#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 1.19 -0.41 3.04 0.00 -1.26 -4.94 121.76 119.38 2ghf s ALA -7 Ca 0.00 -2.02 0.23 0.00 0.00 0.00 0.00 51.96 50.17 2ghf s ALA -7 Cb 0.00 -1.66 0.06 0.00 0.00 0.00 0.00 23.12 21.52 2ghf s ALA -7 CO 0.00 -2.10 1.05 0.72 0.00 0.00 0.00 175.76 175.44 2ghf n HIS -6 N 3.93 0.60 -3.19 0.00 -0.00 -1.26 -3.96 115.22 111.34 2ghf n HIS -6 Ca 0.11 0.18 -0.44 0.00 -0.00 0.00 0.00 57.72 57.57 2ghf n HIS -6 Cb 0.37 -0.71 0.00 0.00 -0.00 0.00 0.00 29.99 29.65 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 -2.32 4.39 -4.79 4.41 -0.00 -1.26 -4.84 115.22 110.81 2ghf n HIS -5 Ca 0.01 -3.49 0.00 0.00 -0.00 0.00 0.00 57.72 54.24 2ghf n HIS -5 Cb 0.50 -1.63 0.00 0.00 -0.00 0.00 0.00 29.99 28.85 2ghf n HIS -5 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2ghf n HIS -4 N 2.56 -1.89 0.00 4.41 -0.00 -1.26 -4.84 115.22 114.21 2ghf n HIS -4 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.98 2ghf n HIS -4 Cb 0.38 0.28 0.00 0.00 -0.00 0.00 0.00 29.99 30.65 2ghf n HIS -4 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2ghf n HIS -3 N -1.79 0.00 -2.74 4.41 -0.00 -1.26 -4.22 115.22 109.62 2ghf n HIS -3 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.67 2ghf n HIS -3 Cb 0.00 -0.03 0.03 0.00 -0.00 0.00 0.00 29.99 29.99 2ghf n HIS -3 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2ghf n HIS -2 N -0.40 -3.09 -0.01 1.57 -0.00 -1.25 -5.06 115.22 106.98 2ghf n HIS -2 Ca 0.00 -1.35 -0.01 0.00 -0.00 0.00 0.00 57.72 56.36 2ghf n HIS -2 Cb 0.00 1.44 -0.01 0.00 -0.00 0.00 0.00 29.99 31.42 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 4.47 -0.08 -2.32 1.57 -0.00 -1.79 -3.41 115.15 113.59 2ghf h HIS -1 Ca -0.03 -0.00 -0.64 0.00 -0.00 0.00 0.00 60.37 59.69 2ghf h HIS -1 Cb 1.10 0.03 -0.15 0.00 -0.00 0.00 0.00 27.41 28.39 2ghf h HIS -1 CO 0.04 -0.05 0.82 1.21 -0.00 0.00 0.00 177.93 179.95 2ghf s ASN 60 N -5.25 6.40 0.08 3.26 2.47 -1.26 -4.76 114.94 115.87 2ghf s ASN 60 Ca -0.01 -1.44 0.19 0.00 0.42 0.00 0.00 52.86 52.02 2ghf s ASN 60 Cb 0.00 -2.44 -0.12 0.00 -1.45 0.00 0.00 41.25 37.24 2ghf s ASN 60 CO 0.04 -1.33 0.81 0.00 -3.72 0.00 0.00 177.10 172.90 2ghf n GLN 61 N 7.52 0.62 0.00 0.43 6.02 -1.26 -4.94 117.38 125.77 2ghf n GLN 61 Ca 0.13 0.15 0.00 0.00 -0.01 0.00 0.00 57.00 57.27 2ghf n GLN 61 Cb 0.48 -1.77 0.00 0.00 1.02 0.00 0.00 30.24 29.96 2ghf n GLN 61 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2ghf n GLN 62 N -2.77 0.00 0.00 -1.09 1.13 -1.26 -4.88 117.38 108.51 2ghf n GLN 62 Ca -0.08 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.98 2ghf n GLN 62 Cb 0.76 -0.04 0.00 0.00 0.11 0.00 0.00 30.24 31.06 2ghf n GLN 62 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2ghf n ASN 63 N 1.92 0.00 -0.00 1.08 4.13 -1.26 -0.50 115.26 120.63 2ghf n ASN 63 Ca 0.00 0.00 -0.01 0.00 1.68 0.00 0.00 54.58 56.25 2ghf n ASN 63 Cb 0.00 0.00 -0.11 0.00 -1.54 0.00 0.00 39.78 38.13 2ghf n ASN 63 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 2ghf n LYS 64 N 0.00 0.64 0.00 3.52 4.81 -1.26 -4.97 118.16 120.90 2ghf n LYS 64 Ca 0.00 0.12 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 2ghf n LYS 64 Cb 0.00 -1.71 0.00 0.00 0.02 0.00 0.00 35.03 33.34 2ghf n LYS 64 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2ghf n LYS 65 N -2.78 0.00 0.00 1.64 0.00 0.35 -4.22 118.16 113.15 2ghf n LYS 65 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.17 2ghf n LYS 65 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.91 2ghf n LYS 65 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 2ghf n VAL 66 N 0.00 0.00 0.06 3.15 3.14 -1.26 -4.90 118.33 118.52 2ghf n VAL 66 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2ghf n VAL 66 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2ghf n VAL 66 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 2ghf n GLU 67 N -0.40 0.00 -3.07 1.45 0.28 -1.26 -5.06 120.64 112.58 2ghf n GLU 67 Ca 0.00 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 57.02 2ghf n GLU 67 Cb 0.00 -0.06 -0.00 0.00 1.43 0.00 0.00 31.44 32.80 2ghf n GLU 67 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 2ghf s GLY 68 N -4.95 -1.33 0.00 -1.84 0.00 -1.26 -5.04 107.32 92.91 2ghf s GLY 68 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 44.72 45.49 2ghf s GLY 68 CO 0.00 3.89 0.00 0.61 0.00 0.00 0.00 173.10 177.60 2ghf n GLY 69 N 4.38 0.51 3.33 0.20 0.00 -1.26 -3.91 105.19 108.44 2ghf n GLY 69 Ca 0.09 -1.60 -0.37 0.00 0.00 0.00 0.00 46.02 44.13 2ghf n GLY 69 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ghf s TYR 70 N -3.15 3.14 0.12 1.61 2.02 0.80 -4.80 117.35 117.09 2ghf s TYR 70 Ca 0.00 -1.04 -0.19 0.00 -0.37 0.00 0.00 57.07 55.47 2ghf s TYR 70 Cb 0.00 -2.24 -0.07 0.00 -0.40 0.00 0.00 41.96 39.25 2ghf s TYR 70 CO 0.00 -0.59 0.61 -2.00 -1.57 0.00 0.00 175.55 172.00 2ghf s GLU 71 N 1.48 4.21 0.07 -0.62 2.12 -1.26 -1.35 118.70 123.36 2ghf s GLU 71 Ca 0.02 0.76 -0.22 0.00 0.36 0.00 0.00 54.97 55.90 2ghf s GLU 71 Cb -0.17 -3.12 -0.06 0.00 0.26 0.00 0.00 34.13 31.03 2ghf s GLU 71 CO 0.02 0.56 0.64 0.00 -0.54 0.00 0.00 175.26 175.94 2ghf h LYS 73 N 4.90 0.00 -0.50 0.00 3.11 -0.83 -3.06 116.57 120.19 2ghf h LYS 73 Ca -0.47 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.37 2ghf h LYS 73 Cb 1.21 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.44 2ghf h LYS 73 CO 0.66 0.12 0.00 2.48 -2.81 0.00 0.00 179.45 179.91 2ghf n TYR 74 N -3.36 0.66 -3.71 1.91 4.11 -1.26 -4.64 117.16 110.86 2ghf n TYR 74 Ca -0.01 -0.49 -0.10 0.00 -0.00 0.00 0.00 57.90 57.31 2ghf n TYR 74 Cb 0.32 -0.02 -0.03 0.00 -0.00 0.00 0.00 39.34 39.61 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 -0.37 0.68 -3.69 0.00 5.66 -1.26 -4.34 114.28 110.96 2ghf n THR 76 Ca -0.10 -0.53 -0.37 0.00 -3.05 0.00 0.00 64.05 60.01 2ghf n THR 76 Cb 0.62 0.10 -0.10 0.00 -1.55 0.00 0.00 70.33 69.40 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 -1.59 3.26 0.06 1.09 0.08 -1.26 -5.02 117.98 114.60 2ghf s PHE 77 Ca 0.25 0.11 0.09 0.00 0.12 0.00 0.00 56.93 57.50 2ghf s PHE 77 Cb 0.14 -2.27 -0.03 0.00 -0.57 0.00 0.00 43.02 40.29 2ghf s PHE 77 CO 0.14 -0.02 -0.24 -1.14 -0.10 0.00 0.00 175.22 173.86 2ghf s GLN 78 N 1.20 1.56 -0.10 0.44 0.74 -1.26 -3.29 119.66 118.94 2ghf s GLN 78 Ca 0.07 -1.09 -0.05 0.00 0.05 0.00 0.00 55.36 54.34 2ghf s GLN 78 Cb -0.14 -1.76 0.05 0.00 1.10 0.00 0.00 33.01 32.25 2ghf s GLN 78 CO 0.05 0.45 0.23 -0.08 -0.55 0.00 0.00 175.29 175.39 2ghf s THR 79 N -0.86 -0.08 -1.85 -0.34 -1.32 -0.45 -4.89 115.64 105.84 2ghf s THR 79 Ca 0.10 0.17 0.19 0.00 -1.21 0.00 0.00 61.69 60.95 2ghf s THR 79 Cb -0.10 -0.36 0.49 0.00 -1.51 0.00 0.00 72.50 71.02 2ghf s THR 79 CO 0.03 0.07 1.55 -0.81 -2.21 0.00 0.00 174.62 173.24 2ghf n PRO 80 N 4.37 0.51 -3.27 7.08 -0.04 -1.25 -0.14 135.00 142.26 2ghf n PRO 80 Ca -0.23 0.03 -0.42 0.00 -0.04 0.00 0.00 63.50 62.83 2ghf n PRO 80 Cb 0.52 -1.50 -0.08 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 -2.15 6.24 0.21 3.54 1.11 -1.26 -4.83 116.67 119.53 2ghf s ASP 81 Ca 0.26 -0.43 -0.10 0.00 0.18 0.00 0.00 52.55 52.46 2ghf s ASP 81 Cb 0.13 -2.25 0.26 0.00 1.07 0.00 0.00 42.92 42.14 2ghf s ASP 81 CO 0.24 -0.58 1.75 0.25 1.18 0.00 0.00 175.17 178.01 2ghf h LEU 82 N 9.17 0.27 -0.50 1.23 7.12 -1.98 0.31 115.31 130.93 2ghf h LEU 82 Ca -0.27 0.07 0.03 0.00 0.13 0.00 0.00 57.88 57.84 2ghf h LEU 82 Cb 1.11 0.03 -0.04 0.00 -0.53 0.00 0.00 40.66 41.24 2ghf h LEU 82 CO 0.80 0.17 0.29 -1.13 -0.13 0.00 0.00 178.44 178.43 2ghf h ASN 83 N 0.44 0.45 0.40 1.25 -1.24 -1.97 0.24 115.58 115.16 2ghf h ASN 83 Ca 0.30 0.01 -0.14 0.00 0.71 0.00 0.00 56.30 57.19 2ghf h ASN 83 Cb 0.34 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.30 2ghf h ASN 83 CO -0.28 0.32 -0.58 0.24 -1.29 0.00 0.00 177.43 175.84 2ghf h MET 84 N 0.57 0.18 0.40 6.67 2.86 -1.73 0.14 114.93 124.02 2ghf h MET 84 Ca 0.21 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 2ghf h MET 84 Cb 0.05 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.73 2ghf h MET 84 CO -0.11 0.71 -0.19 0.35 1.06 0.00 0.00 176.91 178.73 2ghf h PHE 85 N 0.14 -0.50 0.00 -0.22 3.57 0.78 0.20 116.94 120.92 2ghf h PHE 85 Ca -0.00 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.41 2ghf h PHE 85 Cb 1.05 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.95 2ghf h PHE 85 CO 0.02 -0.19 -0.38 0.00 -2.23 0.00 0.00 178.31 175.53 2ghf h THR 86 N -0.77 1.07 0.44 4.41 1.03 -0.49 0.78 112.91 119.39 2ghf h THR 86 Ca -0.05 -1.39 -0.02 0.00 -0.01 0.00 0.00 66.41 64.94 2ghf h THR 86 Cb 0.53 1.79 0.00 0.00 -1.07 0.00 0.00 68.15 69.40 2ghf h THR 86 CO 0.09 0.37 -0.21 0.15 -0.01 0.00 0.00 175.52 175.91 2ghf h PHE 87 N 0.00 -0.55 -0.21 0.00 3.57 -0.62 0.28 116.94 119.41 2ghf h PHE 87 Ca -0.00 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.50 2ghf h PHE 87 Cb 0.76 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 2ghf h PHE 87 CO 0.00 -0.23 0.14 1.25 -2.23 0.00 0.00 178.31 177.24 2ghf h HIS 88 N -0.92 0.22 0.23 0.41 2.76 -0.35 0.13 115.15 117.63 2ghf h HIS 88 Ca -0.06 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.10 2ghf h HIS 88 Cb 0.57 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.46 2ghf h HIS 88 CO 0.01 0.14 -0.11 0.28 -1.30 0.00 0.00 177.93 176.95 2ghf h VAL 89 N 0.24 0.68 0.00 5.26 2.07 -0.78 -0.47 116.25 123.25 2ghf h VAL 89 Ca 0.08 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 2ghf h VAL 89 Cb 0.04 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2ghf h VAL 89 CO -0.02 0.17 -0.03 -0.78 0.02 0.00 0.00 177.57 176.93 2ghf h ASP 90 N -0.89 0.00 0.10 0.57 3.58 0.14 0.34 116.42 120.26 2ghf h ASP 90 Ca -0.03 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.20 2ghf h ASP 90 Cb 0.50 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.56 2ghf h ASP 90 CO 0.05 0.03 -1.10 -1.28 -2.88 0.00 0.00 179.24 174.06 2ghf h SER 91 N 0.00 0.34 0.00 2.28 0.87 -0.81 -3.38 113.55 112.84 2ghf h SER 91 Ca -0.00 -0.86 -0.28 0.00 -1.23 0.00 0.00 61.79 59.42 2ghf h SER 91 Cb 0.06 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 61.86 2ghf h SER 91 CO 0.00 1.49 -2.06 -0.62 -0.53 0.00 0.00 176.83 175.11 2ghf n GLU 92 N -4.09 0.89 -3.09 2.24 1.02 -0.19 -4.80 120.64 112.63 2ghf n GLU 92 Ca -0.21 0.07 -0.19 0.00 -0.02 0.00 0.00 57.16 56.81 2ghf n GLU 92 Cb 0.82 -1.38 -0.03 0.00 -0.02 0.00 0.00 31.44 30.83 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 -2.87 -0.85 -0.00 -0.32 1.44 0.11 -5.00 115.22 107.72 2ghf n HIS 93 Ca -0.30 -3.26 -0.03 0.00 -2.01 0.00 0.00 57.72 52.13 2ghf n HIS 93 Cb 0.90 0.08 0.22 0.00 0.12 0.00 0.00 29.99 31.31 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 3.60 0.53 0.00 -1.40 0.13 -1.36 -3.41 132.00 130.09 2ghf h PRO 94 Ca 0.03 -0.17 -0.02 0.00 -0.87 0.00 0.00 66.00 64.97 2ghf h PRO 94 Cb 0.95 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.03 2ghf h PRO 94 CO 0.42 0.68 -1.08 -1.71 -0.23 0.00 0.00 178.00 176.08 2ghf n ASN 95 N -4.17 1.44 -1.05 1.44 2.85 -1.26 -4.86 115.26 109.65 2ghf n ASN 95 Ca 0.00 0.01 0.13 0.00 -0.11 0.00 0.00 54.58 54.61 2ghf n ASN 95 Cb 0.36 -0.03 -0.06 0.00 1.24 0.00 0.00 39.78 41.28 2ghf n ASN 95 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 2ghf n VAL 96 N -2.88 -0.30 -3.00 3.44 0.31 -1.26 -4.14 118.33 110.49 2ghf n VAL 96 Ca -0.03 0.50 -0.18 0.00 -0.01 0.00 0.00 64.34 64.63 2ghf n VAL 96 Cb 0.52 -0.86 0.01 0.00 -0.91 0.00 0.00 33.84 32.61 2ghf n VAL 96 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2ghf s VAL 97 N -3.37 3.10 0.47 2.52 -7.23 -1.26 -4.72 120.40 109.91 2ghf s VAL 97 Ca 0.00 -0.93 -0.23 0.00 -1.81 0.00 0.00 61.98 59.01 2ghf s VAL 97 Cb 0.00 -3.06 -0.08 0.00 0.56 0.00 0.00 36.38 33.79 2ghf s VAL 97 CO 0.00 -0.03 1.13 0.18 -0.31 0.00 0.00 175.10 176.08 2ghf n LEU 98 N -1.91 3.66 -3.61 1.32 7.99 -1.26 -4.82 117.00 118.37 2ghf n LEU 98 Ca 0.07 1.01 -0.02 0.00 -0.01 0.00 0.00 56.01 57.06 2ghf n LEU 98 Cb 0.59 -1.44 -0.01 0.00 -0.11 0.00 0.00 43.42 42.45 2ghf n LEU 98 CO 0.41 -1.16 1.01 0.54 -1.51 0.00 0.00 177.39 176.68 2ghf s ASN 99 N -0.79 -0.11 -0.29 -1.43 2.20 -1.26 -5.09 114.94 108.17 2ghf s ASN 99 Ca 0.66 -0.07 -0.05 0.00 -0.94 0.00 0.00 52.86 52.46 2ghf s ASN 99 Cb -0.49 0.17 0.02 0.00 -2.00 0.00 0.00 41.25 38.94 2ghf s ASN 99 CO 0.54 -0.29 0.04 -0.44 -2.94 0.00 0.00 177.10 174.01 2ghf s SER 100 N -2.53 4.92 0.30 3.54 0.01 -1.26 -4.51 113.70 114.19 2ghf s SER 100 Ca 0.11 -0.82 -0.06 0.00 1.31 0.00 0.00 55.95 56.50 2ghf s SER 100 Cb 0.01 -1.82 -0.00 0.00 0.21 0.00 0.00 66.02 64.43 2ghf s SER 100 CO -0.04 -0.19 0.46 -0.44 0.41 0.00 0.00 173.24 173.43 2ghf s SER 101 N 1.43 0.52 -0.05 2.44 0.01 -1.26 -5.04 113.70 111.76 2ghf s SER 101 Ca 0.01 -1.30 0.05 0.00 1.31 0.00 0.00 55.95 56.02 2ghf s SER 101 Cb -0.17 0.62 -0.02 0.00 0.21 0.00 0.00 66.02 66.66 2ghf s SER 101 CO 0.01 -1.23 -0.17 -0.31 0.41 0.00 0.00 173.24 171.95 2ghf s TYR 102 N -3.41 2.61 -0.01 2.43 1.51 -1.26 -0.87 117.35 118.35 2ghf s TYR 102 Ca 0.28 -0.26 0.04 0.00 -1.01 0.00 0.00 57.07 56.12 2ghf s TYR 102 Cb 0.00 -1.60 -0.01 0.00 -0.11 0.00 0.00 41.96 40.24 2ghf s TYR 102 CO 0.16 0.10 -0.13 0.54 -1.11 0.00 0.00 175.55 175.11 2ghf s VAL 103 N -0.64 1.06 -0.65 0.71 0.11 0.28 -2.19 120.40 119.07 2ghf s VAL 103 Ca 0.10 -0.56 -0.27 0.00 -2.93 0.00 0.00 61.98 58.32 2ghf s VAL 103 Cb -0.11 -0.89 0.03 0.00 -1.53 0.00 0.00 36.38 33.89 2ghf s VAL 103 CO 0.00 0.30 1.19 0.00 -3.33 0.00 0.00 175.10 173.26 2ghf h VAL 105 N 6.07 0.81 -0.91 0.00 2.07 -1.79 1.18 116.25 123.68 2ghf h VAL 105 Ca -0.27 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.14 2ghf h VAL 105 Cb 1.06 0.31 -0.06 0.00 -1.52 0.00 0.00 31.29 31.08 2ghf h VAL 105 CO 1.22 0.08 0.60 -0.33 0.02 0.00 0.00 177.57 179.16 2ghf h GLU 106 N 0.46 1.06 0.00 1.57 4.39 -1.89 -2.27 114.58 117.90 2ghf h GLU 106 Ca 0.38 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 60.01 2ghf h GLU 106 Cb 0.80 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 2ghf h GLU 106 CO -0.13 0.70 -1.70 0.00 -1.16 0.00 0.00 179.01 176.72 2ghf n ASN 108 N -2.04 -2.46 -4.22 0.00 2.85 0.39 -5.01 115.26 104.77 2ghf n ASN 108 Ca -0.03 -0.74 -0.33 0.00 -0.11 0.00 0.00 54.58 53.38 2ghf n ASN 108 Cb 0.43 -4.60 -0.16 0.00 1.24 0.00 0.00 39.78 36.70 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 -3.50 2.73 -0.15 1.20 -0.12 -1.00 -4.91 117.98 112.24 2ghf s PHE 109 Ca 0.09 -1.18 -0.15 0.00 -0.05 0.00 0.00 56.93 55.64 2ghf s PHE 109 Cb -0.02 -1.86 -0.04 0.00 -0.63 0.00 0.00 43.02 40.47 2ghf s PHE 109 CO 0.77 -0.54 0.35 -0.51 -0.05 0.00 0.00 175.22 175.25 2ghf s LEU 110 N 0.82 4.26 0.27 -1.99 1.43 -1.25 -1.59 118.68 120.63 2ghf s LEU 110 Ca -0.06 0.61 0.10 0.00 -1.03 0.00 0.00 54.13 53.75 2ghf s LEU 110 Cb -0.15 -2.48 -0.05 0.00 0.03 0.00 0.00 46.19 43.53 2ghf s LEU 110 CO -0.01 0.07 -0.14 0.28 0.23 0.00 0.00 176.35 176.78 2ghf s THR 111 N 0.51 2.12 -1.62 5.49 -1.32 -0.93 -0.14 115.64 119.74 2ghf s THR 111 Ca 0.20 -2.27 0.30 0.00 -1.21 0.00 0.00 61.69 58.71 2ghf s THR 111 Cb -0.14 -2.33 0.61 0.00 -1.51 0.00 0.00 72.50 69.13 2ghf s THR 111 CO 0.06 -0.39 2.06 0.29 -2.21 0.00 0.00 174.62 174.43 2ghf n LYS 112 N -0.59 0.63 -4.01 7.08 5.02 -1.26 -4.21 118.16 120.82 2ghf n LYS 112 Ca -0.06 -0.05 -0.10 0.00 -2.02 0.00 0.00 58.31 56.08 2ghf n LYS 112 Cb 0.61 -1.50 -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 -0.52 0.00 0.00 177.40 175.90 2ghf s ARG 113 N -2.40 0.39 0.26 1.97 1.70 -1.26 -5.03 118.95 114.58 2ghf s ARG 113 Ca 0.34 -0.70 0.24 0.00 -0.47 0.00 0.00 55.73 55.13 2ghf s ARG 113 Cb 0.21 0.03 0.36 0.00 -0.57 0.00 0.00 34.95 34.98 2ghf s ARG 113 CO 0.44 -0.03 1.44 1.88 -1.08 0.00 0.00 175.30 177.95 2ghf h TYR 114 N 4.47 0.00 -0.01 5.89 -1.99 -1.94 -3.30 116.97 120.09 2ghf h TYR 114 Ca -0.33 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.25 2ghf h TYR 114 Cb 1.20 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.91 2ghf h TYR 114 CO 0.65 0.00 -0.71 0.38 -0.00 0.00 0.00 178.16 178.48 2ghf h ASP 115 N 0.00 0.10 0.15 3.88 2.03 -1.99 -3.06 116.42 117.53 2ghf h ASP 115 Ca 0.00 -0.06 -0.01 0.00 -0.73 0.00 0.00 57.03 56.23 2ghf h ASP 115 Cb 0.89 -0.03 -0.00 0.00 -0.83 0.00 0.00 39.33 39.36 2ghf h ASP 115 CO 0.00 0.77 -0.04 0.00 -1.03 0.00 0.00 179.24 178.94 2ghf h ALA 116 N 1.23 1.37 0.00 4.15 0.00 -1.92 0.53 119.26 124.61 2ghf h ALA 116 Ca -0.01 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.63 2ghf h ALA 116 Cb 1.25 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 2ghf h ALA 116 CO 0.10 0.05 -1.19 -0.07 0.00 0.00 0.00 179.25 178.14 2ghf h LEU 117 N 0.00 0.00 -0.04 0.00 -0.00 -1.75 -2.57 115.31 110.96 2ghf h LEU 117 Ca -0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.78 2ghf h LEU 117 Cb 0.13 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.80 2ghf h LEU 117 CO 0.01 0.97 -0.36 0.28 -0.00 0.00 0.00 178.44 179.33 2ghf h SER 118 N 0.00 0.39 1.74 -0.43 0.02 -0.91 -3.06 113.55 111.29 2ghf h SER 118 Ca -0.09 -0.70 0.00 0.00 -0.84 0.00 0.00 61.79 60.16 2ghf h SER 118 Cb 1.82 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 64.24 2ghf h SER 118 CO 0.11 1.03 0.00 -0.33 -1.14 0.00 0.00 176.83 176.50 2ghf h GLU 119 N -0.22 0.00 -0.31 3.45 5.08 -1.24 -3.37 114.58 117.97 2ghf h GLU 119 Ca -0.03 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.38 2ghf h GLU 119 Cb 1.05 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.22 2ghf h GLU 119 CO 0.07 0.00 -0.47 1.25 -1.00 0.00 0.00 179.01 178.86 2ghf h HIS 120 N 0.00 -1.39 0.00 4.33 2.76 -1.34 0.14 115.15 119.64 2ghf h HIS 120 Ca 0.00 0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 2ghf h HIS 120 Cb 0.87 0.65 0.00 0.00 1.55 0.00 0.00 27.41 30.48 2ghf h HIS 120 CO 0.00 -0.48 0.00 -2.95 -1.30 0.00 0.00 177.93 173.20 2ghf h ASN 121 N -0.42 0.00 0.08 3.26 -1.07 -1.72 0.83 115.58 116.55 2ghf h ASN 121 Ca 0.10 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.46 2ghf h ASN 121 Cb 0.61 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.86 2ghf h ASN 121 CO -0.52 0.00 -0.04 0.25 0.07 0.00 0.00 177.43 177.19 2ghf h LEU 122 N 0.00 -0.09 0.00 6.14 5.85 -1.17 -3.03 115.31 123.01 2ghf h LEU 122 Ca 0.00 -0.48 -0.23 0.00 0.84 0.00 0.00 57.88 58.01 2ghf h LEU 122 Cb 0.32 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 2ghf h LEU 122 CO 0.00 0.57 -1.89 2.29 -0.34 0.00 0.00 178.44 179.07 2ghf n LYS 123 N -4.81 0.69 -0.08 1.25 2.85 0.29 -4.37 118.16 113.98 2ghf n LYS 123 Ca -0.07 0.07 -0.14 0.00 -1.05 0.00 0.00 58.31 57.13 2ghf n LYS 123 Cb 0.28 -1.32 -0.09 0.00 -0.65 0.00 0.00 35.03 33.25 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 -2.44 5.58 -1.99 0.22 -3.41 116.97 114.93 2ghf h TYR 124 Ca -0.35 0.00 -0.65 0.00 2.00 0.00 0.00 58.73 59.73 2ghf h TYR 124 Cb 1.59 0.00 -0.39 0.00 2.00 0.00 0.00 36.73 39.93 2ghf h TYR 124 CO 0.01 0.90 -0.26 0.72 -0.00 0.00 0.00 178.16 179.54 2ghf n HIS 125 N -4.57 3.35 -2.40 4.88 8.25 0.18 -4.94 115.22 119.98 2ghf n HIS 125 Ca -0.16 -3.81 -0.37 0.00 -0.26 0.00 0.00 57.72 53.12 2ghf n HIS 125 Cb 0.45 -0.74 -0.02 0.00 1.12 0.00 0.00 29.99 30.80 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 -2.47 3.93 0.00 -0.41 0.04 -1.14 -4.29 135.00 130.66 2ghf s PRO 126 Ca 0.37 1.64 0.00 0.00 0.04 0.00 0.00 61.00 63.05 2ghf s PRO 126 Cb 0.11 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 32.20 2ghf s PRO 126 CO 0.00 -0.37 0.00 0.41 0.04 0.00 0.00 177.00 177.08 2ghf n GLY 127 N 0.36 1.84 3.80 0.56 0.00 -1.26 -4.99 105.19 105.50 2ghf n GLY 127 Ca 0.06 -0.13 -0.05 0.00 0.00 0.00 0.00 46.02 45.90 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 1.45 -0.50 1.61 -1.05 -1.26 -5.11 118.70 113.83 2ghf s GLU 128 Ca 0.00 -0.84 0.03 0.00 -0.15 0.00 0.00 54.97 54.01 2ghf s GLU 128 Cb 0.00 0.47 0.13 0.00 -0.44 0.00 0.00 34.13 34.29 2ghf s GLU 128 CO 0.00 -0.67 0.25 -2.00 0.95 0.00 0.00 175.26 173.79 2ghf s GLU 129 N -3.19 1.98 -0.36 -4.83 2.12 -1.26 -4.70 118.70 108.46 2ghf s GLU 129 Ca 0.14 -2.44 0.04 0.00 0.36 0.00 0.00 54.97 53.07 2ghf s GLU 129 Cb -0.03 -3.38 0.16 0.00 0.26 0.00 0.00 34.13 31.15 2ghf s GLU 129 CO 0.05 -1.09 0.43 -0.80 -0.54 0.00 0.00 175.26 173.31 2ghf s ASN 130 N 0.18 0.49 -0.07 -1.70 0.01 -1.26 -5.13 114.94 107.46 2ghf s ASN 130 Ca 0.15 -1.11 0.03 0.00 -0.71 0.00 0.00 52.86 51.22 2ghf s ASN 130 Cb -0.24 0.96 -0.02 0.00 0.41 0.00 0.00 41.25 42.36 2ghf s ASN 130 CO -0.02 -0.27 -0.13 -0.36 -1.51 0.00 0.00 177.10 174.81 2ghf s PHE 131 N 1.81 2.75 0.35 2.20 0.08 -1.26 -3.84 117.98 120.08 2ghf s PHE 131 Ca 0.15 -0.22 0.08 0.00 0.12 0.00 0.00 56.93 57.06 2ghf s PHE 131 Cb -0.12 -1.68 -0.04 0.00 -0.57 0.00 0.00 43.02 40.60 2ghf s PHE 131 CO -0.12 0.13 0.14 -1.59 -0.10 0.00 0.00 175.22 173.69 2ghf s LYS 132 N -0.54 2.35 -0.01 0.44 -2.85 0.18 -4.94 119.74 114.37 2ghf s LYS 132 Ca 0.07 -1.59 0.07 0.00 -1.00 0.00 0.00 55.97 53.53 2ghf s LYS 132 Cb -0.12 -2.15 -0.02 0.00 -2.06 0.00 0.00 37.83 33.49 2ghf s LYS 132 CO 0.02 0.08 -0.23 -0.48 0.10 0.00 0.00 175.35 174.84 2ghf s LEU 133 N -3.85 2.06 -0.13 2.77 2.34 -1.26 -1.38 118.68 119.22 2ghf s LEU 133 Ca 0.38 -0.42 -0.06 0.00 0.06 0.00 0.00 54.13 54.09 2ghf s LEU 133 Cb -0.02 -1.16 0.06 0.00 -0.56 0.00 0.00 46.19 44.51 2ghf s LEU 133 CO 0.23 0.27 0.29 0.28 -1.06 0.00 0.00 176.35 176.36 2ghf s THR 134 N -0.56 -0.26 -0.49 5.48 -1.32 0.10 -4.96 115.64 113.64 2ghf s THR 134 Ca 0.09 0.20 -0.17 0.00 -1.21 0.00 0.00 61.69 60.59 2ghf s THR 134 Cb -0.09 -0.46 0.06 0.00 -1.51 0.00 0.00 72.50 70.50 2ghf s THR 134 CO -0.01 0.08 0.51 -0.04 -2.21 0.00 0.00 174.62 172.95 2ghf s MET 135 N 1.90 3.05 -0.24 7.08 1.00 -1.26 0.41 119.30 131.24 2ghf s MET 135 Ca -0.04 -1.12 -0.03 0.00 0.00 0.00 0.00 55.69 54.50 2ghf s MET 135 Cb -0.11 -4.11 0.13 0.00 0.00 0.00 0.00 34.83 30.74 2ghf s MET 135 CO -0.09 -1.12 0.36 0.14 0.00 0.00 0.00 175.02 174.30 2ghf s VAL 136 N 2.13 -0.56 -0.21 -6.03 -7.23 -1.21 -4.94 120.40 102.36 2ghf s VAL 136 Ca 0.10 -0.09 -0.04 0.00 -1.81 0.00 0.00 61.98 60.14 2ghf s VAL 136 Cb -0.22 -0.80 0.07 0.00 0.56 0.00 0.00 36.38 35.99 2ghf s VAL 136 CO 0.09 -0.14 0.08 -0.75 -0.31 0.00 0.00 175.10 174.07 2ghf s LYS 137 N 2.51 0.30 0.14 4.82 2.47 -1.26 -4.73 119.74 124.00 2ghf s LYS 137 Ca 0.12 -0.32 0.02 0.00 -1.56 0.00 0.00 55.97 54.23 2ghf s LYS 137 Cb -0.15 -1.81 -0.04 0.00 -1.46 0.00 0.00 37.83 34.37 2ghf s LYS 137 CO -0.16 -0.74 0.28 1.03 0.16 0.00 0.00 175.35 175.92 2ghf s ARG 138 N 2.02 3.44 0.00 4.03 3.00 -1.26 -4.10 118.95 126.08 2ghf s ARG 138 Ca 0.03 -0.58 0.00 0.00 0.00 0.00 0.00 55.73 55.18 2ghf s ARG 138 Cb -0.16 -2.97 0.00 0.00 0.00 0.00 0.00 34.95 31.82 2ghf s ARG 138 CO -0.15 0.53 0.00 -1.71 0.00 0.00 0.00 175.30 173.97 2ghf n ASN 139 N -0.48 0.00 -3.22 0.23 2.85 -1.26 -4.77 115.26 108.61 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 0.54 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.56 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 2.74 0.00 -4.96 1.20 3.02 -1.26 -4.98 115.26 111.02 2ghf n ASN 140 Ca 0.00 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.33 2ghf n ASN 140 Cb 0.00 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.18 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 3.05 -0.44 3.52 0.00 -1.26 -5.00 119.66 119.54 2ghf s GLN 141 Ca 0.00 -0.61 -0.20 0.00 -0.00 0.00 0.00 55.36 54.55 2ghf s GLN 141 Cb 0.00 -2.61 0.02 0.00 0.00 0.00 0.00 33.01 30.42 2ghf s GLN 141 CO 0.00 -0.22 0.59 0.95 0.00 0.00 0.00 175.29 176.61 2ghf s THR 142 N -2.48 4.90 0.12 3.63 -4.23 -1.26 -4.44 115.64 111.88 2ghf s THR 142 Ca 0.48 -0.04 0.04 0.00 -1.18 0.00 0.00 61.69 60.99 2ghf s THR 142 Cb -0.10 -4.17 -0.04 0.00 1.34 0.00 0.00 72.50 69.53 2ghf s THR 142 CO 0.36 -0.56 -0.10 0.27 -0.54 0.00 0.00 174.62 174.05 2ghf s ILE 143 N 2.63 1.00 -0.12 2.99 -5.25 -1.26 -4.68 121.20 116.52 2ghf s ILE 143 Ca 0.19 -1.83 -0.22 0.00 -0.99 0.00 0.00 60.65 57.80 2ghf s ILE 143 Cb -0.15 -1.59 -0.03 0.00 2.95 0.00 0.00 42.46 43.64 2ghf s ILE 143 CO 0.17 -0.66 0.67 -0.36 -1.79 0.00 0.00 174.94 172.97 2ghf s PHE 144 N -2.91 3.50 -0.06 1.37 0.40 -0.05 -3.29 117.98 116.95 2ghf s PHE 144 Ca 0.10 1.13 -0.07 0.00 -0.60 0.00 0.00 56.93 57.49 2ghf s PHE 144 Cb 0.00 -2.79 -0.04 0.00 0.51 0.00 0.00 43.02 40.69 2ghf s PHE 144 CO -0.00 -0.00 0.21 -1.21 0.70 0.00 0.00 175.22 174.91 2ghf s GLU 145 N 1.20 3.53 -0.23 0.44 2.02 0.17 -0.56 118.70 125.27 2ghf s GLU 145 Ca 0.34 -0.08 0.02 0.00 0.02 0.00 0.00 54.97 55.27 2ghf s GLU 145 Cb -0.17 -3.15 0.05 0.00 0.10 0.00 0.00 34.13 30.95 2ghf s GLU 145 CO 0.15 0.72 -0.13 -1.14 0.02 0.00 0.00 175.26 174.88 2ghf s GLN 146 N -1.33 2.38 0.28 1.61 0.74 0.17 0.00 119.66 123.52 2ghf s GLN 146 Ca 0.21 -1.12 0.09 0.00 0.05 0.00 0.00 55.36 54.58 2ghf s GLN 146 Cb -0.13 -2.72 -0.04 0.00 1.10 0.00 0.00 33.01 31.21 2ghf s GLN 146 CO 0.10 -0.46 0.02 0.99 -0.55 0.00 0.00 175.29 175.40 2ghf s THR 147 N 1.20 3.34 0.17 -0.34 2.01 -0.48 -2.39 115.64 119.16 2ghf s THR 147 Ca -0.04 -1.88 0.07 0.00 0.31 0.00 0.00 61.69 60.15 2ghf s THR 147 Cb -0.18 -2.87 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 2ghf s THR 147 CO -0.08 -0.33 0.02 -0.63 -0.69 0.00 0.00 174.62 172.91 2ghf s ILE 148 N -2.35 3.84 -2.00 1.82 1.01 -1.26 0.50 121.20 122.75 2ghf s ILE 148 Ca 0.33 -1.36 0.20 0.00 0.00 0.00 0.00 60.65 59.81 2ghf s ILE 148 Cb -0.05 -2.93 0.57 0.00 0.01 0.00 0.00 42.46 40.05 2ghf s ILE 148 CO 0.20 -0.10 1.47 -0.46 0.00 0.00 0.00 174.94 176.05 2ghf n ASN 149 N -0.13 3.45 0.16 3.58 2.04 -1.25 -4.38 115.26 118.72 2ghf n ASN 149 Ca -0.09 -2.00 0.00 0.00 -0.44 0.00 0.00 54.58 52.05 2ghf n ASN 149 Cb 0.55 -0.43 0.00 0.00 -2.53 0.00 0.00 39.78 37.37 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 1.39 -1.73 -0.35 0.53 2.03 -1.26 -4.88 116.55 112.28 2ghf n ASP 150 Ca 0.22 0.57 0.00 0.00 0.52 0.00 0.00 54.79 56.10 2ghf n ASP 150 Cb 0.54 1.76 0.01 0.00 -0.72 0.00 0.00 41.12 42.71 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 -3.30 0.73 -0.20 -2.67 4.77 -1.26 -3.84 117.00 111.23 2ghf n LEU 151 Ca 0.00 -0.37 0.09 0.00 -0.03 0.00 0.00 56.01 55.70 2ghf n LEU 151 Cb 0.00 -0.33 0.38 0.00 -2.33 0.00 0.00 43.42 41.14 2ghf n LEU 151 CO 0.00 0.17 1.22 0.74 -1.33 0.00 0.00 177.39 178.19 2ghf h THR 152 N 0.09 0.95 -0.01 -5.08 2.02 -1.90 -3.48 112.91 105.50 2ghf h THR 152 Ca 0.00 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.94 2ghf h THR 152 Cb 0.35 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 2ghf h THR 152 CO 0.01 0.13 0.00 0.49 0.37 0.00 0.00 175.52 176.51