#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 3.08 -1.63 0.03 4.71 -1.26 -4.96 120.64 120.61 1gxh n GLU 2 Ca 0.00 -2.99 -0.29 0.00 -0.01 0.00 0.00 57.16 53.87 1gxh n GLU 2 Cb 0.00 -2.28 0.11 0.00 -1.01 0.00 0.00 31.44 28.27 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 -2.79 2.25 -0.13 -4.62 1.43 -1.26 -4.94 118.68 108.62 1gxh s LEU 3 Ca 0.55 0.99 -0.35 0.00 -1.03 0.00 0.00 54.13 54.29 1gxh s LEU 3 Cb 0.35 -3.42 -0.12 0.00 0.03 0.00 0.00 46.19 43.03 1gxh s LEU 3 CO -0.24 -2.26 1.88 0.29 0.23 0.00 0.00 176.35 176.25 1gxh n LYS 4 N -3.58 2.02 0.00 1.70 5.02 -1.26 -4.81 118.16 117.25 1gxh n LYS 4 Ca 0.07 0.73 0.07 0.00 -2.02 0.00 0.00 58.31 57.17 1gxh n LYS 4 Cb 0.59 -2.58 0.34 0.00 -0.02 0.00 0.00 35.03 33.36 1gxh n LYS 4 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1gxh n ASN 5 N 6.68 0.00 -3.63 4.39 5.03 -1.26 -4.76 115.26 121.71 1gxh n ASN 5 Ca 0.24 0.29 -0.07 0.00 0.87 0.00 0.00 54.58 55.91 1gxh n ASN 5 Cb 0.27 -0.40 -0.02 0.00 -1.02 0.00 0.00 39.78 38.62 1gxh n ASN 5 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1gxh s SER 6 N -2.79 -0.31 0.41 6.41 0.01 -1.26 -5.01 113.70 111.15 1gxh s SER 6 Ca 0.10 -0.24 0.12 0.00 1.31 0.00 0.00 55.95 57.25 1gxh s SER 6 Cb 0.10 0.51 0.94 0.00 0.21 0.00 0.00 66.02 67.78 1gxh s SER 6 CO 0.25 -0.89 1.94 0.40 0.41 0.00 0.00 173.24 175.35 1gxh h ILE 7 N 2.00 0.89 0.00 1.44 1.08 -1.86 -0.57 117.51 120.49 1gxh h ILE 7 Ca -0.24 -0.18 0.00 0.00 -0.39 0.00 0.00 64.86 64.05 1gxh h ILE 7 Cb 1.25 0.32 0.00 0.00 -3.07 0.00 0.00 36.82 35.32 1gxh h ILE 7 CO 0.29 0.10 0.00 -1.28 -0.69 0.00 0.00 178.15 176.56 1gxh h SER 8 N 0.52 0.00 1.22 1.72 0.87 -1.87 -2.10 113.55 113.91 1gxh h SER 8 Ca 0.33 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.75 1gxh h SER 8 Cb 0.59 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.53 1gxh h SER 8 CO -0.11 0.00 -0.80 -0.78 -0.53 0.00 0.00 176.83 174.61 1gxh h ASP 9 N 0.00 0.00 -0.62 6.23 3.58 -1.52 -3.40 116.42 120.69 1gxh h ASP 9 Ca 0.00 0.00 -0.42 0.00 0.42 0.00 0.00 57.03 57.03 1gxh h ASP 9 Cb 0.70 0.00 -0.12 0.00 1.72 0.00 0.00 39.33 41.63 1gxh h ASP 9 CO 0.00 0.65 0.55 -1.22 -2.88 0.00 0.00 179.24 176.35 1gxh n TYR 10 N -3.20 1.18 -0.53 0.28 4.01 -0.71 -4.95 117.16 113.24 1gxh n TYR 10 Ca -0.01 -1.95 -0.17 0.00 -0.16 0.00 0.00 57.90 55.61 1gxh n TYR 10 Cb 0.81 -1.58 -0.00 0.00 -0.31 0.00 0.00 39.34 38.26 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 1.73 0.29 -0.35 -0.72 -2.24 -1.26 -3.22 114.28 108.51 1gxh n THR 11 Ca 0.50 -0.20 0.28 0.00 -2.27 0.00 0.00 64.05 62.36 1gxh n THR 11 Cb 0.63 0.00 0.53 0.00 -2.10 0.00 0.00 70.33 69.39 1gxh n THR 11 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1gxh h GLU 12 N 0.14 0.22 0.12 -0.78 3.07 -1.19 0.50 114.58 116.66 1gxh h GLU 12 Ca -0.15 -0.01 -0.28 0.00 -0.50 0.00 0.00 59.36 58.42 1gxh h GLU 12 Cb 0.58 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.44 1gxh h GLU 12 CO 0.19 0.15 -1.33 1.15 -1.40 0.00 0.00 179.01 177.77 1gxh h THR 13 N 0.23 1.39 -0.37 1.13 2.02 -1.84 -2.67 112.91 112.79 1gxh h THR 13 Ca 0.76 -3.00 -0.14 0.00 0.77 0.00 0.00 66.41 64.81 1gxh h THR 13 Cb 1.93 2.88 -0.01 0.00 -1.74 0.00 0.00 68.15 71.20 1gxh h THR 13 CO -0.59 0.87 -0.32 -0.33 0.37 0.00 0.00 175.52 175.52 1gxh h GLU 14 N 0.07 0.83 -0.34 6.66 5.08 -0.36 -0.51 114.58 126.00 1gxh h GLU 14 Ca -0.16 -0.39 -0.06 0.00 -1.00 0.00 0.00 59.36 57.74 1gxh h GLU 14 Cb 1.98 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 31.20 1gxh h GLU 14 CO 0.19 1.02 -0.06 0.35 -1.00 0.00 0.00 179.01 179.51 1gxh h PHE 15 N 0.69 0.60 0.00 4.33 3.57 -0.94 -1.92 116.94 123.28 1gxh h PHE 15 Ca 0.07 -0.08 0.03 0.00 3.53 0.00 0.00 57.97 61.53 1gxh h PHE 15 Cb 0.87 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.40 1gxh h PHE 15 CO 0.05 0.62 -0.26 -0.22 -2.23 0.00 0.00 178.31 176.27 1gxh h LYS 16 N 0.53 -0.39 -0.95 1.11 1.63 -1.16 -1.43 116.57 115.92 1gxh h LYS 16 Ca 0.10 0.03 0.20 0.00 -0.85 0.00 0.00 60.65 60.13 1gxh h LYS 16 Cb 0.43 0.09 -0.11 0.00 -0.60 0.00 0.00 32.23 32.04 1gxh h LYS 16 CO 0.02 -0.26 0.53 -0.22 -3.45 0.00 0.00 179.45 176.07 1gxh h LYS 17 N -0.40 0.61 0.83 1.90 3.11 -0.29 0.49 116.57 122.83 1gxh h LYS 17 Ca 0.06 -0.04 -0.04 0.00 -2.81 0.00 0.00 60.65 57.82 1gxh h LYS 17 Cb 0.48 -0.14 0.01 0.00 -1.00 0.00 0.00 32.23 31.58 1gxh h LYS 17 CO -0.23 0.41 -0.40 0.97 -2.81 0.00 0.00 179.45 177.39 1gxh h ILE 18 N 0.63 0.07 -0.24 2.00 2.10 -1.20 -1.70 117.51 119.17 1gxh h ILE 18 Ca 0.56 -0.15 -0.02 0.00 1.08 0.00 0.00 64.86 66.33 1gxh h ILE 18 Cb 0.93 0.08 -0.01 0.00 -1.09 0.00 0.00 36.82 36.73 1gxh h ILE 18 CO -0.42 0.01 0.05 0.40 -1.08 0.00 0.00 178.15 177.10 1gxh h ILE 19 N -1.25 1.12 0.29 2.19 1.08 0.01 -1.20 117.51 119.75 1gxh h ILE 19 Ca -0.11 -0.44 -0.01 0.00 -0.39 0.00 0.00 64.86 63.90 1gxh h ILE 19 Cb 0.86 0.89 0.00 0.00 -3.07 0.00 0.00 36.82 35.50 1gxh h ILE 19 CO 0.19 0.16 -0.14 -0.08 -0.69 0.00 0.00 178.15 177.58 1gxh h GLU 20 N 0.34 -0.37 -1.00 2.37 4.81 -0.17 -2.96 114.58 117.60 1gxh h GLU 20 Ca 0.08 0.03 0.18 0.00 -0.13 0.00 0.00 59.36 59.51 1gxh h GLU 20 Cb 0.15 0.08 -0.10 0.00 0.63 0.00 0.00 28.75 29.51 1gxh h GLU 20 CO -0.00 -0.10 0.62 0.22 -0.73 0.00 0.00 179.01 179.02 1gxh h ASP 21 N -0.62 0.80 0.24 1.04 3.58 -0.25 0.51 116.42 121.72 1gxh h ASP 21 Ca -0.04 0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.49 1gxh h ASP 21 Cb 0.44 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.40 1gxh h ASP 21 CO 0.06 0.32 -0.39 0.40 -2.88 0.00 0.00 179.24 176.75 1gxh h ILE 22 N 0.80 0.00 -0.44 2.25 2.04 -1.49 0.19 117.51 120.87 1gxh h ILE 22 Ca 0.56 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 66.34 1gxh h ILE 22 Cb 0.82 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 1gxh h ILE 22 CO -0.35 0.00 -0.03 0.40 0.00 0.00 0.00 178.15 178.17 1gxh h ILE 23 N -0.66 1.24 -0.59 -0.67 2.04 -0.80 -1.53 117.51 116.53 1gxh h ILE 23 Ca -0.03 -1.01 -0.09 0.00 1.00 0.00 0.00 64.86 64.73 1gxh h ILE 23 Cb 0.61 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1gxh h ILE 23 CO -0.13 0.35 0.02 0.78 0.00 0.00 0.00 178.15 179.17 1gxh h ASN 24 N 0.68 1.00 -5.06 1.72 2.35 -1.12 -3.49 115.58 111.66 1gxh h ASN 24 Ca 0.13 -0.30 -0.12 0.00 -0.55 0.00 0.00 56.30 55.46 1gxh h ASN 24 Cb 0.47 -0.27 0.10 0.00 0.05 0.00 0.00 38.32 38.67 1gxh h ASN 24 CO 0.02 1.05 -0.43 0.00 -1.65 0.00 0.00 177.43 176.43 1gxh s GLU 26 N -3.69 1.98 0.00 0.00 2.12 -1.16 -4.43 118.70 113.53 1gxh s GLU 26 Ca 0.23 -0.28 0.00 0.00 0.36 0.00 0.00 54.97 55.28 1gxh s GLU 26 Cb -0.03 -5.00 0.00 0.00 0.26 0.00 0.00 34.13 29.36 1gxh s GLU 26 CO 0.63 -4.25 0.00 0.41 -0.54 0.00 0.00 175.26 171.51 1gxh n GLY 27 N 6.48 1.98 3.58 -1.50 0.00 -1.26 -4.95 105.19 109.52 1gxh n GLY 27 Ca 0.43 -0.47 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.30 -0.41 0.29 1.61 -1.08 -1.26 -5.07 116.67 109.45 1gxh s ASP 28 Ca 0.00 0.47 0.03 0.00 -0.52 0.00 0.00 52.55 52.53 1gxh s ASP 28 Cb 0.00 0.37 0.67 0.00 -1.46 0.00 0.00 42.92 42.50 1gxh s ASP 28 CO 0.00 -0.36 1.75 -0.33 0.52 0.00 0.00 175.17 176.76 1gxh h GLU 29 N 2.73 0.62 -0.45 4.34 3.07 -1.96 -2.20 114.58 120.73 1gxh h GLU 29 Ca -0.20 -0.04 0.03 0.00 -0.50 0.00 0.00 59.36 58.65 1gxh h GLU 29 Cb 1.16 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.91 1gxh h GLU 29 CO 0.31 0.41 0.30 0.87 -1.40 0.00 0.00 179.01 179.49 1gxh h LYS 30 N 0.64 0.48 -0.54 2.33 1.57 -1.98 0.10 116.57 119.17 1gxh h LYS 30 Ca 0.54 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 59.26 1gxh h LYS 30 Cb 0.85 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 1gxh h LYS 30 CO -0.41 0.32 0.22 -0.22 -0.57 0.00 0.00 179.45 178.79 1gxh h LYS 31 N 0.49 0.80 -0.29 3.15 3.11 -1.76 0.50 116.57 122.58 1gxh h LYS 31 Ca 0.18 -0.14 -0.01 0.00 -2.81 0.00 0.00 60.65 57.87 1gxh h LYS 31 Cb 0.11 -0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 31.20 1gxh h LYS 31 CO -0.04 0.70 0.14 1.96 -2.81 0.00 0.00 179.45 179.39 1gxh h GLN 32 N 0.73 0.42 -0.95 1.90 4.20 -1.01 -2.87 115.11 117.53 1gxh h GLN 32 Ca 0.18 -0.06 0.10 0.00 0.06 0.00 0.00 58.65 58.92 1gxh h GLN 32 Cb 0.19 -0.07 -0.08 0.00 0.30 0.00 0.00 27.48 27.82 1gxh h GLN 32 CO -0.02 0.40 0.59 0.22 -0.67 0.00 0.00 178.83 179.36 1gxh h ASP 33 N 0.33 0.89 0.09 1.46 3.58 -0.52 0.38 116.42 122.63 1gxh h ASP 33 Ca 0.10 0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.58 1gxh h ASP 33 Cb 0.12 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.03 1gxh h ASP 33 CO -0.01 0.51 -0.04 -0.78 -2.88 0.00 0.00 179.24 176.04 1gxh h ASP 34 N 0.99 -0.10 -0.88 2.28 1.82 -0.91 -0.77 116.42 118.84 1gxh h ASP 34 Ca 0.45 -0.07 0.08 0.00 -0.39 0.00 0.00 57.03 57.09 1gxh h ASP 34 Cb 0.35 0.03 -0.07 0.00 0.68 0.00 0.00 39.33 40.32 1gxh h ASP 34 CO -0.23 0.01 0.54 -1.13 -1.61 0.00 0.00 179.24 176.82 1gxh h ASN 35 N -0.20 0.82 -0.20 2.28 -0.00 -1.18 -2.13 115.58 114.96 1gxh h ASN 35 Ca -0.01 0.03 -0.02 0.00 -0.00 0.00 0.00 56.30 56.29 1gxh h ASN 35 Cb 0.17 -0.14 -0.01 0.00 -0.00 0.00 0.00 38.32 38.34 1gxh h ASN 35 CO 0.02 0.50 0.04 -0.07 -0.00 0.00 0.00 177.43 177.92 1gxh h LEU 36 N 0.94 0.32 -0.64 0.34 3.38 0.11 0.48 115.31 120.25 1gxh h LEU 36 Ca 0.40 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 58.16 1gxh h LEU 36 Cb 0.26 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1gxh h LEU 36 CO -0.21 0.49 0.37 -0.08 0.09 0.00 0.00 178.44 179.11 1gxh h GLU 37 N 0.14 0.70 -0.79 1.13 4.81 -1.31 -2.04 114.58 117.22 1gxh h GLU 37 Ca 0.06 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1gxh h GLU 37 Cb 0.30 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.48 1gxh h GLU 37 CO 0.00 0.46 0.50 1.25 -0.73 0.00 0.00 179.01 180.50 1gxh h HIS 38 N 0.72 0.94 0.00 0.92 2.76 -0.43 0.69 115.15 120.75 1gxh h HIS 38 Ca 0.27 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.46 1gxh h HIS 38 Cb 0.09 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 28.74 1gxh h HIS 38 CO -0.06 0.54 0.00 0.35 -1.30 0.00 0.00 177.93 177.46 1gxh h PHE 39 N 0.98 0.00 0.08 5.26 3.57 0.29 0.19 116.94 127.31 1gxh h PHE 39 Ca 0.31 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.81 1gxh h PHE 39 Cb 0.01 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.75 1gxh h PHE 39 CO -0.03 0.00 -0.04 0.82 -2.23 0.00 0.00 178.31 176.83 1gxh h ILE 40 N 0.00 1.02 0.55 1.41 5.03 -0.49 -3.39 117.51 121.63 1gxh h ILE 40 Ca 0.00 -1.46 -0.03 0.00 -0.12 0.00 0.00 64.86 63.25 1gxh h ILE 40 Cb 0.29 1.81 0.01 0.00 -3.03 0.00 0.00 36.82 35.90 1gxh h ILE 40 CO 0.00 0.30 -0.26 -1.28 -0.68 0.00 0.00 178.15 176.23 1gxh h SER 41 N -0.90 -0.62 0.32 1.72 0.87 0.15 -0.55 113.55 114.54 1gxh h SER 41 Ca -0.01 -0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.48 1gxh h SER 41 Cb 0.58 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.69 1gxh h SER 41 CO 0.02 -0.38 -0.25 -0.37 -0.53 0.00 0.00 176.83 175.32 1gxh h VAL 42 N -0.83 1.06 0.12 2.23 -1.51 -1.41 -3.31 116.25 112.60 1gxh h VAL 42 Ca -0.07 -0.89 -0.32 0.00 -1.23 0.00 0.00 66.70 64.19 1gxh h VAL 42 Cb 0.60 1.50 -0.01 0.00 -2.13 0.00 0.00 31.29 31.25 1gxh h VAL 42 CO 0.12 0.25 -1.61 0.74 -1.23 0.00 0.00 177.57 175.84 1gxh h THR 43 N 0.00 1.07 0.00 7.19 2.02 -1.62 -3.33 112.91 118.23 1gxh h THR 43 Ca -0.00 -2.71 0.00 0.00 0.77 0.00 0.00 66.41 64.46 1gxh h THR 43 Cb 0.48 2.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.61 1gxh h THR 43 CO 0.03 0.81 0.00 -0.62 0.37 0.00 0.00 175.52 176.11 1gxh n GLU 44 N -3.45 -0.50 -2.21 6.66 1.02 -0.26 -4.95 120.64 116.94 1gxh n GLU 44 Ca -0.19 0.13 -0.42 0.00 -0.02 0.00 0.00 57.16 56.66 1gxh n GLU 44 Cb 1.05 -4.56 -0.03 0.00 -0.02 0.00 0.00 31.44 27.88 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 -1.09 2.86 0.17 -0.32 2.46 -1.26 -4.93 115.29 113.19 1gxh s HIS 45 Ca 0.00 0.81 -0.20 0.00 0.47 0.00 0.00 55.06 56.14 1gxh s HIS 45 Cb 0.00 -3.67 0.09 0.00 -0.13 0.00 0.00 32.58 28.87 1gxh s HIS 45 CO 0.00 -2.49 1.62 -1.35 -2.47 0.00 0.00 174.74 170.06 1gxh h PRO 46 N 7.79 -0.16 -0.95 2.88 0.11 -1.94 -0.14 132.00 139.59 1gxh h PRO 46 Ca -0.38 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1gxh h PRO 46 Cb 1.18 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1gxh h PRO 46 CO 0.90 -0.11 0.00 0.43 -0.21 0.00 0.00 178.00 179.01 1gxh n SER 47 N -5.39 1.39 -4.62 -2.05 7.64 -1.26 -4.88 113.62 104.45 1gxh n SER 47 Ca 0.02 -1.77 -0.56 0.00 1.01 0.00 0.00 58.87 57.57 1gxh n SER 47 Cb 0.31 -0.44 -0.07 0.00 -1.01 0.00 0.00 64.21 62.99 1gxh n SER 47 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gxh n GLY 48 N 0.20 0.41 4.38 0.23 0.00 -0.07 -1.10 105.19 109.25 1gxh n GLY 48 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.83 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 3.29 0.00 0.20 1.61 2.88 -1.26 -4.68 113.62 115.66 1gxh n SER 49 Ca 0.22 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.92 1gxh n SER 49 Cb 0.13 0.00 0.79 0.00 -0.75 0.00 0.00 64.21 64.38 1gxh n SER 49 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 1gxh h ASP 50 N 0.00 0.00 0.71 -3.46 3.58 -1.52 0.40 116.42 116.12 1gxh h ASP 50 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1gxh h ASP 50 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1gxh h ASP 50 CO 0.00 0.00 0.00 0.18 -2.88 0.00 0.00 179.24 176.54 1gxh n LEU 51 N -4.01 0.00 -0.05 2.28 4.77 -0.26 -0.89 117.00 118.83 1gxh n LEU 51 Ca 0.01 0.45 -0.08 0.00 -0.03 0.00 0.00 56.01 56.36 1gxh n LEU 51 Cb 0.28 -0.45 -0.05 0.00 -2.33 0.00 0.00 43.42 40.87 1gxh n LEU 51 CO 0.30 -0.10 -0.85 -0.38 -1.33 0.00 0.00 177.39 175.03 1gxh n ILE 52 N -1.45 0.59 -0.02 -0.08 5.41 -0.17 -4.46 119.36 119.18 1gxh n ILE 52 Ca 0.07 -0.21 -0.16 0.00 1.00 0.00 0.00 62.75 63.45 1gxh n ILE 52 Cb 0.25 -1.03 -0.11 0.00 -0.71 0.00 0.00 39.64 38.04 1gxh n ILE 52 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 1gxh h TYR 53 N -0.08 0.39 -1.38 1.39 0.05 -1.04 -3.41 116.97 112.90 1gxh h TYR 53 Ca -0.24 -0.20 -0.49 0.00 0.05 0.00 0.00 58.73 57.86 1gxh h TYR 53 Cb 1.33 -0.05 -0.41 0.00 1.01 0.00 0.00 36.73 38.61 1gxh h TYR 53 CO 0.00 0.97 -0.95 0.66 -1.05 0.00 0.00 178.16 177.80 1gxh n TYR 54 N -4.42 2.33 -1.95 4.88 4.01 -0.07 -5.06 117.16 116.87 1gxh n TYR 54 Ca -0.09 -3.08 -0.32 0.00 -0.16 0.00 0.00 57.90 54.25 1gxh n TYR 54 Cb 0.53 -0.25 0.01 0.00 -0.31 0.00 0.00 39.34 39.33 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 -3.30 3.37 0.13 -0.72 0.04 -1.24 -4.80 135.00 128.48 1gxh s PRO 55 Ca 0.39 1.02 -0.01 0.00 0.04 0.00 0.00 61.00 62.44 1gxh s PRO 55 Cb 0.41 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.91 1gxh s PRO 55 CO -0.08 -0.76 0.19 -0.85 0.04 0.00 0.00 177.00 175.53 1gxh n GLU 56 N -2.36 0.27 -2.09 4.56 0.28 -1.25 -4.94 120.64 115.11 1gxh n GLU 56 Ca 0.08 -1.00 -0.05 0.00 -0.16 0.00 0.00 57.16 56.03 1gxh n GLU 56 Cb 0.53 0.98 -0.00 0.00 1.43 0.00 0.00 31.44 34.39 1gxh n GLU 56 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1gxh n GLY 57 N -0.21 0.18 2.49 -1.84 0.00 -1.26 -1.10 105.19 103.45 1gxh n GLY 57 Ca -0.00 -0.69 -0.02 0.00 0.00 0.00 0.00 46.02 45.30 1gxh n GLY 57 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1gxh n ASN 58 N 1.10 -4.54 -4.46 1.61 5.15 -1.26 -4.94 115.26 107.93 1gxh n ASN 58 Ca -0.06 0.06 -0.36 0.00 -0.60 0.00 0.00 54.58 53.62 1gxh n ASN 58 Cb 0.54 -2.24 -0.03 0.00 -0.53 0.00 0.00 39.78 37.52 1gxh n ASN 58 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1gxh n ASN 59 N -0.38 3.83 0.00 1.20 5.15 -0.26 -3.44 115.26 121.36 1gxh n ASN 59 Ca -0.02 -2.80 0.00 0.00 -0.60 0.00 0.00 54.58 51.16 1gxh n ASN 59 Cb 0.29 -1.69 0.00 0.00 -0.53 0.00 0.00 39.78 37.84 1gxh n ASN 59 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 1gxh n ASP 60 N 10.96 0.00 -0.11 1.20 5.75 -1.26 -3.93 116.55 129.16 1gxh n ASP 60 Ca 0.47 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 55.13 1gxh n ASP 60 Cb 0.45 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.51 1gxh n ASP 60 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1gxh h GLY 61 N 0.00 0.71 -3.13 6.12 0.00 -2.00 -3.47 103.07 101.30 1gxh h GLY 61 Ca 0.00 -0.63 0.31 0.00 0.00 0.00 0.00 47.33 47.01 1gxh h GLY 61 CO 0.00 0.57 0.84 -0.56 0.00 0.00 0.00 176.54 177.39 1gxh s SER 62 N -6.34 -0.07 0.00 0.19 0.01 -1.26 -5.01 113.70 101.22 1gxh s SER 62 Ca -0.13 -0.08 0.04 0.00 1.31 0.00 0.00 55.95 57.09 1gxh s SER 62 Cb 0.09 0.14 0.17 0.00 0.21 0.00 0.00 66.02 66.63 1gxh s SER 62 CO 0.80 -0.25 1.03 -0.81 0.41 0.00 0.00 173.24 174.42 1gxh n PRO 63 N -0.35 0.03 -0.33 12.44 -0.04 -1.26 -1.36 135.00 144.12 1gxh n PRO 63 Ca -0.05 0.34 0.08 0.00 -0.04 0.00 0.00 63.50 63.83 1gxh n PRO 63 Cb 0.61 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.82 1gxh n PRO 63 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1gxh h GLU 64 N 0.00 0.78 -0.04 0.54 4.39 -1.99 0.15 114.58 118.40 1gxh h GLU 64 Ca 0.00 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 1gxh h GLU 64 Cb 0.05 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.52 1gxh h GLU 64 CO 0.00 0.51 0.01 0.00 -1.16 0.00 0.00 179.01 178.37 1gxh h ALA 65 N 1.57 1.93 -0.17 3.43 0.00 -1.57 -0.26 119.26 124.19 1gxh h ALA 65 Ca 0.50 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 55.20 1gxh h ALA 65 Cb 0.64 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1gxh h ALA 65 CO -0.33 0.06 -0.65 0.28 0.00 0.00 0.00 179.25 178.61 1gxh h VAL 66 N 0.06 1.32 -0.41 0.00 2.07 -1.16 -1.75 116.25 116.37 1gxh h VAL 66 Ca 0.02 -1.92 -0.03 0.00 0.82 0.00 0.00 66.70 65.59 1gxh h VAL 66 Cb 0.03 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 1gxh h VAL 66 CO -0.00 0.60 0.14 0.40 0.02 0.00 0.00 177.57 178.72 1gxh h ILE 67 N 0.45 1.21 0.00 4.57 5.03 -0.72 0.10 117.51 128.15 1gxh h ILE 67 Ca -0.01 -0.69 0.00 0.00 -0.12 0.00 0.00 64.86 64.03 1gxh h ILE 67 Cb 1.23 0.89 0.00 0.00 -3.03 0.00 0.00 36.82 35.91 1gxh h ILE 67 CO 0.12 0.25 0.00 0.29 -0.68 0.00 0.00 178.15 178.13 1gxh n LYS 68 N -4.60 0.00 0.26 2.37 5.02 -0.24 -0.98 118.16 119.99 1gxh n LYS 68 Ca -0.00 0.82 0.17 0.00 -2.02 0.00 0.00 58.31 57.28 1gxh n LYS 68 Cb 0.17 -1.28 0.77 0.00 -0.02 0.00 0.00 35.03 34.67 1gxh n LYS 68 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1gxh h GLU 69 N 0.00 0.00 0.24 1.97 3.07 -0.18 0.57 114.58 120.24 1gxh h GLU 69 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 1gxh h GLU 69 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1gxh h GLU 69 CO 0.00 0.00 -0.11 0.82 -1.40 0.00 0.00 179.01 178.32 1gxh h ILE 70 N 0.00 0.00 -0.77 3.13 5.03 -0.66 0.41 117.51 124.64 1gxh h ILE 70 Ca 0.00 -0.59 0.17 0.00 -0.12 0.00 0.00 64.86 64.33 1gxh h ILE 70 Cb 0.33 0.00 -0.14 0.00 -3.03 0.00 0.00 36.82 33.98 1gxh h ILE 70 CO 0.00 0.00 -0.04 0.11 -0.68 0.00 0.00 178.15 177.54 1gxh h LYS 71 N -0.90 0.07 -0.01 2.37 1.79 0.25 0.07 116.57 120.20 1gxh h LYS 71 Ca -0.03 -0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.42 1gxh h LYS 71 Cb 0.24 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 1gxh h LYS 71 CO 0.05 0.05 -0.06 1.49 -1.08 0.00 0.00 179.45 179.90 1gxh h GLU 72 N 0.07 0.07 -0.25 3.15 4.57 0.03 0.12 114.58 122.34 1gxh h GLU 72 Ca 0.41 -0.05 0.05 0.00 -1.18 0.00 0.00 59.36 58.59 1gxh h GLU 72 Cb 0.72 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.27 1gxh h GLU 72 CO -0.71 0.71 -0.04 2.35 -1.18 0.00 0.00 179.01 180.14 1gxh h TRP 73 N -0.56 -0.09 0.35 0.92 7.01 -0.78 0.54 115.95 123.33 1gxh h TRP 73 Ca -0.00 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.00 1gxh h TRP 73 Cb 0.72 0.08 0.00 0.00 -2.10 0.00 0.00 29.16 27.86 1gxh h TRP 73 CO 0.15 -0.09 -0.19 0.00 -2.79 0.00 0.00 178.44 175.53 1gxh h ARG 74 N 0.02 -0.48 0.00 2.65 2.47 -0.96 0.15 114.38 118.24 1gxh h ARG 74 Ca 0.12 0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.87 1gxh h ARG 74 Cb 0.17 0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 28.60 1gxh h ARG 74 CO -0.24 -0.32 -0.01 0.00 0.56 0.00 0.00 179.97 179.96 1gxh h ALA 75 N 0.15 1.04 0.20 0.04 0.00 -0.15 0.68 119.26 121.22 1gxh h ALA 75 Ca -0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1gxh h ALA 75 Cb 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1gxh h ALA 75 CO 0.06 0.01 -0.10 0.00 0.00 0.00 0.00 179.25 179.23 1gxh h ALA 76 N 1.99 -0.27 -0.01 0.00 0.00 -0.65 -3.40 119.26 116.92 1gxh h ALA 76 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1gxh h ALA 76 Cb 0.20 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1gxh h ALA 76 CO 0.00 -0.25 -0.43 0.09 0.00 0.00 0.00 179.25 178.65 1gxh n ASN 77 N -4.95 1.47 0.00 0.00 3.02 0.50 -4.72 115.26 110.57 1gxh n ASN 77 Ca -0.04 -1.16 0.00 0.00 -0.03 0.00 0.00 54.58 53.35 1gxh n ASN 77 Cb 0.12 0.37 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 1gxh n ASN 77 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gxh n GLY 78 N 1.40 0.00 3.39 7.41 0.00 0.20 -5.01 105.19 112.57 1gxh n GLY 78 Ca 0.10 0.00 -0.60 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 1.61 4.01 0.10 -4.66 118.16 119.23 1gxh n LYS 79 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1gxh n LYS 79 Cb 0.00 -1.40 0.00 0.00 -0.51 0.00 0.00 35.03 33.12 1gxh n LYS 79 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1gxh n SER 80 N 2.67 0.00 -4.72 4.39 7.64 -1.26 -4.96 113.62 117.38 1gxh n SER 80 Ca 0.24 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.84 1gxh n SER 80 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 1gxh n SER 80 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1gxh s GLY 81 N 0.00 2.55 1.00 0.23 0.00 -1.26 -4.80 107.32 105.04 1gxh s GLY 81 Ca 0.00 -1.73 -0.12 0.00 0.00 0.00 0.00 44.72 42.87 1gxh s GLY 81 CO 0.00 -2.04 1.08 -0.11 0.00 0.00 0.00 173.10 172.03 1gxh s PHE 82 N -2.71 2.00 0.18 1.90 -0.12 -1.24 -4.57 117.98 113.42 1gxh s PHE 82 Ca 0.31 1.12 -0.31 0.00 -0.05 0.00 0.00 56.93 57.99 1gxh s PHE 82 Cb 0.05 -3.21 -0.10 0.00 -0.63 0.00 0.00 43.02 39.13 1gxh s PHE 82 CO 0.17 -2.95 1.54 0.21 -0.05 0.00 0.00 175.22 174.14 1gxh s LYS 83 N -4.86 4.22 -0.20 1.99 2.20 -1.26 -4.76 119.74 117.08 1gxh s LYS 83 Ca 0.65 2.36 -0.05 0.00 -0.36 0.00 0.00 55.97 58.57 1gxh s LYS 83 Cb -0.20 -3.14 -0.20 0.00 -1.51 0.00 0.00 37.83 32.78 1gxh s LYS 83 CO 0.59 -0.57 3.02 0.94 -0.36 0.00 0.00 175.35 178.96 1gxh n GLN 84 N 3.60 1.86 -0.93 4.03 7.27 -1.26 -0.67 117.38 131.29 1gxh n GLN 84 Ca 0.12 -0.99 0.00 0.00 0.07 0.00 0.00 57.00 56.21 1gxh n GLN 84 Cb 0.39 -2.03 0.00 0.00 2.41 0.00 0.00 30.24 31.01 1gxh n GLN 84 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54