#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nxi s SER 2 N 0.00 5.06 0.56 7.83 0.01 -1.26 -4.92 113.70 120.98 1nxi s SER 2 Ca 0.00 -2.84 0.28 0.00 1.31 0.00 0.00 55.95 54.70 1nxi s SER 2 Cb 0.00 -1.81 1.47 0.00 0.21 0.00 0.00 66.02 65.89 1nxi s SER 2 CO 0.00 -0.35 1.95 1.12 0.41 0.00 0.00 173.24 176.37 1nxi h HIS 3 N 6.98 0.00 -1.16 2.43 -0.00 -2.14 -3.47 115.15 117.80 1nxi h HIS 3 Ca -0.03 0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.41 1nxi h HIS 3 Cb 0.95 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 28.32 1nxi h HIS 3 CO 0.66 0.00 -0.38 0.94 -0.00 0.00 0.00 177.93 179.15 1nxi n GLN 4 N -4.04 -1.17 0.00 5.12 7.27 -1.26 -5.00 117.38 118.30 1nxi n GLN 4 Ca 0.10 0.94 0.00 0.00 0.07 0.00 0.00 57.00 58.11 1nxi n GLN 4 Cb 0.66 -1.27 0.00 0.00 2.41 0.00 0.00 30.24 32.04 1nxi n GLN 4 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1nxi n ASP 5 N -2.43 0.00 -3.22 1.69 8.00 -1.26 -5.12 116.55 114.21 1nxi n ASP 5 Ca -0.02 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.52 1nxi n ASP 5 Cb 0.20 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.27 1nxi n ASP 5 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1nxi s ASP 6 N -1.00 -0.32 -0.05 -2.24 2.15 -1.26 -5.07 116.67 108.88 1nxi s ASP 6 Ca 0.00 0.32 -0.02 0.00 0.43 0.00 0.00 52.55 53.28 1nxi s ASP 6 Cb 0.00 1.32 0.01 0.00 -0.30 0.00 0.00 42.92 43.95 1nxi s ASP 6 CO 0.00 -0.06 0.05 0.00 -0.17 0.00 0.00 175.17 174.99 1nxi n TYR 7 N 5.08 -0.99 0.00 -5.34 4.19 -1.26 -5.01 117.16 113.84 1nxi n TYR 7 Ca -0.08 0.55 0.00 0.00 3.31 0.00 0.00 57.90 61.69 1nxi n TYR 7 Cb 0.54 -1.66 0.00 0.00 0.49 0.00 0.00 39.34 38.71 1nxi n TYR 7 CO 0.00 0.00 0.00 1.47 0.91 0.00 0.00 176.86 179.24 1nxi n LEU 8 N 2.15 0.00 0.00 2.98 -0.00 -1.26 -4.91 117.00 115.96 1nxi n LEU 8 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.93 1nxi n LEU 8 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.61 1nxi n LEU 8 CO 0.09 0.00 0.00 -1.20 -0.00 0.00 0.00 177.39 176.28 1nxi n SER 9 N -0.08 0.00 -0.10 1.45 7.64 -1.26 -4.16 113.62 117.10 1nxi n SER 9 Ca 0.00 0.00 0.27 0.00 1.01 0.00 0.00 58.87 60.15 1nxi n SER 9 Cb 0.00 0.00 0.67 0.00 -1.01 0.00 0.00 64.21 63.87 1nxi n SER 9 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1nxi h VAL 10 N 0.00 0.27 0.04 0.44 -1.51 -2.01 0.94 116.25 114.41 1nxi h VAL 10 Ca 0.00 0.00 -0.23 0.00 -1.23 0.00 0.00 66.70 65.24 1nxi h VAL 10 Cb 0.00 0.40 -0.01 0.00 -2.13 0.00 0.00 31.29 29.55 1nxi h VAL 10 CO 0.00 0.00 -1.01 -0.33 -1.23 0.00 0.00 177.57 175.00 1nxi h GLU 11 N 0.00 0.22 0.35 5.19 4.39 -1.98 -3.09 114.58 119.66 1nxi h GLU 11 Ca 0.38 -0.29 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 1nxi h GLU 11 Cb 1.92 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 30.67 1nxi h GLU 11 CO -0.00 1.06 -0.17 0.93 -1.16 0.00 0.00 179.01 179.67 1nxi h GLU 12 N 0.10 -0.45 -0.33 2.33 4.39 0.58 0.34 114.58 121.54 1nxi h GLU 12 Ca -0.07 0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.73 1nxi h GLU 12 Cb 1.69 0.10 -0.07 0.00 -0.10 0.00 0.00 28.75 30.37 1nxi h GLU 12 CO 0.16 -0.25 -0.11 -0.07 -1.16 0.00 0.00 179.01 177.58 1nxi h LEU 13 N -0.54 -0.38 -1.96 1.33 3.38 -1.59 0.18 115.31 115.73 1nxi h LEU 13 Ca -0.05 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1nxi h LEU 13 Cb 0.41 0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1nxi h LEU 13 CO 0.08 -0.14 0.05 0.40 0.09 0.00 0.00 178.44 178.93 1nxi h ILE 14 N -0.03 0.99 0.31 1.22 2.04 -1.43 -1.65 117.51 118.96 1nxi h ILE 14 Ca 0.16 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.99 1nxi h ILE 14 Cb 0.28 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1nxi h ILE 14 CO -0.36 0.01 -0.15 -0.08 0.00 0.00 0.00 178.15 177.57 1nxi h GLU 15 N 0.06 -0.40 -0.92 2.37 4.22 0.16 0.13 114.58 120.20 1nxi h GLU 15 Ca 0.03 0.03 0.16 0.00 0.08 0.00 0.00 59.36 59.66 1nxi h GLU 15 Cb 0.07 0.09 -0.10 0.00 0.50 0.00 0.00 28.75 29.31 1nxi h GLU 15 CO -0.00 -0.26 0.51 0.82 -2.18 0.00 0.00 179.01 177.89 1nxi h ILE 16 N -0.46 0.74 0.97 2.32 2.04 -1.32 -2.30 117.51 119.50 1nxi h ILE 16 Ca -0.04 -0.24 -0.05 0.00 1.00 0.00 0.00 64.86 65.53 1nxi h ILE 16 Cb 0.32 -0.03 0.01 0.00 -0.74 0.00 0.00 36.82 36.38 1nxi h ILE 16 CO 0.07 0.13 -0.47 -0.61 0.00 0.00 0.00 178.15 177.27 1nxi h GLN 17 N 0.70 -1.25 -0.97 2.37 5.75 -1.21 0.40 115.11 120.89 1nxi h GLN 17 Ca 0.51 0.09 0.19 0.00 -0.15 0.00 0.00 58.65 59.28 1nxi h GLN 17 Cb 0.72 0.28 -0.18 0.00 1.07 0.00 0.00 27.48 29.38 1nxi h GLN 17 CO -0.36 -0.84 -0.26 -0.22 -2.65 0.00 0.00 178.83 174.50 1nxi h LYS 18 N -1.31 -0.00 0.04 1.69 3.64 -0.19 0.36 116.57 120.79 1nxi h LYS 18 Ca -0.13 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1nxi h LYS 18 Cb 1.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1nxi h LYS 18 CO 0.22 -0.00 -0.02 0.93 -2.27 0.00 0.00 179.45 178.31 1nxi h GLU 19 N -0.00 -0.05 -0.04 1.90 4.39 -1.23 -2.50 114.58 117.05 1nxi h GLU 19 Ca 0.45 0.00 0.02 0.00 0.34 0.00 0.00 59.36 60.17 1nxi h GLU 19 Cb 0.70 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.32 1nxi h GLU 19 CO -1.00 0.12 -0.39 1.49 -1.16 0.00 0.00 179.01 178.07 1nxi h GLU 20 N -0.21 -0.45 -0.82 2.33 4.81 0.19 -1.37 114.58 119.06 1nxi h GLU 20 Ca -0.01 0.03 0.14 0.00 -0.13 0.00 0.00 59.36 59.39 1nxi h GLU 20 Cb 0.19 0.10 -0.14 0.00 0.63 0.00 0.00 28.75 29.53 1nxi h GLU 20 CO 0.01 -0.30 -0.35 1.15 -0.73 0.00 0.00 179.01 178.79 1nxi h THR 21 N -0.46 0.08 -0.91 0.32 2.02 -0.99 0.73 112.91 113.70 1nxi h THR 21 Ca 0.01 0.00 0.25 0.00 0.77 0.00 0.00 66.41 67.45 1nxi h THR 21 Cb 0.51 0.08 -0.16 0.00 -1.74 0.00 0.00 68.15 66.85 1nxi h THR 21 CO -0.28 0.00 0.17 -0.09 0.37 0.00 0.00 175.52 175.68 1nxi h ARG 22 N -0.07 0.11 -0.73 6.66 2.43 -0.80 1.08 114.38 123.07 1nxi h ARG 22 Ca 0.31 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.42 1nxi h ARG 22 Cb 0.58 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 1nxi h ARG 22 CO -0.86 0.07 0.27 -0.44 -1.51 0.00 0.00 179.97 177.51 1nxi h ASP 23 N 0.12 1.00 0.29 -3.80 3.32 0.10 -1.84 116.42 115.61 1nxi h ASP 23 Ca 0.57 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.45 1nxi h ASP 23 Cb 1.19 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.48 1nxi h ASP 23 CO -0.75 0.90 -0.14 0.40 -1.72 0.00 0.00 179.24 177.93 1nxi h ILE 24 N 1.06 0.00 -0.99 0.35 2.04 0.18 -2.65 117.51 117.49 1nxi h ILE 24 Ca 0.24 -0.28 0.32 0.00 1.00 0.00 0.00 64.86 66.13 1nxi h ILE 24 Cb 0.23 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.13 1nxi h ILE 24 CO -0.02 0.00 0.20 0.40 0.00 0.00 0.00 178.15 178.74 1nxi h ILE 25 N -0.68 0.03 0.53 -0.67 1.08 -0.72 0.27 117.51 117.36 1nxi h ILE 25 Ca -0.04 -0.01 -0.02 0.00 -0.39 0.00 0.00 64.86 64.41 1nxi h ILE 25 Cb 0.30 0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 34.04 1nxi h ILE 25 CO 0.07 0.00 -0.46 1.56 -0.69 0.00 0.00 178.15 178.63 1nxi h GLN 26 N 0.02 -0.95 -0.13 2.37 1.08 -1.32 -0.80 115.11 115.38 1nxi h GLN 26 Ca 0.68 0.06 0.02 0.00 -1.45 0.00 0.00 58.65 57.96 1nxi h GLN 26 Cb 1.55 0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 29.16 1nxi h GLN 26 CO -0.86 -0.63 -0.21 0.00 -0.95 0.00 0.00 178.83 176.18 1nxi h ALA 27 N -0.77 -0.50 -0.30 3.87 0.00 -0.10 -1.03 119.26 120.43 1nxi h ALA 27 Ca -0.06 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1nxi h ALA 27 Cb 0.84 0.84 -0.04 0.00 0.00 0.00 0.00 17.79 19.43 1nxi h ALA 27 CO -0.02 -0.59 -0.25 -0.07 0.00 0.00 0.00 179.25 178.32 1nxi h LEU 28 N -0.16 -0.87 -0.77 0.00 3.38 -1.34 0.24 115.31 115.78 1nxi h LEU 28 Ca 0.02 0.12 0.13 0.00 0.09 0.00 0.00 57.88 58.25 1nxi h LEU 28 Cb 0.22 0.37 -0.13 0.00 0.09 0.00 0.00 40.66 41.21 1nxi h LEU 28 CO -0.21 -0.14 -0.25 0.18 0.09 0.00 0.00 178.44 178.11 1nxi n LEU 29 N -3.92 -0.40 -0.11 1.67 7.99 -0.31 0.44 117.00 122.36 1nxi n LEU 29 Ca -0.00 1.34 0.01 0.00 -0.01 0.00 0.00 56.01 57.34 1nxi n LEU 29 Cb 0.13 -0.35 0.29 0.00 -0.11 0.00 0.00 43.42 43.39 1nxi n LEU 29 CO -0.03 -1.24 1.12 -0.08 -1.51 0.00 0.00 177.39 175.65 1nxi h GLU 30 N 0.00 0.76 -1.69 3.23 4.81 0.67 -3.22 114.58 119.14 1nxi h GLU 30 Ca 0.31 -0.08 -0.44 0.00 -0.13 0.00 0.00 59.36 59.02 1nxi h GLU 30 Cb 0.51 -0.15 -0.40 0.00 0.63 0.00 0.00 28.75 29.33 1nxi h GLU 30 CO -0.78 0.57 -1.20 -0.25 -0.73 0.00 0.00 179.01 176.63 1nxi n ASP 31 N -4.39 1.01 0.00 1.04 8.00 1.14 -4.84 116.55 118.51 1nxi n ASP 31 Ca 0.05 -2.92 0.00 0.00 0.71 0.00 0.00 54.79 52.63 1nxi n ASP 31 Cb 0.11 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.62 1nxi n ASP 31 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nxi n GLY 32 N 0.17 0.00 0.00 0.44 0.00 1.55 -4.67 105.19 102.68 1nxi n GLY 32 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1nxi n GLY 32 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1nxi n SER 33 N 0.00 0.00 -4.04 1.61 2.88 -1.19 -4.34 113.62 108.53 1nxi n SER 33 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 1nxi n SER 33 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1nxi n SER 33 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1nxi n ASP 34 N 0.00 -0.27 0.00 -3.46 2.03 -1.26 -4.78 116.55 108.82 1nxi n ASP 34 Ca 0.00 -1.09 0.06 0.00 0.52 0.00 0.00 54.79 54.28 1nxi n ASP 34 Cb 0.00 -2.65 0.28 0.00 -0.72 0.00 0.00 41.12 38.03 1nxi n ASP 34 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1nxi n PRO 35 N -4.46 0.08 -0.02 -0.67 -0.04 -1.26 -2.28 135.00 126.35 1nxi n PRO 35 Ca -0.30 0.24 0.10 0.00 -0.04 0.00 0.00 63.50 63.49 1nxi n PRO 35 Cb 0.68 -1.50 0.53 0.00 -0.04 0.00 0.00 33.50 33.18 1nxi n PRO 35 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1nxi n ASP 36 N -1.40 0.39 0.00 3.54 5.68 -1.26 -4.58 116.55 118.92 1nxi n ASP 36 Ca 0.04 -1.46 0.00 0.00 -0.50 0.00 0.00 54.79 52.87 1nxi n ASP 36 Cb 0.12 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.08 1nxi n ASP 36 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1nxi n ALA 37 N -0.54 0.00 -3.61 2.12 0.00 -0.97 -5.13 120.51 112.39 1nxi n ALA 37 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.49 1nxi n ALA 37 Cb 0.13 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.52 1nxi n ALA 37 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1nxi s LEU 38 N 0.00 -0.43 -0.09 0.00 0.20 -1.26 -4.97 118.68 112.13 1nxi s LEU 38 Ca 0.00 0.68 0.02 0.00 0.69 0.00 0.00 54.13 55.51 1nxi s LEU 38 Cb 0.00 1.91 0.02 0.00 -0.43 0.00 0.00 46.19 47.68 1nxi s LEU 38 CO 0.00 -0.25 -0.13 -0.31 -0.29 0.00 0.00 176.35 175.37 1nxi s TYR 39 N -0.38 1.73 -0.27 5.38 1.51 0.35 -4.84 117.35 120.82 1nxi s TYR 39 Ca 0.00 -0.76 -0.12 0.00 -1.01 0.00 0.00 57.07 55.18 1nxi s TYR 39 Cb -0.03 -1.27 -0.05 0.00 -0.11 0.00 0.00 41.96 40.50 1nxi s TYR 39 CO -0.02 -0.41 0.24 -1.83 -1.11 0.00 0.00 175.55 172.42 1nxi s GLU 40 N 0.96 3.98 0.13 -0.62 -1.05 -1.26 -1.05 118.70 119.79 1nxi s GLU 40 Ca -0.08 -0.21 -0.07 0.00 -0.15 0.00 0.00 54.97 54.46 1nxi s GLU 40 Cb -0.15 -3.64 -0.06 0.00 -0.44 0.00 0.00 34.13 29.84 1nxi s GLU 40 CO -0.00 -0.18 0.41 0.42 0.95 0.00 0.00 175.26 176.86 1nxi s ILE 41 N 1.76 5.11 -0.22 1.83 1.09 -0.78 -4.08 121.20 125.92 1nxi s ILE 41 Ca 0.09 0.24 0.01 0.00 -1.10 0.00 0.00 60.65 59.90 1nxi s ILE 41 Cb -0.16 -3.63 0.05 0.00 -1.06 0.00 0.00 42.46 37.66 1nxi s ILE 41 CO 0.10 0.11 -0.09 -0.70 -0.10 0.00 0.00 174.94 174.26 1nxi s GLU 42 N -2.41 1.94 0.27 2.79 2.12 -0.57 -2.15 118.70 120.68 1nxi s GLU 42 Ca 0.39 -0.95 0.02 0.00 0.36 0.00 0.00 54.97 54.79 1nxi s GLU 42 Cb -0.13 -2.53 -0.03 0.00 0.26 0.00 0.00 34.13 31.70 1nxi s GLU 42 CO 0.22 -0.49 0.43 -1.01 -0.54 0.00 0.00 175.26 173.87 1nxi s HIS 43 N 1.36 3.48 -0.25 5.30 3.76 0.18 -1.79 115.29 127.33 1nxi s HIS 43 Ca -0.04 0.21 -0.02 0.00 -0.15 0.00 0.00 55.06 55.06 1nxi s HIS 43 Cb -0.17 -1.76 0.08 0.00 1.11 0.00 0.00 32.58 31.83 1nxi s HIS 43 CO -0.07 0.31 0.05 -1.01 -0.85 0.00 0.00 174.74 173.18 1nxi s HIS 44 N -2.07 1.37 -0.06 1.40 0.09 0.44 -1.69 115.29 114.77 1nxi s HIS 44 Ca 0.37 -1.27 0.06 0.00 -0.00 0.00 0.00 55.06 54.22 1nxi s HIS 44 Cb -0.10 -1.32 -0.01 0.00 -0.00 0.00 0.00 32.58 31.15 1nxi s HIS 44 CO 0.32 -0.74 -0.25 -0.51 -0.00 0.00 0.00 174.74 173.56 1nxi s LEU 45 N 1.74 2.06 0.21 0.89 1.02 -0.95 -4.01 118.68 119.64 1nxi s LEU 45 Ca 0.03 -0.51 0.10 0.00 0.02 0.00 0.00 54.13 53.78 1nxi s LEU 45 Cb -0.17 -1.35 -0.04 0.00 0.02 0.00 0.00 46.19 44.64 1nxi s LEU 45 CO -0.16 0.23 -0.15 0.72 0.02 0.00 0.00 176.35 177.01 1nxi s PHE 46 N -0.11 2.47 0.41 0.29 -0.71 -1.25 -1.67 117.98 117.41 1nxi s PHE 46 Ca -0.05 -0.29 0.05 0.00 -1.04 0.00 0.00 56.93 55.60 1nxi s PHE 46 Cb -0.14 -1.18 -0.06 0.00 -1.21 0.00 0.00 43.02 40.43 1nxi s PHE 46 CO 0.04 0.55 0.03 0.00 -1.34 0.00 0.00 175.22 174.50 1nxi s ALA 47 N -1.86 3.14 -0.24 1.99 0.00 -0.88 -3.04 121.76 120.86 1nxi s ALA 47 Ca 0.25 -1.74 0.07 0.00 0.00 0.00 0.00 51.96 50.53 1nxi s ALA 47 Cb -0.08 0.32 -0.08 0.00 0.00 0.00 0.00 23.12 23.29 1nxi s ALA 47 CO 0.14 -0.17 0.25 0.39 0.00 0.00 0.00 175.76 176.37 1nxi n GLU 48 N -0.95 3.86 -3.87 0.00 1.02 -1.26 -3.69 120.64 115.74 1nxi n GLU 48 Ca -0.07 -0.01 -0.26 0.00 -0.02 0.00 0.00 57.16 56.79 1nxi n GLU 48 Cb 0.67 -0.88 -0.17 0.00 -0.02 0.00 0.00 31.44 31.03 1nxi n GLU 48 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1nxi s ASP 49 N -1.86 2.06 0.58 1.62 2.15 -1.26 -4.99 116.67 114.98 1nxi s ASP 49 Ca 0.01 -0.26 0.30 0.00 0.43 0.00 0.00 52.55 53.03 1nxi s ASP 49 Cb 0.05 -0.75 1.40 0.00 -0.30 0.00 0.00 42.92 43.31 1nxi s ASP 49 CO 0.27 -0.14 1.77 2.19 -0.17 0.00 0.00 175.17 179.09 1nxi h PHE 50 N 8.21 0.00 0.00 -5.34 -0.00 -1.98 0.63 116.94 118.46 1nxi h PHE 50 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.70 1nxi h PHE 50 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.08 1nxi h PHE 50 CO 0.47 0.00 0.00 -0.25 -0.00 0.00 0.00 178.31 178.53 1nxi n ASP 51 N -3.72 0.00 0.08 -0.68 8.00 -1.26 -2.40 116.55 116.57 1nxi n ASP 51 Ca 0.15 0.74 0.20 0.00 0.71 0.00 0.00 54.79 56.59 1nxi n ASP 51 Cb 0.94 -0.43 0.75 0.00 -0.02 0.00 0.00 41.12 42.35 1nxi n ASP 51 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1nxi h LYS 52 N 0.00 0.00 0.02 -1.24 1.63 -1.87 -0.80 116.57 114.32 1nxi h LYS 52 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1nxi h LYS 52 Cb 0.00 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1nxi h LYS 52 CO 0.00 0.00 -0.03 1.25 -3.45 0.00 0.00 179.45 177.22 1nxi h LEU 53 N 0.00 -0.08 -1.27 5.20 6.46 -0.84 -0.30 115.31 124.48 1nxi h LEU 53 Ca 0.20 0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.90 1nxi h LEU 53 Cb 1.00 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.95 1nxi h LEU 53 CO -0.00 -0.05 -0.21 -0.08 -0.62 0.00 0.00 178.44 177.49 1nxi h GLU 54 N -0.06 0.24 0.45 1.25 4.57 -0.78 -0.47 114.58 119.77 1nxi h GLU 54 Ca 0.01 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 1nxi h GLU 54 Cb 0.07 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 1nxi h GLU 54 CO -0.02 0.44 -0.22 0.87 -1.18 0.00 0.00 179.01 178.91 1nxi h LYS 55 N 0.22 -0.58 -0.59 1.92 6.56 -1.06 0.14 116.57 123.18 1nxi h LYS 55 Ca 0.04 0.04 0.05 0.00 -1.06 0.00 0.00 60.65 59.72 1nxi h LYS 55 Cb 0.49 0.13 -0.03 0.00 -0.57 0.00 0.00 32.23 32.25 1nxi h LYS 55 CO 0.03 -0.39 0.39 0.00 -2.06 0.00 0.00 179.45 177.42 1nxi h ALA 56 N -1.48 1.77 -0.35 3.86 0.00 -1.09 -0.57 119.26 121.40 1nxi h ALA 56 Ca -0.06 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 1nxi h ALA 56 Cb 0.46 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1nxi h ALA 56 CO 0.10 0.15 -0.42 0.00 0.00 0.00 0.00 179.25 179.08 1nxi h ALA 57 N 1.67 0.60 -0.05 0.00 0.00 -1.06 -1.64 119.26 118.78 1nxi h ALA 57 Ca 0.25 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1nxi h ALA 57 Cb 0.20 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1nxi h ALA 57 CO -0.07 0.68 -0.02 0.28 0.00 0.00 0.00 179.25 180.12 1nxi h VAL 58 N 0.70 1.30 0.40 0.00 2.07 0.32 -2.25 116.25 118.79 1nxi h VAL 58 Ca 0.05 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 1nxi h VAL 58 Cb 1.00 1.83 -0.00 0.00 -1.52 0.00 0.00 31.29 32.59 1nxi h VAL 58 CO 0.10 0.26 -0.24 -0.33 0.02 0.00 0.00 177.57 177.37 1nxi h GLU 59 N -0.25 -0.59 -0.98 1.57 3.07 -1.16 0.10 114.58 116.35 1nxi h GLU 59 Ca 0.01 0.04 0.23 0.00 -0.50 0.00 0.00 59.36 59.14 1nxi h GLU 59 Cb 0.42 0.13 -0.08 0.00 -0.84 0.00 0.00 28.75 28.38 1nxi h GLU 59 CO 0.01 -0.39 0.64 0.00 -1.40 0.00 0.00 179.01 177.86 1nxi h ALA 60 N -0.04 2.18 -0.02 3.43 0.00 -1.33 0.45 119.26 123.93 1nxi h ALA 60 Ca -0.05 0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 1nxi h ALA 60 Cb 0.50 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1nxi h ALA 60 CO 0.05 -0.52 -0.79 0.35 0.00 0.00 0.00 179.25 178.34 1nxi h PHE 61 N 0.44 0.31 -0.86 0.00 3.57 -0.70 -2.91 116.94 116.79 1nxi h PHE 61 Ca 0.54 -0.15 -0.03 0.00 3.53 0.00 0.00 57.97 61.85 1nxi h PHE 61 Cb 1.31 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.96 1nxi h PHE 61 CO -0.00 0.92 0.42 -0.22 -2.23 0.00 0.00 178.31 177.19 1nxi h LYS 62 N 0.14 1.24 0.11 1.11 3.64 0.24 -2.84 116.57 120.21 1nxi h LYS 62 Ca -0.03 -0.18 -0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1nxi h LYS 62 Cb 1.38 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1nxi h LYS 62 CO 0.12 0.95 -0.07 0.52 -2.27 0.00 0.00 179.45 178.69 1nxi h MET 63 N 1.23 -0.18 0.00 1.90 2.86 -1.30 -3.46 114.93 115.98 1nxi h MET 63 Ca 0.30 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.95 1nxi h MET 63 Cb 0.11 0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.81 1nxi h MET 63 CO -0.04 -0.12 0.00 0.41 1.06 0.00 0.00 176.91 178.22 1nxi n GLY 64 N -1.18 0.00 3.60 8.32 0.00 -1.07 -5.15 105.19 109.71 1nxi n GLY 64 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 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 2.94 -1.23 1.61 0.40 -1.10 -4.87 117.98 115.72 1nxi s PHE 65 Ca 0.00 0.01 -0.16 0.00 -0.60 0.00 0.00 56.93 56.18 1nxi s PHE 65 Cb 0.00 -1.67 0.13 0.00 0.51 0.00 0.00 43.02 41.98 1nxi s PHE 65 CO 0.00 0.36 1.54 -1.21 0.70 0.00 0.00 175.22 176.61 1nxi s GLU 66 N -1.08 4.03 0.15 0.44 8.01 -0.19 -4.34 118.70 125.72 1nxi s GLU 66 Ca 0.15 -2.30 -0.31 0.00 0.01 0.00 0.00 54.97 52.51 1nxi s GLU 66 Cb -0.11 -5.25 -0.10 0.00 -4.31 0.00 0.00 34.13 24.35 1nxi s GLU 66 CO 0.04 -1.97 1.72 0.54 0.01 0.00 0.00 175.26 175.61 1nxi s VAL 67 N 2.72 2.48 -0.05 2.63 0.11 -1.26 -1.77 120.40 125.26 1nxi s VAL 67 Ca 0.47 0.18 -0.03 0.00 -2.93 0.00 0.00 61.98 59.67 1nxi s VAL 67 Cb -0.00 -3.11 -0.04 0.00 -1.53 0.00 0.00 36.38 31.70 1nxi s VAL 67 CO 0.03 0.01 0.11 -0.22 -3.33 0.00 0.00 175.10 171.69 1nxi s LEU 68 N 1.98 4.09 1.01 2.54 2.96 1.53 -4.90 118.68 127.88 1nxi s LEU 68 Ca 0.76 0.29 -0.19 0.00 -0.22 0.00 0.00 54.13 54.76 1nxi s LEU 68 Cb -0.46 -2.20 -0.10 0.00 0.50 0.00 0.00 46.19 43.93 1nxi s LEU 68 CO 0.33 0.33 -0.70 -0.62 -1.32 0.00 0.00 176.35 174.38 1nxi n GLU 69 N 1.54 -0.24 -4.04 1.98 -0.58 -1.26 -1.86 120.64 116.19 1nxi n GLU 69 Ca -0.16 -0.06 -0.24 0.00 -0.42 0.00 0.00 57.16 56.28 1nxi n GLU 69 Cb 0.54 -1.24 -0.06 0.00 -0.57 0.00 0.00 31.44 30.11 1nxi n GLU 69 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1nxi s ALA 70 N -2.10 3.77 0.01 0.62 0.00 -1.26 -3.89 121.76 118.91 1nxi s ALA 70 Ca 0.44 -1.93 0.05 0.00 0.00 0.00 0.00 51.96 50.52 1nxi s ALA 70 Cb -0.10 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 1nxi s ALA 70 CO 0.74 -0.20 -0.15 -2.00 0.00 0.00 0.00 175.76 174.15 1nxi s GLU 71 N -3.98 1.12 0.24 0.00 2.12 -1.23 -4.83 118.70 112.14 1nxi s GLU 71 Ca 0.40 -0.66 -0.31 0.00 0.36 0.00 0.00 54.97 54.77 1nxi s GLU 71 Cb 0.02 -1.11 -0.14 0.00 0.26 0.00 0.00 34.13 33.16 1nxi s GLU 71 CO 0.23 0.29 1.24 -0.85 -0.54 0.00 0.00 175.26 175.63 1nxi n GLU 72 N 2.31 1.66 -2.43 4.30 0.28 -1.26 -3.60 120.64 121.90 1nxi n GLU 72 Ca -0.16 0.59 -0.05 0.00 -0.16 0.00 0.00 57.16 57.38 1nxi n GLU 72 Cb 0.55 -2.13 -0.01 0.00 1.43 0.00 0.00 31.44 31.27 1nxi n GLU 72 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1nxi n THR 73 N 1.27 0.00 0.00 3.84 -1.04 0.57 -4.89 114.28 114.03 1nxi n THR 73 Ca 0.11 -0.39 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 1nxi n THR 73 Cb 0.30 0.09 0.00 0.00 -1.82 0.00 0.00 70.33 68.90 1nxi n THR 73 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1nxi n GLU 74 N -0.19 0.00 0.02 -2.82 -0.00 -1.26 -3.00 120.64 113.39 1nxi n GLU 74 Ca -0.03 0.00 0.11 0.00 -0.00 0.00 0.00 57.16 57.24 1nxi n GLU 74 Cb 0.10 0.00 -0.06 0.00 -0.00 0.00 0.00 31.44 31.49 1nxi n GLU 74 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1nxi n ASP 75 N 0.00 0.55 -1.85 -1.84 9.92 -1.26 -4.65 116.55 117.42 1nxi n ASP 75 Ca 0.00 -0.30 -0.02 0.00 -0.53 0.00 0.00 54.79 53.94 1nxi n ASP 75 Cb 0.00 1.13 0.05 0.00 -0.64 0.00 0.00 41.12 41.66 1nxi n ASP 75 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1nxi n GLU 76 N -1.97 0.62 -2.28 -1.24 0.00 -1.26 -4.95 120.64 109.54 1nxi n GLU 76 Ca 0.01 -0.70 -0.21 0.00 0.00 0.00 0.00 57.16 56.26 1nxi n GLU 76 Cb 0.45 0.32 -0.02 0.00 0.00 0.00 0.00 31.44 32.19 1nxi n GLU 76 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1nxi n ASP 77 N -0.70 -5.87 0.00 4.31 -0.08 -1.26 -4.78 116.55 108.17 1nxi n ASP 77 Ca -0.12 0.06 0.00 0.00 -1.51 0.00 0.00 54.79 53.21 1nxi n ASP 77 Cb 0.68 -4.92 0.00 0.00 2.34 0.00 0.00 41.12 39.22 1nxi n ASP 77 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1nxi n GLY 78 N -0.93 0.77 3.23 0.27 0.00 -1.26 -5.08 105.19 102.19 1nxi n GLY 78 Ca -0.24 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.63 1nxi n GLY 78 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nxi s ASN 79 N -0.28 1.74 -0.32 1.61 3.84 -1.26 -5.03 114.94 115.24 1nxi s ASN 79 Ca 0.00 -0.92 0.00 0.00 0.21 0.00 0.00 52.86 52.16 1nxi s ASN 79 Cb 0.00 -0.02 0.10 0.00 -0.55 0.00 0.00 41.25 40.78 1nxi s ASN 79 CO 0.00 -0.27 0.09 -0.54 -2.79 0.00 0.00 177.10 173.59 1nxi s LYS 80 N -3.26 0.87 0.50 0.43 1.02 -1.26 -3.98 119.74 114.06 1nxi s LYS 80 Ca 0.12 -1.25 0.07 0.00 0.02 0.00 0.00 55.97 54.93 1nxi s LYS 80 Cb -0.00 -2.24 0.02 0.00 -0.52 0.00 0.00 37.83 35.09 1nxi s LYS 80 CO 0.01 -0.98 0.47 -0.51 -0.92 0.00 0.00 175.35 173.42 1nxi s LEU 81 N 1.46 3.08 -0.03 3.17 1.43 -1.16 -4.80 118.68 121.82 1nxi s LEU 81 Ca 0.10 -0.95 0.04 0.00 -1.03 0.00 0.00 54.13 52.29 1nxi s LEU 81 Cb -0.18 -1.66 -0.00 0.00 0.03 0.00 0.00 46.19 44.38 1nxi s LEU 81 CO -0.21 -0.96 -0.14 -0.76 0.23 0.00 0.00 176.35 174.50 1nxi s LEU 82 N -4.30 1.90 -0.33 1.79 1.02 -1.24 -0.32 118.68 117.20 1nxi s LEU 82 Ca 0.46 -0.29 0.02 0.00 0.02 0.00 0.00 54.13 54.34 1nxi s LEU 82 Cb -0.03 -0.80 0.10 0.00 0.02 0.00 0.00 46.19 45.47 1nxi s LEU 82 CO 0.28 0.13 0.07 0.00 0.02 0.00 0.00 176.35 176.85 1nxi s PHE 84 N 1.19 3.65 0.28 0.00 -0.71 -0.67 -3.56 117.98 118.16 1nxi s PHE 84 Ca 0.10 1.07 0.06 0.00 -1.04 0.00 0.00 56.93 57.13 1nxi s PHE 84 Cb -0.18 -2.36 -0.03 0.00 -1.21 0.00 0.00 43.02 39.24 1nxi s PHE 84 CO -0.15 0.49 0.32 -0.51 -1.34 0.00 0.00 175.22 174.03 1nxi s ASP 85 N -1.54 5.80 -0.01 1.98 1.11 -0.78 -2.23 116.67 121.01 1nxi s ASP 85 Ca 0.34 -0.19 0.01 0.00 0.18 0.00 0.00 52.55 52.89 1nxi s ASP 85 Cb -0.16 -1.43 0.00 0.00 1.07 0.00 0.00 42.92 42.41 1nxi s ASP 85 CO 0.18 -0.18 -0.03 0.00 1.18 0.00 0.00 175.17 176.32 1nxi s ALA 86 N -2.13 0.33 -0.05 5.23 0.00 -0.68 0.44 121.76 124.90 1nxi s ALA 86 Ca 0.37 -0.11 0.06 0.00 0.00 0.00 0.00 51.96 52.28 1nxi s ALA 86 Cb -0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 1nxi s ALA 86 CO 0.28 0.05 -0.22 0.95 0.00 0.00 0.00 175.76 176.82 1nxi s THR 87 N 0.12 2.35 -0.04 0.00 -4.23 -0.73 -0.64 115.64 112.47 1nxi s THR 87 Ca -0.01 -0.97 -0.02 0.00 -1.18 0.00 0.00 61.69 59.51 1nxi s THR 87 Cb -0.04 -1.87 0.03 0.00 1.34 0.00 0.00 72.50 71.96 1nxi s THR 87 CO -0.00 0.57 0.05 -0.32 -0.54 0.00 0.00 174.62 174.38 1nxi s MET 88 N -0.35 -0.01 -0.22 3.99 1.75 -0.92 -1.02 119.30 122.52 1nxi s MET 88 Ca 0.02 0.34 -0.28 0.00 -1.25 0.00 0.00 55.69 54.52 1nxi s MET 88 Cb -0.12 -0.52 0.00 0.00 2.84 0.00 0.00 34.83 37.03 1nxi s MET 88 CO 0.02 -0.31 0.97 -0.65 -0.65 0.00 0.00 175.02 174.40 1nxi s GLN 89 N 2.03 4.25 0.34 4.11 1.11 -1.26 -1.86 119.66 128.38 1nxi s GLN 89 Ca 0.03 1.23 -0.01 0.00 0.01 0.00 0.00 55.36 56.62 1nxi s GLN 89 Cb -0.12 -3.63 -0.00 0.00 -1.01 0.00 0.00 33.01 28.25 1nxi s GLN 89 CO -0.03 -0.56 0.44 -1.54 0.01 0.00 0.00 175.29 173.61 1nxi s SER 90 N 1.23 1.03 0.08 5.90 1.04 -0.22 -4.97 113.70 117.80 1nxi s SER 90 Ca 0.41 -1.53 -0.15 0.00 0.48 0.00 0.00 55.95 55.17 1nxi s SER 90 Cb -0.15 0.64 -0.06 0.00 0.10 0.00 0.00 66.02 66.54 1nxi s SER 90 CO 0.08 -1.25 0.49 0.00 0.98 0.00 0.00 173.24 173.54 1nxi s ALA 91 N -3.13 3.63 -0.51 5.32 0.00 -1.26 -0.50 121.76 125.31 1nxi s ALA 91 Ca 0.32 -0.15 -0.29 0.00 0.00 0.00 0.00 51.96 51.85 1nxi s ALA 91 Cb 0.00 -2.48 -0.10 0.00 0.00 0.00 0.00 23.12 20.55 1nxi s ALA 91 CO 0.21 0.46 2.40 -0.11 0.00 0.00 0.00 175.76 178.73 1nxi n LEU 92 N 1.31 2.10 -3.66 0.00 7.94 -1.26 -4.86 117.00 118.57 1nxi n LEU 92 Ca -0.09 -0.15 -0.07 0.00 -1.11 0.00 0.00 56.01 54.59 1nxi n LEU 92 Cb 0.52 -1.42 -0.08 0.00 0.53 0.00 0.00 43.42 42.96 1nxi n LEU 92 CO 0.41 -1.17 0.19 -1.81 -1.11 0.00 0.00 177.39 173.89 1nxi s ASP 93 N 10.36 -0.74 0.23 1.96 1.01 -1.26 -4.98 116.67 123.24 1nxi s ASP 93 Ca 1.06 1.26 -0.08 0.00 0.71 0.00 0.00 52.55 55.51 1nxi s ASP 93 Cb -0.48 1.40 0.20 0.00 1.01 0.00 0.00 42.92 45.05 1nxi s ASP 93 CO 0.35 -0.22 1.86 0.00 0.21 0.00 0.00 175.17 177.36 1nxi h ALA 94 N 7.46 1.12 0.58 5.23 0.00 -1.97 -0.72 119.26 130.96 1nxi h ALA 94 Ca -0.27 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1nxi h ALA 94 Cb 1.17 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 18.61 1nxi h ALA 94 CO 0.18 0.61 -0.28 0.87 0.00 0.00 0.00 179.25 180.63 1nxi h LYS 95 N 1.22 -0.75 -0.78 0.00 1.57 -1.97 0.71 116.57 116.56 1nxi h LYS 95 Ca 0.31 0.05 0.14 0.00 -1.87 0.00 0.00 60.65 59.29 1nxi h LYS 95 Cb 0.00 0.17 -0.09 0.00 0.08 0.00 0.00 32.23 32.39 1nxi h LYS 95 CO -0.05 -0.46 0.35 -0.07 -0.57 0.00 0.00 179.45 178.65 1nxi h LEU 96 N -0.89 0.36 -1.62 2.94 4.07 -1.87 0.56 115.31 118.85 1nxi h LEU 96 Ca -0.08 0.10 -0.04 0.00 0.08 0.00 0.00 57.88 57.94 1nxi h LEU 96 Cb 0.64 0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.43 1nxi h LEU 96 CO 0.13 0.14 -0.20 0.40 -1.08 0.00 0.00 178.44 177.83 1nxi h ILE 97 N 0.50 1.04 0.17 1.22 2.04 -0.83 -1.75 117.51 119.90 1nxi h ILE 97 Ca 0.43 -0.73 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1nxi h ILE 97 Cb 0.64 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 1nxi h ILE 97 CO -0.39 0.20 -0.08 -0.78 0.00 0.00 0.00 178.15 177.10 1nxi h ASP 98 N 0.00 -0.20 -0.16 1.72 3.58 0.25 -1.80 116.42 119.82 1nxi h ASP 98 Ca -0.00 -0.28 0.01 0.00 0.42 0.00 0.00 57.03 57.17 1nxi h ASP 98 Cb 0.39 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 1nxi h ASP 98 CO 0.03 0.21 0.09 -0.33 -2.88 0.00 0.00 179.24 176.35 1nxi h GLU 99 N -0.64 0.18 -0.25 0.28 5.08 -1.14 0.14 114.58 118.24 1nxi h GLU 99 Ca -0.02 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1nxi h GLU 99 Cb 0.47 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.61 1nxi h GLU 99 CO 0.04 0.12 -0.22 1.96 -1.00 0.00 0.00 179.01 179.91 1nxi h GLN 100 N 0.19 -0.21 0.84 2.33 1.08 -1.34 0.06 115.11 118.06 1nxi h GLN 100 Ca 0.06 0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.23 1nxi h GLN 100 Cb -0.01 0.05 0.01 0.00 -0.05 0.00 0.00 27.48 27.48 1nxi h GLN 100 CO -0.03 -0.14 -0.41 0.28 -0.95 0.00 0.00 178.83 177.59 1nxi h VAL 101 N -0.21 0.08 -1.45 -0.54 2.07 -1.00 -2.33 116.25 112.85 1nxi h VAL 101 Ca 0.14 -0.12 0.43 0.00 0.82 0.00 0.00 66.70 67.97 1nxi h VAL 101 Cb 0.43 0.09 -0.08 0.00 -1.52 0.00 0.00 31.29 30.20 1nxi h VAL 101 CO -0.38 0.00 1.01 -0.08 0.02 0.00 0.00 177.57 178.15 1nxi h GLU 102 N -1.24 0.06 -0.02 1.57 4.81 -0.45 0.45 114.58 119.76 1nxi h GLU 102 Ca -0.12 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 1nxi h GLU 102 Cb 0.88 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.24 1nxi h GLU 102 CO 0.19 0.04 -0.02 -0.22 -0.73 0.00 0.00 179.01 178.27 1nxi h LYS 103 N 0.06 0.05 0.00 1.92 1.63 -0.46 -1.77 116.57 118.00 1nxi h LYS 103 Ca 0.75 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 60.48 1nxi h LYS 103 Cb 2.74 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 34.36 1nxi h LYS 103 CO -0.15 0.51 -0.21 -0.07 -3.45 0.00 0.00 179.45 176.09 1nxi h LEU 104 N -0.42 0.00 0.20 5.20 3.38 0.15 -1.93 115.31 121.89 1nxi h LEU 104 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1nxi h LEU 104 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1nxi h LEU 104 CO 0.00 0.21 -0.09 0.58 0.09 0.00 0.00 178.44 179.23 1nxi h VAL 105 N 0.00 0.80 -0.25 1.22 2.07 -0.58 0.77 116.25 120.27 1nxi h VAL 105 Ca -0.00 -1.00 0.01 0.00 0.82 0.00 0.00 66.70 66.53 1nxi h VAL 105 Cb 0.56 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1nxi h VAL 105 CO 0.03 0.19 0.13 0.78 0.02 0.00 0.00 177.57 178.72 1nxi h ASN 106 N -0.84 0.20 -0.38 0.57 2.35 -1.26 -2.51 115.58 113.71 1nxi h ASN 106 Ca -0.03 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 1nxi h ASN 106 Cb 0.52 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 1nxi h ASN 106 CO 0.04 0.15 0.20 0.25 -1.65 0.00 0.00 177.43 176.43 1nxi h LEU 107 N 0.27 0.48 -0.37 1.61 6.46 -1.42 -0.86 115.31 121.49 1nxi h LEU 107 Ca 0.10 -0.10 0.06 0.00 -0.12 0.00 0.00 57.88 57.83 1nxi h LEU 107 Cb 0.02 -0.12 -0.09 0.00 -0.73 0.00 0.00 40.66 39.74 1nxi h LEU 107 CO -0.06 0.44 -0.45 0.00 -0.62 0.00 0.00 178.44 177.74 1nxi h ALA 108 N 1.06 -0.52 0.00 1.25 0.00 -0.43 0.66 119.26 121.29 1nxi h ALA 108 Ca 0.13 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1nxi h ALA 108 Cb 0.07 0.93 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1nxi h ALA 108 CO -0.02 -0.91 -0.01 0.93 0.00 0.00 0.00 179.25 179.24 1nxi h GLU 109 N -0.36 0.00 -0.03 0.00 3.07 -1.31 -1.83 114.58 114.11 1nxi h GLU 109 Ca 0.12 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.88 1nxi h GLU 109 Cb 0.60 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.49 1nxi h GLU 109 CO -0.56 0.01 -0.42 -0.22 -1.40 0.00 0.00 179.01 176.42 1nxi h LYS 110 N 0.00 0.07 0.00 2.33 3.64 0.18 -3.39 116.57 119.39 1nxi h LYS 110 Ca -0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1nxi h LYS 110 Cb 0.35 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1nxi h LYS 110 CO 0.00 0.48 0.00 1.19 -2.27 0.00 0.00 179.45 178.85 1nxi n PHE 111 N -4.03 0.00 0.00 1.91 3.72 -0.56 -5.06 117.46 113.45 1nxi n PHE 111 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1nxi n PHE 111 Cb 0.46 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 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 -1.91 0.00 -4.26 4.37 9.92 -0.75 -5.11 116.55 118.81 1nxi n ASP 112 Ca 0.00 0.00 -0.21 0.00 -0.53 0.00 0.00 54.79 54.05 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 1.54 -0.41 0.53 -4.36 -1.09 -4.51 121.20 112.89 1nxi s ILE 113 Ca 0.00 -1.58 -0.16 0.00 -0.26 0.00 0.00 60.65 58.64 1nxi s ILE 113 Cb 0.00 -1.49 0.02 0.00 1.25 0.00 0.00 42.46 42.24 1nxi s ILE 113 CO 0.00 -0.20 0.38 -0.51 0.24 0.00 0.00 174.94 174.85 1nxi s ILE 114 N -1.49 5.16 -0.13 8.37 1.10 -1.17 -4.32 121.20 128.70 1nxi s ILE 114 Ca 0.07 -0.46 -0.20 0.00 -0.51 0.00 0.00 60.65 59.54 1nxi s ILE 114 Cb -0.08 -3.99 -0.03 0.00 0.15 0.00 0.00 42.46 38.50 1nxi s ILE 114 CO 0.04 -0.37 0.58 -0.47 -2.11 0.00 0.00 174.94 172.61 1nxi s TYR 115 N 1.96 3.48 -0.32 3.50 5.04 -1.26 -3.83 117.35 125.91 1nxi s TYR 115 Ca 0.09 0.98 -0.09 0.00 -2.44 0.00 0.00 57.07 55.62 1nxi s TYR 115 Cb -0.18 -2.70 0.21 0.00 0.35 0.00 0.00 41.96 39.65 1nxi s TYR 115 CO 0.12 0.03 1.14 0.34 -1.34 0.00 0.00 175.55 175.84 1nxi s ASP 116 N 0.88 -0.14 0.00 4.32 2.15 -1.26 -5.07 116.67 117.55 1nxi s ASP 116 Ca 0.30 -0.15 0.00 0.00 0.43 0.00 0.00 52.55 53.12 1nxi s ASP 116 Cb -0.16 0.18 0.00 0.00 -0.30 0.00 0.00 42.92 42.64 1nxi s ASP 116 CO 0.12 -0.01 0.00 0.61 -0.17 0.00 0.00 175.17 175.73 1nxi n GLY 117 N 2.66 -1.49 3.21 2.66 0.00 -1.26 -4.96 105.19 106.01 1nxi n GLY 117 Ca 0.10 0.79 -0.31 0.00 0.00 0.00 0.00 46.02 46.60 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 2.34 0.13 1.61 1.48 -1.26 -0.42 118.94 122.82 1nxi s TRP 118 Ca 0.00 -0.85 -0.01 0.00 -1.06 0.00 0.00 56.10 54.19 1nxi s TRP 118 Cb 0.00 -1.56 -0.04 0.00 -1.16 0.00 0.00 33.47 30.71 1nxi s TRP 118 CO 0.00 -0.32 0.05 0.20 -4.06 0.00 0.00 176.95 172.82 1nxi s GLY 119 N 0.18 1.00 0.04 3.67 0.00 -0.74 -5.02 107.32 106.44 1nxi s GLY 119 Ca -0.12 -1.48 0.02 0.00 0.00 0.00 0.00 44.72 43.14 1nxi s GLY 119 CO 0.06 -1.38 -0.06 -1.08 0.00 0.00 0.00 173.10 170.64 1nxi s THR 120 N -4.00 0.43 -0.10 0.90 -1.32 -1.26 -1.52 115.64 108.77 1nxi s THR 120 Ca 0.24 -1.11 0.01 0.00 -1.21 0.00 0.00 61.69 59.62 1nxi s THR 120 Cb 0.07 -0.61 -0.02 0.00 -1.51 0.00 0.00 72.50 70.44 1nxi s THR 120 CO 0.02 -0.46 -0.12 -0.47 -2.21 0.00 0.00 174.62 171.38 1nxi s TYR 121 N -1.59 2.79 -0.47 9.09 6.14 -1.26 -5.03 117.35 127.02 1nxi s TYR 121 Ca -0.10 -0.40 -0.28 0.00 0.64 0.00 0.00 57.07 56.93 1nxi s TYR 121 Cb -0.09 -1.76 0.00 0.00 0.42 0.00 0.00 41.96 40.53 1nxi s TYR 121 CO -0.01 -0.02 1.51 -0.47 0.64 0.00 0.00 175.55 177.21 1nxi s TYR 122 N -0.12 2.21 -0.83 4.97 5.04 -1.26 -4.70 117.35 122.65 1nxi s TYR 122 Ca -0.01 0.61 -0.26 0.00 -2.44 0.00 0.00 57.07 54.97 1nxi s TYR 122 Cb -0.14 -4.29 -0.19 0.00 0.35 0.00 0.00 41.96 37.69 1nxi s TYR 122 CO 0.03 -2.15 2.52 -1.91 -1.34 0.00 0.00 175.55 172.70 1nxi n GLU 123 N 8.43 0.35 0.12 4.97 0.00 -1.26 -4.11 120.64 129.14 1nxi n GLU 123 Ca 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 57.16 57.25 1nxi n GLU 123 Cb 0.49 -2.19 0.00 0.00 0.00 0.00 0.00 31.44 29.73 1nxi n GLU 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1nxi n GLY 124 N 6.24 -1.83 2.70 8.31 0.00 -1.26 -5.12 105.19 114.24 1nxi n GLY 124 Ca 0.56 0.41 -0.01 0.00 0.00 0.00 0.00 46.02 46.97 1nxi n GLY 124 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nxi n LEU 125 N -3.00 -4.22 0.00 0.99 4.77 -1.26 -5.00 117.00 109.28 1nxi n LEU 125 Ca 0.00 1.43 0.00 0.00 -0.03 0.00 0.00 56.01 57.41 1nxi n LEU 125 Cb 0.00 -2.06 0.00 0.00 -2.33 0.00 0.00 43.42 39.03 1nxi n LEU 125 CO 0.00 -2.84 0.00 -0.62 -1.33 0.00 0.00 177.39 172.60 1nxi n GLU 126 N 2.20 3.34 -3.01 3.23 1.02 -1.26 -5.00 120.64 121.17 1nxi n GLU 126 Ca -0.09 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.60 1nxi n GLU 126 Cb 0.14 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.53 1nxi n GLU 126 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1nxi s HIS 127 N 2.18 3.13 -0.02 -0.32 3.76 -1.26 -4.95 115.29 117.81 1nxi s HIS 127 Ca 0.00 -1.29 -0.29 0.00 -0.15 0.00 0.00 55.06 53.33 1nxi s HIS 127 Cb 0.00 -4.17 0.10 0.00 1.11 0.00 0.00 32.58 29.62 1nxi s HIS 127 CO 0.00 -1.41 0.95 -1.58 -0.85 0.00 0.00 174.74 171.86 1nxi s HIS 128 N 2.51 -0.29 0.00 1.40 5.04 -1.26 -5.06 115.29 117.64 1nxi s HIS 128 Ca 0.26 0.15 0.00 0.00 -1.54 0.00 0.00 55.06 53.92 1nxi s HIS 128 Cb -0.10 0.54 0.00 0.00 0.04 0.00 0.00 32.58 33.06 1nxi s HIS 128 CO -0.04 -0.51 0.00 0.72 -2.34 0.00 0.00 174.74 172.57 1nxi n HIS 129 N -0.25 0.00 -3.23 3.88 8.25 -1.26 -5.10 115.22 117.51 1nxi n HIS 129 Ca -0.07 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.37 1nxi n HIS 129 Cb 0.61 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.69 1nxi n HIS 129 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1nxi s HIS 130 N 0.00 -1.34 0.00 4.41 -3.43 -1.26 -5.07 115.29 108.60 1nxi s HIS 130 Ca 0.00 1.12 0.00 0.00 -0.80 0.00 0.00 55.06 55.38 1nxi s HIS 130 Cb 0.00 0.25 0.00 0.00 -1.43 0.00 0.00 32.58 31.40 1nxi s HIS 130 CO 0.00 -0.89 0.00 0.72 -2.00 0.00 0.00 174.74 172.57 1nxi n HIS 131 N 5.40 0.00 1.02 0.38 -0.00 -1.26 -5.30 115.22 115.46 1nxi n HIS 131 Ca -0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.80 1nxi n HIS 131 Cb 0.51 0.00 0.49 0.00 -0.00 0.00 0.00 29.99 30.99 1nxi n HIS 131 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06