#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ghf h ALA -7 N 0.00 0.79 -2.45 3.04 0.00 -2.08 -3.41 119.26 115.14 2ghf h ALA -7 Ca 0.00 -0.41 -0.53 0.00 0.00 0.00 0.00 54.91 53.96 2ghf h ALA -7 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2ghf h ALA -7 CO 0.00 0.65 0.40 -1.01 0.00 0.00 0.00 179.25 179.29 2ghf s HIS -6 N -4.45 3.64 -0.28 0.00 0.09 -1.26 -4.92 115.29 108.11 2ghf s HIS -6 Ca -0.09 1.65 0.13 0.00 -0.00 0.00 0.00 55.06 56.74 2ghf s HIS -6 Cb 0.12 -3.17 0.79 0.00 -0.00 0.00 0.00 32.58 30.33 2ghf s HIS -6 CO 0.84 -0.21 1.73 -2.39 -0.00 0.00 0.00 174.74 174.71 2ghf n HIS -5 N 3.68 2.11 0.12 1.40 -0.00 -1.26 -4.57 115.22 116.71 2ghf n HIS -5 Ca 0.06 -0.78 0.14 0.00 -0.00 0.00 0.00 57.72 57.13 2ghf n HIS -5 Cb 0.50 -0.54 0.65 0.00 -0.00 0.00 0.00 29.99 30.61 2ghf n HIS -5 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2ghf h HIS -4 N 3.68 0.03 -0.06 -1.40 -0.00 -1.96 0.18 115.15 115.62 2ghf h HIS -4 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.42 2ghf h HIS -4 Cb 2.01 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 29.41 2ghf h HIS -4 CO 1.11 0.01 0.00 0.72 -0.00 0.00 0.00 177.93 179.77 2ghf n HIS -3 N -4.46 0.08 0.00 5.26 -0.00 -1.26 -4.92 115.22 109.91 2ghf n HIS -3 Ca 0.03 -0.04 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2ghf n HIS -3 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.33 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 -0.37 0.00 0.00 4.41 -0.00 0.62 -0.90 115.22 118.98 2ghf n HIS -2 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.87 2ghf n HIS -2 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.16 2ghf n HIS -2 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2ghf n HIS -1 N 0.00 0.00 -1.37 1.57 -0.00 -1.26 -4.98 115.22 109.18 2ghf n HIS -1 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.41 2ghf n HIS -1 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 29.93 2ghf n HIS -1 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 2ghf n ASN 60 N 0.00 7.56 -0.25 0.26 5.15 -0.07 -3.51 115.26 124.39 2ghf n ASN 60 Ca 0.00 -2.71 0.03 0.00 -0.60 0.00 0.00 54.58 51.30 2ghf n ASN 60 Cb 0.00 -1.46 0.08 0.00 -0.53 0.00 0.00 39.78 37.87 2ghf n ASN 60 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ghf n GLN 61 N 2.72 2.76 -3.97 1.20 10.64 -1.26 -4.95 117.38 124.52 2ghf n GLN 61 Ca 0.64 -1.87 -0.31 0.00 -1.83 0.00 0.00 57.00 53.63 2ghf n GLN 61 Cb 0.43 -1.19 -0.15 0.00 -0.86 0.00 0.00 30.24 28.47 2ghf n GLN 61 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 2ghf s GLN 62 N -1.34 1.78 0.00 2.61 -1.52 -1.23 -4.90 119.66 115.06 2ghf s GLN 62 Ca 0.13 -1.10 0.20 0.00 -1.95 0.00 0.00 55.36 52.64 2ghf s GLN 62 Cb 0.09 -2.67 -0.06 0.00 -0.22 0.00 0.00 33.01 30.15 2ghf s GLN 62 CO 0.05 -0.60 0.95 0.27 -0.25 0.00 0.00 175.29 175.71 2ghf n ASN 63 N 4.60 1.63 -0.09 5.90 0.23 -1.26 -4.24 115.26 122.03 2ghf n ASN 63 Ca -0.12 -1.31 0.14 0.00 -0.53 0.00 0.00 54.58 52.76 2ghf n ASN 63 Cb 0.43 0.61 0.66 0.00 -2.08 0.00 0.00 39.78 39.40 2ghf n ASN 63 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 2ghf n LYS 64 N -0.41 0.66 -2.40 -3.83 4.76 -1.26 -4.82 118.16 110.86 2ghf n LYS 64 Ca 0.07 -0.18 -0.25 0.00 -2.87 0.00 0.00 58.31 55.07 2ghf n LYS 64 Cb 0.39 -1.50 0.04 0.00 -1.84 0.00 0.00 35.03 32.12 2ghf n LYS 64 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2ghf s LYS 65 N -2.46 2.62 0.01 1.97 0.00 -1.26 -4.99 119.74 115.62 2ghf s LYS 65 Ca 0.30 -0.24 -0.39 0.00 0.00 0.00 0.00 55.97 55.64 2ghf s LYS 65 Cb 0.20 -2.29 -0.19 0.00 0.00 0.00 0.00 37.83 35.55 2ghf s LYS 65 CO 0.47 -0.86 1.11 1.55 0.00 0.00 0.00 175.35 177.61 2ghf n VAL 66 N -2.63 0.00 0.00 1.79 3.14 -1.26 -4.96 118.33 114.40 2ghf n VAL 66 Ca 0.06 -0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 2ghf n VAL 66 Cb 0.59 -0.13 0.00 0.00 -1.06 0.00 0.00 33.84 33.24 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 1.66 0.00 0.00 1.45 1.02 -1.26 -4.98 120.64 118.53 2ghf n GLU 67 Ca 0.20 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 2ghf n GLU 67 Cb 0.10 -0.26 0.00 0.00 -0.02 0.00 0.00 31.44 31.25 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 2.12 0.86 0.00 0.62 0.00 -1.26 -5.03 105.19 102.50 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 3.94 3.35 -0.02 0.00 -1.26 -4.73 105.19 106.47 2ghf n GLY 69 Ca 0.00 -1.91 -0.38 0.00 0.00 0.00 0.00 46.02 43.74 2ghf n GLY 69 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ghf s TYR 70 N 2.19 3.16 -0.28 1.61 2.02 0.10 -4.79 117.35 121.37 2ghf s TYR 70 Ca 0.00 -0.98 -0.15 0.00 -0.37 0.00 0.00 57.07 55.57 2ghf s TYR 70 Cb 0.00 -2.27 -0.03 0.00 -0.40 0.00 0.00 41.96 39.25 2ghf s TYR 70 CO 0.00 -0.58 0.38 -2.00 -1.57 0.00 0.00 175.55 171.77 2ghf s GLU 71 N 1.50 3.96 0.57 -0.62 2.12 -1.26 -1.87 118.70 123.10 2ghf s GLU 71 Ca 0.02 -0.01 -0.18 0.00 0.36 0.00 0.00 54.97 55.16 2ghf s GLU 71 Cb -0.17 -3.68 -0.04 0.00 0.26 0.00 0.00 34.13 30.50 2ghf s GLU 71 CO 0.03 -0.31 1.11 0.00 -0.54 0.00 0.00 175.26 175.54 2ghf h LYS 73 N 0.83 0.00 -0.03 0.00 3.11 -0.93 -3.28 116.57 116.26 2ghf h LYS 73 Ca -0.49 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.35 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 0.56 0.52 0.00 2.48 -2.81 0.00 0.00 179.45 180.20 2ghf n TYR 74 N -3.41 0.00 -3.66 1.91 4.11 -1.26 -4.60 117.16 110.25 2ghf n TYR 74 Ca 0.01 -0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.79 2ghf n TYR 74 Cb 0.65 -0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 39.91 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 3.25 0.29 -2.66 0.00 -1.04 -1.26 -3.10 114.28 109.75 2ghf n THR 76 Ca -0.16 -0.22 -0.43 0.00 -2.04 0.00 0.00 64.05 61.20 2ghf n THR 76 Cb 0.56 -0.04 -0.03 0.00 -1.82 0.00 0.00 70.33 69.01 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 -1.69 2.88 -0.03 -1.42 5.36 -1.26 -4.91 117.98 116.91 2ghf s PHE 77 Ca 0.10 0.68 0.01 0.00 -0.96 0.00 0.00 56.93 56.77 2ghf s PHE 77 Cb 0.06 -4.24 -0.03 0.00 -0.34 0.00 0.00 43.02 38.47 2ghf s PHE 77 CO 0.06 -1.17 -0.03 -1.14 -1.46 0.00 0.00 175.22 171.48 2ghf s GLN 78 N 4.19 2.76 -0.10 10.12 0.74 -1.26 -3.96 119.66 132.15 2ghf s GLN 78 Ca 0.45 -0.59 -0.05 0.00 0.05 0.00 0.00 55.36 55.22 2ghf s GLN 78 Cb -0.08 -2.64 0.05 0.00 1.10 0.00 0.00 33.01 31.44 2ghf s GLN 78 CO 0.29 0.64 0.23 -0.08 -0.55 0.00 0.00 175.29 175.81 2ghf s THR 79 N -0.98 -0.07 -1.62 -0.34 -1.32 -0.78 -4.88 115.64 105.65 2ghf s THR 79 Ca 0.16 0.17 0.20 0.00 -1.21 0.00 0.00 61.69 61.01 2ghf s THR 79 Cb -0.11 -0.36 0.43 0.00 -1.51 0.00 0.00 72.50 70.95 2ghf s THR 79 CO 0.06 0.07 1.63 -0.81 -2.21 0.00 0.00 174.62 173.36 2ghf n PRO 80 N 4.32 0.41 -3.26 7.08 -0.04 -1.26 0.01 135.00 142.26 2ghf n PRO 80 Ca -0.24 0.07 -0.43 0.00 -0.04 0.00 0.00 63.50 62.85 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 -2.38 6.23 0.23 3.54 1.01 -1.26 -4.81 116.67 119.22 2ghf s ASP 81 Ca 0.23 -0.61 -0.06 0.00 0.71 0.00 0.00 52.55 52.82 2ghf s ASP 81 Cb 0.14 -2.25 0.36 0.00 1.01 0.00 0.00 42.92 42.18 2ghf s ASP 81 CO 0.28 -0.65 1.77 0.25 0.21 0.00 0.00 175.17 177.04 2ghf h LEU 82 N 9.25 0.43 -0.77 1.23 7.12 -1.98 0.22 115.31 130.80 2ghf h LEU 82 Ca -0.26 0.07 -0.02 0.00 0.13 0.00 0.00 57.88 57.80 2ghf h LEU 82 Cb 1.11 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 41.20 2ghf h LEU 82 CO 0.83 0.23 0.40 -1.13 -0.13 0.00 0.00 178.44 178.65 2ghf h ASN 83 N 0.57 0.98 0.24 1.25 -0.00 -1.97 0.26 115.58 116.92 2ghf h ASN 83 Ca 0.36 -0.11 -0.13 0.00 -0.00 0.00 0.00 56.30 56.43 2ghf h ASN 83 Cb 0.42 -0.25 -0.01 0.00 -0.00 0.00 0.00 38.32 38.48 2ghf h ASN 83 CO -0.29 0.81 -0.48 0.24 -0.00 0.00 0.00 177.43 177.71 2ghf h MET 84 N 1.07 0.28 0.47 6.67 2.86 -1.67 0.15 114.93 124.78 2ghf h MET 84 Ca 0.27 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.73 2ghf h MET 84 Cb 0.07 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.74 2ghf h MET 84 CO -0.04 0.71 -0.23 0.35 1.06 0.00 0.00 176.91 178.76 2ghf h PHE 85 N 0.23 -0.59 0.00 -0.22 3.57 0.55 -1.05 116.94 119.43 2ghf h PHE 85 Ca 0.01 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.40 2ghf h PHE 85 Cb 0.94 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 2ghf h PHE 85 CO 0.02 -0.29 -0.45 0.00 -2.23 0.00 0.00 178.31 175.36 2ghf h THR 86 N -0.81 1.06 0.20 4.41 1.03 -0.46 -1.71 112.91 116.63 2ghf h THR 86 Ca -0.06 -1.70 -0.01 0.00 -0.01 0.00 0.00 66.41 64.62 2ghf h THR 86 Cb 0.56 1.99 0.00 0.00 -1.07 0.00 0.00 68.15 69.64 2ghf h THR 86 CO 0.11 0.44 -0.10 0.15 -0.01 0.00 0.00 175.52 176.11 2ghf h PHE 87 N 0.00 -0.25 0.00 0.00 3.57 -0.63 0.23 116.94 119.86 2ghf h PHE 87 Ca -0.00 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 2ghf h PHE 87 Cb 0.96 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 2ghf h PHE 87 CO 0.00 0.05 -0.33 1.12 -2.23 0.00 0.00 178.31 176.92 2ghf h HIS 88 N -0.54 0.00 0.56 0.41 2.07 -1.06 0.12 115.15 116.71 2ghf h HIS 88 Ca -0.03 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.47 2ghf h HIS 88 Cb 0.41 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.39 2ghf h HIS 88 CO 0.01 0.33 -0.27 0.28 -3.07 0.00 0.00 177.93 175.22 2ghf h VAL 89 N 0.00 0.32 0.00 6.12 2.07 -1.12 0.21 116.25 123.85 2ghf h VAL 89 Ca -0.00 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 2ghf h VAL 89 Cb 0.63 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 2ghf h VAL 89 CO 0.04 0.04 -0.03 -0.78 0.02 0.00 0.00 177.57 176.86 2ghf h ASP 90 N -1.01 0.00 0.00 0.57 3.58 -0.16 0.34 116.42 119.75 2ghf h ASP 90 Ca -0.08 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.26 2ghf h ASP 90 Cb 0.64 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.68 2ghf h ASP 90 CO 0.13 0.03 -0.62 -1.28 -2.88 0.00 0.00 179.24 174.62 2ghf h SER 91 N 0.00 0.00 0.01 2.28 0.87 -0.95 -3.38 113.55 112.38 2ghf h SER 91 Ca -0.00 -0.75 -0.39 0.00 -1.23 0.00 0.00 61.79 59.42 2ghf h SER 91 Cb 0.09 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 61.98 2ghf h SER 91 CO 0.00 1.24 -2.45 -0.62 -0.53 0.00 0.00 176.83 174.47 2ghf n GLU 92 N -4.52 0.65 -3.18 2.24 -0.58 0.72 -4.69 120.64 111.28 2ghf n GLU 92 Ca -0.21 0.16 -0.23 0.00 -0.42 0.00 0.00 57.16 56.47 2ghf n GLU 92 Cb 0.58 -1.53 -0.05 0.00 -0.57 0.00 0.00 31.44 29.86 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 -3.31 1.21 0.35 -0.32 1.44 0.11 -4.88 115.22 109.81 2ghf n HIS 93 Ca -0.46 -3.82 0.14 0.00 -2.01 0.00 0.00 57.72 51.58 2ghf n HIS 93 Cb 0.99 -0.43 0.50 0.00 0.12 0.00 0.00 29.99 31.17 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 3.47 0.00 -3.44 -1.40 0.13 -1.50 -3.41 132.00 125.85 2ghf h PRO 94 Ca 0.11 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.08 2ghf h PRO 94 Cb 0.81 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 31.72 2ghf h PRO 94 CO 0.59 0.00 -0.49 1.21 -0.23 0.00 0.00 178.00 179.08 2ghf s ASN 95 N -5.22 -0.05 0.23 1.44 3.84 -1.26 -4.95 114.94 108.97 2ghf s ASN 95 Ca 0.04 -0.02 -0.22 0.00 0.21 0.00 0.00 52.86 52.87 2ghf s ASN 95 Cb 0.09 0.26 0.05 0.00 -0.55 0.00 0.00 41.25 41.09 2ghf s ASN 95 CO 0.53 -0.27 0.86 0.54 -2.79 0.00 0.00 177.10 175.97 2ghf s VAL 96 N -0.91 0.00 0.13 -5.21 0.11 -1.26 -5.09 120.40 108.17 2ghf s VAL 96 Ca -0.10 -0.81 -0.35 0.00 -2.93 0.00 0.00 61.98 57.79 2ghf s VAL 96 Cb -0.05 -2.17 -0.15 0.00 -1.53 0.00 0.00 36.38 32.47 2ghf s VAL 96 CO 0.01 0.00 1.40 0.52 -3.33 0.00 0.00 175.10 173.70 2ghf n VAL 97 N -0.49 0.19 -2.51 2.04 0.31 -1.26 -4.87 118.33 111.73 2ghf n VAL 97 Ca -0.05 -0.05 -0.40 0.00 -0.01 0.00 0.00 64.34 63.83 2ghf n VAL 97 Cb 0.60 -1.11 -0.03 0.00 -0.91 0.00 0.00 33.84 32.39 2ghf n VAL 97 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2ghf s LEU 98 N 0.61 3.48 0.46 7.52 1.43 -1.26 -4.89 118.68 126.03 2ghf s LEU 98 Ca 0.80 -1.43 0.04 0.00 -1.03 0.00 0.00 54.13 52.51 2ghf s LEU 98 Cb -0.83 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.78 2ghf s LEU 98 CO 0.45 -1.61 0.03 0.21 0.23 0.00 0.00 176.35 175.66 2ghf s ASN 99 N 5.22 4.05 -0.20 2.29 3.84 -1.26 -4.99 114.94 123.89 2ghf s ASN 99 Ca 0.49 -1.48 -0.07 0.00 0.21 0.00 0.00 52.86 52.00 2ghf s ASN 99 Cb -0.00 0.05 -0.04 0.00 -0.55 0.00 0.00 41.25 40.71 2ghf s ASN 99 CO -0.08 -0.66 0.05 -0.44 -2.79 0.00 0.00 177.10 173.18 2ghf s SER 100 N -3.82 5.37 0.34 -4.21 0.01 -1.26 -4.56 113.70 105.58 2ghf s SER 100 Ca 0.22 -0.03 -0.16 0.00 1.31 0.00 0.00 55.95 57.29 2ghf s SER 100 Cb 0.05 -1.93 0.04 0.00 0.21 0.00 0.00 66.02 64.40 2ghf s SER 100 CO 0.11 0.12 0.73 -0.44 0.41 0.00 0.00 173.24 174.17 2ghf s SER 101 N 0.71 -0.00 -0.03 2.44 0.01 -1.26 -5.03 113.70 110.53 2ghf s SER 101 Ca 0.03 -1.01 0.03 0.00 1.31 0.00 0.00 55.95 56.31 2ghf s SER 101 Cb -0.13 0.79 -0.03 0.00 0.21 0.00 0.00 66.02 66.85 2ghf s SER 101 CO 0.02 -1.53 -0.11 -0.31 0.41 0.00 0.00 173.24 171.72 2ghf s TYR 102 N -2.93 2.80 0.00 2.43 1.51 -1.26 -0.55 117.35 119.36 2ghf s TYR 102 Ca 0.16 -0.08 0.03 0.00 -1.01 0.00 0.00 57.07 56.17 2ghf s TYR 102 Cb -0.05 -1.63 -0.01 0.00 -0.11 0.00 0.00 41.96 40.16 2ghf s TYR 102 CO 0.11 0.28 -0.11 0.54 -1.11 0.00 0.00 175.55 175.26 2ghf s VAL 103 N -0.84 0.84 -0.58 0.71 0.11 -0.22 -2.19 120.40 118.23 2ghf s VAL 103 Ca 0.13 -0.55 -0.27 0.00 -2.93 0.00 0.00 61.98 58.36 2ghf s VAL 103 Cb -0.11 -0.72 0.03 0.00 -1.53 0.00 0.00 36.38 34.06 2ghf s VAL 103 CO 0.03 0.16 1.11 0.00 -3.33 0.00 0.00 175.10 173.07 2ghf h VAL 105 N 6.10 0.54 -0.31 0.00 2.07 -1.80 1.01 116.25 123.86 2ghf h VAL 105 Ca -0.26 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.15 2ghf h VAL 105 Cb 1.06 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 2ghf h VAL 105 CO 1.16 0.00 -0.28 -0.33 0.02 0.00 0.00 177.57 178.14 2ghf h GLU 106 N 0.00 0.64 0.00 1.57 4.39 -1.89 -3.16 114.58 116.14 2ghf h GLU 106 Ca 0.01 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.44 2ghf h GLU 106 Cb 0.06 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 2ghf h GLU 106 CO -0.00 0.86 -1.28 0.00 -1.16 0.00 0.00 179.01 177.42 2ghf n ASN 108 N -1.75 -4.63 -3.94 0.00 5.03 0.34 -5.02 115.26 105.29 2ghf n ASN 108 Ca -0.00 -0.86 -0.25 0.00 0.87 0.00 0.00 54.58 54.33 2ghf n ASN 108 Cb 0.34 -4.16 -0.17 0.00 -1.02 0.00 0.00 39.78 34.78 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 -3.49 1.32 -0.17 3.10 -0.12 -1.07 -4.94 117.98 112.61 2ghf s PHE 109 Ca 0.34 -0.56 -0.14 0.00 -0.05 0.00 0.00 56.93 56.53 2ghf s PHE 109 Cb -0.09 -1.07 -0.05 0.00 -0.63 0.00 0.00 43.02 41.19 2ghf s PHE 109 CO 0.81 -0.37 0.28 -0.51 -0.05 0.00 0.00 175.22 175.38 2ghf s LEU 110 N 1.25 4.23 0.26 -1.99 1.43 -1.26 -1.68 118.68 120.92 2ghf s LEU 110 Ca -0.04 0.48 0.12 0.00 -1.03 0.00 0.00 54.13 53.65 2ghf s LEU 110 Cb -0.14 -2.36 -0.05 0.00 0.03 0.00 0.00 46.19 43.68 2ghf s LEU 110 CO -0.03 0.09 -0.21 0.28 0.23 0.00 0.00 176.35 176.72 2ghf s THR 111 N 0.54 2.47 -0.10 5.49 -1.32 -0.93 -0.39 115.64 121.39 2ghf s THR 111 Ca 0.16 -2.32 0.30 0.00 -1.21 0.00 0.00 61.69 58.62 2ghf s THR 111 Cb -0.13 -2.27 0.35 0.00 -1.51 0.00 0.00 72.50 68.94 2ghf s THR 111 CO 0.04 -0.34 1.89 0.11 -2.21 0.00 0.00 174.62 174.11 2ghf h LYS 112 N 2.48 0.00 -4.90 7.08 1.57 -1.78 -3.39 116.57 117.62 2ghf h LYS 112 Ca -0.41 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.04 2ghf h LYS 112 Cb 1.25 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.41 2ghf h LYS 112 CO 0.57 0.00 -0.66 -0.98 -0.57 0.00 0.00 179.45 177.81 2ghf s ARG 113 N -3.53 1.20 0.29 3.15 1.70 -1.26 -5.03 118.95 115.48 2ghf s ARG 113 Ca 0.03 -1.59 0.20 0.00 -0.47 0.00 0.00 55.73 53.90 2ghf s ARG 113 Cb 0.09 -0.38 0.13 0.00 -0.57 0.00 0.00 34.95 34.21 2ghf s ARG 113 CO 0.52 -0.13 1.32 1.88 -1.08 0.00 0.00 175.30 177.81 2ghf h TYR 114 N 2.60 0.00 -0.38 5.89 0.05 -1.96 -3.36 116.97 119.82 2ghf h TYR 114 Ca -0.37 0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.46 2ghf h TYR 114 Cb 1.21 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.90 2ghf h TYR 114 CO 0.54 0.18 0.08 -0.44 -1.05 0.00 0.00 178.16 177.48 2ghf h ASP 115 N 0.00 0.03 -0.00 3.88 5.19 -1.99 -1.70 116.42 121.83 2ghf h ASP 115 Ca -0.02 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 2ghf h ASP 115 Cb 1.16 0.08 -0.00 0.00 0.18 0.00 0.00 39.33 40.74 2ghf h ASP 115 CO 0.02 0.05 0.00 0.00 -3.12 0.00 0.00 179.24 176.20 2ghf h ALA 116 N 1.28 1.56 0.11 3.45 0.00 -1.97 0.16 119.26 123.85 2ghf h ALA 116 Ca 0.18 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.78 2ghf h ALA 116 Cb 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2ghf h ALA 116 CO -0.23 -0.00 -1.56 -0.07 0.00 0.00 0.00 179.25 177.39 2ghf h LEU 117 N 0.00 0.37 -0.12 0.00 -0.00 -1.56 -2.60 115.31 111.40 2ghf h LEU 117 Ca 0.00 -0.53 -0.08 0.00 -0.00 0.00 0.00 57.88 57.27 2ghf h LEU 117 Cb 0.01 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 40.55 2ghf h LEU 117 CO -0.00 1.44 -0.25 0.28 -0.00 0.00 0.00 178.44 179.92 2ghf h SER 118 N 0.06 0.43 1.83 -0.43 0.02 -0.42 -2.96 113.55 112.08 2ghf h SER 118 Ca -0.25 -0.56 0.00 0.00 -0.84 0.00 0.00 61.79 60.14 2ghf h SER 118 Cb 2.01 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 64.43 2ghf h SER 118 CO 0.15 0.91 -0.04 -0.33 -1.14 0.00 0.00 176.83 176.38 2ghf h GLU 119 N -0.03 0.00 -0.46 3.45 5.08 -0.96 -3.38 114.58 118.28 2ghf h GLU 119 Ca 0.00 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 2ghf h GLU 119 Cb 0.84 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.00 2ghf h GLU 119 CO 0.05 0.00 -0.53 1.25 -1.00 0.00 0.00 179.01 178.79 2ghf h HIS 120 N 0.00 -1.59 0.00 4.33 2.76 -1.28 0.27 115.15 119.63 2ghf h HIS 120 Ca 0.00 0.08 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 2ghf h HIS 120 Cb 0.93 0.76 0.00 0.00 1.55 0.00 0.00 27.41 30.65 2ghf h HIS 120 CO 0.00 -0.47 0.00 -2.95 -1.30 0.00 0.00 177.93 173.21 2ghf h ASN 121 N -0.35 0.00 0.01 3.26 -1.07 -1.73 0.85 115.58 116.55 2ghf h ASN 121 Ca 0.10 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.47 2ghf h ASN 121 Cb 0.58 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.83 2ghf h ASN 121 CO -0.63 0.00 -0.00 0.25 0.07 0.00 0.00 177.43 177.12 2ghf h LEU 122 N 0.00 -0.01 0.00 6.14 5.85 -1.00 -2.85 115.31 123.44 2ghf h LEU 122 Ca 0.00 -0.77 -0.27 0.00 0.84 0.00 0.00 57.88 57.68 2ghf h LEU 122 Cb 0.24 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 2ghf h LEU 122 CO 0.00 0.86 -2.01 2.29 -0.34 0.00 0.00 178.44 179.25 2ghf n LYS 123 N -4.66 0.58 -0.07 1.25 2.85 0.67 -4.35 118.16 114.43 2ghf n LYS 123 Ca -0.08 0.09 -0.09 0.00 -1.05 0.00 0.00 58.31 57.18 2ghf n LYS 123 Cb 0.38 -1.36 -0.06 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 0.00 0.00 -2.37 5.58 -1.99 0.26 -3.41 116.97 115.03 2ghf h TYR 124 Ca -0.39 0.00 -0.65 0.00 2.00 0.00 0.00 58.73 59.68 2ghf h TYR 124 Cb 1.64 0.00 -0.39 0.00 2.00 0.00 0.00 36.73 39.99 2ghf h TYR 124 CO 0.02 0.54 -0.25 0.72 -0.00 0.00 0.00 178.16 179.19 2ghf n HIS 125 N -4.61 3.31 -2.48 4.88 8.25 0.19 -4.94 115.22 119.82 2ghf n HIS 125 Ca -0.12 -3.77 -0.35 0.00 -0.26 0.00 0.00 57.72 53.22 2ghf n HIS 125 Cb 0.34 -0.73 -0.03 0.00 1.12 0.00 0.00 29.99 30.69 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 -2.56 3.85 0.00 -0.41 0.04 -1.08 -4.27 135.00 130.57 2ghf s PRO 126 Ca 0.38 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.90 2ghf s PRO 126 Cb 0.12 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.41 2ghf s PRO 126 CO 0.02 -0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.06 2ghf n GLY 127 N 0.05 1.02 3.48 0.56 0.00 -1.25 -5.04 105.19 104.01 2ghf n GLY 127 Ca 0.08 0.02 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 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 1.69 -0.40 1.61 4.04 -1.26 -5.13 118.70 119.25 2ghf s GLU 128 Ca 0.00 -1.57 0.01 0.00 0.04 0.00 0.00 54.97 53.45 2ghf s GLU 128 Cb 0.00 0.43 0.13 0.00 0.02 0.00 0.00 34.13 34.71 2ghf s GLU 128 CO 0.00 -0.69 0.21 -2.00 -1.84 0.00 0.00 175.26 170.95 2ghf s GLU 129 N -3.53 1.00 -0.35 -4.83 2.12 -1.26 -4.70 118.70 107.15 2ghf s GLU 129 Ca 0.29 -1.69 0.05 0.00 0.36 0.00 0.00 54.97 53.98 2ghf s GLU 129 Cb 0.01 -1.98 0.17 0.00 0.26 0.00 0.00 34.13 32.59 2ghf s GLU 129 CO 0.15 -1.16 0.50 -0.80 -0.54 0.00 0.00 175.26 173.41 2ghf s ASN 130 N 0.72 -0.34 0.02 -1.70 0.01 -1.26 -5.14 114.94 107.24 2ghf s ASN 130 Ca 0.17 -0.70 0.01 0.00 -0.71 0.00 0.00 52.86 51.62 2ghf s ASN 130 Cb -0.23 1.39 -0.04 0.00 0.41 0.00 0.00 41.25 42.78 2ghf s ASN 130 CO -0.02 -0.27 0.06 -0.36 -1.51 0.00 0.00 177.10 175.00 2ghf s PHE 131 N 2.11 3.20 0.34 2.20 0.08 -1.26 -3.54 117.98 121.11 2ghf s PHE 131 Ca 0.13 0.14 0.09 0.00 0.12 0.00 0.00 56.93 57.41 2ghf s PHE 131 Cb -0.10 -1.69 -0.05 0.00 -0.57 0.00 0.00 43.02 40.61 2ghf s PHE 131 CO -0.16 0.52 0.04 -1.59 -0.10 0.00 0.00 175.22 173.93 2ghf s LYS 132 N -1.83 2.13 -0.04 0.44 -2.85 0.23 -4.94 119.74 112.89 2ghf s LYS 132 Ca 0.23 -1.72 0.06 0.00 -1.00 0.00 0.00 55.97 53.54 2ghf s LYS 132 Cb -0.12 -1.97 -0.01 0.00 -2.06 0.00 0.00 37.83 33.67 2ghf s LYS 132 CO 0.15 0.12 -0.23 -0.48 0.10 0.00 0.00 175.35 175.01 2ghf s LEU 133 N -3.75 2.03 -0.19 2.77 2.34 -1.26 -1.39 118.68 119.23 2ghf s LEU 133 Ca 0.35 -0.44 -0.04 0.00 0.06 0.00 0.00 54.13 54.06 2ghf s LEU 133 Cb -0.00 -1.22 0.09 0.00 -0.56 0.00 0.00 46.19 44.50 2ghf s LEU 133 CO 0.20 0.24 0.30 0.28 -1.06 0.00 0.00 176.35 176.31 2ghf s THR 134 N -0.26 -0.47 -0.48 5.48 -1.32 0.13 -4.97 115.64 113.76 2ghf s THR 134 Ca 0.01 0.08 -0.17 0.00 -1.21 0.00 0.00 61.69 60.39 2ghf s THR 134 Cb -0.12 -0.62 0.06 0.00 -1.51 0.00 0.00 72.50 70.31 2ghf s THR 134 CO 0.02 -0.03 0.50 0.00 -2.21 0.00 0.00 174.62 172.90 2ghf s MET 135 N 2.45 3.06 -0.23 7.08 0.23 -1.26 0.13 119.30 130.76 2ghf s MET 135 Ca 0.05 -1.06 -0.03 0.00 -1.03 0.00 0.00 55.69 53.62 2ghf s MET 135 Cb -0.14 -4.09 0.12 0.00 -1.53 0.00 0.00 34.83 29.19 2ghf s MET 135 CO -0.12 -1.09 0.35 0.14 -2.03 0.00 0.00 175.02 172.27 2ghf s VAL 136 N 2.16 -0.55 -0.12 5.16 -7.23 -1.20 -4.93 120.40 113.68 2ghf s VAL 136 Ca 0.10 -0.04 -0.03 0.00 -1.81 0.00 0.00 61.98 60.20 2ghf s VAL 136 Cb -0.21 -0.76 0.04 0.00 0.56 0.00 0.00 36.38 36.02 2ghf s VAL 136 CO 0.10 -0.11 0.04 -0.75 -0.31 0.00 0.00 175.10 174.07 2ghf s LYS 137 N 2.50 0.38 0.13 4.82 2.47 -1.26 -4.72 119.74 124.06 2ghf s LYS 137 Ca 0.10 -0.05 0.07 0.00 -1.56 0.00 0.00 55.97 54.54 2ghf s LYS 137 Cb -0.15 -1.43 -0.04 0.00 -1.46 0.00 0.00 37.83 34.75 2ghf s LYS 137 CO -0.14 -0.49 -0.07 1.03 0.16 0.00 0.00 175.35 175.83 2ghf s ARG 138 N 2.01 2.21 -0.33 4.03 3.00 -1.26 -4.19 118.95 124.41 2ghf s ARG 138 Ca 0.03 -1.05 0.00 0.00 0.00 0.00 0.00 55.73 54.70 2ghf s ARG 138 Cb -0.14 -2.32 0.00 0.00 0.00 0.00 0.00 34.95 32.49 2ghf s ARG 138 CO -0.07 0.49 0.00 0.09 0.00 0.00 0.00 175.30 175.82 2ghf n ASN 139 N 0.45 -4.63 0.00 0.23 4.13 -1.26 -4.86 115.26 109.32 2ghf n ASN 139 Ca -0.12 0.08 0.00 0.00 1.68 0.00 0.00 54.58 56.22 2ghf n ASN 139 Cb 0.53 -2.41 0.00 0.00 -1.54 0.00 0.00 39.78 36.37 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 -0.40 0.00 -4.98 6.41 3.02 -1.26 -4.96 115.26 113.10 2ghf n ASN 140 Ca -0.03 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.31 2ghf n ASN 140 Cb 0.31 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.49 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 1.80 2.93 -0.42 3.52 0.00 -1.26 -5.01 119.66 121.21 2ghf s GLN 141 Ca 0.00 -0.82 -0.20 0.00 -0.00 0.00 0.00 55.36 54.34 2ghf s GLN 141 Cb 0.00 -2.65 0.02 0.00 0.00 0.00 0.00 33.01 30.38 2ghf s GLN 141 CO 0.00 -0.27 0.58 0.95 0.00 0.00 0.00 175.29 176.55 2ghf s THR 142 N -2.46 4.91 0.10 3.63 -4.23 -1.26 -4.41 115.64 111.92 2ghf s THR 142 Ca 0.50 0.06 0.03 0.00 -1.18 0.00 0.00 61.69 61.10 2ghf s THR 142 Cb -0.10 -4.13 -0.04 0.00 1.34 0.00 0.00 72.50 69.57 2ghf s THR 142 CO 0.35 -0.50 -0.09 0.27 -0.54 0.00 0.00 174.62 174.12 2ghf s ILE 143 N 2.61 0.84 -0.15 2.99 -5.25 -1.26 -4.60 121.20 116.37 2ghf s ILE 143 Ca 0.20 -1.70 -0.22 0.00 -0.99 0.00 0.00 60.65 57.94 2ghf s ILE 143 Cb -0.15 -1.41 -0.03 0.00 2.95 0.00 0.00 42.46 43.82 2ghf s ILE 143 CO 0.17 -0.65 0.65 -0.36 -1.79 0.00 0.00 174.94 172.96 2ghf s PHE 144 N -2.75 3.44 -0.01 1.37 0.40 0.29 -3.28 117.98 117.45 2ghf s PHE 144 Ca 0.07 1.03 -0.13 0.00 -0.60 0.00 0.00 56.93 57.30 2ghf s PHE 144 Cb -0.01 -2.79 -0.05 0.00 0.51 0.00 0.00 43.02 40.68 2ghf s PHE 144 CO -0.01 -0.08 0.36 -1.21 0.70 0.00 0.00 175.22 174.98 2ghf s GLU 145 N 1.52 3.81 -0.23 0.44 2.02 0.12 -1.05 118.70 125.33 2ghf s GLU 145 Ca 0.31 0.29 0.02 0.00 0.02 0.00 0.00 54.97 55.61 2ghf s GLU 145 Cb -0.16 -3.18 0.05 0.00 0.10 0.00 0.00 34.13 30.93 2ghf s GLU 145 CO 0.12 0.69 -0.14 -1.14 0.02 0.00 0.00 175.26 174.81 2ghf s GLN 146 N -1.20 2.45 0.27 1.61 0.74 0.17 0.20 119.66 123.90 2ghf s GLN 146 Ca 0.24 -1.16 0.10 0.00 0.05 0.00 0.00 55.36 54.59 2ghf s GLN 146 Cb -0.16 -2.76 -0.04 0.00 1.10 0.00 0.00 33.01 31.15 2ghf s GLN 146 CO 0.13 -0.45 -0.01 0.99 -0.55 0.00 0.00 175.29 175.40 2ghf s THR 147 N 1.18 3.44 0.17 -0.34 2.01 -0.49 -2.40 115.64 119.20 2ghf s THR 147 Ca -0.04 -1.92 0.05 0.00 0.31 0.00 0.00 61.69 60.09 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 -0.08 -0.38 0.11 -0.63 -0.69 0.00 0.00 174.62 172.96 2ghf s ILE 148 N -2.33 4.34 -2.12 1.82 1.01 -1.26 0.76 121.20 123.42 2ghf s ILE 148 Ca 0.31 -1.14 0.19 0.00 0.00 0.00 0.00 60.65 60.01 2ghf s ILE 148 Cb -0.06 -3.21 0.48 0.00 0.01 0.00 0.00 42.46 39.68 2ghf s ILE 148 CO 0.20 -0.11 1.43 -0.46 0.00 0.00 0.00 174.94 176.01 2ghf n ASN 149 N -0.29 2.95 0.06 3.58 2.04 -1.23 -4.40 115.26 117.97 2ghf n ASN 149 Ca -0.09 -1.96 0.00 0.00 -0.44 0.00 0.00 54.58 52.09 2ghf n ASN 149 Cb 0.55 -0.32 0.00 0.00 -2.53 0.00 0.00 39.78 37.47 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 1.12 -0.82 -0.64 0.53 2.03 -1.26 -4.89 116.55 112.62 2ghf n ASP 150 Ca 0.19 0.21 0.01 0.00 0.52 0.00 0.00 54.79 55.72 2ghf n ASP 150 Cb 0.49 1.03 0.04 0.00 -0.72 0.00 0.00 41.12 41.96 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 -2.76 1.50 -0.08 -2.67 4.77 -1.26 -4.30 117.00 112.20 2ghf n LEU 151 Ca 0.00 -0.75 0.18 0.00 -0.03 0.00 0.00 56.01 55.41 2ghf n LEU 151 Cb 0.00 -0.51 0.61 0.00 -2.33 0.00 0.00 43.42 41.18 2ghf n LEU 151 CO 0.00 0.29 1.20 0.74 -1.33 0.00 0.00 177.39 178.29 2ghf h THR 152 N 0.43 0.76 -0.00 -5.08 2.02 -1.90 -3.47 112.91 105.66 2ghf h THR 152 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.12 2ghf h THR 152 Cb 0.65 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 2ghf h THR 152 CO 0.05 0.03 0.00 0.49 0.37 0.00 0.00 175.52 176.47