#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 -0.85 -0.53 3.17 4.71 -1.26 -5.06 120.64 120.81 1gxh n GLU 2 Ca 0.00 -0.22 -0.31 0.00 -0.01 0.00 0.00 57.16 56.62 1gxh n GLU 2 Cb 0.00 -1.72 0.28 0.00 -1.01 0.00 0.00 31.44 28.99 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 -0.45 -0.82 0.36 -4.62 1.43 -1.26 -5.10 118.68 108.22 1gxh s LEU 3 Ca 0.55 0.73 0.04 0.00 -1.03 0.00 0.00 54.13 54.42 1gxh s LEU 3 Cb -0.16 -2.18 -0.05 0.00 0.03 0.00 0.00 46.19 43.83 1gxh s LEU 3 CO 0.68 -5.19 0.07 -0.54 0.23 0.00 0.00 176.35 171.60 1gxh s LYS 4 N -5.23 1.78 -0.00 1.70 -0.14 -1.26 -5.05 119.74 111.53 1gxh s LYS 4 Ca 0.69 -2.03 0.07 0.00 -1.36 0.00 0.00 55.97 53.35 1gxh s LYS 4 Cb -0.11 -0.88 -0.09 0.00 -1.68 0.00 0.00 37.83 35.08 1gxh s LYS 4 CO 0.57 -0.27 0.29 0.09 -0.76 0.00 0.00 175.35 175.26 1gxh n ASN 5 N -0.90 0.90 -3.90 2.83 5.03 -1.26 -4.95 115.26 113.00 1gxh n ASN 5 Ca -0.05 -0.55 -0.11 0.00 0.87 0.00 0.00 54.58 54.75 1gxh n ASN 5 Cb 0.66 1.07 -0.10 0.00 -1.02 0.00 0.00 39.78 40.39 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 -1.92 0.08 0.53 6.41 0.01 -1.26 -4.64 113.70 112.91 1gxh s SER 6 Ca 0.02 -0.28 0.26 0.00 1.31 0.00 0.00 55.95 57.25 1gxh s SER 6 Cb 0.05 0.18 1.40 0.00 0.21 0.00 0.00 66.02 67.87 1gxh s SER 6 CO 0.31 -0.36 1.99 0.40 0.41 0.00 0.00 173.24 175.99 1gxh h ILE 7 N 4.36 0.72 0.00 1.44 1.08 -1.77 -1.89 117.51 121.45 1gxh h ILE 7 Ca -0.31 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.16 1gxh h ILE 7 Cb 1.20 0.73 0.00 0.00 -3.07 0.00 0.00 36.82 35.68 1gxh h ILE 7 CO 0.41 0.00 -0.35 -1.20 -0.69 0.00 0.00 178.15 176.32 1gxh n SER 8 N -4.36 0.57 0.10 1.72 7.64 -1.23 -2.27 113.62 115.79 1gxh n SER 8 Ca 0.10 0.22 -0.05 0.00 1.01 0.00 0.00 58.87 60.15 1gxh n SER 8 Cb 0.61 -0.16 0.09 0.00 -1.01 0.00 0.00 64.21 63.74 1gxh n SER 8 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1gxh h ASP 9 N 0.00 0.16 -4.16 6.43 3.32 -1.68 -3.39 116.42 117.09 1gxh h ASP 9 Ca 0.00 -0.11 -0.50 0.00 0.02 0.00 0.00 57.03 56.45 1gxh h ASP 9 Cb 0.65 -0.05 0.15 0.00 0.22 0.00 0.00 39.33 40.31 1gxh h ASP 9 CO 0.00 0.80 0.26 -0.31 -1.72 0.00 0.00 179.24 178.28 1gxh s TYR 10 N -3.51 2.28 0.23 4.55 2.02 -0.96 -4.96 117.35 117.00 1gxh s TYR 10 Ca -0.02 1.45 0.09 0.00 -0.37 0.00 0.00 57.07 58.22 1gxh s TYR 10 Cb 0.12 -3.14 -0.04 0.00 -0.40 0.00 0.00 41.96 38.50 1gxh s TYR 10 CO 0.79 -2.27 -0.03 0.95 -1.57 0.00 0.00 175.55 173.42 1gxh s THR 11 N -2.86 3.40 0.38 -0.71 -4.23 -1.26 -2.37 115.64 107.99 1gxh s THR 11 Ca 0.63 -1.80 0.12 0.00 -1.18 0.00 0.00 61.69 59.46 1gxh s THR 11 Cb -0.19 -2.77 0.34 0.00 1.34 0.00 0.00 72.50 71.22 1gxh s THR 11 CO 0.57 -0.28 1.87 -0.33 -0.54 0.00 0.00 174.62 175.92 1gxh h GLU 12 N 2.24 0.57 0.01 3.99 3.07 -1.92 -0.96 114.58 121.59 1gxh h GLU 12 Ca -0.45 -0.03 -0.27 0.00 -0.50 0.00 0.00 59.36 58.10 1gxh h GLU 12 Cb 1.23 -0.13 -0.04 0.00 -0.84 0.00 0.00 28.75 28.97 1gxh h GLU 12 CO 0.59 0.38 -1.52 1.15 -1.40 0.00 0.00 179.01 178.21 1gxh h THR 13 N 0.59 1.09 -0.62 1.13 2.02 -1.96 0.13 112.91 115.29 1gxh h THR 13 Ca 0.44 -2.89 -0.05 0.00 0.77 0.00 0.00 66.41 64.68 1gxh h THR 13 Cb 0.83 2.56 -0.03 0.00 -1.74 0.00 0.00 68.15 69.78 1gxh h THR 13 CO -0.19 0.66 0.19 -0.33 0.37 0.00 0.00 175.52 176.22 1gxh h GLU 14 N 0.01 0.98 -0.56 6.66 5.08 -1.94 -2.21 114.58 122.60 1gxh h GLU 14 Ca -0.21 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 57.92 1gxh h GLU 14 Cb 1.95 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 31.03 1gxh h GLU 14 CO 0.10 0.87 0.32 0.35 -1.00 0.00 0.00 179.01 179.65 1gxh h PHE 15 N 0.90 0.74 -0.03 4.33 3.57 -1.00 -0.93 116.94 124.51 1gxh h PHE 15 Ca 0.20 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.73 1gxh h PHE 15 Cb 0.31 -0.24 -0.06 0.00 2.79 0.00 0.00 35.95 38.75 1gxh h PHE 15 CO 0.02 0.51 -0.35 -0.22 -2.23 0.00 0.00 178.31 176.03 1gxh h LYS 16 N 0.77 -0.47 -0.85 1.11 1.63 -0.48 -0.27 116.57 118.01 1gxh h LYS 16 Ca 0.20 0.03 0.16 0.00 -0.85 0.00 0.00 60.65 60.19 1gxh h LYS 16 Cb -0.00 0.11 -0.06 0.00 -0.60 0.00 0.00 32.23 31.67 1gxh h LYS 16 CO -0.04 -0.32 0.55 -0.22 -3.45 0.00 0.00 179.45 175.98 1gxh h LYS 17 N -0.49 0.51 0.67 1.90 3.11 -0.55 0.52 116.57 122.24 1gxh h LYS 17 Ca 0.06 -0.03 -0.03 0.00 -2.81 0.00 0.00 60.65 57.84 1gxh h LYS 17 Cb 0.59 -0.12 0.01 0.00 -1.00 0.00 0.00 32.23 31.71 1gxh h LYS 17 CO -0.30 0.34 -0.32 0.97 -2.81 0.00 0.00 179.45 177.32 1gxh h ILE 18 N 0.53 0.00 0.00 2.00 2.10 -1.19 -2.24 117.51 118.71 1gxh h ILE 18 Ca 0.43 -0.28 -0.01 0.00 1.08 0.00 0.00 64.86 66.08 1gxh h ILE 18 Cb 0.87 0.00 -0.00 0.00 -1.09 0.00 0.00 36.82 36.60 1gxh h ILE 18 CO -0.17 0.00 -0.04 0.40 -1.08 0.00 0.00 178.15 177.26 1gxh h ILE 19 N -1.18 0.95 0.28 2.19 1.08 0.87 0.27 117.51 121.97 1gxh h ILE 19 Ca -0.09 -0.13 -0.01 0.00 -0.39 0.00 0.00 64.86 64.24 1gxh h ILE 19 Cb 0.69 1.07 0.00 0.00 -3.07 0.00 0.00 36.82 35.52 1gxh h ILE 19 CO 0.15 0.03 -0.14 -0.08 -0.69 0.00 0.00 178.15 177.43 1gxh h GLU 20 N 0.00 -0.37 -0.20 2.37 4.81 -0.19 -2.98 114.58 118.03 1gxh h GLU 20 Ca -0.00 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.31 1gxh h GLU 20 Cb 0.07 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1gxh h GLU 20 CO 0.00 -0.09 0.17 -0.44 -0.73 0.00 0.00 179.01 177.92 1gxh h ASP 21 N -0.62 0.00 0.70 1.04 3.32 0.11 0.34 116.42 121.31 1gxh h ASP 21 Ca -0.04 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 1gxh h ASP 21 Cb 0.44 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.00 1gxh h ASP 21 CO 0.06 0.00 -0.34 0.40 -1.72 0.00 0.00 179.24 177.65 1gxh h ILE 22 N 0.00 0.00 -0.07 0.35 2.04 -1.17 -1.85 117.51 116.81 1gxh h ILE 22 Ca 0.09 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 1gxh h ILE 22 Cb 0.44 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1gxh h ILE 22 CO -0.00 0.00 -0.05 0.40 0.00 0.00 0.00 178.15 178.50 1gxh h ILE 23 N -1.13 1.35 0.00 -0.67 2.04 -1.00 -2.46 117.51 115.63 1gxh h ILE 23 Ca -0.10 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.64 1gxh h ILE 23 Cb 0.73 1.95 0.00 0.00 -0.74 0.00 0.00 36.82 38.75 1gxh h ILE 23 CO 0.16 0.31 0.00 -0.55 0.00 0.00 0.00 178.15 178.07 1gxh h ASN 24 N -0.25 0.00 -0.95 1.72 7.08 -0.58 -3.46 115.58 119.14 1gxh h ASN 24 Ca 0.01 0.00 -0.13 0.00 -3.08 0.00 0.00 56.30 53.10 1gxh h ASN 24 Cb 0.52 0.00 -0.05 0.00 -2.08 0.00 0.00 38.32 36.71 1gxh h ASN 24 CO 0.01 0.00 -0.12 0.00 -2.08 0.00 0.00 177.43 175.24 1gxh s GLU 26 N -2.19 2.36 0.00 0.00 2.12 -1.26 -4.58 118.70 115.16 1gxh s GLU 26 Ca 0.00 0.48 0.00 0.00 0.36 0.00 0.00 54.97 55.81 1gxh s GLU 26 Cb 0.00 -4.68 0.00 0.00 0.26 0.00 0.00 34.13 29.71 1gxh s GLU 26 CO 0.00 -3.27 0.00 0.41 -0.54 0.00 0.00 175.26 171.86 1gxh n GLY 27 N 6.25 -0.50 1.12 -1.50 0.00 -1.26 -4.99 105.19 104.31 1gxh n GLY 27 Ca 0.33 -0.96 0.08 0.00 0.00 0.00 0.00 46.02 45.47 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 4.15 0.00 1.61 2.03 -1.26 -4.92 116.55 118.15 1gxh n ASP 28 Ca 0.00 -2.71 0.00 0.00 0.52 0.00 0.00 54.79 52.60 1gxh n ASP 28 Cb 0.00 -0.51 0.00 0.00 -0.72 0.00 0.00 41.12 39.89 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 0.15 0.00 0.17 -0.67 -0.58 -1.26 -4.58 120.64 113.87 1gxh n GLU 29 Ca 0.21 0.00 0.17 0.00 -0.42 0.00 0.00 57.16 57.13 1gxh n GLU 29 Cb 0.85 -1.55 0.80 0.00 -0.57 0.00 0.00 31.44 30.97 1gxh n GLU 29 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1gxh h LYS 30 N 0.03 0.00 -0.59 3.49 1.79 -1.97 -0.99 116.57 118.32 1gxh h LYS 30 Ca 0.00 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.43 1gxh h LYS 30 Cb 0.00 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.62 1gxh h LYS 30 CO 0.00 0.00 0.22 -0.22 -1.08 0.00 0.00 179.45 178.37 1gxh h LYS 31 N 0.00 0.89 -0.14 3.15 3.11 -1.92 0.22 116.57 121.88 1gxh h LYS 31 Ca 0.11 -0.17 -0.22 0.00 -2.81 0.00 0.00 60.65 57.56 1gxh h LYS 31 Cb 0.59 -0.14 0.01 0.00 -1.00 0.00 0.00 32.23 31.69 1gxh h LYS 31 CO -0.00 0.77 -0.79 -0.56 -2.81 0.00 0.00 179.45 176.06 1gxh h GLN 32 N 0.82 0.75 -0.64 1.90 3.07 -1.50 -3.09 115.11 116.41 1gxh h GLN 32 Ca 0.19 -0.62 0.05 0.00 0.09 0.00 0.00 58.65 58.36 1gxh h GLN 32 Cb 0.23 0.13 -0.05 0.00 0.08 0.00 0.00 27.48 27.87 1gxh h GLN 32 CO -0.01 1.23 0.36 0.22 0.09 0.00 0.00 178.83 180.72 1gxh h ASP 33 N 0.51 0.55 -0.15 0.06 1.82 -1.14 0.13 116.42 118.20 1gxh h ASP 33 Ca -0.05 0.02 -0.03 0.00 -0.39 0.00 0.00 57.03 56.58 1gxh h ASP 33 Cb 1.42 -0.09 -0.00 0.00 0.68 0.00 0.00 39.33 41.33 1gxh h ASP 33 CO 0.16 0.37 -0.03 -0.78 -1.61 0.00 0.00 179.24 177.35 1gxh h ASP 34 N 0.68 0.28 -0.28 2.28 3.58 -0.62 0.14 116.42 122.49 1gxh h ASP 34 Ca 0.28 -0.36 0.06 0.00 0.42 0.00 0.00 57.03 57.43 1gxh h ASP 34 Cb 0.13 -0.08 -0.06 0.00 1.72 0.00 0.00 39.33 41.04 1gxh h ASP 34 CO -0.16 0.58 -0.14 -1.13 -2.88 0.00 0.00 179.24 175.51 1gxh h ASN 35 N -0.01 -0.46 -0.44 2.28 -0.00 -1.49 -2.52 115.58 112.93 1gxh h ASN 35 Ca 0.04 0.11 0.02 0.00 -0.00 0.00 0.00 56.30 56.47 1gxh h ASN 35 Cb 0.45 0.25 -0.03 0.00 -0.00 0.00 0.00 38.32 39.00 1gxh h ASN 35 CO 0.01 -0.17 0.26 -0.07 -0.00 0.00 0.00 177.43 177.46 1gxh h LEU 36 N -0.10 0.42 0.03 0.34 3.38 0.12 0.45 115.31 119.95 1gxh h LEU 36 Ca 0.15 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.14 1gxh h LEU 36 Cb 0.32 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1gxh h LEU 36 CO -0.34 0.30 -0.13 -0.08 0.09 0.00 0.00 178.44 178.27 1gxh h GLU 37 N 0.52 -0.23 -0.87 1.13 4.22 -1.36 -2.25 114.58 115.73 1gxh h GLU 37 Ca 0.18 0.02 0.06 0.00 0.08 0.00 0.00 59.36 59.70 1gxh h GLU 37 Cb 0.02 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.26 1gxh h GLU 37 CO -0.08 -0.15 0.57 1.25 -2.18 0.00 0.00 179.01 178.41 1gxh h HIS 38 N -0.24 0.99 0.00 0.92 2.76 -0.52 0.21 115.15 119.28 1gxh h HIS 38 Ca 0.04 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 1gxh h HIS 38 Cb 0.28 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 28.92 1gxh h HIS 38 CO -0.18 0.52 0.00 0.35 -1.30 0.00 0.00 177.93 177.33 1gxh h PHE 39 N 0.98 0.00 0.05 5.26 3.57 0.02 0.47 116.94 127.29 1gxh h PHE 39 Ca 0.37 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.87 1gxh h PHE 39 Cb 0.21 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.95 1gxh h PHE 39 CO -0.00 0.00 -0.03 0.82 -2.23 0.00 0.00 178.31 176.87 1gxh h ILE 40 N 0.00 1.24 0.46 1.41 5.03 -0.10 -3.39 117.51 122.15 1gxh h ILE 40 Ca 0.00 -1.58 -0.02 0.00 -0.12 0.00 0.00 64.86 63.14 1gxh h ILE 40 Cb 0.33 2.19 0.00 0.00 -3.03 0.00 0.00 36.82 36.32 1gxh h ILE 40 CO 0.00 0.36 -0.22 -1.28 -0.68 0.00 0.00 178.15 176.33 1gxh h SER 41 N -0.85 -0.52 -0.28 1.72 0.87 0.12 -0.64 113.55 113.98 1gxh h SER 41 Ca -0.01 0.02 0.06 0.00 -1.23 0.00 0.00 61.79 60.63 1gxh h SER 41 Cb 0.65 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.73 1gxh h SER 41 CO 0.01 -0.37 0.19 -0.37 -0.53 0.00 0.00 176.83 175.76 1gxh h VAL 42 N -0.62 0.93 0.00 2.23 -1.51 -1.50 -3.21 116.25 112.57 1gxh h VAL 42 Ca -0.06 -0.04 -0.20 0.00 -1.23 0.00 0.00 66.70 65.17 1gxh h VAL 42 Cb 0.47 0.79 -0.03 0.00 -2.13 0.00 0.00 31.29 30.39 1gxh h VAL 42 CO 0.10 0.02 -1.12 0.74 -1.23 0.00 0.00 177.57 176.09 1gxh h THR 43 N 0.13 1.11 0.00 7.19 2.02 -1.61 -2.38 112.91 119.37 1gxh h THR 43 Ca 0.12 -2.73 0.00 0.00 0.77 0.00 0.00 66.41 64.58 1gxh h THR 43 Cb 0.34 2.51 0.00 0.00 -1.74 0.00 0.00 68.15 69.25 1gxh h THR 43 CO -0.02 0.63 0.00 -0.62 0.37 0.00 0.00 175.52 175.88 1gxh n GLU 44 N -3.17 -0.67 -2.44 6.66 1.02 -0.30 -4.91 120.64 116.83 1gxh n GLU 44 Ca -0.05 0.14 -0.43 0.00 -0.02 0.00 0.00 57.16 56.80 1gxh n GLU 44 Cb 0.90 -4.09 -0.02 0.00 -0.02 0.00 0.00 31.44 28.20 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 -0.82 2.73 0.30 -0.32 2.46 -1.25 -4.91 115.29 113.47 1gxh s HIS 45 Ca 0.00 0.90 0.01 0.00 0.47 0.00 0.00 55.06 56.43 1gxh s HIS 45 Cb 0.00 -3.89 0.52 0.00 -0.13 0.00 0.00 32.58 29.08 1gxh s HIS 45 CO 0.00 -1.63 1.90 -1.00 -2.47 0.00 0.00 174.74 171.54 1gxh h PRO 46 N 9.17 1.01 -0.96 2.88 0.13 -1.93 0.83 132.00 143.13 1gxh h PRO 46 Ca -0.26 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.80 1gxh h PRO 46 Cb 1.09 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 1gxh h PRO 46 CO 1.03 0.67 0.01 0.43 -0.23 0.00 0.00 178.00 179.92 1gxh n SER 47 N -4.50 1.85 -4.56 1.44 7.64 -1.26 -4.94 113.62 109.29 1gxh n SER 47 Ca 0.15 -2.12 -0.52 0.00 1.01 0.00 0.00 58.87 57.38 1gxh n SER 47 Cb 0.22 -0.53 -0.06 0.00 -1.01 0.00 0.00 64.21 62.84 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 0.12 0.03 4.00 0.23 0.00 0.28 -0.81 105.19 109.05 1gxh n GLY 48 Ca 0.04 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.69 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 2.10 0.00 0.20 1.61 2.88 -1.26 -4.81 113.62 114.33 1gxh n SER 49 Ca 0.18 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.78 1gxh n SER 49 Cb 0.19 0.00 0.58 0.00 -0.75 0.00 0.00 64.21 64.23 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 0.11 0.79 -3.46 3.58 -1.34 -0.02 116.42 116.08 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 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.02 1gxh h ASP 50 CO 0.00 0.09 0.00 0.18 -2.88 0.00 0.00 179.24 176.63 1gxh n LEU 51 N -4.51 0.00 -0.04 2.28 7.99 -1.23 -0.77 117.00 120.71 1gxh n LEU 51 Ca -0.02 0.45 -0.05 0.00 -0.01 0.00 0.00 56.01 56.38 1gxh n LEU 51 Cb 0.09 -0.45 -0.05 0.00 -0.11 0.00 0.00 43.42 42.90 1gxh n LEU 51 CO 0.34 -0.05 -0.77 -0.38 -1.51 0.00 0.00 177.39 175.02 1gxh n ILE 52 N -1.45 0.52 -0.07 -0.08 5.41 -0.33 -4.53 119.36 118.82 1gxh n ILE 52 Ca 0.08 -0.26 -0.22 0.00 1.00 0.00 0.00 62.75 63.35 1gxh n ILE 52 Cb 0.28 -0.82 -0.12 0.00 -0.71 0.00 0.00 39.64 38.27 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 -2.51 0.70 -3.09 1.39 4.02 -0.17 -4.75 117.16 112.76 1gxh n TYR 53 Ca -0.14 0.19 -0.21 0.00 -0.01 0.00 0.00 57.90 57.73 1gxh n TYR 53 Cb 0.71 -1.09 -0.03 0.00 -0.02 0.00 0.00 39.34 38.91 1gxh n TYR 53 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1gxh n TYR 54 N -3.71 1.52 -1.87 -0.72 4.01 0.05 -5.07 117.16 111.36 1gxh n TYR 54 Ca -0.39 -3.84 -0.36 0.00 -0.16 0.00 0.00 57.90 53.15 1gxh n TYR 54 Cb 0.94 -0.44 0.05 0.00 -0.31 0.00 0.00 39.34 39.58 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 -2.81 2.76 0.68 -0.72 0.04 -1.17 -4.69 135.00 129.08 1gxh s PRO 55 Ca 0.43 1.86 -0.11 0.00 0.04 0.00 0.00 61.00 63.21 1gxh s PRO 55 Cb 0.33 -1.90 0.16 0.00 0.04 0.00 0.00 34.50 33.13 1gxh s PRO 55 CO -0.10 -1.38 0.89 -0.85 0.04 0.00 0.00 177.00 175.60 1gxh n GLU 56 N -1.84 -1.00 -0.53 4.56 -0.00 -1.26 -5.00 120.64 115.57 1gxh n GLU 56 Ca 0.14 -1.37 0.10 0.00 -0.00 0.00 0.00 57.16 56.03 1gxh n GLU 56 Cb 0.49 -0.94 0.34 0.00 -0.00 0.00 0.00 31.44 31.34 1gxh n GLU 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1gxh n GLY 57 N -1.00 2.57 0.01 -1.84 0.00 -1.26 -2.72 105.19 100.94 1gxh n GLY 57 Ca 0.11 -0.82 0.13 0.00 0.00 0.00 0.00 46.02 45.44 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 1.31 0.20 -4.48 1.61 5.15 -1.26 -4.96 115.26 112.83 1gxh n ASN 58 Ca 0.25 0.29 -0.23 0.00 -0.60 0.00 0.00 54.58 54.29 1gxh n ASN 58 Cb 0.79 -0.29 -0.11 0.00 -0.53 0.00 0.00 39.78 39.64 1gxh n ASN 58 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1gxh s ASN 59 N -3.12 2.88 0.00 1.20 2.47 -1.10 -4.84 114.94 112.43 1gxh s ASN 59 Ca 0.13 -1.29 0.00 0.00 0.42 0.00 0.00 52.86 52.12 1gxh s ASN 59 Cb 0.18 -0.19 0.00 0.00 -1.45 0.00 0.00 41.25 39.79 1gxh s ASN 59 CO 0.59 -0.45 0.00 -0.67 -3.72 0.00 0.00 177.10 172.85 1gxh n ASP 60 N -0.70 0.00 0.16 -4.21 2.03 -1.26 -4.83 116.55 107.74 1gxh n ASP 60 Ca -0.04 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.32 1gxh n ASP 60 Cb 0.65 0.00 0.50 0.00 -0.72 0.00 0.00 41.12 41.55 1gxh n ASP 60 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1gxh h GLY 61 N 0.00 0.18 -3.75 0.27 0.00 -1.97 -3.42 103.07 94.38 1gxh h GLY 61 Ca 0.00 -0.09 0.08 0.00 0.00 0.00 0.00 47.33 47.33 1gxh h GLY 61 CO 0.00 0.08 0.48 -0.56 0.00 0.00 0.00 176.54 176.54 1gxh s SER 62 N -6.93 -0.40 0.00 0.19 0.01 -1.26 -5.02 113.70 100.29 1gxh s SER 62 Ca -0.06 0.19 0.09 0.00 1.31 0.00 0.00 55.95 57.49 1gxh s SER 62 Cb 0.16 0.38 0.56 0.00 0.21 0.00 0.00 66.02 67.34 1gxh s SER 62 CO 0.70 -0.54 0.99 -0.81 0.41 0.00 0.00 173.24 173.99 1gxh n PRO 63 N 0.17 0.41 -0.17 12.44 -0.04 -1.26 -1.52 135.00 145.03 1gxh n PRO 63 Ca -0.10 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.37 1gxh n PRO 63 Cb 0.60 -1.36 0.29 0.00 -0.04 0.00 0.00 33.50 32.99 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 0.88 -0.51 0.54 4.39 -1.97 -0.54 114.58 117.37 1gxh h GLU 64 Ca 0.00 -0.05 0.15 0.00 0.34 0.00 0.00 59.36 59.79 1gxh h GLU 64 Cb 0.00 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.43 1gxh h GLU 64 CO 0.00 0.58 0.47 0.00 -1.16 0.00 0.00 179.01 178.90 1gxh h ALA 65 N 1.58 2.30 0.11 3.43 0.00 -1.61 0.29 119.26 125.36 1gxh h ALA 65 Ca 0.26 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.89 1gxh h ALA 65 Cb -0.07 0.04 0.03 0.00 0.00 0.00 0.00 17.79 17.79 1gxh h ALA 65 CO -0.06 -0.73 -1.09 0.28 0.00 0.00 0.00 179.25 177.64 1gxh h VAL 66 N 0.00 1.34 -0.60 0.00 2.07 -1.31 -2.32 116.25 115.43 1gxh h VAL 66 Ca 0.24 -2.41 -0.07 0.00 0.82 0.00 0.00 66.70 65.28 1gxh h VAL 66 Cb 1.18 2.76 -0.03 0.00 -1.52 0.00 0.00 31.29 33.68 1gxh h VAL 66 CO -0.00 0.72 0.09 0.40 0.02 0.00 0.00 177.57 178.80 1gxh h ILE 67 N 0.13 1.25 0.00 4.57 5.03 -0.75 0.14 117.51 127.88 1gxh h ILE 67 Ca -0.17 -0.97 0.00 0.00 -0.12 0.00 0.00 64.86 63.60 1gxh h ILE 67 Cb 1.79 0.69 0.00 0.00 -3.03 0.00 0.00 36.82 36.27 1gxh h ILE 67 CO 0.21 0.36 0.00 0.29 -0.68 0.00 0.00 178.15 178.33 1gxh n LYS 68 N -4.23 0.00 0.33 2.37 5.02 0.84 -1.36 118.16 121.13 1gxh n LYS 68 Ca 0.04 0.72 0.22 0.00 -2.02 0.00 0.00 58.31 57.27 1gxh n LYS 68 Cb 0.28 -1.35 1.12 0.00 -0.02 0.00 0.00 35.03 35.05 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 0.43 1.97 3.07 -0.45 0.68 114.58 120.28 1gxh h GLU 69 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 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 -0.21 0.82 -1.40 0.00 0.00 179.01 178.23 1gxh h ILE 70 N 0.00 0.00 -0.64 3.13 5.03 -0.74 0.48 117.51 124.77 1gxh h ILE 70 Ca -0.00 -0.55 0.13 0.00 -0.12 0.00 0.00 64.86 64.31 1gxh h ILE 70 Cb 0.10 0.00 -0.12 0.00 -3.03 0.00 0.00 36.82 33.77 1gxh h ILE 70 CO 0.00 0.00 -0.17 0.11 -0.68 0.00 0.00 178.15 177.41 1gxh h LYS 71 N -1.13 -0.01 -0.07 2.37 1.57 0.80 -0.08 116.57 120.01 1gxh h LYS 71 Ca -0.06 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.61 1gxh h LYS 71 Cb 0.44 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.76 1gxh h LYS 71 CO 0.10 -0.01 -0.40 0.93 -0.57 0.00 0.00 179.45 179.50 1gxh h GLU 72 N -0.01 0.40 0.44 3.15 3.07 0.16 0.25 114.58 122.05 1gxh h GLU 72 Ca 0.31 -0.34 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 1gxh h GLU 72 Cb 0.48 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.45 1gxh h GLU 72 CO -0.67 0.98 -0.34 2.35 -1.40 0.00 0.00 179.01 179.93 1gxh h TRP 73 N -0.06 -0.90 -0.87 4.33 7.01 -0.86 0.24 115.95 124.84 1gxh h TRP 73 Ca -0.03 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.01 1gxh h TRP 73 Cb 1.06 0.34 -0.05 0.00 -2.10 0.00 0.00 29.16 28.40 1gxh h TRP 73 CO 0.13 -0.50 0.57 0.00 -2.79 0.00 0.00 178.44 175.85 1gxh h ARG 74 N -0.77 1.04 0.75 2.65 2.47 -0.87 -0.08 114.38 119.56 1gxh h ARG 74 Ca -0.04 -0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 58.58 1gxh h ARG 74 Cb 0.66 -0.23 0.00 0.00 -1.65 0.00 0.00 29.97 28.75 1gxh h ARG 74 CO 0.00 0.69 -0.42 0.00 0.56 0.00 0.00 179.97 180.80 1gxh h ALA 75 N 1.50 -1.26 -0.91 0.04 0.00 -0.26 0.13 119.26 118.50 1gxh h ALA 75 Ca 0.35 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1gxh h ALA 75 Cb 0.05 0.50 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1gxh h ALA 75 CO -0.11 -1.20 0.60 0.00 0.00 0.00 0.00 179.25 178.54 1gxh h ALA 76 N -1.36 1.19 0.00 0.00 0.00 -0.61 -1.03 119.26 117.45 1gxh h ALA 76 Ca -0.10 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1gxh h ALA 76 Cb 0.85 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1gxh h ALA 76 CO 0.13 0.48 -0.26 -0.91 0.00 0.00 0.00 179.25 178.70 1gxh h ASN 77 N 1.17 0.00 0.00 0.00 2.35 -1.02 -3.44 115.58 114.64 1gxh h ASN 77 Ca 0.36 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 1gxh h ASN 77 Cb -0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1gxh h ASN 77 CO -0.11 0.26 0.00 0.61 -1.65 0.00 0.00 177.43 176.54 1gxh n GLY 78 N 0.28 0.00 0.00 2.83 0.00 -0.80 -5.08 105.19 102.42 1gxh n GLY 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1gxh n GLY 78 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1gxh n LYS 79 N 0.00 0.00 -2.92 1.61 -0.00 0.37 -4.94 118.16 112.28 1gxh n LYS 79 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1gxh n LYS 79 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1gxh n LYS 79 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1gxh s SER 80 N 0.00 -0.90 0.20 -5.58 0.01 -1.25 -4.94 113.70 101.24 1gxh s SER 80 Ca 0.00 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 56.67 1gxh s SER 80 Cb 0.00 1.15 0.00 0.00 0.21 0.00 0.00 66.02 67.38 1gxh s SER 80 CO 0.00 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.18 1gxh n GLY 81 N 3.75 0.31 2.96 3.44 0.00 -1.26 -4.76 105.19 109.63 1gxh n GLY 81 Ca 0.10 -1.83 -0.28 0.00 0.00 0.00 0.00 46.02 44.01 1gxh n GLY 81 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1gxh n PHE 82 N -0.55 -3.69 -0.96 1.61 1.16 -1.14 -3.51 117.46 110.39 1gxh n PHE 82 Ca 0.00 -0.77 -0.32 0.00 -1.87 0.00 0.00 57.45 54.49 1gxh n PHE 82 Cb 0.00 -1.15 -0.02 0.00 -1.61 0.00 0.00 39.48 36.70 1gxh n PHE 82 CO 0.00 0.00 0.00 1.17 -1.87 0.00 0.00 176.76 176.06 1gxh n LYS 83 N -5.51 0.00 -0.65 3.97 0.00 -1.00 -4.69 118.16 110.28 1gxh n LYS 83 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 58.31 58.37 1gxh n LYS 83 Cb 0.56 -0.69 -0.09 0.00 0.00 0.00 0.00 35.03 34.80 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 0.73 1.30 0.00 1.64 7.27 -1.26 -4.43 117.38 122.63 1gxh n GLN 84 Ca 0.12 -0.55 0.16 0.00 0.07 0.00 0.00 57.00 56.80 1gxh n GLN 84 Cb 0.19 -1.68 0.95 0.00 2.41 0.00 0.00 30.24 32.11 1gxh n GLN 84 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54