#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ghq s ILE 2 N 0.00 4.94 0.17 0.00 1.01 -1.26 -5.08 121.20 120.98 1ghq s ILE 2 Ca 0.00 -0.46 0.07 0.00 0.00 0.00 0.00 60.65 60.26 1ghq s ILE 2 Cb 0.00 -3.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.09 1ghq s ILE 2 CO 0.00 0.24 -0.15 -0.94 0.00 0.00 0.00 174.94 174.09 1ghq s SER 3 N -2.12 2.40 -0.08 3.58 1.04 -1.26 -2.69 113.70 114.57 1ghq s SER 3 Ca 0.28 -0.93 -0.03 0.00 0.48 0.00 0.00 55.95 55.75 1ghq s SER 3 Cb -0.12 -0.12 -0.04 0.00 0.10 0.00 0.00 66.02 65.85 1ghq s SER 3 CO 0.20 -0.15 0.04 0.00 0.98 0.00 0.00 173.24 174.32 1ghq n GLY 5 N 1.92 -1.87 3.66 0.00 0.00 -1.26 -4.36 105.19 103.28 1ghq n GLY 5 Ca -0.18 -1.59 -0.50 0.00 0.00 0.00 0.00 46.02 43.76 1ghq n GLY 5 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ghq n SER 6 N -3.57 2.75 -4.73 1.61 7.64 -1.26 -4.92 113.62 111.15 1ghq n SER 6 Ca 0.07 1.06 -0.31 0.00 1.01 0.00 0.00 58.87 60.70 1ghq n SER 6 Cb 0.25 -1.32 0.12 0.00 -1.01 0.00 0.00 64.21 62.26 1ghq n SER 6 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1ghq s PRO 7 N 2.01 1.77 0.35 1.43 0.04 -1.26 -4.97 135.00 134.37 1ghq s PRO 7 Ca 0.87 1.33 -0.28 0.00 0.04 0.00 0.00 61.00 62.95 1ghq s PRO 7 Cb -0.80 -1.83 -0.11 0.00 0.04 0.00 0.00 34.50 31.80 1ghq s PRO 7 CO 0.47 -2.03 1.40 -2.14 0.04 0.00 0.00 177.00 174.74 1ghq s PRO 8 N -4.79 4.24 0.79 0.56 0.02 -1.26 -4.98 135.00 129.58 1ghq s PRO 8 Ca 0.63 2.38 -0.11 0.00 0.02 0.00 0.00 61.00 63.92 1ghq s PRO 8 Cb -0.19 -3.03 0.07 0.00 0.02 0.00 0.00 34.50 31.37 1ghq s PRO 8 CO 0.57 -0.36 1.09 -1.25 -0.33 0.00 0.00 177.00 176.72 1ghq s PRO 9 N -1.85 2.11 -0.11 5.54 0.04 -1.26 -4.85 135.00 134.61 1ghq s PRO 9 Ca 0.51 0.72 -0.01 0.00 0.04 0.00 0.00 61.00 62.26 1ghq s PRO 9 Cb -0.43 -1.91 0.03 0.00 0.04 0.00 0.00 34.50 32.23 1ghq s PRO 9 CO 0.57 -1.62 -0.05 -1.50 0.04 0.00 0.00 177.00 174.44 1ghq s ILE 10 N -3.11 0.83 0.17 0.56 2.07 -1.26 -4.90 121.20 115.57 1ghq s ILE 10 Ca 0.61 -0.22 -0.30 0.00 -1.41 0.00 0.00 60.65 59.32 1ghq s ILE 10 Cb -0.15 -0.93 -0.09 0.00 0.13 0.00 0.00 42.46 41.43 1ghq s ILE 10 CO 0.55 0.29 1.36 -0.22 -1.91 0.00 0.00 174.94 175.00 1ghq s LEU 11 N 1.78 4.40 -1.66 8.50 2.96 -1.26 -2.79 118.68 130.61 1ghq s LEU 11 Ca 0.04 2.41 0.00 0.00 -0.22 0.00 0.00 54.13 56.36 1ghq s LEU 11 Cb -0.13 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.96 1ghq s LEU 11 CO -0.07 -0.60 0.00 0.59 -1.32 0.00 0.00 176.35 174.95 1ghq n ASN 12 N 3.08 -5.52 -1.76 3.68 4.13 -1.26 -4.09 115.26 113.52 1ghq n ASN 12 Ca 0.08 -0.00 -0.05 0.00 1.68 0.00 0.00 54.58 56.29 1ghq n ASN 12 Cb 0.42 -4.57 -0.01 0.00 -1.54 0.00 0.00 39.78 34.09 1ghq n ASN 12 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ghq n GLY 13 N -1.00 2.62 3.36 7.41 0.00 -1.12 -2.29 105.19 114.16 1ghq n GLY 13 Ca -0.23 -1.43 -0.10 0.00 0.00 0.00 0.00 46.02 44.27 1ghq n GLY 13 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ghq s ARG 14 N -2.28 1.19 -0.10 1.61 1.70 -0.25 -4.81 118.95 116.01 1ghq s ARG 14 Ca 0.11 -1.19 0.00 0.00 -0.47 0.00 0.00 55.73 54.18 1ghq s ARG 14 Cb -0.01 0.38 -0.02 0.00 -0.57 0.00 0.00 34.95 34.73 1ghq s ARG 14 CO 0.08 -0.44 -0.10 0.42 -1.08 0.00 0.00 175.30 174.17 1ghq s ILE 15 N -3.98 3.36 0.29 4.99 1.01 -1.26 -1.74 121.20 123.87 1ghq s ILE 15 Ca 0.18 -0.58 -0.30 0.00 0.00 0.00 0.00 60.65 59.96 1ghq s ILE 15 Cb 0.03 -2.39 -0.13 0.00 0.01 0.00 0.00 42.46 39.98 1ghq s ILE 15 CO 0.01 0.55 1.36 -1.54 0.00 0.00 0.00 174.94 175.32 1ghq n SER 16 N 2.96 2.81 -4.61 3.58 3.41 0.45 -4.85 113.62 117.37 1ghq n SER 16 Ca -0.18 1.17 -0.48 0.00 -0.26 0.00 0.00 58.87 59.12 1ghq n SER 16 Cb 0.53 -1.46 -0.04 0.00 -0.26 0.00 0.00 64.21 62.97 1ghq n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ghq n TYR 17 N 1.21 1.63 -4.12 7.33 9.36 -1.26 -4.65 117.16 126.66 1ghq n TYR 17 Ca 0.08 0.58 -0.13 0.00 3.32 0.00 0.00 57.90 61.74 1ghq n TYR 17 Cb 0.34 -2.36 -0.11 0.00 -0.63 0.00 0.00 39.34 36.58 1ghq n TYR 17 CO 0.00 0.00 0.00 1.52 0.22 0.00 0.00 176.86 178.60 1ghq s TYR 18 N 0.11 0.87 0.41 2.98 1.13 -1.26 -5.03 117.35 116.56 1ghq s TYR 18 Ca 0.75 -0.62 -0.01 0.00 -1.41 0.00 0.00 57.07 55.78 1ghq s TYR 18 Cb -0.82 -0.50 -0.03 0.00 -1.10 0.00 0.00 41.96 39.52 1ghq s TYR 18 CO 0.49 -0.06 0.64 -1.54 -2.51 0.00 0.00 175.55 172.57 1ghq s SER 19 N -2.12 6.19 -0.11 -0.18 1.04 -1.26 -5.10 113.70 112.16 1ghq s SER 19 Ca -0.01 0.56 0.02 0.00 0.48 0.00 0.00 55.95 57.00 1ghq s SER 19 Cb -0.05 -2.00 -0.01 0.00 0.10 0.00 0.00 66.02 64.06 1ghq s SER 19 CO -0.01 -0.46 -0.19 0.42 0.98 0.00 0.00 173.24 173.98 1ghq s THR 20 N -2.49 2.49 0.91 2.02 -4.23 -1.26 -4.18 115.64 108.90 1ghq s THR 20 Ca 0.44 -0.87 -0.14 0.00 -1.18 0.00 0.00 61.69 59.94 1ghq s THR 20 Cb -0.10 -1.99 0.15 0.00 1.34 0.00 0.00 72.50 71.89 1ghq s THR 20 CO 0.39 0.55 1.21 -2.16 -0.54 0.00 0.00 174.62 174.07 1ghq s PRO 21 N 0.33 1.14 -0.39 3.99 0.05 -1.26 -5.13 135.00 133.72 1ghq s PRO 21 Ca -0.15 -0.03 -0.13 0.00 0.05 0.00 0.00 61.00 60.74 1ghq s PRO 21 Cb -0.17 -1.87 0.03 0.00 0.05 0.00 0.00 34.50 32.54 1ghq s PRO 21 CO 0.07 -2.14 0.25 0.42 0.05 0.00 0.00 177.00 175.66 1ghq s ILE 22 N -3.57 4.90 0.40 0.56 1.01 -1.26 -5.07 121.20 118.17 1ghq s ILE 22 Ca 0.67 -0.78 -0.14 0.00 0.00 0.00 0.00 60.65 60.39 1ghq s ILE 22 Cb -0.09 -3.74 -0.08 0.00 0.01 0.00 0.00 42.46 38.56 1ghq s ILE 22 CO 0.52 -0.28 0.82 0.00 0.00 0.00 0.00 174.94 175.99 1ghq s ALA 23 N 1.61 3.25 0.47 9.38 0.00 -1.26 -1.22 121.76 133.99 1ghq s ALA 23 Ca 0.03 0.03 -0.23 0.00 0.00 0.00 0.00 51.96 51.79 1ghq s ALA 23 Cb -0.19 -2.85 -0.09 0.00 0.00 0.00 0.00 23.12 19.99 1ghq s ALA 23 CO 0.08 0.09 1.06 1.33 0.00 0.00 0.00 175.76 178.33 1ghq n VAL 24 N -0.92 2.77 0.00 0.00 0.24 -1.10 -1.33 118.33 118.00 1ghq n VAL 24 Ca 0.04 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 1ghq n VAL 24 Cb 0.54 -1.25 0.00 0.00 -1.47 0.00 0.00 33.84 31.65 1ghq n VAL 24 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ghq n GLY 25 N 1.12 3.34 3.75 7.63 0.00 0.25 -4.97 105.19 116.31 1ghq n GLY 25 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1ghq n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ghq s THR 26 N -2.87 3.43 -0.11 2.61 2.01 -0.44 -4.77 115.64 115.50 1ghq s THR 26 Ca 0.00 1.31 0.00 0.00 0.31 0.00 0.00 61.69 63.31 1ghq s THR 26 Cb 0.00 -3.83 -0.02 0.00 0.01 0.00 0.00 72.50 68.66 1ghq s THR 26 CO 0.00 0.26 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.38 1ghq s VAL 27 N -0.58 3.24 0.23 3.82 1.01 -1.26 -0.84 120.40 126.02 1ghq s VAL 27 Ca 0.49 -0.61 0.11 0.00 0.00 0.00 0.00 61.98 61.97 1ghq s VAL 27 Cb -0.33 -2.35 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 1ghq s VAL 27 CO 0.40 0.54 -0.22 0.27 0.00 0.00 0.00 175.10 176.09 1ghq s ILE 28 N 0.04 2.34 -0.10 2.22 -4.36 0.08 -4.95 121.20 116.47 1ghq s ILE 28 Ca -0.04 -2.18 0.03 0.00 -0.26 0.00 0.00 60.65 58.21 1ghq s ILE 28 Cb -0.14 -2.17 0.01 0.00 1.25 0.00 0.00 42.46 41.41 1ghq s ILE 28 CO 0.04 -0.26 -0.19 -0.13 0.24 0.00 0.00 174.94 174.64 1ghq s ARG 29 N -3.04 2.56 0.09 0.37 0.52 -1.26 -1.08 118.95 117.11 1ghq s ARG 29 Ca 0.24 -0.70 -0.03 0.00 -0.52 0.00 0.00 55.73 54.72 1ghq s ARG 29 Cb -0.06 -2.02 -0.05 0.00 0.52 0.00 0.00 34.95 33.34 1ghq s ARG 29 CO 0.11 0.08 0.28 0.71 0.02 0.00 0.00 175.30 176.50 1ghq s TYR 30 N 0.59 3.51 0.07 -0.53 1.51 0.43 -0.41 117.35 122.53 1ghq s TYR 30 Ca -0.14 0.40 -0.15 0.00 -1.01 0.00 0.00 57.07 56.17 1ghq s TYR 30 Cb -0.17 -1.88 0.03 0.00 -0.11 0.00 0.00 41.96 39.83 1ghq s TYR 30 CO 0.05 0.53 0.35 -1.54 -1.11 0.00 0.00 175.55 173.83 1ghq s SER 31 N -2.39 -0.18 0.09 2.29 1.04 -0.71 -4.81 113.70 109.03 1ghq s SER 31 Ca 0.36 -0.22 0.05 0.00 0.48 0.00 0.00 55.95 56.62 1ghq s SER 31 Cb -0.13 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.37 1ghq s SER 31 CO 0.25 -0.72 -0.01 0.00 0.98 0.00 0.00 173.24 173.75 1ghq n SER 33 N 0.57 -2.46 0.05 0.00 3.41 -0.97 -4.87 113.62 109.35 1ghq n SER 33 Ca -0.11 -0.08 0.10 0.00 -0.26 0.00 0.00 58.87 58.53 1ghq n SER 33 Cb 0.52 -0.93 0.42 0.00 -0.26 0.00 0.00 64.21 63.97 1ghq n SER 33 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ghq n GLY 34 N 2.15 -1.23 1.63 5.00 0.00 -1.26 -2.56 105.19 108.93 1ghq n GLY 34 Ca 0.01 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.11 1ghq n GLY 34 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ghq n THR 35 N -1.82 2.00 -4.32 2.61 -2.24 -1.26 -4.94 114.28 104.32 1ghq n THR 35 Ca 0.04 -1.25 -0.17 0.00 -2.27 0.00 0.00 64.05 60.40 1ghq n THR 35 Cb 0.24 0.06 -0.10 0.00 -2.10 0.00 0.00 70.33 68.43 1ghq n THR 35 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1ghq s PHE 36 N -2.01 1.53 -0.04 4.78 0.40 -1.06 -1.56 117.98 120.02 1ghq s PHE 36 Ca 0.52 -0.85 0.05 0.00 -0.60 0.00 0.00 56.93 56.05 1ghq s PHE 36 Cb 0.35 -0.86 -0.01 0.00 0.51 0.00 0.00 43.02 43.01 1ghq s PHE 36 CO 0.23 0.03 -0.19 1.03 0.70 0.00 0.00 175.22 177.03 1ghq s ARG 37 N -3.81 1.82 -0.06 0.44 1.81 0.12 -4.72 118.95 114.56 1ghq s ARG 37 Ca 0.25 -0.68 -0.29 0.00 -1.72 0.00 0.00 55.73 53.29 1ghq s ARG 37 Cb 0.04 -1.63 -0.02 0.00 -0.45 0.00 0.00 34.95 32.89 1ghq s ARG 37 CO 0.07 0.32 0.96 -1.17 -0.68 0.00 0.00 175.30 174.80 1ghq s LEU 38 N -0.15 4.31 -0.21 2.53 2.96 -1.26 -1.00 118.68 125.86 1ghq s LEU 38 Ca -0.00 1.55 -0.02 0.00 -0.22 0.00 0.00 54.13 55.43 1ghq s LEU 38 Cb -0.11 -3.51 0.00 0.00 0.50 0.00 0.00 46.19 43.08 1ghq s LEU 38 CO 0.01 -0.33 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.00 1ghq s ILE 39 N 1.45 2.98 0.00 6.68 -1.09 -0.17 -4.67 121.20 126.38 1ghq s ILE 39 Ca 0.49 -0.66 0.00 0.00 -2.23 0.00 0.00 60.65 58.25 1ghq s ILE 39 Cb -0.19 -2.35 0.00 0.00 -1.58 0.00 0.00 42.46 38.33 1ghq s ILE 39 CO 0.22 0.43 0.00 0.61 -1.23 0.00 0.00 174.94 174.98 1ghq n GLY 40 N 4.74 1.89 3.72 6.18 0.00 -1.26 -1.46 105.19 119.00 1ghq n GLY 40 Ca -0.19 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.29 1ghq n GLY 40 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ghq s GLU 41 N -1.82 4.33 0.25 1.61 2.56 -1.26 -4.91 118.70 119.47 1ghq s GLU 41 Ca 0.00 2.08 0.25 0.00 0.00 0.00 0.00 54.97 57.30 1ghq s GLU 41 Cb 0.00 -3.23 0.69 0.00 2.00 0.00 0.00 34.13 33.58 1ghq s GLU 41 CO 0.00 -0.40 1.72 1.57 -0.56 0.00 0.00 175.26 177.59 1ghq h LYS 42 N 6.47 0.00 -5.22 4.30 2.10 -1.95 -3.37 116.57 118.90 1ghq h LYS 42 Ca -0.43 0.00 -0.64 0.00 -2.00 0.00 0.00 60.65 57.58 1ghq h LYS 42 Cb 1.21 0.00 -0.23 0.00 -0.90 0.00 0.00 32.23 32.31 1ghq h LYS 42 CO 0.84 0.00 -0.69 -1.12 -2.00 0.00 0.00 179.45 176.49 1ghq s SER 43 N -4.87 4.63 -0.06 7.07 0.01 -1.26 -0.42 113.70 118.80 1ghq s SER 43 Ca 0.10 -0.21 0.02 0.00 1.31 0.00 0.00 55.95 57.17 1ghq s SER 43 Cb 0.11 -1.76 -0.03 0.00 0.21 0.00 0.00 66.02 64.55 1ghq s SER 43 CO 0.62 0.12 -0.08 -0.76 0.41 0.00 0.00 173.24 173.54 1ghq s LEU 44 N 0.65 3.07 -0.05 2.44 1.43 -0.24 -4.94 118.68 121.03 1ghq s LEU 44 Ca -0.03 -0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.05 1ghq s LEU 44 Cb -0.15 -1.67 -0.02 0.00 0.03 0.00 0.00 46.19 44.38 1ghq s LEU 44 CO 0.02 0.35 -0.17 -0.22 0.23 0.00 0.00 176.35 176.57 1ghq s LEU 45 N -0.84 2.57 -0.21 1.79 2.96 -1.26 -0.74 118.68 122.94 1ghq s LEU 45 Ca 0.13 -0.28 -0.23 0.00 -0.22 0.00 0.00 54.13 53.52 1ghq s LEU 45 Cb -0.11 -1.51 -0.01 0.00 0.50 0.00 0.00 46.19 45.06 1ghq s LEU 45 CO 0.02 0.31 0.77 0.00 -1.32 0.00 0.00 176.35 176.13 1ghq s ILE 47 N 2.41 0.38 -0.05 0.00 -4.36 0.11 0.87 121.20 120.57 1ghq s ILE 47 Ca 0.34 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.74 1ghq s ILE 47 Cb -0.16 -2.57 0.02 0.00 1.25 0.00 0.00 42.46 41.00 1ghq s ILE 47 CO 0.09 0.00 -0.08 0.28 0.24 0.00 0.00 174.94 175.47 1ghq s THR 48 N -3.75 0.82 -0.12 8.37 -1.32 -1.26 -0.17 115.64 118.20 1ghq s THR 48 Ca 0.37 -0.30 0.19 0.00 -1.21 0.00 0.00 61.69 60.74 1ghq s THR 48 Cb 0.07 -0.78 -0.27 0.00 -1.51 0.00 0.00 72.50 70.00 1ghq s THR 48 CO 0.15 0.28 0.24 0.29 -2.21 0.00 0.00 174.62 173.37 1ghq n LYS 49 N 3.89 0.76 -0.03 7.08 5.02 -1.26 -4.59 118.16 129.04 1ghq n LYS 49 Ca -0.24 -0.09 0.03 0.00 -2.02 0.00 0.00 58.31 55.99 1ghq n LYS 49 Cb 0.51 -1.49 0.05 0.00 -0.02 0.00 0.00 35.03 34.08 1ghq n LYS 49 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1ghq n ASP 50 N -2.49 2.13 -1.13 4.39 5.68 -1.26 -4.97 116.55 118.90 1ghq n ASP 50 Ca -0.19 -2.33 -0.15 0.00 -0.50 0.00 0.00 54.79 51.62 1ghq n ASP 50 Cb 0.86 -0.14 -0.06 0.00 -1.14 0.00 0.00 41.12 40.64 1ghq n ASP 50 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1ghq n LYS 51 N -0.77 -1.56 0.06 0.11 4.76 -1.26 -4.71 118.16 114.79 1ghq n LYS 51 Ca 0.05 1.01 0.00 0.00 -2.87 0.00 0.00 58.31 56.51 1ghq n LYS 51 Cb 0.37 -5.40 0.00 0.00 -1.84 0.00 0.00 35.03 28.16 1ghq n LYS 51 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1ghq n VAL 52 N -2.30 0.51 -3.03 -0.18 0.31 -1.26 -5.06 118.33 107.32 1ghq n VAL 52 Ca -0.15 0.17 -0.38 0.00 -0.01 0.00 0.00 64.34 63.97 1ghq n VAL 52 Cb 0.62 -1.16 -0.06 0.00 -0.91 0.00 0.00 33.84 32.33 1ghq n VAL 52 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1ghq s ASP 53 N -5.41 7.25 -0.16 4.52 1.01 -1.26 -4.96 116.67 117.66 1ghq s ASP 53 Ca 0.00 1.56 -0.04 0.00 0.71 0.00 0.00 52.55 54.78 1ghq s ASP 53 Cb 0.00 -2.47 -0.03 0.00 1.01 0.00 0.00 42.92 41.43 1ghq s ASP 53 CO 0.00 0.13 -0.02 -0.83 0.21 0.00 0.00 175.17 174.66 1ghq s GLY 54 N -1.35 1.74 0.07 0.21 0.00 -1.26 -4.22 107.32 102.51 1ghq s GLY 54 Ca 0.39 -0.82 -0.01 0.00 0.00 0.00 0.00 44.72 44.28 1ghq s GLY 54 CO 0.24 -0.04 -0.00 -1.08 0.00 0.00 0.00 173.10 172.22 1ghq s THR 55 N 0.39 0.18 0.14 0.90 -1.32 0.76 -4.63 115.64 112.06 1ghq s THR 55 Ca -0.03 -1.84 -0.27 0.00 -1.21 0.00 0.00 61.69 58.34 1ghq s THR 55 Cb -0.14 -1.68 -0.07 0.00 -1.51 0.00 0.00 72.50 69.10 1ghq s THR 55 CO 0.03 -0.83 0.83 0.26 -2.21 0.00 0.00 174.62 172.70 1ghq s TRP 56 N -3.96 3.86 -1.00 9.09 0.52 -1.26 -0.71 118.94 125.48 1ghq s TRP 56 Ca 0.12 1.67 0.16 0.00 0.02 0.00 0.00 56.10 58.07 1ghq s TRP 56 Cb 0.08 -2.87 0.69 0.00 -1.15 0.00 0.00 33.47 30.22 1ghq s TRP 56 CO -0.06 0.39 1.51 -0.40 0.02 0.00 0.00 176.95 178.41 1ghq n ASP 57 N 2.10 0.00 -3.72 2.95 3.85 0.14 -4.81 116.55 117.06 1ghq n ASP 57 Ca -0.03 0.50 -0.10 0.00 -0.71 0.00 0.00 54.79 54.45 1ghq n ASP 57 Cb 0.49 -0.50 -0.05 0.00 -1.35 0.00 0.00 41.12 39.71 1ghq n ASP 57 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1ghq s LYS 58 N -3.00 1.17 0.68 0.11 3.01 -1.26 -5.00 119.74 115.45 1ghq s LYS 58 Ca 0.08 -0.83 -0.11 0.00 -1.01 0.00 0.00 55.97 54.10 1ghq s LYS 58 Cb 0.10 0.47 -0.00 0.00 -1.01 0.00 0.00 37.83 37.39 1ghq s LYS 58 CO 0.29 -0.47 1.06 -1.25 0.51 0.00 0.00 175.35 175.49 1ghq s PRO 59 N -3.85 3.05 0.54 -1.68 0.04 -1.26 -4.98 135.00 126.85 1ghq s PRO 59 Ca 0.07 0.89 -0.22 0.00 0.04 0.00 0.00 61.00 61.78 1ghq s PRO 59 Cb 0.01 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.49 1ghq s PRO 59 CO -0.07 -1.01 1.38 0.00 0.04 0.00 0.00 177.00 177.34 1ghq s ALA 60 N -3.08 2.88 0.94 8.56 0.00 -1.26 -4.88 121.76 124.91 1ghq s ALA 60 Ca 0.57 1.37 -0.14 0.00 0.00 0.00 0.00 51.96 53.77 1ghq s ALA 60 Cb -0.13 -3.58 0.16 0.00 0.00 0.00 0.00 23.12 19.57 1ghq s ALA 60 CO 0.55 -1.38 1.18 -1.25 0.00 0.00 0.00 175.76 174.85 1ghq s PRO 61 N -2.85 0.89 0.24 0.00 0.04 -1.26 -5.00 135.00 127.06 1ghq s PRO 61 Ca 0.70 0.08 0.10 0.00 0.04 0.00 0.00 61.00 61.93 1ghq s PRO 61 Cb -0.41 -1.83 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 1ghq s PRO 61 CO 0.50 -2.32 -0.19 0.15 0.04 0.00 0.00 177.00 175.17 1ghq s LYS 62 N -5.46 1.53 -0.28 4.56 1.02 -0.54 -4.87 119.74 115.69 1ghq s LYS 62 Ca 0.66 -1.65 -0.07 0.00 0.02 0.00 0.00 55.97 54.93 1ghq s LYS 62 Cb -0.11 -1.57 -0.01 0.00 -0.52 0.00 0.00 37.83 35.62 1ghq s LYS 62 CO 0.53 0.30 0.09 0.00 -0.92 0.00 0.00 175.35 175.34 1ghq s GLU 64 N 1.55 3.71 0.03 0.00 2.12 -0.17 -4.85 118.70 121.10 1ghq s GLU 64 Ca 0.04 -0.31 -0.35 0.00 0.36 0.00 0.00 54.97 54.72 1ghq s GLU 64 Cb -0.16 -3.15 -0.14 0.00 0.26 0.00 0.00 34.13 30.94 1ghq s GLU 64 CO 0.03 0.45 1.64 0.98 -0.54 0.00 0.00 175.26 177.83 1ghq n TYR 65 N 2.99 2.14 -1.67 5.30 9.36 -1.26 0.16 117.16 134.17 1ghq n TYR 65 Ca -0.18 0.28 -0.46 0.00 3.32 0.00 0.00 57.90 60.87 1ghq n TYR 65 Cb 0.53 -2.53 -0.03 0.00 -0.63 0.00 0.00 39.34 36.67 1ghq n TYR 65 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1ghq n PHE 66 N 4.43 2.21 -3.88 2.98 7.35 -0.60 -4.78 117.46 125.16 1ghq n PHE 66 Ca 0.20 0.35 -0.30 0.00 -0.76 0.00 0.00 57.45 56.94 1ghq n PHE 66 Cb 0.26 -2.50 -0.15 0.00 0.35 0.00 0.00 39.48 37.43 1ghq n PHE 66 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1ghq s ASN 67 N 0.62 4.10 0.51 -2.13 3.84 -1.26 -4.99 114.94 115.62 1ghq s ASN 67 Ca 0.74 -1.56 0.34 0.00 0.21 0.00 0.00 52.86 52.59 1ghq s ASN 67 Cb -0.67 -1.16 1.65 0.00 -0.55 0.00 0.00 41.25 40.52 1ghq s ASN 67 CO 0.43 -0.33 2.03 0.07 -2.79 0.00 0.00 177.10 176.51 1ghq h LYS 68 N 7.93 0.00 0.00 0.43 2.10 -1.99 -2.02 116.57 123.02 1ghq h LYS 68 Ca -0.13 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.52 1ghq h LYS 68 Cb 1.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.37 1ghq h LYS 68 CO 0.46 0.00 -0.52 1.88 -2.00 0.00 0.00 179.45 179.27 1ghq h TYR 69 N 0.00 0.00 -3.17 0.07 -1.99 -1.96 -3.47 116.97 106.44 1ghq h TYR 69 Ca 0.00 0.00 -0.53 0.00 2.00 0.00 0.00 58.73 60.20 1ghq h TYR 69 Cb 0.23 0.00 0.08 0.00 2.00 0.00 0.00 36.73 39.04 1ghq h TYR 69 CO 0.00 0.00 0.90 0.43 -0.00 0.00 0.00 178.16 179.49 1ghq n SER 70 N -2.65 3.86 -3.46 3.88 7.64 -0.76 -4.99 113.62 117.14 1ghq n SER 70 Ca 0.02 1.13 -0.12 0.00 1.01 0.00 0.00 58.87 60.92 1ghq n SER 70 Cb 0.51 -1.59 -0.10 0.00 -1.01 0.00 0.00 64.21 62.02 1ghq n SER 70 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ghq s SER 71 N 0.59 0.45 0.05 6.43 0.15 -1.26 -3.47 113.70 116.65 1ghq s SER 71 Ca 0.66 0.26 -0.19 0.00 0.70 0.00 0.00 55.95 57.38 1ghq s SER 71 Cb -0.50 0.92 -0.06 0.00 -1.71 0.00 0.00 66.02 64.67 1ghq s SER 71 CO 0.46 -0.29 0.55 0.00 1.20 0.00 0.00 173.24 175.16 1ghq s PRO 73 N -1.00 2.73 0.04 0.00 0.04 -1.26 -4.30 135.00 131.25 1ghq s PRO 73 Ca 0.28 0.85 -0.30 0.00 0.04 0.00 0.00 61.00 61.87 1ghq s PRO 73 Cb -0.19 -1.97 -0.08 0.00 0.04 0.00 0.00 34.50 32.29 1ghq s PRO 73 CO 0.18 -1.22 1.81 -2.00 0.04 0.00 0.00 177.00 175.81 1ghq s GLU 74 N -5.09 4.16 0.28 4.56 2.56 -1.26 -4.90 118.70 119.00 1ghq s GLU 74 Ca 0.59 2.47 -0.29 0.00 0.00 0.00 0.00 54.97 57.73 1ghq s GLU 74 Cb -0.14 -3.90 -0.09 0.00 2.00 0.00 0.00 34.13 32.00 1ghq s GLU 74 CO 0.55 -0.87 1.18 -1.25 -0.56 0.00 0.00 175.26 174.31 1ghq s PRO 75 N 3.66 4.53 -0.06 4.30 0.04 -1.26 -5.05 135.00 141.16 1ghq s PRO 75 Ca 0.81 1.94 0.04 0.00 0.04 0.00 0.00 61.00 63.83 1ghq s PRO 75 Cb -0.41 -3.16 -0.00 0.00 0.04 0.00 0.00 34.50 30.97 1ghq s PRO 75 CO 0.36 0.03 -0.20 0.42 0.04 0.00 0.00 177.00 177.66 1ghq s ILE 76 N -0.92 1.65 -0.21 0.56 1.01 -1.26 -4.99 121.20 117.04 1ghq s ILE 76 Ca 0.48 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 60.31 1ghq s ILE 76 Cb -0.34 -1.42 0.05 0.00 0.01 0.00 0.00 42.46 40.75 1ghq s ILE 76 CO 0.43 0.47 -0.07 -0.69 0.00 0.00 0.00 174.94 175.08 1ghq s VAL 77 N 0.13 1.49 0.21 2.92 1.01 -1.26 -5.07 120.40 119.83 1ghq s VAL 77 Ca -0.08 -1.03 -0.32 0.00 0.00 0.00 0.00 61.98 60.55 1ghq s VAL 77 Cb -0.14 -1.67 -0.13 0.00 0.00 0.00 0.00 36.38 34.45 1ghq s VAL 77 CO 0.04 0.04 1.63 -2.65 0.00 0.00 0.00 175.10 174.16 1ghq n PRO 78 N 4.72 2.52 -0.99 2.72 -0.02 -1.26 -0.73 135.00 141.96 1ghq n PRO 78 Ca -0.13 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1ghq n PRO 78 Cb 0.46 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 1ghq n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ghq n GLY 79 N 3.31 0.66 3.39 -1.23 0.00 -1.26 -3.97 105.19 106.09 1ghq n GLY 79 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 1ghq n GLY 79 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ghq s GLY 80 N -2.00 2.07 0.01 -0.02 0.00 0.10 0.51 107.32 107.99 1ghq s GLY 80 Ca 0.00 -1.77 -0.10 0.00 0.00 0.00 0.00 44.72 42.85 1ghq s GLY 80 CO 0.00 -1.69 0.20 -2.52 0.00 0.00 0.00 173.10 169.09 1ghq s TYR 81 N -3.50 -0.01 0.21 1.90 -0.85 0.59 -4.72 117.35 110.96 1ghq s TYR 81 Ca 0.34 -0.10 -0.30 0.00 -0.52 0.00 0.00 57.07 56.50 1ghq s TYR 81 Cb 0.06 -0.01 -0.08 0.00 0.38 0.00 0.00 41.96 42.32 1ghq s TYR 81 CO 0.15 -0.37 1.12 0.21 -1.52 0.00 0.00 175.55 175.14 1ghq s LYS 82 N -1.87 4.59 -0.17 -3.49 2.20 -1.26 -1.05 119.74 118.68 1ghq s LYS 82 Ca -0.10 1.77 0.02 0.00 -0.36 0.00 0.00 55.97 57.30 1ghq s LYS 82 Cb -0.04 -3.25 -0.11 0.00 -1.51 0.00 0.00 37.83 32.92 1ghq s LYS 82 CO -0.00 0.08 -0.14 -0.89 -0.36 0.00 0.00 175.35 174.04 1ghq n ILE 83 N 2.07 0.98 -4.16 5.43 -0.00 0.14 -4.89 119.36 118.93 1ghq n ILE 83 Ca 0.02 -0.38 -0.14 0.00 -0.00 0.00 0.00 62.75 62.25 1ghq n ILE 83 Cb 0.45 -1.09 -0.11 0.00 -0.00 0.00 0.00 39.64 38.90 1ghq n ILE 83 CO 0.00 0.00 0.00 -0.13 -0.00 0.00 0.00 176.55 176.42 1ghq s ARG 84 N -2.34 0.80 0.00 0.38 0.52 -1.06 -4.95 118.95 112.30 1ghq s ARG 84 Ca -0.22 -1.13 0.00 0.00 -0.52 0.00 0.00 55.73 53.86 1ghq s ARG 84 Cb 0.06 -0.45 0.00 0.00 0.52 0.00 0.00 34.95 35.08 1ghq s ARG 84 CO 0.40 0.06 0.00 0.41 0.02 0.00 0.00 175.30 176.19 1ghq n GLY 85 N 0.59 2.80 2.99 -3.53 0.00 -1.26 -1.45 105.19 105.33 1ghq n GLY 85 Ca -0.16 -1.49 -0.11 0.00 0.00 0.00 0.00 46.02 44.26 1ghq n GLY 85 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ghq s SER 86 N 0.00 0.01 0.57 1.61 0.15 -1.26 -4.99 113.70 109.78 1ghq s SER 86 Ca 0.00 -0.07 -0.19 0.00 0.70 0.00 0.00 55.95 56.39 1ghq s SER 86 Cb 0.00 0.15 -0.05 0.00 -1.71 0.00 0.00 66.02 64.42 1ghq s SER 86 CO 0.00 -0.16 1.18 -0.89 1.20 0.00 0.00 173.24 174.57 1ghq s THR 87 N -0.58 2.86 0.41 6.45 2.01 -1.26 -4.34 115.64 121.19 1ghq s THR 87 Ca -0.07 0.54 -0.15 0.00 0.31 0.00 0.00 61.69 62.33 1ghq s THR 87 Cb -0.04 -3.22 -0.08 0.00 0.01 0.00 0.00 72.50 69.17 1ghq s THR 87 CO 0.00 -0.11 0.83 -2.16 -0.69 0.00 0.00 174.62 172.49 1ghq s PRO 88 N -3.27 3.95 -0.39 4.92 0.04 -1.26 -5.13 135.00 133.86 1ghq s PRO 88 Ca 0.75 0.73 -0.16 0.00 0.04 0.00 0.00 61.00 62.35 1ghq s PRO 88 Cb -0.28 -2.32 0.01 0.00 0.04 0.00 0.00 34.50 31.95 1ghq s PRO 88 CO 0.31 -0.02 0.38 0.71 0.04 0.00 0.00 177.00 178.41 1ghq s TYR 89 N -2.28 3.20 0.46 0.56 1.51 -1.26 -5.05 117.35 114.50 1ghq s TYR 89 Ca 0.55 -0.29 0.08 0.00 -1.01 0.00 0.00 57.07 56.41 1ghq s TYR 89 Cb -0.10 -2.74 0.02 0.00 -0.11 0.00 0.00 41.96 39.03 1ghq s TYR 89 CO 0.24 -0.57 0.56 1.03 -1.11 0.00 0.00 175.55 175.70 1ghq s ARG 90 N 1.99 2.59 -0.07 -0.62 3.00 -1.26 -1.47 118.95 123.11 1ghq s ARG 90 Ca 0.10 -1.47 -0.38 0.00 0.00 0.00 0.00 55.73 53.99 1ghq s ARG 90 Cb -0.17 -2.58 -0.16 0.00 0.00 0.00 0.00 34.95 32.04 1ghq s ARG 90 CO 0.12 -0.41 1.56 1.58 0.00 0.00 0.00 175.30 178.15 1ghq n HIS 91 N -1.86 1.84 0.00 -0.53 -0.00 -1.23 -0.80 115.22 112.65 1ghq n HIS 91 Ca 0.08 0.52 0.00 0.00 -0.00 0.00 0.00 57.72 58.32 1ghq n HIS 91 Cb 0.61 -2.42 0.00 0.00 -0.00 0.00 0.00 29.99 28.17 1ghq n HIS 91 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1ghq n GLY 92 N 3.40 2.44 3.76 1.57 0.00 0.47 -4.97 105.19 111.86 1ghq n GLY 92 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 1ghq n GLY 92 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ghq s ASP 93 N -2.04 5.02 0.22 1.61 -0.00 0.02 -4.62 116.67 116.88 1ghq s ASP 93 Ca 0.00 2.08 0.02 0.00 -0.00 0.00 0.00 52.55 54.65 1ghq s ASP 93 Cb 0.00 -2.56 -0.05 0.00 -0.00 0.00 0.00 42.92 40.31 1ghq s ASP 93 CO 0.00 -1.69 0.05 -0.94 -0.00 0.00 0.00 175.17 172.59 1ghq s SER 94 N -2.40 1.26 0.03 0.27 1.04 -1.26 0.39 113.70 113.03 1ghq s SER 94 Ca 0.69 -1.28 -0.02 0.00 0.48 0.00 0.00 55.95 55.82 1ghq s SER 94 Cb -0.22 0.13 -0.02 0.00 0.10 0.00 0.00 66.02 66.00 1ghq s SER 94 CO 0.40 -0.64 0.01 0.68 0.98 0.00 0.00 173.24 174.68 1ghq s VAL 95 N -3.68 0.15 0.03 5.02 -7.23 -0.90 -4.36 120.40 109.42 1ghq s VAL 95 Ca 0.31 -1.21 0.06 0.00 -1.81 0.00 0.00 61.98 59.33 1ghq s VAL 95 Cb 0.07 -0.81 -0.02 0.00 0.56 0.00 0.00 36.38 36.18 1ghq s VAL 95 CO 0.09 -0.67 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.16 1ghq s THR 96 N -2.49 1.31 0.38 5.32 2.01 -0.53 -1.95 115.64 119.69 1ghq s THR 96 Ca -0.06 -0.98 0.08 0.00 0.31 0.00 0.00 61.69 61.04 1ghq s THR 96 Cb -0.02 -1.15 -0.07 0.00 0.01 0.00 0.00 72.50 71.27 1ghq s THR 96 CO -0.04 0.15 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.64 1ghq s PHE 97 N -0.72 2.47 0.01 4.92 0.40 0.46 0.29 117.98 125.81 1ghq s PHE 97 Ca 0.04 -0.58 -0.06 0.00 -0.60 0.00 0.00 56.93 55.74 1ghq s PHE 97 Cb -0.08 -1.59 -0.00 0.00 0.51 0.00 0.00 43.02 41.86 1ghq s PHE 97 CO 0.01 0.51 0.10 0.00 0.70 0.00 0.00 175.22 176.54 1ghq s ALA 98 N -2.65 -0.21 0.21 5.36 0.00 -0.22 -4.81 121.76 119.44 1ghq s ALA 98 Ca 0.34 -0.26 -0.13 0.00 0.00 0.00 0.00 51.96 51.90 1ghq s ALA 98 Cb 0.06 0.13 -0.07 0.00 0.00 0.00 0.00 23.12 23.24 1ghq s ALA 98 CO 0.17 -0.21 0.59 0.00 0.00 0.00 0.00 175.76 176.32 1ghq s LYS 100 N -2.41 0.01 0.10 0.00 1.02 0.18 -4.88 119.74 113.77 1ghq s LYS 100 Ca 0.44 0.11 -0.36 0.00 0.02 0.00 0.00 55.97 56.19 1ghq s LYS 100 Cb -0.13 -1.72 -0.16 0.00 -0.52 0.00 0.00 37.83 35.30 1ghq s LYS 100 CO 0.20 -2.93 1.45 2.41 -0.92 0.00 0.00 175.35 175.56 1ghq n THR 101 N -4.24 0.02 -0.99 2.17 -1.04 -1.26 -1.59 114.28 107.36 1ghq n THR 101 Ca 0.10 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 1ghq n THR 101 Cb 0.59 -1.11 0.00 0.00 -1.82 0.00 0.00 70.33 67.99 1ghq n THR 101 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1ghq n ASN 102 N 3.01 -2.93 -4.40 8.00 3.02 -1.26 -5.05 115.26 115.65 1ghq n ASN 102 Ca 0.18 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.46 1ghq n ASN 102 Cb 0.22 -0.49 -0.12 0.00 -0.61 0.00 0.00 39.78 38.78 1ghq n ASN 102 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1ghq s PHE 103 N -2.02 2.27 0.02 3.10 0.40 -0.62 -1.70 117.98 119.43 1ghq s PHE 103 Ca 0.00 -0.37 0.07 0.00 -0.60 0.00 0.00 56.93 56.02 1ghq s PHE 103 Cb 0.00 -1.18 -0.03 0.00 0.51 0.00 0.00 43.02 42.32 1ghq s PHE 103 CO 0.00 0.41 -0.18 -1.54 0.70 0.00 0.00 175.22 174.61 1ghq s SER 104 N -2.35 3.79 0.03 1.36 1.04 0.95 -4.72 113.70 113.80 1ghq s SER 104 Ca 0.17 -0.39 -0.20 0.00 0.48 0.00 0.00 55.95 56.00 1ghq s SER 104 Cb -0.09 -0.63 -0.06 0.00 0.10 0.00 0.00 66.02 65.34 1ghq s SER 104 CO 0.08 0.27 0.60 -0.32 0.98 0.00 0.00 173.24 174.85 1ghq s MET 105 N -1.27 4.29 -0.23 4.02 1.75 -1.26 -0.87 119.30 125.74 1ghq s MET 105 Ca 0.14 0.76 0.01 0.00 -1.25 0.00 0.00 55.69 55.35 1ghq s MET 105 Cb -0.10 -3.31 0.04 0.00 2.84 0.00 0.00 34.83 34.29 1ghq s MET 105 CO 0.04 0.46 -0.13 1.21 -0.65 0.00 0.00 175.02 175.95 1ghq s ASN 106 N -0.51 3.89 0.00 1.11 3.84 0.97 -4.97 114.94 119.26 1ghq s ASN 106 Ca 0.31 -0.97 0.00 0.00 0.21 0.00 0.00 52.86 52.41 1ghq s ASN 106 Cb -0.19 -1.55 0.00 0.00 -0.55 0.00 0.00 41.25 38.96 1ghq s ASN 106 CO 0.18 -0.10 0.00 0.61 -2.79 0.00 0.00 177.10 175.00 1ghq n GLY 107 N 4.57 -0.55 3.74 1.21 0.00 -1.26 -0.60 105.19 112.30 1ghq n GLY 107 Ca -0.17 -2.26 -0.40 0.00 0.00 0.00 0.00 46.02 43.18 1ghq n GLY 107 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ghq s ASN 108 N -1.39 7.57 0.14 1.61 -0.87 -1.26 -4.89 114.94 115.85 1ghq s ASN 108 Ca 0.00 1.86 0.25 0.00 -1.57 0.00 0.00 52.86 53.41 1ghq s ASN 108 Cb 0.00 -2.59 0.93 0.00 -0.02 0.00 0.00 41.25 39.57 1ghq s ASN 108 CO 0.00 0.07 1.77 2.29 -2.57 0.00 0.00 177.10 178.66 1ghq n LYS 109 N 2.04 0.15 -4.94 -0.60 2.85 -1.26 -3.77 118.16 112.62 1ghq n LYS 109 Ca -0.00 0.20 -0.26 0.00 -1.05 0.00 0.00 58.31 57.20 1ghq n LYS 109 Cb 0.48 -1.71 -0.16 0.00 -0.65 0.00 0.00 35.03 33.00 1ghq n LYS 109 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1ghq s SER 110 N -3.92 2.29 0.20 -5.58 0.01 -1.26 -0.40 113.70 105.03 1ghq s SER 110 Ca 0.10 -0.36 0.05 0.00 1.31 0.00 0.00 55.95 57.06 1ghq s SER 110 Cb 0.13 -0.32 -0.05 0.00 0.21 0.00 0.00 66.02 66.00 1ghq s SER 110 CO 0.51 0.23 -0.09 0.68 0.41 0.00 0.00 173.24 174.98 1ghq s VAL 111 N -0.38 1.34 0.07 3.43 -7.23 -0.82 -4.91 120.40 111.90 1ghq s VAL 111 Ca 0.06 -2.10 0.10 0.00 -1.81 0.00 0.00 61.98 58.22 1ghq s VAL 111 Cb -0.08 -2.08 -0.03 0.00 0.56 0.00 0.00 36.38 34.75 1ghq s VAL 111 CO -0.00 -0.56 -0.26 0.26 -0.31 0.00 0.00 175.10 174.22 1ghq s TRP 112 N -3.22 2.29 -0.41 2.82 0.51 -1.26 -2.12 118.94 117.56 1ghq s TRP 112 Ca 0.22 -0.40 -0.29 0.00 -2.12 0.00 0.00 56.10 53.51 1ghq s TRP 112 Cb 0.02 -1.33 0.02 0.00 -0.81 0.00 0.00 33.47 31.37 1ghq s TRP 112 CO 0.05 0.18 1.13 0.00 -0.51 0.00 0.00 176.95 177.81 1ghq s GLN 114 N 4.16 2.96 0.38 0.00 -0.21 -0.58 -0.39 119.66 125.98 1ghq s GLN 114 Ca 0.48 0.12 0.11 0.00 0.02 0.00 0.00 55.36 56.08 1ghq s GLN 114 Cb -0.10 -2.22 0.89 0.00 1.00 0.00 0.00 33.01 32.57 1ghq s GLN 114 CO 0.25 -0.73 1.91 0.00 -2.12 0.00 0.00 175.29 174.60 1ghq h ALA 115 N -0.25 1.90 -0.12 6.09 0.00 -1.93 -0.19 119.26 124.77 1ghq h ALA 115 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1ghq h ALA 115 Cb 1.25 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1ghq h ALA 115 CO 0.61 -0.10 0.00 0.27 0.00 0.00 0.00 179.25 180.04 1ghq n ASN 116 N -4.51 1.37 0.00 0.00 0.23 -1.26 -4.60 115.26 106.48 1ghq n ASN 116 Ca 0.15 -2.10 0.00 0.00 -0.53 0.00 0.00 54.58 52.10 1ghq n ASN 116 Cb 0.43 -0.34 0.00 0.00 -2.08 0.00 0.00 39.78 37.79 1ghq n ASN 116 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1ghq n ASN 117 N 0.02 -0.31 -4.88 0.53 3.02 -0.08 -5.00 115.26 108.56 1ghq n ASN 117 Ca 0.05 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.30 1ghq n ASN 117 Cb 0.29 -1.22 -0.04 0.00 -0.61 0.00 0.00 39.78 38.20 1ghq n ASN 117 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1ghq s MET 118 N -0.50 3.74 0.36 3.52 -1.94 -1.26 -4.47 119.30 118.75 1ghq s MET 118 Ca 0.00 0.26 -0.21 0.00 -1.71 0.00 0.00 55.69 54.03 1ghq s MET 118 Cb 0.00 -2.55 -0.10 0.00 2.01 0.00 0.00 34.83 34.19 1ghq s MET 118 CO 0.00 0.16 0.88 -1.58 -0.01 0.00 0.00 175.02 174.47 1ghq s TRP 119 N -2.10 3.46 0.00 -0.03 0.52 -1.26 -1.52 118.94 118.00 1ghq s TRP 119 Ca 0.48 1.55 0.00 0.00 0.02 0.00 0.00 56.10 58.15 1ghq s TRP 119 Cb -0.11 -2.78 0.00 0.00 -1.15 0.00 0.00 33.47 29.44 1ghq s TRP 119 CO 0.27 0.06 0.00 0.41 0.02 0.00 0.00 176.95 177.72 1ghq n GLY 120 N -0.13 0.00 0.23 0.98 0.00 0.71 -4.66 105.19 102.32 1ghq n GLY 120 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 1ghq n GLY 120 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ghq h PRO 121 N -0.23 0.72 0.00 1.61 0.11 -1.91 -3.44 132.00 128.86 1ghq h PRO 121 Ca 0.00 -0.49 -0.34 0.00 0.11 0.00 0.00 66.00 65.27 1ghq h PRO 121 Cb 0.47 0.07 0.05 0.00 0.11 0.00 0.00 31.00 31.70 1ghq h PRO 121 CO 0.00 1.11 0.04 2.41 -0.21 0.00 0.00 178.00 181.35 1ghq n THR 122 N -3.96 0.00 -2.07 -1.15 -1.04 -1.26 -5.08 114.28 99.72 1ghq n THR 122 Ca -0.05 -1.24 -0.32 0.00 -2.04 0.00 0.00 64.05 60.41 1ghq n THR 122 Cb 0.65 -0.90 -0.00 0.00 -1.82 0.00 0.00 70.33 68.26 1ghq n THR 122 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1ghq s ARG 123 N -4.23 3.65 0.66 -2.82 0.52 -1.26 -4.95 118.95 110.51 1ghq s ARG 123 Ca 0.47 0.90 -0.17 0.00 -0.52 0.00 0.00 55.73 56.41 1ghq s ARG 123 Cb -0.03 -2.09 -0.05 0.00 0.52 0.00 0.00 34.95 33.31 1ghq s ARG 123 CO 0.31 -0.53 0.70 1.28 0.02 0.00 0.00 175.30 177.08 1ghq n LEU 124 N -2.25 1.94 -4.76 2.53 4.77 -1.26 -4.69 117.00 113.28 1ghq n LEU 124 Ca 0.07 0.69 -0.31 0.00 -0.03 0.00 0.00 56.01 56.42 1ghq n LEU 124 Cb 0.54 -1.28 0.09 0.00 -2.33 0.00 0.00 43.42 40.44 1ghq n LEU 124 CO 0.52 -2.63 0.70 -2.16 -1.33 0.00 0.00 177.39 172.49 1ghq s PRO 125 N -2.69 2.23 0.08 3.23 0.04 -1.25 -4.90 135.00 131.75 1ghq s PRO 125 Ca 0.70 1.20 0.09 0.00 0.04 0.00 0.00 61.00 63.03 1ghq s PRO 125 Cb -0.39 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.23 1ghq s PRO 125 CO 0.53 -1.67 -0.24 -0.08 0.04 0.00 0.00 177.00 175.58 1ghq s THR 126 N -2.86 1.99 -0.27 1.26 -1.32 0.23 -4.92 115.64 109.76 1ghq s THR 126 Ca 0.62 -1.49 -0.01 0.00 -1.21 0.00 0.00 61.69 59.60 1ghq s THR 126 Cb -0.18 -1.75 0.04 0.00 -1.51 0.00 0.00 72.50 69.11 1ghq s THR 126 CO 0.55 0.17 -0.05 0.00 -2.21 0.00 0.00 174.62 173.08 1ghq s VAL 128 N 1.25 4.69 0.32 0.00 0.11 -0.05 -4.71 120.40 122.01 1ghq s VAL 128 Ca -0.03 -0.46 -0.29 0.00 -2.93 0.00 0.00 61.98 58.27 1ghq s VAL 128 Cb -0.18 -3.15 -0.11 0.00 -1.53 0.00 0.00 36.38 31.40 1ghq s VAL 128 CO -0.04 0.32 1.51 -0.55 -3.33 0.00 0.00 175.10 173.02 1ghq s SER 129 N -1.81 6.43 0.49 3.54 0.15 -1.26 -0.04 113.70 121.20 1ghq s SER 129 Ca 0.24 2.93 0.19 0.00 0.70 0.00 0.00 55.95 60.01 1ghq s SER 129 Cb -0.12 -2.65 1.22 0.00 -1.71 0.00 0.00 66.02 62.76 1ghq s SER 129 CO 0.15 -0.84 2.05 0.58 1.20 0.00 0.00 173.24 176.38 1ghq h VAL 130 N 3.22 0.91 -3.46 4.45 2.07 -1.66 -3.41 116.25 118.37 1ghq h VAL 130 Ca -0.49 -0.50 -0.57 0.00 0.82 0.00 0.00 66.70 65.96 1ghq h VAL 130 Cb 1.23 1.29 -0.07 0.00 -1.52 0.00 0.00 31.29 32.21 1ghq h VAL 130 CO 0.72 0.13 0.82 -0.36 0.02 0.00 0.00 177.57 178.91 1ghq s PHE 131 N -4.55 3.04 0.21 1.57 0.40 -1.26 -4.95 117.98 112.45 1ghq s PHE 131 Ca -0.04 0.98 -0.15 0.00 -0.60 0.00 0.00 56.93 57.13 1ghq s PHE 131 Cb 0.15 -3.90 0.24 0.00 0.51 0.00 0.00 43.02 40.02 1ghq s PHE 131 CO 0.65 -0.92 1.61 -1.00 0.70 0.00 0.00 175.22 176.26 1ghq h PRO 132 N 8.49 -0.04 -0.01 0.24 0.13 -2.02 -2.58 132.00 136.19 1ghq h PRO 132 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1ghq h PRO 132 Cb 1.06 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1ghq h PRO 132 CO 1.05 -0.03 0.00 1.28 -0.23 0.00 0.00 178.00 180.07 1ghq n LEU 133 N -5.46 0.01 0.00 1.56 4.77 -1.26 -5.10 117.00 111.53 1ghq n LEU 133 Ca 0.08 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1ghq n LEU 133 Cb 0.36 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1ghq n LEU 133 CO 0.01 0.00 0.06 -0.62 -1.33 0.00 0.00 177.39 175.52