#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 -2.73 0.06 3.04 0.00 -1.26 -4.93 120.51 114.69 2ghf n ALA -7 Ca 0.00 0.74 0.06 0.00 0.00 0.00 0.00 53.44 54.24 2ghf n ALA -7 Cb 0.00 -2.96 -0.05 0.00 0.00 0.00 0.00 19.45 16.44 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 -0.50 0.87 -4.29 0.00 8.25 -1.26 -4.70 115.22 113.59 2ghf n HIS -6 Ca 0.02 0.27 -0.34 0.00 -0.26 0.00 0.00 57.72 57.41 2ghf n HIS -6 Cb 0.55 -0.98 -0.14 0.00 1.12 0.00 0.00 29.99 30.54 2ghf n HIS -6 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2ghf s HIS -5 N -3.16 2.90 -0.33 4.41 4.02 -1.26 -4.98 115.29 116.89 2ghf s HIS -5 Ca -0.02 -0.82 0.22 0.00 1.02 0.00 0.00 55.06 55.46 2ghf s HIS -5 Cb 0.09 -1.98 0.17 0.00 -1.02 0.00 0.00 32.58 29.84 2ghf s HIS -5 CO 0.81 -0.39 1.34 1.25 1.02 0.00 0.00 174.74 178.77 2ghf h HIS -4 N 7.44 0.00 -1.10 1.40 -0.00 -2.00 -3.47 115.15 117.42 2ghf h HIS -4 Ca -0.35 0.00 -0.27 0.00 -0.00 0.00 0.00 60.37 59.75 2ghf h HIS -4 Cb 1.18 0.00 -0.07 0.00 -0.00 0.00 0.00 27.41 28.52 2ghf h HIS -4 CO 0.54 0.04 -0.28 0.72 -0.00 0.00 0.00 177.93 178.95 2ghf n HIS -3 N -2.93 -0.23 -2.91 5.26 -0.00 -1.26 -4.93 115.22 108.22 2ghf n HIS -3 Ca 0.02 0.00 -0.44 0.00 -0.00 0.00 0.00 57.72 57.30 2ghf n HIS -3 Cb 0.56 -2.58 -0.01 0.00 -0.00 0.00 0.00 29.99 27.95 2ghf n HIS -3 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2ghf s HIS -2 N -2.56 3.27 0.00 4.41 2.46 -1.26 -4.75 115.29 116.87 2ghf s HIS -2 Ca 0.00 -1.75 -0.20 0.00 0.47 0.00 0.00 55.06 53.58 2ghf s HIS -2 Cb 0.00 -4.33 -0.23 0.00 -0.13 0.00 0.00 32.58 27.89 2ghf s HIS -2 CO 0.00 -1.47 1.10 1.25 -2.47 0.00 0.00 174.74 173.15 2ghf h HIS -1 N 7.99 0.58 0.00 3.88 6.17 -2.04 -3.46 115.15 128.26 2ghf h HIS -1 Ca 0.25 -0.31 0.00 0.00 0.71 0.00 0.00 60.37 61.02 2ghf h HIS -1 Cb 0.94 -0.07 0.00 0.00 2.52 0.00 0.00 27.41 30.80 2ghf h HIS -1 CO 1.15 1.12 0.00 0.27 0.71 0.00 0.00 177.93 181.18 2ghf n ASN 60 N -4.25 0.00 -1.24 3.26 6.94 -1.26 -5.11 115.26 113.61 2ghf n ASN 60 Ca -0.10 0.00 -0.00 0.00 -0.02 0.00 0.00 54.58 54.46 2ghf n ASN 60 Cb 0.65 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 38.07 2ghf n ASN 60 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2ghf n GLN 61 N 0.00 -0.46 -3.42 -3.83 1.13 -1.26 -5.02 117.38 104.51 2ghf n GLN 61 Ca 0.00 0.79 -0.37 0.00 -1.94 0.00 0.00 57.00 55.48 2ghf n GLN 61 Cb 0.00 -1.00 -0.07 0.00 0.11 0.00 0.00 30.24 29.28 2ghf n GLN 61 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2ghf s GLN 62 N -1.66 4.29 0.09 -1.09 -0.21 -1.26 -4.95 119.66 114.87 2ghf s GLN 62 Ca -0.01 0.27 0.12 0.00 0.02 0.00 0.00 55.36 55.76 2ghf s GLN 62 Cb 0.00 -3.44 0.54 0.00 1.00 0.00 0.00 33.01 31.11 2ghf s GLN 62 CO 0.02 0.18 1.37 0.09 -2.12 0.00 0.00 175.29 174.83 2ghf n ASN 63 N 3.68 0.19 0.10 5.90 4.13 -1.26 -0.55 115.26 127.45 2ghf n ASN 63 Ca -0.09 0.57 -0.03 0.00 1.68 0.00 0.00 54.58 56.70 2ghf n ASN 63 Cb 0.52 -0.60 0.03 0.00 -1.54 0.00 0.00 39.78 38.19 2ghf n ASN 63 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 2ghf h LYS 64 N 0.00 0.00 -3.45 3.52 3.64 -2.03 -3.40 116.57 114.86 2ghf h LYS 64 Ca 0.00 0.00 -0.79 0.00 -1.27 0.00 0.00 60.65 58.59 2ghf h LYS 64 Cb 0.14 0.00 -0.24 0.00 -0.41 0.00 0.00 32.23 31.72 2ghf h LYS 64 CO 0.00 0.77 1.02 0.36 -2.27 0.00 0.00 179.45 179.33 2ghf n LYS 65 N -3.51 3.92 -1.69 1.90 -0.00 0.29 -4.84 118.16 114.23 2ghf n LYS 65 Ca -0.00 -4.24 -0.00 0.00 -0.00 0.00 0.00 58.31 54.07 2ghf n LYS 65 Cb 0.78 -2.67 -0.00 0.00 -0.00 0.00 0.00 35.03 33.13 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 2.51 -7.76 0.00 0.58 3.14 -1.26 -4.83 118.33 110.70 2ghf n VAL 66 Ca 0.30 1.58 0.00 0.00 -2.96 0.00 0.00 64.34 63.26 2ghf n VAL 66 Cb 0.37 -4.59 0.00 0.00 -1.06 0.00 0.00 33.84 28.56 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 0.91 0.00 0.00 1.45 -0.58 -1.26 -4.97 120.64 116.19 2ghf n GLU 67 Ca -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 2ghf n GLU 67 Cb 0.02 -0.08 0.00 0.00 -0.57 0.00 0.00 31.44 30.81 2ghf n GLU 67 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ghf n GLY 68 N 2.50 0.98 0.00 0.62 0.00 -1.26 -5.00 105.19 103.02 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 0.04 3.49 3.41 -0.02 0.00 -1.26 -4.73 105.19 106.12 2ghf n GLY 69 Ca 0.00 -2.02 -0.40 0.00 0.00 0.00 0.00 46.02 43.60 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 1.84 3.22 -0.29 1.61 2.02 0.11 -4.77 117.35 121.09 2ghf s TYR 70 Ca 0.00 -0.77 -0.18 0.00 -0.37 0.00 0.00 57.07 55.75 2ghf s TYR 70 Cb 0.00 -2.43 -0.02 0.00 -0.40 0.00 0.00 41.96 39.11 2ghf s TYR 70 CO 0.00 -0.57 0.53 -2.00 -1.57 0.00 0.00 175.55 171.94 2ghf s GLU 71 N 1.59 3.94 0.62 -0.62 2.12 -1.26 -2.12 118.70 122.97 2ghf s GLU 71 Ca 0.03 0.20 -0.17 0.00 0.36 0.00 0.00 54.97 55.40 2ghf s GLU 71 Cb -0.18 -3.70 -0.02 0.00 0.26 0.00 0.00 34.13 30.49 2ghf s GLU 71 CO 0.07 -0.45 1.12 0.00 -0.54 0.00 0.00 175.26 175.46 2ghf h LYS 73 N 0.44 0.00 -0.24 0.00 3.11 -0.66 -3.32 116.57 115.90 2ghf h LYS 73 Ca -0.48 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.36 2ghf h LYS 73 Cb 1.25 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.48 2ghf h LYS 73 CO 0.55 0.70 0.00 2.48 -2.81 0.00 0.00 179.45 180.37 2ghf n TYR 74 N -3.59 0.29 -3.55 1.91 4.11 -1.26 -4.64 117.16 110.44 2ghf n TYR 74 Ca -0.00 -0.14 -0.13 0.00 -0.00 0.00 0.00 57.90 57.62 2ghf n TYR 74 Cb 0.71 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 40.01 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 0.23 0.29 -2.86 0.00 -1.04 -1.26 -3.94 114.28 105.70 2ghf n THR 76 Ca -0.18 -0.43 -0.42 0.00 -2.04 0.00 0.00 64.05 60.98 2ghf n THR 76 Cb 0.61 0.45 -0.04 0.00 -1.82 0.00 0.00 70.33 69.53 2ghf n THR 76 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 2ghf s PHE 77 N -1.71 3.10 -0.05 -1.42 2.19 -1.26 -4.95 117.98 113.88 2ghf s PHE 77 Ca 0.32 0.72 0.01 0.00 0.33 0.00 0.00 56.93 58.31 2ghf s PHE 77 Cb 0.18 -3.55 -0.03 0.00 -1.31 0.00 0.00 43.02 38.31 2ghf s PHE 77 CO 0.26 -0.78 -0.04 -1.14 1.83 0.00 0.00 175.22 175.35 2ghf s GLN 78 N 3.33 2.78 -0.09 10.12 0.74 -1.26 -3.94 119.66 131.33 2ghf s GLN 78 Ca 0.36 -0.55 -0.05 0.00 0.05 0.00 0.00 55.36 55.16 2ghf s GLN 78 Cb -0.12 -2.64 0.04 0.00 1.10 0.00 0.00 33.01 31.38 2ghf s GLN 78 CO 0.18 0.66 0.22 -0.08 -0.55 0.00 0.00 175.29 175.72 2ghf s THR 79 N -0.91 -0.03 -1.81 -0.34 -1.32 -0.90 -4.87 115.64 105.45 2ghf s THR 79 Ca 0.15 0.11 0.22 0.00 -1.21 0.00 0.00 61.69 60.96 2ghf s THR 79 Cb -0.11 -0.34 0.56 0.00 -1.51 0.00 0.00 72.50 71.09 2ghf s THR 79 CO 0.04 0.05 1.71 -0.81 -2.21 0.00 0.00 174.62 173.40 2ghf n PRO 80 N 3.90 0.58 -3.33 7.08 -0.04 -1.26 0.07 135.00 142.00 2ghf n PRO 80 Ca -0.22 0.03 -0.39 0.00 -0.04 0.00 0.00 63.50 62.87 2ghf n PRO 80 Cb 0.54 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.42 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 -2.19 6.36 0.20 3.54 -1.08 -1.26 -4.81 116.67 117.44 2ghf s ASP 81 Ca 0.29 0.43 -0.08 0.00 -0.52 0.00 0.00 52.55 52.67 2ghf s ASP 81 Cb 0.15 -2.24 0.13 0.00 -1.46 0.00 0.00 42.92 39.50 2ghf s ASP 81 CO 0.28 -0.20 1.73 0.25 0.52 0.00 0.00 175.17 177.75 2ghf h LEU 82 N 8.48 1.09 -0.21 -1.34 7.12 -1.98 0.25 115.31 128.71 2ghf h LEU 82 Ca -0.31 -0.22 -0.01 0.00 0.13 0.00 0.00 57.88 57.47 2ghf h LEU 82 Cb 1.15 -0.29 -0.01 0.00 -0.53 0.00 0.00 40.66 40.99 2ghf h LEU 82 CO 0.69 1.02 0.08 -1.13 -0.13 0.00 0.00 178.44 178.97 2ghf h ASN 83 N 1.10 0.29 -0.00 1.25 -1.24 -1.97 0.29 115.58 115.30 2ghf h ASN 83 Ca 0.24 -0.17 -0.10 0.00 0.71 0.00 0.00 56.30 56.98 2ghf h ASN 83 Cb 0.33 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.29 2ghf h ASN 83 CO -0.00 0.38 -0.31 0.24 -1.29 0.00 0.00 177.43 176.45 2ghf h MET 84 N 0.19 0.45 0.51 6.67 2.86 -1.92 0.35 114.93 124.04 2ghf h MET 84 Ca 0.07 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 2ghf h MET 84 Cb 0.18 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 31.83 2ghf h MET 84 CO -0.01 0.71 -0.25 0.35 1.06 0.00 0.00 176.91 178.78 2ghf h PHE 85 N 0.39 -0.64 0.00 -0.22 3.57 0.20 -0.01 116.94 120.23 2ghf h PHE 85 Ca 0.05 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.45 2ghf h PHE 85 Cb 0.74 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 2ghf h PHE 85 CO 0.02 -0.37 -0.42 0.00 -2.23 0.00 0.00 178.31 175.31 2ghf h THR 86 N -0.76 0.94 -0.01 4.41 1.03 -0.22 0.04 112.91 118.34 2ghf h THR 86 Ca -0.07 -1.70 -0.00 0.00 -0.01 0.00 0.00 66.41 64.63 2ghf h THR 86 Cb 0.56 2.03 -0.00 0.00 -1.07 0.00 0.00 68.15 69.67 2ghf h THR 86 CO 0.12 0.42 -0.00 0.15 -0.01 0.00 0.00 175.52 176.19 2ghf h PHE 87 N 0.00 0.02 0.00 0.00 3.57 -0.24 0.48 116.94 120.77 2ghf h PHE 87 Ca -0.00 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 2ghf h PHE 87 Cb 1.00 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 2ghf h PHE 87 CO 0.00 0.33 -0.33 1.12 -2.23 0.00 0.00 178.31 177.20 2ghf h HIS 88 N -0.30 0.00 0.89 0.41 2.07 -0.73 -0.46 115.15 117.02 2ghf h HIS 88 Ca 0.00 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.48 2ghf h HIS 88 Cb 0.32 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.31 2ghf h HIS 88 CO 0.04 0.33 -0.49 0.28 -3.07 0.00 0.00 177.93 175.02 2ghf h VAL 89 N 0.00 0.01 0.00 6.12 2.07 -0.71 0.41 116.25 124.16 2ghf h VAL 89 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2ghf h VAL 89 Cb 0.74 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2ghf h VAL 89 CO 0.04 0.00 -0.04 -0.78 0.02 0.00 0.00 177.57 176.81 2ghf h ASP 90 N -1.28 0.00 0.05 0.57 3.58 -0.51 0.21 116.42 119.03 2ghf h ASP 90 Ca -0.12 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.14 2ghf h ASP 90 Cb 1.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.04 2ghf h ASP 90 CO 0.16 0.04 -1.00 -1.28 -2.88 0.00 0.00 179.24 174.28 2ghf h SER 91 N 0.00 0.15 0.00 2.28 0.87 -0.97 -3.39 113.55 112.49 2ghf h SER 91 Ca -0.00 -0.77 -0.26 0.00 -1.23 0.00 0.00 61.79 59.54 2ghf h SER 91 Cb 0.14 -0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.00 2ghf h SER 91 CO 0.01 1.42 -1.97 -0.62 -0.53 0.00 0.00 176.83 175.14 2ghf n GLU 92 N -4.28 1.03 -3.18 2.24 -0.58 0.14 -4.75 120.64 111.27 2ghf n GLU 92 Ca -0.24 0.05 -0.20 0.00 -0.42 0.00 0.00 57.16 56.35 2ghf n GLU 92 Cb 0.72 -1.35 -0.04 0.00 -0.57 0.00 0.00 31.44 30.20 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 -2.78 0.26 0.02 -0.32 1.44 0.56 -4.95 115.22 109.44 2ghf n HIS 93 Ca -0.27 -3.76 -0.04 0.00 -2.01 0.00 0.00 57.72 51.64 2ghf n HIS 93 Cb 0.88 -0.41 0.19 0.00 0.12 0.00 0.00 29.99 30.78 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 3.31 0.48 -4.37 -1.40 0.13 -1.29 -3.42 132.00 125.44 2ghf h PRO 94 Ca 0.09 -0.19 -0.34 0.00 -0.87 0.00 0.00 66.00 64.70 2ghf h PRO 94 Cb 0.92 -0.02 -0.28 0.00 0.13 0.00 0.00 31.00 31.74 2ghf h PRO 94 CO 0.51 0.71 -0.76 0.54 -0.23 0.00 0.00 178.00 178.77 2ghf s ASN 95 N -6.82 0.69 -0.22 1.44 2.20 -1.26 -4.89 114.94 106.07 2ghf s ASN 95 Ca -0.07 -0.11 -0.26 0.00 -0.94 0.00 0.00 52.86 51.48 2ghf s ASN 95 Cb 0.14 -0.08 0.08 0.00 -2.00 0.00 0.00 41.25 39.38 2ghf s ASN 95 CO 0.79 0.07 0.75 0.54 -2.94 0.00 0.00 177.10 176.32 2ghf s VAL 96 N -0.13 0.00 -0.02 3.54 0.11 -1.26 -5.07 120.40 117.57 2ghf s VAL 96 Ca 0.02 0.00 0.25 0.00 -2.93 0.00 0.00 61.98 59.32 2ghf s VAL 96 Cb -0.02 -1.00 0.43 0.00 -1.53 0.00 0.00 36.38 34.26 2ghf s VAL 96 CO -0.00 0.00 1.17 0.55 -3.33 0.00 0.00 175.10 173.49 2ghf n VAL 97 N 2.21 0.15 -3.10 2.04 3.14 -1.26 -3.84 118.33 117.67 2ghf n VAL 97 Ca -0.15 -1.17 -0.44 0.00 -2.96 0.00 0.00 64.34 59.62 2ghf n VAL 97 Cb 0.56 0.94 -0.05 0.00 -1.06 0.00 0.00 33.84 34.23 2ghf n VAL 97 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2ghf s LEU 98 N -0.28 5.12 0.00 6.55 2.01 -1.26 -4.83 118.68 125.99 2ghf s LEU 98 Ca 0.34 -1.17 0.00 0.00 0.01 0.00 0.00 54.13 53.31 2ghf s LEU 98 Cb 0.39 -2.38 0.00 0.00 0.01 0.00 0.00 46.19 44.21 2ghf s LEU 98 CO -0.16 -1.06 0.00 -0.46 1.01 0.00 0.00 176.35 175.68 2ghf n ASN 99 N 6.40 -3.71 -4.87 2.29 6.94 -1.26 -4.83 115.26 116.22 2ghf n ASN 99 Ca -0.08 0.25 -0.35 0.00 -0.02 0.00 0.00 54.58 54.39 2ghf n ASN 99 Cb 0.44 -0.78 -0.05 0.00 -2.36 0.00 0.00 39.78 37.02 2ghf n ASN 99 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 2ghf s SER 100 N -4.12 6.63 0.35 0.53 0.01 -1.26 -4.63 113.70 111.20 2ghf s SER 100 Ca 0.00 0.77 -0.17 0.00 1.31 0.00 0.00 55.95 57.86 2ghf s SER 100 Cb 0.00 -2.17 0.05 0.00 0.21 0.00 0.00 66.02 64.11 2ghf s SER 100 CO 0.00 0.17 0.78 -0.44 0.41 0.00 0.00 173.24 174.16 2ghf s SER 101 N -1.78 -0.07 -0.04 2.44 0.01 -1.26 -5.00 113.70 108.01 2ghf s SER 101 Ca 0.33 -0.99 0.02 0.00 1.31 0.00 0.00 55.95 56.63 2ghf s SER 101 Cb -0.14 0.81 -0.03 0.00 0.21 0.00 0.00 66.02 66.87 2ghf s SER 101 CO 0.18 -1.57 -0.08 -0.31 0.41 0.00 0.00 173.24 171.87 2ghf s TYR 102 N -2.73 2.88 -0.01 2.43 1.51 -1.26 0.21 117.35 120.39 2ghf s TYR 102 Ca 0.14 -0.03 0.04 0.00 -1.01 0.00 0.00 57.07 56.22 2ghf s TYR 102 Cb -0.05 -1.66 -0.01 0.00 -0.11 0.00 0.00 41.96 40.13 2ghf s TYR 102 CO 0.10 0.33 -0.12 0.54 -1.11 0.00 0.00 175.55 175.28 2ghf s VAL 103 N -0.87 0.99 -0.64 0.71 0.11 0.44 -1.75 120.40 119.38 2ghf s VAL 103 Ca 0.14 -0.53 -0.26 0.00 -2.93 0.00 0.00 61.98 58.40 2ghf s VAL 103 Cb -0.11 -0.83 0.04 0.00 -1.53 0.00 0.00 36.38 33.95 2ghf s VAL 103 CO 0.04 0.28 1.12 0.00 -3.33 0.00 0.00 175.10 173.21 2ghf h VAL 105 N 6.05 0.81 -0.73 0.00 2.07 -1.79 1.08 116.25 123.74 2ghf h VAL 105 Ca -0.27 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 2ghf h VAL 105 Cb 1.06 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 2ghf h VAL 105 CO 1.20 0.03 0.41 -0.33 0.02 0.00 0.00 177.57 178.89 2ghf h GLU 106 N 0.14 1.01 0.00 1.57 4.39 -1.89 -2.89 114.58 116.91 2ghf h GLU 106 Ca 0.24 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.82 2ghf h GLU 106 Cb 0.75 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2ghf h GLU 106 CO -0.03 0.75 -1.09 0.00 -1.16 0.00 0.00 179.01 177.48 2ghf n ASN 108 N -1.59 -3.39 -3.95 0.00 5.03 0.36 -5.01 115.26 106.71 2ghf n ASN 108 Ca 0.02 -0.88 -0.25 0.00 0.87 0.00 0.00 54.58 54.34 2ghf n ASN 108 Cb 0.33 -3.97 -0.17 0.00 -1.02 0.00 0.00 39.78 34.95 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 -3.57 1.41 -0.11 3.10 -0.12 -1.08 -4.94 117.98 112.66 2ghf s PHE 109 Ca 0.23 -0.62 -0.14 0.00 -0.05 0.00 0.00 56.93 56.36 2ghf s PHE 109 Cb -0.07 -1.13 -0.05 0.00 -0.63 0.00 0.00 43.02 41.15 2ghf s PHE 109 CO 0.82 -0.40 0.33 -0.51 -0.05 0.00 0.00 175.22 175.41 2ghf s LEU 110 N 1.25 4.32 0.29 -1.99 1.43 -1.26 -1.36 118.68 121.36 2ghf s LEU 110 Ca -0.04 0.65 0.07 0.00 -1.03 0.00 0.00 54.13 53.79 2ghf s LEU 110 Cb -0.14 -2.44 -0.06 0.00 0.03 0.00 0.00 46.19 43.59 2ghf s LEU 110 CO -0.03 0.17 -0.05 0.28 0.23 0.00 0.00 176.35 176.95 2ghf s THR 111 N -0.04 1.70 -0.60 5.49 -1.32 -0.72 -0.02 115.64 120.14 2ghf s THR 111 Ca 0.19 -2.12 0.25 0.00 -1.21 0.00 0.00 61.69 58.80 2ghf s THR 111 Cb -0.14 -2.51 0.31 0.00 -1.51 0.00 0.00 72.50 68.65 2ghf s THR 111 CO 0.07 -0.26 1.72 0.11 -2.21 0.00 0.00 174.62 174.05 2ghf h LYS 112 N 2.22 0.00 -5.41 7.08 1.57 -1.81 -3.35 116.57 116.88 2ghf h LYS 112 Ca -0.40 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 57.96 2ghf h LYS 112 Cb 1.24 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.35 2ghf h LYS 112 CO 0.68 0.00 -0.77 -0.98 -0.57 0.00 0.00 179.45 177.82 2ghf s ARG 113 N -3.16 0.96 0.38 3.15 1.70 -1.26 -4.94 118.95 115.79 2ghf s ARG 113 Ca 0.09 -1.16 0.23 0.00 -0.47 0.00 0.00 55.73 54.42 2ghf s ARG 113 Cb 0.10 -0.88 0.31 0.00 -0.57 0.00 0.00 34.95 33.90 2ghf s ARG 113 CO 0.61 0.18 1.52 0.10 -1.08 0.00 0.00 175.30 176.63 2ghf h TYR 114 N 3.75 0.00 -0.56 5.89 -0.00 -1.94 -3.32 116.97 120.79 2ghf h TYR 114 Ca -0.40 0.00 0.05 0.00 -0.00 0.00 0.00 58.73 58.38 2ghf h TYR 114 Cb 1.19 0.00 -0.05 0.00 -0.00 0.00 0.00 36.73 37.87 2ghf h TYR 114 CO 0.64 0.00 0.28 -0.44 -0.00 0.00 0.00 178.16 178.64 2ghf h ASP 115 N 0.00 0.39 0.14 0.10 5.19 -1.99 -2.15 116.42 118.11 2ghf h ASP 115 Ca 0.00 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.43 2ghf h ASP 115 Cb 0.98 -0.04 -0.00 0.00 0.18 0.00 0.00 39.33 40.46 2ghf h ASP 115 CO 0.00 0.26 -0.06 0.00 -3.12 0.00 0.00 179.24 176.32 2ghf h ALA 116 N 1.31 1.49 0.02 3.45 0.00 -1.92 0.15 119.26 123.77 2ghf h ALA 116 Ca 0.25 -0.06 -0.25 0.00 0.00 0.00 0.00 54.91 54.85 2ghf h ALA 116 Cb 0.18 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2ghf h ALA 116 CO -0.18 0.08 -1.33 -0.07 0.00 0.00 0.00 179.25 177.74 2ghf h LEU 117 N 0.00 0.07 -0.03 0.00 -0.00 -1.62 -2.09 115.31 111.65 2ghf h LEU 117 Ca -0.00 -0.10 -0.26 0.00 -0.00 0.00 0.00 57.88 57.53 2ghf h LEU 117 Cb 0.15 -0.02 0.01 0.00 -0.00 0.00 0.00 40.66 40.80 2ghf h LEU 117 CO 0.01 1.08 -1.09 -1.28 -0.00 0.00 0.00 178.44 177.16 2ghf h SER 118 N 0.01 0.64 1.85 -0.43 0.87 -0.48 -2.92 113.55 113.09 2ghf h SER 118 Ca -0.14 -0.56 -0.01 0.00 -1.23 0.00 0.00 61.79 59.85 2ghf h SER 118 Cb 1.90 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 63.65 2ghf h SER 118 CO 0.12 1.38 -0.15 -0.33 -0.53 0.00 0.00 176.83 177.32 2ghf h GLU 119 N 0.23 0.00 -0.24 2.24 5.08 -0.95 -3.38 114.58 117.55 2ghf h GLU 119 Ca -0.12 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.29 2ghf h GLU 119 Cb 1.75 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.93 2ghf h GLU 119 CO 0.19 0.03 -0.43 1.25 -1.00 0.00 0.00 179.01 179.05 2ghf h HIS 120 N 0.00 -1.24 0.00 4.33 2.76 -1.17 0.34 115.15 120.17 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 1.02 0.58 0.00 0.00 1.55 0.00 0.00 27.41 30.56 2ghf h HIS 120 CO 0.00 -0.46 0.00 -2.95 -1.30 0.00 0.00 177.93 173.22 2ghf h ASN 121 N -0.43 0.00 0.02 3.26 -1.07 -1.74 0.86 115.58 116.49 2ghf h ASN 121 Ca 0.10 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.47 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 -0.47 0.00 -0.01 0.25 0.07 0.00 0.00 177.43 177.27 2ghf h LEU 122 N 0.00 -0.02 0.00 6.14 5.85 -1.03 -2.91 115.31 123.35 2ghf h LEU 122 Ca 0.00 -0.71 -0.27 0.00 0.84 0.00 0.00 57.88 57.75 2ghf h LEU 122 Cb 0.34 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 2ghf h LEU 122 CO 0.00 0.79 -1.99 2.29 -0.34 0.00 0.00 178.44 179.19 2ghf n LYS 123 N -4.70 0.42 -0.07 1.25 2.85 0.93 -4.35 118.16 114.49 2ghf n LYS 123 Ca -0.08 0.11 -0.12 0.00 -1.05 0.00 0.00 58.31 57.17 2ghf n LYS 123 Cb 0.35 -1.31 -0.09 0.00 -0.65 0.00 0.00 35.03 33.33 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 -0.13 0.00 -2.30 5.58 -1.99 0.18 -3.40 116.97 114.92 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 1.56 0.00 -0.40 0.00 2.00 0.00 0.00 36.73 39.89 2ghf h TYR 124 CO 0.00 0.84 -0.38 0.72 -0.00 0.00 0.00 178.16 179.35 2ghf n HIS 125 N -4.60 3.48 -2.50 4.88 8.25 0.24 -4.95 115.22 120.01 2ghf n HIS 125 Ca -0.13 -3.90 -0.38 0.00 -0.26 0.00 0.00 57.72 53.05 2ghf n HIS 125 Cb 0.42 -0.66 -0.04 0.00 1.12 0.00 0.00 29.99 30.83 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 -2.62 4.37 0.00 -0.41 0.04 -1.10 -4.25 135.00 131.03 2ghf s PRO 126 Ca 0.39 1.66 0.00 0.00 0.04 0.00 0.00 61.00 63.09 2ghf s PRO 126 Cb 0.14 -2.84 0.00 0.00 0.04 0.00 0.00 34.50 31.85 2ghf s PRO 126 CO -0.00 0.01 0.00 0.41 0.04 0.00 0.00 177.00 177.45 2ghf n GLY 127 N 0.75 2.16 3.83 0.56 0.00 -1.25 -5.04 105.19 106.19 2ghf n GLY 127 Ca 0.02 -0.19 -0.08 0.00 0.00 0.00 0.00 46.02 45.77 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 2.06 -0.41 1.61 4.04 -1.26 -5.12 118.70 119.62 2ghf s GLU 128 Ca 0.00 -1.26 0.01 0.00 0.04 0.00 0.00 54.97 53.76 2ghf s GLU 128 Cb 0.00 0.62 0.13 0.00 0.02 0.00 0.00 34.13 34.90 2ghf s GLU 128 CO 0.00 -0.96 0.21 -2.00 -1.84 0.00 0.00 175.26 170.68 2ghf s GLU 129 N -2.95 1.11 -0.36 -4.83 2.12 -1.26 -4.66 118.70 107.87 2ghf s GLU 129 Ca 0.14 -1.78 0.04 0.00 0.36 0.00 0.00 54.97 53.73 2ghf s GLU 129 Cb -0.05 -2.16 0.17 0.00 0.26 0.00 0.00 34.13 32.34 2ghf s GLU 129 CO 0.10 -1.14 0.47 -0.80 -0.54 0.00 0.00 175.26 173.35 2ghf s ASN 130 N 0.63 -0.02 0.02 -1.70 0.01 -1.26 -5.13 114.94 107.49 2ghf s ASN 130 Ca 0.16 -0.91 0.01 0.00 -0.71 0.00 0.00 52.86 51.41 2ghf s ASN 130 Cb -0.23 1.21 -0.04 0.00 0.41 0.00 0.00 41.25 42.60 2ghf s ASN 130 CO -0.03 -0.26 0.06 -0.36 -1.51 0.00 0.00 177.10 175.00 2ghf s PHE 131 N 1.94 3.21 0.34 2.20 0.08 -1.26 -3.51 117.98 120.98 2ghf s PHE 131 Ca 0.14 0.15 0.08 0.00 0.12 0.00 0.00 56.93 57.42 2ghf s PHE 131 Cb -0.11 -1.69 -0.04 0.00 -0.57 0.00 0.00 43.02 40.61 2ghf s PHE 131 CO -0.13 0.52 0.14 -1.59 -0.10 0.00 0.00 175.22 174.06 2ghf s LYS 132 N -1.84 2.38 -0.09 0.44 -2.85 0.22 -4.95 119.74 113.05 2ghf s LYS 132 Ca 0.23 -1.54 0.03 0.00 -1.00 0.00 0.00 55.97 53.70 2ghf s LYS 132 Cb -0.12 -2.18 0.01 0.00 -2.06 0.00 0.00 37.83 33.48 2ghf s LYS 132 CO 0.15 0.12 -0.18 -0.48 0.10 0.00 0.00 175.35 175.06 2ghf s LEU 133 N -3.84 1.86 -0.08 2.77 2.34 -1.26 -2.05 118.68 118.40 2ghf s LEU 133 Ca 0.37 -0.44 -0.03 0.00 0.06 0.00 0.00 54.13 54.10 2ghf s LEU 133 Cb -0.03 -1.13 0.04 0.00 -0.56 0.00 0.00 46.19 44.52 2ghf s LEU 133 CO 0.23 0.08 0.09 0.28 -1.06 0.00 0.00 176.35 175.98 2ghf s THR 134 N 0.58 -0.15 -0.49 5.48 -1.32 0.76 -4.99 115.64 115.52 2ghf s THR 134 Ca -0.15 0.27 -0.17 0.00 -1.21 0.00 0.00 61.69 60.43 2ghf s THR 134 Cb -0.17 -0.29 0.07 0.00 -1.51 0.00 0.00 72.50 70.60 2ghf s THR 134 CO 0.05 0.06 0.51 -0.32 -2.21 0.00 0.00 174.62 172.71 2ghf s MET 135 N 2.20 3.04 -0.24 7.08 0.00 -1.26 0.40 119.30 130.52 2ghf s MET 135 Ca 0.04 -1.16 -0.03 0.00 0.00 0.00 0.00 55.69 54.54 2ghf s MET 135 Cb -0.13 -4.12 0.12 0.00 0.00 0.00 0.00 34.83 30.70 2ghf s MET 135 CO -0.05 -1.13 0.34 0.14 0.00 0.00 0.00 175.02 174.31 2ghf s VAL 136 N 2.10 -0.53 -0.04 10.11 -7.23 -1.19 -4.93 120.40 118.69 2ghf s VAL 136 Ca 0.09 -0.10 -0.01 0.00 -1.81 0.00 0.00 61.98 60.15 2ghf s VAL 136 Cb -0.22 -0.79 0.03 0.00 0.56 0.00 0.00 36.38 35.96 2ghf s VAL 136 CO 0.09 -0.16 0.03 -0.75 -0.31 0.00 0.00 175.10 174.00 2ghf s LYS 137 N 2.48 0.17 0.05 4.82 2.47 -1.26 -4.71 119.74 123.77 2ghf s LYS 137 Ca 0.11 0.22 0.07 0.00 -1.56 0.00 0.00 55.97 54.81 2ghf s LYS 137 Cb -0.15 -0.58 -0.03 0.00 -1.46 0.00 0.00 37.83 35.61 2ghf s LYS 137 CO -0.16 -0.26 -0.17 1.03 0.16 0.00 0.00 175.35 175.95 2ghf s ARG 138 N 1.71 2.05 -0.01 4.03 3.00 -1.26 -4.13 118.95 124.34 2ghf s ARG 138 Ca -0.00 -1.00 0.00 0.00 0.00 0.00 0.00 55.73 54.72 2ghf s ARG 138 Cb -0.13 -2.19 0.00 0.00 0.00 0.00 0.00 34.95 32.63 2ghf s ARG 138 CO -0.03 0.53 0.00 0.09 0.00 0.00 0.00 175.30 175.89 2ghf n ASN 139 N 1.41 -4.23 0.00 0.23 3.02 -1.26 -4.74 115.26 109.69 2ghf n ASN 139 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 2ghf n ASN 139 Cb 0.52 -1.74 0.00 0.00 -0.61 0.00 0.00 39.78 37.96 2ghf n ASN 139 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2ghf n ASN 140 N -0.40 0.00 -3.85 6.41 3.02 -1.26 -4.72 115.26 114.46 2ghf n ASN 140 Ca -0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.46 2ghf n ASN 140 Cb 0.21 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.34 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 0.35 1.54 -0.42 3.52 0.00 -1.25 -4.21 119.66 119.19 2ghf s GLN 141 Ca 0.00 -1.02 -0.19 0.00 -0.00 0.00 0.00 55.36 54.15 2ghf s GLN 141 Cb 0.00 0.53 0.02 0.00 0.00 0.00 0.00 33.01 33.56 2ghf s GLN 141 CO 0.00 -0.66 0.55 0.95 0.00 0.00 0.00 175.29 176.13 2ghf s THR 142 N -3.93 4.95 0.11 3.63 -4.23 -1.26 -4.31 115.64 110.60 2ghf s THR 142 Ca 0.14 -0.01 0.04 0.00 -1.18 0.00 0.00 61.69 60.69 2ghf s THR 142 Cb -0.02 -4.11 -0.04 0.00 1.34 0.00 0.00 72.50 69.67 2ghf s THR 142 CO 0.03 -0.47 -0.11 0.27 -0.54 0.00 0.00 174.62 173.80 2ghf s ILE 143 N 2.51 1.09 -0.21 2.99 -5.25 -1.26 -4.26 121.20 116.81 2ghf s ILE 143 Ca 0.18 -1.70 -0.22 0.00 -0.99 0.00 0.00 60.65 57.93 2ghf s ILE 143 Cb -0.15 -1.45 -0.02 0.00 2.95 0.00 0.00 42.46 43.78 2ghf s ILE 143 CO 0.16 -0.53 0.68 -0.36 -1.79 0.00 0.00 174.94 173.11 2ghf s PHE 144 N -2.41 3.36 -0.09 1.37 0.40 0.13 -3.15 117.98 117.60 2ghf s PHE 144 Ca 0.07 0.98 -0.14 0.00 -0.60 0.00 0.00 56.93 57.24 2ghf s PHE 144 Cb -0.03 -2.86 -0.05 0.00 0.51 0.00 0.00 43.02 40.59 2ghf s PHE 144 CO 0.01 -0.23 0.35 -1.21 0.70 0.00 0.00 175.22 174.84 2ghf s GLU 145 N 2.14 4.06 -0.25 0.44 2.02 0.16 -0.42 118.70 126.85 2ghf s GLU 145 Ca 0.30 0.24 0.00 0.00 0.02 0.00 0.00 54.97 55.54 2ghf s GLU 145 Cb -0.16 -3.33 0.04 0.00 0.10 0.00 0.00 34.13 30.79 2ghf s GLU 145 CO 0.10 0.45 -0.09 -1.14 0.02 0.00 0.00 175.26 174.61 2ghf s GLN 146 N -0.24 2.59 0.23 1.61 0.74 0.16 -0.17 119.66 124.59 2ghf s GLN 146 Ca 0.21 -1.13 0.09 0.00 0.05 0.00 0.00 55.36 54.58 2ghf s GLN 146 Cb -0.15 -2.93 -0.04 0.00 1.10 0.00 0.00 33.01 31.00 2ghf s GLN 146 CO 0.08 -0.47 -0.01 0.99 -0.55 0.00 0.00 175.29 175.34 2ghf s THR 147 N 1.23 3.51 0.17 -0.34 2.01 -0.87 -2.41 115.64 118.95 2ghf s THR 147 Ca -0.03 -1.76 0.05 0.00 0.31 0.00 0.00 61.69 60.27 2ghf s THR 147 Cb -0.18 -2.84 -0.04 0.00 0.01 0.00 0.00 72.50 69.46 2ghf s THR 147 CO -0.05 -0.28 0.13 -0.63 -0.69 0.00 0.00 174.62 173.10 2ghf s ILE 148 N -2.11 4.45 -1.76 1.82 1.01 -1.26 0.69 121.20 124.03 2ghf s ILE 148 Ca 0.30 -1.12 0.21 0.00 0.00 0.00 0.00 60.65 60.04 2ghf s ILE 148 Cb -0.07 -3.28 0.66 0.00 0.01 0.00 0.00 42.46 39.78 2ghf s ILE 148 CO 0.19 -0.12 1.56 -0.46 0.00 0.00 0.00 174.94 176.11 2ghf n ASN 149 N -0.39 4.11 0.16 3.58 2.04 -1.23 -4.40 115.26 119.14 2ghf n ASN 149 Ca -0.08 -2.13 0.00 0.00 -0.44 0.00 0.00 54.58 51.93 2ghf n ASN 149 Cb 0.55 -0.51 0.00 0.00 -2.53 0.00 0.00 39.78 37.29 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 1.48 -2.15 -0.55 0.53 2.03 -1.26 -4.89 116.55 111.74 2ghf n ASP 150 Ca 0.25 0.61 0.00 0.00 0.52 0.00 0.00 54.79 56.17 2ghf n ASP 150 Cb 0.69 2.13 0.02 0.00 -0.72 0.00 0.00 41.12 43.24 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 -3.29 1.19 -0.12 -2.67 4.77 -1.26 -4.12 117.00 111.50 2ghf n LEU 151 Ca 0.00 -0.60 0.12 0.00 -0.03 0.00 0.00 56.01 55.50 2ghf n LEU 151 Cb 0.00 -0.49 0.48 0.00 -2.33 0.00 0.00 43.42 41.08 2ghf n LEU 151 CO 0.00 0.26 1.20 0.74 -1.33 0.00 0.00 177.39 178.26 2ghf h THR 152 N 0.21 0.88 0.00 -5.08 2.02 -1.90 -3.47 112.91 105.56 2ghf h THR 152 Ca 0.00 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.02 2ghf h THR 152 Cb 0.55 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 2ghf h THR 152 CO 0.02 0.08 0.00 0.49 0.37 0.00 0.00 175.52 176.49