#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 1.44 -2.33 -5.12 0.00 -1.26 -4.99 120.51 108.26 2ghf n ALA -7 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 2ghf n ALA -7 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 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 -3.34 0.01 -2.25 0.00 -0.00 -1.26 -5.04 115.22 103.34 2ghf n HIS -6 Ca 0.00 -0.71 -0.43 0.00 -0.00 0.00 0.00 57.72 56.58 2ghf n HIS -6 Cb 0.00 -0.17 -0.02 0.00 -0.00 0.00 0.00 29.99 29.80 2ghf n HIS -6 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2ghf s HIS -5 N -0.66 2.29 -0.35 4.41 5.65 -1.26 -4.94 115.29 120.43 2ghf s HIS -5 Ca 0.35 0.68 -0.29 0.00 0.25 0.00 0.00 55.06 56.04 2ghf s HIS -5 Cb 0.39 -4.14 0.01 0.00 -1.18 0.00 0.00 32.58 27.66 2ghf s HIS -5 CO -0.15 -2.29 1.24 -1.01 -0.65 0.00 0.00 174.74 171.88 2ghf s HIS -4 N 5.45 2.76 -0.38 3.88 0.09 -1.26 -4.99 115.29 120.85 2ghf s HIS -4 Ca 0.66 0.88 -0.14 0.00 -0.00 0.00 0.00 55.06 56.46 2ghf s HIS -4 Cb -0.18 -4.01 0.01 0.00 -0.00 0.00 0.00 32.58 28.40 2ghf s HIS -4 CO 0.30 -1.48 0.26 -1.01 -0.00 0.00 0.00 174.74 172.81 2ghf s HIS -3 N 4.39 3.23 -0.68 1.40 0.09 -1.26 -5.02 115.29 117.44 2ghf s HIS -3 Ca 0.53 -0.52 -0.27 0.00 -0.00 0.00 0.00 55.06 54.80 2ghf s HIS -3 Cb -0.14 -2.53 0.03 0.00 -0.00 0.00 0.00 32.58 29.95 2ghf s HIS -3 CO 0.24 -0.52 1.22 -1.01 -0.00 0.00 0.00 174.74 174.67 2ghf s HIS -2 N 1.67 2.42 -0.45 1.40 4.02 -1.26 -4.94 115.29 118.15 2ghf s HIS -2 Ca 0.05 0.04 -0.27 0.00 1.02 0.00 0.00 55.06 55.89 2ghf s HIS -2 Cb -0.18 -4.55 -0.03 0.00 -1.02 0.00 0.00 32.58 26.80 2ghf s HIS -2 CO 0.10 -1.88 1.94 -1.01 1.02 0.00 0.00 174.74 174.91 2ghf s HIS -1 N 5.31 1.60 0.00 1.40 0.09 -1.26 -4.47 115.29 117.96 2ghf s HIS -1 Ca 0.36 0.83 0.00 0.00 -0.00 0.00 0.00 55.06 56.25 2ghf s HIS -1 Cb -0.09 -4.02 0.00 0.00 -0.00 0.00 0.00 32.58 28.48 2ghf s HIS -1 CO 0.18 -2.71 0.00 0.09 -0.00 0.00 0.00 174.74 172.29 2ghf n ASN 60 N 12.19 0.00 -3.88 1.40 4.13 -1.26 -4.76 115.26 123.08 2ghf n ASN 60 Ca 0.25 0.00 -0.30 0.00 1.68 0.00 0.00 54.58 56.21 2ghf n ASN 60 Cb 0.50 0.00 0.03 0.00 -1.54 0.00 0.00 39.78 38.77 2ghf n ASN 60 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 2ghf n GLN 61 N 0.00 -5.80 -4.05 3.52 0.00 -1.26 -4.93 117.38 104.86 2ghf n GLN 61 Ca 0.00 0.62 -0.30 0.00 -0.00 0.00 0.00 57.00 57.32 2ghf n GLN 61 Cb 0.00 -5.54 -0.06 0.00 0.00 0.00 0.00 30.24 24.64 2ghf n GLN 61 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 2ghf s GLN 62 N -6.60 2.91 0.00 3.69 2.00 -1.26 -4.89 119.66 115.51 2ghf s GLN 62 Ca 0.66 -0.69 0.00 0.00 -2.00 0.00 0.00 55.36 53.33 2ghf s GLN 62 Cb -0.33 -2.74 0.00 0.00 0.80 0.00 0.00 33.01 30.75 2ghf s GLN 62 CO 0.82 0.56 0.00 -1.71 -0.50 0.00 0.00 175.29 174.46 2ghf n ASN 63 N 0.40 0.00 -0.34 6.67 5.15 -1.26 -4.90 115.26 120.97 2ghf n ASN 63 Ca -0.08 0.00 0.13 0.00 -0.60 0.00 0.00 54.58 54.02 2ghf n ASN 63 Cb 0.52 0.00 0.29 0.00 -0.53 0.00 0.00 39.78 40.06 2ghf n ASN 63 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2ghf n LYS 64 N -0.03 1.04 -3.89 1.20 4.76 -1.26 -4.91 118.16 115.06 2ghf n LYS 64 Ca 0.00 -0.69 -0.10 0.00 -2.87 0.00 0.00 58.31 54.65 2ghf n LYS 64 Cb 0.00 -1.49 -0.09 0.00 -1.84 0.00 0.00 35.03 31.61 2ghf n LYS 64 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2ghf s LYS 65 N -2.44 0.60 0.27 1.97 2.36 -1.26 -5.14 119.74 116.10 2ghf s LYS 65 Ca 0.24 -0.66 -0.31 0.00 -2.55 0.00 0.00 55.97 52.70 2ghf s LYS 65 Cb 0.19 0.24 -0.12 0.00 -1.05 0.00 0.00 37.83 37.09 2ghf s LYS 65 CO 0.51 -0.16 1.56 1.55 1.55 0.00 0.00 175.35 180.36 2ghf n VAL 66 N 0.86 0.90 0.00 4.02 3.14 -1.26 -4.95 118.33 121.04 2ghf n VAL 66 Ca -0.20 -0.22 0.00 0.00 -2.96 0.00 0.00 64.34 60.96 2ghf n VAL 66 Cb 0.58 -1.83 0.00 0.00 -1.06 0.00 0.00 33.84 31.53 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 2.30 0.00 -0.32 1.45 1.02 -1.26 -4.97 120.64 118.86 2ghf n GLU 67 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 2ghf n GLU 67 Cb 0.35 -0.11 0.00 0.00 -0.02 0.00 0.00 31.44 31.66 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 2.57 -0.37 0.00 0.62 0.00 -1.26 -4.99 105.19 101.76 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 5.72 3.37 -0.02 0.00 -1.26 -4.62 105.19 108.38 2ghf n GLY 69 Ca 0.00 -1.51 -0.39 0.00 0.00 0.00 0.00 46.02 44.12 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 0.45 3.21 -0.19 1.61 2.02 0.91 -4.79 117.35 120.58 2ghf s TYR 70 Ca 0.00 -0.94 -0.21 0.00 -0.37 0.00 0.00 57.07 55.55 2ghf s TYR 70 Cb 0.00 -2.36 -0.02 0.00 -0.40 0.00 0.00 41.96 39.17 2ghf s TYR 70 CO 0.00 -0.60 0.65 -2.00 -1.57 0.00 0.00 175.55 172.02 2ghf s GLU 71 N 1.54 4.23 0.56 -0.62 2.12 -1.26 -1.71 118.70 123.55 2ghf s GLU 71 Ca 0.02 0.65 -0.20 0.00 0.36 0.00 0.00 54.97 55.80 2ghf s GLU 71 Cb -0.18 -3.57 -0.04 0.00 0.26 0.00 0.00 34.13 30.59 2ghf s GLU 71 CO 0.05 -0.23 1.27 0.00 -0.54 0.00 0.00 175.26 175.81 2ghf h LYS 73 N 1.22 0.00 -0.02 0.00 3.11 -0.89 -3.32 116.57 116.67 2ghf h LYS 73 Ca -0.51 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.33 2ghf h LYS 73 Cb 1.30 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.53 2ghf h LYS 73 CO 0.56 0.24 -0.23 0.66 -2.81 0.00 0.00 179.45 177.88 2ghf n TYR 74 N -3.21 0.00 -3.62 1.91 4.01 -1.26 -4.57 117.16 110.42 2ghf n TYR 74 Ca 0.02 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.66 2ghf n TYR 74 Cb 0.57 -0.01 -0.06 0.00 -0.31 0.00 0.00 39.34 39.53 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 1.70 4.27 -3.84 0.00 -1.04 -1.26 -3.61 114.28 110.50 2ghf n THR 76 Ca -0.12 -4.75 -0.12 0.00 -2.04 0.00 0.00 64.05 57.02 2ghf n THR 76 Cb 0.56 -2.47 -0.13 0.00 -1.82 0.00 0.00 70.33 66.48 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 1.44 -0.10 -0.03 -1.42 0.08 -1.26 -5.03 117.98 111.67 2ghf s PHE 77 Ca 0.42 0.23 0.04 0.00 0.12 0.00 0.00 56.93 57.75 2ghf s PHE 77 Cb -0.03 0.03 -0.01 0.00 -0.57 0.00 0.00 43.02 42.45 2ghf s PHE 77 CO -0.00 -0.05 -0.15 -1.14 -0.10 0.00 0.00 175.22 173.78 2ghf s GLN 78 N 0.01 1.39 -0.04 0.44 0.74 -1.26 -2.40 119.66 118.53 2ghf s GLN 78 Ca -0.00 -0.53 -0.01 0.00 0.05 0.00 0.00 55.36 54.87 2ghf s GLN 78 Cb -0.01 -1.28 0.03 0.00 1.10 0.00 0.00 33.01 32.85 2ghf s GLN 78 CO 0.00 0.26 0.03 -0.08 -0.55 0.00 0.00 175.29 174.95 2ghf s THR 79 N -0.12 0.10 -1.94 -0.34 -1.32 -0.70 -4.87 115.64 106.45 2ghf s THR 79 Ca 0.01 0.23 0.18 0.00 -1.21 0.00 0.00 61.69 60.90 2ghf s THR 79 Cb -0.08 -0.27 0.50 0.00 -1.51 0.00 0.00 72.50 71.13 2ghf s THR 79 CO 0.01 0.18 1.49 -0.81 -2.21 0.00 0.00 174.62 173.27 2ghf n PRO 80 N 4.80 0.54 -3.29 7.08 -0.04 -1.26 -0.06 135.00 142.76 2ghf n PRO 80 Ca -0.14 0.01 -0.40 0.00 -0.04 0.00 0.00 63.50 62.94 2ghf n PRO 80 Cb 0.50 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.38 2ghf n PRO 80 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2ghf s ASP 81 N -2.06 6.36 0.19 3.54 -1.08 -1.26 -4.80 116.67 117.57 2ghf s ASP 81 Ca 0.26 0.40 -0.10 0.00 -0.52 0.00 0.00 52.55 52.59 2ghf s ASP 81 Cb 0.12 -2.26 0.10 0.00 -1.46 0.00 0.00 42.92 39.43 2ghf s ASP 81 CO 0.22 -0.27 1.75 0.25 0.52 0.00 0.00 175.17 177.64 2ghf h LEU 82 N 8.74 0.92 -0.29 -1.34 7.12 -1.98 0.23 115.31 128.72 2ghf h LEU 82 Ca -0.30 -0.17 -0.00 0.00 0.13 0.00 0.00 57.88 57.54 2ghf h LEU 82 Cb 1.15 -0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 41.03 2ghf h LEU 82 CO 0.69 0.83 0.16 -1.13 -0.13 0.00 0.00 178.44 178.87 2ghf h ASN 83 N 0.94 0.35 -0.22 1.25 -1.24 -1.97 0.50 115.58 115.20 2ghf h ASN 83 Ca 0.22 -0.07 -0.12 0.00 0.71 0.00 0.00 56.30 57.04 2ghf h ASN 83 Cb 0.20 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.15 2ghf h ASN 83 CO -0.02 0.32 -0.29 0.24 -1.29 0.00 0.00 177.43 176.39 2ghf h MET 84 N 0.35 0.71 0.46 6.67 2.86 -1.92 0.20 114.93 124.26 2ghf h MET 84 Ca 0.10 -0.31 -0.02 0.00 -2.06 0.00 0.00 59.70 57.41 2ghf h MET 84 Cb 0.04 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.69 2ghf h MET 84 CO -0.02 0.92 -0.22 0.35 1.06 0.00 0.00 176.91 179.00 2ghf h PHE 85 N 0.61 -0.57 0.00 -0.22 3.57 0.30 0.17 116.94 120.80 2ghf h PHE 85 Ca 0.07 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 2ghf h PHE 85 Cb 0.80 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 2ghf h PHE 85 CO 0.04 -0.31 -0.30 0.00 -2.23 0.00 0.00 178.31 175.51 2ghf h THR 86 N -0.71 0.85 0.36 4.41 1.03 0.10 0.21 112.91 119.16 2ghf h THR 86 Ca -0.06 -1.20 -0.02 0.00 -0.01 0.00 0.00 66.41 65.12 2ghf h THR 86 Cb 0.52 1.73 0.00 0.00 -1.07 0.00 0.00 68.15 69.33 2ghf h THR 86 CO 0.10 0.29 -0.17 0.15 -0.01 0.00 0.00 175.52 175.88 2ghf h PHE 87 N 0.00 -0.45 -0.38 0.00 3.57 -0.44 0.34 116.94 119.57 2ghf h PHE 87 Ca -0.00 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.55 2ghf h PHE 87 Cb 0.70 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.57 2ghf h PHE 87 CO 0.00 -0.12 0.26 1.25 -2.23 0.00 0.00 178.31 177.47 2ghf h HIS 88 N -0.83 0.25 0.13 0.41 2.76 -0.16 0.27 115.15 117.98 2ghf h HIS 88 Ca -0.05 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.12 2ghf h HIS 88 Cb 0.53 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.41 2ghf h HIS 88 CO 0.02 0.13 -0.06 0.28 -1.30 0.00 0.00 177.93 177.00 2ghf h VAL 89 N 0.25 0.92 0.00 5.26 2.07 -0.48 0.63 116.25 124.89 2ghf h VAL 89 Ca 0.17 -1.21 -0.03 0.00 0.82 0.00 0.00 66.70 66.45 2ghf h VAL 89 Cb 0.37 1.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2ghf h VAL 89 CO -0.03 0.25 -0.14 -0.78 0.02 0.00 0.00 177.57 176.88 2ghf h ASP 90 N -0.85 0.00 0.00 0.57 3.58 0.41 0.55 116.42 120.67 2ghf h ASP 90 Ca -0.02 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.32 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 0.03 0.14 -0.64 -1.28 -2.88 0.00 0.00 179.24 174.61 2ghf h SER 91 N 0.00 0.00 0.00 2.28 0.87 -0.57 -3.37 113.55 112.77 2ghf h SER 91 Ca -0.00 -0.71 0.00 0.00 -1.23 0.00 0.00 61.79 59.85 2ghf h SER 91 Cb 0.49 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 2ghf h SER 91 CO 0.02 1.23 -1.60 -0.62 -0.53 0.00 0.00 176.83 175.33 2ghf n GLU 92 N -4.53 0.64 -2.88 2.24 -0.58 0.21 -4.58 120.64 111.16 2ghf n GLU 92 Ca -0.21 -0.13 -0.15 0.00 -0.42 0.00 0.00 57.16 56.25 2ghf n GLU 92 Cb 0.57 -1.35 -0.00 0.00 -0.57 0.00 0.00 31.44 30.08 2ghf n GLU 92 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2ghf n HIS 93 N -1.96 1.14 -0.03 -0.32 8.25 0.19 -4.97 115.22 117.52 2ghf n HIS 93 Ca -0.02 -3.32 -0.01 0.00 -0.26 0.00 0.00 57.72 54.11 2ghf n HIS 93 Cb 0.39 -0.38 0.28 0.00 1.12 0.00 0.00 29.99 31.39 2ghf n HIS 93 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2ghf h PRO 94 N 2.97 0.58 -3.58 -0.41 0.13 -1.58 -3.40 132.00 126.71 2ghf h PRO 94 Ca 0.03 -0.12 -0.48 0.00 -0.87 0.00 0.00 66.00 64.56 2ghf h PRO 94 Cb 1.03 -0.09 -0.39 0.00 0.13 0.00 0.00 31.00 31.68 2ghf h PRO 94 CO 0.55 0.59 -0.76 1.21 -0.23 0.00 0.00 178.00 179.36 2ghf s ASN 95 N -6.71 2.28 -0.15 1.44 3.84 -1.26 -4.96 114.94 109.42 2ghf s ASN 95 Ca -0.08 -0.48 0.01 0.00 0.21 0.00 0.00 52.86 52.52 2ghf s ASN 95 Cb 0.15 -0.50 0.02 0.00 -0.55 0.00 0.00 41.25 40.37 2ghf s ASN 95 CO 0.77 -0.26 -0.16 0.68 -2.79 0.00 0.00 177.10 175.34 2ghf s VAL 96 N 1.93 1.70 -0.51 -5.21 -7.23 -1.26 -5.04 120.40 104.77 2ghf s VAL 96 Ca 0.02 -0.72 0.03 0.00 -1.81 0.00 0.00 61.98 59.51 2ghf s VAL 96 Cb -0.15 -1.57 0.14 0.00 0.56 0.00 0.00 36.38 35.36 2ghf s VAL 96 CO -0.07 0.48 0.28 -0.69 -0.31 0.00 0.00 175.10 174.80 2ghf s VAL 97 N 1.39 2.05 0.00 1.32 1.01 -1.26 -1.91 120.40 122.99 2ghf s VAL 97 Ca 0.04 -3.11 0.00 0.00 0.00 0.00 0.00 61.98 58.91 2ghf s VAL 97 Cb -0.13 -2.42 0.00 0.00 0.00 0.00 0.00 36.38 33.83 2ghf s VAL 97 CO -0.10 -0.88 0.00 0.18 0.00 0.00 0.00 175.10 174.29 2ghf n LEU 98 N 3.13 0.00 0.00 3.92 7.99 -1.26 -4.94 117.00 125.84 2ghf n LEU 98 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.09 2ghf n LEU 98 Cb 0.34 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.65 2ghf n LEU 98 CO 0.28 0.00 0.00 0.59 -1.51 0.00 0.00 177.39 176.75 2ghf n ASN 99 N -0.57 -0.50 -4.82 -1.43 4.13 -1.26 -4.80 115.26 106.01 2ghf n ASN 99 Ca 0.00 -0.30 -0.38 0.00 1.68 0.00 0.00 54.58 55.58 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 -0.94 0.28 0.00 0.00 177.26 176.60 2ghf s SER 100 N -1.46 6.94 0.34 6.41 1.04 -1.26 -4.88 113.70 120.83 2ghf s SER 100 Ca 0.00 1.12 -0.16 0.00 0.48 0.00 0.00 55.95 57.39 2ghf s SER 100 Cb 0.00 -2.31 0.04 0.00 0.10 0.00 0.00 66.02 63.85 2ghf s SER 100 CO 0.00 0.28 0.72 -0.44 0.98 0.00 0.00 173.24 174.78 2ghf s SER 101 N -1.14 -0.01 0.09 7.02 0.01 -1.26 -5.01 113.70 113.39 2ghf s SER 101 Ca 0.27 -0.99 0.08 0.00 1.31 0.00 0.00 55.95 56.63 2ghf s SER 101 Cb -0.18 0.78 -0.04 0.00 0.21 0.00 0.00 66.02 66.79 2ghf s SER 101 CO 0.17 -1.51 -0.19 -0.31 0.41 0.00 0.00 173.24 171.81 2ghf s TYR 102 N -3.01 2.53 -0.02 2.43 1.51 -1.24 -0.84 117.35 118.71 2ghf s TYR 102 Ca 0.16 -0.27 0.04 0.00 -1.01 0.00 0.00 57.07 55.99 2ghf s TYR 102 Cb -0.05 -1.38 -0.01 0.00 -0.11 0.00 0.00 41.96 40.42 2ghf s TYR 102 CO 0.11 0.34 -0.13 0.54 -1.11 0.00 0.00 175.55 175.29 2ghf s VAL 103 N -1.06 1.05 -0.65 0.71 0.11 0.39 -2.07 120.40 118.88 2ghf s VAL 103 Ca 0.17 -0.55 -0.28 0.00 -2.93 0.00 0.00 61.98 58.39 2ghf s VAL 103 Cb -0.10 -0.89 0.03 0.00 -1.53 0.00 0.00 36.38 33.89 2ghf s VAL 103 CO 0.08 0.30 1.23 0.00 -3.33 0.00 0.00 175.10 173.38 2ghf h VAL 105 N 6.10 0.48 -0.29 0.00 2.07 -1.78 1.03 116.25 123.86 2ghf h VAL 105 Ca -0.26 -0.26 -0.17 0.00 0.82 0.00 0.00 66.70 66.83 2ghf h VAL 105 Cb 1.05 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2ghf h VAL 105 CO 1.22 0.05 -0.49 -0.33 0.02 0.00 0.00 177.57 178.05 2ghf h GLU 106 N 0.00 0.79 0.00 1.57 3.07 -1.85 -3.22 114.58 114.94 2ghf h GLU 106 Ca -0.00 -0.47 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 2ghf h GLU 106 Cb 0.17 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.12 2ghf h GLU 106 CO 0.01 1.10 -0.96 0.00 -1.40 0.00 0.00 179.01 177.75 2ghf n ASN 108 N -1.52 -1.76 -4.05 0.00 5.03 0.35 -5.00 115.26 108.31 2ghf n ASN 108 Ca 0.02 -0.72 -0.30 0.00 0.87 0.00 0.00 54.58 54.46 2ghf n ASN 108 Cb 0.30 -4.62 -0.17 0.00 -1.02 0.00 0.00 39.78 34.27 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 -3.51 2.12 -0.13 3.10 -0.12 -1.00 -4.94 117.98 113.51 2ghf s PHE 109 Ca 0.02 -1.09 -0.14 0.00 -0.05 0.00 0.00 56.93 55.66 2ghf s PHE 109 Cb -0.00 -1.53 -0.05 0.00 -0.63 0.00 0.00 43.02 40.81 2ghf s PHE 109 CO 0.77 -0.57 0.32 -0.51 -0.05 0.00 0.00 175.22 175.18 2ghf s LEU 110 N 1.18 4.28 0.15 -1.99 1.43 -1.26 -1.34 118.68 121.14 2ghf s LEU 110 Ca -0.02 0.60 0.09 0.00 -1.03 0.00 0.00 54.13 53.77 2ghf s LEU 110 Cb -0.14 -2.43 -0.04 0.00 0.03 0.00 0.00 46.19 43.61 2ghf s LEU 110 CO -0.05 0.13 -0.20 0.28 0.23 0.00 0.00 176.35 176.74 2ghf s THR 111 N 0.22 1.83 -0.39 5.49 -1.32 -0.88 -0.24 115.64 120.36 2ghf s THR 111 Ca 0.19 -1.82 0.07 0.00 -1.21 0.00 0.00 61.69 58.92 2ghf s THR 111 Cb -0.14 -1.79 0.56 0.00 -1.51 0.00 0.00 72.50 69.62 2ghf s THR 111 CO 0.06 -0.22 1.55 2.29 -2.21 0.00 0.00 174.62 176.09 2ghf n LYS 112 N 0.52 2.96 -3.98 7.08 2.85 -1.26 -3.60 118.16 122.73 2ghf n LYS 112 Ca -0.15 -2.29 -0.08 0.00 -1.05 0.00 0.00 58.31 54.74 2ghf n LYS 112 Cb 0.56 -1.98 -0.09 0.00 -0.65 0.00 0.00 35.03 32.87 2ghf n LYS 112 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 177.40 176.37 2ghf s ARG 113 N -2.38 0.80 0.09 -1.58 1.70 -1.26 -5.04 118.95 111.29 2ghf s ARG 113 Ca 0.41 -1.13 0.15 0.00 -0.47 0.00 0.00 55.73 54.70 2ghf s ARG 113 Cb 0.33 0.29 -0.11 0.00 -0.57 0.00 0.00 34.95 34.88 2ghf s ARG 113 CO 0.10 -0.22 0.95 0.10 -1.08 0.00 0.00 175.30 175.15 2ghf h TYR 114 N 2.89 0.00 -0.38 5.89 -0.00 -1.96 -3.38 116.97 120.03 2ghf h TYR 114 Ca -0.34 0.00 0.03 0.00 -0.00 0.00 0.00 58.73 58.43 2ghf h TYR 114 Cb 1.18 0.00 -0.04 0.00 -0.00 0.00 0.00 36.73 37.87 2ghf h TYR 114 CO 0.46 0.64 0.17 -0.44 -0.00 0.00 0.00 178.16 178.99 2ghf h ASP 115 N 0.00 0.23 -0.06 0.10 5.19 -1.99 -2.73 116.42 117.16 2ghf h ASP 115 Ca -0.14 0.03 0.02 0.00 -0.62 0.00 0.00 57.03 56.32 2ghf h ASP 115 Cb 1.61 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 41.10 2ghf h ASP 115 CO 0.06 0.17 0.08 0.00 -3.12 0.00 0.00 179.24 176.43 2ghf h ALA 116 N 1.22 1.59 0.14 3.45 0.00 -1.98 0.23 119.26 123.91 2ghf h ALA 116 Ca 0.17 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.76 2ghf h ALA 116 Cb 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2ghf h ALA 116 CO -0.14 -0.11 -1.55 -0.07 0.00 0.00 0.00 179.25 177.39 2ghf h LEU 117 N 0.00 0.47 -0.09 0.00 -0.00 -1.75 -2.38 115.31 111.55 2ghf h LEU 117 Ca 0.03 -0.63 -0.11 0.00 -0.00 0.00 0.00 57.88 57.17 2ghf h LEU 117 Cb 0.18 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 40.69 2ghf h LEU 117 CO -0.00 1.52 -0.38 0.28 -0.00 0.00 0.00 178.44 179.86 2ghf h SER 118 N 0.08 0.49 1.83 -0.43 0.02 -0.57 -2.98 113.55 112.00 2ghf h SER 118 Ca -0.26 -0.63 0.00 0.00 -0.84 0.00 0.00 61.79 60.06 2ghf h SER 118 Cb 2.04 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 64.43 2ghf h SER 118 CO 0.18 1.04 0.00 -0.33 -1.14 0.00 0.00 176.83 176.58 2ghf h GLU 119 N -0.02 0.00 -0.36 3.45 5.08 -0.96 -3.37 114.58 118.39 2ghf h GLU 119 Ca -0.02 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 2ghf h GLU 119 Cb 1.02 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.19 2ghf h GLU 119 CO 0.08 0.00 -0.50 1.25 -1.00 0.00 0.00 179.01 178.84 2ghf h HIS 120 N 0.00 -1.52 0.00 4.33 2.76 -1.26 0.30 115.15 119.76 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 0.91 0.71 0.00 0.00 1.55 0.00 0.00 27.41 30.58 2ghf h HIS 120 CO 0.00 -0.43 0.00 -2.95 -1.30 0.00 0.00 177.93 173.25 2ghf h ASN 121 N -0.35 0.00 0.04 3.26 -1.07 -1.72 0.88 115.58 116.61 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 0.53 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.78 2ghf h ASN 121 CO -0.53 0.00 -0.02 0.25 0.07 0.00 0.00 177.43 177.20 2ghf h LEU 122 N 0.00 -0.05 0.00 6.14 5.85 -1.04 -2.98 115.31 123.23 2ghf h LEU 122 Ca 0.00 -0.63 -0.25 0.00 0.84 0.00 0.00 57.88 57.84 2ghf h LEU 122 Cb 0.31 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 2ghf h LEU 122 CO 0.00 0.70 -1.93 2.29 -0.34 0.00 0.00 178.44 179.16 2ghf n LYS 123 N -4.75 0.55 -0.07 1.25 2.85 0.79 -4.42 118.16 114.36 2ghf n LYS 123 Ca -0.08 0.09 -0.11 0.00 -1.05 0.00 0.00 58.31 57.16 2ghf n LYS 123 Cb 0.33 -1.33 -0.08 0.00 -0.65 0.00 0.00 35.03 33.30 2ghf n LYS 123 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 177.40 179.23 2ghf h TYR 124 N 0.00 0.00 -2.47 5.58 -1.99 0.33 -3.40 116.97 115.02 2ghf h TYR 124 Ca -0.36 0.00 -0.65 0.00 2.00 0.00 0.00 58.73 59.71 2ghf h TYR 124 Cb 1.59 0.00 -0.38 0.00 2.00 0.00 0.00 36.73 39.93 2ghf h TYR 124 CO 0.02 0.72 -0.25 0.72 -0.00 0.00 0.00 178.16 179.36 2ghf n HIS 125 N -4.61 3.36 -2.39 4.88 8.25 0.19 -4.93 115.22 119.96 2ghf n HIS 125 Ca -0.12 -3.81 -0.37 0.00 -0.26 0.00 0.00 57.72 53.16 2ghf n HIS 125 Cb 0.38 -0.75 -0.03 0.00 1.12 0.00 0.00 29.99 30.71 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 -2.44 4.02 0.00 -0.41 0.04 -1.13 -4.34 135.00 130.74 2ghf s PRO 126 Ca 0.36 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.08 2ghf s PRO 126 Cb 0.10 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 32.09 2ghf s PRO 126 CO 0.00 -0.30 0.00 0.41 0.04 0.00 0.00 177.00 177.15 2ghf n GLY 127 N 0.47 2.44 3.82 0.56 0.00 -1.26 -5.05 105.19 106.16 2ghf n GLY 127 Ca 0.05 -0.25 -0.04 0.00 0.00 0.00 0.00 46.02 45.79 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 1.34 -0.42 1.61 -1.05 -1.26 -5.12 118.70 113.80 2ghf s GLU 128 Ca 0.00 -0.82 0.02 0.00 -0.15 0.00 0.00 54.97 54.02 2ghf s GLU 128 Cb 0.00 0.41 0.13 0.00 -0.44 0.00 0.00 34.13 34.22 2ghf s GLU 128 CO 0.00 -0.62 0.20 -2.00 0.95 0.00 0.00 175.26 173.79 2ghf s GLU 129 N -2.65 1.31 -0.35 -4.83 2.12 -1.26 -4.66 118.70 108.38 2ghf s GLU 129 Ca 0.17 -1.93 0.04 0.00 0.36 0.00 0.00 54.97 53.61 2ghf s GLU 129 Cb -0.02 -2.50 0.17 0.00 0.26 0.00 0.00 34.13 32.04 2ghf s GLU 129 CO 0.05 -1.11 0.46 -0.80 -0.54 0.00 0.00 175.26 173.32 2ghf s ASN 130 N 0.52 0.06 0.13 -1.70 0.01 -1.26 -5.14 114.94 107.55 2ghf s ASN 130 Ca 0.16 -0.89 0.07 0.00 -0.71 0.00 0.00 52.86 51.48 2ghf s ASN 130 Cb -0.23 1.18 -0.04 0.00 0.41 0.00 0.00 41.25 42.57 2ghf s ASN 130 CO -0.04 -0.27 -0.03 -0.36 -1.51 0.00 0.00 177.10 174.89 2ghf s PHE 131 N 1.98 2.85 0.34 2.20 0.08 -1.26 -3.78 117.98 120.39 2ghf s PHE 131 Ca 0.14 -0.11 0.09 0.00 0.12 0.00 0.00 56.93 57.17 2ghf s PHE 131 Cb -0.11 -1.43 -0.06 0.00 -0.57 0.00 0.00 43.02 40.84 2ghf s PHE 131 CO -0.14 0.48 -0.08 -1.59 -0.10 0.00 0.00 175.22 173.80 2ghf s LYS 132 N -2.58 1.87 -0.04 0.44 -2.85 0.24 -4.95 119.74 111.87 2ghf s LYS 132 Ca 0.25 -1.90 0.05 0.00 -1.00 0.00 0.00 55.97 53.37 2ghf s LYS 132 Cb -0.10 -1.75 -0.00 0.00 -2.06 0.00 0.00 37.83 33.91 2ghf s LYS 132 CO 0.17 0.14 -0.18 -0.48 0.10 0.00 0.00 175.35 175.11 2ghf s LEU 133 N -3.63 1.94 -0.11 2.77 2.34 -1.26 -1.23 118.68 119.50 2ghf s LEU 133 Ca 0.33 -0.37 -0.04 0.00 0.06 0.00 0.00 54.13 54.11 2ghf s LEU 133 Cb 0.02 -1.01 0.06 0.00 -0.56 0.00 0.00 46.19 44.69 2ghf s LEU 133 CO 0.17 0.16 0.19 0.28 -1.06 0.00 0.00 176.35 176.10 2ghf s THR 134 N 0.00 -0.31 -0.50 5.48 -1.32 0.15 -4.97 115.64 114.17 2ghf s THR 134 Ca -0.03 0.28 -0.18 0.00 -1.21 0.00 0.00 61.69 60.55 2ghf s THR 134 Cb -0.12 -0.38 0.07 0.00 -1.51 0.00 0.00 72.50 70.56 2ghf s THR 134 CO 0.02 0.10 0.55 -0.32 -2.21 0.00 0.00 174.62 172.76 2ghf s MET 135 N 2.33 3.07 -0.24 7.08 1.75 -1.26 0.27 119.30 132.30 2ghf s MET 135 Ca 0.03 -1.08 -0.03 0.00 -1.25 0.00 0.00 55.69 53.36 2ghf s MET 135 Cb -0.12 -4.12 0.13 0.00 2.84 0.00 0.00 34.83 33.55 2ghf s MET 135 CO -0.07 -1.17 0.36 0.14 -0.65 0.00 0.00 175.02 173.62 2ghf s VAL 136 N 2.28 -0.56 -0.12 10.11 -7.23 -1.20 -4.93 120.40 118.75 2ghf s VAL 136 Ca 0.11 -0.07 -0.03 0.00 -1.81 0.00 0.00 61.98 60.18 2ghf s VAL 136 Cb -0.21 -0.79 0.04 0.00 0.56 0.00 0.00 36.38 35.98 2ghf s VAL 136 CO 0.10 -0.13 0.05 -0.75 -0.31 0.00 0.00 175.10 174.05 2ghf s LYS 137 N 2.51 0.33 -0.11 4.82 2.47 -1.26 -4.76 119.74 123.74 2ghf s LYS 137 Ca 0.12 -0.01 -0.04 0.00 -1.56 0.00 0.00 55.97 54.48 2ghf s LYS 137 Cb -0.15 -1.36 -0.04 0.00 -1.46 0.00 0.00 37.83 34.82 2ghf s LYS 137 CO -0.15 -0.48 0.04 1.03 0.16 0.00 0.00 175.35 175.95 2ghf s ARG 138 N 2.03 3.28 -1.08 4.03 3.00 -1.26 -4.17 118.95 124.79 2ghf s ARG 138 Ca 0.03 -0.33 0.00 0.00 0.00 0.00 0.00 55.73 55.42 2ghf s ARG 138 Cb -0.14 -2.96 0.00 0.00 0.00 0.00 0.00 34.95 31.85 2ghf s ARG 138 CO -0.06 0.64 0.00 0.09 0.00 0.00 0.00 175.30 175.96 2ghf n ASN 139 N 2.38 -4.38 0.00 0.23 4.13 -1.26 -4.90 115.26 111.45 2ghf n ASN 139 Ca -0.19 0.25 0.00 0.00 1.68 0.00 0.00 54.58 56.33 2ghf n ASN 139 Cb 0.54 -2.77 0.00 0.00 -1.54 0.00 0.00 39.78 36.00 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 0.11 0.13 -4.95 6.41 3.02 -1.26 -4.66 115.26 114.06 2ghf n ASN 140 Ca -0.10 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.22 2ghf n ASN 140 Cb 0.36 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.53 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 2.38 3.22 -0.43 3.52 0.00 -0.81 -4.84 119.66 122.70 2ghf s GLN 141 Ca 0.00 -0.45 -0.20 0.00 -0.00 0.00 0.00 55.36 54.71 2ghf s GLN 141 Cb 0.00 -2.61 0.02 0.00 0.00 0.00 0.00 33.01 30.43 2ghf s GLN 141 CO 0.00 -0.10 0.58 0.95 0.00 0.00 0.00 175.29 176.72 2ghf s THR 142 N -2.45 4.90 0.17 3.63 -4.23 -1.26 -4.36 115.64 112.04 2ghf s THR 142 Ca 0.45 -0.01 0.09 0.00 -1.18 0.00 0.00 61.69 61.04 2ghf s THR 142 Cb -0.10 -4.16 -0.04 0.00 1.34 0.00 0.00 72.50 69.54 2ghf s THR 142 CO 0.37 -0.54 -0.18 0.27 -0.54 0.00 0.00 174.62 174.00 2ghf s ILE 143 N 2.63 1.84 -0.21 2.99 -5.25 -1.26 -4.77 121.20 117.16 2ghf s ILE 143 Ca 0.20 -1.96 -0.22 0.00 -0.99 0.00 0.00 60.65 57.68 2ghf s ILE 143 Cb -0.15 -1.88 -0.02 0.00 2.95 0.00 0.00 42.46 43.36 2ghf s ILE 143 CO 0.17 -0.34 0.70 -0.36 -1.79 0.00 0.00 174.94 173.33 2ghf s PHE 144 N -2.13 3.36 -0.02 1.37 0.40 -0.02 -3.23 117.98 117.71 2ghf s PHE 144 Ca 0.17 1.00 -0.14 0.00 -0.60 0.00 0.00 56.93 57.36 2ghf s PHE 144 Cb -0.05 -2.89 -0.05 0.00 0.51 0.00 0.00 43.02 40.54 2ghf s PHE 144 CO 0.07 -0.25 0.38 -1.21 0.70 0.00 0.00 175.22 174.91 2ghf s GLU 145 N 2.21 3.92 -0.22 0.44 2.02 0.14 -0.46 118.70 126.74 2ghf s GLU 145 Ca 0.31 0.35 0.02 0.00 0.02 0.00 0.00 54.97 55.67 2ghf s GLU 145 Cb -0.16 -3.24 0.04 0.00 0.10 0.00 0.00 34.13 30.88 2ghf s GLU 145 CO 0.10 0.65 -0.14 -1.14 0.02 0.00 0.00 175.26 174.75 2ghf s GLN 146 N -0.91 2.42 0.14 1.61 0.74 0.18 0.32 119.66 124.16 2ghf s GLN 146 Ca 0.23 -1.09 0.07 0.00 0.05 0.00 0.00 55.36 54.62 2ghf s GLN 146 Cb -0.16 -2.70 -0.04 0.00 1.10 0.00 0.00 33.01 31.21 2ghf s GLN 146 CO 0.12 -0.43 -0.06 0.99 -0.55 0.00 0.00 175.29 175.36 2ghf s THR 147 N 1.22 3.49 0.15 -0.34 2.01 -0.36 -2.30 115.64 119.51 2ghf s THR 147 Ca -0.03 -1.38 0.03 0.00 0.31 0.00 0.00 61.69 60.61 2ghf s THR 147 Cb -0.17 -2.70 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 2ghf s THR 147 CO -0.08 -0.01 0.27 -0.63 -0.69 0.00 0.00 174.62 173.48 2ghf s ILE 148 N -1.50 5.27 -0.81 1.82 1.01 -1.26 0.79 121.20 126.53 2ghf s ILE 148 Ca 0.24 -0.71 0.17 0.00 0.00 0.00 0.00 60.65 60.35 2ghf s ILE 148 Cb -0.10 -3.71 0.74 0.00 0.01 0.00 0.00 42.46 39.39 2ghf s ILE 148 CO 0.16 -0.09 1.65 -0.46 0.00 0.00 0.00 174.94 176.20 2ghf n ASN 149 N -0.53 4.99 0.12 3.58 2.04 -1.25 -4.52 115.26 119.70 2ghf n ASN 149 Ca -0.07 -2.62 0.00 0.00 -0.44 0.00 0.00 54.58 51.45 2ghf n ASN 149 Cb 0.54 -0.60 0.00 0.00 -2.53 0.00 0.00 39.78 37.19 2ghf n ASN 149 CO 0.00 0.00 0.00 -0.67 -0.44 0.00 0.00 177.26 176.15 2ghf n ASP 150 N 0.87 -2.23 -0.57 0.53 -0.08 -1.26 -4.92 116.55 108.88 2ghf n ASP 150 Ca 0.26 0.49 0.00 0.00 -1.51 0.00 0.00 54.79 54.03 2ghf n ASP 150 Cb 0.98 2.30 0.00 0.00 2.34 0.00 0.00 41.12 46.73 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 -3.00 1.23 0.32 -2.67 4.77 -1.26 -4.37 117.00 112.01 2ghf n LEU 151 Ca 0.00 -0.61 0.16 0.00 -0.03 0.00 0.00 56.01 55.53 2ghf n LEU 151 Cb 0.00 -0.48 0.85 0.00 -2.33 0.00 0.00 43.42 41.47 2ghf n LEU 151 CO 0.00 0.27 1.11 0.74 -1.33 0.00 0.00 177.39 178.18 2ghf h THR 152 N 0.01 0.00 0.00 -5.08 2.02 -1.92 -3.48 112.91 104.46 2ghf h THR 152 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2ghf h THR 152 Cb 0.54 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 2ghf h THR 152 CO 0.00 0.00 0.00 2.22 0.37 0.00 0.00 175.52 178.11