#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gxh s GLU 2 N 0.00 1.42 0.82 3.17 8.01 -1.26 -5.14 118.70 125.72 1gxh s GLU 2 Ca 0.00 -1.75 -0.14 0.00 0.01 0.00 0.00 54.97 53.10 1gxh s GLU 2 Cb 0.00 -0.57 0.06 0.00 -4.31 0.00 0.00 34.13 29.31 1gxh s GLU 2 CO 0.00 -0.17 0.98 1.28 0.01 0.00 0.00 175.26 177.36 1gxh n LEU 3 N -0.48 3.12 -4.68 1.80 4.77 -1.26 -4.87 117.00 115.40 1gxh n LEU 3 Ca -0.03 0.54 -0.46 0.00 -0.03 0.00 0.00 56.01 56.03 1gxh n LEU 3 Cb 0.65 -1.42 -0.04 0.00 -2.33 0.00 0.00 43.42 40.28 1gxh n LEU 3 CO 0.38 -2.23 1.38 0.29 -1.33 0.00 0.00 177.39 175.88 1gxh n LYS 4 N -2.69 2.33 0.00 3.23 4.01 -1.26 -4.84 118.16 118.94 1gxh n LYS 4 Ca 0.12 0.85 0.10 0.00 -0.51 0.00 0.00 58.31 58.86 1gxh n LYS 4 Cb 0.51 -2.68 0.50 0.00 -0.51 0.00 0.00 35.03 32.85 1gxh n LYS 4 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1gxh n ASN 5 N 5.19 0.00 -3.49 4.39 5.03 -1.26 -4.77 115.26 120.35 1gxh n ASN 5 Ca 0.19 -0.04 -0.11 0.00 0.87 0.00 0.00 54.58 55.49 1gxh n ASN 5 Cb 0.31 -0.26 -0.02 0.00 -1.02 0.00 0.00 39.78 38.79 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 -2.53 -0.51 0.40 6.41 0.01 -1.26 -4.98 113.70 111.24 1gxh s SER 6 Ca 0.19 -0.09 0.12 0.00 1.31 0.00 0.00 55.95 57.48 1gxh s SER 6 Cb 0.13 0.61 0.95 0.00 0.21 0.00 0.00 66.02 67.92 1gxh s SER 6 CO 0.29 -1.01 1.93 0.40 0.41 0.00 0.00 173.24 175.26 1gxh h ILE 7 N 2.00 0.86 0.00 1.44 1.08 -1.86 -1.81 117.51 119.22 1gxh h ILE 7 Ca -0.31 -0.18 0.00 0.00 -0.39 0.00 0.00 64.86 63.98 1gxh h ILE 7 Cb 1.30 0.29 0.00 0.00 -3.07 0.00 0.00 36.82 35.34 1gxh h ILE 7 CO 0.35 0.10 0.00 -1.28 -0.69 0.00 0.00 178.15 176.63 1gxh h SER 8 N 0.53 0.00 1.02 1.72 0.87 -1.84 -1.08 113.55 114.76 1gxh h SER 8 Ca 0.36 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.81 1gxh h SER 8 Cb 0.66 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.60 1gxh h SER 8 CO -0.12 0.00 -1.04 -0.78 -0.53 0.00 0.00 176.83 174.36 1gxh h ASP 9 N 0.00 0.00 -0.54 6.23 1.82 -1.67 -3.36 116.42 118.90 1gxh h ASP 9 Ca 0.00 0.00 -0.63 0.00 -0.39 0.00 0.00 57.03 56.01 1gxh h ASP 9 Cb 0.51 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.46 1gxh h ASP 9 CO 0.00 0.39 2.50 -1.22 -1.61 0.00 0.00 179.24 179.30 1gxh n TYR 10 N -2.92 2.13 -0.95 0.28 4.01 -0.41 -4.95 117.16 114.35 1gxh n TYR 10 Ca -0.04 -2.70 -0.31 0.00 -0.16 0.00 0.00 57.90 54.69 1gxh n TYR 10 Cb 0.73 -2.04 -0.00 0.00 -0.31 0.00 0.00 39.34 37.72 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 2.49 0.58 -0.27 -0.72 -2.24 -1.26 -3.58 114.28 109.29 1gxh n THR 11 Ca 0.66 -0.36 0.27 0.00 -2.27 0.00 0.00 64.05 62.35 1gxh n THR 11 Cb 0.35 0.00 0.63 0.00 -2.10 0.00 0.00 70.33 69.21 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 0.29 0.18 0.19 -0.78 4.81 -1.61 0.47 114.58 118.12 1gxh h GLU 12 Ca -0.26 -0.01 -0.31 0.00 -0.13 0.00 0.00 59.36 58.65 1gxh h GLU 12 Cb 1.05 -0.04 0.02 0.00 0.63 0.00 0.00 28.75 30.41 1gxh h GLU 12 CO 0.35 0.12 -1.40 1.15 -0.73 0.00 0.00 179.01 178.50 1gxh h THR 13 N 0.18 1.35 -0.30 0.32 2.02 -1.85 -2.46 112.91 112.18 1gxh h THR 13 Ca 0.52 -2.86 -0.04 0.00 0.77 0.00 0.00 66.41 64.80 1gxh h THR 13 Cb 1.72 2.97 -0.01 0.00 -1.74 0.00 0.00 68.15 71.08 1gxh h THR 13 CO -0.12 0.85 0.03 -0.33 0.37 0.00 0.00 175.52 176.32 1gxh h GLU 14 N 0.11 0.51 -0.51 6.66 5.08 -0.43 -1.20 114.58 124.80 1gxh h GLU 14 Ca -0.21 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1gxh h GLU 14 Cb 2.07 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 31.24 1gxh h GLU 14 CO 0.23 0.63 0.30 0.35 -1.00 0.00 0.00 179.01 179.53 1gxh h PHE 15 N 0.32 0.66 0.01 4.33 3.57 -1.07 -0.91 116.94 123.85 1gxh h PHE 15 Ca 0.09 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.62 1gxh h PHE 15 Cb 0.38 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.86 1gxh h PHE 15 CO 0.03 0.44 -0.20 -0.22 -2.23 0.00 0.00 178.31 176.14 1gxh h LYS 16 N 0.70 -0.31 -0.79 1.11 1.63 -1.14 -1.60 116.57 116.17 1gxh h LYS 16 Ca 0.18 0.02 0.15 0.00 -0.85 0.00 0.00 60.65 60.16 1gxh h LYS 16 Cb -0.02 0.07 -0.10 0.00 -0.60 0.00 0.00 32.23 31.58 1gxh h LYS 16 CO -0.03 -0.21 0.34 -0.22 -3.45 0.00 0.00 179.45 175.88 1gxh h LYS 17 N -0.32 0.46 0.86 1.90 3.11 0.09 0.54 116.57 123.20 1gxh h LYS 17 Ca 0.06 -0.03 -0.04 0.00 -2.81 0.00 0.00 60.65 57.83 1gxh h LYS 17 Cb 0.39 -0.10 0.01 0.00 -1.00 0.00 0.00 32.23 31.53 1gxh h LYS 17 CO -0.18 0.30 -0.41 0.97 -2.81 0.00 0.00 179.45 177.32 1gxh h ILE 18 N 0.47 0.15 -0.17 2.00 2.10 -1.31 -1.85 117.51 118.91 1gxh h ILE 18 Ca 0.44 -0.00 -0.08 0.00 1.08 0.00 0.00 64.86 66.30 1gxh h ILE 18 Cb 0.69 0.15 -0.01 0.00 -1.09 0.00 0.00 36.82 36.56 1gxh h ILE 18 CO -0.41 0.00 -0.25 0.40 -1.08 0.00 0.00 178.15 176.81 1gxh h ILE 19 N -1.16 1.25 -0.02 2.19 1.08 -0.09 -1.49 117.51 119.26 1gxh h ILE 19 Ca -0.12 -1.15 -0.00 0.00 -0.39 0.00 0.00 64.86 63.20 1gxh h ILE 19 Cb 0.89 1.40 -0.00 0.00 -3.07 0.00 0.00 36.82 36.03 1gxh h ILE 19 CO 0.19 0.35 0.01 -0.08 -0.69 0.00 0.00 178.15 177.94 1gxh h GLU 20 N 0.27 0.03 -0.90 2.37 4.81 -0.07 -2.48 114.58 118.61 1gxh h GLU 20 Ca 0.04 -0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.46 1gxh h GLU 20 Cb 0.59 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.89 1gxh h GLU 20 CO 0.04 0.12 0.59 0.22 -0.73 0.00 0.00 179.01 179.25 1gxh h ASP 21 N -0.07 0.48 -0.32 1.04 3.58 -0.39 0.27 116.42 121.01 1gxh h ASP 21 Ca 0.01 0.05 -0.05 0.00 0.42 0.00 0.00 57.03 57.45 1gxh h ASP 21 Cb 0.10 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 1gxh h ASP 21 CO -0.00 0.20 0.00 0.40 -2.88 0.00 0.00 179.24 176.96 1gxh h ILE 22 N 0.48 1.26 0.00 2.25 2.04 -1.38 -0.19 117.51 121.97 1gxh h ILE 22 Ca 0.47 -0.95 -0.16 0.00 1.00 0.00 0.00 64.86 65.22 1gxh h ILE 22 Cb 1.06 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.37 1gxh h ILE 22 CO -0.20 0.31 -0.75 0.40 0.00 0.00 0.00 178.15 177.91 1gxh h ILE 23 N 0.36 1.44 -0.44 -0.67 1.08 -0.40 -2.38 117.51 116.49 1gxh h ILE 23 Ca 0.09 -2.66 -0.07 0.00 -0.39 0.00 0.00 64.86 61.83 1gxh h ILE 23 Cb 0.44 2.47 -0.02 0.00 -3.07 0.00 0.00 36.82 36.64 1gxh h ILE 23 CO 0.02 0.74 -0.02 0.78 -0.69 0.00 0.00 178.15 178.97 1gxh h ASN 24 N 0.00 0.70 0.00 1.72 2.35 -0.65 -3.48 115.58 116.22 1gxh h ASN 24 Ca -0.01 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1gxh h ASN 24 Cb 1.41 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.60 1gxh h ASN 24 CO 0.10 0.78 0.00 0.00 -1.65 0.00 0.00 177.43 176.66 1gxh s GLU 26 N -1.18 4.14 0.00 0.00 -6.30 -0.83 -4.88 118.70 109.64 1gxh s GLU 26 Ca 0.00 2.61 0.00 0.00 -2.50 0.00 0.00 54.97 55.08 1gxh s GLU 26 Cb 0.00 -4.00 0.00 0.00 0.00 0.00 0.00 34.13 30.13 1gxh s GLU 26 CO 0.00 -0.92 0.00 0.41 0.02 0.00 0.00 175.26 174.77 1gxh n GLY 27 N 4.46 1.06 1.30 -1.50 0.00 -1.26 -4.47 105.19 104.78 1gxh n GLY 27 Ca 0.19 -2.29 0.00 0.00 0.00 0.00 0.00 46.02 43.92 1gxh n GLY 27 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1gxh n ASP 28 N 0.00 3.90 0.00 1.61 2.03 -1.26 -4.73 116.55 118.09 1gxh n ASP 28 Ca 0.00 -2.07 0.00 0.00 0.52 0.00 0.00 54.79 53.24 1gxh n ASP 28 Cb 0.00 -0.77 0.00 0.00 -0.72 0.00 0.00 41.12 39.63 1gxh n ASP 28 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1gxh n GLU 29 N 1.09 0.00 -0.00 -0.67 1.02 -1.26 -4.43 120.64 116.39 1gxh n GLU 29 Ca 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.16 1gxh n GLU 29 Cb 0.45 0.00 0.38 0.00 -0.02 0.00 0.00 31.44 32.25 1gxh n GLU 29 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1gxh h LYS 30 N 0.00 0.54 -0.24 3.49 1.57 -1.97 0.13 116.57 120.09 1gxh h LYS 30 Ca 0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1gxh h LYS 30 Cb 0.00 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1gxh h LYS 30 CO 0.00 0.43 0.15 -0.22 -0.57 0.00 0.00 179.45 179.24 1gxh h LYS 31 N 0.54 0.32 -0.48 3.15 3.11 -1.87 0.18 116.57 121.52 1gxh h LYS 31 Ca 0.14 -0.02 -0.07 0.00 -2.81 0.00 0.00 60.65 57.89 1gxh h LYS 31 Cb 0.08 -0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 31.22 1gxh h LYS 31 CO -0.02 0.24 0.04 1.96 -2.81 0.00 0.00 179.45 178.86 1gxh h GLN 32 N 0.31 0.82 -0.90 1.90 4.20 -1.10 -2.40 115.11 117.93 1gxh h GLN 32 Ca 0.09 -0.24 0.07 0.00 0.06 0.00 0.00 58.65 58.62 1gxh h GLN 32 Cb -0.01 -0.09 -0.07 0.00 0.30 0.00 0.00 27.48 27.62 1gxh h GLN 32 CO -0.02 0.85 0.57 0.22 -0.67 0.00 0.00 178.83 179.77 1gxh h ASP 33 N 0.69 0.89 -0.06 1.46 3.58 -0.67 0.24 116.42 122.55 1gxh h ASP 33 Ca 0.14 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.61 1gxh h ASP 33 Cb 0.44 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 41.33 1gxh h ASP 33 CO 0.02 0.56 0.02 -0.78 -2.88 0.00 0.00 179.24 176.18 1gxh h ASP 34 N 1.02 0.07 -0.29 2.28 3.58 -0.55 0.05 116.42 122.58 1gxh h ASP 34 Ca 0.40 -0.15 0.05 0.00 0.42 0.00 0.00 57.03 57.76 1gxh h ASP 34 Cb 0.20 -0.02 -0.05 0.00 1.72 0.00 0.00 39.33 41.18 1gxh h ASP 34 CO -0.18 0.20 -0.02 -1.13 -2.88 0.00 0.00 179.24 175.22 1gxh h ASN 35 N -0.06 -0.17 -0.64 2.28 -0.00 -1.22 -2.60 115.58 113.17 1gxh h ASN 35 Ca 0.02 0.07 -0.06 0.00 -0.00 0.00 0.00 56.30 56.33 1gxh h ASN 35 Cb 0.15 0.14 -0.03 0.00 -0.00 0.00 0.00 38.32 38.58 1gxh h ASN 35 CO -0.00 -0.05 0.19 -0.07 -0.00 0.00 0.00 177.43 177.50 1gxh h LEU 36 N 0.06 0.97 0.18 0.34 3.38 0.12 0.42 115.31 120.77 1gxh h LEU 36 Ca 0.14 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1gxh h LEU 36 Cb 0.20 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1gxh h LEU 36 CO -0.26 0.91 -0.23 -0.08 0.09 0.00 0.00 178.44 178.88 1gxh h GLU 37 N 0.99 -0.45 -0.61 1.13 4.22 -1.11 -1.55 114.58 117.20 1gxh h GLU 37 Ca 0.21 0.03 0.07 0.00 0.08 0.00 0.00 59.36 59.75 1gxh h GLU 37 Cb 0.31 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.60 1gxh h GLU 37 CO -0.00 -0.30 0.30 1.25 -2.18 0.00 0.00 179.01 178.08 1gxh h HIS 38 N -0.46 0.54 0.00 0.92 2.76 -0.44 0.23 115.15 118.70 1gxh h HIS 38 Ca 0.01 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1gxh h HIS 38 Cb 0.45 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.26 1gxh h HIS 38 CO -0.18 0.22 0.00 0.35 -1.30 0.00 0.00 177.93 177.02 1gxh h PHE 39 N 0.55 0.00 0.00 5.26 3.57 -0.19 0.11 116.94 126.23 1gxh h PHE 39 Ca 0.29 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.79 1gxh h PHE 39 Cb 0.25 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.99 1gxh h PHE 39 CO -0.11 0.00 -0.00 0.82 -2.23 0.00 0.00 178.31 176.79 1gxh h ILE 40 N 0.00 1.63 0.49 1.41 1.08 0.37 -3.38 117.51 119.12 1gxh h ILE 40 Ca 0.00 -1.89 -0.02 0.00 -0.39 0.00 0.00 64.86 62.56 1gxh h ILE 40 Cb 0.22 2.90 0.00 0.00 -3.07 0.00 0.00 36.82 36.88 1gxh h ILE 40 CO 0.00 0.49 -0.24 -1.28 -0.69 0.00 0.00 178.15 176.43 1gxh h SER 41 N -0.81 -0.56 -0.22 1.72 0.87 0.17 0.66 113.55 115.38 1gxh h SER 41 Ca -0.00 -0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.47 1gxh h SER 41 Cb 0.80 0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.89 1gxh h SER 41 CO 0.00 -0.17 0.08 -0.37 -0.53 0.00 0.00 176.83 175.84 1gxh h VAL 42 N -1.05 1.14 0.06 2.23 -1.51 -1.46 -3.27 116.25 112.39 1gxh h VAL 42 Ca -0.07 -0.48 -0.28 0.00 -1.23 0.00 0.00 66.70 64.65 1gxh h VAL 42 Cb 0.59 0.84 -0.02 0.00 -2.13 0.00 0.00 31.29 30.57 1gxh h VAL 42 CO 0.11 0.17 -1.42 0.74 -1.23 0.00 0.00 177.57 175.94 1gxh h THR 43 N 0.41 1.25 0.00 7.19 2.02 -1.67 -3.32 112.91 118.79 1gxh h THR 43 Ca 0.10 -2.95 0.00 0.00 0.77 0.00 0.00 66.41 64.33 1gxh h THR 43 Cb 0.15 2.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.28 1gxh h THR 43 CO -0.00 0.79 0.00 -0.62 0.37 0.00 0.00 175.52 176.06 1gxh n GLU 44 N -3.34 -1.05 -2.34 6.66 1.02 0.20 -4.93 120.64 116.86 1gxh n GLU 44 Ca -0.12 0.26 -0.43 0.00 -0.02 0.00 0.00 57.16 56.85 1gxh n GLU 44 Cb 1.02 -4.70 -0.02 0.00 -0.02 0.00 0.00 31.44 27.71 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 -0.98 2.39 0.26 -0.32 2.46 -1.25 -4.91 115.29 112.94 1gxh s HIS 45 Ca 0.00 0.67 -0.04 0.00 0.47 0.00 0.00 55.06 56.17 1gxh s HIS 45 Cb 0.00 -4.30 0.36 0.00 -0.13 0.00 0.00 32.58 28.51 1gxh s HIS 45 CO 0.00 -2.00 1.91 -1.00 -2.47 0.00 0.00 174.74 171.18 1gxh h PRO 46 N 10.72 1.21 0.00 2.88 0.13 -1.93 -0.90 132.00 144.11 1gxh h PRO 46 Ca -0.28 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 64.78 1gxh h PRO 46 Cb 1.11 -0.27 -0.00 0.00 0.13 0.00 0.00 31.00 31.96 1gxh h PRO 46 CO 1.08 0.80 -0.02 0.77 -0.23 0.00 0.00 178.00 180.40 1gxh h SER 47 N 1.24 0.00 0.00 1.44 0.02 -2.01 -3.47 113.55 110.78 1gxh h SER 47 Ca 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 1gxh h SER 47 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1gxh h SER 47 CO -0.13 0.02 0.00 0.61 -1.14 0.00 0.00 176.83 176.20 1gxh n GLY 48 N -1.43 2.84 0.35 -3.77 0.00 -0.34 -2.17 105.19 100.66 1gxh n GLY 48 Ca -0.03 -0.26 0.15 0.00 0.00 0.00 0.00 46.02 45.89 1gxh n GLY 48 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1gxh h SER 49 N 5.28 0.00 -0.43 1.61 4.64 -1.90 -1.59 113.55 121.15 1gxh h SER 49 Ca 0.00 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.41 1gxh h SER 49 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1gxh h SER 49 CO 0.00 0.00 0.30 -0.78 -0.87 0.00 0.00 176.83 175.48 1gxh h ASP 50 N 0.00 0.17 0.48 4.97 3.58 -1.81 -0.69 116.42 123.12 1gxh h ASP 50 Ca 0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.51 1gxh h ASP 50 Cb 0.93 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.95 1gxh h ASP 50 CO -0.00 0.10 0.00 -0.07 -2.88 0.00 0.00 179.24 176.39 1gxh h LEU 51 N 0.19 0.00 0.00 2.28 3.38 -1.48 0.06 115.31 119.74 1gxh h LEU 51 Ca 0.20 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.95 1gxh h LEU 51 Cb 0.55 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 1gxh h LEU 51 CO -0.03 0.00 -1.82 -0.38 0.09 0.00 0.00 178.44 176.30 1gxh n ILE 52 N -2.58 0.82 -0.09 1.22 5.41 -0.34 -4.46 119.36 119.34 1gxh n ILE 52 Ca -0.00 -0.36 -0.10 0.00 1.00 0.00 0.00 62.75 63.29 1gxh n ILE 52 Cb 0.17 -0.94 -0.14 0.00 -0.71 0.00 0.00 39.64 38.01 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 -2.80 0.00 -3.17 1.39 4.01 -0.78 -4.75 117.16 111.06 1gxh n TYR 53 Ca -0.24 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.31 1gxh n TYR 53 Cb 0.80 -0.92 -0.03 0.00 -0.31 0.00 0.00 39.34 38.88 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 -2.73 0.46 -1.98 -0.72 4.01 0.00 -5.07 117.16 111.12 1gxh n TYR 54 Ca -0.31 -3.83 -0.39 0.00 -0.16 0.00 0.00 57.90 53.20 1gxh n TYR 54 Cb 1.10 -0.42 0.00 0.00 -0.31 0.00 0.00 39.34 39.70 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 -2.48 3.87 0.00 -0.72 0.04 -1.17 -4.69 135.00 129.85 1gxh s PRO 55 Ca 0.41 2.22 0.00 0.00 0.04 0.00 0.00 61.00 63.67 1gxh s PRO 55 Cb 0.34 -2.71 0.00 0.00 0.04 0.00 0.00 34.50 32.17 1gxh s PRO 55 CO -0.08 -0.60 0.00 -0.85 0.04 0.00 0.00 177.00 175.51 1gxh n GLU 56 N 0.01 3.93 0.00 4.56 0.28 -1.26 -4.96 120.64 123.20 1gxh n GLU 56 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.04 1gxh n GLU 56 Cb 0.43 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.30 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 5.00 1.76 0.00 -1.84 0.00 -1.26 -1.10 105.19 107.74 1gxh n GLY 57 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1gxh n GLY 57 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1gxh n ASN 58 N 3.33 0.00 -4.56 1.61 3.02 -1.26 -5.11 115.26 112.29 1gxh n ASN 58 Ca 0.00 0.00 -0.51 0.00 -0.03 0.00 0.00 54.58 54.04 1gxh n ASN 58 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 1gxh n ASN 58 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1gxh n ASN 59 N 0.00 2.55 0.07 6.41 5.15 -0.26 -4.86 115.26 124.32 1gxh n ASN 59 Ca 0.00 0.66 0.10 0.00 -0.60 0.00 0.00 54.58 54.74 1gxh n ASN 59 Cb 0.00 -1.28 0.42 0.00 -0.53 0.00 0.00 39.78 38.39 1gxh n ASN 59 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1gxh n ASP 60 N 8.36 0.39 0.00 1.20 2.03 -1.26 -4.51 116.55 122.76 1gxh n ASP 60 Ca 0.34 0.59 0.00 0.00 0.52 0.00 0.00 54.79 56.24 1gxh n ASP 60 Cb 0.24 -0.68 0.00 0.00 -0.72 0.00 0.00 41.12 39.96 1gxh n ASP 60 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1gxh n GLY 61 N 0.03 0.76 3.74 0.27 0.00 -1.26 -5.03 105.19 103.69 1gxh n GLY 61 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1gxh n GLY 61 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1gxh s SER 62 N -2.72 4.66 0.47 1.61 0.01 -1.26 -4.90 113.70 111.58 1gxh s SER 62 Ca 0.00 2.42 0.13 0.00 1.31 0.00 0.00 55.95 59.81 1gxh s SER 62 Cb 0.00 -2.60 1.10 0.00 0.21 0.00 0.00 66.02 64.73 1gxh s SER 62 CO 0.00 -1.95 2.09 1.55 0.41 0.00 0.00 173.24 175.33 1gxh h PRO 63 N 0.32 0.24 -0.40 12.44 0.13 -1.96 -0.05 132.00 142.73 1gxh h PRO 63 Ca -0.49 -0.01 0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1gxh h PRO 63 Cb 1.30 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 1gxh h PRO 63 CO 0.52 0.16 0.22 0.93 -0.23 0.00 0.00 178.00 179.61 1gxh h GLU 64 N 0.25 0.44 0.00 0.86 4.39 -1.99 -0.67 114.58 117.86 1gxh h GLU 64 Ca 0.11 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.78 1gxh h GLU 64 Cb 0.12 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1gxh h GLU 64 CO -0.02 0.29 0.00 0.00 -1.16 0.00 0.00 179.01 178.12 1gxh h ALA 65 N 1.19 1.00 0.07 3.43 0.00 -1.38 0.40 119.26 123.97 1gxh h ALA 65 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.80 1gxh h ALA 65 Cb 0.03 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.83 1gxh h ALA 65 CO -0.09 0.00 -1.13 0.28 0.00 0.00 0.00 179.25 178.31 1gxh h VAL 66 N 0.00 1.35 -0.57 0.00 2.07 -0.78 -2.93 116.25 115.40 1gxh h VAL 66 Ca 0.00 -2.53 -0.01 0.00 0.82 0.00 0.00 66.70 64.98 1gxh h VAL 66 Cb 0.49 2.61 -0.03 0.00 -1.52 0.00 0.00 31.29 32.85 1gxh h VAL 66 CO 0.00 0.76 0.30 0.40 0.02 0.00 0.00 177.57 179.05 1gxh h ILE 67 N 0.25 1.19 0.00 4.57 5.03 0.32 0.21 117.51 129.07 1gxh h ILE 67 Ca -0.14 -0.51 0.00 0.00 -0.12 0.00 0.00 64.86 64.09 1gxh h ILE 67 Cb 1.80 0.49 0.00 0.00 -3.03 0.00 0.00 36.82 36.08 1gxh h ILE 67 CO 0.21 0.21 0.00 0.29 -0.68 0.00 0.00 178.15 178.18 1gxh n LYS 68 N -4.58 0.00 0.22 2.37 5.02 -0.01 -1.55 118.16 119.63 1gxh n LYS 68 Ca 0.03 0.63 0.16 0.00 -2.02 0.00 0.00 58.31 57.11 1gxh n LYS 68 Cb 0.10 -1.08 0.70 0.00 -0.02 0.00 0.00 35.03 34.73 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 0.15 1.97 3.07 -0.88 0.56 114.58 119.46 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 -0.07 0.82 -1.40 0.00 0.00 179.01 178.36 1gxh h ILE 70 N 0.00 0.00 -0.86 3.13 5.03 -0.58 0.05 117.51 124.28 1gxh h ILE 70 Ca 0.00 -0.31 0.16 0.00 -0.12 0.00 0.00 64.86 64.59 1gxh h ILE 70 Cb 0.31 0.00 -0.10 0.00 -3.03 0.00 0.00 36.82 34.00 1gxh h ILE 70 CO 0.00 0.00 0.43 0.11 -0.68 0.00 0.00 178.15 178.01 1gxh h LYS 71 N -0.52 0.56 -0.04 2.37 1.57 0.18 0.17 116.57 120.86 1gxh h LYS 71 Ca -0.02 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.64 1gxh h LYS 71 Cb 0.16 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1gxh h LYS 71 CO 0.03 0.37 -0.29 1.49 -0.57 0.00 0.00 179.45 180.49 1gxh h GLU 72 N 0.58 0.27 -0.02 3.15 4.81 -0.07 0.11 114.58 123.40 1gxh h GLU 72 Ca 0.48 -0.23 0.03 0.00 -0.13 0.00 0.00 59.36 59.51 1gxh h GLU 72 Cb 0.74 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.13 1gxh h GLU 72 CO -0.40 0.90 -0.15 2.35 -0.73 0.00 0.00 179.01 180.98 1gxh h TRP 73 N -0.29 -0.40 0.02 0.92 7.01 -0.91 -0.16 115.95 122.15 1gxh h TRP 73 Ca -0.02 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.01 1gxh h TRP 73 Cb 0.97 0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 28.18 1gxh h TRP 73 CO 0.14 -0.23 -0.14 0.00 -2.79 0.00 0.00 178.44 175.43 1gxh h ARG 74 N -0.24 -0.24 -0.34 2.65 2.47 -0.86 0.37 114.38 118.19 1gxh h ARG 74 Ca 0.06 0.02 -0.11 0.00 -1.26 0.00 0.00 59.98 58.68 1gxh h ARG 74 Cb 0.32 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.68 1gxh h ARG 74 CO -0.17 -0.16 -0.25 0.00 0.56 0.00 0.00 179.97 179.96 1gxh h ALA 75 N 0.69 0.92 -0.33 0.04 0.00 -0.67 0.25 119.26 120.16 1gxh h ALA 75 Ca 0.04 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.59 1gxh h ALA 75 Cb 0.30 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1gxh h ALA 75 CO -0.13 0.62 0.20 0.00 0.00 0.00 0.00 179.25 179.94 1gxh h ALA 76 N 1.13 0.42 0.00 0.00 0.00 -0.77 -0.67 119.26 119.37 1gxh h ALA 76 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1gxh h ALA 76 Cb 0.74 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1gxh h ALA 76 CO 0.06 -0.14 0.00 0.09 0.00 0.00 0.00 179.25 179.25 1gxh n ASN 77 N -4.88 0.00 -0.33 0.00 3.02 0.10 -4.88 115.26 108.29 1gxh n ASN 77 Ca -0.01 -1.04 -0.04 0.00 -0.03 0.00 0.00 54.58 53.46 1gxh n ASN 77 Cb 0.04 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.19 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 0.15 0.69 3.83 7.41 0.00 -0.26 -5.01 105.19 111.99 1gxh n GLY 78 Ca 0.04 -0.41 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 1gxh n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gxh s LYS 79 N -1.82 3.05 0.21 1.61 1.02 0.76 -4.95 119.74 119.62 1gxh s LYS 79 Ca 0.00 -0.72 -0.31 0.00 0.02 0.00 0.00 55.97 54.96 1gxh s LYS 79 Cb 0.00 -2.77 -0.10 0.00 -0.52 0.00 0.00 37.83 34.43 1gxh s LYS 79 CO 0.00 0.53 1.55 -1.12 -0.92 0.00 0.00 175.35 175.39 1gxh s SER 80 N -2.84 6.56 0.68 2.83 0.01 -1.26 -3.26 113.70 116.41 1gxh s SER 80 Ca 0.32 2.70 0.00 0.00 1.31 0.00 0.00 55.95 60.28 1gxh s SER 80 Cb -0.11 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.51 1gxh s SER 80 CO 0.24 -0.81 0.00 0.61 0.41 0.00 0.00 173.24 173.69 1gxh n GLY 81 N 3.07 -0.52 3.69 3.44 0.00 -1.26 -4.71 105.19 108.90 1gxh n GLY 81 Ca 0.11 -1.75 -0.29 0.00 0.00 0.00 0.00 46.02 44.09 1gxh n GLY 81 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1gxh s PHE 82 N -0.46 1.29 0.46 1.61 -0.12 -1.22 -3.97 117.98 115.57 1gxh s PHE 82 Ca 0.00 0.62 -0.21 0.00 -0.05 0.00 0.00 56.93 57.29 1gxh s PHE 82 Cb 0.00 -3.50 -0.12 0.00 -0.63 0.00 0.00 43.02 38.77 1gxh s PHE 82 CO 0.00 -3.28 0.43 1.17 -0.05 0.00 0.00 175.22 173.49 1gxh n LYS 83 N -4.35 0.44 -1.42 1.99 4.81 -1.26 -4.84 118.16 113.53 1gxh n LYS 83 Ca 0.11 0.16 -0.35 0.00 -0.87 0.00 0.00 58.31 57.36 1gxh n LYS 83 Cb 0.59 -1.44 -0.04 0.00 0.02 0.00 0.00 35.03 34.16 1gxh n LYS 83 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1gxh n GLN 84 N 0.63 3.62 -0.81 1.64 7.27 -1.26 -3.01 117.38 125.47 1gxh n GLN 84 Ca 0.11 -2.31 0.00 0.00 0.07 0.00 0.00 57.00 54.87 1gxh n GLN 84 Cb 0.42 -2.63 0.00 0.00 2.41 0.00 0.00 30.24 30.43 1gxh n GLN 84 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54