79 60.12 2ghf h SER 118 Cb 1.99 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.53 2ghf h SER 118 CO 0.16 0.61 0.00 -0.33 -1.14 0.00 0.00 176.83 176.13 2ghf h GLU 119 N -0.61 0.00 -0.36 3.45 5.08 -1.00 -3.32 114.58 117.82 2ghf h GLU 119 Ca -0.00 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 2ghf h GLU 119 Cb 0.61 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.78 2ghf h GLU 119 CO 0.00 0.00 -0.42 1.25 -1.00 0.00 0.00 179.01 178.84 2ghf h HIS 120 N 0.00 -1.22 0.00 4.33 2.76 -1.33 0.16 115.15 119.86 2ghf h HIS 120 Ca 0.00 0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 2ghf h HIS 120 Cb 0.66 0.59 0.00 0.00 1.55 0.00 0.00 27.41 30.20 2ghf h HIS 120 CO 0.00 -0.44 0.00 -2.95 -1.30 0.00 0.00 177.93 173.24 2ghf h ASN 121 N -0.35 0.00 0.03 3.26 7.08 -1.71 0.81 115.58 124.71 2ghf h ASN 121 Ca 0.13 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 53.35 2ghf h ASN 121 Cb 0.59 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.83 2ghf h ASN 121 CO -0.54 0.00 -0.02 0.25 -2.08 0.00 0.00 177.43 175.04 2ghf h LEU 122 N 0.00 -0.04 0.00 6.14 5.85 -1.05 -2.67 115.31 123.54 2ghf h LEU 122 Ca 0.00 -0.67 -0.26 0.00 0.84 0.00 0.00 57.88 57.79 2ghf h LEU 122 Cb 0.25 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 2ghf h LEU 122 CO 0.00 0.74 -1.98 2.29 -0.34 0.00 0.00 178.44 179.15 2ghf n LYS 123 N -4.73 0.83 -0.10 1.25 2.85 0.33 -4.37 118.16 114.23 2ghf n LYS 123 Ca -0.08 0.07 -0.20 0.00 -1.05 0.00 0.00 58.31 57.05 2ghf n LYS 123 Cb 0.34 -1.35 -0.11 0.00 -0.65 0.00 0.00 35.03 33.26 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 0.00 0.00 -2.26 5.58 -1.99 0.20 -3.41 116.97 115.08 2ghf h TYR 124 Ca -0.39 0.00 -0.62 0.00 2.00 0.00 0.00 58.73 59.73 2ghf h TYR 124 Cb 1.68 0.00 -0.41 0.00 2.00 0.00 0.00 36.73 40.00 2ghf h TYR 124 CO 0.01 1.35 -0.46 0.72 -0.00 0.00 0.00 178.16 179.79 2ghf n HIS 125 N -4.46 3.60 -2.32 4.88 8.25 0.16 -4.94 115.22 120.39 2ghf n HIS 125 Ca -0.28 -3.98 -0.36 0.00 -0.26 0.00 0.00 57.72 52.83 2ghf n HIS 125 Cb 0.63 -0.61 -0.01 0.00 1.12 0.00 0.00 29.99 31.12 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 -2.70 3.62 0.00 -0.41 0.04 -1.00 -4.33 135.00 130.21 2ghf s PRO 126 Ca 0.41 1.62 0.00 0.00 0.04 0.00 0.00 61.00 63.07 2ghf s PRO 126 Cb 0.16 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.50 2ghf s PRO 126 CO -0.02 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 176.80 2ghf n GLY 127 N 0.21 2.34 3.76 0.56 0.00 -1.25 -5.04 105.19 105.78 2ghf n GLY 127 Ca 0.09 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 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 1.99 -0.42 1.61 -1.05 -1.26 -5.12 118.70 114.45 2ghf s GLU 128 Ca 0.00 -1.33 0.02 0.00 -0.15 0.00 0.00 54.97 53.51 2ghf s GLU 128 Cb 0.00 0.58 0.12 0.00 -0.44 0.00 0.00 34.13 34.40 2ghf s GLU 128 CO 0.00 -0.91 0.20 -2.00 0.95 0.00 0.00 175.26 173.50 2ghf s GLU 129 N -3.05 1.31 -0.35 -4.83 2.12 -1.26 -4.62 118.70 108.01 2ghf s GLU 129 Ca 0.17 -1.92 0.05 0.00 0.36 0.00 0.00 54.97 53.63 2ghf s GLU 129 Cb -0.04 -2.51 0.17 0.00 0.26 0.00 0.00 34.13 32.01 2ghf s GLU 129 CO 0.11 -1.10 0.51 -0.80 -0.54 0.00 0.00 175.26 173.44 2ghf s ASN 130 N 0.54 -0.46 0.09 -1.70 0.01 -1.26 -5.15 114.94 107.01 2ghf s ASN 130 Ca 0.15 -0.69 0.06 0.00 -0.71 0.00 0.00 52.86 51.67 2ghf s ASN 130 Cb -0.23 1.45 -0.04 0.00 0.41 0.00 0.00 41.25 42.84 2ghf s ASN 130 CO -0.05 -0.26 -0.05 -0.36 -1.51 0.00 0.00 177.10 174.87 2ghf s PHE 131 N 2.10 2.87 0.34 2.20 0.08 -1.26 -3.57 117.98 120.74 2ghf s PHE 131 Ca 0.14 -0.08 0.09 0.00 0.12 0.00 0.00 56.93 57.19 2ghf s PHE 131 Cb -0.10 -1.50 -0.05 0.00 -0.57 0.00 0.00 43.02 40.80 2ghf s PHE 131 CO -0.15 0.45 0.03 -1.59 -0.10 0.00 0.00 175.22 173.85 2ghf s LYS 132 N -2.17 2.11 -0.07 0.44 -2.85 0.24 -4.95 119.74 112.49 2ghf s LYS 132 Ca 0.23 -1.73 0.04 0.00 -1.00 0.00 0.00 55.97 53.51 2ghf s LYS 132 Cb -0.11 -1.95 0.00 0.00 -2.06 0.00 0.00 37.83 33.71 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 -3.73 1.92 -0.12 2.77 2.34 -1.26 -1.64 118.68 118.96 2ghf s LEU 133 Ca 0.35 -0.42 -0.04 0.00 0.06 0.00 0.00 54.13 54.08 2ghf s LEU 133 Cb -0.00 -1.12 0.06 0.00 -0.56 0.00 0.00 46.19 44.56 2ghf s LEU 133 CO 0.20 0.14 0.16 0.28 -1.06 0.00 0.00 176.35 176.06 2ghf s THR 134 N 0.25 -0.24 -0.50 5.48 -1.32 0.15 -4.97 115.64 114.50 2ghf s THR 134 Ca -0.11 0.19 -0.19 0.00 -1.21 0.00 0.00 61.69 60.37 2ghf s THR 134 Cb -0.15 -0.41 0.06 0.00 -1.51 0.00 0.00 72.50 70.49 2ghf s THR 134 CO 0.05 0.01 0.60 -0.32 -2.21 0.00 0.00 174.62 172.75 2ghf s MET 135 N 2.27 3.12 -0.23 7.08 0.00 -1.26 0.22 119.30 130.49 2ghf s MET 135 Ca 0.04 -0.90 -0.03 0.00 0.00 0.00 0.00 55.69 54.80 2ghf s MET 135 Cb -0.13 -4.09 0.12 0.00 0.00 0.00 0.00 34.83 30.73 2ghf s MET 135 CO -0.07 -1.18 0.32 0.14 0.00 0.00 0.00 175.02 174.23 2ghf s VAL 136 N 2.53 -0.50 -0.18 10.11 -7.23 -1.20 -4.93 120.40 119.00 2ghf s VAL 136 Ca 0.14 -0.11 -0.04 0.00 -1.81 0.00 0.00 61.98 60.17 2ghf s VAL 136 Cb -0.19 -0.78 0.06 0.00 0.56 0.00 0.00 36.38 36.03 2ghf s VAL 136 CO 0.12 -0.17 0.06 -0.75 -0.31 0.00 0.00 175.10 174.06 2ghf s LYS 137 N 2.47 0.32 0.03 4.82 2.47 -1.26 -4.76 119.74 123.83 2ghf s LYS 137 Ca 0.11 -0.21 0.01 0.00 -1.56 0.00 0.00 55.97 54.32 2ghf s LYS 137 Cb -0.15 -1.91 -0.04 0.00 -1.46 0.00 0.00 37.83 34.27 2ghf s LYS 137 CO -0.16 -0.64 0.07 1.03 0.16 0.00 0.00 175.35 175.81 2ghf s ARG 138 N 2.02 2.93 0.00 4.03 3.00 -1.26 -4.16 118.95 125.50 2ghf s ARG 138 Ca 0.01 -0.60 0.00 0.00 0.00 0.00 0.00 55.73 55.14 2ghf s ARG 138 Cb -0.16 -2.77 0.00 0.00 0.00 0.00 0.00 34.95 32.02 2ghf s ARG 138 CO -0.08 0.61 0.00 0.09 0.00 0.00 0.00 175.30 175.91 2ghf n ASN 139 N 0.90 -3.69 0.00 0.23 3.02 -1.26 -4.87 115.26 109.59 2ghf n ASN 139 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 2ghf n ASN 139 Cb 0.52 -1.62 0.00 0.00 -0.61 0.00 0.00 39.78 38.08 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 -0.35 0.00 -4.97 6.41 3.02 -1.26 -4.51 115.26 113.61 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 0.18 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.36 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 1.58 2.87 -0.44 3.52 0.00 -0.92 -4.92 119.66 121.36 2ghf s GLN 141 Ca 0.00 -0.68 -0.20 0.00 -0.00 0.00 0.00 55.36 54.48 2ghf s GLN 141 Cb 0.00 -2.57 0.02 0.00 0.00 0.00 0.00 33.01 30.47 2ghf s GLN 141 CO 0.00 -0.40 0.61 0.95 0.00 0.00 0.00 175.29 176.45 2ghf s THR 142 N -2.58 4.87 0.13 3.63 -4.23 -1.26 -4.39 115.64 111.80 2ghf s THR 142 Ca 0.52 0.03 0.05 0.00 -1.18 0.00 0.00 61.69 61.10 2ghf s THR 142 Cb -0.10 -4.18 -0.04 0.00 1.34 0.00 0.00 72.50 69.52 2ghf s THR 142 CO 0.37 -0.57 -0.12 0.27 -0.54 0.00 0.00 174.62 174.02 2ghf s ILE 143 N 2.71 1.24 -0.19 2.99 -5.25 -1.26 -4.75 121.20 116.69 2ghf s ILE 143 Ca 0.21 -1.80 -0.22 0.00 -0.99 0.00 0.00 60.65 57.85 2ghf s ILE 143 Cb -0.15 -1.59 -0.02 0.00 2.95 0.00 0.00 42.46 43.65 2ghf s ILE 143 CO 0.18 -0.53 0.68 -0.36 -1.79 0.00 0.00 174.94 173.12 2ghf s PHE 144 N -2.50 3.39 -0.02 1.37 0.40 -0.30 -3.24 117.98 117.07 2ghf s PHE 144 Ca 0.11 1.01 -0.14 0.00 -0.60 0.00 0.00 56.93 57.31 2ghf s PHE 144 Cb -0.03 -2.85 -0.05 0.00 0.51 0.00 0.00 43.02 40.60 2ghf s PHE 144 CO 0.02 -0.18 0.37 -1.21 0.70 0.00 0.00 175.22 174.92 2ghf s GLU 145 N 1.93 3.86 -0.24 0.44 2.02 0.13 -1.04 118.70 125.81 2ghf s GLU 145 Ca 0.31 0.33 0.02 0.00 0.02 0.00 0.00 54.97 55.65 2ghf s GLU 145 Cb -0.16 -3.22 0.05 0.00 0.10 0.00 0.00 34.13 30.89 2ghf s GLU 145 CO 0.11 0.68 -0.13 -1.14 0.02 0.00 0.00 175.26 174.81 2ghf s GLN 146 N -1.01 2.51 0.30 1.61 0.74 0.18 0.34 119.66 124.33 2ghf s GLN 146 Ca 0.22 -1.17 0.09 0.00 0.05 0.00 0.00 55.36 54.55 2ghf s GLN 146 Cb -0.16 -2.82 -0.04 0.00 1.10 0.00 0.00 33.01 31.09 2ghf s GLN 146 CO 0.12 -0.46 0.07 0.99 -0.55 0.00 0.00 175.29 175.46 2ghf s THR 147 N 1.18 3.32 0.19 -0.34 2.01 -0.65 -2.25 115.64 119.09 2ghf s THR 147 Ca -0.04 -1.79 0.04 0.00 0.31 0.00 0.00 61.69 60.21 2ghf s THR 147 Cb -0.18 -2.94 -0.03 0.00 0.01 0.00 0.00 72.50 69.36 2ghf s THR 147 CO -0.07 -0.29 0.26 -0.63 -0.69 0.00 0.00 174.62 173.20 2ghf s ILE 148 N -2.36 5.01 -2.02 1.82 1.01 -1.26 0.79 121.20 124.19 2ghf s ILE 148 Ca 0.34 -0.95 0.20 0.00 0.00 0.00 0.00 60.65 60.24 2ghf s ILE 148 Cb -0.05 -3.63 0.56 0.00 0.01 0.00 0.00 42.46 39.35 2ghf s ILE 148 CO 0.21 -0.19 1.47 -0.46 0.00 0.00 0.00 174.94 175.97 2ghf n ASN 149 N -0.82 3.43 0.00 3.58 2.04 -1.23 -4.64 115.26 117.61 2ghf n ASN 149 Ca -0.08 -2.00 0.00 0.00 -0.44 0.00 0.00 54.58 52.06 2ghf n ASN 149 Cb 0.55 -0.42 0.00 0.00 -2.53 0.00 0.00 39.78 37.38 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 1.38 0.00 0.00 0.53 -0.08 -1.26 -4.92 116.55 112.20 2ghf n ASP 150 Ca 0.21 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.55 2ghf n ASP 150 Cb 0.54 0.45 0.33 0.00 2.34 0.00 0.00 41.12 44.78 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 -2.41 0.00 0.25 -2.67 4.77 -1.26 -2.44 117.00 113.24 2ghf n LEU 151 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 2ghf n LEU 151 Cb 0.00 0.00 0.60 0.00 -2.33 0.00 0.00 43.42 41.69 2ghf n LEU 151 CO 0.00 0.00 0.89 0.74 -1.33 0.00 0.00 177.39 177.69 2ghf h THR 152 N 0.00 0.50 -0.02 -5.08 2.02 -1.91 -3.49 112.91 104.93 2ghf h THR 152 Ca 0.00 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 66.36 2ghf h THR 152 Cb 0.00 1.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 2ghf h THR 152 CO 0.00 0.16 0.00 0.49 0.37 0.00 0.00 175.52 176.54