#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gxh n GLU 2 N 0.00 4.95 -0.80 2.12 4.71 -1.26 -4.96 120.64 125.40 1gxh n GLU 2 Ca 0.00 -4.35 -0.29 0.00 -0.01 0.00 0.00 57.16 52.51 1gxh n GLU 2 Cb 0.00 -2.54 0.19 0.00 -1.01 0.00 0.00 31.44 28.08 1gxh n GLU 2 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1gxh s LEU 3 N -3.29 1.84 0.13 -4.62 1.43 -1.26 -4.98 118.68 107.94 1gxh s LEU 3 Ca 0.40 1.69 -0.34 0.00 -1.03 0.00 0.00 54.13 54.85 1gxh s LEU 3 Cb 0.15 -3.89 -0.13 0.00 0.03 0.00 0.00 46.19 42.34 1gxh s LEU 3 CO -0.06 -3.41 1.64 0.29 0.23 0.00 0.00 176.35 175.05 1gxh n LYS 4 N -4.40 2.23 0.23 1.70 4.76 -1.26 -4.90 118.16 116.51 1gxh n LYS 4 Ca 0.07 0.81 0.11 0.00 -2.87 0.00 0.00 58.31 56.42 1gxh n LYS 4 Cb 0.54 -2.60 0.49 0.00 -1.84 0.00 0.00 35.03 31.62 1gxh n LYS 4 CO 0.00 0.00 0.00 -0.97 -1.37 0.00 0.00 177.40 175.06 1gxh h ASN 5 N 6.54 0.00 -4.99 4.39 -0.00 -1.94 -3.47 115.58 116.11 1gxh h ASN 5 Ca -0.45 0.00 0.04 0.00 -0.00 0.00 0.00 56.30 55.89 1gxh h ASN 5 Cb 1.25 0.00 -0.10 0.00 -0.00 0.00 0.00 38.32 39.47 1gxh h ASN 5 CO 0.90 0.20 0.27 -0.44 -0.00 0.00 0.00 177.43 178.36 1gxh s SER 6 N -6.14 -0.41 0.35 1.15 0.01 -1.26 -4.78 113.70 102.62 1gxh s SER 6 Ca 0.01 -0.23 0.16 0.00 1.31 0.00 0.00 55.95 57.19 1gxh s SER 6 Cb 0.10 0.61 1.17 0.00 0.21 0.00 0.00 66.02 68.11 1gxh s SER 6 CO 0.63 -1.05 1.54 -0.38 0.41 0.00 0.00 173.24 174.38 1gxh n ILE 7 N -0.40 -0.41 0.54 1.44 5.41 -0.15 -1.29 119.36 124.50 1gxh n ILE 7 Ca -0.11 2.02 0.10 0.00 1.00 0.00 0.00 62.75 65.76 1gxh n ILE 7 Cb 0.62 -3.20 0.42 0.00 -0.71 0.00 0.00 39.64 36.78 1gxh n ILE 7 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1gxh n SER 8 N -5.27 0.31 -0.20 4.38 3.41 -1.26 -0.56 113.62 114.44 1gxh n SER 8 Ca 0.33 0.57 0.07 0.00 -0.26 0.00 0.00 58.87 59.58 1gxh n SER 8 Cb 1.13 -0.64 -0.03 0.00 -0.26 0.00 0.00 64.21 64.41 1gxh n SER 8 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1gxh n ASP 9 N -1.83 1.17 -3.71 4.04 2.03 -0.41 -2.99 116.55 114.85 1gxh n ASP 9 Ca 0.04 -1.09 -0.41 0.00 0.52 0.00 0.00 54.79 53.84 1gxh n ASP 9 Cb 0.24 0.69 0.01 0.00 -0.72 0.00 0.00 41.12 41.34 1gxh n ASP 9 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1gxh n TYR 10 N -0.65 2.64 -0.78 -0.67 4.01 0.27 -4.79 117.16 117.19 1gxh n TYR 10 Ca 0.05 -2.70 -0.26 0.00 -0.16 0.00 0.00 57.90 54.83 1gxh n TYR 10 Cb 0.27 -1.61 -0.01 0.00 -0.31 0.00 0.00 39.34 37.69 1gxh n TYR 10 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1gxh n THR 11 N 1.64 0.70 -0.52 -0.72 -2.24 -1.26 -3.67 114.28 108.20 1gxh n THR 11 Ca 0.46 -0.29 0.42 0.00 -2.27 0.00 0.00 64.05 62.38 1gxh n THR 11 Cb 0.29 0.00 0.73 0.00 -2.10 0.00 0.00 70.33 69.26 1gxh n THR 11 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1gxh h GLU 12 N 0.35 0.05 0.00 -0.78 4.81 -1.86 0.37 114.58 117.51 1gxh h GLU 12 Ca -0.19 -0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.86 1gxh h GLU 12 Cb 0.84 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.18 1gxh h GLU 12 CO 0.30 0.03 -1.85 2.41 -0.73 0.00 0.00 179.01 179.17 1gxh n THR 13 N -4.30 0.91 -0.19 0.32 -1.04 -1.26 -2.58 114.28 106.14 1gxh n THR 13 Ca 0.37 -0.69 -0.08 0.00 -2.04 0.00 0.00 64.05 61.61 1gxh n THR 13 Cb 1.60 -0.45 0.01 0.00 -1.82 0.00 0.00 70.33 69.68 1gxh n THR 13 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1gxh h GLU 14 N 0.00 0.83 -0.71 -2.82 5.08 -0.67 0.53 114.58 116.82 1gxh h GLU 14 Ca -0.23 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 57.87 1gxh h GLU 14 Cb 1.61 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.71 1gxh h GLU 14 CO 0.03 0.77 0.17 0.35 -1.00 0.00 0.00 179.01 179.32 1gxh h PHE 15 N 0.73 1.19 -0.43 4.33 3.57 -0.90 -1.56 116.94 123.87 1gxh h PHE 15 Ca 0.17 -0.14 0.08 0.00 3.53 0.00 0.00 57.97 61.61 1gxh h PHE 15 Cb 0.30 -0.33 -0.07 0.00 2.79 0.00 0.00 35.95 38.63 1gxh h PHE 15 CO 0.02 0.97 -0.03 -0.22 -2.23 0.00 0.00 178.31 176.81 1gxh h LYS 16 N 1.07 0.07 -0.91 1.11 1.63 -1.31 -1.14 116.57 117.09 1gxh h LYS 16 Ca 0.22 -0.00 0.16 0.00 -0.85 0.00 0.00 60.65 60.18 1gxh h LYS 16 Cb 0.38 -0.02 -0.10 0.00 -0.60 0.00 0.00 32.23 31.90 1gxh h LYS 16 CO 0.00 0.05 0.51 -0.22 -3.45 0.00 0.00 179.45 176.34 1gxh h LYS 17 N 0.07 0.67 0.11 1.90 3.11 0.13 0.63 116.57 123.19 1gxh h LYS 17 Ca 0.21 -0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 58.01 1gxh h LYS 17 Cb 0.32 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 31.40 1gxh h LYS 17 CO -0.39 0.44 -0.05 0.97 -2.81 0.00 0.00 179.45 177.62 1gxh h ILE 18 N 0.69 1.00 -0.41 2.00 2.10 -0.97 -0.16 117.51 121.76 1gxh h ILE 18 Ca 0.51 -0.40 -0.07 0.00 1.08 0.00 0.00 64.86 65.97 1gxh h ILE 18 Cb 0.74 1.26 -0.02 0.00 -1.09 0.00 0.00 36.82 37.71 1gxh h ILE 18 CO -0.37 0.10 -0.05 0.40 -1.08 0.00 0.00 178.15 177.15 1gxh h ILE 19 N -0.33 1.24 0.16 2.19 1.08 0.04 -2.38 117.51 119.51 1gxh h ILE 19 Ca -0.01 -1.02 -0.24 0.00 -0.39 0.00 0.00 64.86 63.19 1gxh h ILE 19 Cb 0.27 0.98 0.03 0.00 -3.07 0.00 0.00 36.82 35.03 1gxh h ILE 19 CO 0.02 0.35 -1.05 -0.33 -0.69 0.00 0.00 178.15 176.45 1gxh h GLU 20 N 0.64 0.44 -0.44 2.37 5.08 0.16 -2.99 114.58 119.83 1gxh h GLU 20 Ca 0.12 -0.68 0.09 0.00 -1.00 0.00 0.00 59.36 57.89 1gxh h GLU 20 Cb 0.47 0.24 -0.08 0.00 0.50 0.00 0.00 28.75 29.89 1gxh h GLU 20 CO 0.02 1.31 -0.05 0.22 -1.00 0.00 0.00 179.01 179.51 1gxh h ASP 21 N -0.09 -0.29 0.75 1.42 1.82 -0.80 0.13 116.42 119.37 1gxh h ASP 21 Ca -0.18 0.12 -0.04 0.00 -0.39 0.00 0.00 57.03 56.54 1gxh h ASP 21 Cb 1.81 0.22 0.00 0.00 0.68 0.00 0.00 39.33 42.04 1gxh h ASP 21 CO 0.20 -0.10 -0.39 0.16 -1.61 0.00 0.00 179.24 177.50 1gxh h ILE 22 N 0.06 0.21 -1.00 2.25 3.07 -1.55 0.44 117.51 120.99 1gxh h ILE 22 Ca 0.21 0.00 0.06 0.00 1.55 0.00 0.00 64.86 66.69 1gxh h ILE 22 Cb 0.32 0.21 -0.07 0.00 -0.27 0.00 0.00 36.82 37.02 1gxh h ILE 22 CO -0.40 0.00 0.65 0.40 -1.05 0.00 0.00 178.15 177.74 1gxh h ILE 23 N -1.05 1.09 -0.21 0.16 1.08 -1.28 -1.98 117.51 115.32 1gxh h ILE 23 Ca -0.10 -0.40 -0.01 0.00 -0.39 0.00 0.00 64.86 63.95 1gxh h ILE 23 Cb 0.81 -0.19 -0.01 0.00 -3.07 0.00 0.00 36.82 34.36 1gxh h ILE 23 CO 0.15 0.22 0.08 0.78 -0.69 0.00 0.00 178.15 178.69 1gxh h ASN 24 N 1.18 0.29 -0.20 1.72 2.35 -0.97 -3.48 115.58 116.47 1gxh h ASN 24 Ca 0.43 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 1gxh h ASN 24 Cb 0.16 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.46 1gxh h ASN 24 CO -0.17 0.39 0.00 0.00 -1.65 0.00 0.00 177.43 176.00 1gxh n GLU 26 N -0.10 2.10 0.00 0.00 2.13 -0.36 -4.40 120.64 120.01 1gxh n GLU 26 Ca 0.00 -1.21 0.00 0.00 0.66 0.00 0.00 57.16 56.61 1gxh n GLU 26 Cb 0.03 -2.19 0.00 0.00 0.27 0.00 0.00 31.44 29.55 1gxh n GLU 26 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1gxh n GLY 27 N 3.05 -1.66 3.66 8.31 0.00 -1.26 -5.02 105.19 112.28 1gxh n GLY 27 Ca 0.45 0.59 -0.03 0.00 0.00 0.00 0.00 46.02 47.04 1gxh n GLY 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1gxh s ASP 28 N -4.00 -0.16 0.24 1.61 2.15 -1.26 -5.00 116.67 110.25 1gxh s ASP 28 Ca 0.00 -0.23 -0.05 0.00 0.43 0.00 0.00 52.55 52.71 1gxh s ASP 28 Cb 0.00 0.34 0.46 0.00 -0.30 0.00 0.00 42.92 43.42 1gxh s ASP 28 CO 0.00 -0.61 1.69 -0.33 -0.17 0.00 0.00 175.17 175.75 1gxh h GLU 29 N 2.00 0.28 0.00 4.34 5.08 -2.00 -1.79 114.58 122.49 1gxh h GLU 29 Ca -0.24 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.07 1gxh h GLU 29 Cb 1.22 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 1gxh h GLU 29 CO 0.27 0.18 -0.15 0.87 -1.00 0.00 0.00 179.01 179.18 1gxh h LYS 30 N 0.29 0.00 -0.73 2.33 1.79 -1.98 -0.12 116.57 118.14 1gxh h LYS 30 Ca 0.41 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.83 1gxh h LYS 30 Cb 0.70 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.32 1gxh h LYS 30 CO -0.50 0.15 0.23 -0.22 -1.08 0.00 0.00 179.45 178.04 1gxh h LYS 31 N 0.00 1.13 -0.06 3.15 3.11 -1.72 0.34 116.57 122.52 1gxh h LYS 31 Ca -0.00 -0.24 -0.01 0.00 -2.81 0.00 0.00 60.65 57.60 1gxh h LYS 31 Cb 0.30 -0.17 -0.00 0.00 -1.00 0.00 0.00 32.23 31.36 1gxh h LYS 31 CO 0.02 0.96 0.01 1.96 -2.81 0.00 0.00 179.45 179.59 1gxh h GLN 32 N 1.08 0.10 -0.78 1.90 4.20 -0.84 -1.49 115.11 119.28 1gxh h GLN 32 Ca 0.24 -0.03 0.14 0.00 0.06 0.00 0.00 58.65 59.06 1gxh h GLN 32 Cb 0.30 -0.01 -0.09 0.00 0.30 0.00 0.00 27.48 27.97 1gxh h GLN 32 CO -0.01 0.32 0.35 0.22 -0.67 0.00 0.00 178.83 179.04 1gxh h ASP 33 N -0.14 0.38 -0.24 1.46 1.82 -1.02 0.34 116.42 119.02 1gxh h ASP 33 Ca 0.02 0.10 -0.07 0.00 -0.39 0.00 0.00 57.03 56.69 1gxh h ASP 33 Cb 0.27 0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.33 1gxh h ASP 33 CO 0.00 0.16 -0.13 -0.78 -1.61 0.00 0.00 179.24 176.88 1gxh h ASP 34 N 0.51 0.52 -0.81 2.28 3.58 -0.88 0.05 116.42 121.67 1gxh h ASP 34 Ca 0.42 -0.42 0.12 0.00 0.42 0.00 0.00 57.03 57.58 1gxh h ASP 34 Cb 0.61 -0.14 -0.08 0.00 1.72 0.00 0.00 39.33 41.43 1gxh h ASP 34 CO -0.38 0.83 0.42 -1.13 -2.88 0.00 0.00 179.24 176.10 1gxh h ASN 35 N 0.22 0.53 -0.11 2.28 -1.24 -0.95 -3.22 115.58 113.10 1gxh h ASN 35 Ca 0.05 0.08 -0.15 0.00 0.71 0.00 0.00 56.30 56.99 1gxh h ASN 35 Cb 0.64 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.66 1gxh h ASN 35 CO 0.04 0.26 -0.45 -0.07 -1.29 0.00 0.00 177.43 175.92 1gxh h LEU 36 N 0.65 0.71 -0.12 0.34 3.38 0.17 0.46 115.31 120.89 1gxh h LEU 36 Ca 0.42 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 58.10 1gxh h LEU 36 Cb 0.52 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 1gxh h LEU 36 CO -0.32 1.05 -0.17 -0.08 0.09 0.00 0.00 178.44 179.02 1gxh h GLU 37 N 0.53 -0.21 -0.34 1.13 4.22 -1.53 -2.16 114.58 116.22 1gxh h GLU 37 Ca 0.03 0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.49 1gxh h GLU 37 Cb 0.99 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 1gxh h GLU 37 CO 0.09 -0.14 0.21 1.25 -2.18 0.00 0.00 179.01 178.24 1gxh h HIS 38 N -0.22 0.45 0.00 0.92 2.76 -0.94 0.20 115.15 118.32 1gxh h HIS 38 Ca 0.09 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 1gxh h HIS 38 Cb 0.35 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.16 1gxh h HIS 38 CO -0.27 0.31 0.09 0.34 -1.30 0.00 0.00 177.93 177.10 1gxh n PHE 39 N -4.82 0.57 -0.09 5.26 7.35 0.14 -0.74 117.46 125.13 1gxh n PHE 39 Ca -0.01 0.30 -0.14 0.00 -0.76 0.00 0.00 57.45 56.84 1gxh n PHE 39 Cb 0.05 -0.91 -0.08 0.00 0.35 0.00 0.00 39.48 38.89 1gxh n PHE 39 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1gxh h ILE 40 N 0.00 0.67 0.00 -2.13 5.03 -0.33 -3.40 117.51 117.34 1gxh h ILE 40 Ca 0.00 -1.76 -0.02 0.00 -0.12 0.00 0.00 64.86 62.96 1gxh h ILE 40 Cb 0.18 1.52 -0.00 0.00 -3.03 0.00 0.00 36.82 35.49 1gxh h ILE 40 CO 0.00 0.23 -0.09 0.28 -0.68 0.00 0.00 178.15 177.89 1gxh h SER 41 N -1.00 0.00 0.00 1.72 0.02 0.15 -3.19 113.55 111.24 1gxh h SER 41 Ca -0.18 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.40 1gxh h SER 41 Cb 0.94 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.41 1gxh h SER 41 CO -0.11 0.09 -2.39 0.55 -1.14 0.00 0.00 176.83 173.83 1gxh n VAL 42 N -3.16 1.39 -0.52 2.27 3.14 0.08 -4.87 118.33 116.65 1gxh n VAL 42 Ca 0.02 -0.61 -0.21 0.00 -2.96 0.00 0.00 64.34 60.58 1gxh n VAL 42 Cb 0.45 -1.16 0.19 0.00 -1.06 0.00 0.00 33.84 32.26 1gxh n VAL 42 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 1gxh n THR 43 N -3.10 0.00 -1.33 1.55 -1.04 -1.21 -0.97 114.28 108.18 1gxh n THR 43 Ca -0.41 -0.17 0.04 0.00 -2.04 0.00 0.00 64.05 61.47 1gxh n THR 43 Cb 1.01 -0.93 0.06 0.00 -1.82 0.00 0.00 70.33 68.64 1gxh n THR 43 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1gxh n GLU 44 N -4.28 0.81 -2.09 -2.82 1.02 -1.26 -4.90 120.64 107.13 1gxh n GLU 44 Ca 0.10 -1.63 -0.43 0.00 -0.02 0.00 0.00 57.16 55.18 1gxh n GLU 44 Cb 0.42 -0.95 -0.03 0.00 -0.02 0.00 0.00 31.44 30.86 1gxh n GLU 44 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1gxh s HIS 45 N -1.25 1.98 -1.02 -0.32 2.46 -1.26 -4.86 115.29 111.00 1gxh s HIS 45 Ca 0.13 0.62 0.21 0.00 0.47 0.00 0.00 55.06 56.49 1gxh s HIS 45 Cb 0.11 -4.16 0.92 0.00 -0.13 0.00 0.00 32.58 29.33 1gxh s HIS 45 CO 0.01 -2.74 1.69 -0.35 -2.47 0.00 0.00 174.74 170.88 1gxh n PRO 46 N 8.26 0.02 -0.03 2.88 -0.04 -1.26 -3.38 135.00 141.44 1gxh n PRO 46 Ca 0.21 0.13 -0.10 0.00 -0.04 0.00 0.00 63.50 63.70 1gxh n PRO 46 Cb 0.47 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.34 1gxh n PRO 46 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1gxh h SER 47 N 0.00 -0.04 -4.31 3.54 4.64 -1.99 -3.51 113.55 111.88 1gxh h SER 47 Ca 0.00 -0.57 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 1gxh h SER 47 Cb 0.36 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1gxh h SER 47 CO 0.00 0.71 -0.82 0.61 -0.87 0.00 0.00 176.83 176.46 1gxh n GLY 48 N 1.37 -5.23 4.66 -0.77 0.00 -1.22 -4.72 105.19 99.29 1gxh n GLY 48 Ca -0.07 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1gxh n GLY 48 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1gxh n SER 49 N 1.59 0.00 -0.15 1.61 2.88 -1.26 -4.70 113.62 113.59 1gxh n SER 49 Ca 0.00 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.62 1gxh n SER 49 Cb 0.00 -0.57 0.39 0.00 -0.75 0.00 0.00 64.21 63.28 1gxh n SER 49 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 1gxh h ASP 50 N 0.00 0.58 0.17 -3.46 2.03 -1.94 0.43 116.42 114.23 1gxh h ASP 50 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1gxh h ASP 50 Cb 0.00 -0.12 0.00 0.00 -0.83 0.00 0.00 39.33 38.38 1gxh h ASP 50 CO 0.00 0.37 0.00 0.18 -1.03 0.00 0.00 179.24 178.76 1gxh n LEU 51 N -4.48 0.18 -0.00 0.15 4.32 -1.26 -0.93 117.00 114.98 1gxh n LEU 51 Ca 0.10 0.57 -0.01 0.00 -0.02 0.00 0.00 56.01 56.66 1gxh n LEU 51 Cb 0.26 -0.58 -0.00 0.00 -1.62 0.00 0.00 43.42 41.47 1gxh n LEU 51 CO 0.34 -0.55 -0.52 -0.38 -1.22 0.00 0.00 177.39 175.06 1gxh n ILE 52 N -1.73 0.03 0.01 -0.08 5.41 -0.73 -4.55 119.36 117.73 1gxh n ILE 52 Ca 0.01 -0.01 0.11 0.00 1.00 0.00 0.00 62.75 63.85 1gxh n ILE 52 Cb 0.06 -1.17 -0.14 0.00 -0.71 0.00 0.00 39.64 37.68 1gxh n ILE 52 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1gxh n TYR 53 N -2.85 0.20 -2.50 1.39 4.01 0.06 -4.55 117.16 112.93 1gxh n TYR 53 Ca -0.01 0.06 -0.11 0.00 -0.16 0.00 0.00 57.90 57.68 1gxh n TYR 53 Cb 0.51 -0.60 0.04 0.00 -0.31 0.00 0.00 39.34 38.97 1gxh n TYR 53 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1gxh n TYR 54 N -2.36 1.91 -2.56 -0.72 4.01 -0.11 -5.03 117.16 112.31 1gxh n TYR 54 Ca -0.04 -2.23 -0.34 0.00 -0.16 0.00 0.00 57.90 55.14 1gxh n TYR 54 Cb 0.58 -0.28 -0.04 0.00 -0.31 0.00 0.00 39.34 39.30 1gxh n TYR 54 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1gxh s PRO 55 N -3.69 3.84 0.33 -0.72 0.04 -1.15 -4.80 135.00 128.85 1gxh s PRO 55 Ca 0.37 1.32 -0.18 0.00 0.04 0.00 0.00 61.00 62.55 1gxh s PRO 55 Cb 0.36 -2.10 0.06 0.00 0.04 0.00 0.00 34.50 32.86 1gxh s PRO 55 CO -0.01 -0.39 0.83 -1.83 0.04 0.00 0.00 177.00 175.64 1gxh s GLU 56 N -3.28 2.01 3.59 4.56 -1.05 -1.22 -4.86 118.70 118.44 1gxh s GLU 56 Ca 0.66 -1.27 0.00 0.00 -0.15 0.00 0.00 54.97 54.21 1gxh s GLU 56 Cb -0.15 0.57 0.00 0.00 -0.44 0.00 0.00 34.13 34.11 1gxh s GLU 56 CO 0.20 -0.94 0.00 0.41 0.95 0.00 0.00 175.26 175.88 1gxh n GLY 57 N -0.55 1.75 0.21 -3.83 0.00 -1.26 -1.40 105.19 100.10 1gxh n GLY 57 Ca -0.07 -0.30 0.15 0.00 0.00 0.00 0.00 46.02 45.80 1gxh n GLY 57 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1gxh h ASN 58 N 0.00 0.00 -3.46 1.61 -1.24 -2.02 -3.45 115.58 107.03 1gxh h ASN 58 Ca 0.00 0.00 -0.72 0.00 0.71 0.00 0.00 56.30 56.29 1gxh h ASN 58 Cb 0.00 0.00 -0.25 0.00 0.73 0.00 0.00 38.32 38.80 1gxh h ASN 58 CO 0.00 0.00 -0.44 0.21 -1.29 0.00 0.00 177.43 175.91 1gxh s ASN 59 N -5.21 5.83 0.00 1.15 2.47 -0.50 -4.92 114.94 113.76 1gxh s ASN 59 Ca 0.04 -1.27 0.20 0.00 0.42 0.00 0.00 52.86 52.25 1gxh s ASN 59 Cb 0.09 -2.06 1.16 0.00 -1.45 0.00 0.00 41.25 38.99 1gxh s ASN 59 CO 0.52 -0.52 1.60 -0.90 -3.72 0.00 0.00 177.10 174.08 1gxh n ASP 60 N 5.03 0.00 0.00 -4.21 5.75 -1.26 -3.46 116.55 118.40 1gxh n ASP 60 Ca -0.11 -0.48 0.00 0.00 -0.01 0.00 0.00 54.79 54.19 1gxh n ASP 60 Cb 0.44 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 1gxh n ASP 60 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1gxh n GLY 61 N 0.29 0.57 3.78 6.12 0.00 -1.26 -5.02 105.19 109.67 1gxh n GLY 61 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 1gxh n GLY 61 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1gxh s SER 62 N -2.42 5.98 0.57 1.61 0.15 -1.26 -4.92 113.70 113.40 1gxh s SER 62 Ca 0.00 2.19 0.26 0.00 0.70 0.00 0.00 55.95 59.10 1gxh s SER 62 Cb 0.00 -2.59 1.55 0.00 -1.71 0.00 0.00 66.02 63.27 1gxh s SER 62 CO 0.00 -1.04 2.09 1.55 1.20 0.00 0.00 173.24 177.04 1gxh h PRO 63 N 1.58 0.00 -0.33 5.44 0.13 -1.96 0.18 132.00 137.05 1gxh h PRO 63 Ca -0.50 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.67 1gxh h PRO 63 Cb 1.25 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 1gxh h PRO 63 CO 0.58 0.00 0.10 0.93 -0.23 0.00 0.00 178.00 179.38 1gxh h GLU 64 N 0.00 0.22 0.00 0.86 4.39 -1.95 -2.15 114.58 115.96 1gxh h GLU 64 Ca 0.11 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.73 1gxh h GLU 64 Cb 0.51 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1gxh h GLU 64 CO -0.00 0.15 -0.30 0.00 -1.16 0.00 0.00 179.01 177.70 1gxh h ALA 65 N 1.22 1.23 -0.50 3.43 0.00 -1.33 -2.55 119.26 120.76 1gxh h ALA 65 Ca 0.15 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1gxh h ALA 65 Cb 0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1gxh h ALA 65 CO -0.17 0.38 0.07 0.28 0.00 0.00 0.00 179.25 179.81 1gxh h VAL 66 N 0.00 1.25 -0.60 0.00 2.07 -1.15 0.03 116.25 117.85 1gxh h VAL 66 Ca -0.00 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.57 1gxh h VAL 66 Cb 0.64 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1gxh h VAL 66 CO 0.04 0.34 0.39 0.40 0.02 0.00 0.00 177.57 178.76 1gxh h ILE 67 N 0.71 1.16 -0.14 4.57 5.03 -1.07 0.11 117.51 127.88 1gxh h ILE 67 Ca 0.15 -0.31 0.05 0.00 -0.12 0.00 0.00 64.86 64.63 1gxh h ILE 67 Cb 0.41 0.29 -0.06 0.00 -3.03 0.00 0.00 36.82 34.44 1gxh h ILE 67 CO 0.01 0.16 -0.25 0.11 -0.68 0.00 0.00 178.15 177.50 1gxh h LYS 68 N 0.81 -0.30 0.00 2.37 1.57 -1.27 0.12 116.57 119.87 1gxh h LYS 68 Ca 0.22 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.99 1gxh h LYS 68 Cb -0.08 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 1gxh h LYS 68 CO -0.05 -0.20 -0.14 0.93 -0.57 0.00 0.00 179.45 179.43 1gxh h GLU 69 N -0.31 0.00 0.11 3.15 3.07 0.01 0.35 114.58 120.97 1gxh h GLU 69 Ca 0.10 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.96 1gxh h GLU 69 Cb 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 1gxh h GLU 69 CO -0.32 0.14 -0.05 0.82 -1.40 0.00 0.00 179.01 178.20 1gxh h ILE 70 N 0.00 0.04 -0.67 3.13 1.08 -0.30 0.11 117.51 120.91 1gxh h ILE 70 Ca -0.00 -0.91 0.11 0.00 -0.39 0.00 0.00 64.86 63.67 1gxh h ILE 70 Cb 0.50 0.07 -0.12 0.00 -3.07 0.00 0.00 36.82 34.19 1gxh h ILE 70 CO 0.02 0.01 -0.35 0.11 -0.69 0.00 0.00 178.15 177.25 1gxh h LYS 71 N -1.04 -0.13 0.00 2.37 1.57 -0.89 -0.46 116.57 117.99 1gxh h LYS 71 Ca -0.02 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1gxh h LYS 71 Cb 0.14 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1gxh h LYS 71 CO 0.03 -0.09 -0.64 -1.91 -0.57 0.00 0.00 179.45 176.27 1gxh n GLU 72 N -5.44 0.20 0.07 3.15 4.07 0.12 0.05 120.64 122.86 1gxh n GLU 72 Ca 0.05 0.05 -0.13 0.00 -0.06 0.00 0.00 57.16 57.07 1gxh n GLU 72 Cb 0.36 -1.61 -0.09 0.00 -0.06 0.00 0.00 31.44 30.04 1gxh n GLU 72 CO 0.00 0.00 0.00 2.35 -0.06 0.00 0.00 177.13 179.42 1gxh h TRP 73 N 0.00 -0.18 -0.70 4.31 7.01 -0.56 0.47 115.95 126.29 1gxh h TRP 73 Ca 0.00 -0.00 0.11 0.00 2.11 0.00 0.00 58.89 61.10 1gxh h TRP 73 Cb 0.67 0.06 -0.05 0.00 -2.10 0.00 0.00 29.16 27.74 1gxh h TRP 73 CO 0.00 0.19 0.46 0.00 -2.79 0.00 0.00 178.44 176.30 1gxh h ARG 74 N -0.60 0.52 0.00 2.65 2.47 -0.71 0.26 114.38 118.98 1gxh h ARG 74 Ca -0.02 -0.03 -0.13 0.00 -1.26 0.00 0.00 59.98 58.54 1gxh h ARG 74 Cb 0.45 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.64 1gxh h ARG 74 CO 0.03 0.35 -0.60 0.00 0.56 0.00 0.00 179.97 180.30 1gxh h ALA 75 N 1.65 0.72 -0.07 0.04 0.00 -0.20 0.11 119.26 121.51 1gxh h ALA 75 Ca 0.33 -0.55 -0.18 0.00 0.00 0.00 0.00 54.91 54.51 1gxh h ALA 75 Cb 0.55 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1gxh h ALA 75 CO -0.11 0.76 -0.73 0.00 0.00 0.00 0.00 179.25 179.17 1gxh h ALA 76 N 1.40 0.62 0.00 0.00 0.00 0.53 -3.29 119.26 118.51 1gxh h ALA 76 Ca -0.01 -0.61 -0.05 0.00 0.00 0.00 0.00 54.91 54.24 1gxh h ALA 76 Cb 1.31 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1gxh h ALA 76 CO 0.08 0.77 -0.26 -0.91 0.00 0.00 0.00 179.25 178.93 1gxh h ASN 77 N 0.25 0.00 0.00 0.00 2.35 -0.62 -3.46 115.58 114.10 1gxh h ASN 77 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1gxh h ASN 77 Cb 1.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.67 1gxh h ASN 77 CO 0.12 0.26 0.00 0.61 -1.65 0.00 0.00 177.43 176.77 1gxh n GLY 78 N 0.98 -0.03 0.00 2.83 0.00 0.23 -5.07 105.19 104.14 1gxh n GLY 78 Ca 0.02 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1gxh n GLY 78 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1gxh n LYS 79 N 0.00 0.00 -3.23 1.61 5.02 -0.29 -4.76 118.16 116.51 1gxh n LYS 79 Ca 0.00 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.12 1gxh n LYS 79 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 1gxh n LYS 79 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1gxh s SER 80 N 0.00 0.63 0.00 4.39 0.01 -1.26 -4.92 113.70 112.55 1gxh s SER 80 Ca 0.00 -2.16 0.00 0.00 1.31 0.00 0.00 55.95 55.10 1gxh s SER 80 Cb 0.00 0.52 0.00 0.00 0.21 0.00 0.00 66.02 66.75 1gxh s SER 80 CO 0.00 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.08 1gxh n GLY 81 N 3.42 0.25 0.00 3.44 0.00 -1.26 -4.85 105.19 106.19 1gxh n GLY 81 Ca 0.20 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.45 1gxh n GLY 81 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1gxh n PHE 82 N 0.00 -0.51 -0.99 1.61 3.72 -1.26 -4.41 117.46 115.62 1gxh n PHE 82 Ca 0.00 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.03 1gxh n PHE 82 Cb 0.00 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.58 1gxh n PHE 82 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1gxh n LYS 83 N 0.00 -0.05 -0.74 -1.08 3.00 -1.16 -4.75 118.16 113.37 1gxh n LYS 83 Ca 0.00 -0.01 -0.19 0.00 -0.00 0.00 0.00 58.31 58.10 1gxh n LYS 83 Cb 0.00 -1.04 -0.04 0.00 0.00 0.00 0.00 35.03 33.95 1gxh n LYS 83 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1gxh n GLN 84 N 2.27 1.98 0.00 1.64 7.27 -1.26 -4.78 117.38 124.51 1gxh n GLN 84 Ca -0.02 -1.30 0.00 0.00 0.07 0.00 0.00 57.00 55.76 1gxh n GLN 84 Cb 0.64 -2.31 0.00 0.00 2.41 0.00 0.00 30.24 30.98 1gxh n GLN 84 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54