#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nxi n SER 2 N 0.00 3.75 -4.39 7.83 7.64 -1.26 -5.03 113.62 122.16 1nxi n SER 2 Ca 0.00 -3.28 -0.40 0.00 1.01 0.00 0.00 58.87 56.20 1nxi n SER 2 Cb 0.00 -0.83 -0.11 0.00 -1.01 0.00 0.00 64.21 62.25 1nxi n SER 2 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1nxi s HIS 3 N -1.84 3.24 0.23 1.43 3.76 -1.26 -5.05 115.29 115.80 1nxi s HIS 3 Ca 0.30 -0.89 -0.29 0.00 -0.15 0.00 0.00 55.06 54.04 1nxi s HIS 3 Cb 0.01 -2.44 -0.16 0.00 1.11 0.00 0.00 32.58 31.10 1nxi s HIS 3 CO -0.10 -0.62 0.80 0.94 -0.85 0.00 0.00 174.74 174.91 1nxi n GLN 4 N 5.01 0.68 -3.82 1.40 7.27 -1.26 -4.97 117.38 121.69 1nxi n GLN 4 Ca -0.12 0.24 -0.12 0.00 0.07 0.00 0.00 57.00 57.07 1nxi n GLN 4 Cb 0.46 -1.45 -0.10 0.00 2.41 0.00 0.00 30.24 31.56 1nxi n GLN 4 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1nxi s ASP 5 N -0.70 -0.11 -0.24 1.69 -1.08 -1.26 -5.13 116.67 109.83 1nxi s ASP 5 Ca 0.63 0.09 0.01 0.00 -0.52 0.00 0.00 52.55 52.77 1nxi s ASP 5 Cb -0.84 0.32 0.06 0.00 -1.46 0.00 0.00 42.92 41.01 1nxi s ASP 5 CO 0.57 -0.29 -0.07 -1.81 0.52 0.00 0.00 175.17 174.10 1nxi s ASP 6 N -0.84 4.04 -0.48 -0.34 1.11 -1.26 -5.01 116.67 113.89 1nxi s ASP 6 Ca -0.09 -1.26 0.08 0.00 0.18 0.00 0.00 52.55 51.46 1nxi s ASP 6 Cb -0.05 -1.29 0.34 0.00 1.07 0.00 0.00 42.92 42.99 1nxi s ASP 6 CO 0.02 -0.23 0.83 -1.22 1.18 0.00 0.00 175.17 175.75 1nxi n TYR 7 N 4.60 2.12 -4.02 4.23 4.02 -1.26 -5.03 117.16 121.82 1nxi n TYR 7 Ca -0.12 -3.91 -0.33 0.00 -0.01 0.00 0.00 57.90 53.53 1nxi n TYR 7 Cb 0.43 -0.46 -0.15 0.00 -0.02 0.00 0.00 39.34 39.15 1nxi n TYR 7 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1nxi s LEU 8 N -2.89 3.80 -0.06 7.72 0.20 -1.26 -5.10 118.68 121.10 1nxi s LEU 8 Ca 0.44 -1.50 -0.01 0.00 0.69 0.00 0.00 54.13 53.75 1nxi s LEU 8 Cb 0.30 -1.61 -0.03 0.00 -0.43 0.00 0.00 46.19 44.42 1nxi s LEU 8 CO -0.11 -0.25 0.01 -0.44 -0.29 0.00 0.00 176.35 175.28 1nxi s SER 9 N 1.13 5.25 0.38 3.68 0.01 -1.26 -4.99 113.70 117.90 1nxi s SER 9 Ca -0.05 0.11 0.22 0.00 1.31 0.00 0.00 55.95 57.55 1nxi s SER 9 Cb -0.20 -1.46 0.25 0.00 0.21 0.00 0.00 66.02 64.83 1nxi s SER 9 CO -0.05 0.35 1.47 0.58 0.41 0.00 0.00 173.24 176.01 1nxi h VAL 10 N 3.94 0.04 0.00 3.43 2.07 -2.00 -3.24 116.25 120.49 1nxi h VAL 10 Ca -0.50 -1.06 -0.05 0.00 0.82 0.00 0.00 66.70 65.90 1nxi h VAL 10 Cb 1.19 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 1nxi h VAL 10 CO 0.56 0.02 -0.28 -0.08 0.02 0.00 0.00 177.57 177.81 1nxi h GLU 11 N 0.00 0.00 -0.53 1.57 4.22 -1.99 -3.10 114.58 114.75 1nxi h GLU 11 Ca -0.00 -0.01 0.09 0.00 0.08 0.00 0.00 59.36 59.52 1nxi h GLU 11 Cb 1.02 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.20 1nxi h GLU 11 CO 0.00 1.00 0.12 1.05 -2.18 0.00 0.00 179.01 179.01 1nxi h GLU 12 N -0.99 0.25 -0.59 1.92 4.11 -2.00 0.89 114.58 118.18 1nxi h GLU 12 Ca -0.08 -0.02 0.04 0.00 0.07 0.00 0.00 59.36 59.37 1nxi h GLU 12 Cb 1.07 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.22 1nxi h GLU 12 CO -0.04 0.17 0.35 -0.07 0.07 0.00 0.00 179.01 179.48 1nxi h LEU 13 N 0.26 0.55 -0.89 3.06 3.38 -1.69 -0.97 115.31 119.02 1nxi h LEU 13 Ca 0.27 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.20 1nxi h LEU 13 Cb 0.36 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1nxi h LEU 13 CO -0.34 0.38 0.23 0.40 0.09 0.00 0.00 178.44 179.20 1nxi h ILE 14 N 0.68 1.25 0.23 1.22 2.04 -1.11 -2.44 117.51 119.38 1nxi h ILE 14 Ca 0.25 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 1nxi h ILE 14 Cb 0.07 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1nxi h ILE 14 CO -0.12 0.33 -0.11 -0.08 0.00 0.00 0.00 178.15 178.16 1nxi h GLU 15 N 1.02 -0.30 -0.26 2.37 4.22 0.00 -1.50 114.58 120.13 1nxi h GLU 15 Ca 0.23 0.02 0.02 0.00 0.08 0.00 0.00 59.36 59.71 1nxi h GLU 15 Cb 0.26 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1nxi h GLU 15 CO -0.01 -0.20 -0.18 0.82 -2.18 0.00 0.00 179.01 177.26 1nxi h ILE 16 N -0.37 0.00 -1.46 2.32 2.04 -1.25 1.65 117.51 120.44 1nxi h ILE 16 Ca -0.03 0.00 0.43 0.00 1.00 0.00 0.00 64.86 66.26 1nxi h ILE 16 Cb 0.24 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.24 1nxi h ILE 16 CO 0.05 0.00 1.03 1.56 0.00 0.00 0.00 178.15 180.79 1nxi h GLN 17 N -0.03 0.05 0.24 2.37 4.20 -1.52 0.41 115.11 120.83 1nxi h GLN 17 Ca 0.04 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 1nxi h GLN 17 Cb 0.14 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1nxi h GLN 17 CO -0.26 0.03 -0.21 -0.22 -0.67 0.00 0.00 178.83 177.50 1nxi h LYS 18 N 0.05 -0.45 0.28 1.46 3.64 0.35 -0.13 116.57 121.78 1nxi h LYS 18 Ca 0.73 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 60.13 1nxi h LYS 18 Cb 2.75 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 34.68 1nxi h LYS 18 CO -0.10 -0.30 -0.14 0.93 -2.27 0.00 0.00 179.45 177.58 1nxi h GLU 19 N -0.46 -0.37 -0.84 1.90 4.39 0.22 -2.81 114.58 116.61 1nxi h GLU 19 Ca -0.01 0.03 0.12 0.00 0.34 0.00 0.00 59.36 59.83 1nxi h GLU 19 Cb 0.42 0.08 -0.13 0.00 -0.10 0.00 0.00 28.75 29.03 1nxi h GLU 19 CO -0.03 -0.25 -0.37 -1.91 -1.16 0.00 0.00 179.01 175.30 1nxi n GLU 20 N -4.62 -0.23 0.21 2.33 2.13 -0.19 -0.01 120.64 120.24 1nxi n GLU 20 Ca -0.05 1.29 -0.17 0.00 0.66 0.00 0.00 57.16 58.89 1nxi n GLU 20 Cb 0.15 -1.92 -0.10 0.00 0.27 0.00 0.00 31.44 29.85 1nxi n GLU 20 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1nxi h THR 21 N 0.00 0.01 -0.99 6.31 2.02 -1.10 -0.59 112.91 118.57 1nxi h THR 21 Ca 0.26 0.00 0.31 0.00 0.77 0.00 0.00 66.41 67.75 1nxi h THR 21 Cb 0.47 0.01 -0.15 0.00 -1.74 0.00 0.00 68.15 66.74 1nxi h THR 21 CO -0.83 0.00 0.53 -0.09 0.37 0.00 0.00 175.52 175.50 1nxi h ARG 22 N -0.89 0.31 -0.29 6.66 2.43 -0.15 0.36 114.38 122.80 1nxi h ARG 22 Ca -0.03 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.16 1nxi h ARG 22 Cb 0.82 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.26 1nxi h ARG 22 CO -0.17 0.21 0.02 0.22 -1.51 0.00 0.00 179.97 178.73 1nxi h ASP 23 N 0.32 -0.08 0.13 -3.80 3.58 0.66 -1.43 116.42 115.81 1nxi h ASP 23 Ca 0.71 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 58.21 1nxi h ASP 23 Cb 1.58 0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.74 1nxi h ASP 23 CO -0.61 -0.01 -0.06 0.40 -2.88 0.00 0.00 179.24 176.08 1nxi h ILE 24 N 0.11 0.00 -1.57 2.25 2.04 0.10 -2.36 117.51 118.08 1nxi h ILE 24 Ca 0.14 -0.04 0.47 0.00 1.00 0.00 0.00 64.86 66.43 1nxi h ILE 24 Cb 0.17 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.17 1nxi h ILE 24 CO -0.22 0.00 1.11 -0.38 0.00 0.00 0.00 178.15 178.66 1nxi n ILE 25 N -2.60 -0.05 -0.04 -0.67 2.08 -0.76 0.20 119.36 117.52 1nxi n ILE 25 Ca -0.02 1.34 -0.15 0.00 0.56 0.00 0.00 62.75 64.48 1nxi n ILE 25 Cb 0.07 -2.22 -0.09 0.00 -0.75 0.00 0.00 39.64 36.65 1nxi n ILE 25 CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 1nxi h GLN 26 N 0.00 0.38 -0.12 0.38 1.08 -0.98 -1.41 115.11 114.43 1nxi h GLN 26 Ca 0.79 -0.29 -0.14 0.00 -1.45 0.00 0.00 58.65 57.57 1nxi h GLN 26 Cb 3.04 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 30.51 1nxi h GLN 26 CO -0.11 0.91 -0.53 0.00 -0.95 0.00 0.00 178.83 178.16 1nxi h ALA 27 N 0.47 0.86 0.31 3.87 0.00 0.29 -2.09 119.26 122.97 1nxi h ALA 27 Ca -0.01 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 1nxi h ALA 27 Cb 0.95 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1nxi h ALA 27 CO 0.07 0.68 -0.15 1.25 0.00 0.00 0.00 179.25 181.10 1nxi h LEU 28 N 0.28 -0.35 0.10 0.00 6.46 -0.96 -2.38 115.31 118.46 1nxi h LEU 28 Ca 0.01 -0.19 0.02 0.00 -0.12 0.00 0.00 57.88 57.60 1nxi h LEU 28 Cb 1.02 0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 41.00 1nxi h LEU 28 CO 0.09 0.10 -0.32 0.25 -0.62 0.00 0.00 178.44 177.93 1nxi h LEU 29 N -0.91 -0.94 -0.88 2.25 6.46 -1.31 -0.87 115.31 119.12 1nxi h LEU 29 Ca -0.04 0.11 0.23 0.00 -0.12 0.00 0.00 57.88 58.05 1nxi h LEU 29 Cb 0.52 0.36 -0.13 0.00 -0.73 0.00 0.00 40.66 40.67 1nxi h LEU 29 CO 0.07 -0.41 0.30 -0.08 -0.62 0.00 0.00 178.44 177.70 1nxi h GLU 30 N -0.54 0.27 -0.54 1.25 4.81 -1.45 1.51 114.58 119.89 1nxi h GLU 30 Ca 0.04 -0.02 0.16 0.00 -0.13 0.00 0.00 59.36 59.41 1nxi h GLU 30 Cb 0.57 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 1nxi h GLU 30 CO -0.20 0.18 0.51 0.22 -0.73 0.00 0.00 179.01 178.98 1nxi h ASP 31 N 0.28 0.00 0.00 1.04 1.82 -0.60 -3.44 116.42 115.52 1nxi h ASP 31 Ca 0.55 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.19 1nxi h ASP 31 Cb 1.09 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.10 1nxi h ASP 31 CO -0.60 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 177.64 1nxi n GLY 32 N -1.55 1.70 1.55 -0.78 0.00 0.52 -5.10 105.19 101.52 1nxi n GLY 32 Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 1nxi n GLY 32 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nxi n SER 33 N 0.00 -2.41 -3.56 1.61 3.41 -1.19 -4.98 113.62 106.49 1nxi n SER 33 Ca 0.00 -0.30 -0.29 0.00 -0.26 0.00 0.00 58.87 58.02 1nxi n SER 33 Cb 0.00 -0.42 -0.13 0.00 -0.26 0.00 0.00 64.21 63.40 1nxi n SER 33 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1nxi s ASP 34 N -2.02 3.30 0.47 4.04 1.11 -1.26 -4.98 116.67 117.32 1nxi s ASP 34 Ca 0.23 -2.19 0.14 0.00 0.18 0.00 0.00 52.55 50.90 1nxi s ASP 34 Cb -0.04 -0.62 1.08 0.00 1.07 0.00 0.00 42.92 44.41 1nxi s ASP 34 CO 0.19 -0.32 2.06 -0.65 1.18 0.00 0.00 175.17 177.63 1nxi h PRO 35 N 7.14 0.09 0.00 8.23 0.11 -1.93 -1.94 132.00 143.70 1nxi h PRO 35 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1nxi h PRO 35 Cb 0.96 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1nxi h PRO 35 CO 0.36 0.14 0.00 -3.47 -0.21 0.00 0.00 178.00 174.82 1nxi n ASP 36 N -4.43 0.00 -1.07 -2.05 -0.08 -1.26 -1.51 116.55 106.15 1nxi n ASP 36 Ca -0.02 -0.28 0.04 0.00 -1.51 0.00 0.00 54.79 53.02 1nxi n ASP 36 Cb 0.16 0.00 0.25 0.00 2.34 0.00 0.00 41.12 43.86 1nxi n ASP 36 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1nxi n ALA 37 N -0.98 3.49 -1.24 -1.67 0.00 -0.73 -5.08 120.51 114.31 1nxi n ALA 37 Ca 0.06 -2.54 0.14 0.00 0.00 0.00 0.00 53.44 51.10 1nxi n ALA 37 Cb 0.03 -0.77 -0.06 0.00 0.00 0.00 0.00 19.45 18.65 1nxi n ALA 37 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1nxi n LEU 38 N -0.66 -0.71 -3.98 0.00 7.99 -0.57 -4.96 117.00 114.10 1nxi n LEU 38 Ca 0.27 1.64 -0.09 0.00 -0.01 0.00 0.00 56.01 57.82 1nxi n LEU 38 Cb 0.98 -3.63 -0.11 0.00 -0.11 0.00 0.00 43.42 40.55 1nxi n LEU 38 CO 0.19 -2.14 -0.34 -0.31 -1.51 0.00 0.00 177.39 173.29 1nxi s TYR 39 N -3.58 0.28 -0.22 -1.77 1.51 -0.26 -4.81 117.35 108.50 1nxi s TYR 39 Ca 0.00 -0.57 -0.07 0.00 -1.01 0.00 0.00 57.07 55.41 1nxi s TYR 39 Cb 0.00 -0.20 -0.03 0.00 -0.11 0.00 0.00 41.96 41.61 1nxi s TYR 39 CO 0.00 -0.23 0.07 -1.83 -1.11 0.00 0.00 175.55 172.45 1nxi s GLU 40 N -1.86 3.79 -0.09 -0.62 -1.05 -1.26 -0.91 118.70 116.71 1nxi s GLU 40 Ca -0.12 -0.42 -0.09 0.00 -0.15 0.00 0.00 54.97 54.19 1nxi s GLU 40 Cb -0.07 -3.29 -0.05 0.00 -0.44 0.00 0.00 34.13 30.28 1nxi s GLU 40 CO -0.02 -0.00 0.22 0.42 0.95 0.00 0.00 175.26 176.83 1nxi s ILE 41 N 1.12 5.37 -0.25 1.83 -1.09 0.52 -3.60 121.20 125.10 1nxi s ILE 41 Ca 0.04 0.40 -0.00 0.00 -2.23 0.00 0.00 60.65 58.86 1nxi s ILE 41 Cb -0.14 -3.49 0.04 0.00 -1.58 0.00 0.00 42.46 37.28 1nxi s ILE 41 CO 0.03 0.61 -0.08 -0.70 -1.23 0.00 0.00 174.94 173.57 1nxi s GLU 42 N -1.03 2.64 -0.09 2.79 2.12 0.01 -1.59 118.70 123.55 1nxi s GLU 42 Ca 0.18 -1.10 -0.03 0.00 0.36 0.00 0.00 54.97 54.37 1nxi s GLU 42 Cb -0.13 -2.95 -0.04 0.00 0.26 0.00 0.00 34.13 31.27 1nxi s GLU 42 CO 0.07 -0.46 0.06 -1.01 -0.54 0.00 0.00 175.26 173.38 1nxi s HIS 43 N 1.25 3.33 -0.25 5.30 3.76 0.26 -1.49 115.29 127.46 1nxi s HIS 43 Ca -0.02 0.31 0.02 0.00 -0.15 0.00 0.00 55.06 55.21 1nxi s HIS 43 Cb -0.18 -1.84 0.05 0.00 1.11 0.00 0.00 32.58 31.73 1nxi s HIS 43 CO -0.05 0.57 -0.11 -1.58 -0.85 0.00 0.00 174.74 172.72 1nxi s HIS 44 N -0.97 3.16 0.06 1.40 2.46 0.56 -0.71 115.29 121.26 1nxi s HIS 44 Ca 0.15 -2.07 0.08 0.00 0.47 0.00 0.00 55.06 53.69 1nxi s HIS 44 Cb -0.12 -1.96 -0.03 0.00 -0.13 0.00 0.00 32.58 30.34 1nxi s HIS 44 CO 0.04 -0.84 -0.22 -0.51 -2.47 0.00 0.00 174.74 170.74 1nxi s LEU 45 N 1.18 2.21 0.24 8.88 1.02 -0.84 -4.24 118.68 127.13 1nxi s LEU 45 Ca -0.05 -0.58 0.03 0.00 0.02 0.00 0.00 54.13 53.54 1nxi s LEU 45 Cb -0.18 -1.00 -0.05 0.00 0.02 0.00 0.00 46.19 44.97 1nxi s LEU 45 CO -0.06 0.15 0.04 0.72 0.02 0.00 0.00 176.35 177.22 1nxi s PHE 46 N -0.90 1.56 0.29 0.29 -0.12 -1.26 -1.26 117.98 116.57 1nxi s PHE 46 Ca 0.08 -1.02 -0.14 0.00 -0.05 0.00 0.00 56.93 55.81 1nxi s PHE 46 Cb -0.09 -0.92 0.01 0.00 -0.63 0.00 0.00 43.02 41.38 1nxi s PHE 46 CO 0.03 -0.15 0.57 0.00 -0.05 0.00 0.00 175.22 175.62 1nxi s ALA 47 N -3.54 -0.38 -0.08 1.99 0.00 -0.94 -4.13 121.76 114.68 1nxi s ALA 47 Ca 0.32 -0.83 0.10 0.00 0.00 0.00 0.00 51.96 51.55 1nxi s ALA 47 Cb 0.07 0.98 -0.14 0.00 0.00 0.00 0.00 23.12 24.03 1nxi s ALA 47 CO 0.10 -0.90 0.09 0.39 0.00 0.00 0.00 175.76 175.44 1nxi n GLU 48 N -0.44 1.78 -3.55 0.00 1.02 -1.26 -3.33 120.64 114.85 1nxi n GLU 48 Ca -0.03 -0.03 -0.41 0.00 -0.02 0.00 0.00 57.16 56.67 1nxi n GLU 48 Cb 0.61 -1.27 -0.09 0.00 -0.02 0.00 0.00 31.44 30.67 1nxi n GLU 48 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1nxi s ASP 49 N -4.05 5.72 0.38 1.62 1.11 -1.26 -4.91 116.67 115.28 1nxi s ASP 49 Ca -0.05 -1.83 0.08 0.00 0.18 0.00 0.00 52.55 50.94 1nxi s ASP 49 Cb 0.04 -2.02 0.46 0.00 1.07 0.00 0.00 42.92 42.47 1nxi s ASP 49 CO 0.44 -0.67 1.12 2.19 1.18 0.00 0.00 175.17 179.43 1nxi h PHE 50 N 8.46 0.00 0.42 4.23 -0.00 -1.98 -0.32 116.94 127.75 1nxi h PHE 50 Ca -0.22 0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 57.73 1nxi h PHE 50 Cb 1.08 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.03 1nxi h PHE 50 CO 0.64 0.00 -0.20 -0.44 -0.00 0.00 0.00 178.31 178.31 1nxi h ASP 51 N 0.00 -0.48 0.28 -0.68 3.32 -2.00 -1.55 116.42 115.31 1nxi h ASP 51 Ca 0.00 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 1nxi h ASP 51 Cb 1.06 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 1nxi h ASP 51 CO 0.00 -0.20 -0.24 0.07 -1.72 0.00 0.00 179.24 177.14 1nxi h LYS 52 N -0.84 0.00 0.11 3.56 2.10 -1.52 -2.45 116.57 117.53 1nxi h LYS 52 Ca -0.06 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.59 1nxi h LYS 52 Cb 0.43 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.76 1nxi h LYS 52 CO 0.09 0.24 -0.05 1.25 -2.00 0.00 0.00 179.45 178.99 1nxi h LEU 53 N 0.00 -0.12 -0.03 7.07 6.46 -1.29 -0.44 115.31 126.96 1nxi h LEU 53 Ca -0.00 -0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.73 1nxi h LEU 53 Cb 0.45 0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.41 1nxi h LEU 53 CO 0.03 -0.05 0.02 -0.33 -0.62 0.00 0.00 178.44 177.49 1nxi h GLU 54 N -0.18 0.04 0.03 1.25 5.08 -1.02 -0.24 114.58 119.54 1nxi h GLU 54 Ca -0.01 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1nxi h GLU 54 Cb 0.14 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.33 1nxi h GLU 54 CO 0.02 0.10 -0.43 -0.22 -1.00 0.00 0.00 179.01 177.48 1nxi h LYS 55 N -0.03 -0.58 -0.25 2.33 1.63 -1.28 0.16 116.57 118.55 1nxi h LYS 55 Ca 0.01 0.04 0.05 0.00 -0.85 0.00 0.00 60.65 59.90 1nxi h LYS 55 Cb 0.07 0.13 -0.05 0.00 -0.60 0.00 0.00 32.23 31.79 1nxi h LYS 55 CO -0.00 -0.39 -0.04 0.00 -3.45 0.00 0.00 179.45 175.57 1nxi h ALA 56 N -0.11 0.19 0.22 5.00 0.00 -0.98 -2.26 119.26 121.32 1nxi h ALA 56 Ca 0.04 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1nxi h ALA 56 Cb 0.67 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 1nxi h ALA 56 CO -0.30 -0.46 -0.52 0.00 0.00 0.00 0.00 179.25 177.97 1nxi h ALA 57 N 1.24 -1.04 -0.71 0.00 0.00 -0.30 -0.76 119.26 117.69 1nxi h ALA 57 Ca 0.12 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.97 1nxi h ALA 57 Cb 0.18 0.86 -0.10 0.00 0.00 0.00 0.00 17.79 18.73 1nxi h ALA 57 CO -0.24 -1.14 -0.56 0.28 0.00 0.00 0.00 179.25 177.58 1nxi h VAL 58 N -0.82 0.01 -1.01 0.00 2.07 -0.41 0.88 116.25 116.97 1nxi h VAL 58 Ca -0.02 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.73 1nxi h VAL 58 Cb 0.79 0.01 -0.11 0.00 -1.52 0.00 0.00 31.29 30.45 1nxi h VAL 58 CO -0.23 0.00 0.62 -0.33 0.02 0.00 0.00 177.57 177.65 1nxi h GLU 59 N -0.19 0.57 -0.17 1.57 3.07 -0.99 0.51 114.58 118.96 1nxi h GLU 59 Ca 0.13 -0.03 -0.10 0.00 -0.50 0.00 0.00 59.36 58.85 1nxi h GLU 59 Cb 0.51 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 1nxi h GLU 59 CO -0.77 0.38 -0.35 0.00 -1.40 0.00 0.00 179.01 176.86 1nxi h ALA 60 N 1.68 1.09 0.09 3.43 0.00 0.21 0.12 119.26 125.87 1nxi h ALA 60 Ca 0.61 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1nxi h ALA 60 Cb 1.19 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1nxi h ALA 60 CO -0.39 0.58 -0.04 0.35 0.00 0.00 0.00 179.25 179.74 1nxi h PHE 61 N 0.30 -0.11 -0.51 0.00 3.57 0.30 0.44 116.94 120.94 1nxi h PHE 61 Ca 0.04 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.46 1nxi h PHE 61 Cb 0.77 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.53 1nxi h PHE 61 CO 0.02 0.34 0.02 -0.22 -2.23 0.00 0.00 178.31 176.23 1nxi h LYS 62 N -0.62 0.89 0.07 1.11 3.64 -1.15 -3.25 116.57 117.27 1nxi h LYS 62 Ca -0.01 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 1nxi h LYS 62 Cb 0.50 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 1nxi h LYS 62 CO 0.02 0.91 -0.22 1.98 -2.27 0.00 0.00 179.45 179.86 1nxi h MET 63 N 0.75 -0.32 0.00 1.90 4.05 -0.79 -3.45 114.93 117.07 1nxi h MET 63 Ca 0.15 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.59 1nxi h MET 63 Cb 0.50 0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.37 1nxi h MET 63 CO 0.02 -0.22 0.00 0.41 0.23 0.00 0.00 176.91 177.36 1nxi n GLY 64 N -1.21 0.00 3.39 1.39 0.00 -1.02 -5.09 105.19 102.64 1nxi n GLY 64 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 1nxi n GLY 64 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nxi s PHE 65 N 0.00 2.67 -1.31 1.61 0.08 0.15 -4.76 117.98 116.42 1nxi s PHE 65 Ca 0.00 -0.47 -0.14 0.00 0.12 0.00 0.00 56.93 56.43 1nxi s PHE 65 Cb 0.00 -1.69 0.11 0.00 -0.57 0.00 0.00 43.02 40.86 1nxi s PHE 65 CO 0.00 -0.06 1.80 0.39 -0.10 0.00 0.00 175.22 177.25 1nxi n GLU 66 N 2.89 3.25 -1.35 0.44 1.02 0.14 -3.72 120.64 123.31 1nxi n GLU 66 Ca -0.18 -3.32 -0.39 0.00 -0.02 0.00 0.00 57.16 53.25 1nxi n GLU 66 Cb 0.52 -3.22 0.02 0.00 -0.02 0.00 0.00 31.44 28.74 1nxi n GLU 66 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1nxi n VAL 67 N 5.05 1.06 -4.84 2.62 3.14 -1.26 -2.21 118.33 121.88 1nxi n VAL 67 Ca 0.45 -0.50 -0.26 0.00 -2.96 0.00 0.00 64.34 61.07 1nxi n VAL 67 Cb 0.42 -0.30 -0.16 0.00 -1.06 0.00 0.00 33.84 32.74 1nxi n VAL 67 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 1nxi s LEU 68 N 3.09 1.96 0.92 6.55 2.96 0.67 -4.83 118.68 130.00 1nxi s LEU 68 Ca 0.62 -0.34 -0.17 0.00 -0.22 0.00 0.00 54.13 54.02 1nxi s LEU 68 Cb -0.51 -0.95 -0.14 0.00 0.50 0.00 0.00 46.19 45.09 1nxi s LEU 68 CO 0.61 0.18 -0.62 -1.84 -1.32 0.00 0.00 176.35 173.35 1nxi n GLU 69 N 2.95 -0.01 -3.92 1.98 0.28 -1.26 -1.76 120.64 118.90 1nxi n GLU 69 Ca -0.17 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 56.59 1nxi n GLU 69 Cb 0.53 -1.06 -0.04 0.00 1.43 0.00 0.00 31.44 32.30 1nxi n GLU 69 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1nxi s ALA 70 N -2.02 4.03 0.06 -1.84 0.00 -1.26 -3.91 121.76 116.82 1nxi s ALA 70 Ca 0.44 -1.69 0.02 0.00 0.00 0.00 0.00 51.96 50.73 1nxi s ALA 70 Cb -0.23 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.20 1nxi s ALA 70 CO 0.79 -0.27 -0.07 -1.83 0.00 0.00 0.00 175.76 174.38 1nxi s GLU 71 N -4.09 0.64 0.03 0.00 -1.05 -1.18 -4.86 118.70 108.19 1nxi s GLU 71 Ca 0.39 -1.00 -0.30 0.00 -0.15 0.00 0.00 54.97 53.91 1nxi s GLU 71 Cb -0.00 -0.20 -0.06 0.00 -0.44 0.00 0.00 34.13 33.43 1nxi s GLU 71 CO 0.23 0.01 1.32 -1.21 0.95 0.00 0.00 175.26 176.56 1nxi s GLU 72 N -2.58 4.34 0.15 -4.83 0.41 -1.26 -3.08 118.70 111.84 1nxi s GLU 72 Ca -0.01 1.90 0.00 0.00 -0.41 0.00 0.00 54.97 56.45 1nxi s GLU 72 Cb -0.03 -3.44 -0.00 0.00 -1.78 0.00 0.00 34.13 28.88 1nxi s GLU 72 CO -0.02 -0.45 0.00 -2.37 -0.49 0.00 0.00 175.26 171.93 1nxi n THR 73 N 4.31 0.00 -3.64 3.63 5.66 -0.36 -4.92 114.28 118.96 1nxi n THR 73 Ca 0.11 -0.70 -0.08 0.00 -3.05 0.00 0.00 64.05 60.33 1nxi n THR 73 Cb 0.44 0.15 -0.07 0.00 -1.55 0.00 0.00 70.33 69.30 1nxi n THR 73 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 1nxi s GLU 74 N -2.53 0.43 0.02 1.09 -1.05 -1.25 -2.74 118.70 112.67 1nxi s GLU 74 Ca 0.00 0.52 -0.01 0.00 -0.15 0.00 0.00 54.97 55.33 1nxi s GLU 74 Cb 0.00 0.21 -0.00 0.00 -0.44 0.00 0.00 34.13 33.90 1nxi s GLU 74 CO 0.00 -0.05 -0.02 -0.25 0.95 0.00 0.00 175.26 175.89 1nxi n ASP 75 N 2.15 0.47 -0.08 0.83 8.00 -1.26 -4.80 116.55 121.86 1nxi n ASP 75 Ca -0.12 0.06 -0.07 0.00 0.71 0.00 0.00 54.79 55.38 1nxi n ASP 75 Cb 0.56 -0.20 -0.01 0.00 -0.02 0.00 0.00 41.12 41.45 1nxi n ASP 75 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1nxi h GLU 76 N -0.06 0.01 0.00 -1.24 5.08 -1.99 -3.45 114.58 112.93 1nxi h GLU 76 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1nxi h GLU 76 Cb 0.06 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1nxi h GLU 76 CO 0.00 0.01 0.00 -0.25 -1.00 0.00 0.00 179.01 177.77 1nxi n ASP 77 N -5.24 0.00 -0.39 1.42 8.00 -1.26 -4.97 116.55 114.11 1nxi n ASP 77 Ca -0.00 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.50 1nxi n ASP 77 Cb 0.17 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.27 1nxi n ASP 77 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nxi n GLY 78 N 0.00 0.65 3.56 0.44 0.00 -1.26 -5.05 105.19 103.53 1nxi n GLY 78 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1nxi n GLY 78 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nxi s ASN 79 N -0.05 5.06 -0.61 1.61 -0.87 -1.26 -4.87 114.94 113.95 1nxi s ASN 79 Ca 0.00 -0.85 -0.26 0.00 -1.57 0.00 0.00 52.86 50.18 1nxi s ASN 79 Cb 0.00 -2.57 -0.10 0.00 -0.02 0.00 0.00 41.25 38.57 1nxi s ASN 79 CO 0.00 -2.87 2.42 0.29 -2.57 0.00 0.00 177.10 174.37 1nxi n LYS 80 N 8.74 0.85 -4.29 -0.60 4.76 -1.26 -3.82 118.16 122.54 1nxi n LYS 80 Ca 0.41 -0.32 -0.24 0.00 -2.87 0.00 0.00 58.31 55.30 1nxi n LYS 80 Cb 0.47 -3.51 -0.08 0.00 -1.84 0.00 0.00 35.03 30.07 1nxi n LYS 80 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1nxi s LEU 81 N 13.12 3.06 -0.07 -0.35 1.43 -1.11 -4.91 118.68 129.86 1nxi s LEU 81 Ca 0.97 -0.87 0.04 0.00 -1.03 0.00 0.00 54.13 53.24 1nxi s LEU 81 Cb -0.17 -1.50 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 1nxi s LEU 81 CO 0.20 -0.18 -0.17 -0.76 0.23 0.00 0.00 176.35 175.68 1nxi s LEU 82 N -3.72 2.57 -0.25 1.79 1.02 -1.21 -1.23 118.68 117.65 1nxi s LEU 82 Ca 0.34 -0.29 -0.02 0.00 0.02 0.00 0.00 54.13 54.18 1nxi s LEU 82 Cb -0.02 -1.52 0.08 0.00 0.02 0.00 0.00 46.19 44.74 1nxi s LEU 82 CO 0.20 0.29 0.06 0.00 0.02 0.00 0.00 176.35 176.92 1nxi s PHE 84 N 1.70 3.49 0.44 0.00 -0.71 -0.39 -3.07 117.98 119.43 1nxi s PHE 84 Ca 0.04 0.29 0.07 0.00 -1.04 0.00 0.00 56.93 56.28 1nxi s PHE 84 Cb -0.17 -1.83 -0.03 0.00 -1.21 0.00 0.00 43.02 39.78 1nxi s PHE 84 CO -0.17 0.24 0.25 0.34 -1.34 0.00 0.00 175.22 174.54 1nxi s ASP 85 N -3.82 4.58 -0.17 1.98 -1.08 -0.72 -1.98 116.67 115.46 1nxi s ASP 85 Ca 0.39 -1.05 -0.06 0.00 -0.52 0.00 0.00 52.55 51.30 1nxi s ASP 85 Cb -0.10 -0.32 0.08 0.00 -1.46 0.00 0.00 42.92 41.12 1nxi s ASP 85 CO 0.33 -0.67 0.36 0.00 0.52 0.00 0.00 175.17 175.71 1nxi s ALA 86 N -2.61 -0.93 0.03 3.66 0.00 0.11 0.24 121.76 122.26 1nxi s ALA 86 Ca 0.40 1.28 -0.01 0.00 0.00 0.00 0.00 51.96 53.64 1nxi s ALA 86 Cb 0.01 -1.22 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 1nxi s ALA 86 CO 0.23 -0.72 0.17 0.95 0.00 0.00 0.00 175.76 176.39 1nxi s THR 87 N 2.54 5.26 0.03 0.00 -4.23 -0.94 -0.57 115.64 117.73 1nxi s THR 87 Ca -0.00 -0.33 -0.11 0.00 -1.18 0.00 0.00 61.69 60.06 1nxi s THR 87 Cb -0.12 -3.50 0.01 0.00 1.34 0.00 0.00 72.50 70.23 1nxi s THR 87 CO -0.11 0.24 0.23 -0.32 -0.54 0.00 0.00 174.62 174.11 1nxi s MET 88 N -2.18 0.69 -0.15 3.99 0.00 -0.62 0.25 119.30 121.28 1nxi s MET 88 Ca 0.30 -0.53 -0.04 0.00 0.00 0.00 0.00 55.69 55.42 1nxi s MET 88 Cb -0.13 0.29 -0.03 0.00 0.00 0.00 0.00 34.83 34.96 1nxi s MET 88 CO 0.22 -0.20 0.00 -0.65 0.00 0.00 0.00 175.02 174.39 1nxi s GLN 89 N -2.28 3.62 -0.15 4.11 -1.52 -1.26 -0.36 119.66 121.82 1nxi s GLN 89 Ca -0.07 -0.44 -0.30 0.00 -1.95 0.00 0.00 55.36 52.60 1nxi s GLN 89 Cb -0.02 -2.98 0.11 0.00 -0.22 0.00 0.00 33.01 29.90 1nxi s GLN 89 CO -0.02 0.35 0.93 -1.54 -0.25 0.00 0.00 175.29 174.76 1nxi s SER 90 N 0.10 -0.44 0.75 5.90 1.04 -0.08 -4.96 113.70 116.00 1nxi s SER 90 Ca 0.02 0.54 -0.15 0.00 0.48 0.00 0.00 55.95 56.84 1nxi s SER 90 Cb -0.13 0.44 0.05 0.00 0.10 0.00 0.00 66.02 66.48 1nxi s SER 90 CO 0.02 -0.37 1.24 0.00 0.98 0.00 0.00 173.24 175.11 1nxi n ALA 91 N 0.98 0.43 -2.47 5.32 0.00 -1.26 -1.10 120.51 122.40 1nxi n ALA 91 Ca -0.12 -0.21 -0.39 0.00 0.00 0.00 0.00 53.44 52.72 1nxi n ALA 91 Cb 0.57 -2.28 -0.03 0.00 0.00 0.00 0.00 19.45 17.71 1nxi n ALA 91 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1nxi s LEU 92 N -5.22 3.46 -0.10 0.00 2.96 -1.26 -4.76 118.68 113.77 1nxi s LEU 92 Ca 0.77 -1.40 -0.03 0.00 -0.22 0.00 0.00 54.13 53.25 1nxi s LEU 92 Cb -0.32 -2.57 0.05 0.00 0.50 0.00 0.00 46.19 43.85 1nxi s LEU 92 CO 0.47 -1.71 0.15 -1.81 -1.32 0.00 0.00 176.35 172.13 1nxi s ASP 93 N 5.45 0.91 0.20 3.68 1.11 -1.26 -4.97 116.67 121.80 1nxi s ASP 93 Ca 0.51 0.22 -0.15 0.00 0.18 0.00 0.00 52.55 53.31 1nxi s ASP 93 Cb -0.01 0.23 0.19 0.00 1.07 0.00 0.00 42.92 44.40 1nxi s ASP 93 CO -0.07 -0.26 1.63 0.00 1.18 0.00 0.00 175.17 177.66 1nxi h ALA 94 N 8.37 0.35 -0.80 5.23 0.00 -1.95 0.21 119.26 130.67 1nxi h ALA 94 Ca -0.13 0.22 0.18 0.00 0.00 0.00 0.00 54.91 55.17 1nxi h ALA 94 Cb 1.12 0.45 -0.11 0.00 0.00 0.00 0.00 17.79 19.25 1nxi h ALA 94 CO 0.16 -0.45 0.26 0.87 0.00 0.00 0.00 179.25 180.10 1nxi h LYS 95 N -0.01 0.33 -0.25 0.00 1.57 -1.98 0.58 116.57 116.81 1nxi h LYS 95 Ca 0.27 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.97 1nxi h LYS 95 Cb 0.43 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1nxi h LYS 95 CO -0.59 0.22 -0.10 -0.07 -0.57 0.00 0.00 179.45 178.33 1nxi h LEU 96 N 0.33 0.52 -2.03 2.94 3.38 -1.05 -2.62 115.31 116.78 1nxi h LEU 96 Ca 0.47 -0.40 0.06 0.00 0.09 0.00 0.00 57.88 58.10 1nxi h LEU 96 Cb 0.82 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1nxi h LEU 96 CO -0.51 0.80 0.16 0.40 0.09 0.00 0.00 178.44 179.38 1nxi h ILE 97 N 0.23 0.85 -0.05 1.22 2.04 0.85 -0.70 117.51 121.95 1nxi h ILE 97 Ca 0.06 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.86 1nxi h ILE 97 Cb 0.60 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 1nxi h ILE 97 CO 0.03 0.00 -0.19 -0.78 0.00 0.00 0.00 178.15 177.21 1nxi h ASP 98 N 0.00 0.26 -0.39 1.72 3.58 -0.67 -1.40 116.42 119.52 1nxi h ASP 98 Ca 0.10 -0.63 -0.01 0.00 0.42 0.00 0.00 57.03 56.91 1nxi h ASP 98 Cb 0.43 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.38 1nxi h ASP 98 CO -0.00 0.85 0.19 -0.33 -2.88 0.00 0.00 179.24 177.06 1nxi h GLU 99 N -0.30 0.57 0.80 0.28 5.08 -1.00 0.44 114.58 120.44 1nxi h GLU 99 Ca -0.01 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1nxi h GLU 99 Cb 0.83 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.98 1nxi h GLU 99 CO 0.04 0.50 -0.39 1.96 -1.00 0.00 0.00 179.01 180.13 1nxi h GLN 100 N 0.50 -1.04 -1.00 2.33 7.50 -1.20 -2.47 115.11 119.73 1nxi h GLN 100 Ca 0.14 0.07 0.19 0.00 0.50 0.00 0.00 58.65 59.55 1nxi h GLN 100 Cb 0.12 0.24 -0.10 0.00 0.05 0.00 0.00 27.48 27.78 1nxi h GLN 100 CO -0.02 -0.68 0.61 0.28 -1.50 0.00 0.00 178.83 177.53 1nxi h VAL 101 N -1.18 0.70 -0.70 -0.54 2.07 -1.21 0.15 116.25 115.53 1nxi h VAL 101 Ca -0.11 -0.24 0.10 0.00 0.82 0.00 0.00 66.70 67.27 1nxi h VAL 101 Cb 0.84 -0.08 -0.07 0.00 -1.52 0.00 0.00 31.29 30.45 1nxi h VAL 101 CO 0.18 0.13 0.33 -0.08 0.02 0.00 0.00 177.57 178.15 1nxi h GLU 102 N 0.71 0.54 -0.43 1.57 4.81 -0.53 0.12 114.58 121.37 1nxi h GLU 102 Ca 0.57 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.72 1nxi h GLU 102 Cb 0.95 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 1nxi h GLU 102 CO -0.36 0.35 0.10 0.87 -0.73 0.00 0.00 179.01 179.25 1nxi h LYS 103 N 0.55 0.69 0.00 1.92 1.57 -0.27 -1.33 116.57 119.71 1nxi h LYS 103 Ca 0.35 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 1nxi h LYS 103 Cb 0.41 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 1nxi h LYS 103 CO -0.29 0.71 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.11 1nxi h LEU 104 N 0.56 0.00 -0.01 2.94 3.38 -0.65 -1.08 115.31 120.46 1nxi h LEU 104 Ca 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1nxi h LEU 104 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1nxi h LEU 104 CO 0.00 0.11 -0.09 0.58 0.09 0.00 0.00 178.44 179.14 1nxi h VAL 105 N 0.00 1.55 0.23 1.22 2.07 -0.15 -1.02 116.25 120.16 1nxi h VAL 105 Ca -0.00 -1.75 -0.01 0.00 0.82 0.00 0.00 66.70 65.76 1nxi h VAL 105 Cb 0.23 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 1nxi h VAL 105 CO 0.01 0.47 -0.11 0.78 0.02 0.00 0.00 177.57 178.74 1nxi h ASN 106 N -0.62 -0.26 0.79 0.57 2.35 -0.97 -2.38 115.58 115.06 1nxi h ASN 106 Ca -0.01 -0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.67 1nxi h ASN 106 Cb 0.81 0.07 0.01 0.00 0.05 0.00 0.00 38.32 39.25 1nxi h ASN 106 CO 0.02 -0.13 -0.38 0.25 -1.65 0.00 0.00 177.43 175.53 1nxi h LEU 107 N -0.37 -0.90 -0.94 1.61 6.46 -1.31 0.62 115.31 120.48 1nxi h LEU 107 Ca -0.03 0.02 0.14 0.00 -0.12 0.00 0.00 57.88 57.89 1nxi h LEU 107 Cb 0.28 0.23 -0.15 0.00 -0.73 0.00 0.00 40.66 40.30 1nxi h LEU 107 CO 0.05 -0.62 -0.39 0.00 -0.62 0.00 0.00 178.44 176.86 1nxi n ALA 108 N -2.57 -0.17 0.07 1.25 0.00 -0.39 0.22 120.51 118.92 1nxi n ALA 108 Ca -0.15 0.92 -0.00 0.00 0.00 0.00 0.00 53.44 54.21 1nxi n ALA 108 Cb 0.43 -0.38 0.30 0.00 0.00 0.00 0.00 19.45 19.79 1nxi n ALA 108 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1nxi h GLU 109 N 0.00 0.33 -0.99 0.00 4.39 -1.25 -2.11 114.58 114.95 1nxi h GLU 109 Ca 0.31 -0.10 0.23 0.00 0.34 0.00 0.00 59.36 60.14 1nxi h GLU 109 Cb 0.54 -0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 29.07 1nxi h GLU 109 CO -0.92 0.52 0.64 -0.22 -1.16 0.00 0.00 179.01 177.86 1nxi h LYS 110 N 0.30 0.46 0.00 2.33 1.63 0.50 -3.32 116.57 118.48 1nxi h LYS 110 Ca 0.05 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1nxi h LYS 110 Cb 0.53 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.05 1nxi h LYS 110 CO 0.03 0.31 0.00 1.19 -3.45 0.00 0.00 179.45 177.53 1nxi n PHE 111 N -4.62 0.00 0.00 1.91 3.72 -0.91 -5.04 117.46 112.51 1nxi n PHE 111 Ca 0.23 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.63 1nxi n PHE 111 Cb 0.76 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.28 1nxi n PHE 111 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1nxi n ASP 112 N -1.69 0.00 -4.53 4.37 9.92 -0.83 -5.11 116.55 118.67 1nxi n ASP 112 Ca 0.00 0.00 -0.34 0.00 -0.53 0.00 0.00 54.79 53.92 1nxi n ASP 112 Cb 0.00 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.36 1nxi n ASP 112 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 1nxi s ILE 113 N 0.00 3.58 -0.12 0.53 -4.36 -0.97 -4.87 121.20 115.00 1nxi s ILE 113 Ca 0.00 -0.51 -0.25 0.00 -0.26 0.00 0.00 60.65 59.63 1nxi s ILE 113 Cb 0.00 -2.48 -0.02 0.00 1.25 0.00 0.00 42.46 41.21 1nxi s ILE 113 CO 0.00 0.57 0.82 -0.51 0.24 0.00 0.00 174.94 176.06 1nxi s ILE 114 N -0.47 4.92 -0.40 8.37 1.10 -1.26 -4.13 121.20 129.34 1nxi s ILE 114 Ca 0.07 1.64 -0.18 0.00 -0.51 0.00 0.00 60.65 61.66 1nxi s ILE 114 Cb -0.12 -4.13 0.01 0.00 0.15 0.00 0.00 42.46 38.37 1nxi s ILE 114 CO 0.02 0.10 0.49 -0.47 -2.11 0.00 0.00 174.94 172.97 1nxi s TYR 115 N 1.68 3.15 -0.46 3.50 5.04 -1.26 -4.34 117.35 124.66 1nxi s TYR 115 Ca 0.40 -0.14 0.07 0.00 -2.44 0.00 0.00 57.07 54.95 1nxi s TYR 115 Cb -0.17 -2.97 0.18 0.00 0.35 0.00 0.00 41.96 39.34 1nxi s TYR 115 CO 0.16 -0.67 0.62 0.34 -1.34 0.00 0.00 175.55 174.65 1nxi s ASP 116 N 1.83 -0.86 0.00 4.32 -1.08 -1.26 -5.06 116.67 114.56 1nxi s ASP 116 Ca 0.16 -1.58 0.00 0.00 -0.52 0.00 0.00 52.55 50.61 1nxi s ASP 116 Cb -0.16 1.51 0.00 0.00 -1.46 0.00 0.00 42.92 42.81 1nxi s ASP 116 CO 0.14 -0.12 0.00 0.61 0.52 0.00 0.00 175.17 176.32 1nxi n GLY 117 N 3.52 -0.48 2.76 2.66 0.00 -1.26 -4.92 105.19 107.46 1nxi n GLY 117 Ca 0.16 0.65 -0.26 0.00 0.00 0.00 0.00 46.02 46.57 1nxi n GLY 117 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1nxi s TRP 118 N 0.00 0.99 0.19 1.61 1.48 -1.26 -0.32 118.94 121.63 1nxi s TRP 118 Ca 0.00 -0.70 0.06 0.00 -1.06 0.00 0.00 56.10 54.40 1nxi s TRP 118 Cb 0.00 -0.99 -0.05 0.00 -1.16 0.00 0.00 33.47 31.27 1nxi s TRP 118 CO 0.00 -0.54 -0.10 0.20 -4.06 0.00 0.00 176.95 172.45 1nxi s GLY 119 N 1.87 1.35 0.34 3.67 0.00 -0.55 -4.97 107.32 109.02 1nxi s GLY 119 Ca 0.01 -1.63 0.09 0.00 0.00 0.00 0.00 44.72 43.18 1nxi s GLY 119 CO -0.07 -1.69 0.06 -1.08 0.00 0.00 0.00 173.10 170.32 1nxi s THR 120 N -3.17 2.83 -0.04 0.90 -1.32 -1.26 -0.81 115.64 112.77 1nxi s THR 120 Ca 0.22 -1.86 -0.01 0.00 -1.21 0.00 0.00 61.69 58.83 1nxi s THR 120 Cb 0.02 -2.87 0.03 0.00 -1.51 0.00 0.00 72.50 68.17 1nxi s THR 120 CO 0.05 -0.20 0.02 -0.47 -2.21 0.00 0.00 174.62 171.81 1nxi s TYR 121 N -2.47 0.33 0.35 9.09 5.04 -1.24 -4.96 117.35 123.49 1nxi s TYR 121 Ca 0.36 0.03 -0.18 0.00 -2.44 0.00 0.00 57.07 54.83 1nxi s TYR 121 Cb -0.01 -0.52 -0.14 0.00 0.35 0.00 0.00 41.96 41.64 1nxi s TYR 121 CO 0.21 -0.19 0.08 0.66 -1.34 0.00 0.00 175.55 174.96 1nxi n TYR 122 N 4.70 -1.80 -1.84 4.97 4.01 -1.26 -4.56 117.16 121.38 1nxi n TYR 122 Ca -0.16 0.54 -0.41 0.00 -0.16 0.00 0.00 57.90 57.72 1nxi n TYR 122 Cb 0.50 -1.54 -0.01 0.00 -0.31 0.00 0.00 39.34 37.98 1nxi n TYR 122 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1nxi n GLU 123 N 1.15 3.94 0.00 -0.72 4.71 -1.26 -4.81 120.64 123.65 1nxi n GLU 123 Ca 0.10 -3.02 0.00 0.00 -0.01 0.00 0.00 57.16 54.23 1nxi n GLU 123 Cb 0.34 -2.82 0.00 0.00 -1.01 0.00 0.00 31.44 27.95 1nxi n GLU 123 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1nxi n GLY 124 N 2.75 4.62 2.65 0.62 0.00 -1.26 -5.09 105.19 109.47 1nxi n GLY 124 Ca 0.61 -1.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.28 1nxi n GLY 124 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nxi s LEU 125 N 0.00 0.33 0.00 0.99 2.96 -1.26 -5.13 118.68 116.57 1nxi s LEU 125 Ca 0.00 -1.86 0.03 0.00 -0.22 0.00 0.00 54.13 52.09 1nxi s LEU 125 Cb 0.00 0.21 -0.01 0.00 0.50 0.00 0.00 46.19 46.89 1nxi s LEU 125 CO 0.00 -0.27 0.12 -1.84 -1.32 0.00 0.00 176.35 173.04 1nxi n GLU 126 N 4.09 0.61 -2.12 1.98 0.28 -1.26 -5.06 120.64 119.16 1nxi n GLU 126 Ca 0.12 -3.55 -0.25 0.00 -0.16 0.00 0.00 57.16 53.32 1nxi n GLU 126 Cb 0.42 1.75 0.02 0.00 1.43 0.00 0.00 31.44 35.06 1nxi n GLU 126 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 1nxi n HIS 127 N -1.00 2.95 -3.80 -1.84 -0.00 -1.26 -5.00 115.22 105.26 1nxi n HIS 127 Ca -0.09 -2.49 -0.13 0.00 -0.00 0.00 0.00 57.72 55.02 1nxi n HIS 127 Cb 0.63 -0.32 -0.12 0.00 -0.00 0.00 0.00 29.99 30.17 1nxi n HIS 127 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1nxi s HIS 128 N -3.60 -0.19 -0.46 1.57 5.04 -1.26 -5.09 115.29 111.30 1nxi s HIS 128 Ca 0.51 0.48 0.08 0.00 -1.54 0.00 0.00 55.06 54.58 1nxi s HIS 128 Cb 0.41 0.06 0.26 0.00 0.04 0.00 0.00 32.58 33.34 1nxi s HIS 128 CO -0.03 -0.10 0.60 -2.39 -2.34 0.00 0.00 174.74 170.48 1nxi n HIS 129 N 3.11 0.86 -1.88 3.88 1.44 -1.26 -4.97 115.22 116.40 1nxi n HIS 129 Ca -0.14 -3.75 -0.37 0.00 -2.01 0.00 0.00 57.72 51.45 1nxi n HIS 129 Cb 0.58 -0.41 -0.02 0.00 0.12 0.00 0.00 29.99 30.26 1nxi n HIS 129 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 1nxi n HIS 130 N 1.16 2.38 -2.70 -1.40 -0.00 -1.26 -4.33 115.22 109.08 1nxi n HIS 130 Ca 0.24 -2.65 -0.06 0.00 -0.00 0.00 0.00 57.72 55.25 1nxi n HIS 130 Cb 0.50 -1.76 0.10 0.00 -0.00 0.00 0.00 29.99 28.83 1nxi n HIS 130 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1nxi n HIS 131 N 1.61 -1.54 0.00 1.57 -0.00 -1.26 -5.35 115.22 110.25 1nxi n HIS 131 Ca 0.60 -2.04 0.00 0.00 -0.00 0.00 0.00 57.72 56.28 1nxi n HIS 131 Cb 0.31 1.15 0.00 0.00 -0.00 0.00 0.00 29.99 31.44 1nxi n HIS 131 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92