#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 -1.66 0.00 3.04 0.00 -1.26 -5.00 121.76 116.87 2ghf s ALA -7 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.55 2ghf s ALA -7 Cb 0.00 0.65 0.00 0.00 0.00 0.00 0.00 23.12 23.77 2ghf s ALA -7 CO 0.00 -0.80 0.00 1.58 0.00 0.00 0.00 175.76 176.54 2ghf n HIS -6 N -0.34 0.00 -1.03 0.00 -0.00 -1.26 -4.85 115.22 107.74 2ghf n HIS -6 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.61 2ghf n HIS -6 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.62 2ghf n HIS -6 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2ghf n HIS -5 N 0.00 -2.80 -2.25 1.57 -0.00 -1.26 -4.98 115.22 105.50 2ghf n HIS -5 Ca 0.00 1.49 -0.04 0.00 -0.00 0.00 0.00 57.72 59.16 2ghf n HIS -5 Cb 0.00 -2.64 0.01 0.00 -0.00 0.00 0.00 29.99 27.35 2ghf n HIS -5 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2ghf n HIS -4 N -0.71 -1.93 -1.62 4.41 -0.00 -1.26 -5.06 115.22 109.06 2ghf n HIS -4 Ca 0.00 0.77 0.00 0.00 0.46 0.00 0.00 57.72 58.95 2ghf n HIS -4 Cb 0.00 -2.93 0.00 0.00 -0.12 0.00 0.00 29.99 26.94 2ghf n HIS -4 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2ghf n HIS -3 N -0.41 -3.00 0.90 1.57 8.25 -1.26 -4.90 115.22 116.37 2ghf n HIS -3 Ca 0.07 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.66 2ghf n HIS -3 Cb 0.26 0.00 0.56 0.00 1.12 0.00 0.00 29.99 31.93 2ghf n HIS -3 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2ghf n HIS -2 N -1.34 0.13 1.20 4.41 -0.00 -1.26 -1.92 115.22 116.45 2ghf n HIS -2 Ca 0.00 0.04 0.02 0.00 -0.00 0.00 0.00 57.72 57.78 2ghf n HIS -2 Cb 0.00 -0.56 0.08 0.00 -0.00 0.00 0.00 29.99 29.51 2ghf n HIS -2 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2ghf n HIS -1 N -1.61 0.30 -4.05 1.57 -0.00 -1.26 -4.66 115.22 105.51 2ghf n HIS -1 Ca 0.06 -0.13 -0.33 0.00 -0.00 0.00 0.00 57.72 57.32 2ghf n HIS -1 Cb 0.33 -0.06 -0.15 0.00 -0.00 0.00 0.00 29.99 30.12 2ghf n HIS -1 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.34 175.54 2ghf s ASN 60 N -0.77 3.73 0.00 0.41 -0.87 -0.81 -4.97 114.94 111.67 2ghf s ASN 60 Ca 0.12 -0.79 0.25 0.00 -1.57 0.00 0.00 52.86 50.87 2ghf s ASN 60 Cb 0.07 -1.56 0.44 0.00 -0.02 0.00 0.00 41.25 40.17 2ghf s ASN 60 CO 0.07 -0.06 1.37 0.00 -2.57 0.00 0.00 177.10 175.90 2ghf n GLN 61 N 4.62 0.01 -4.14 -0.60 6.02 -1.26 -4.84 117.38 117.19 2ghf n GLN 61 Ca -0.19 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.47 2ghf n GLN 61 Cb 0.48 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.22 2ghf n GLN 61 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ghf n GLN 62 N -1.52 -3.63 -4.07 -1.09 10.64 -1.26 -4.93 117.38 111.52 2ghf n GLN 62 Ca 0.05 0.42 -0.33 0.00 -1.83 0.00 0.00 57.00 55.31 2ghf n GLN 62 Cb 0.34 -5.11 -0.07 0.00 -0.86 0.00 0.00 30.24 24.54 2ghf n GLN 62 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.06 176.44 2ghf s ASN 63 N -3.41 5.76 0.23 2.61 2.47 -1.26 -5.00 114.94 116.34 2ghf s ASN 63 Ca 0.65 0.17 0.11 0.00 0.42 0.00 0.00 52.86 54.20 2ghf s ASN 63 Cb -0.35 -1.67 0.12 0.00 -1.45 0.00 0.00 41.25 37.90 2ghf s ASN 63 CO 0.91 0.27 1.46 0.11 -3.72 0.00 0.00 177.10 176.13 2ghf h LYS 64 N 4.03 0.00 -6.36 0.43 1.57 -1.91 -3.43 116.57 110.90 2ghf h LYS 64 Ca -0.49 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.74 2ghf h LYS 64 Cb 1.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 2ghf h LYS 64 CO 0.63 0.72 0.68 0.21 -0.57 0.00 0.00 179.45 181.12 2ghf s LYS 65 N -3.13 4.36 -0.39 3.15 2.47 -1.26 -4.90 119.74 120.05 2ghf s LYS 65 Ca 0.01 1.72 -0.36 0.00 -1.56 0.00 0.00 55.97 55.78 2ghf s LYS 65 Cb 0.10 -3.51 -0.15 0.00 -1.46 0.00 0.00 37.83 32.81 2ghf s LYS 65 CO 0.77 -0.41 1.32 1.55 0.16 0.00 0.00 175.35 178.74 2ghf n VAL 66 N 4.46 0.00 0.00 4.02 3.14 -1.26 -4.91 118.33 123.78 2ghf n VAL 66 Ca 0.11 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.49 2ghf n VAL 66 Cb 0.46 -0.39 0.00 0.00 -1.06 0.00 0.00 33.84 32.85 2ghf n VAL 66 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2ghf n GLU 67 N 3.65 0.00 -0.24 1.45 1.02 -1.26 -4.95 120.64 120.31 2ghf n GLU 67 Ca 0.28 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.49 2ghf n GLU 67 Cb -0.04 -0.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.96 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 1.99 -0.02 0.00 0.62 0.00 -1.26 -5.00 105.19 101.51 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 5.32 3.29 -0.02 0.00 -1.26 -4.67 105.19 107.85 2ghf n GLY 69 Ca 0.00 -1.40 -0.38 0.00 0.00 0.00 0.00 46.02 44.24 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 2.03 3.24 -0.26 1.61 2.02 0.48 -4.80 117.35 121.67 2ghf s TYR 70 Ca 0.00 -1.33 -0.18 0.00 -0.37 0.00 0.00 57.07 55.19 2ghf s TYR 70 Cb 0.00 -2.29 -0.02 0.00 -0.40 0.00 0.00 41.96 39.25 2ghf s TYR 70 CO 0.00 -0.70 0.54 -2.00 -1.57 0.00 0.00 175.55 171.82 2ghf s GLU 71 N 1.43 4.06 0.53 -0.62 2.12 -1.26 -2.03 118.70 122.93 2ghf s GLU 71 Ca -0.01 0.36 -0.19 0.00 0.36 0.00 0.00 54.97 55.50 2ghf s GLU 71 Cb -0.19 -3.66 -0.06 0.00 0.26 0.00 0.00 34.13 30.48 2ghf s GLU 71 CO 0.03 -0.38 1.07 0.00 -0.54 0.00 0.00 175.26 175.45 2ghf h LYS 73 N 1.14 0.09 -0.32 0.00 3.11 -0.87 -3.15 116.57 116.57 2ghf h LYS 73 Ca -0.49 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.29 2ghf h LYS 73 Cb 1.23 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.47 2ghf h LYS 73 CO 0.58 0.65 0.00 0.66 -2.81 0.00 0.00 179.45 178.52 2ghf n TYR 74 N -3.86 0.40 -3.65 1.91 4.01 -1.26 -4.49 117.16 110.23 2ghf n TYR 74 Ca -0.02 -0.23 -0.06 0.00 -0.16 0.00 0.00 57.90 57.43 2ghf n TYR 74 Cb 0.59 -0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.55 2ghf n TYR 74 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2ghf n THR 76 N 4.56 4.43 -3.92 0.00 -1.04 -1.26 -3.13 114.28 113.92 2ghf n THR 76 Ca -0.19 -3.89 -0.10 0.00 -2.04 0.00 0.00 64.05 57.84 2ghf n THR 76 Cb 0.56 -2.36 -0.10 0.00 -1.82 0.00 0.00 70.33 66.61 2ghf n THR 76 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2ghf s PHE 77 N 0.70 0.15 0.03 -1.42 0.08 -1.26 -4.91 117.98 111.34 2ghf s PHE 77 Ca 0.49 -0.36 0.03 0.00 0.12 0.00 0.00 56.93 57.21 2ghf s PHE 77 Cb 0.14 -0.12 -0.02 0.00 -0.57 0.00 0.00 43.02 42.45 2ghf s PHE 77 CO -0.05 -0.29 -0.09 -1.14 -0.10 0.00 0.00 175.22 173.55 2ghf s GLN 78 N -1.82 0.64 -0.08 0.44 0.74 -1.26 -3.00 119.66 115.32 2ghf s GLN 78 Ca -0.12 -0.62 -0.03 0.00 0.05 0.00 0.00 55.36 54.64 2ghf s GLN 78 Cb -0.06 -0.55 0.04 0.00 1.10 0.00 0.00 33.01 33.55 2ghf s GLN 78 CO -0.01 0.13 0.16 -0.08 -0.55 0.00 0.00 175.29 174.94 2ghf s THR 79 N -0.89 -0.18 -1.74 -0.34 -1.32 -0.86 -4.91 115.64 105.40 2ghf s THR 79 Ca -0.03 0.28 0.20 0.00 -1.21 0.00 0.00 61.69 60.92 2ghf s THR 79 Cb -0.07 -0.29 0.47 0.00 -1.51 0.00 0.00 72.50 71.10 2ghf s THR 79 CO 0.01 0.12 1.60 -0.81 -2.21 0.00 0.00 174.62 173.32 2ghf n PRO 80 N 4.86 0.47 -3.09 7.08 -0.04 -1.26 -0.38 135.00 142.64 2ghf n PRO 80 Ca -0.14 0.05 -0.43 0.00 -0.04 0.00 0.00 63.50 62.94 2ghf n PRO 80 Cb 0.51 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.40 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 -2.26 6.32 0.25 3.54 1.11 -1.26 -4.79 116.67 119.58 2ghf s ASP 81 Ca 0.25 -0.37 -0.04 0.00 0.18 0.00 0.00 52.55 52.57 2ghf s ASP 81 Cb 0.13 -2.33 0.41 0.00 1.07 0.00 0.00 42.92 42.20 2ghf s ASP 81 CO 0.26 -0.82 1.81 0.25 1.18 0.00 0.00 175.17 177.85 2ghf h LEU 82 N 9.80 0.71 -0.23 1.23 7.12 -1.98 0.21 115.31 132.16 2ghf h LEU 82 Ca -0.25 0.05 0.05 0.00 0.13 0.00 0.00 57.88 57.85 2ghf h LEU 82 Cb 1.09 -0.09 -0.05 0.00 -0.53 0.00 0.00 40.66 41.08 2ghf h LEU 82 CO 0.91 0.40 -0.09 -1.13 -0.13 0.00 0.00 178.44 178.41 2ghf h ASN 83 N 0.82 -0.30 0.55 1.25 -0.00 -1.96 0.40 115.58 116.33 2ghf h ASN 83 Ca 0.41 0.08 -0.13 0.00 -0.00 0.00 0.00 56.30 56.65 2ghf h ASN 83 Cb 0.36 0.18 -0.02 0.00 -0.00 0.00 0.00 38.32 38.85 2ghf h ASN 83 CO -0.24 -0.12 -0.61 0.24 -0.00 0.00 0.00 177.43 176.70 2ghf h MET 84 N -0.05 0.06 0.45 6.67 2.86 -1.73 0.53 114.93 123.72 2ghf h MET 84 Ca 0.12 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 2ghf h MET 84 Cb 0.23 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.90 2ghf h MET 84 CO -0.27 0.65 -0.22 0.35 1.06 0.00 0.00 176.91 178.49 2ghf h PHE 85 N 0.05 -0.56 0.00 -0.22 3.57 0.43 -0.25 116.94 119.96 2ghf h PHE 85 Ca -0.01 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.41 2ghf h PHE 85 Cb 1.09 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 40.01 2ghf h PHE 85 CO 0.01 -0.25 -0.34 0.00 -2.23 0.00 0.00 178.31 175.50 2ghf h THR 86 N -0.87 0.97 0.09 4.41 1.03 -0.13 -0.04 112.91 118.37 2ghf h THR 86 Ca -0.06 -1.31 -0.00 0.00 -0.01 0.00 0.00 66.41 65.03 2ghf h THR 86 Cb 0.57 1.77 0.00 0.00 -1.07 0.00 0.00 68.15 69.42 2ghf h THR 86 CO 0.10 0.33 -0.04 0.15 -0.01 0.00 0.00 175.52 176.05 2ghf h PHE 87 N 0.00 -0.12 0.00 0.00 3.57 -0.85 0.16 116.94 119.71 2ghf h PHE 87 Ca -0.00 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 2ghf h PHE 87 Cb 0.74 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 2ghf h PHE 87 CO 0.00 0.36 -0.41 1.12 -2.23 0.00 0.00 178.31 177.15 2ghf h HIS 88 N -0.66 0.00 0.28 0.41 2.07 -0.79 -0.97 115.15 115.49 2ghf h HIS 88 Ca -0.01 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.49 2ghf h HIS 88 Cb 0.53 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.51 2ghf h HIS 88 CO 0.09 0.41 -0.13 0.28 -3.07 0.00 0.00 177.93 175.51 2ghf h VAL 89 N 0.00 0.73 0.00 6.12 2.07 -0.99 0.21 116.25 124.39 2ghf h VAL 89 Ca -0.00 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 2ghf h VAL 89 Cb 0.74 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 2ghf h VAL 89 CO 0.05 0.13 -0.03 -0.78 0.02 0.00 0.00 177.57 176.97 2ghf h ASP 90 N -0.75 0.00 0.06 0.57 1.82 -0.38 0.33 116.42 118.08 2ghf h ASP 90 Ca -0.04 0.00 -0.24 0.00 -0.39 0.00 0.00 57.03 56.37 2ghf h ASP 90 Cb 0.50 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.49 2ghf h ASP 90 CO 0.06 0.03 -1.24 -1.28 -1.61 0.00 0.00 179.24 175.20 2ghf h SER 91 N 0.00 0.21 0.03 2.28 0.87 -1.11 -3.38 113.55 112.45 2ghf h SER 91 Ca -0.00 -0.77 -0.38 0.00 -1.23 0.00 0.00 61.79 59.41 2ghf h SER 91 Cb 0.07 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 61.90 2ghf h SER 91 CO 0.00 1.52 -2.28 -0.62 -0.53 0.00 0.00 176.83 174.93 2ghf n GLU 92 N -4.14 0.67 -3.14 2.24 1.02 0.72 -4.75 120.64 113.26 2ghf n GLU 92 Ca -0.26 0.22 -0.21 0.00 -0.02 0.00 0.00 57.16 56.90 2ghf n GLU 92 Cb 0.79 -1.58 -0.04 0.00 -0.02 0.00 0.00 31.44 30.58 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 -3.54 -0.48 -0.23 -0.32 1.44 0.10 -4.97 115.22 107.22 2ghf n HIS 93 Ca -0.42 -3.47 -0.04 0.00 -2.01 0.00 0.00 57.72 51.77 2ghf n HIS 93 Cb 0.97 -0.17 0.12 0.00 0.12 0.00 0.00 29.99 31.03 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 3.65 1.06 -2.97 -1.40 0.13 -1.35 -3.41 132.00 127.70 2ghf h PRO 94 Ca 0.06 -0.19 -0.15 0.00 -0.87 0.00 0.00 66.00 64.85 2ghf h PRO 94 Cb 0.93 -0.17 -0.26 0.00 0.13 0.00 0.00 31.00 31.63 2ghf h PRO 94 CO 0.45 0.87 -0.36 0.54 -0.23 0.00 0.00 178.00 179.27 2ghf s ASN 95 N -6.44 -0.33 0.03 1.44 2.20 -1.26 -4.87 114.94 105.71 2ghf s ASN 95 Ca -0.11 0.63 0.01 0.00 -0.94 0.00 0.00 52.86 52.44 2ghf s ASN 95 Cb 0.16 0.62 -0.02 0.00 -2.00 0.00 0.00 41.25 40.01 2ghf s ASN 95 CO 0.82 -0.12 -0.05 -0.69 -2.94 0.00 0.00 177.10 174.13 2ghf s VAL 96 N 0.35 0.25 -0.31 3.54 1.01 -1.26 -5.09 120.40 118.89 2ghf s VAL 96 Ca -0.01 -1.00 -0.02 0.00 0.00 0.00 0.00 61.98 60.95 2ghf s VAL 96 Cb -0.03 -0.42 0.11 0.00 0.00 0.00 0.00 36.38 36.03 2ghf s VAL 96 CO -0.01 -0.48 0.13 0.54 0.00 0.00 0.00 175.10 175.27 2ghf s VAL 97 N -1.53 0.50 0.00 2.92 0.11 -1.26 -4.11 120.40 117.03 2ghf s VAL 97 Ca -0.13 -1.26 0.00 0.00 -2.93 0.00 0.00 61.98 57.65 2ghf s VAL 97 Cb -0.09 -1.39 0.00 0.00 -1.53 0.00 0.00 36.38 33.37 2ghf s VAL 97 CO -0.01 -0.74 0.00 0.18 -3.33 0.00 0.00 175.10 171.20 2ghf n LEU 98 N 4.84 0.00 0.00 2.54 4.77 -1.26 -5.11 117.00 122.79 2ghf n LEU 98 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2ghf n LEU 98 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2ghf n LEU 98 CO 0.10 0.00 0.00 -3.20 -1.33 0.00 0.00 177.39 172.96 2ghf n ASN 99 N -0.30 0.00 -4.59 -1.43 5.15 -1.26 -5.03 115.26 107.79 2ghf n ASN 99 Ca 0.00 0.00 -0.35 0.00 -0.60 0.00 0.00 54.58 53.63 2ghf n ASN 99 Cb 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.15 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 2.00 5.54 0.26 1.20 1.04 -1.26 -4.32 113.70 118.16 2ghf s SER 100 Ca 0.00 0.02 -0.18 0.00 0.48 0.00 0.00 55.95 56.27 2ghf s SER 100 Cb 0.00 -1.96 0.01 0.00 0.10 0.00 0.00 66.02 64.17 2ghf s SER 100 CO 0.00 0.12 0.61 -0.44 0.98 0.00 0.00 173.24 174.51 2ghf s SER 101 N 0.70 -0.20 0.06 7.02 0.01 -1.26 -5.03 113.70 114.99 2ghf s SER 101 Ca 0.04 -0.71 0.08 0.00 1.31 0.00 0.00 55.95 56.66 2ghf s SER 101 Cb -0.13 0.66 -0.03 0.00 0.21 0.00 0.00 66.02 66.72 2ghf s SER 101 CO 0.02 -1.24 -0.20 -0.31 0.41 0.00 0.00 173.24 171.92 2ghf s TYR 102 N -3.95 2.50 -0.03 2.43 1.51 -1.26 -0.61 117.35 117.94 2ghf s TYR 102 Ca 0.15 -0.29 0.03 0.00 -1.01 0.00 0.00 57.07 55.95 2ghf s TYR 102 Cb -0.03 -1.41 0.00 0.00 -0.11 0.00 0.00 41.96 40.40 2ghf s TYR 102 CO 0.07 0.27 -0.11 0.54 -1.11 0.00 0.00 175.55 175.20 2ghf s VAL 103 N -0.96 0.97 -0.68 0.71 0.11 -0.08 -2.38 120.40 118.10 2ghf s VAL 103 Ca 0.15 -0.47 -0.27 0.00 -2.93 0.00 0.00 61.98 58.45 2ghf s VAL 103 Cb -0.10 -0.85 0.03 0.00 -1.53 0.00 0.00 36.38 33.93 2ghf s VAL 103 CO 0.06 0.29 1.26 0.00 -3.33 0.00 0.00 175.10 173.38 2ghf h VAL 105 N 6.09 0.70 -0.92 0.00 2.07 -1.80 1.00 116.25 123.39 2ghf h VAL 105 Ca -0.27 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.25 2ghf h VAL 105 Cb 1.05 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 2ghf h VAL 105 CO 1.25 0.00 0.59 -0.33 0.02 0.00 0.00 177.57 179.10 2ghf h GLU 106 N 0.00 1.22 0.00 1.57 4.39 -1.88 -3.02 114.58 116.86 2ghf h GLU 106 Ca 0.17 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.79 2ghf h GLU 106 Cb 0.74 -0.27 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2ghf h GLU 106 CO -0.00 0.83 -1.68 0.00 -1.16 0.00 0.00 179.01 176.99 2ghf n ASN 108 N -2.03 -6.49 -3.89 0.00 2.85 0.33 -5.04 115.26 101.00 2ghf n ASN 108 Ca -0.03 -0.58 -0.23 0.00 -0.11 0.00 0.00 54.58 53.63 2ghf n ASN 108 Cb 0.42 -4.22 -0.17 0.00 1.24 0.00 0.00 39.78 37.06 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 1.05 -0.17 1.20 -0.71 -1.07 -4.94 117.98 110.14 2ghf s PHE 109 Ca 0.21 -0.40 -0.14 0.00 -1.04 0.00 0.00 56.93 55.56 2ghf s PHE 109 Cb -0.05 -0.92 -0.04 0.00 -1.21 0.00 0.00 43.02 40.79 2ghf s PHE 109 CO 0.80 -0.32 0.32 -0.51 -1.34 0.00 0.00 175.22 174.17 2ghf s LEU 110 N 1.32 4.22 0.20 -1.99 1.43 -1.26 -1.63 118.68 120.97 2ghf s LEU 110 Ca -0.04 0.51 0.09 0.00 -1.03 0.00 0.00 54.13 53.67 2ghf s LEU 110 Cb -0.14 -2.41 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 2ghf s LEU 110 CO -0.03 0.05 -0.09 0.28 0.23 0.00 0.00 176.35 176.79 2ghf s THR 111 N 0.69 3.15 0.41 5.49 -1.32 -1.00 -0.34 115.64 122.73 2ghf s THR 111 Ca 0.17 -1.77 0.26 0.00 -1.21 0.00 0.00 61.69 59.14 2ghf s THR 111 Cb -0.13 -2.59 0.28 0.00 -1.51 0.00 0.00 72.50 68.54 2ghf s THR 111 CO 0.05 -0.18 2.05 0.50 -2.21 0.00 0.00 174.62 174.84 2ghf h LYS 112 N 2.70 0.00 -5.55 7.08 3.64 -1.72 -3.38 116.57 119.33 2ghf h LYS 112 Ca -0.46 0.00 -0.49 0.00 -1.27 0.00 0.00 60.65 58.43 2ghf h LYS 112 Cb 1.22 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.90 2ghf h LYS 112 CO 0.55 0.13 -0.69 -0.98 -2.27 0.00 0.00 179.45 176.20 2ghf s ARG 113 N -4.23 1.51 0.04 1.90 1.70 -1.26 -5.00 118.95 113.62 2ghf s ARG 113 Ca -0.03 -1.75 0.22 0.00 -0.47 0.00 0.00 55.73 53.71 2ghf s ARG 113 Cb 0.13 -1.17 -0.08 0.00 -0.57 0.00 0.00 34.95 33.26 2ghf s ARG 113 CO 0.60 0.08 0.88 2.48 -1.08 0.00 0.00 175.30 178.26 2ghf n TYR 114 N -0.55 0.25 0.19 5.89 0.18 -1.26 -4.18 117.16 117.68 2ghf n TYR 114 Ca -0.06 0.07 0.07 0.00 1.88 0.00 0.00 57.90 59.86 2ghf n TYR 114 Cb 0.63 -0.46 0.34 0.00 -0.38 0.00 0.00 39.34 39.47 2ghf n TYR 114 CO 0.00 0.00 0.00 0.38 -2.08 0.00 0.00 176.86 175.16 2ghf h ASP 115 N 0.00 0.00 0.05 9.48 3.04 -1.98 -2.85 116.42 124.16 2ghf h ASP 115 Ca 0.00 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2ghf h ASP 115 Cb 0.80 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.08 2ghf h ASP 115 CO 0.00 0.34 -0.02 0.00 -2.04 0.00 0.00 179.24 177.53 2ghf h ALA 116 N 1.66 1.44 0.05 4.15 0.00 -1.98 0.10 119.26 124.68 2ghf h ALA 116 Ca -0.00 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.63 2ghf h ALA 116 Cb 0.90 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2ghf h ALA 116 CO 0.04 0.02 -1.34 -0.07 0.00 0.00 0.00 179.25 177.90 2ghf h LEU 117 N 0.00 0.18 -0.11 0.00 -0.00 -1.77 -2.16 115.31 111.46 2ghf h LEU 117 Ca -0.00 -0.23 -0.20 0.00 -0.00 0.00 0.00 57.88 57.45 2ghf h LEU 117 Cb 0.04 -0.06 0.01 0.00 -0.00 0.00 0.00 40.66 40.66 2ghf h LEU 117 CO 0.00 1.19 -0.71 0.28 -0.00 0.00 0.00 178.44 179.20 2ghf h SER 118 N 0.03 0.81 1.88 -0.43 0.02 -0.98 -2.94 113.55 111.94 2ghf h SER 118 Ca -0.15 -0.66 0.00 0.00 -0.84 0.00 0.00 61.79 60.14 2ghf h SER 118 Cb 1.92 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 64.22 2ghf h SER 118 CO 0.14 1.34 -0.03 -0.33 -1.14 0.00 0.00 176.83 176.81 2ghf h GLU 119 N 0.34 0.00 -0.17 3.45 5.08 -1.04 -3.38 114.58 118.87 2ghf h GLU 119 Ca -0.06 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.34 2ghf h GLU 119 Cb 1.36 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.54 2ghf h GLU 119 CO 0.15 0.00 -0.49 1.25 -1.00 0.00 0.00 179.01 178.92 2ghf h HIS 120 N 0.00 -1.42 0.00 4.33 2.76 -1.19 0.25 115.15 119.87 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 0.96 0.64 0.00 0.00 1.55 0.00 0.00 27.41 30.56 2ghf h HIS 120 CO 0.00 -0.51 0.00 -2.95 -1.30 0.00 0.00 177.93 173.17 2ghf h ASN 121 N -0.52 0.00 0.05 3.26 -1.07 -1.74 0.90 115.58 116.46 2ghf h ASN 121 Ca 0.06 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.43 2ghf h ASN 121 Cb 0.65 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.90 2ghf h ASN 121 CO -0.44 0.00 -0.02 0.25 0.07 0.00 0.00 177.43 177.29 2ghf h LEU 122 N 0.00 -0.05 0.00 6.14 5.85 -1.18 -3.00 115.31 123.07 2ghf h LEU 122 Ca 0.00 -0.59 -0.27 0.00 0.84 0.00 0.00 57.88 57.86 2ghf h LEU 122 Cb 0.29 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 2ghf h LEU 122 CO 0.00 0.68 -1.99 2.29 -0.34 0.00 0.00 178.44 179.08 2ghf n LYS 123 N -4.76 0.42 -0.07 1.25 2.85 0.66 -4.31 118.16 114.20 2ghf n LYS 123 Ca -0.08 0.11 -0.13 0.00 -1.05 0.00 0.00 58.31 57.16 2ghf n LYS 123 Cb 0.31 -1.31 -0.10 0.00 -0.65 0.00 0.00 35.03 33.27 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 -0.10 0.00 -2.31 5.58 -1.99 0.38 -3.38 116.97 115.15 2ghf h TYR 124 Ca -0.40 0.00 -0.63 0.00 2.00 0.00 0.00 58.73 59.70 2ghf h TYR 124 Cb 1.57 0.00 -0.40 0.00 2.00 0.00 0.00 36.73 39.90 2ghf h TYR 124 CO 0.01 0.91 -0.36 0.72 -0.00 0.00 0.00 178.16 179.44 2ghf n HIS 125 N -4.60 3.47 -2.39 4.88 8.25 0.17 -4.95 115.22 120.06 2ghf n HIS 125 Ca -0.13 -3.88 -0.34 0.00 -0.26 0.00 0.00 57.72 53.11 2ghf n HIS 125 Cb 0.44 -0.67 -0.02 0.00 1.12 0.00 0.00 29.99 30.87 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 -2.65 3.57 0.00 -0.41 0.04 -1.13 -4.29 135.00 130.13 2ghf s PRO 126 Ca 0.39 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.90 2ghf s PRO 126 Cb 0.15 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2ghf s PRO 126 CO -0.00 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 176.81 2ghf n GLY 127 N -0.11 2.72 3.79 0.56 0.00 -1.25 -5.02 105.19 105.88 2ghf n GLY 127 Ca 0.10 -0.33 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 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 2.02 -0.41 1.61 4.04 -1.26 -5.13 118.70 119.57 2ghf s GLU 128 Ca 0.00 -1.29 0.01 0.00 0.04 0.00 0.00 54.97 53.73 2ghf s GLU 128 Cb 0.00 0.60 0.13 0.00 0.02 0.00 0.00 34.13 34.88 2ghf s GLU 128 CO 0.00 -0.93 0.21 -2.00 -1.84 0.00 0.00 175.26 170.70 2ghf s GLU 129 N -3.03 1.10 -0.35 -4.83 2.12 -1.26 -4.61 118.70 107.84 2ghf s GLU 129 Ca 0.15 -1.77 0.04 0.00 0.36 0.00 0.00 54.97 53.75 2ghf s GLU 129 Cb -0.05 -2.15 0.16 0.00 0.26 0.00 0.00 34.13 32.36 2ghf s GLU 129 CO 0.10 -1.14 0.46 -0.80 -0.54 0.00 0.00 175.26 173.34 2ghf s ASN 130 N 0.65 0.16 -0.02 -1.70 0.01 -1.26 -5.14 114.94 107.64 2ghf s ASN 130 Ca 0.16 -0.96 0.01 0.00 -0.71 0.00 0.00 52.86 51.36 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 -0.27 0.01 -0.36 -1.51 0.00 0.00 177.10 174.94 2ghf s PHE 131 N 1.91 3.11 0.35 2.20 0.08 -1.26 -3.37 117.98 121.01 2ghf s PHE 131 Ca 0.14 0.11 0.08 0.00 0.12 0.00 0.00 56.93 57.39 2ghf s PHE 131 Cb -0.11 -1.70 -0.04 0.00 -0.57 0.00 0.00 43.02 40.60 2ghf s PHE 131 CO -0.13 0.47 0.21 -1.59 -0.10 0.00 0.00 175.22 174.08 2ghf s LYS 132 N -1.46 2.49 -0.07 0.44 -2.85 0.23 -4.95 119.74 113.57 2ghf s LYS 132 Ca 0.19 -1.48 0.05 0.00 -1.00 0.00 0.00 55.97 53.73 2ghf s LYS 132 Cb -0.12 -2.28 -0.00 0.00 -2.06 0.00 0.00 37.83 33.37 2ghf s LYS 132 CO 0.09 0.07 -0.22 -0.48 0.10 0.00 0.00 175.35 174.91 2ghf s LEU 133 N -3.92 2.02 -0.20 2.77 2.34 -1.26 -2.11 118.68 118.32 2ghf s LEU 133 Ca 0.40 -0.49 -0.04 0.00 0.06 0.00 0.00 54.13 54.06 2ghf s LEU 133 Cb -0.03 -1.28 0.10 0.00 -0.56 0.00 0.00 46.19 44.41 2ghf s LEU 133 CO 0.24 0.18 0.29 0.28 -1.06 0.00 0.00 176.35 176.28 2ghf s THR 134 N 0.12 -0.44 -0.49 5.48 -1.32 0.81 -4.99 115.64 114.81 2ghf s THR 134 Ca -0.10 -0.01 -0.18 0.00 -1.21 0.00 0.00 61.69 60.19 2ghf s THR 134 Cb -0.15 -0.67 0.06 0.00 -1.51 0.00 0.00 72.50 70.23 2ghf s THR 134 CO 0.05 -0.10 0.56 -0.32 -2.21 0.00 0.00 174.62 172.60 2ghf s MET 135 N 2.43 3.09 -0.25 7.08 0.00 -1.26 0.12 119.30 130.51 2ghf s MET 135 Ca 0.07 -0.97 -0.02 0.00 0.00 0.00 0.00 55.69 54.77 2ghf s MET 135 Cb -0.15 -4.09 0.13 0.00 0.00 0.00 0.00 34.83 30.72 2ghf s MET 135 CO -0.12 -1.14 0.33 0.14 0.00 0.00 0.00 175.02 174.23 2ghf s VAL 136 N 2.36 -0.52 -0.09 10.11 -7.23 -1.21 -4.93 120.40 118.90 2ghf s VAL 136 Ca 0.12 -0.17 -0.02 0.00 -1.81 0.00 0.00 61.98 60.11 2ghf s VAL 136 Cb -0.20 -0.83 0.04 0.00 0.56 0.00 0.00 36.38 35.95 2ghf s VAL 136 CO 0.11 -0.21 0.04 -0.75 -0.31 0.00 0.00 175.10 173.98 2ghf s LYS 137 N 2.47 0.25 0.20 4.82 2.47 -1.26 -4.80 119.74 123.88 2ghf s LYS 137 Ca 0.11 0.14 0.09 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 -0.40 -0.06 1.03 0.16 0.00 0.00 175.35 175.89 2ghf s ARG 138 N 2.07 2.17 -0.19 4.03 3.00 -1.26 -4.03 118.95 124.74 2ghf s ARG 138 Ca 0.04 -1.27 0.00 0.00 0.00 0.00 0.00 55.73 54.50 2ghf s ARG 138 Cb -0.13 -2.19 0.00 0.00 0.00 0.00 0.00 34.95 32.62 2ghf s ARG 138 CO -0.05 0.43 0.00 0.09 0.00 0.00 0.00 175.30 175.76 2ghf n ASN 139 N -0.16 -4.67 0.00 0.23 4.13 -1.26 -4.70 115.26 108.83 2ghf n ASN 139 Ca -0.10 0.04 0.00 0.00 1.68 0.00 0.00 54.58 56.21 2ghf n ASN 139 Cb 0.56 -2.33 0.00 0.00 -1.54 0.00 0.00 39.78 36.47 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 -0.48 0.00 -3.71 6.41 3.02 -1.26 -4.77 115.26 114.47 2ghf n ASN 140 Ca -0.02 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.45 2ghf n ASN 140 Cb 0.30 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.45 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 1.55 -0.43 3.52 0.00 -1.26 -4.47 119.66 118.57 2ghf s GLN 141 Ca 0.00 -0.78 -0.19 0.00 -0.00 0.00 0.00 55.36 54.39 2ghf s GLN 141 Cb 0.00 0.58 0.02 0.00 0.00 0.00 0.00 33.01 33.61 2ghf s GLN 141 CO 0.00 -0.70 0.55 0.95 0.00 0.00 0.00 175.29 176.09 2ghf s THR 142 N -3.78 4.94 0.09 3.63 -4.23 -1.26 -4.34 115.64 110.70 2ghf s THR 142 Ca 0.08 -0.08 0.03 0.00 -1.18 0.00 0.00 61.69 60.55 2ghf s THR 142 Cb -0.04 -4.13 -0.04 0.00 1.34 0.00 0.00 72.50 69.63 2ghf s THR 142 CO 0.00 -0.52 -0.09 0.27 -0.54 0.00 0.00 174.62 173.74 2ghf s ILE 143 N 2.53 0.88 -0.20 2.99 -5.25 -1.26 -4.51 121.20 116.38 2ghf s ILE 143 Ca 0.18 -1.64 -0.22 0.00 -0.99 0.00 0.00 60.65 57.98 2ghf s ILE 143 Cb -0.15 -1.35 -0.02 0.00 2.95 0.00 0.00 42.46 43.88 2ghf s ILE 143 CO 0.17 -0.59 0.67 -0.36 -1.79 0.00 0.00 174.94 173.04 2ghf s PHE 144 N -2.53 3.37 0.03 1.37 0.40 0.22 -3.34 117.98 117.50 2ghf s PHE 144 Ca 0.05 0.98 -0.12 0.00 -0.60 0.00 0.00 56.93 57.24 2ghf s PHE 144 Cb -0.02 -2.85 -0.06 0.00 0.51 0.00 0.00 43.02 40.60 2ghf s PHE 144 CO -0.01 -0.21 0.39 -1.21 0.70 0.00 0.00 175.22 174.88 2ghf s GLU 145 N 2.04 3.81 -0.21 0.44 2.02 0.12 -0.90 118.70 126.02 2ghf s GLU 145 Ca 0.30 0.27 0.01 0.00 0.02 0.00 0.00 54.97 55.58 2ghf s GLU 145 Cb -0.16 -3.12 0.04 0.00 0.10 0.00 0.00 34.13 30.99 2ghf s GLU 145 CO 0.10 0.64 -0.12 -1.14 0.02 0.00 0.00 175.26 174.77 2ghf s GLN 146 N -1.44 2.21 0.28 1.61 0.74 0.13 -0.13 119.66 123.06 2ghf s GLN 146 Ca 0.27 -0.97 0.09 0.00 0.05 0.00 0.00 55.36 54.80 2ghf s GLN 146 Cb -0.15 -2.56 -0.04 0.00 1.10 0.00 0.00 33.01 31.35 2ghf s GLN 146 CO 0.15 -0.44 0.01 0.99 -0.55 0.00 0.00 175.29 175.45 2ghf s THR 147 N 1.31 3.39 0.19 -0.34 2.01 -0.90 -2.42 115.64 118.88 2ghf s THR 147 Ca -0.02 -1.89 0.05 0.00 0.31 0.00 0.00 61.69 60.13 2ghf s THR 147 Cb -0.17 -2.86 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 2ghf s THR 147 CO -0.08 -0.35 0.24 -0.63 -0.69 0.00 0.00 174.62 173.11 2ghf s ILE 148 N -2.34 4.89 -2.26 1.82 1.01 -1.26 0.76 121.20 123.82 2ghf s ILE 148 Ca 0.32 -1.01 0.22 0.00 0.00 0.00 0.00 60.65 60.18 2ghf s ILE 148 Cb -0.06 -3.57 0.50 0.00 0.01 0.00 0.00 42.46 39.34 2ghf s ILE 148 CO 0.20 -0.20 1.46 -0.46 0.00 0.00 0.00 174.94 175.94 2ghf n ASN 149 N -0.79 3.35 0.10 3.58 2.04 -1.22 -4.64 115.26 117.68 2ghf n ASN 149 Ca -0.08 -1.97 0.00 0.00 -0.44 0.00 0.00 54.58 52.09 2ghf n ASN 149 Cb 0.56 -0.32 0.00 0.00 -2.53 0.00 0.00 39.78 37.48 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 -1.24 -0.14 0.53 -0.08 -1.26 -4.89 116.55 110.84 2ghf n ASP 150 Ca 0.20 0.37 0.00 0.00 -1.51 0.00 0.00 54.79 53.85 2ghf n ASP 150 Cb 0.56 1.34 0.00 0.00 2.34 0.00 0.00 41.12 45.37 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 -2.98 0.24 0.22 -2.67 4.77 -1.26 -2.53 117.00 112.79 2ghf n LEU 151 Ca 0.00 -0.12 0.11 0.00 -0.03 0.00 0.00 56.01 55.97 2ghf n LEU 151 Cb 0.00 -0.12 0.30 0.00 -2.33 0.00 0.00 43.42 41.27 2ghf n LEU 151 CO 0.00 0.06 0.78 0.74 -1.33 0.00 0.00 177.39 177.64 2ghf h THR 152 N 0.00 0.26 -0.01 -5.08 2.02 -1.90 -3.49 112.91 104.70 2ghf h THR 152 Ca 0.00 -1.15 0.00 0.00 0.77 0.00 0.00 66.41 66.03 2ghf h THR 152 Cb 0.12 1.94 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 2ghf h THR 152 CO 0.00 0.13 0.00 0.49 0.37 0.00 0.00 175.52 176.51