#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 -0.37 -1.87 3.17 0.00 -1.26 -4.65 120.51 115.53 2ghf n ALA -7 Ca 0.00 0.04 0.02 0.00 0.00 0.00 0.00 53.44 53.51 2ghf n ALA -7 Cb 0.00 -0.13 0.03 0.00 0.00 0.00 0.00 19.45 19.35 2ghf n ALA -7 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2ghf n HIS -6 N -2.08 0.00 1.04 0.00 -0.00 -1.26 -4.84 115.22 108.08 2ghf n HIS -6 Ca 0.00 -0.24 0.12 0.00 -0.00 0.00 0.00 57.72 57.60 2ghf n HIS -6 Cb 0.06 -0.08 0.15 0.00 -0.00 0.00 0.00 29.99 30.13 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 -0.23 0.00 0.00 4.41 -0.00 -1.26 -4.94 115.22 113.20 2ghf n HIS -5 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.76 2ghf n HIS -5 Cb 0.72 -0.14 0.00 0.00 -0.00 0.00 0.00 29.99 30.58 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 -1.23 0.00 -2.51 4.41 -0.00 -1.26 -4.91 115.22 109.73 2ghf n HIS -4 Ca 0.07 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.37 2ghf n HIS -4 Cb 0.35 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.30 2ghf n HIS -4 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2ghf s HIS -3 N 0.00 3.56 0.01 1.57 0.09 -1.26 -4.94 115.29 114.32 2ghf s HIS -3 Ca 0.00 1.52 -0.12 0.00 -0.00 0.00 0.00 55.06 56.46 2ghf s HIS -3 Cb 0.00 -3.30 -0.33 0.00 -0.00 0.00 0.00 32.58 28.95 2ghf s HIS -3 CO 0.00 -0.74 0.91 1.25 -0.00 0.00 0.00 174.74 176.16 2ghf h HIS -2 N 5.75 0.82 0.00 1.40 6.17 -1.96 -3.46 115.15 123.88 2ghf h HIS -2 Ca -0.43 -0.60 0.00 0.00 0.71 0.00 0.00 60.37 60.05 2ghf h HIS -2 Cb 1.21 -0.03 0.00 0.00 2.52 0.00 0.00 27.41 31.11 2ghf h HIS -2 CO 0.64 1.55 0.00 0.72 0.71 0.00 0.00 177.93 181.56 2ghf n HIS -1 N -3.64 0.00 -3.40 5.26 8.25 -1.26 -5.03 115.22 115.40 2ghf n HIS -1 Ca -0.18 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.04 2ghf n HIS -1 Cb 1.09 0.15 0.06 0.00 1.12 0.00 0.00 29.99 32.41 2ghf n HIS -1 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2ghf n ASN 60 N -1.99 -6.14 -0.07 0.41 5.15 -1.26 -4.93 115.26 106.43 2ghf n ASN 60 Ca 0.00 -0.46 -0.08 0.00 -0.60 0.00 0.00 54.58 53.44 2ghf n ASN 60 Cb 0.00 -4.88 -0.05 0.00 -0.53 0.00 0.00 39.78 34.31 2ghf n ASN 60 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 2ghf h GLN 61 N -2.13 0.00 0.00 1.20 4.20 -2.01 -3.44 115.11 112.93 2ghf h GLN 61 Ca -0.55 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.16 2ghf h GLN 61 Cb 1.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.15 2ghf h GLN 61 CO 0.57 0.38 0.00 0.94 -0.67 0.00 0.00 178.83 180.05 2ghf n GLN 62 N -4.63 0.00 -2.56 1.46 7.27 -1.26 -5.10 117.38 112.56 2ghf n GLN 62 Ca -0.10 0.00 -0.01 0.00 0.07 0.00 0.00 57.00 56.95 2ghf n GLN 62 Cb 0.31 -0.45 -0.01 0.00 2.41 0.00 0.00 30.24 32.49 2ghf n GLN 62 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 2ghf n ASN 63 N -2.46 -5.84 -0.20 1.69 5.15 -1.26 -4.93 115.26 107.41 2ghf n ASN 63 Ca 0.00 1.27 -0.00 0.00 -0.60 0.00 0.00 54.58 55.25 2ghf n ASN 63 Cb 0.00 -4.88 0.10 0.00 -0.53 0.00 0.00 39.78 34.47 2ghf n ASN 63 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 2ghf h LYS 64 N 2.95 0.38 0.00 1.20 1.79 -2.01 -3.48 116.57 117.40 2ghf h LYS 64 Ca -0.12 -0.02 0.21 0.00 -2.18 0.00 0.00 60.65 58.54 2ghf h LYS 64 Cb 0.26 -0.09 -0.05 0.00 -1.58 0.00 0.00 32.23 30.77 2ghf h LYS 64 CO 0.07 0.25 -0.28 1.63 -1.08 0.00 0.00 179.45 180.04 2ghf n LYS 65 N -5.00 -1.56 -2.75 3.15 4.76 -1.26 -4.66 118.16 110.82 2ghf n LYS 65 Ca 0.08 1.03 -0.43 0.00 -2.87 0.00 0.00 58.31 56.13 2ghf n LYS 65 Cb 0.27 -1.91 -0.03 0.00 -1.84 0.00 0.00 35.03 31.52 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 -1.54 4.72 0.00 -0.18 0.11 -1.26 -4.96 120.40 117.29 2ghf s VAL 66 Ca 0.00 1.78 0.00 0.00 -2.93 0.00 0.00 61.98 60.83 2ghf s VAL 66 Cb 0.00 -4.25 0.00 0.00 -1.53 0.00 0.00 36.38 30.60 2ghf s VAL 66 CO 0.00 -0.19 0.00 -0.62 -3.33 0.00 0.00 175.10 170.96 2ghf n GLU 67 N 6.28 0.00 0.00 1.54 1.02 -1.26 -4.96 120.64 123.26 2ghf n GLU 67 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 2ghf n GLU 67 Cb 0.47 -0.21 0.00 0.00 -0.02 0.00 0.00 31.44 31.68 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 2.62 1.00 0.00 0.62 0.00 -1.26 -5.02 105.19 103.15 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 4.32 3.21 -0.02 0.00 -1.26 -4.72 105.19 106.72 2ghf n GLY 69 Ca 0.00 -1.72 -0.36 0.00 0.00 0.00 0.00 46.02 43.94 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 3.46 3.30 -0.08 1.61 2.02 0.14 -4.78 117.35 123.02 2ghf s TYR 70 Ca 0.00 -1.74 -0.22 0.00 -0.37 0.00 0.00 57.07 54.74 2ghf s TYR 70 Cb 0.00 -2.35 -0.04 0.00 -0.40 0.00 0.00 41.96 39.17 2ghf s TYR 70 CO 0.00 -0.80 0.64 -2.00 -1.57 0.00 0.00 175.55 171.82 2ghf s GLU 71 N 1.31 4.41 0.45 -0.62 2.12 -1.26 -2.12 118.70 122.98 2ghf s GLU 71 Ca -0.02 0.75 -0.20 0.00 0.36 0.00 0.00 54.97 55.86 2ghf s GLU 71 Cb -0.20 -3.45 -0.10 0.00 0.26 0.00 0.00 34.13 30.64 2ghf s GLU 71 CO 0.00 0.09 0.96 0.00 -0.54 0.00 0.00 175.26 175.77 2ghf h LYS 73 N 1.73 0.23 -0.60 0.00 1.63 -0.64 -3.31 116.57 115.60 2ghf h LYS 73 Ca -0.49 -0.16 0.00 0.00 -0.85 0.00 0.00 60.65 59.15 2ghf h LYS 73 Cb 1.18 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 2ghf h LYS 73 CO 0.61 0.78 0.00 0.66 -3.45 0.00 0.00 179.45 178.05 2ghf n TYR 74 N -3.85 0.80 -3.49 1.91 4.01 -1.26 -4.58 117.16 110.70 2ghf n TYR 74 Ca -0.02 -0.46 -0.14 0.00 -0.16 0.00 0.00 57.90 57.12 2ghf n TYR 74 Cb 0.64 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 39.62 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 0.32 0.28 -2.84 0.00 -1.04 -1.26 -3.69 114.28 106.05 2ghf n THR 76 Ca -0.16 -0.39 -0.43 0.00 -2.04 0.00 0.00 64.05 61.03 2ghf n THR 76 Cb 0.60 0.36 -0.04 0.00 -1.82 0.00 0.00 70.33 69.43 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 -1.72 2.88 0.01 -1.42 0.08 -1.26 -4.93 117.98 111.61 2ghf s PHE 77 Ca 0.31 0.20 0.03 0.00 0.12 0.00 0.00 56.93 57.58 2ghf s PHE 77 Cb 0.16 -3.98 -0.04 0.00 -0.57 0.00 0.00 43.02 38.60 2ghf s PHE 77 CO 0.24 -1.19 -0.03 -1.14 -0.10 0.00 0.00 175.22 173.00 2ghf s GLN 78 N 3.79 2.65 -0.11 0.44 0.74 -1.26 -4.10 119.66 121.81 2ghf s GLN 78 Ca 0.34 -0.68 -0.07 0.00 0.05 0.00 0.00 55.36 54.99 2ghf s GLN 78 Cb -0.11 -2.58 0.04 0.00 1.10 0.00 0.00 33.01 31.46 2ghf s GLN 78 CO 0.23 0.61 0.27 -0.08 -0.55 0.00 0.00 175.29 175.76 2ghf s THR 79 N -1.06 -0.02 -1.93 -0.34 -1.32 -0.90 -4.87 115.64 105.20 2ghf s THR 79 Ca 0.19 0.09 0.24 0.00 -1.21 0.00 0.00 61.69 60.99 2ghf s THR 79 Cb -0.11 -0.39 0.66 0.00 -1.51 0.00 0.00 72.50 71.14 2ghf s THR 79 CO 0.09 0.03 1.81 -0.81 -2.21 0.00 0.00 174.62 173.54 2ghf n PRO 80 N 3.73 0.71 -3.39 7.08 -0.04 -1.26 0.24 135.00 142.06 2ghf n PRO 80 Ca -0.20 0.01 -0.39 0.00 -0.04 0.00 0.00 63.50 62.88 2ghf n PRO 80 Cb 0.55 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.43 2ghf n PRO 80 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2ghf s ASP 81 N -2.07 6.33 0.18 3.54 -1.08 -1.26 -4.81 116.67 117.48 2ghf s ASP 81 Ca 0.35 0.38 -0.10 0.00 -0.52 0.00 0.00 52.55 52.66 2ghf s ASP 81 Cb 0.17 -2.22 0.07 0.00 -1.46 0.00 0.00 42.92 39.48 2ghf s ASP 81 CO 0.29 -0.14 1.66 0.25 0.52 0.00 0.00 175.17 177.75 2ghf h LEU 82 N 8.21 0.99 -0.38 -1.34 7.12 -1.98 0.24 115.31 128.17 2ghf h LEU 82 Ca -0.33 -0.28 -0.01 0.00 0.13 0.00 0.00 57.88 57.39 2ghf h LEU 82 Cb 1.16 -0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 41.01 2ghf h LEU 82 CO 0.68 1.02 0.21 -1.13 -0.13 0.00 0.00 178.44 179.09 2ghf h ASN 83 N 0.93 0.47 0.07 1.25 -0.00 -1.97 0.34 115.58 116.67 2ghf h ASN 83 Ca 0.18 -0.08 -0.15 0.00 -0.00 0.00 0.00 56.30 56.25 2ghf h ASN 83 Cb 0.47 -0.12 -0.01 0.00 -0.00 0.00 0.00 38.32 38.66 2ghf h ASN 83 CO 0.02 0.41 -0.51 0.24 -0.00 0.00 0.00 177.43 177.59 2ghf h MET 84 N 0.49 0.49 0.56 6.67 2.86 -1.93 -0.34 114.93 123.72 2ghf h MET 84 Ca 0.13 -0.29 -0.03 0.00 -2.06 0.00 0.00 59.70 57.46 2ghf h MET 84 Cb 0.04 0.03 0.01 0.00 0.06 0.00 0.00 31.60 31.73 2ghf h MET 84 CO -0.02 0.89 -0.27 0.35 1.06 0.00 0.00 176.91 178.92 2ghf h PHE 85 N 0.38 -0.69 0.00 -0.22 3.57 0.33 0.63 116.94 120.95 2ghf h PHE 85 Ca 0.01 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 2ghf h PHE 85 Cb 1.03 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.99 2ghf h PHE 85 CO 0.04 -0.40 -0.30 0.00 -2.23 0.00 0.00 178.31 175.41 2ghf h THR 86 N -0.81 0.84 0.20 4.41 1.03 -0.31 0.49 112.91 118.77 2ghf h THR 86 Ca -0.08 -1.23 -0.01 0.00 -0.01 0.00 0.00 66.41 65.09 2ghf h THR 86 Cb 0.60 1.75 0.00 0.00 -1.07 0.00 0.00 68.15 69.42 2ghf h THR 86 CO 0.13 0.30 -0.10 0.15 -0.01 0.00 0.00 175.52 175.99 2ghf h PHE 87 N 0.00 -0.25 0.00 0.00 3.57 -0.93 0.15 116.94 119.48 2ghf h PHE 87 Ca -0.00 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.41 2ghf h PHE 87 Cb 0.72 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 2ghf h PHE 87 CO 0.00 0.14 -0.37 1.12 -2.23 0.00 0.00 178.31 176.97 2ghf h HIS 88 N -0.75 0.00 0.42 0.41 2.07 -0.59 -1.11 115.15 115.60 2ghf h HIS 88 Ca -0.03 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.47 2ghf h HIS 88 Cb 0.51 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.49 2ghf h HIS 88 CO 0.06 0.37 -0.20 0.28 -3.07 0.00 0.00 177.93 175.37 2ghf h VAL 89 N 0.00 0.50 0.00 6.12 2.07 -0.90 0.20 116.25 124.24 2ghf h VAL 89 Ca -0.00 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 2ghf h VAL 89 Cb 0.71 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 2ghf h VAL 89 CO 0.05 0.08 -0.01 -0.78 0.02 0.00 0.00 177.57 176.93 2ghf h ASP 90 N -0.88 0.00 0.07 0.57 3.58 -0.69 0.42 116.42 119.49 2ghf h ASP 90 Ca -0.06 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.24 2ghf h ASP 90 Cb 0.56 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.61 2ghf h ASP 90 CO 0.09 0.01 -0.74 -1.28 -2.88 0.00 0.00 179.24 174.44 2ghf h SER 91 N 0.00 0.22 0.00 2.28 0.87 -1.14 -3.37 113.55 112.41 2ghf h SER 91 Ca -0.00 -0.88 -0.37 0.00 -1.23 0.00 0.00 61.79 59.31 2ghf h SER 91 Cb 0.01 -0.07 -0.07 0.00 -0.44 0.00 0.00 62.40 61.83 2ghf h SER 91 CO 0.00 1.32 -2.39 -0.62 -0.53 0.00 0.00 176.83 174.61 2ghf n GLU 92 N -4.29 0.68 -3.07 2.24 -0.58 0.70 -4.78 120.64 111.54 2ghf n GLU 92 Ca -0.18 0.10 -0.18 0.00 -0.42 0.00 0.00 57.16 56.49 2ghf n GLU 92 Cb 0.70 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 30.06 2ghf n GLU 92 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 2ghf n HIS 93 N -3.08 -0.93 -0.15 -0.32 1.44 0.13 -5.01 115.22 107.30 2ghf n HIS 93 Ca -0.40 -3.21 -0.11 0.00 -2.01 0.00 0.00 57.72 51.99 2ghf n HIS 93 Cb 1.02 0.15 0.01 0.00 0.12 0.00 0.00 29.99 31.29 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 3.53 0.97 0.00 -1.40 0.13 -1.37 -3.41 132.00 130.45 2ghf h PRO 94 Ca 0.03 -0.41 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2ghf h PRO 94 Cb 0.96 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.05 2ghf h PRO 94 CO 0.41 1.08 0.00 -1.71 -0.23 0.00 0.00 178.00 177.56 2ghf n ASN 95 N -4.11 0.00 -1.14 1.44 2.85 -1.26 -4.86 115.26 108.17 2ghf n ASN 95 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2ghf n ASN 95 Cb 0.45 -0.11 0.00 0.00 1.24 0.00 0.00 39.78 41.36 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 -2.06 -2.30 0.00 3.44 0.31 -1.26 -4.35 118.33 112.11 2ghf n VAL 96 Ca 0.00 1.12 0.00 0.00 -0.01 0.00 0.00 64.34 65.45 2ghf n VAL 96 Cb 0.00 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 31.11 2ghf n VAL 96 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2ghf n VAL 97 N -2.18 0.00 0.00 2.52 0.31 -1.26 -3.89 118.33 113.83 2ghf n VAL 97 Ca 0.00 0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.49 2ghf n VAL 97 Cb 0.32 -1.16 0.00 0.00 -0.91 0.00 0.00 33.84 32.09 2ghf n VAL 97 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2ghf n LEU 98 N -2.48 0.00 0.00 7.52 4.77 -1.26 -4.79 117.00 120.76 2ghf n LEU 98 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2ghf n LEU 98 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2ghf n LEU 98 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.39 176.65 2ghf n ASN 99 N 8.00 0.00 -4.85 -1.43 4.13 -1.26 -5.15 115.26 114.69 2ghf n ASN 99 Ca 0.00 -0.13 -0.35 0.00 1.68 0.00 0.00 54.58 55.78 2ghf n ASN 99 Cb 0.00 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.18 2ghf n ASN 99 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2ghf s SER 100 N 1.61 6.74 0.35 6.41 0.01 -1.26 -4.75 113.70 122.80 2ghf s SER 100 Ca 0.00 0.92 -0.11 0.00 1.31 0.00 0.00 55.95 58.07 2ghf s SER 100 Cb 0.00 -2.23 0.03 0.00 0.21 0.00 0.00 66.02 64.03 2ghf s SER 100 CO 0.00 0.18 0.64 -0.44 0.41 0.00 0.00 173.24 174.03 2ghf s SER 101 N -1.62 0.30 -0.02 2.44 0.01 -1.26 -4.98 113.70 108.57 2ghf s SER 101 Ca 0.33 -1.20 0.03 0.00 1.31 0.00 0.00 55.95 56.41 2ghf s SER 101 Cb -0.15 0.75 -0.03 0.00 0.21 0.00 0.00 66.02 66.80 2ghf s SER 101 CO 0.18 -1.46 -0.08 -0.31 0.41 0.00 0.00 173.24 171.97 2ghf s TYR 102 N -2.89 2.86 0.01 2.43 1.51 -1.26 0.10 117.35 120.12 2ghf s TYR 102 Ca 0.21 -0.04 0.03 0.00 -1.01 0.00 0.00 57.07 56.26 2ghf s TYR 102 Cb -0.03 -1.63 -0.01 0.00 -0.11 0.00 0.00 41.96 40.17 2ghf s TYR 102 CO 0.14 0.33 -0.11 0.54 -1.11 0.00 0.00 175.55 175.35 2ghf s VAL 103 N -0.90 0.83 -0.58 0.71 0.11 -0.04 -2.15 120.40 118.37 2ghf s VAL 103 Ca 0.15 -0.61 -0.26 0.00 -2.93 0.00 0.00 61.98 58.33 2ghf s VAL 103 Cb -0.11 -0.73 0.04 0.00 -1.53 0.00 0.00 36.38 34.05 2ghf s VAL 103 CO 0.05 0.12 1.06 0.00 -3.33 0.00 0.00 175.10 172.99 2ghf h VAL 105 N 6.07 0.91 -0.75 0.00 2.07 -1.80 1.03 116.25 123.78 2ghf h VAL 105 Ca -0.26 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 2ghf h VAL 105 Cb 1.07 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 2ghf h VAL 105 CO 1.14 0.07 0.42 -0.33 0.02 0.00 0.00 177.57 178.90 2ghf h GLU 106 N 0.39 1.02 0.00 1.57 4.39 -1.87 -2.53 114.58 117.55 2ghf h GLU 106 Ca 0.26 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.85 2ghf h GLU 106 Cb 0.50 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2ghf h GLU 106 CO -0.07 0.74 -0.86 0.00 -1.16 0.00 0.00 179.01 177.67 2ghf n ASN 108 N -1.45 -1.74 -4.00 0.00 5.03 0.35 -5.00 115.26 108.44 2ghf n ASN 108 Ca 0.02 -0.89 -0.28 0.00 0.87 0.00 0.00 54.58 54.30 2ghf n ASN 108 Cb 0.26 -3.75 -0.17 0.00 -1.02 0.00 0.00 39.78 35.11 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 -3.71 1.83 -0.10 3.10 -0.12 -1.03 -4.93 117.98 113.01 2ghf s PHE 109 Ca 0.09 -0.90 -0.12 0.00 -0.05 0.00 0.00 56.93 55.95 2ghf s PHE 109 Cb -0.03 -1.37 -0.05 0.00 -0.63 0.00 0.00 43.02 40.94 2ghf s PHE 109 CO 0.84 -0.51 0.29 -0.51 -0.05 0.00 0.00 175.22 175.28 2ghf s LEU 110 N 1.26 4.36 0.29 -1.99 1.43 -1.26 -1.49 118.68 121.26 2ghf s LEU 110 Ca -0.02 0.64 0.07 0.00 -1.03 0.00 0.00 54.13 53.79 2ghf s LEU 110 Cb -0.14 -2.36 -0.06 0.00 0.03 0.00 0.00 46.19 43.66 2ghf s LEU 110 CO -0.05 0.25 -0.05 0.28 0.23 0.00 0.00 176.35 177.01 2ghf s THR 111 N -0.42 1.65 -0.74 5.49 -1.32 -0.92 0.01 115.64 119.40 2ghf s THR 111 Ca 0.18 -2.12 0.23 0.00 -1.21 0.00 0.00 61.69 58.78 2ghf s THR 111 Cb -0.14 -2.48 0.23 0.00 -1.51 0.00 0.00 72.50 68.60 2ghf s THR 111 CO 0.07 -0.28 1.71 1.17 -2.21 0.00 0.00 174.62 175.09 2ghf n LYS 112 N -0.60 0.14 -4.04 7.08 4.81 -1.26 -4.37 118.16 119.92 2ghf n LYS 112 Ca -0.05 0.26 -0.11 0.00 -0.87 0.00 0.00 58.31 57.54 2ghf n LYS 112 Cb 0.64 -1.72 -0.11 0.00 0.02 0.00 0.00 35.03 33.86 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 -3.14 0.48 0.12 1.64 3.03 -1.26 -5.02 118.95 114.79 2ghf s ARG 113 Ca 0.08 -0.80 0.26 0.00 2.03 0.00 0.00 55.73 57.30 2ghf s ARG 113 Cb 0.12 -0.07 0.71 0.00 -1.03 0.00 0.00 34.95 34.68 2ghf s ARG 113 CO 0.44 -0.01 1.62 2.48 -1.13 0.00 0.00 175.30 178.71 2ghf n TYR 114 N 1.23 0.53 0.11 5.89 4.11 -1.26 -3.48 117.16 124.29 2ghf n TYR 114 Ca -0.21 0.15 -0.03 0.00 -0.00 0.00 0.00 57.90 57.81 2ghf n TYR 114 Cb 0.56 -0.69 0.17 0.00 -0.00 0.00 0.00 39.34 39.38 2ghf n TYR 114 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.86 177.24 2ghf h ASP 115 N 0.00 0.16 -0.26 9.48 3.04 -1.98 -2.97 116.42 123.89 2ghf h ASP 115 Ca 0.00 -0.09 0.08 0.00 -3.24 0.00 0.00 57.03 53.78 2ghf h ASP 115 Cb 0.67 -0.05 -0.01 0.00 -1.04 0.00 0.00 39.33 38.90 2ghf h ASP 115 CO 0.00 0.69 0.25 0.00 -2.04 0.00 0.00 179.24 178.14 2ghf h ALA 116 N 1.32 1.97 0.00 4.15 0.00 -1.98 0.21 119.26 124.93 2ghf h ALA 116 Ca -0.00 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 2ghf h ALA 116 Cb 1.02 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 2ghf h ALA 116 CO 0.08 -0.39 -1.13 -0.07 0.00 0.00 0.00 179.25 177.74 2ghf h LEU 117 N 0.00 0.00 -0.01 0.00 -0.00 -1.74 -2.24 115.31 111.32 2ghf h LEU 117 Ca 0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.99 2ghf h LEU 117 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.29 2ghf h LEU 117 CO -0.00 0.91 -0.06 -1.28 -0.00 0.00 0.00 178.44 178.01 2ghf h SER 118 N 0.00 0.06 0.82 -0.43 0.87 -0.69 -3.10 113.55 111.08 2ghf h SER 118 Ca -0.08 -0.72 -0.00 0.00 -1.23 0.00 0.00 61.79 59.75 2ghf h SER 118 Cb 1.77 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 63.71 2ghf h SER 118 CO 0.10 0.78 -0.00 -0.33 -0.53 0.00 0.00 176.83 176.85 2ghf h GLU 119 N -0.65 0.00 -0.37 2.24 5.08 -1.09 -3.25 114.58 116.55 2ghf h GLU 119 Ca -0.01 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.43 2ghf h GLU 119 Cb 0.78 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.95 2ghf h GLU 119 CO 0.01 0.00 -0.32 1.25 -1.00 0.00 0.00 179.01 178.95 2ghf h HIS 120 N 0.00 -0.90 0.00 4.33 2.76 -1.32 0.23 115.15 120.25 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 0.41 0.45 0.00 0.00 1.55 0.00 0.00 27.41 29.82 2ghf h HIS 120 CO 0.00 -0.38 0.00 -2.95 -1.30 0.00 0.00 177.93 173.30 2ghf h ASN 121 N -0.27 0.00 0.01 3.26 7.08 -1.71 0.75 115.58 124.71 2ghf h ASN 121 Ca 0.16 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 53.38 2ghf h ASN 121 Cb 0.54 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.78 2ghf h ASN 121 CO -0.52 0.00 -0.01 0.25 -2.08 0.00 0.00 177.43 175.08 2ghf h LEU 122 N 0.00 -0.01 0.00 6.14 5.85 -0.97 -2.81 115.31 123.50 2ghf h LEU 122 Ca 0.00 -0.80 -0.27 0.00 0.84 0.00 0.00 57.88 57.66 2ghf h LEU 122 Cb 0.35 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 2ghf h LEU 122 CO 0.00 0.83 -2.00 2.29 -0.34 0.00 0.00 178.44 179.22 2ghf n LYS 123 N -4.69 0.43 -0.09 1.25 2.85 0.53 -4.43 118.16 114.01 2ghf n LYS 123 Ca -0.09 0.11 -0.16 0.00 -1.05 0.00 0.00 58.31 57.12 2ghf n LYS 123 Cb 0.39 -1.32 -0.10 0.00 -0.65 0.00 0.00 35.03 33.35 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 -0.09 0.00 -2.26 5.58 -1.99 -0.06 -3.40 116.97 114.75 2ghf h TYR 124 Ca -0.40 0.00 -0.62 0.00 2.00 0.00 0.00 58.73 59.71 2ghf h TYR 124 Cb 1.58 0.00 -0.41 0.00 2.00 0.00 0.00 36.73 39.90 2ghf h TYR 124 CO 0.01 1.06 -0.46 0.72 -0.00 0.00 0.00 178.16 179.49 2ghf n HIS 125 N -4.54 3.57 -2.52 4.88 8.25 0.21 -4.95 115.22 120.12 2ghf n HIS 125 Ca -0.20 -3.99 -0.35 0.00 -0.26 0.00 0.00 57.72 52.92 2ghf n HIS 125 Cb 0.52 -0.62 -0.03 0.00 1.12 0.00 0.00 29.99 30.98 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 -2.63 3.92 0.00 -0.41 0.04 -1.06 -4.24 135.00 130.62 2ghf s PRO 126 Ca 0.40 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.89 2ghf s PRO 126 Cb 0.15 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 32.42 2ghf s PRO 126 CO -0.01 -0.34 0.00 0.41 0.04 0.00 0.00 177.00 177.09 2ghf n GLY 127 N 0.01 2.66 3.74 0.56 0.00 -1.25 -5.02 105.19 105.89 2ghf n GLY 127 Ca 0.08 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 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 1.98 -0.42 1.61 4.04 -1.26 -5.12 118.70 119.52 2ghf s GLU 128 Ca 0.00 -1.34 0.02 0.00 0.04 0.00 0.00 54.97 53.69 2ghf s GLU 128 Cb 0.00 0.57 0.13 0.00 0.02 0.00 0.00 34.13 34.85 2ghf s GLU 128 CO 0.00 -0.89 0.21 -2.00 -1.84 0.00 0.00 175.26 170.74 2ghf s GLU 129 N -3.08 1.25 -0.35 -4.83 2.12 -1.26 -4.73 118.70 107.82 2ghf s GLU 129 Ca 0.17 -1.91 0.04 0.00 0.36 0.00 0.00 54.97 53.64 2ghf s GLU 129 Cb -0.04 -2.37 0.17 0.00 0.26 0.00 0.00 34.13 32.14 2ghf s GLU 129 CO 0.11 -1.13 0.46 -0.80 -0.54 0.00 0.00 175.26 173.37 2ghf s ASN 130 N 0.51 0.09 -0.01 -1.70 0.01 -1.26 -5.13 114.94 107.44 2ghf s ASN 130 Ca 0.16 -0.93 0.03 0.00 -0.71 0.00 0.00 52.86 51.41 2ghf s ASN 130 Cb -0.24 1.16 -0.03 0.00 0.41 0.00 0.00 41.25 42.55 2ghf s ASN 130 CO -0.03 -0.27 -0.07 -0.36 -1.51 0.00 0.00 177.10 174.87 2ghf s PHE 131 N 1.94 2.90 0.34 2.20 0.08 -1.26 -3.65 117.98 120.52 2ghf s PHE 131 Ca 0.14 -0.02 0.08 0.00 0.12 0.00 0.00 56.93 57.25 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 0.36 0.10 -1.59 -0.10 0.00 0.00 175.22 173.86 2ghf s LYS 132 N -1.27 2.28 -0.06 0.44 -2.85 0.22 -4.94 119.74 113.56 2ghf s LYS 132 Ca 0.16 -1.60 0.05 0.00 -1.00 0.00 0.00 55.97 53.58 2ghf s LYS 132 Cb -0.11 -2.10 -0.00 0.00 -2.06 0.00 0.00 37.83 33.55 2ghf s LYS 132 CO 0.06 0.13 -0.20 -0.48 0.10 0.00 0.00 175.35 174.96 2ghf s LEU 133 N -3.80 1.97 -0.13 2.77 2.34 -1.26 -1.38 118.68 119.19 2ghf s LEU 133 Ca 0.36 -0.43 -0.04 0.00 0.06 0.00 0.00 54.13 54.09 2ghf s LEU 133 Cb -0.02 -1.15 0.06 0.00 -0.56 0.00 0.00 46.19 44.53 2ghf s LEU 133 CO 0.22 0.17 0.20 0.28 -1.06 0.00 0.00 176.35 176.16 2ghf s THR 134 N 0.06 -0.31 -0.49 5.48 -1.32 0.99 -4.98 115.64 115.07 2ghf s THR 134 Ca -0.07 0.19 -0.17 0.00 -1.21 0.00 0.00 61.69 60.43 2ghf s THR 134 Cb -0.13 -0.45 0.07 0.00 -1.51 0.00 0.00 72.50 70.48 2ghf s THR 134 CO 0.04 0.02 0.50 -0.32 -2.21 0.00 0.00 174.62 172.65 2ghf s MET 135 N 2.33 3.04 -0.23 7.08 0.00 -1.26 0.26 119.30 130.52 2ghf s MET 135 Ca 0.04 -1.17 -0.03 0.00 0.00 0.00 0.00 55.69 54.53 2ghf s MET 135 Cb -0.13 -4.13 0.12 0.00 0.00 0.00 0.00 34.83 30.69 2ghf s MET 135 CO -0.08 -1.13 0.34 0.14 0.00 0.00 0.00 175.02 174.28 2ghf s VAL 136 N 2.08 -0.53 -0.10 10.11 -7.23 -1.21 -4.92 120.40 118.60 2ghf s VAL 136 Ca 0.09 -0.08 -0.02 0.00 -1.81 0.00 0.00 61.98 60.16 2ghf s VAL 136 Cb -0.22 -0.77 0.04 0.00 0.56 0.00 0.00 36.38 35.98 2ghf s VAL 136 CO 0.09 -0.14 0.04 -0.75 -0.31 0.00 0.00 175.10 174.02 2ghf s LYS 137 N 2.49 0.35 0.11 4.82 2.47 -1.26 -4.73 119.74 123.98 2ghf s LYS 137 Ca 0.11 0.06 0.09 0.00 -1.56 0.00 0.00 55.97 54.67 2ghf s LYS 137 Cb -0.15 -1.18 -0.04 0.00 -1.46 0.00 0.00 37.83 34.99 2ghf s LYS 137 CO -0.15 -0.43 -0.21 1.03 0.16 0.00 0.00 175.35 175.75 2ghf s ARG 138 N 2.03 1.71 0.00 4.03 3.00 -1.26 -4.24 118.95 124.22 2ghf s ARG 138 Ca 0.04 -1.20 0.00 0.00 0.00 0.00 0.00 55.73 54.57 2ghf s ARG 138 Cb -0.14 -2.05 0.00 0.00 0.00 0.00 0.00 34.95 32.76 2ghf s ARG 138 CO -0.06 0.48 0.00 0.09 0.00 0.00 0.00 175.30 175.81 2ghf n ASN 139 N 0.99 -4.09 0.00 0.23 4.13 -1.26 -4.85 115.26 110.42 2ghf n ASN 139 Ca -0.16 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.10 2ghf n ASN 139 Cb 0.53 -1.80 0.00 0.00 -1.54 0.00 0.00 39.78 36.97 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 -0.42 0.00 -4.98 6.41 3.02 -1.26 -4.80 115.26 113.23 2ghf n ASN 140 Ca 0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.34 2ghf n ASN 140 Cb 0.21 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.41 2ghf n ASN 140 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ghf s GLN 141 N 1.52 2.67 -0.43 3.52 0.00 -1.25 -5.00 119.66 120.68 2ghf s GLN 141 Ca 0.00 -0.83 -0.20 0.00 -0.00 0.00 0.00 55.36 54.33 2ghf s GLN 141 Cb 0.00 -2.55 0.02 0.00 0.00 0.00 0.00 33.01 30.48 2ghf s GLN 141 CO 0.00 -0.56 0.58 0.95 0.00 0.00 0.00 175.29 176.26 2ghf s THR 142 N -2.65 4.91 0.08 3.63 -4.23 -1.26 -4.44 115.64 111.68 2ghf s THR 142 Ca 0.55 -0.06 0.02 0.00 -1.18 0.00 0.00 61.69 61.03 2ghf s THR 142 Cb -0.10 -4.16 -0.04 0.00 1.34 0.00 0.00 72.50 69.55 2ghf s THR 142 CO 0.37 -0.55 -0.07 0.27 -0.54 0.00 0.00 174.62 174.10 2ghf s ILE 143 N 2.60 0.65 -0.15 2.99 -5.25 -1.26 -4.23 121.20 116.54 2ghf s ILE 143 Ca 0.19 -1.62 -0.22 0.00 -0.99 0.00 0.00 60.65 58.01 2ghf s ILE 143 Cb -0.15 -1.29 -0.03 0.00 2.95 0.00 0.00 42.46 43.94 2ghf s ILE 143 CO 0.17 -0.69 0.65 -0.36 -1.79 0.00 0.00 174.94 172.93 2ghf s PHE 144 N -2.78 3.45 -0.03 1.37 0.40 0.12 -3.33 117.98 117.18 2ghf s PHE 144 Ca 0.04 1.04 -0.11 0.00 -0.60 0.00 0.00 56.93 57.31 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 -0.07 0.31 -1.21 0.70 0.00 0.00 175.22 174.92 2ghf s GLU 145 N 1.49 3.71 -0.23 0.44 2.02 0.14 -0.86 118.70 125.40 2ghf s GLU 145 Ca 0.32 0.15 0.02 0.00 0.02 0.00 0.00 54.97 55.48 2ghf s GLU 145 Cb -0.16 -3.17 0.05 0.00 0.10 0.00 0.00 34.13 30.95 2ghf s GLU 145 CO 0.13 0.70 -0.14 -1.14 0.02 0.00 0.00 175.26 174.83 2ghf s GLN 146 N -1.25 2.47 0.26 1.61 0.74 0.18 -0.01 119.66 123.66 2ghf s GLN 146 Ca 0.23 -1.14 0.10 0.00 0.05 0.00 0.00 55.36 54.59 2ghf s GLN 146 Cb -0.14 -2.75 -0.04 0.00 1.10 0.00 0.00 33.01 31.17 2ghf s GLN 146 CO 0.11 -0.44 -0.03 0.99 -0.55 0.00 0.00 175.29 175.38 2ghf s THR 147 N 1.19 3.36 0.17 -0.34 2.01 -0.48 -2.41 115.64 119.14 2ghf s THR 147 Ca -0.04 -1.92 0.08 0.00 0.31 0.00 0.00 61.69 60.12 2ghf s THR 147 Cb -0.17 -2.78 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 2ghf s THR 147 CO -0.08 -0.35 -0.03 -0.63 -0.69 0.00 0.00 174.62 172.84 2ghf s ILE 148 N -2.28 3.59 -1.07 1.82 1.01 -1.26 0.70 121.20 123.70 2ghf s ILE 148 Ca 0.31 -1.48 0.18 0.00 0.00 0.00 0.00 60.65 59.66 2ghf s ILE 148 Cb -0.07 -2.80 0.74 0.00 0.01 0.00 0.00 42.46 40.35 2ghf s ILE 148 CO 0.19 -0.11 1.65 -0.46 0.00 0.00 0.00 174.94 176.21 2ghf n ASN 149 N -0.06 4.88 0.21 3.58 2.04 -1.24 -4.32 115.26 120.35 2ghf n ASN 149 Ca -0.10 -2.49 0.00 0.00 -0.44 0.00 0.00 54.58 51.55 2ghf n ASN 149 Cb 0.55 -0.60 0.00 0.00 -2.53 0.00 0.00 39.78 37.21 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 1.11 -3.37 -0.64 0.53 -0.08 -1.26 -4.90 116.55 107.94 2ghf n ASP 150 Ca 0.26 0.81 0.01 0.00 -1.51 0.00 0.00 54.79 54.36 2ghf n ASP 150 Cb 0.92 3.18 0.04 0.00 2.34 0.00 0.00 41.12 47.61 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 -3.43 1.47 -0.17 -2.67 4.77 -1.26 -4.27 117.00 111.44 2ghf n LEU 151 Ca 0.00 -0.74 0.27 0.00 -0.03 0.00 0.00 56.01 55.51 2ghf n LEU 151 Cb 0.00 -0.52 0.70 0.00 -2.33 0.00 0.00 43.42 41.27 2ghf n LEU 151 CO 0.00 0.29 1.25 0.74 -1.33 0.00 0.00 177.39 178.34 2ghf h THR 152 N 0.38 0.58 0.00 -5.08 2.02 -1.91 -3.47 112.91 105.43 2ghf h THR 152 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.17 2ghf h THR 152 Cb 0.65 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 2ghf h THR 152 CO 0.05 0.01 0.00 2.22 0.37 0.00 0.00 175.52 178.17