#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ghf n ALA -7 N 0.00 0.00 0.03 3.17 0.00 -1.26 -4.81 120.51 117.64 2ghf n ALA -7 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 53.44 53.31 2ghf n ALA -7 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 2ghf n ALA -7 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 2ghf h HIS -6 N 0.00 0.18 -2.35 0.00 -0.00 -2.12 -3.40 115.15 107.46 2ghf h HIS -6 Ca 0.00 -0.13 -0.58 0.00 -0.00 0.00 0.00 60.37 59.66 2ghf h HIS -6 Cb 0.00 -0.01 -0.10 0.00 -0.00 0.00 0.00 27.41 27.30 2ghf h HIS -6 CO 0.00 1.17 0.93 -1.01 -0.00 0.00 0.00 177.93 179.03 2ghf s HIS -5 N -2.63 2.44 0.00 6.12 0.09 -1.26 -4.47 115.29 115.58 2ghf s HIS -5 Ca -0.06 -0.31 0.00 0.00 -0.00 0.00 0.00 55.06 54.70 2ghf s HIS -5 Cb 0.08 -4.52 0.00 0.00 -0.00 0.00 0.00 32.58 28.14 2ghf s HIS -5 CO 0.83 -1.92 0.00 -2.39 -0.00 0.00 0.00 174.74 171.26 2ghf n HIS -4 N 8.75 0.00 -3.30 1.40 -0.00 -1.26 0.16 115.22 120.97 2ghf n HIS -4 Ca 0.04 0.00 -0.46 0.00 -0.00 0.00 0.00 57.72 57.30 2ghf n HIS -4 Cb 0.48 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.43 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 -1.00 3.45 -0.36 -1.40 5.65 -1.26 -4.98 115.29 115.39 2ghf s HIS -3 Ca 0.00 -1.57 -0.00 0.00 0.25 0.00 0.00 55.06 53.74 2ghf s HIS -3 Cb 0.00 -3.83 0.10 0.00 -1.18 0.00 0.00 32.58 27.67 2ghf s HIS -3 CO 0.00 -1.03 0.11 -1.01 -0.65 0.00 0.00 174.74 172.16 2ghf s HIS -2 N 1.08 3.60 -0.60 3.88 0.09 -1.26 -4.90 115.29 117.17 2ghf s HIS -2 Ca 0.10 -2.54 0.23 0.00 -0.00 0.00 0.00 55.06 52.85 2ghf s HIS -2 Cb -0.21 -2.93 0.06 0.00 -0.00 0.00 0.00 32.58 29.50 2ghf s HIS -2 CO -0.02 -0.94 1.03 1.58 -0.00 0.00 0.00 174.74 176.39 2ghf n HIS -1 N 4.47 0.29 -0.79 1.40 -0.00 -1.26 -5.04 115.22 114.29 2ghf n HIS -1 Ca -0.02 0.08 0.00 0.00 -0.00 0.00 0.00 57.72 57.78 2ghf n HIS -1 Cb 0.42 -0.45 0.00 0.00 -0.00 0.00 0.00 29.99 29.95 2ghf n HIS -1 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 2ghf n ASN 60 N -1.98 -1.87 0.11 0.26 3.02 -1.26 -4.95 115.26 108.59 2ghf n ASN 60 Ca 0.02 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.53 2ghf n ASN 60 Cb 0.44 -0.93 0.12 0.00 -0.61 0.00 0.00 39.78 38.79 2ghf n ASN 60 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 2ghf h GLN 61 N 0.00 0.09 -6.24 3.52 1.08 -2.00 -3.42 115.11 108.14 2ghf h GLN 61 Ca 0.00 -0.07 -0.58 0.00 -1.45 0.00 0.00 58.65 56.55 2ghf h GLN 61 Cb 0.00 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 2ghf h GLN 61 CO 0.00 0.73 1.29 -0.65 -0.95 0.00 0.00 178.83 179.24 2ghf s GLN 62 N -3.55 3.38 0.94 1.46 1.11 -1.26 -4.99 119.66 116.75 2ghf s GLN 62 Ca -0.02 1.55 -0.15 0.00 0.01 0.00 0.00 55.36 56.75 2ghf s GLN 62 Cb 0.12 -4.20 0.21 0.00 -1.01 0.00 0.00 33.01 28.13 2ghf s GLN 62 CO 0.78 -1.81 1.28 0.09 0.01 0.00 0.00 175.29 175.64 2ghf n ASN 63 N 10.20 0.17 -0.26 5.90 3.02 -1.26 -4.96 115.26 128.06 2ghf n ASN 63 Ca 0.23 -1.50 0.13 0.00 -0.03 0.00 0.00 54.58 53.41 2ghf n ASN 63 Cb 0.46 -0.97 0.46 0.00 -0.61 0.00 0.00 39.78 39.12 2ghf n ASN 63 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 2ghf n LYS 64 N -3.69 0.96 -0.67 3.52 2.85 -1.26 -4.86 118.16 115.01 2ghf n LYS 64 Ca 0.16 -0.52 0.00 0.00 -1.05 0.00 0.00 58.31 56.90 2ghf n LYS 64 Cb 0.56 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 33.45 2ghf n LYS 64 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2ghf n LYS 65 N -0.56 1.85 -3.65 -1.58 4.76 -1.26 -5.09 118.16 112.63 2ghf n LYS 65 Ca 0.14 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.22 2ghf n LYS 65 Cb 0.33 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.45 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 1.25 5.34 0.00 -0.18 0.11 -1.26 -5.03 120.40 120.63 2ghf s VAL 66 Ca 0.00 0.43 0.00 0.00 -2.93 0.00 0.00 61.98 59.48 2ghf s VAL 66 Cb 0.00 -3.56 0.00 0.00 -1.53 0.00 0.00 36.38 31.29 2ghf s VAL 66 CO 0.00 0.47 0.00 -0.62 -3.33 0.00 0.00 175.10 171.62 2ghf n GLU 67 N 3.03 0.00 0.00 1.54 -0.58 -1.26 -4.99 120.64 118.38 2ghf n GLU 67 Ca -0.15 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.59 2ghf n GLU 67 Cb 0.53 -0.09 0.00 0.00 -0.57 0.00 0.00 31.44 31.30 2ghf n GLU 67 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ghf n GLY 68 N 2.53 0.89 0.00 0.62 0.00 -1.26 -5.00 105.19 102.97 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 4.23 3.28 -0.02 0.00 -1.26 -4.67 105.19 106.74 2ghf n GLY 69 Ca 0.00 -1.84 -0.35 0.00 0.00 0.00 0.00 46.02 43.82 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 2.25 3.05 0.25 1.61 2.02 0.16 -4.76 117.35 121.92 2ghf s TYR 70 Ca 0.00 -1.17 -0.11 0.00 -0.37 0.00 0.00 57.07 55.42 2ghf s TYR 70 Cb 0.00 -2.13 -0.08 0.00 -0.40 0.00 0.00 41.96 39.36 2ghf s TYR 70 CO 0.00 -0.62 0.58 -2.00 -1.57 0.00 0.00 175.55 171.94 2ghf s GLU 71 N 1.43 3.84 -0.04 -0.62 2.12 -1.26 -1.36 118.70 122.80 2ghf s GLU 71 Ca 0.03 0.35 -0.16 0.00 0.36 0.00 0.00 54.97 55.54 2ghf s GLU 71 Cb -0.16 -2.61 -0.05 0.00 0.26 0.00 0.00 34.13 31.57 2ghf s GLU 71 CO -0.02 0.29 0.44 0.00 -0.54 0.00 0.00 175.26 175.42 2ghf h LYS 73 N 5.42 0.00 -0.20 0.00 3.11 -0.57 -1.87 116.57 122.46 2ghf h LYS 73 Ca -0.48 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.36 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 0.67 0.00 0.00 2.48 -2.81 0.00 0.00 179.45 179.79 2ghf n TYR 74 N -2.60 0.26 -3.46 1.91 0.18 -1.26 -4.58 117.16 107.60 2ghf n TYR 74 Ca -0.02 -0.43 0.01 0.00 1.88 0.00 0.00 57.90 59.34 2ghf n TYR 74 Cb 0.08 -0.03 -0.05 0.00 -0.38 0.00 0.00 39.34 38.96 2ghf n TYR 74 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2ghf n THR 76 N 4.50 4.17 -3.86 0.00 -1.04 -1.26 -2.63 114.28 114.16 2ghf n THR 76 Ca -0.12 -3.09 -0.29 0.00 -2.04 0.00 0.00 64.05 58.51 2ghf n THR 76 Cb 0.54 -2.53 -0.16 0.00 -1.82 0.00 0.00 70.33 66.37 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 1.91 1.81 -0.01 -1.42 5.36 -1.26 -5.04 117.98 119.34 2ghf s PHE 77 Ca 0.58 -1.35 0.02 0.00 -0.96 0.00 0.00 56.93 55.23 2ghf s PHE 77 Cb 0.16 -1.35 -0.03 0.00 -0.34 0.00 0.00 43.02 41.46 2ghf s PHE 77 CO -0.07 -0.70 -0.04 -1.14 -1.46 0.00 0.00 175.22 171.81 2ghf s GLN 78 N 1.59 2.65 -0.12 10.12 0.74 -1.26 -3.96 119.66 129.43 2ghf s GLN 78 Ca -0.03 -0.66 -0.05 0.00 0.05 0.00 0.00 55.36 54.67 2ghf s GLN 78 Cb -0.18 -2.57 0.06 0.00 1.10 0.00 0.00 33.01 31.42 2ghf s GLN 78 CO -0.07 0.62 0.26 -0.08 -0.55 0.00 0.00 175.29 175.47 2ghf s THR 79 N -1.00 -0.30 -1.50 -0.34 -1.32 -0.47 -4.85 115.64 105.86 2ghf s THR 79 Ca 0.17 0.24 0.14 0.00 -1.21 0.00 0.00 61.69 61.04 2ghf s THR 79 Cb -0.11 -0.42 0.27 0.00 -1.51 0.00 0.00 72.50 70.73 2ghf s THR 79 CO 0.08 0.10 1.38 -0.81 -2.21 0.00 0.00 174.62 173.16 2ghf n PRO 80 N 5.02 0.24 -3.00 7.08 -0.04 -1.26 -0.66 135.00 142.37 2ghf n PRO 80 Ca -0.12 0.13 -0.44 0.00 -0.04 0.00 0.00 63.50 63.04 2ghf n PRO 80 Cb 0.51 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.42 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 -2.50 6.22 0.23 3.54 1.11 -1.26 -4.82 116.67 119.19 2ghf s ASP 81 Ca 0.15 -0.95 -0.07 0.00 0.18 0.00 0.00 52.55 51.86 2ghf s ASP 81 Cb 0.10 -2.36 0.40 0.00 1.07 0.00 0.00 42.92 42.14 2ghf s ASP 81 CO 0.21 -1.16 1.69 0.25 1.18 0.00 0.00 175.17 177.34 2ghf h LEU 82 N 10.46 -0.03 -0.45 1.23 7.12 -1.99 0.31 115.31 131.97 2ghf h LEU 82 Ca -0.28 0.14 0.05 0.00 0.13 0.00 0.00 57.88 57.92 2ghf h LEU 82 Cb 1.08 0.20 -0.05 0.00 -0.53 0.00 0.00 40.66 41.36 2ghf h LEU 82 CO 1.08 -0.04 0.18 -1.13 -0.13 0.00 0.00 178.44 178.40 2ghf h ASN 83 N 0.25 0.21 0.78 1.25 -0.00 -1.95 0.20 115.58 116.32 2ghf h ASN 83 Ca 0.38 0.04 -0.12 0.00 -0.00 0.00 0.00 56.30 56.61 2ghf h ASN 83 Cb 0.63 0.01 -0.02 0.00 -0.00 0.00 0.00 38.32 38.95 2ghf h ASN 83 CO -0.49 0.16 -0.56 0.24 -0.00 0.00 0.00 177.43 176.78 2ghf h MET 84 N 0.36 0.00 0.45 6.67 0.00 -1.49 0.28 114.93 121.20 2ghf h MET 84 Ca 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 59.70 59.88 2ghf h MET 84 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 31.60 31.78 2ghf h MET 84 CO -0.19 0.56 -0.21 0.35 0.00 0.00 0.00 176.91 177.41 2ghf h PHE 85 N 0.00 -0.56 0.00 -0.22 3.57 0.73 -0.74 116.94 119.72 2ghf h PHE 85 Ca -0.01 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.38 2ghf h PHE 85 Cb 1.10 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 40.01 2ghf h PHE 85 CO 0.00 -0.24 -0.49 0.00 -2.23 0.00 0.00 178.31 175.35 2ghf h THR 86 N -0.86 1.16 0.04 4.41 1.03 -0.46 -0.73 112.91 117.50 2ghf h THR 86 Ca -0.06 -1.78 -0.00 0.00 -0.01 0.00 0.00 66.41 64.55 2ghf h THR 86 Cb 0.57 2.02 0.00 0.00 -1.07 0.00 0.00 68.15 69.66 2ghf h THR 86 CO 0.10 0.48 -0.02 0.15 -0.01 0.00 0.00 175.52 176.22 2ghf h PHE 87 N 0.00 -0.05 0.00 0.00 3.57 -0.46 0.16 116.94 120.16 2ghf h PHE 87 Ca -0.00 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 2ghf h PHE 87 Cb 0.98 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 2ghf h PHE 87 CO 0.00 0.27 -0.31 1.12 -2.23 0.00 0.00 178.31 177.16 2ghf h HIS 88 N -0.38 0.00 0.41 0.41 2.07 -0.88 -0.14 115.15 116.65 2ghf h HIS 88 Ca -0.01 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.49 2ghf h HIS 88 Cb 0.34 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.33 2ghf h HIS 88 CO 0.03 0.31 -0.20 0.28 -3.07 0.00 0.00 177.93 175.29 2ghf h VAL 89 N 0.00 0.56 0.00 6.12 2.07 -0.89 0.42 116.25 124.53 2ghf h VAL 89 Ca -0.00 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 2ghf h VAL 89 Cb 0.60 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2ghf h VAL 89 CO 0.04 0.07 -0.06 -0.78 0.02 0.00 0.00 177.57 176.86 2ghf h ASP 90 N -0.79 0.00 0.01 0.57 3.58 -0.28 0.24 116.42 119.75 2ghf h ASP 90 Ca -0.06 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.26 2ghf h ASP 90 Cb 0.54 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.57 2ghf h ASP 90 CO 0.09 0.06 -0.71 -1.28 -2.88 0.00 0.00 179.24 174.52 2ghf h SER 91 N 0.00 0.02 0.05 2.28 0.87 -0.95 -3.37 113.55 112.45 2ghf h SER 91 Ca -0.00 -0.74 -0.38 0.00 -1.23 0.00 0.00 61.79 59.44 2ghf h SER 91 Cb 0.13 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.04 2ghf h SER 91 CO 0.01 1.28 -2.22 -0.62 -0.53 0.00 0.00 176.83 174.75 2ghf n GLU 92 N -4.49 0.68 -3.19 2.24 1.02 0.15 -4.68 120.64 112.37 2ghf n GLU 92 Ca -0.22 0.23 -0.23 0.00 -0.02 0.00 0.00 57.16 56.92 2ghf n GLU 92 Cb 0.60 -1.61 -0.05 0.00 -0.02 0.00 0.00 31.44 30.36 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 -3.51 0.95 0.42 -0.32 1.44 0.79 -4.90 115.22 110.09 2ghf n HIS 93 Ca -0.40 -3.79 0.13 0.00 -2.01 0.00 0.00 57.72 51.65 2ghf n HIS 93 Cb 0.98 -0.42 0.48 0.00 0.12 0.00 0.00 29.99 31.15 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 3.57 0.00 -3.96 -1.40 0.13 -1.55 -3.42 132.00 125.37 2ghf h PRO 94 Ca 0.11 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.93 2ghf h PRO 94 Cb 0.83 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.66 2ghf h PRO 94 CO 0.57 0.00 -0.74 -0.80 -0.23 0.00 0.00 178.00 176.80 2ghf s ASN 95 N -4.73 0.39 0.27 1.44 0.01 -1.26 -4.98 114.94 106.08 2ghf s ASN 95 Ca 0.06 -0.05 0.02 0.00 -0.71 0.00 0.00 52.86 52.18 2ghf s ASN 95 Cb 0.10 -0.11 -0.05 0.00 0.41 0.00 0.00 41.25 41.59 2ghf s ASN 95 CO 0.49 -0.01 0.09 -0.69 -1.51 0.00 0.00 177.10 175.47 2ghf s VAL 96 N 0.30 0.68 0.36 1.60 1.01 -1.26 -5.16 120.40 117.93 2ghf s VAL 96 Ca -0.03 -2.00 0.07 0.00 0.00 0.00 0.00 61.98 60.02 2ghf s VAL 96 Cb -0.06 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 2ghf s VAL 96 CO -0.01 -0.00 0.43 0.68 0.00 0.00 0.00 175.10 176.20 2ghf s VAL 97 N -3.67 3.57 0.50 2.92 -7.23 -1.26 -4.79 120.40 110.45 2ghf s VAL 97 Ca 0.38 -1.13 -0.21 0.00 -1.81 0.00 0.00 61.98 59.20 2ghf s VAL 97 Cb 0.08 -3.23 -0.07 0.00 0.56 0.00 0.00 36.38 33.72 2ghf s VAL 97 CO 0.14 -0.11 1.12 -0.76 -0.31 0.00 0.00 175.10 175.18 2ghf s LEU 98 N -4.15 3.87 0.00 1.32 1.43 -1.26 -4.86 118.68 115.02 2ghf s LEU 98 Ca 0.46 2.17 0.00 0.00 -1.03 0.00 0.00 54.13 55.73 2ghf s LEU 98 Cb -0.08 -4.45 0.00 0.00 0.03 0.00 0.00 46.19 41.69 2ghf s LEU 98 CO 0.30 -1.02 0.00 -0.46 0.23 0.00 0.00 176.35 175.40 2ghf n ASN 99 N -0.93 0.00 -4.59 2.29 6.94 -1.26 -5.08 115.26 112.63 2ghf n ASN 99 Ca 0.10 0.00 -0.37 0.00 -0.02 0.00 0.00 54.58 54.29 2ghf n ASN 99 Cb 0.50 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.82 2ghf n ASN 99 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2ghf s SER 100 N -2.07 5.80 0.27 0.53 1.04 -1.26 -4.57 113.70 113.43 2ghf s SER 100 Ca 0.00 -0.00 -0.09 0.00 0.48 0.00 0.00 55.95 56.34 2ghf s SER 100 Cb 0.00 -2.05 -0.01 0.00 0.10 0.00 0.00 66.02 64.06 2ghf s SER 100 CO 0.00 0.02 0.43 -0.44 0.98 0.00 0.00 173.24 174.23 2ghf s SER 101 N 1.32 0.19 -0.00 7.02 0.01 -1.26 -5.04 113.70 115.93 2ghf s SER 101 Ca 0.06 -1.14 0.07 0.00 1.31 0.00 0.00 55.95 56.26 2ghf s SER 101 Cb -0.15 0.58 -0.02 0.00 0.21 0.00 0.00 66.02 66.65 2ghf s SER 101 CO 0.06 -1.15 -0.23 -0.31 0.41 0.00 0.00 173.24 172.02 2ghf s TYR 102 N -3.76 2.02 0.01 2.43 1.51 -1.24 -0.55 117.35 117.77 2ghf s TYR 102 Ca 0.27 -0.38 0.03 0.00 -1.01 0.00 0.00 57.07 55.98 2ghf s TYR 102 Cb 0.00 -1.28 -0.01 0.00 -0.11 0.00 0.00 41.96 40.56 2ghf s TYR 102 CO 0.12 -0.00 -0.10 0.54 -1.11 0.00 0.00 175.55 175.00 2ghf s VAL 103 N -0.59 0.80 -0.60 0.71 0.11 -0.15 -1.70 120.40 118.98 2ghf s VAL 103 Ca 0.09 -0.60 -0.26 0.00 -2.93 0.00 0.00 61.98 58.28 2ghf s VAL 103 Cb -0.09 -0.70 0.04 0.00 -1.53 0.00 0.00 36.38 34.09 2ghf s VAL 103 CO -0.00 0.11 1.10 0.00 -3.33 0.00 0.00 175.10 172.97 2ghf h VAL 105 N 6.08 0.83 -0.87 0.00 2.07 -1.79 0.97 116.25 123.54 2ghf h VAL 105 Ca -0.26 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 2ghf h VAL 105 Cb 1.06 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 2ghf h VAL 105 CO 1.16 0.06 0.50 -0.33 0.02 0.00 0.00 177.57 178.98 2ghf h GLU 106 N 0.32 1.19 0.00 1.57 4.39 -1.89 -2.75 114.58 117.41 2ghf h GLU 106 Ca 0.29 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.87 2ghf h GLU 106 Cb 0.72 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2ghf h GLU 106 CO -0.07 0.85 -1.46 0.00 -1.16 0.00 0.00 179.01 177.17 2ghf n ASN 108 N -1.87 -6.14 -3.80 0.00 5.03 0.33 -5.02 115.26 103.78 2ghf n ASN 108 Ca -0.01 -0.70 -0.20 0.00 0.87 0.00 0.00 54.58 54.54 2ghf n ASN 108 Cb 0.39 -3.88 -0.17 0.00 -1.02 0.00 0.00 39.78 35.10 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 -3.24 0.53 -0.12 3.10 -0.12 -1.09 -4.96 117.98 112.08 2ghf s PHE 109 Ca 0.26 -0.09 -0.14 0.00 -0.05 0.00 0.00 56.93 56.91 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 -0.23 0.31 -0.51 -0.05 0.00 0.00 175.22 175.56 2ghf s LEU 110 N 1.51 4.30 0.13 -1.99 1.43 -1.26 -1.61 118.68 121.19 2ghf s LEU 110 Ca -0.02 0.61 0.06 0.00 -1.03 0.00 0.00 54.13 53.75 2ghf s LEU 110 Cb -0.13 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.65 2ghf s LEU 110 CO -0.03 0.16 -0.15 0.28 0.23 0.00 0.00 176.35 176.85 2ghf s THR 111 N 0.05 1.41 -1.91 5.49 -1.32 -0.69 0.16 115.64 118.83 2ghf s THR 111 Ca 0.18 -1.73 0.20 0.00 -1.21 0.00 0.00 61.69 59.13 2ghf s THR 111 Cb -0.14 -1.57 0.02 0.00 -1.51 0.00 0.00 72.50 69.31 2ghf s THR 111 CO 0.06 -0.38 1.01 2.29 -2.21 0.00 0.00 174.62 175.38 2ghf n LYS 112 N 0.54 1.52 0.00 7.08 2.85 -1.26 -3.61 118.16 125.27 2ghf n LYS 112 Ca -0.15 -1.05 0.09 0.00 -1.05 0.00 0.00 58.31 56.14 2ghf n LYS 112 Cb 0.57 -1.38 -0.02 0.00 -0.65 0.00 0.00 35.03 33.54 2ghf n LYS 112 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 2ghf n ARG 113 N 0.14 1.46 0.00 -1.58 1.85 -1.26 -4.99 116.66 112.28 2ghf n ARG 113 Ca 0.09 -0.72 0.00 0.00 -1.00 0.00 0.00 57.85 56.22 2ghf n ARG 113 Cb 0.43 -1.34 0.00 0.00 -1.05 0.00 0.00 32.46 30.49 2ghf n ARG 113 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 2ghf n TYR 114 N -0.33 0.00 -0.17 2.89 4.02 -1.26 -4.57 117.16 117.74 2ghf n TYR 114 Ca 0.07 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.08 2ghf n TYR 114 Cb 0.37 0.00 0.45 0.00 -0.02 0.00 0.00 39.34 40.13 2ghf n TYR 114 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 2ghf h ASP 115 N 0.00 0.49 0.05 7.72 3.32 -1.97 -2.41 116.42 123.63 2ghf h ASP 115 Ca 0.00 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 2ghf h ASP 115 Cb 0.00 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 2ghf h ASP 115 CO 0.00 0.28 -0.01 0.00 -1.72 0.00 0.00 179.24 177.79 2ghf h ALA 116 N 1.64 1.26 0.04 3.45 0.00 -1.97 0.23 119.26 123.91 2ghf h ALA 116 Ca 0.35 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.99 2ghf h ALA 116 Cb 0.61 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2ghf h ALA 116 CO -0.12 0.01 -1.34 -0.07 0.00 0.00 0.00 179.25 177.73 2ghf h LEU 117 N 0.00 0.12 -0.00 0.00 -0.00 -1.82 -2.24 115.31 111.37 2ghf h LEU 117 Ca -0.00 -0.16 -0.00 0.00 -0.00 0.00 0.00 57.88 57.72 2ghf h LEU 117 Cb 0.04 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2ghf h LEU 117 CO 0.00 1.13 -0.02 0.28 -0.00 0.00 0.00 178.44 179.83 2ghf h SER 118 N 0.02 0.02 1.15 -0.43 0.02 -0.74 -3.08 113.55 110.52 2ghf h SER 118 Ca -0.15 -0.67 0.00 0.00 -0.84 0.00 0.00 61.79 60.13 2ghf h SER 118 Cb 1.91 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 64.44 2ghf h SER 118 CO 0.13 0.68 0.00 -0.33 -1.14 0.00 0.00 176.83 176.17 2ghf h GLU 119 N -0.64 0.00 -0.30 3.45 5.08 -1.02 -3.31 114.58 117.83 2ghf h GLU 119 Ca -0.00 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 2ghf h GLU 119 Cb 0.68 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.85 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 -1.23 0.00 4.33 2.76 -1.30 0.21 115.15 119.92 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 0.58 0.58 0.00 0.00 1.55 0.00 0.00 27.41 30.12 2ghf h HIS 120 CO 0.00 -0.45 0.00 -2.95 -1.30 0.00 0.00 177.93 173.23 2ghf h ASN 121 N -0.39 0.00 0.04 3.26 7.08 -1.71 0.75 115.58 124.61 2ghf h ASN 121 Ca 0.11 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 53.33 2ghf h ASN 121 Cb 0.60 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.84 2ghf h ASN 121 CO -0.51 0.00 -0.02 0.25 -2.08 0.00 0.00 177.43 175.08 2ghf h LEU 122 N 0.00 -0.04 0.00 6.14 5.85 -1.02 -2.85 115.31 123.39 2ghf h LEU 122 Ca 0.00 -0.65 -0.27 0.00 0.84 0.00 0.00 57.88 57.80 2ghf h LEU 122 Cb 0.34 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 2ghf h LEU 122 CO 0.00 0.68 -1.98 2.29 -0.34 0.00 0.00 178.44 179.09 2ghf n LYS 123 N -4.76 0.41 -0.07 1.25 2.85 0.48 -4.46 118.16 113.86 2ghf n LYS 123 Ca -0.08 0.12 -0.11 0.00 -1.05 0.00 0.00 58.31 57.19 2ghf n LYS 123 Cb 0.34 -1.28 -0.08 0.00 -0.65 0.00 0.00 35.03 33.36 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 -0.21 0.00 -2.42 5.58 -1.99 0.04 -3.39 116.97 114.57 2ghf h TYR 124 Ca -0.41 0.00 -0.66 0.00 2.00 0.00 0.00 58.73 59.66 2ghf h TYR 124 Cb 1.53 0.00 -0.38 0.00 2.00 0.00 0.00 36.73 39.88 2ghf h TYR 124 CO -0.01 0.72 -0.18 0.72 -0.00 0.00 0.00 178.16 179.41 2ghf n HIS 125 N -4.63 3.25 -2.47 4.88 8.25 0.20 -4.95 115.22 119.75 2ghf n HIS 125 Ca -0.10 -3.70 -0.37 0.00 -0.26 0.00 0.00 57.72 53.29 2ghf n HIS 125 Cb 0.36 -0.77 -0.03 0.00 1.12 0.00 0.00 29.99 30.67 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 -2.57 4.19 0.00 -0.41 0.04 -1.08 -4.31 135.00 130.87 2ghf s PRO 126 Ca 0.37 1.63 0.00 0.00 0.04 0.00 0.00 61.00 63.05 2ghf s PRO 126 Cb 0.12 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 32.00 2ghf s PRO 126 CO 0.02 -0.15 0.00 0.41 0.04 0.00 0.00 177.00 177.33 2ghf n GLY 127 N 0.54 2.87 3.83 0.56 0.00 -1.26 -5.04 105.19 106.69 2ghf n GLY 127 Ca 0.04 -0.35 -0.06 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 1.74 -0.39 1.61 4.04 -1.26 -5.13 118.70 119.32 2ghf s GLU 128 Ca 0.00 -1.06 0.01 0.00 0.04 0.00 0.00 54.97 53.96 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 -0.81 0.21 -2.00 -1.84 0.00 0.00 175.26 170.82 2ghf s GLU 129 N -2.92 0.91 -0.34 -4.83 2.12 -1.26 -4.69 118.70 107.69 2ghf s GLU 129 Ca 0.15 -1.60 0.04 0.00 0.36 0.00 0.00 54.97 53.92 2ghf s GLU 129 Cb -0.04 -1.87 0.16 0.00 0.26 0.00 0.00 34.13 32.65 2ghf s GLU 129 CO 0.07 -1.16 0.45 -0.80 -0.54 0.00 0.00 175.26 173.29 2ghf s ASN 130 N 0.82 0.18 0.02 -1.70 0.01 -1.26 -5.14 114.94 107.87 2ghf s ASN 130 Ca 0.17 -0.87 0.02 0.00 -0.71 0.00 0.00 52.86 51.46 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 -0.03 -0.28 -0.00 -0.36 -1.51 0.00 0.00 177.10 174.92 2ghf s PHE 131 N 2.01 3.05 0.33 2.20 0.08 -1.26 -3.34 117.98 121.05 2ghf s PHE 131 Ca 0.14 0.05 0.09 0.00 0.12 0.00 0.00 56.93 57.32 2ghf s PHE 131 Cb -0.12 -1.63 -0.05 0.00 -0.57 0.00 0.00 43.02 40.65 2ghf s PHE 131 CO -0.16 0.46 0.02 -1.59 -0.10 0.00 0.00 175.22 173.85 2ghf s LYS 132 N -1.74 2.11 -0.04 0.44 -2.85 0.21 -4.95 119.74 112.91 2ghf s LYS 132 Ca 0.21 -1.71 0.03 0.00 -1.00 0.00 0.00 55.97 53.51 2ghf s LYS 132 Cb -0.12 -1.97 0.00 0.00 -2.06 0.00 0.00 37.83 33.69 2ghf s LYS 132 CO 0.12 0.15 -0.13 -0.48 0.10 0.00 0.00 175.35 175.11 2ghf s LEU 133 N -3.72 1.85 -0.04 2.77 2.34 -1.26 -1.14 118.68 119.47 2ghf s LEU 133 Ca 0.35 -0.28 -0.02 0.00 0.06 0.00 0.00 54.13 54.24 2ghf s LEU 133 Cb -0.01 -0.79 0.03 0.00 -0.56 0.00 0.00 46.19 44.87 2ghf s LEU 133 CO 0.20 0.11 0.07 0.28 -1.06 0.00 0.00 176.35 175.95 2ghf s THR 134 N 0.13 -0.11 -0.47 5.48 -1.32 0.16 -4.97 115.64 114.54 2ghf s THR 134 Ca -0.04 0.32 -0.16 0.00 -1.21 0.00 0.00 61.69 60.61 2ghf s THR 134 Cb -0.10 -0.16 0.07 0.00 -1.51 0.00 0.00 72.50 70.80 2ghf s THR 134 CO 0.01 0.13 0.41 -0.32 -2.21 0.00 0.00 174.62 172.65 2ghf s MET 135 N 1.72 2.99 -0.24 7.08 1.75 -1.26 0.36 119.30 131.69 2ghf s MET 135 Ca -0.01 -1.27 -0.02 0.00 -1.25 0.00 0.00 55.69 53.13 2ghf s MET 135 Cb -0.12 -4.12 0.13 0.00 2.84 0.00 0.00 34.83 33.56 2ghf s MET 135 CO -0.04 -1.03 0.33 0.14 -0.65 0.00 0.00 175.02 173.78 2ghf s VAL 136 N 1.75 -0.51 -0.08 10.11 -7.23 -1.22 -4.93 120.40 118.30 2ghf s VAL 136 Ca 0.05 -0.17 -0.03 0.00 -1.81 0.00 0.00 61.98 60.03 2ghf s VAL 136 Cb -0.23 -0.82 0.04 0.00 0.56 0.00 0.00 36.38 35.92 2ghf s VAL 136 CO 0.07 -0.21 0.06 -0.75 -0.31 0.00 0.00 175.10 173.96 2ghf s LYS 137 N 2.46 0.09 0.05 4.82 2.47 -1.26 -4.78 119.74 123.60 2ghf s LYS 137 Ca 0.10 0.20 0.07 0.00 -1.56 0.00 0.00 55.97 54.79 2ghf s LYS 137 Cb -0.15 -0.94 -0.03 0.00 -1.46 0.00 0.00 37.83 35.24 2ghf s LYS 137 CO -0.19 -0.41 -0.19 1.03 0.16 0.00 0.00 175.35 175.75 2ghf s ARG 138 N 2.12 2.01 -0.97 4.03 3.00 -1.26 -4.10 118.95 123.77 2ghf s ARG 138 Ca 0.04 -1.02 0.00 0.00 0.00 0.00 0.00 55.73 54.75 2ghf s ARG 138 Cb -0.13 -2.16 0.00 0.00 0.00 0.00 0.00 34.95 32.66 2ghf s ARG 138 CO -0.05 0.53 0.00 0.09 0.00 0.00 0.00 175.30 175.87 2ghf n ASN 139 N 1.49 -4.01 0.00 0.23 4.13 -1.26 -4.78 115.26 111.06 2ghf n ASN 139 Ca -0.16 0.20 0.00 0.00 1.68 0.00 0.00 54.58 56.30 2ghf n ASN 139 Cb 0.52 -2.47 0.00 0.00 -1.54 0.00 0.00 39.78 36.30 2ghf n ASN 139 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2ghf n ASN 140 N 0.45 0.00 -3.59 6.41 3.02 -1.26 -4.98 115.26 115.30 2ghf n ASN 140 Ca -0.10 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.38 2ghf n ASN 140 Cb 0.35 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.50 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 0.00 1.09 -0.42 3.52 0.00 -1.26 -4.52 119.66 118.07 2ghf s GLN 141 Ca 0.00 -0.49 -0.19 0.00 -0.00 0.00 0.00 55.36 54.68 2ghf s GLN 141 Cb 0.00 0.44 0.02 0.00 0.00 0.00 0.00 33.01 33.47 2ghf s GLN 141 CO 0.00 -0.49 0.52 0.95 0.00 0.00 0.00 175.29 176.28 2ghf s THR 142 N -3.34 4.98 0.07 3.63 -4.23 -1.26 -4.39 115.64 111.10 2ghf s THR 142 Ca 0.07 -0.12 0.02 0.00 -1.18 0.00 0.00 61.69 60.48 2ghf s THR 142 Cb -0.02 -4.10 -0.04 0.00 1.34 0.00 0.00 72.50 69.69 2ghf s THR 142 CO -0.05 -0.48 -0.07 0.27 -0.54 0.00 0.00 174.62 173.75 2ghf s ILE 143 N 2.43 0.59 -0.16 2.99 -5.25 -1.26 -4.61 121.20 115.93 2ghf s ILE 143 Ca 0.17 -1.60 -0.21 0.00 -0.99 0.00 0.00 60.65 58.01 2ghf s ILE 143 Cb -0.16 -1.26 -0.03 0.00 2.95 0.00 0.00 42.46 43.97 2ghf s ILE 143 CO 0.16 -0.70 0.64 -0.36 -1.79 0.00 0.00 174.94 172.89 2ghf s PHE 144 N -2.79 3.44 0.03 1.37 0.40 0.28 -3.39 117.98 117.31 2ghf s PHE 144 Ca 0.03 1.02 -0.10 0.00 -0.60 0.00 0.00 56.93 57.28 2ghf s PHE 144 Cb -0.00 -2.79 -0.05 0.00 0.51 0.00 0.00 43.02 40.68 2ghf s PHE 144 CO -0.03 -0.08 0.36 -1.21 0.70 0.00 0.00 175.22 174.95 2ghf s GLU 145 N 1.54 3.74 -0.22 0.44 2.02 0.16 -0.97 118.70 125.40 2ghf s GLU 145 Ca 0.31 0.16 0.01 0.00 0.02 0.00 0.00 54.97 55.47 2ghf s GLU 145 Cb -0.16 -3.08 0.05 0.00 0.10 0.00 0.00 34.13 31.03 2ghf s GLU 145 CO 0.12 0.63 -0.11 -1.14 0.02 0.00 0.00 175.26 174.78 2ghf s GLN 146 N -1.62 2.12 0.23 1.61 0.74 0.20 0.36 119.66 123.31 2ghf s GLN 146 Ca 0.28 -0.98 0.08 0.00 0.05 0.00 0.00 55.36 54.79 2ghf s GLN 146 Cb -0.14 -2.56 -0.04 0.00 1.10 0.00 0.00 33.01 31.36 2ghf s GLN 146 CO 0.15 -0.46 0.06 0.99 -0.55 0.00 0.00 175.29 175.49 2ghf s THR 147 N 1.32 3.88 0.15 -0.34 2.01 -0.29 -2.35 115.64 120.01 2ghf s THR 147 Ca -0.03 -1.57 0.04 0.00 0.31 0.00 0.00 61.69 60.44 2ghf s THR 147 Cb -0.17 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 2ghf s THR 147 CO -0.08 -0.27 0.16 -0.63 -0.69 0.00 0.00 174.62 173.11 2ghf s ILE 148 N -2.06 4.70 -1.58 1.82 1.01 -1.26 0.63 121.20 124.46 2ghf s ILE 148 Ca 0.31 -0.93 0.20 0.00 0.00 0.00 0.00 60.65 60.22 2ghf s ILE 148 Cb -0.08 -3.38 0.67 0.00 0.01 0.00 0.00 42.46 39.68 2ghf s ILE 148 CO 0.21 -0.06 1.56 -0.46 0.00 0.00 0.00 174.94 176.19 2ghf n ASN 149 N -0.25 4.23 0.08 3.58 2.04 -1.21 -4.44 115.26 119.29 2ghf n ASN 149 Ca -0.08 -2.22 0.00 0.00 -0.44 0.00 0.00 54.58 51.84 2ghf n ASN 149 Cb 0.54 -0.53 0.00 0.00 -2.53 0.00 0.00 39.78 37.26 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 -1.25 -0.94 0.53 -0.08 -1.26 -4.90 116.55 109.99 2ghf n ASP 150 Ca 0.24 0.31 0.00 0.00 -1.51 0.00 0.00 54.79 53.84 2ghf n ASP 150 Cb 0.74 1.42 0.09 0.00 2.34 0.00 0.00 41.12 45.71 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 -2.86 2.52 -0.19 -2.67 4.77 -1.26 -4.38 117.00 112.93 2ghf n LEU 151 Ca 0.00 -1.28 0.16 0.00 -0.03 0.00 0.00 56.01 54.86 2ghf n LEU 151 Cb 0.00 -0.55 0.50 0.00 -2.33 0.00 0.00 43.42 41.03 2ghf n LEU 151 CO 0.00 0.40 1.21 0.74 -1.33 0.00 0.00 177.39 178.41 2ghf h THR 152 N 0.88 0.76 0.00 -5.08 2.02 -1.91 -3.48 112.91 106.11 2ghf h THR 152 Ca 0.03 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.06 2ghf h THR 152 Cb 0.99 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 2ghf h THR 152 CO 0.15 0.08 0.00 0.49 0.37 0.00 0.00 175.52 176.61