#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 3.37 0.09 -5.12 0.00 -1.26 -4.71 121.76 114.13 2ghf s ALA -7 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.26 2ghf s ALA -7 Cb 0.00 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.81 2ghf s ALA -7 CO 0.00 -0.47 0.00 1.58 0.00 0.00 0.00 175.76 176.87 2ghf n HIS -6 N 4.66 -1.56 0.04 0.00 -0.00 -1.26 -5.08 115.22 112.01 2ghf n HIS -6 Ca 0.06 0.88 0.00 0.00 -0.00 0.00 0.00 57.72 58.66 2ghf n HIS -6 Cb 0.50 -2.38 0.00 0.00 -0.00 0.00 0.00 29.99 28.11 2ghf n HIS -6 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2ghf n HIS -5 N 0.24 -0.45 0.00 1.57 -0.00 -1.26 -5.02 115.22 110.30 2ghf n HIS -5 Ca 0.00 0.08 0.00 0.00 0.46 0.00 0.00 57.72 58.26 2ghf n HIS -5 Cb 0.00 0.25 0.00 0.00 -0.12 0.00 0.00 29.99 30.12 2ghf n HIS -5 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2ghf n HIS -4 N -2.86 0.00 -3.07 1.57 -0.00 -1.26 -3.55 115.22 106.05 2ghf n HIS -4 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.73 2ghf n HIS -4 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2ghf n HIS -4 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2ghf s HIS -3 N 0.00 -1.34 -0.63 1.57 5.65 -1.26 -5.10 115.29 114.18 2ghf s HIS -3 Ca 0.00 0.17 -0.21 0.00 0.25 0.00 0.00 55.06 55.28 2ghf s HIS -3 Cb 0.00 0.25 0.09 0.00 -1.18 0.00 0.00 32.58 31.74 2ghf s HIS -3 CO 0.00 -0.92 0.83 -1.58 -0.65 0.00 0.00 174.74 172.43 2ghf s HIS -2 N 1.84 2.86 -0.29 3.88 5.65 -1.23 -4.99 115.29 122.99 2ghf s HIS -2 Ca 0.16 -0.79 -0.19 0.00 0.25 0.00 0.00 55.06 54.49 2ghf s HIS -2 Cb -0.02 -4.15 -0.02 0.00 -1.18 0.00 0.00 32.58 27.22 2ghf s HIS -2 CO -0.09 -1.46 0.55 -1.58 -0.65 0.00 0.00 174.74 171.50 2ghf s HIS -1 N 3.30 3.23 -2.17 3.88 5.65 -1.26 -4.91 115.29 123.00 2ghf s HIS -1 Ca 0.17 0.51 0.20 0.00 0.25 0.00 0.00 55.06 56.19 2ghf s HIS -1 Cb -0.20 -2.85 0.53 0.00 -1.18 0.00 0.00 32.58 28.88 2ghf s HIS -1 CO 0.07 -0.40 1.45 0.27 -0.65 0.00 0.00 174.74 175.49 2ghf n ASN 60 N 5.69 3.15 -2.74 9.88 6.94 -1.26 -4.93 115.26 131.99 2ghf n ASN 60 Ca -0.03 -1.96 -0.16 0.00 -0.02 0.00 0.00 54.58 52.40 2ghf n ASN 60 Cb 0.49 -0.33 -0.00 0.00 -2.36 0.00 0.00 39.78 37.58 2ghf n ASN 60 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2ghf n GLN 61 N 1.24 -2.75 -2.00 -3.83 10.64 -1.26 -0.46 117.38 118.95 2ghf n GLN 61 Ca 0.20 0.58 -0.14 0.00 -1.83 0.00 0.00 57.00 55.81 2ghf n GLN 61 Cb 0.52 -5.23 -0.02 0.00 -0.86 0.00 0.00 30.24 24.65 2ghf n GLN 61 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 2ghf n GLN 62 N -3.15 -1.04 -3.82 2.61 1.13 -1.26 -4.99 117.38 106.86 2ghf n GLN 62 Ca -0.11 0.75 -0.30 0.00 -1.94 0.00 0.00 57.00 55.41 2ghf n GLN 62 Cb 0.59 -4.96 -0.15 0.00 0.11 0.00 0.00 30.24 25.83 2ghf n GLN 62 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 2ghf s ASN 63 N -2.52 3.97 -0.10 1.08 2.47 0.39 -4.74 114.94 115.48 2ghf s ASN 63 Ca 0.00 -1.53 -0.25 0.00 0.42 0.00 0.00 52.86 51.50 2ghf s ASN 63 Cb 0.00 -1.02 -0.22 0.00 -1.45 0.00 0.00 41.25 38.57 2ghf s ASN 63 CO 0.00 -0.36 0.84 0.50 -3.72 0.00 0.00 177.10 174.36 2ghf h LYS 64 N 8.00 -0.02 -2.36 0.43 3.64 -1.78 -3.44 116.57 121.03 2ghf h LYS 64 Ca -0.13 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2ghf h LYS 64 Cb 1.04 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 2ghf h LYS 64 CO 0.45 0.73 -0.54 1.17 -2.27 0.00 0.00 179.45 179.00 2ghf n LYS 65 N -4.71 -2.95 -0.97 1.90 0.00 -1.26 -4.88 118.16 105.28 2ghf n LYS 65 Ca -0.09 2.15 -0.39 0.00 0.00 0.00 0.00 58.31 59.98 2ghf n LYS 65 Cb 0.37 -2.33 -0.06 0.00 0.00 0.00 0.00 35.03 33.01 2ghf n LYS 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2ghf n VAL 66 N 0.18 0.00 0.00 3.15 0.31 -1.26 -4.86 118.33 115.85 2ghf n VAL 66 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2ghf n VAL 66 Cb 0.00 -0.29 0.00 0.00 -0.91 0.00 0.00 33.84 32.64 2ghf n VAL 66 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2ghf n GLU 67 N 2.77 1.28 0.00 5.55 0.28 -1.26 -5.04 120.64 124.21 2ghf n GLU 67 Ca 0.21 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.21 2ghf n GLU 67 Cb -0.03 -0.77 0.00 0.00 1.43 0.00 0.00 31.44 32.07 2ghf n GLU 67 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2ghf n GLY 68 N 2.15 -0.02 0.00 -1.84 0.00 -1.26 -5.07 105.19 99.15 2ghf n GLY 68 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.60 1.61 3.34 -0.02 0.00 -1.26 -4.85 105.19 103.41 2ghf n GLY 69 Ca 0.00 -1.75 -0.36 0.00 0.00 0.00 0.00 46.02 43.91 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 2.38 3.06 -0.21 1.61 2.02 0.47 -4.79 117.35 121.90 2ghf s TYR 70 Ca 0.00 -0.89 -0.06 0.00 -0.37 0.00 0.00 57.07 55.74 2ghf s TYR 70 Cb 0.00 -2.18 -0.03 0.00 -0.40 0.00 0.00 41.96 39.35 2ghf s TYR 70 CO 0.00 -0.53 0.04 -2.00 -1.57 0.00 0.00 175.55 171.49 2ghf s GLU 71 N 1.50 3.73 0.68 -0.62 2.12 -1.26 -1.22 118.70 123.63 2ghf s GLU 71 Ca 0.04 -0.46 -0.15 0.00 0.36 0.00 0.00 54.97 54.76 2ghf s GLU 71 Cb -0.16 -3.18 0.01 0.00 0.26 0.00 0.00 34.13 31.06 2ghf s GLU 71 CO 0.00 0.04 1.16 0.00 -0.54 0.00 0.00 175.26 175.92 2ghf h LYS 73 N 0.01 0.21 -0.01 0.00 3.11 -0.97 -3.24 116.57 115.67 2ghf h LYS 73 Ca -0.48 -0.10 0.00 0.00 -2.81 0.00 0.00 60.65 57.27 2ghf h LYS 73 Cb 1.27 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.50 2ghf h LYS 73 CO 0.52 0.60 -0.42 2.48 -2.81 0.00 0.00 179.45 179.82 2ghf n TYR 74 N -4.02 0.00 -3.72 1.91 4.11 -1.26 -4.46 117.16 109.72 2ghf n TYR 74 Ca -0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.77 2ghf n TYR 74 Cb 0.48 -0.03 -0.12 0.00 -0.00 0.00 0.00 39.34 39.68 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 3.94 0.02 -2.47 0.00 5.66 -1.26 -2.67 114.28 117.51 2ghf n THR 76 Ca -0.22 -0.08 -0.43 0.00 -3.05 0.00 0.00 64.05 60.27 2ghf n THR 76 Cb 0.55 -0.18 -0.02 0.00 -1.55 0.00 0.00 70.33 69.13 2ghf n THR 76 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 2ghf s PHE 77 N -1.98 2.78 -0.01 1.09 0.08 -1.26 -4.47 117.98 114.22 2ghf s PHE 77 Ca 0.39 0.93 0.02 0.00 0.12 0.00 0.00 56.93 58.39 2ghf s PHE 77 Cb 0.19 -3.86 -0.03 0.00 -0.57 0.00 0.00 43.02 38.74 2ghf s PHE 77 CO 0.31 -1.53 -0.03 -1.14 -0.10 0.00 0.00 175.22 172.73 2ghf s GLN 78 N 4.05 2.71 -0.08 0.44 0.74 -1.26 -4.10 119.66 122.15 2ghf s GLN 78 Ca 0.54 -0.64 -0.03 0.00 0.05 0.00 0.00 55.36 55.28 2ghf s GLN 78 Cb -0.16 -2.61 0.04 0.00 1.10 0.00 0.00 33.01 31.38 2ghf s GLN 78 CO 0.21 0.62 0.16 -0.08 -0.55 0.00 0.00 175.29 175.65 2ghf s THR 79 N -1.04 -0.17 -1.57 -0.34 -1.32 -0.36 -4.87 115.64 105.98 2ghf s THR 79 Ca 0.18 0.27 0.16 0.00 -1.21 0.00 0.00 61.69 61.10 2ghf s THR 79 Cb -0.11 -0.28 0.32 0.00 -1.51 0.00 0.00 72.50 70.92 2ghf s THR 79 CO 0.09 0.11 1.44 -0.81 -2.21 0.00 0.00 174.62 173.24 2ghf n PRO 80 N 4.82 0.29 -3.29 7.08 -0.04 -1.26 -0.40 135.00 142.21 2ghf n PRO 80 Ca -0.15 0.10 -0.42 0.00 -0.04 0.00 0.00 63.50 63.00 2ghf n PRO 80 Cb 0.51 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.38 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 6.25 0.22 3.54 1.01 -1.26 -4.80 116.67 119.20 2ghf s ASP 81 Ca 0.17 -0.30 -0.08 0.00 0.71 0.00 0.00 52.55 53.05 2ghf s ASP 81 Cb 0.11 -2.24 0.29 0.00 1.01 0.00 0.00 42.92 42.08 2ghf s ASP 81 CO 0.23 -0.51 1.80 0.25 0.21 0.00 0.00 175.17 177.15 2ghf h LEU 82 N 9.07 0.54 -0.55 1.23 7.12 -1.98 0.22 115.31 130.95 2ghf h LEU 82 Ca -0.28 0.04 0.05 0.00 0.13 0.00 0.00 57.88 57.83 2ghf h LEU 82 Cb 1.12 -0.06 -0.05 0.00 -0.53 0.00 0.00 40.66 41.14 2ghf h LEU 82 CO 0.78 0.34 0.28 -1.13 -0.13 0.00 0.00 178.44 178.57 2ghf h ASN 83 N 0.68 0.40 0.57 1.25 -0.00 -1.96 0.23 115.58 116.76 2ghf h ASN 83 Ca 0.33 0.03 -0.16 0.00 -0.00 0.00 0.00 56.30 56.50 2ghf h ASN 83 Cb 0.26 -0.04 -0.02 0.00 -0.00 0.00 0.00 38.32 38.52 2ghf h ASN 83 CO -0.21 0.27 -0.72 0.24 -0.00 0.00 0.00 177.43 177.00 2ghf h MET 84 N 0.54 0.12 0.49 6.67 2.86 -1.76 -0.81 114.93 123.04 2ghf h MET 84 Ca 0.25 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 2ghf h MET 84 Cb 0.16 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.85 2ghf h MET 84 CO -0.17 0.79 -0.24 0.35 1.06 0.00 0.00 176.91 178.70 2ghf h PHE 85 N 0.08 -0.61 -0.06 -0.22 3.57 0.71 -0.09 116.94 120.31 2ghf h PHE 85 Ca -0.02 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.37 2ghf h PHE 85 Cb 1.28 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 40.21 2ghf h PHE 85 CO 0.01 -0.32 -0.41 0.00 -2.23 0.00 0.00 178.31 175.36 2ghf h THR 86 N -0.80 1.31 0.39 4.41 1.03 -0.59 -1.38 112.91 117.28 2ghf h THR 86 Ca -0.07 -1.49 -0.02 0.00 -0.01 0.00 0.00 66.41 64.83 2ghf h THR 86 Cb 0.57 1.72 0.00 0.00 -1.07 0.00 0.00 68.15 69.37 2ghf h THR 86 CO 0.11 0.44 -0.19 0.15 -0.01 0.00 0.00 175.52 176.02 2ghf h PHE 87 N 0.12 -0.49 0.00 0.00 3.57 -1.05 0.70 116.94 119.78 2ghf h PHE 87 Ca 0.01 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 2ghf h PHE 87 Cb 0.78 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 2ghf h PHE 87 CO 0.01 -0.19 -0.29 1.12 -2.23 0.00 0.00 178.31 176.73 2ghf h HIS 88 N -0.75 0.00 0.75 0.41 2.07 -0.88 -1.05 115.15 115.70 2ghf h HIS 88 Ca -0.05 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.43 2ghf h HIS 88 Cb 0.52 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.51 2ghf h HIS 88 CO 0.00 0.29 -0.36 0.28 -3.07 0.00 0.00 177.93 175.07 2ghf h VAL 89 N 0.00 0.03 0.00 6.12 2.07 -1.06 0.73 116.25 124.14 2ghf h VAL 89 Ca -0.00 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 2ghf h VAL 89 Cb 0.54 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 2ghf h VAL 89 CO 0.04 0.00 -0.10 -0.78 0.02 0.00 0.00 177.57 176.75 2ghf h ASP 90 N -1.25 0.00 0.19 0.57 1.82 -0.61 0.34 116.42 117.48 2ghf h ASP 90 Ca -0.10 0.00 -0.34 0.00 -0.39 0.00 0.00 57.03 56.20 2ghf h ASP 90 Cb 0.77 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.80 2ghf h ASP 90 CO 0.17 0.10 -1.65 -1.28 -1.61 0.00 0.00 179.24 174.97 2ghf h SER 91 N 0.00 0.63 0.00 2.28 0.87 -1.18 -3.36 113.55 112.79 2ghf h SER 91 Ca -0.00 -0.93 -0.37 0.00 -1.23 0.00 0.00 61.79 59.26 2ghf h SER 91 Cb 0.35 -0.21 -0.06 0.00 -0.44 0.00 0.00 62.40 62.05 2ghf h SER 91 CO 0.01 1.75 -2.27 -0.62 -0.53 0.00 0.00 176.83 175.17 2ghf n GLU 92 N -3.66 0.50 -3.21 2.24 1.02 0.24 -4.79 120.64 112.98 2ghf n GLU 92 Ca -0.23 0.19 -0.24 0.00 -0.02 0.00 0.00 57.16 56.86 2ghf n GLU 92 Cb 1.06 -1.35 -0.06 0.00 -0.02 0.00 0.00 31.44 31.07 2ghf n GLU 92 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 2ghf n HIS 93 N -3.78 1.52 -0.29 -0.32 1.44 0.11 -4.95 115.22 108.96 2ghf n HIS 93 Ca -0.43 -3.84 -0.06 0.00 -2.01 0.00 0.00 57.72 51.37 2ghf n HIS 93 Cb 0.85 -0.44 0.06 0.00 0.12 0.00 0.00 29.99 30.58 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 3.67 1.15 -2.81 -1.40 0.13 -1.47 -3.41 132.00 127.86 2ghf h PRO 94 Ca 0.12 -0.20 -0.14 0.00 -0.87 0.00 0.00 66.00 64.91 2ghf h PRO 94 Cb 0.78 -0.19 -0.26 0.00 0.13 0.00 0.00 31.00 31.45 2ghf h PRO 94 CO 0.63 0.92 -0.34 1.21 -0.23 0.00 0.00 178.00 180.19 2ghf s ASN 95 N -6.29 -0.41 0.24 1.44 3.84 -1.26 -4.86 114.94 107.64 2ghf s ASN 95 Ca -0.12 0.75 0.04 0.00 0.21 0.00 0.00 52.86 53.73 2ghf s ASN 95 Cb 0.15 0.68 -0.02 0.00 -0.55 0.00 0.00 41.25 41.52 2ghf s ASN 95 CO 0.83 -0.16 0.15 1.33 -2.79 0.00 0.00 177.10 176.45 2ghf n VAL 96 N 3.74 0.00 -5.15 -5.21 0.24 -1.26 -5.15 118.33 105.54 2ghf n VAL 96 Ca -0.20 -1.59 -0.32 0.00 -2.04 0.00 0.00 64.34 60.20 2ghf n VAL 96 Cb 0.56 0.69 -0.16 0.00 -1.47 0.00 0.00 33.84 33.46 2ghf n VAL 96 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 2ghf s VAL 97 N -2.74 2.32 0.13 3.34 -7.23 -1.26 -4.81 120.40 110.15 2ghf s VAL 97 Ca 0.21 -0.97 -0.25 0.00 -1.81 0.00 0.00 61.98 59.16 2ghf s VAL 97 Cb 0.01 -1.87 0.07 0.00 0.56 0.00 0.00 36.38 35.15 2ghf s VAL 97 CO 0.15 0.57 0.84 -1.48 -0.31 0.00 0.00 175.10 174.87 2ghf s LEU 98 N -0.16 -0.31 0.00 1.32 2.34 -1.26 -5.11 118.68 115.50 2ghf s LEU 98 Ca -0.03 -0.26 0.00 0.00 0.06 0.00 0.00 54.13 53.90 2ghf s LEU 98 Cb -0.14 2.28 0.00 0.00 -0.56 0.00 0.00 46.19 47.78 2ghf s LEU 98 CO 0.04 -0.90 0.00 -3.20 -1.06 0.00 0.00 176.35 171.22 2ghf n ASN 99 N -0.39 0.00 -3.63 1.48 5.15 -1.26 -4.96 115.26 111.65 2ghf n ASN 99 Ca -0.08 0.35 -0.16 0.00 -0.60 0.00 0.00 54.58 54.09 2ghf n ASN 99 Cb 0.61 -0.39 -0.07 0.00 -0.53 0.00 0.00 39.78 39.40 2ghf n ASN 99 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2ghf s SER 100 N -2.64 -0.50 0.33 1.20 1.04 -1.26 -4.85 113.70 107.02 2ghf s SER 100 Ca 0.00 0.61 -0.16 0.00 0.48 0.00 0.00 55.95 56.88 2ghf s SER 100 Cb 0.00 0.60 0.03 0.00 0.10 0.00 0.00 66.02 66.75 2ghf s SER 100 CO 0.00 -0.48 0.71 -0.44 0.98 0.00 0.00 173.24 174.01 2ghf s SER 101 N -0.94 -0.01 0.04 7.02 0.01 -1.26 -5.04 113.70 113.53 2ghf s SER 101 Ca -0.10 -0.98 0.07 0.00 1.31 0.00 0.00 55.95 56.25 2ghf s SER 101 Cb -0.02 0.77 -0.03 0.00 0.21 0.00 0.00 66.02 66.94 2ghf s SER 101 CO 0.06 -1.49 -0.17 -0.31 0.41 0.00 0.00 173.24 171.75 2ghf s TYR 102 N -3.08 2.60 -0.02 2.43 1.51 -1.26 -0.51 117.35 119.03 2ghf s TYR 102 Ca 0.16 -0.23 0.03 0.00 -1.01 0.00 0.00 57.07 56.02 2ghf s TYR 102 Cb -0.05 -1.47 -0.00 0.00 -0.11 0.00 0.00 41.96 40.33 2ghf s TYR 102 CO 0.11 0.28 -0.10 0.54 -1.11 0.00 0.00 175.55 175.26 2ghf s VAL 103 N -0.96 0.87 -0.65 0.71 0.11 0.25 -2.01 120.40 118.71 2ghf s VAL 103 Ca 0.15 -0.43 -0.28 0.00 -2.93 0.00 0.00 61.98 58.50 2ghf s VAL 103 Cb -0.11 -0.75 0.03 0.00 -1.53 0.00 0.00 36.38 34.02 2ghf s VAL 103 CO 0.06 0.26 1.27 0.00 -3.33 0.00 0.00 175.10 173.36 2ghf h VAL 105 N 6.13 0.81 -0.93 0.00 2.07 -1.80 1.05 116.25 123.58 2ghf h VAL 105 Ca -0.27 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.15 2ghf h VAL 105 Cb 1.06 0.34 -0.06 0.00 -1.52 0.00 0.00 31.29 31.12 2ghf h VAL 105 CO 1.23 0.08 0.61 -0.33 0.02 0.00 0.00 177.57 179.18 2ghf h GLU 106 N 0.43 1.11 0.00 1.57 4.39 -1.89 -2.57 114.58 117.63 2ghf h GLU 106 Ca 0.37 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 60.00 2ghf h GLU 106 Cb 0.82 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 29.22 2ghf h GLU 106 CO -0.12 0.74 -1.79 0.00 -1.16 0.00 0.00 179.01 176.67 2ghf n ASN 108 N -2.11 -6.63 -3.82 0.00 2.85 0.35 -5.03 115.26 100.87 2ghf n ASN 108 Ca -0.03 -0.54 -0.20 0.00 -0.11 0.00 0.00 54.58 53.69 2ghf n ASN 108 Cb 0.46 -4.42 -0.17 0.00 1.24 0.00 0.00 39.78 36.89 2ghf n ASN 108 CO 0.00 0.00 0.00 0.72 -2.11 0.00 0.00 177.26 175.87 2ghf s PHE 109 N -3.19 0.56 -0.02 1.20 -0.71 -1.06 -4.95 117.98 109.81 2ghf s PHE 109 Ca 0.22 -0.11 -0.16 0.00 -1.04 0.00 0.00 56.93 55.84 2ghf s PHE 109 Cb -0.05 -0.62 -0.05 0.00 -1.21 0.00 0.00 43.02 41.09 2ghf s PHE 109 CO 0.79 -0.21 0.43 -0.51 -1.34 0.00 0.00 175.22 174.37 2ghf s LEU 110 N 1.31 4.44 0.12 -1.99 1.43 -1.26 -1.63 118.68 121.10 2ghf s LEU 110 Ca -0.05 0.95 0.07 0.00 -1.03 0.00 0.00 54.13 54.07 2ghf s LEU 110 Cb -0.13 -2.62 -0.04 0.00 0.03 0.00 0.00 46.19 43.43 2ghf s LEU 110 CO -0.02 0.26 -0.18 0.28 0.23 0.00 0.00 176.35 176.92 2ghf s THR 111 N -0.74 1.59 -2.28 5.49 -1.32 -0.85 -0.34 115.64 117.17 2ghf s THR 111 Ca 0.24 -1.68 0.30 0.00 -1.21 0.00 0.00 61.69 59.34 2ghf s THR 111 Cb -0.16 -1.59 0.69 0.00 -1.51 0.00 0.00 72.50 69.93 2ghf s THR 111 CO 0.13 -0.25 1.94 1.17 -2.21 0.00 0.00 174.62 175.40 2ghf n LYS 112 N 0.71 1.38 -3.90 7.08 4.81 -1.26 -4.03 118.16 122.95 2ghf n LYS 112 Ca -0.17 -0.56 -0.11 0.00 -0.87 0.00 0.00 58.31 56.61 2ghf n LYS 112 Cb 0.56 -1.49 -0.11 0.00 0.02 0.00 0.00 35.03 34.01 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 -2.01 0.32 0.36 1.64 3.03 -1.26 -5.05 118.95 115.99 2ghf s ARG 113 Ca 0.42 -0.31 0.17 0.00 2.03 0.00 0.00 55.73 58.03 2ghf s ARG 113 Cb 0.21 0.13 0.68 0.00 -1.03 0.00 0.00 34.95 34.95 2ghf s ARG 113 CO 0.35 -0.06 1.75 0.10 -1.13 0.00 0.00 175.30 176.31 2ghf h TYR 114 N 4.90 0.00 -0.11 5.89 -0.00 -1.96 -3.19 116.97 122.49 2ghf h TYR 114 Ca -0.29 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 58.38 2ghf h TYR 114 Cb 1.20 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.92 2ghf h TYR 114 CO 0.56 0.40 -0.17 0.38 -0.00 0.00 0.00 178.16 179.34 2ghf h ASP 115 N 0.00 0.17 -0.09 0.10 2.03 -1.99 -2.44 116.42 114.20 2ghf h ASP 115 Ca -0.00 -0.04 0.03 0.00 -0.73 0.00 0.00 57.03 56.29 2ghf h ASP 115 Cb 0.85 -0.04 -0.00 0.00 -0.83 0.00 0.00 39.33 39.30 2ghf h ASP 115 CO 0.05 0.35 0.13 0.00 -1.03 0.00 0.00 179.24 178.74 2ghf h ALA 116 N 1.67 1.58 0.04 4.15 0.00 -1.96 0.14 119.26 124.88 2ghf h ALA 116 Ca 0.03 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.68 2ghf h ALA 116 Cb 0.40 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2ghf h ALA 116 CO 0.03 -0.17 -1.33 -0.07 0.00 0.00 0.00 179.25 177.70 2ghf h LEU 117 N 0.00 0.12 0.06 0.00 -0.00 -1.66 -2.63 115.31 111.21 2ghf h LEU 117 Ca 0.04 -0.16 -0.29 0.00 -0.00 0.00 0.00 57.88 57.47 2ghf h LEU 117 Cb 0.30 -0.04 0.03 0.00 -0.00 0.00 0.00 40.66 40.94 2ghf h LEU 117 CO -0.00 1.13 -1.16 0.28 -0.00 0.00 0.00 178.44 178.70 2ghf h SER 118 N 0.02 0.89 1.92 -0.43 0.02 -0.80 -3.07 113.55 112.10 2ghf h SER 118 Ca -0.15 -0.77 0.00 0.00 -0.84 0.00 0.00 61.79 60.03 2ghf h SER 118 Cb 1.91 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 64.17 2ghf h SER 118 CO 0.13 1.57 -0.01 -0.33 -1.14 0.00 0.00 176.83 177.05 2ghf h GLU 119 N 0.33 0.00 -0.13 3.45 5.08 -1.18 -3.37 114.58 118.75 2ghf h GLU 119 Ca -0.16 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.24 2ghf h GLU 119 Cb 1.82 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 31.01 2ghf h GLU 119 CO 0.22 0.00 -0.45 1.25 -1.00 0.00 0.00 179.01 179.03 2ghf h HIS 120 N 0.00 -1.31 0.00 4.33 2.76 -1.36 0.17 115.15 119.74 2ghf h HIS 120 Ca 0.00 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 2ghf h HIS 120 Cb 0.97 0.59 0.00 0.00 1.55 0.00 0.00 27.41 30.52 2ghf h HIS 120 CO 0.00 -0.50 0.00 0.27 -1.30 0.00 0.00 177.93 176.40 2ghf n ASN 121 N -5.44 0.61 -0.05 3.26 6.94 -1.26 0.10 115.26 119.43 2ghf n ASN 121 Ca -0.05 0.70 -0.11 0.00 -0.02 0.00 0.00 54.58 55.11 2ghf n ASN 121 Cb 0.37 -0.81 -0.10 0.00 -2.36 0.00 0.00 39.78 36.88 2ghf n ASN 121 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 2ghf h LEU 122 N 0.00 -0.02 0.00 -4.53 5.85 -1.14 -2.99 115.31 112.47 2ghf h LEU 122 Ca 0.00 -0.70 -0.23 0.00 0.84 0.00 0.00 57.88 57.79 2ghf h LEU 122 Cb 0.21 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 2ghf h LEU 122 CO 0.00 0.79 -1.89 2.29 -0.34 0.00 0.00 178.44 179.29 2ghf n LYS 123 N -4.70 0.41 -0.08 1.25 2.85 0.39 -4.31 118.16 113.97 2ghf n LYS 123 Ca -0.08 0.09 -0.15 0.00 -1.05 0.00 0.00 58.31 57.12 2ghf n LYS 123 Cb 0.35 -1.31 -0.11 0.00 -0.65 0.00 0.00 35.03 33.30 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 -2.23 5.58 -1.99 0.52 -3.39 116.97 115.46 2ghf h TYR 124 Ca -0.35 0.00 -0.61 0.00 2.00 0.00 0.00 58.73 59.77 2ghf h TYR 124 Cb 1.54 0.00 -0.41 0.00 2.00 0.00 0.00 36.73 39.86 2ghf h TYR 124 CO 0.02 1.03 -0.53 0.72 -0.00 0.00 0.00 178.16 179.40 2ghf n HIS 125 N -4.58 3.64 -2.24 4.88 8.25 0.15 -4.95 115.22 120.38 2ghf n HIS 125 Ca -0.15 -4.07 -0.33 0.00 -0.26 0.00 0.00 57.72 52.92 2ghf n HIS 125 Cb 0.49 -0.59 -0.01 0.00 1.12 0.00 0.00 29.99 31.01 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 -2.61 3.52 0.00 -0.41 0.04 -1.13 -4.24 135.00 130.17 2ghf s PRO 126 Ca 0.40 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.70 2ghf s PRO 126 Cb 0.16 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2ghf s PRO 126 CO -0.02 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 176.78 2ghf n GLY 127 N -0.75 3.22 3.57 0.56 0.00 -1.25 -5.03 105.19 105.52 2ghf n GLY 127 Ca 0.09 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 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 1.66 -0.40 1.61 4.04 -1.26 -5.12 118.70 119.22 2ghf s GLU 128 Ca 0.00 -1.38 0.01 0.00 0.04 0.00 0.00 54.97 53.64 2ghf s GLU 128 Cb 0.00 0.47 0.13 0.00 0.02 0.00 0.00 34.13 34.75 2ghf s GLU 128 CO 0.00 -0.69 0.21 -2.00 -1.84 0.00 0.00 175.26 170.94 2ghf s GLU 129 N -3.71 1.09 -0.36 -4.83 2.12 -1.26 -4.68 118.70 107.07 2ghf s GLU 129 Ca 0.24 -1.75 0.04 0.00 0.36 0.00 0.00 54.97 53.86 2ghf s GLU 129 Cb -0.01 -2.14 0.16 0.00 0.26 0.00 0.00 34.13 32.41 2ghf s GLU 129 CO 0.12 -1.14 0.46 -0.80 -0.54 0.00 0.00 175.26 173.36 2ghf s ASN 130 N 0.67 0.14 0.07 -1.70 0.01 -1.26 -5.14 114.94 107.73 2ghf s ASN 130 Ca 0.16 -0.97 0.03 0.00 -0.71 0.00 0.00 52.86 51.37 2ghf s ASN 130 Cb -0.23 1.13 -0.04 0.00 0.41 0.00 0.00 41.25 42.52 2ghf s ASN 130 CO -0.04 -0.26 0.07 -0.36 -1.51 0.00 0.00 177.10 175.00 2ghf s PHE 131 N 1.90 3.18 0.35 2.20 0.08 -1.26 -3.48 117.98 120.95 2ghf s PHE 131 Ca 0.14 0.08 0.09 0.00 0.12 0.00 0.00 56.93 57.36 2ghf s PHE 131 Cb -0.11 -1.63 -0.05 0.00 -0.57 0.00 0.00 43.02 40.66 2ghf s PHE 131 CO -0.13 0.52 0.07 -1.59 -0.10 0.00 0.00 175.22 173.99 2ghf s LYS 132 N -2.32 2.17 -0.07 0.44 -2.85 0.20 -4.96 119.74 112.36 2ghf s LYS 132 Ca 0.28 -1.71 0.03 0.00 -1.00 0.00 0.00 55.97 53.57 2ghf s LYS 132 Cb -0.12 -2.00 0.01 0.00 -2.06 0.00 0.00 37.83 33.66 2ghf s LYS 132 CO 0.21 0.10 -0.14 -0.48 0.10 0.00 0.00 175.35 175.14 2ghf s LEU 133 N -3.77 1.73 -0.07 2.77 2.34 -1.26 -2.08 118.68 118.34 2ghf s LEU 133 Ca 0.36 -0.34 -0.03 0.00 0.06 0.00 0.00 54.13 54.19 2ghf s LEU 133 Cb -0.00 -0.91 0.04 0.00 -0.56 0.00 0.00 46.19 44.76 2ghf s LEU 133 CO 0.21 0.06 0.13 0.28 -1.06 0.00 0.00 176.35 175.97 2ghf s THR 134 N 0.56 -0.20 -0.47 5.48 -1.32 0.11 -4.99 115.64 114.82 2ghf s THR 134 Ca -0.14 0.35 -0.16 0.00 -1.21 0.00 0.00 61.69 60.53 2ghf s THR 134 Cb -0.16 -0.25 0.06 0.00 -1.51 0.00 0.00 72.50 70.65 2ghf s THR 134 CO 0.04 0.15 0.43 -0.32 -2.21 0.00 0.00 174.62 172.71 2ghf s MET 135 N 2.12 3.01 -0.24 7.08 0.00 -1.26 0.56 119.30 130.57 2ghf s MET 135 Ca 0.02 -1.18 -0.02 0.00 0.00 0.00 0.00 55.69 54.51 2ghf s MET 135 Cb -0.12 -4.09 0.12 0.00 0.00 0.00 0.00 34.83 30.74 2ghf s MET 135 CO -0.05 -1.01 0.31 0.14 0.00 0.00 0.00 175.02 174.41 2ghf s VAL 136 N 1.86 -0.46 -0.09 10.11 -7.23 -1.22 -4.93 120.40 118.44 2ghf s VAL 136 Ca 0.07 -0.19 -0.03 0.00 -1.81 0.00 0.00 61.98 60.02 2ghf s VAL 136 Cb -0.22 -0.82 0.04 0.00 0.56 0.00 0.00 36.38 35.94 2ghf s VAL 136 CO 0.09 -0.24 0.05 -0.75 -0.31 0.00 0.00 175.10 173.94 2ghf s LYS 137 N 2.43 0.17 0.27 4.82 2.47 -1.26 -4.81 119.74 123.83 2ghf s LYS 137 Ca 0.10 0.15 0.08 0.00 -1.56 0.00 0.00 55.97 54.74 2ghf s LYS 137 Cb -0.15 -1.03 -0.04 0.00 -1.46 0.00 0.00 37.83 35.15 2ghf s LYS 137 CO -0.19 -0.42 0.14 1.03 0.16 0.00 0.00 175.35 176.06 2ghf s ARG 138 N 2.09 2.70 0.00 4.03 3.00 -1.26 -4.15 118.95 125.36 2ghf s ARG 138 Ca 0.04 -1.20 0.00 0.00 0.00 0.00 0.00 55.73 54.56 2ghf s ARG 138 Cb -0.13 -2.42 0.00 0.00 0.00 0.00 0.00 34.95 32.40 2ghf s ARG 138 CO -0.05 0.36 0.00 -1.71 0.00 0.00 0.00 175.30 173.89 2ghf n ASN 139 N -1.11 0.00 0.00 0.23 2.85 -1.26 -4.52 115.26 111.45 2ghf n ASN 139 Ca -0.07 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.40 2ghf n ASN 139 Cb 0.58 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.60 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 2.24 0.00 -3.60 1.20 3.02 -1.26 -5.02 115.26 111.84 2ghf n ASN 140 Ca 0.00 0.10 -0.06 0.00 -0.03 0.00 0.00 54.58 54.60 2ghf n ASN 140 Cb 0.00 -0.09 -0.01 0.00 -0.61 0.00 0.00 39.78 39.08 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 -0.21 1.62 -0.41 3.52 0.00 -1.26 -4.76 119.66 118.16 2ghf s GLN 141 Ca 0.00 -0.94 -0.17 0.00 -0.00 0.00 0.00 55.36 54.25 2ghf s GLN 141 Cb 0.00 0.52 0.02 0.00 0.00 0.00 0.00 33.01 33.54 2ghf s GLN 141 CO 0.00 -0.75 0.41 0.95 0.00 0.00 0.00 175.29 175.90 2ghf s THR 142 N -3.20 5.12 0.07 3.63 -4.23 -1.26 -4.28 115.64 111.50 2ghf s THR 142 Ca 0.14 -0.35 0.02 0.00 -1.18 0.00 0.00 61.69 60.32 2ghf s THR 142 Cb -0.04 -3.99 -0.03 0.00 1.34 0.00 0.00 72.50 69.77 2ghf s THR 142 CO 0.06 -0.36 -0.07 0.27 -0.54 0.00 0.00 174.62 173.98 2ghf s ILE 143 N 2.05 0.63 -0.21 2.99 -5.25 -1.26 -4.69 121.20 115.46 2ghf s ILE 143 Ca 0.11 -1.57 -0.22 0.00 -0.99 0.00 0.00 60.65 57.98 2ghf s ILE 143 Cb -0.17 -1.22 -0.02 0.00 2.95 0.00 0.00 42.46 43.99 2ghf s ILE 143 CO 0.13 -0.66 0.68 -0.36 -1.79 0.00 0.00 174.94 172.94 2ghf s PHE 144 N -2.65 3.35 0.01 1.37 0.40 0.34 -3.39 117.98 117.41 2ghf s PHE 144 Ca 0.02 0.98 -0.12 0.00 -0.60 0.00 0.00 56.93 57.21 2ghf s PHE 144 Cb -0.01 -2.87 -0.05 0.00 0.51 0.00 0.00 43.02 40.59 2ghf s PHE 144 CO -0.03 -0.24 0.37 -1.21 0.70 0.00 0.00 175.22 174.81 2ghf s GLU 145 N 2.17 3.79 -0.22 0.44 2.02 0.19 -0.59 118.70 126.51 2ghf s GLU 145 Ca 0.30 0.24 0.02 0.00 0.02 0.00 0.00 54.97 55.55 2ghf s GLU 145 Cb -0.16 -3.13 0.05 0.00 0.10 0.00 0.00 34.13 30.99 2ghf s GLU 145 CO 0.10 0.65 -0.11 -1.14 0.02 0.00 0.00 175.26 174.78 2ghf s GLN 146 N -1.40 2.17 0.30 1.61 0.74 0.16 0.06 119.66 123.31 2ghf s GLN 146 Ca 0.26 -1.02 0.09 0.00 0.05 0.00 0.00 55.36 54.74 2ghf s GLN 146 Cb -0.15 -2.61 -0.04 0.00 1.10 0.00 0.00 33.01 31.31 2ghf s GLN 146 CO 0.14 -0.47 0.07 0.99 -0.55 0.00 0.00 175.29 175.48 2ghf s THR 147 N 1.29 3.34 0.19 -0.34 2.01 -0.88 -2.44 115.64 118.80 2ghf s THR 147 Ca -0.03 -1.78 0.06 0.00 0.31 0.00 0.00 61.69 60.24 2ghf s THR 147 Cb -0.17 -2.95 -0.04 0.00 0.01 0.00 0.00 72.50 69.35 2ghf s THR 147 CO -0.08 -0.29 0.14 -0.63 -0.69 0.00 0.00 174.62 173.07 2ghf s ILE 148 N -2.36 4.39 -2.44 1.82 1.01 -1.26 0.63 121.20 122.99 2ghf s ILE 148 Ca 0.34 -1.21 0.22 0.00 0.00 0.00 0.00 60.65 60.00 2ghf s ILE 148 Cb -0.05 -3.27 0.42 0.00 0.01 0.00 0.00 42.46 39.57 2ghf s ILE 148 CO 0.21 -0.18 1.45 -0.46 0.00 0.00 0.00 174.94 175.97 2ghf n ASN 149 N -0.55 2.68 0.02 3.58 2.04 -1.23 -4.58 115.26 117.22 2ghf n ASN 149 Ca -0.08 -1.88 0.00 0.00 -0.44 0.00 0.00 54.58 52.18 2ghf n ASN 149 Cb 0.56 -0.17 0.00 0.00 -2.53 0.00 0.00 39.78 37.63 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 0.99 -0.22 -0.70 0.53 2.03 -1.26 -4.88 116.55 113.05 2ghf n ASP 150 Ca 0.18 0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.55 2ghf n ASP 150 Cb 0.49 0.47 0.03 0.00 -0.72 0.00 0.00 41.12 41.39 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 -2.58 1.73 0.21 -2.67 4.77 -1.26 -3.57 117.00 113.62 2ghf n LEU 151 Ca 0.00 -0.87 0.15 0.00 -0.03 0.00 0.00 56.01 55.26 2ghf n LEU 151 Cb 0.00 -0.52 0.56 0.00 -2.33 0.00 0.00 43.42 41.13 2ghf n LEU 151 CO 0.00 0.33 0.93 0.74 -1.33 0.00 0.00 177.39 178.05 2ghf h THR 152 N 0.25 0.00 0.00 -5.08 2.02 -1.90 -3.48 112.91 104.73 2ghf h THR 152 Ca 0.01 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.73 2ghf h THR 152 Cb 0.71 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.49 2ghf h THR 152 CO 0.05 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.43