#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 3.96 -2.71 3.17 0.00 -1.26 -4.98 120.51 118.69 2ghf n ALA -7 Ca 0.00 -3.04 -0.33 0.00 0.00 0.00 0.00 53.44 50.07 2ghf n ALA -7 Cb 0.00 -0.66 -0.14 0.00 0.00 0.00 0.00 19.45 18.65 2ghf n ALA -7 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2ghf s HIS -6 N -3.18 2.71 -1.26 0.00 4.02 -1.26 -5.04 115.29 111.28 2ghf s HIS -6 Ca 0.43 -0.39 -0.15 0.00 1.02 0.00 0.00 55.06 55.97 2ghf s HIS -6 Cb 0.39 -1.70 0.13 0.00 -1.02 0.00 0.00 32.58 30.38 2ghf s HIS -6 CO -0.00 0.00 1.62 1.58 1.02 0.00 0.00 174.74 178.96 2ghf n HIS -5 N 2.80 4.63 -2.75 1.40 -0.00 -1.26 -4.97 115.22 115.07 2ghf n HIS -5 Ca -0.18 -3.11 -0.34 0.00 -0.00 0.00 0.00 57.72 54.09 2ghf n HIS -5 Cb 0.52 -2.35 -0.06 0.00 -0.00 0.00 0.00 29.99 28.11 2ghf n HIS -5 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2ghf s HIS -4 N 2.48 3.34 -0.09 1.57 5.65 -1.26 -4.98 115.29 121.99 2ghf s HIS -4 Ca 0.47 1.64 -0.30 0.00 0.25 0.00 0.00 55.06 57.13 2ghf s HIS -4 Cb 0.01 -2.92 -0.04 0.00 -1.18 0.00 0.00 32.58 28.46 2ghf s HIS -4 CO 0.03 -0.20 1.47 -1.58 -0.65 0.00 0.00 174.74 173.81 2ghf s HIS -3 N -1.99 2.43 0.73 3.88 5.65 -1.26 -4.98 115.29 119.75 2ghf s HIS -3 Ca 0.60 0.59 -0.11 0.00 0.25 0.00 0.00 55.06 56.39 2ghf s HIS -3 Cb -0.13 -3.72 0.03 0.00 -1.18 0.00 0.00 32.58 27.58 2ghf s HIS -3 CO 0.17 -2.82 1.09 -3.38 -0.65 0.00 0.00 174.74 169.15 2ghf s HIS -2 N 3.64 3.13 0.99 3.88 0.00 -1.26 -5.06 115.29 120.61 2ghf s HIS -2 Ca 0.65 1.16 -0.16 0.00 -3.00 0.00 0.00 55.06 53.71 2ghf s HIS -2 Cb -0.28 -3.03 0.20 0.00 -4.00 0.00 0.00 32.58 25.46 2ghf s HIS -2 CO 0.23 -1.37 1.23 -3.38 -1.00 0.00 0.00 174.74 170.45 2ghf s HIS -1 N -3.22 1.63 0.25 0.38 -0.00 -1.26 -4.99 115.29 108.08 2ghf s HIS -1 Ca 0.59 0.48 -0.30 0.00 -0.00 0.00 0.00 55.06 55.83 2ghf s HIS -1 Cb -0.13 -3.80 -0.10 0.00 -0.00 0.00 0.00 32.58 28.55 2ghf s HIS -1 CO 0.53 -2.79 1.43 1.21 -0.00 0.00 0.00 174.74 175.12 2ghf s ASN 60 N -4.51 6.67 -0.28 7.38 3.04 -1.26 -4.86 114.94 121.11 2ghf s ASN 60 Ca 0.71 2.66 -0.38 0.00 0.04 0.00 0.00 52.86 55.88 2ghf s ASN 60 Cb -0.07 -2.62 -0.14 0.00 -1.54 0.00 0.00 41.25 36.87 2ghf s ASN 60 CO 0.53 -0.68 1.90 0.00 -3.04 0.00 0.00 177.10 175.80 2ghf n GLN 61 N 2.26 1.22 -3.57 0.43 3.00 -1.26 -4.90 117.38 114.57 2ghf n GLN 61 Ca 0.06 0.42 -0.41 0.00 -0.01 0.00 0.00 57.00 57.07 2ghf n GLN 61 Cb 0.40 -2.24 -0.08 0.00 0.00 0.00 0.00 30.24 28.32 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 4.42 2.69 -0.18 -1.09 2.00 -1.26 -4.79 119.66 121.44 2ghf s GLN 62 Ca 1.02 -2.10 0.06 0.00 -2.00 0.00 0.00 55.36 52.34 2ghf s GLN 62 Cb -0.99 -3.95 -0.16 0.00 0.80 0.00 0.00 33.01 28.72 2ghf s GLN 62 CO 0.60 -1.20 -0.09 -1.71 -0.50 0.00 0.00 175.29 172.38 2ghf n ASN 63 N 4.34 1.93 -0.06 6.67 2.85 -1.26 -4.70 115.26 125.03 2ghf n ASN 63 Ca 0.00 -0.07 -0.13 0.00 -0.11 0.00 0.00 54.58 54.27 2ghf n ASN 63 Cb 0.41 0.13 -0.06 0.00 1.24 0.00 0.00 39.78 41.50 2ghf n ASN 63 CO 0.00 0.00 0.00 0.07 -2.11 0.00 0.00 177.26 175.22 2ghf h LYS 64 N 0.00 0.47 0.00 1.20 2.10 -2.01 -3.46 116.57 114.86 2ghf h LYS 64 Ca -0.44 -0.25 0.00 0.00 -2.00 0.00 0.00 60.65 57.95 2ghf h LYS 64 Cb 1.80 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 33.15 2ghf h LYS 64 CO -0.03 0.83 0.00 0.36 -2.00 0.00 0.00 179.45 178.61 2ghf n LYS 65 N -4.45 0.00 -3.30 0.07 -0.00 -1.26 -4.25 118.16 104.96 2ghf n LYS 65 Ca -0.06 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.28 2ghf n LYS 65 Cb 0.41 -0.18 -0.04 0.00 -0.00 0.00 0.00 35.03 35.22 2ghf n LYS 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2ghf s VAL 66 N 0.00 -0.10 0.00 0.58 0.11 -1.26 -4.88 120.40 114.84 2ghf s VAL 66 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 2ghf s VAL 66 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 2ghf s VAL 66 CO 0.00 0.00 0.00 -0.62 -3.33 0.00 0.00 175.10 171.15 2ghf n GLU 67 N 4.33 0.00 0.00 1.54 1.02 -1.26 -4.97 120.64 121.30 2ghf n GLU 67 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 2ghf n GLU 67 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.97 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 2.54 -1.63 0.00 0.62 0.00 -1.26 -4.96 105.19 100.49 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 6.48 3.36 -0.02 0.00 -1.26 -4.67 105.19 109.08 2ghf n GLY 69 Ca 0.00 -2.00 -0.36 0.00 0.00 0.00 0.00 46.02 43.66 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 1.32 3.07 0.08 1.61 2.02 0.63 -4.79 117.35 121.30 2ghf s TYR 70 Ca 0.00 -0.81 -0.13 0.00 -0.37 0.00 0.00 57.07 55.76 2ghf s TYR 70 Cb 0.00 -2.20 -0.06 0.00 -0.40 0.00 0.00 41.96 39.30 2ghf s TYR 70 CO 0.00 -0.50 0.46 -2.00 -1.57 0.00 0.00 175.55 171.94 2ghf s GLU 71 N 1.52 3.89 -0.03 -0.62 2.12 -1.26 -1.68 118.70 122.65 2ghf s GLU 71 Ca 0.05 0.36 -0.19 0.00 0.36 0.00 0.00 54.97 55.54 2ghf s GLU 71 Cb -0.16 -3.03 -0.05 0.00 0.26 0.00 0.00 34.13 31.15 2ghf s GLU 71 CO 0.01 0.56 0.55 0.00 -0.54 0.00 0.00 175.26 175.84 2ghf h LYS 73 N 5.71 0.00 -0.26 0.00 3.64 -0.55 -0.96 116.57 124.15 2ghf h LYS 73 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2ghf h LYS 73 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 2ghf h LYS 73 CO 0.70 0.00 0.00 2.48 -2.27 0.00 0.00 179.45 180.36 2ghf n TYR 74 N -3.26 0.34 -3.29 1.91 0.18 -1.26 -4.61 117.16 107.17 2ghf n TYR 74 Ca -0.02 -0.33 0.03 0.00 1.88 0.00 0.00 57.90 59.46 2ghf n TYR 74 Cb 0.19 -0.02 -0.02 0.00 -0.38 0.00 0.00 39.34 39.11 2ghf n TYR 74 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2ghf n THR 76 N 5.38 3.77 -3.76 0.00 -1.04 -1.25 -2.68 114.28 114.70 2ghf n THR 76 Ca -0.06 -2.78 -0.29 0.00 -2.04 0.00 0.00 64.05 58.88 2ghf n THR 76 Cb 0.51 -2.60 -0.16 0.00 -1.82 0.00 0.00 70.33 66.26 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 2.80 1.42 -0.04 -1.42 0.40 -1.26 -5.05 117.98 114.83 2ghf s PHE 77 Ca 0.57 -1.24 0.00 0.00 -0.60 0.00 0.00 56.93 55.65 2ghf s PHE 77 Cb 0.16 -1.30 -0.03 0.00 0.51 0.00 0.00 43.02 42.35 2ghf s PHE 77 CO -0.07 -0.72 -0.01 -1.14 0.70 0.00 0.00 175.22 173.98 2ghf s GLN 78 N 1.72 2.84 -0.06 0.44 0.74 -1.26 -4.19 119.66 119.90 2ghf s GLN 78 Ca 0.01 -0.54 -0.02 0.00 0.05 0.00 0.00 55.36 54.87 2ghf s GLN 78 Cb -0.17 -2.70 0.04 0.00 1.10 0.00 0.00 33.01 31.28 2ghf s GLN 78 CO -0.13 0.66 0.11 -0.08 -0.55 0.00 0.00 175.29 175.29 2ghf s THR 79 N -0.98 -0.12 -2.00 -0.34 -1.32 -0.67 -4.87 115.64 105.33 2ghf s THR 79 Ca 0.16 0.29 0.15 0.00 -1.21 0.00 0.00 61.69 61.08 2ghf s THR 79 Cb -0.11 -0.20 0.42 0.00 -1.51 0.00 0.00 72.50 71.10 2ghf s THR 79 CO 0.06 0.12 1.31 -0.81 -2.21 0.00 0.00 174.62 173.09 2ghf n PRO 80 N 4.73 0.54 -3.34 7.08 -0.04 -1.26 -0.27 135.00 142.44 2ghf n PRO 80 Ca -0.16 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 62.90 2ghf n PRO 80 Cb 0.50 -1.43 -0.09 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.92 6.30 0.17 3.54 2.15 -1.26 -4.81 116.67 120.84 2ghf s ASP 81 Ca 0.22 0.31 -0.12 0.00 0.43 0.00 0.00 52.55 53.39 2ghf s ASP 81 Cb 0.10 -2.23 0.07 0.00 -0.30 0.00 0.00 42.92 40.56 2ghf s ASP 81 CO 0.17 -0.23 1.74 0.25 -0.17 0.00 0.00 175.17 176.93 2ghf h LEU 82 N 8.68 0.77 -0.15 -1.34 7.12 -1.97 0.27 115.31 128.68 2ghf h LEU 82 Ca -0.31 -0.15 0.00 0.00 0.13 0.00 0.00 57.88 57.55 2ghf h LEU 82 Cb 1.15 -0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 41.08 2ghf h LEU 82 CO 0.67 0.71 0.10 -1.13 -0.13 0.00 0.00 178.44 178.66 2ghf h ASN 83 N 0.79 0.18 0.09 1.25 -1.24 -1.96 0.34 115.58 115.02 2ghf h ASN 83 Ca 0.20 -0.02 -0.09 0.00 0.71 0.00 0.00 56.30 57.10 2ghf h ASN 83 Cb 0.16 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.15 2ghf h ASN 83 CO -0.02 0.14 -0.30 0.24 -1.29 0.00 0.00 177.43 176.20 2ghf h MET 84 N 0.20 0.32 0.56 6.67 2.86 -1.90 0.39 114.93 124.02 2ghf h MET 84 Ca 0.06 -0.12 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 2ghf h MET 84 Cb -0.01 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 31.64 2ghf h MET 84 CO -0.01 0.59 -0.27 0.35 1.06 0.00 0.00 176.91 178.63 2ghf h PHE 85 N 0.28 -0.70 0.00 -0.22 3.57 0.44 -1.38 116.94 118.94 2ghf h PHE 85 Ca 0.04 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.44 2ghf h PHE 85 Cb 0.68 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 2ghf h PHE 85 CO 0.01 -0.40 -0.38 0.00 -2.23 0.00 0.00 178.31 175.32 2ghf h THR 86 N -0.84 0.92 0.48 4.41 1.03 -0.04 -1.34 112.91 117.52 2ghf h THR 86 Ca -0.08 -1.51 -0.02 0.00 -0.01 0.00 0.00 66.41 64.79 2ghf h THR 86 Cb 0.61 1.91 0.00 0.00 -1.07 0.00 0.00 68.15 69.61 2ghf h THR 86 CO 0.13 0.37 -0.23 0.15 -0.01 0.00 0.00 175.52 175.93 2ghf h PHE 87 N 0.00 -0.59 0.00 0.00 3.57 -0.17 0.23 116.94 119.97 2ghf h PHE 87 Ca -0.00 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.39 2ghf h PHE 87 Cb 0.88 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 2ghf h PHE 87 CO 0.00 -0.27 -0.42 1.12 -2.23 0.00 0.00 178.31 176.50 2ghf h HIS 88 N -0.90 0.00 0.49 0.41 2.07 -1.13 -1.68 115.15 114.41 2ghf h HIS 88 Ca -0.07 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.43 2ghf h HIS 88 Cb 0.59 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.57 2ghf h HIS 88 CO 0.00 0.42 -0.24 0.28 -3.07 0.00 0.00 177.93 175.33 2ghf h VAL 89 N 0.00 0.28 0.00 6.12 2.07 -1.15 0.63 116.25 124.20 2ghf h VAL 89 Ca -0.00 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.02 2ghf h VAL 89 Cb 0.77 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2ghf h VAL 89 CO 0.05 0.05 0.00 -0.78 0.02 0.00 0.00 177.57 176.91 2ghf h ASP 90 N -1.05 0.00 0.00 0.57 3.58 -0.42 0.35 116.42 119.45 2ghf h ASP 90 Ca -0.07 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.25 2ghf h ASP 90 Cb 0.59 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.62 2ghf h ASP 90 CO 0.11 0.00 -0.73 -1.28 -2.88 0.00 0.00 179.24 174.46 2ghf h SER 91 N 0.00 0.00 0.02 2.28 0.87 -1.30 -3.39 113.55 112.03 2ghf h SER 91 Ca 0.00 -0.68 -0.40 0.00 -1.23 0.00 0.00 61.79 59.48 2ghf h SER 91 Cb 0.29 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.19 2ghf h SER 91 CO 0.00 1.27 -2.31 -0.62 -0.53 0.00 0.00 176.83 174.64 2ghf n GLU 92 N -4.51 0.63 -3.19 2.24 -0.58 0.21 -4.71 120.64 110.73 2ghf n GLU 92 Ca -0.22 0.25 -0.23 0.00 -0.42 0.00 0.00 57.16 56.54 2ghf n GLU 92 Cb 0.58 -1.56 -0.05 0.00 -0.57 0.00 0.00 31.44 29.84 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 -3.78 1.20 0.21 -0.32 1.44 0.11 -4.91 115.22 109.17 2ghf n HIS 93 Ca -0.46 -3.81 0.09 0.00 -2.01 0.00 0.00 57.72 51.53 2ghf n HIS 93 Cb 0.93 -0.43 0.40 0.00 0.12 0.00 0.00 29.99 31.00 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 3.57 0.00 -3.08 -1.40 0.13 -1.44 -3.41 132.00 126.36 2ghf h PRO 94 Ca 0.11 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.95 2ghf h PRO 94 Cb 0.81 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.59 2ghf h PRO 94 CO 0.60 0.23 -0.63 1.21 -0.23 0.00 0.00 178.00 179.18 2ghf s ASN 95 N -6.20 0.71 -0.00 1.44 3.84 -1.26 -4.81 114.94 108.65 2ghf s ASN 95 Ca 0.01 0.34 -0.01 0.00 0.21 0.00 0.00 52.86 53.42 2ghf s ASN 95 Cb 0.09 0.29 -0.00 0.00 -0.55 0.00 0.00 41.25 41.08 2ghf s ASN 95 CO 0.65 -0.24 0.02 -0.69 -2.79 0.00 0.00 177.10 174.05 2ghf s VAL 96 N 2.26 0.04 -0.09 -5.21 1.01 -1.26 -5.06 120.40 112.09 2ghf s VAL 96 Ca 0.03 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.73 2ghf s VAL 96 Cb -0.12 -0.13 0.02 0.00 0.00 0.00 0.00 36.38 36.14 2ghf s VAL 96 CO -0.06 -0.16 -0.12 0.54 0.00 0.00 0.00 175.10 175.29 2ghf s VAL 97 N -0.49 1.24 0.08 2.92 0.11 -1.26 -4.11 120.40 118.89 2ghf s VAL 97 Ca -0.05 -0.50 -0.22 0.00 -2.93 0.00 0.00 61.98 58.27 2ghf s VAL 97 Cb -0.03 -1.15 0.06 0.00 -1.53 0.00 0.00 36.38 33.72 2ghf s VAL 97 CO -0.00 0.39 0.54 -0.22 -3.33 0.00 0.00 175.10 172.47 2ghf s LEU 98 N 0.93 -0.18 0.00 2.54 2.96 -1.26 -5.08 118.68 118.59 2ghf s LEU 98 Ca -0.09 0.10 0.00 0.00 -0.22 0.00 0.00 54.13 53.92 2ghf s LEU 98 Cb -0.15 2.25 0.00 0.00 0.50 0.00 0.00 46.19 48.79 2ghf s LEU 98 CO 0.00 -0.80 0.23 0.59 -1.32 0.00 0.00 176.35 175.05 2ghf n ASN 99 N 0.14 0.00 -4.11 3.68 4.13 -1.26 -4.74 115.26 113.10 2ghf n ASN 99 Ca -0.18 0.23 -0.25 0.00 1.68 0.00 0.00 54.58 56.07 2ghf n ASN 99 Cb 0.62 0.00 -0.16 0.00 -1.54 0.00 0.00 39.78 38.70 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 -2.75 1.98 0.29 6.41 1.04 -1.26 -4.65 113.70 114.77 2ghf s SER 100 Ca 0.00 -0.32 -0.20 0.00 0.48 0.00 0.00 55.95 55.91 2ghf s SER 100 Cb 0.00 -0.56 0.03 0.00 0.10 0.00 0.00 66.02 65.59 2ghf s SER 100 CO 0.00 0.13 0.74 -0.55 0.98 0.00 0.00 173.24 174.55 2ghf s SER 101 N 0.08 -0.21 -0.01 7.02 0.15 -1.26 -5.05 113.70 114.43 2ghf s SER 101 Ca -0.04 -0.70 0.08 0.00 0.70 0.00 0.00 55.95 55.99 2ghf s SER 101 Cb -0.11 0.74 -0.02 0.00 -1.71 0.00 0.00 66.02 64.92 2ghf s SER 101 CO 0.02 -1.39 -0.26 -0.31 1.20 0.00 0.00 173.24 172.50 2ghf s TYR 102 N -3.59 2.30 0.02 3.44 1.51 -1.26 -0.66 117.35 119.11 2ghf s TYR 102 Ca 0.12 -0.43 0.03 0.00 -1.01 0.00 0.00 57.07 55.78 2ghf s TYR 102 Cb -0.06 -1.46 -0.01 0.00 -0.11 0.00 0.00 41.96 40.32 2ghf s TYR 102 CO 0.08 -0.00 -0.09 0.54 -1.11 0.00 0.00 175.55 174.96 2ghf s VAL 103 N -0.65 0.68 -0.59 0.71 0.11 -0.32 -2.71 120.40 117.64 2ghf s VAL 103 Ca 0.10 -0.66 -0.25 0.00 -2.93 0.00 0.00 61.98 58.24 2ghf s VAL 103 Cb -0.10 -0.63 0.04 0.00 -1.53 0.00 0.00 36.38 34.17 2ghf s VAL 103 CO -0.00 -0.01 1.03 0.00 -3.33 0.00 0.00 175.10 172.78 2ghf h VAL 105 N 6.04 0.79 -0.51 0.00 2.07 -1.76 1.14 116.25 124.01 2ghf h VAL 105 Ca -0.26 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 2ghf h VAL 105 Cb 1.07 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 2ghf h VAL 105 CO 1.14 0.00 0.04 -0.33 0.02 0.00 0.00 177.57 178.44 2ghf h GLU 106 N 0.00 0.83 0.00 1.57 4.39 -1.90 -3.03 114.58 116.45 2ghf h GLU 106 Ca 0.13 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.62 2ghf h GLU 106 Cb 0.53 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2ghf h GLU 106 CO -0.00 0.81 -0.87 0.00 -1.16 0.00 0.00 179.01 177.79 2ghf n ASN 108 N -1.46 -1.46 -4.00 0.00 5.03 0.38 -4.99 115.26 108.76 2ghf n ASN 108 Ca 0.02 -0.88 -0.27 0.00 0.87 0.00 0.00 54.58 54.32 2ghf n ASN 108 Cb 0.26 -3.79 -0.17 0.00 -1.02 0.00 0.00 39.78 35.06 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 1.73 -0.09 3.10 -0.12 -1.09 -4.93 117.98 112.87 2ghf s PHE 109 Ca 0.06 -0.82 -0.13 0.00 -0.05 0.00 0.00 56.93 55.98 2ghf s PHE 109 Cb -0.02 -1.31 -0.05 0.00 -0.63 0.00 0.00 43.02 41.02 2ghf s PHE 109 CO 0.83 -0.47 0.32 -0.51 -0.05 0.00 0.00 175.22 175.34 2ghf s LEU 110 N 1.20 4.36 0.16 -1.99 1.43 -1.26 -1.67 118.68 120.91 2ghf s LEU 110 Ca -0.03 0.69 0.09 0.00 -1.03 0.00 0.00 54.13 53.85 2ghf s LEU 110 Cb -0.14 -2.41 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 2ghf s LEU 110 CO -0.04 0.24 -0.21 0.28 0.23 0.00 0.00 176.35 176.85 2ghf s THR 111 N -0.41 1.98 0.09 5.49 -1.32 -1.10 0.16 115.64 120.54 2ghf s THR 111 Ca 0.19 -1.86 0.33 0.00 -1.21 0.00 0.00 61.69 59.14 2ghf s THR 111 Cb -0.14 -1.88 0.38 0.00 -1.51 0.00 0.00 72.50 69.35 2ghf s THR 111 CO 0.08 -0.17 1.97 0.11 -2.21 0.00 0.00 174.62 174.39 2ghf h LYS 112 N 3.46 0.00 -5.33 7.08 1.57 -1.81 -3.41 116.57 118.12 2ghf h LYS 112 Ca -0.45 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 57.85 2ghf h LYS 112 Cb 1.20 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 33.22 2ghf h LYS 112 CO 0.47 0.01 -0.81 -0.98 -0.57 0.00 0.00 179.45 177.57 2ghf s ARG 113 N -3.66 1.13 0.58 3.15 3.03 -1.26 -5.01 118.95 116.91 2ghf s ARG 113 Ca 0.01 -0.55 0.32 0.00 2.03 0.00 0.00 55.73 57.53 2ghf s ARG 113 Cb 0.09 -1.10 1.80 0.00 -1.03 0.00 0.00 34.95 34.71 2ghf s ARG 113 CO 0.55 0.30 2.22 0.10 -1.13 0.00 0.00 175.30 177.34 2ghf h TYR 114 N 5.65 0.00 -0.60 5.89 -0.00 -1.93 -2.84 116.97 123.14 2ghf h TYR 114 Ca -0.35 0.00 0.12 0.00 -0.00 0.00 0.00 58.73 58.50 2ghf h TYR 114 Cb 1.16 0.00 -0.09 0.00 -0.00 0.00 0.00 36.73 37.80 2ghf h TYR 114 CO 0.42 0.04 0.06 -0.44 -0.00 0.00 0.00 178.16 178.24 2ghf h ASP 115 N 0.00 -0.13 -0.04 0.10 5.19 -1.97 -2.26 116.42 117.30 2ghf h ASP 115 Ca -0.00 0.13 0.01 0.00 -0.62 0.00 0.00 57.03 56.55 2ghf h ASP 115 Cb 0.11 0.21 -0.00 0.00 0.18 0.00 0.00 39.33 39.83 2ghf h ASP 115 CO 0.00 -0.05 0.11 0.00 -3.12 0.00 0.00 179.24 176.18 2ghf h ALA 116 N 1.51 1.32 0.12 3.45 0.00 -1.87 0.35 119.26 124.14 2ghf h ALA 116 Ca 0.31 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.91 2ghf h ALA 116 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2ghf h ALA 116 CO -0.46 -0.13 -1.55 -0.07 0.00 0.00 0.00 179.25 177.04 2ghf h LEU 117 N 0.00 0.41 -0.10 0.00 -0.00 -1.62 -2.37 115.31 111.63 2ghf h LEU 117 Ca 0.02 -0.57 -0.16 0.00 -0.00 0.00 0.00 57.88 57.17 2ghf h LEU 117 Cb 0.23 -0.13 0.01 0.00 -0.00 0.00 0.00 40.66 40.77 2ghf h LEU 117 CO -0.00 1.48 -0.56 0.28 -0.00 0.00 0.00 178.44 179.64 2ghf h SER 118 N 0.07 0.66 1.84 -0.43 0.02 -0.40 -2.96 113.55 112.35 2ghf h SER 118 Ca -0.25 -0.65 0.00 0.00 -0.84 0.00 0.00 61.79 60.05 2ghf h SER 118 Cb 2.02 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 64.37 2ghf h SER 118 CO 0.16 1.21 0.00 -0.33 -1.14 0.00 0.00 176.83 176.73 2ghf h GLU 119 N 0.17 0.00 -0.10 3.45 5.08 -0.95 -3.37 114.58 118.86 2ghf h GLU 119 Ca -0.04 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2ghf h GLU 119 Cb 1.20 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.39 2ghf h GLU 119 CO 0.11 0.00 -0.51 1.25 -1.00 0.00 0.00 179.01 178.86 2ghf h HIS 120 N 0.00 -1.52 0.00 4.33 2.76 -1.24 0.30 115.15 119.78 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 0.92 0.68 0.00 0.00 1.55 0.00 0.00 27.41 30.55 2ghf h HIS 120 CO 0.00 -0.54 0.00 -2.95 -1.30 0.00 0.00 177.93 173.14 2ghf h ASN 121 N -0.59 0.00 0.09 3.26 -1.07 -1.71 0.84 115.58 116.39 2ghf h ASN 121 Ca 0.04 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.40 2ghf h ASN 121 Cb 0.68 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.93 2ghf h ASN 121 CO -0.41 0.00 -0.04 0.25 0.07 0.00 0.00 177.43 177.30 2ghf h LEU 122 N 0.00 -0.10 0.00 6.14 5.85 -1.12 -2.93 115.31 123.15 2ghf h LEU 122 Ca 0.00 -0.47 -0.27 0.00 0.84 0.00 0.00 57.88 57.99 2ghf h LEU 122 Cb 0.31 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 2ghf h LEU 122 CO 0.00 0.55 -2.00 2.29 -0.34 0.00 0.00 178.44 178.94 2ghf n LYS 123 N -4.82 0.43 -0.06 1.25 2.85 0.84 -4.31 118.16 114.33 2ghf n LYS 123 Ca -0.07 0.11 -0.07 0.00 -1.05 0.00 0.00 58.31 57.23 2ghf n LYS 123 Cb 0.28 -1.32 -0.06 0.00 -0.65 0.00 0.00 35.03 33.28 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 -0.11 0.00 -2.41 5.58 -1.99 0.23 -3.39 116.97 114.88 2ghf h TYR 124 Ca -0.40 0.00 -0.66 0.00 2.00 0.00 0.00 58.73 59.67 2ghf h TYR 124 Cb 1.57 0.00 -0.38 0.00 2.00 0.00 0.00 36.73 39.92 2ghf h TYR 124 CO 0.01 0.51 -0.21 0.72 -0.00 0.00 0.00 178.16 179.19 2ghf n HIS 125 N -4.68 3.28 -2.33 4.88 8.25 0.19 -4.95 115.22 119.87 2ghf n HIS 125 Ca -0.07 -3.72 -0.33 0.00 -0.26 0.00 0.00 57.72 53.34 2ghf n HIS 125 Cb 0.26 -0.76 -0.02 0.00 1.12 0.00 0.00 29.99 30.60 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 3.60 0.00 -0.41 0.04 -1.11 -4.27 135.00 130.29 2ghf s PRO 126 Ca 0.37 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.70 2ghf s PRO 126 Cb 0.12 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.59 2ghf s PRO 126 CO 0.02 -0.59 0.00 0.41 0.04 0.00 0.00 177.00 176.88 2ghf n GLY 127 N -0.59 3.62 3.72 0.56 0.00 -1.26 -5.02 105.19 106.23 2ghf n GLY 127 Ca 0.09 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.49 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 1.95 -0.37 1.61 4.04 -1.26 -5.13 118.70 119.54 2ghf s GLU 128 Ca 0.00 -1.36 0.00 0.00 0.04 0.00 0.00 54.97 53.66 2ghf s GLU 128 Cb 0.00 0.56 0.14 0.00 0.02 0.00 0.00 34.13 34.85 2ghf s GLU 128 CO 0.00 -0.88 0.21 -2.00 -1.84 0.00 0.00 175.26 170.76 2ghf s GLU 129 N -3.14 0.75 -0.35 -4.83 2.12 -1.26 -4.69 118.70 107.30 2ghf s GLU 129 Ca 0.18 -1.48 0.05 0.00 0.36 0.00 0.00 54.97 54.08 2ghf s GLU 129 Cb -0.04 -1.62 0.17 0.00 0.26 0.00 0.00 34.13 32.91 2ghf s GLU 129 CO 0.12 -1.18 0.50 -0.80 -0.54 0.00 0.00 175.26 173.35 2ghf s ASN 130 N 0.93 -0.32 0.09 -1.70 0.01 -1.26 -5.15 114.94 107.54 2ghf s ASN 130 Ca 0.17 -0.73 0.02 0.00 -0.71 0.00 0.00 52.86 51.61 2ghf s ASN 130 Cb -0.23 1.37 -0.04 0.00 0.41 0.00 0.00 41.25 42.76 2ghf s ASN 130 CO -0.02 -0.26 0.15 -0.36 -1.51 0.00 0.00 177.10 175.10 2ghf s PHE 131 N 2.08 3.33 0.34 2.20 0.08 -1.26 -3.61 117.98 121.14 2ghf s PHE 131 Ca 0.14 0.13 0.09 0.00 0.12 0.00 0.00 56.93 57.41 2ghf s PHE 131 Cb -0.10 -1.66 -0.06 0.00 -0.57 0.00 0.00 43.02 40.63 2ghf s PHE 131 CO -0.15 0.55 -0.02 -1.59 -0.10 0.00 0.00 175.22 173.90 2ghf s LYS 132 N -2.60 2.01 -0.04 0.44 -2.85 0.23 -4.95 119.74 111.97 2ghf s LYS 132 Ca 0.32 -1.80 0.04 0.00 -1.00 0.00 0.00 55.97 53.54 2ghf s LYS 132 Cb -0.12 -1.87 -0.00 0.00 -2.06 0.00 0.00 37.83 33.78 2ghf s LYS 132 CO 0.25 0.14 -0.16 -0.48 0.10 0.00 0.00 175.35 175.20 2ghf s LEU 133 N -3.68 1.90 -0.08 2.77 2.34 -1.26 -1.17 118.68 119.49 2ghf s LEU 133 Ca 0.34 -0.34 -0.03 0.00 0.06 0.00 0.00 54.13 54.16 2ghf s LEU 133 Cb 0.00 -0.94 0.04 0.00 -0.56 0.00 0.00 46.19 44.74 2ghf s LEU 133 CO 0.19 0.14 0.16 0.28 -1.06 0.00 0.00 176.35 176.05 2ghf s THR 134 N 0.09 -0.20 -0.49 5.48 -1.32 0.13 -4.98 115.64 114.35 2ghf s THR 134 Ca -0.05 0.30 -0.17 0.00 -1.21 0.00 0.00 61.69 60.57 2ghf s THR 134 Cb -0.12 -0.28 0.07 0.00 -1.51 0.00 0.00 72.50 70.66 2ghf s THR 134 CO 0.02 0.13 0.47 -0.32 -2.21 0.00 0.00 174.62 172.71 2ghf s MET 135 N 1.97 3.02 -0.24 7.08 0.00 -1.26 0.36 119.30 130.22 2ghf s MET 135 Ca -0.01 -1.24 -0.02 0.00 0.00 0.00 0.00 55.69 54.43 2ghf s MET 135 Cb -0.12 -4.13 0.13 0.00 0.00 0.00 0.00 34.83 30.71 2ghf s MET 135 CO -0.06 -1.10 0.33 0.14 0.00 0.00 0.00 175.02 174.33 2ghf s VAL 136 N 1.93 -0.51 -0.09 10.11 -7.23 -1.22 -4.94 120.40 118.45 2ghf s VAL 136 Ca 0.07 -0.16 -0.03 0.00 -1.81 0.00 0.00 61.98 60.05 2ghf s VAL 136 Cb -0.23 -0.82 0.04 0.00 0.56 0.00 0.00 36.38 35.93 2ghf s VAL 136 CO 0.08 -0.21 0.06 -0.75 -0.31 0.00 0.00 175.10 173.97 2ghf s LYS 137 N 2.47 0.07 0.04 4.82 2.47 -1.26 -4.79 119.74 123.55 2ghf s LYS 137 Ca 0.11 0.18 0.03 0.00 -1.56 0.00 0.00 55.97 54.73 2ghf s LYS 137 Cb -0.15 -1.01 -0.04 0.00 -1.46 0.00 0.00 37.83 35.17 2ghf s LYS 137 CO -0.19 -0.44 -0.02 1.03 0.16 0.00 0.00 175.35 175.90 2ghf s ARG 138 N 2.12 2.63 -1.44 4.03 3.00 -1.26 -4.12 118.95 123.92 2ghf s ARG 138 Ca 0.04 -0.73 0.00 0.00 0.00 0.00 0.00 55.73 55.04 2ghf s ARG 138 Cb -0.13 -2.58 0.00 0.00 0.00 0.00 0.00 34.95 32.24 2ghf s ARG 138 CO -0.05 0.59 0.00 -1.71 0.00 0.00 0.00 175.30 174.12 2ghf n ASN 139 N 1.10 -4.88 0.00 0.23 4.05 -1.26 -4.75 115.26 109.74 2ghf n ASN 139 Ca -0.13 0.03 0.00 0.00 0.45 0.00 0.00 54.58 54.93 2ghf n ASN 139 Cb 0.52 -3.97 0.00 0.00 1.23 0.00 0.00 39.78 37.56 2ghf n ASN 139 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 2ghf n ASN 140 N -1.08 0.00 -3.65 1.20 3.02 -1.26 -4.53 115.26 108.96 2ghf n ASN 140 Ca -0.19 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.29 2ghf n ASN 140 Cb 0.64 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.79 2ghf n ASN 140 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ghf s GLN 141 N 0.00 1.28 -0.41 3.52 0.00 -1.26 -4.35 119.66 118.44 2ghf s GLN 141 Ca 0.00 -0.62 -0.19 0.00 -0.00 0.00 0.00 55.36 54.55 2ghf s GLN 141 Cb 0.00 0.49 0.02 0.00 0.00 0.00 0.00 33.01 33.52 2ghf s GLN 141 CO 0.00 -0.58 0.53 0.95 0.00 0.00 0.00 175.29 176.19 2ghf s THR 142 N -3.51 4.97 0.13 3.63 -4.23 -1.26 -4.35 115.64 111.03 2ghf s THR 142 Ca 0.08 -0.02 0.05 0.00 -1.18 0.00 0.00 61.69 60.62 2ghf s THR 142 Cb -0.02 -4.08 -0.04 0.00 1.34 0.00 0.00 72.50 69.69 2ghf s THR 142 CO -0.02 -0.44 -0.12 0.27 -0.54 0.00 0.00 174.62 173.77 2ghf s ILE 143 N 2.45 1.22 -0.20 2.99 -5.25 -1.26 -4.71 121.20 116.44 2ghf s ILE 143 Ca 0.18 -1.80 -0.22 0.00 -0.99 0.00 0.00 60.65 57.81 2ghf s ILE 143 Cb -0.16 -1.59 -0.02 0.00 2.95 0.00 0.00 42.46 43.64 2ghf s ILE 143 CO 0.16 -0.54 0.68 -0.36 -1.79 0.00 0.00 174.94 173.09 2ghf s PHE 144 N -2.53 3.36 -0.03 1.37 0.08 0.17 -3.44 117.98 116.96 2ghf s PHE 144 Ca 0.11 0.98 -0.14 0.00 0.12 0.00 0.00 56.93 58.00 2ghf s PHE 144 Cb -0.02 -2.86 -0.05 0.00 -0.57 0.00 0.00 43.02 39.51 2ghf s PHE 144 CO 0.02 -0.22 0.37 -1.21 -0.10 0.00 0.00 175.22 174.07 2ghf s GLU 145 N 2.10 3.88 -0.24 0.44 2.02 0.16 -1.17 118.70 125.89 2ghf s GLU 145 Ca 0.30 0.32 0.01 0.00 0.02 0.00 0.00 54.97 55.63 2ghf s GLU 145 Cb -0.16 -3.23 0.04 0.00 0.10 0.00 0.00 34.13 30.88 2ghf s GLU 145 CO 0.10 0.67 -0.12 -1.14 0.02 0.00 0.00 175.26 174.79 2ghf s GLN 146 N -0.95 2.59 0.27 1.61 0.74 0.20 0.20 119.66 124.32 2ghf s GLN 146 Ca 0.22 -1.12 0.09 0.00 0.05 0.00 0.00 55.36 54.61 2ghf s GLN 146 Cb -0.16 -2.84 -0.04 0.00 1.10 0.00 0.00 33.01 31.07 2ghf s GLN 146 CO 0.12 -0.43 0.02 0.99 -0.55 0.00 0.00 175.29 175.43 2ghf s THR 147 N 1.21 3.52 0.17 -0.34 2.01 -0.32 -2.17 115.64 119.73 2ghf s THR 147 Ca -0.03 -1.86 0.06 0.00 0.31 0.00 0.00 61.69 60.17 2ghf s THR 147 Cb -0.17 -2.90 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 2ghf s THR 147 CO -0.07 -0.37 0.07 -0.63 -0.69 0.00 0.00 174.62 172.93 2ghf s ILE 148 N -2.31 4.08 -1.70 1.82 1.01 -1.26 0.76 121.20 123.60 2ghf s ILE 148 Ca 0.32 -1.28 0.21 0.00 0.00 0.00 0.00 60.65 59.90 2ghf s ILE 148 Cb -0.06 -3.08 0.65 0.00 0.01 0.00 0.00 42.46 39.98 2ghf s ILE 148 CO 0.20 -0.12 1.55 -0.46 0.00 0.00 0.00 174.94 176.11 2ghf n ASN 149 N -0.27 4.11 0.16 3.58 2.04 -1.24 -4.39 115.26 119.25 2ghf n ASN 149 Ca -0.09 -2.12 0.00 0.00 -0.44 0.00 0.00 54.58 51.94 2ghf n ASN 149 Cb 0.55 -0.50 0.00 0.00 -2.53 0.00 0.00 39.78 37.30 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 1.45 -1.96 -0.52 0.53 -0.08 -1.26 -4.87 116.55 109.83 2ghf n ASP 150 Ca 0.24 0.58 0.00 0.00 -1.51 0.00 0.00 54.79 54.10 2ghf n ASP 150 Cb 0.68 1.96 0.00 0.00 2.34 0.00 0.00 41.12 46.10 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 -3.27 1.08 0.25 -2.67 4.77 -1.26 -3.97 117.00 111.93 2ghf n LEU 151 Ca 0.00 -0.54 0.08 0.00 -0.03 0.00 0.00 56.01 55.52 2ghf n LEU 151 Cb 0.00 -0.50 0.62 0.00 -2.33 0.00 0.00 43.42 41.21 2ghf n LEU 151 CO 0.00 0.26 1.05 0.74 -1.33 0.00 0.00 177.39 178.11 2ghf h THR 152 N 0.00 1.02 -0.01 -5.08 2.02 -1.90 -3.47 112.91 105.49 2ghf h THR 152 Ca 0.00 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.09 2ghf h THR 152 Cb 0.52 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 2ghf h THR 152 CO 0.00 0.03 0.00 0.49 0.37 0.00 0.00 175.52 176.41