#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 -3.60 0.22 7.83 3.41 -1.26 -4.74 113.62 115.49 1nxi n SER 2 Ca 0.00 -0.21 0.15 0.00 -0.26 0.00 0.00 58.87 58.55 1nxi n SER 2 Cb 0.00 -3.01 0.78 0.00 -0.26 0.00 0.00 64.21 61.72 1nxi n SER 2 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1nxi h HIS 3 N -0.69 0.00 -2.25 7.33 -0.00 -2.08 -3.43 115.15 114.04 1nxi h HIS 3 Ca -0.37 0.00 -0.20 0.00 -0.00 0.00 0.00 60.37 59.80 1nxi h HIS 3 Cb 1.26 0.00 0.11 0.00 -0.00 0.00 0.00 27.41 28.77 1nxi h HIS 3 CO 0.69 0.00 -0.01 1.04 -0.00 0.00 0.00 177.93 179.64 1nxi n GLN 4 N -2.52 -2.82 0.00 5.26 1.13 -1.26 -4.55 117.38 112.61 1nxi n GLN 4 Ca -0.02 -0.84 0.00 0.00 -1.94 0.00 0.00 57.00 54.20 1nxi n GLN 4 Cb 0.07 -0.93 0.00 0.00 0.11 0.00 0.00 30.24 29.49 1nxi n GLN 4 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1nxi n ASP 5 N -4.23 0.00 -3.16 1.08 8.00 -1.26 -4.84 116.55 112.13 1nxi n ASP 5 Ca 0.08 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.35 1nxi n ASP 5 Cb 0.31 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.44 1nxi n ASP 5 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1nxi n ASP 6 N 5.03 -6.82 -3.16 -2.24 9.92 -1.26 -4.70 116.55 113.32 1nxi n ASP 6 Ca 0.00 0.21 -0.35 0.00 -0.53 0.00 0.00 54.79 54.12 1nxi n ASP 6 Cb 0.00 -3.67 -0.02 0.00 -0.64 0.00 0.00 41.12 36.79 1nxi n ASP 6 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1nxi n TYR 7 N -0.26 -0.28 -2.09 1.24 4.02 -1.26 -4.86 117.16 113.68 1nxi n TYR 7 Ca 0.02 0.70 -0.02 0.00 -0.01 0.00 0.00 57.90 58.60 1nxi n TYR 7 Cb 0.56 -1.41 -0.02 0.00 -0.02 0.00 0.00 39.34 38.45 1nxi n TYR 7 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 1nxi n LEU 8 N 1.40 -0.18 0.11 7.72 7.94 -1.26 -4.93 117.00 127.80 1nxi n LEU 8 Ca 0.13 -1.53 0.00 0.00 -1.11 0.00 0.00 56.01 53.50 1nxi n LEU 8 Cb 0.17 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.12 1nxi n LEU 8 CO 0.40 0.97 0.00 -1.20 -1.11 0.00 0.00 177.39 176.46 1nxi n SER 9 N 0.09 -0.39 -0.01 1.96 7.64 -1.26 -4.65 113.62 117.00 1nxi n SER 9 Ca -0.09 0.39 0.23 0.00 1.01 0.00 0.00 58.87 60.41 1nxi n SER 9 Cb 0.72 0.54 0.72 0.00 -1.01 0.00 0.00 64.21 65.18 1nxi n SER 9 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 1nxi h VAL 10 N 0.00 0.51 0.00 0.44 3.04 -2.00 0.44 116.25 118.67 1nxi h VAL 10 Ca 0.00 0.00 -0.19 0.00 -1.01 0.00 0.00 66.70 65.50 1nxi h VAL 10 Cb 0.00 0.64 -0.03 0.00 -2.01 0.00 0.00 31.29 29.89 1nxi h VAL 10 CO 0.00 0.00 -1.03 -0.08 -1.01 0.00 0.00 177.57 175.45 1nxi h GLU 11 N 0.00 0.00 -0.17 4.17 4.57 -1.92 -3.20 114.58 118.03 1nxi h GLU 11 Ca 0.27 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.42 1nxi h GLU 11 Cb 1.24 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.82 1nxi h GLU 11 CO -0.00 0.73 -0.03 0.93 -1.18 0.00 0.00 179.01 179.46 1nxi h GLU 12 N 0.00 0.32 0.00 1.92 4.39 -0.41 -2.59 114.58 118.21 1nxi h GLU 12 Ca -0.07 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.49 1nxi h GLU 12 Cb 1.70 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 30.33 1nxi h GLU 12 CO 0.10 0.58 -0.10 -0.07 -1.16 0.00 0.00 179.01 178.36 1nxi h LEU 13 N 0.03 0.00 -0.07 1.33 3.38 -1.52 -2.56 115.31 115.90 1nxi h LEU 13 Ca 0.04 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 1nxi h LEU 13 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1nxi h LEU 13 CO 0.01 0.10 -0.22 0.40 0.09 0.00 0.00 178.44 178.82 1nxi h ILE 14 N 0.00 1.42 0.39 1.22 2.04 -1.47 -0.38 117.51 120.73 1nxi h ILE 14 Ca -0.00 -1.59 -0.02 0.00 1.00 0.00 0.00 64.86 64.25 1nxi h ILE 14 Cb 0.33 2.27 0.00 0.00 -0.74 0.00 0.00 36.82 38.68 1nxi h ILE 14 CO 0.01 0.45 -0.19 -0.08 0.00 0.00 0.00 178.15 178.35 1nxi h GLU 15 N -0.22 -0.50 0.77 2.37 4.57 -1.20 -2.31 114.58 118.05 1nxi h GLU 15 Ca -0.01 0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.17 1nxi h GLU 15 Cb 0.84 0.11 0.01 0.00 -0.16 0.00 0.00 28.75 29.55 1nxi h GLU 15 CO 0.05 -0.27 -0.38 0.82 -1.18 0.00 0.00 179.01 178.04 1nxi h ILE 16 N -0.64 0.00 -0.79 2.32 2.04 -1.55 -2.61 117.51 116.27 1nxi h ILE 16 Ca -0.05 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.00 1nxi h ILE 16 Cb 0.47 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.40 1nxi h ILE 16 CO 0.09 0.00 -0.06 1.67 0.00 0.00 0.00 178.15 179.85 1nxi n GLN 17 N -4.87 -0.07 0.15 2.37 -0.06 -0.15 1.00 117.38 115.75 1nxi n GLN 17 Ca -0.13 1.21 -0.15 0.00 -2.00 0.00 0.00 57.00 55.92 1nxi n GLN 17 Cb 0.42 -1.87 -0.08 0.00 -4.06 0.00 0.00 30.24 24.65 1nxi n GLN 17 CO 0.00 0.00 0.00 0.87 -0.20 0.00 0.00 177.06 177.73 1nxi h LYS 18 N 0.00 -0.68 -0.85 3.69 6.56 -1.04 0.51 116.57 124.75 1nxi h LYS 18 Ca 0.45 0.05 0.20 0.00 -1.06 0.00 0.00 60.65 60.28 1nxi h LYS 18 Cb 0.85 0.15 -0.12 0.00 -0.57 0.00 0.00 32.23 32.54 1nxi h LYS 18 CO -0.77 -0.45 0.35 0.93 -2.06 0.00 0.00 179.45 177.44 1nxi h GLU 19 N -0.71 0.39 0.27 3.15 5.08 0.90 0.19 114.58 123.86 1nxi h GLU 19 Ca 0.01 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1nxi h GLU 19 Cb 0.70 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 1nxi h GLU 19 CO -0.20 0.26 -0.17 0.93 -1.00 0.00 0.00 179.01 178.82 1nxi h GLU 20 N 0.40 -0.42 0.40 2.33 4.39 0.00 -1.53 114.58 120.16 1nxi h GLU 20 Ca 0.51 0.03 -0.01 0.00 0.34 0.00 0.00 59.36 60.23 1nxi h GLU 20 Cb 0.92 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.66 1nxi h GLU 20 CO -0.50 -0.28 -0.35 1.15 -1.16 0.00 0.00 179.01 177.87 1nxi h THR 21 N -0.43 0.00 -1.10 1.13 2.02 0.90 -1.64 112.91 113.78 1nxi h THR 21 Ca -0.03 0.00 0.38 0.00 0.77 0.00 0.00 66.41 67.53 1nxi h THR 21 Cb 0.36 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.62 1nxi h THR 21 CO 0.03 0.00 0.65 0.03 0.37 0.00 0.00 175.52 176.60 1nxi h ARG 22 N -0.74 0.17 -0.06 6.66 3.08 -1.05 0.47 114.38 122.91 1nxi h ARG 22 Ca -0.05 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1nxi h ARG 22 Cb 0.63 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 1nxi h ARG 22 CO -0.02 0.11 0.04 0.22 -1.07 0.00 0.00 179.97 179.25 1nxi h ASP 23 N 0.17 0.08 0.70 7.04 3.58 -0.34 -2.06 116.42 125.58 1nxi h ASP 23 Ca 0.79 -0.04 -0.03 0.00 0.42 0.00 0.00 57.03 58.16 1nxi h ASP 23 Cb 2.09 -0.02 0.01 0.00 1.72 0.00 0.00 39.33 43.13 1nxi h ASP 23 CO -0.58 0.10 -0.34 0.40 -2.88 0.00 0.00 179.24 175.94 1nxi h ILE 24 N 0.05 0.04 -1.48 2.25 2.04 0.42 -2.05 117.51 118.77 1nxi h ILE 24 Ca 0.02 -0.30 0.43 0.00 1.00 0.00 0.00 64.86 66.01 1nxi h ILE 24 Cb 0.04 0.06 -0.06 0.00 -0.74 0.00 0.00 36.82 36.12 1nxi h ILE 24 CO -0.00 0.01 1.15 0.40 0.00 0.00 0.00 178.15 179.70 1nxi h ILE 25 N -1.23 0.16 0.03 -0.67 1.08 -1.21 0.29 117.51 115.96 1nxi h ILE 25 Ca -0.10 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.37 1nxi h ILE 25 Cb 0.73 0.18 0.00 0.00 -3.07 0.00 0.00 36.82 34.66 1nxi h ILE 25 CO 0.16 0.00 -0.01 1.56 -0.69 0.00 0.00 178.15 179.17 1nxi h GLN 26 N 0.00 -0.03 -0.31 2.37 1.08 -1.05 -2.54 115.11 114.63 1nxi h GLN 26 Ca 0.71 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.90 1nxi h GLN 26 Cb 2.99 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 30.41 1nxi h GLN 26 CO -0.01 0.66 0.18 0.00 -0.95 0.00 0.00 178.83 178.71 1nxi h ALA 27 N -0.15 1.74 -0.22 3.87 0.00 0.13 0.65 119.26 125.28 1nxi h ALA 27 Ca -0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1nxi h ALA 27 Cb 0.71 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1nxi h ALA 27 CO 0.01 0.23 -0.13 -0.07 0.00 0.00 0.00 179.25 179.29 1nxi h LEU 28 N 0.42 0.49 0.20 0.00 3.38 -0.78 -2.03 115.31 116.99 1nxi h LEU 28 Ca 0.11 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1nxi h LEU 28 Cb -0.00 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1nxi h LEU 28 CO -0.02 0.80 -0.09 -0.07 0.09 0.00 0.00 178.44 179.15 1nxi h LEU 29 N 0.17 -0.22 -0.82 1.67 -0.00 -0.96 -2.87 115.31 112.27 1nxi h LEU 29 Ca 0.05 -0.26 0.19 0.00 -0.00 0.00 0.00 57.88 57.86 1nxi h LEU 29 Cb 0.63 0.06 -0.12 0.00 -0.00 0.00 0.00 40.66 41.23 1nxi h LEU 29 CO 0.04 0.17 0.27 -0.33 -0.00 0.00 0.00 178.44 178.59 1nxi h GLU 30 N -0.66 0.31 -0.84 1.13 5.08 -0.94 0.66 114.58 119.32 1nxi h GLU 30 Ca -0.03 -0.02 0.17 0.00 -1.00 0.00 0.00 59.36 58.49 1nxi h GLU 30 Cb 0.47 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.59 1nxi h GLU 30 CO 0.04 0.21 0.56 -0.44 -1.00 0.00 0.00 179.01 178.38 1nxi h ASP 31 N 0.32 0.43 0.00 1.42 5.19 -1.27 -3.45 116.42 119.07 1nxi h ASP 31 Ca 0.49 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.93 1nxi h ASP 31 Cb 0.89 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.35 1nxi h ASP 31 CO -0.53 0.20 0.00 0.61 -3.12 0.00 0.00 179.24 176.40 1nxi n GLY 32 N -1.51 1.58 3.22 2.75 0.00 0.23 -5.09 105.19 106.37 1nxi n GLY 32 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.74 -3.62 1.61 3.41 -1.09 -4.94 113.62 106.25 1nxi n SER 33 Ca 0.00 -0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.34 1nxi n SER 33 Cb 0.00 -0.89 -0.10 0.00 -0.26 0.00 0.00 64.21 62.96 1nxi n SER 33 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1nxi n ASP 34 N -0.13 2.06 0.25 4.04 8.00 -1.26 -4.93 116.55 124.57 1nxi n ASP 34 Ca 0.01 -3.01 0.17 0.00 0.71 0.00 0.00 54.79 52.67 1nxi n ASP 34 Cb 0.63 -0.68 0.81 0.00 -0.02 0.00 0.00 41.12 41.86 1nxi n ASP 34 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 1nxi h PRO 35 N 5.07 0.00 0.00 -0.24 0.11 -1.92 -2.17 132.00 132.85 1nxi h PRO 35 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1nxi h PRO 35 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1nxi h PRO 35 CO 0.63 0.00 0.43 0.38 -0.21 0.00 0.00 178.00 179.23 1nxi h ASP 36 N 0.00 0.00 0.00 -2.05 2.03 -1.99 -3.31 116.42 111.10 1nxi h ASP 36 Ca 0.07 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.37 1nxi h ASP 36 Cb 0.76 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.26 1nxi h ASP 36 CO -0.00 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.21 1nxi n ALA 37 N -1.61 0.00 -3.23 4.15 0.00 -0.82 -5.12 120.51 113.88 1nxi n ALA 37 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.33 1nxi n ALA 37 Cb 0.45 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.86 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 0.07 -0.02 0.00 2.96 -1.25 -4.96 118.68 115.49 1nxi s LEU 38 Ca 0.00 -0.36 -0.02 0.00 -0.22 0.00 0.00 54.13 53.53 1nxi s LEU 38 Cb 0.00 2.12 0.01 0.00 0.50 0.00 0.00 46.19 48.82 1nxi s LEU 38 CO 0.00 -0.98 0.05 -0.31 -1.32 0.00 0.00 176.35 173.79 1nxi s TYR 39 N -3.84 -0.05 -0.04 5.38 1.51 -0.02 -4.88 117.35 115.42 1nxi s TYR 39 Ca 0.06 0.15 0.01 0.00 -1.01 0.00 0.00 57.07 56.28 1nxi s TYR 39 Cb -0.00 -0.02 -0.03 0.00 -0.11 0.00 0.00 41.96 41.80 1nxi s TYR 39 CO -0.07 -0.04 -0.03 -1.83 -1.11 0.00 0.00 175.55 172.47 1nxi s GLU 40 N 0.21 2.78 0.18 -0.62 -1.05 -1.26 -1.05 118.70 117.89 1nxi s GLU 40 Ca -0.02 -0.57 0.08 0.00 -0.15 0.00 0.00 54.97 54.32 1nxi s GLU 40 Cb -0.02 -2.65 -0.04 0.00 -0.44 0.00 0.00 34.13 30.98 1nxi s GLU 40 CO -0.01 0.65 -0.17 0.42 0.95 0.00 0.00 175.26 177.10 1nxi s ILE 41 N -0.96 1.80 -0.01 1.83 1.09 -0.89 -3.05 121.20 121.00 1nxi s ILE 41 Ca 0.16 -2.01 -0.00 0.00 -1.10 0.00 0.00 60.65 57.69 1nxi s ILE 41 Cb -0.11 -1.90 0.02 0.00 -1.06 0.00 0.00 42.46 39.40 1nxi s ILE 41 CO 0.06 -0.41 0.02 -1.61 -0.10 0.00 0.00 174.94 172.90 1nxi s GLU 42 N -3.06 -0.02 -0.06 2.79 2.02 -0.01 -1.59 118.70 118.77 1nxi s GLU 42 Ca 0.18 0.10 0.06 0.00 0.02 0.00 0.00 54.97 55.33 1nxi s GLU 42 Cb -0.04 -0.12 -0.01 0.00 0.10 0.00 0.00 34.13 34.06 1nxi s GLU 42 CO 0.07 -0.08 -0.25 -1.01 0.02 0.00 0.00 175.26 174.00 1nxi s HIS 43 N 0.54 2.44 -0.11 1.61 3.76 -0.04 -1.70 115.29 121.79 1nxi s HIS 43 Ca -0.04 -0.72 -0.04 0.00 -0.15 0.00 0.00 55.06 54.10 1nxi s HIS 43 Cb -0.06 -1.60 -0.03 0.00 1.11 0.00 0.00 32.58 31.99 1nxi s HIS 43 CO -0.02 -0.22 0.03 -1.01 -0.85 0.00 0.00 174.74 172.68 1nxi s HIS 44 N -0.16 3.23 -0.05 1.40 3.76 0.33 -1.00 115.29 122.80 1nxi s HIS 44 Ca -0.04 0.18 -0.02 0.00 -0.15 0.00 0.00 55.06 55.03 1nxi s HIS 44 Cb -0.14 -1.88 0.04 0.00 1.11 0.00 0.00 32.58 31.71 1nxi s HIS 44 CO 0.04 0.41 0.09 -0.51 -0.85 0.00 0.00 174.74 173.92 1nxi s LEU 45 N -0.57 0.64 0.25 0.89 1.02 -0.63 -4.09 118.68 116.19 1nxi s LEU 45 Ca 0.10 0.18 0.08 0.00 0.02 0.00 0.00 54.13 54.51 1nxi s LEU 45 Cb -0.12 0.11 -0.04 0.00 0.02 0.00 0.00 46.19 46.17 1nxi s LEU 45 CO 0.02 -0.17 0.11 0.72 0.02 0.00 0.00 176.35 177.05 1nxi s PHE 46 N 1.46 2.95 0.17 0.29 -0.71 -1.25 -1.95 117.98 118.94 1nxi s PHE 46 Ca -0.05 -0.15 0.01 0.00 -1.04 0.00 0.00 56.93 55.70 1nxi s PHE 46 Cb -0.12 -1.33 -0.04 0.00 -1.21 0.00 0.00 43.02 40.32 1nxi s PHE 46 CO -0.04 0.56 0.04 0.00 -1.34 0.00 0.00 175.22 174.43 1nxi s ALA 47 N -2.18 1.20 -0.06 1.99 0.00 -1.03 -3.36 121.76 118.31 1nxi s ALA 47 Ca 0.32 -1.58 0.15 0.00 0.00 0.00 0.00 51.96 50.85 1nxi s ALA 47 Cb -0.07 0.76 -0.23 0.00 0.00 0.00 0.00 23.12 23.57 1nxi s ALA 47 CO 0.23 -0.41 0.26 0.39 0.00 0.00 0.00 175.76 176.22 1nxi n GLU 48 N -0.21 0.84 -3.96 0.00 1.02 -1.26 -4.07 120.64 113.00 1nxi n GLU 48 Ca -0.05 -0.10 -0.34 0.00 -0.02 0.00 0.00 57.16 56.64 1nxi n GLU 48 Cb 0.64 -1.39 -0.14 0.00 -0.02 0.00 0.00 31.44 30.53 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 -4.20 4.22 0.38 1.62 1.11 -1.26 -4.97 116.67 113.57 1nxi s ASP 49 Ca -0.06 -0.77 0.21 0.00 0.18 0.00 0.00 52.55 52.11 1nxi s ASP 49 Cb 0.08 -1.66 1.24 0.00 1.07 0.00 0.00 42.92 43.65 1nxi s ASP 49 CO 0.66 -0.10 1.65 2.19 1.18 0.00 0.00 175.17 180.75 1nxi h PHE 50 N 8.03 0.75 0.00 4.23 -0.00 -2.00 -1.29 116.94 126.66 1nxi h PHE 50 Ca -0.35 0.03 0.00 0.00 -0.00 0.00 0.00 57.97 57.65 1nxi h PHE 50 Cb 1.12 -0.19 0.00 0.00 -0.00 0.00 0.00 35.95 36.88 1nxi h PHE 50 CO 0.57 -0.20 0.00 -0.25 -0.00 0.00 0.00 178.31 178.43 1nxi n ASP 51 N -4.92 0.00 -0.50 -0.68 9.92 -1.26 -2.15 116.55 116.97 1nxi n ASP 51 Ca 0.34 0.80 0.40 0.00 -0.53 0.00 0.00 54.79 55.80 1nxi n ASP 51 Cb 1.16 -0.37 0.64 0.00 -0.64 0.00 0.00 41.12 41.91 1nxi n ASP 51 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1nxi n LYS 52 N -1.62 -0.02 -0.20 -1.24 3.00 -0.75 0.28 118.16 117.61 1nxi n LYS 52 Ca 0.00 1.03 -0.08 0.00 -0.00 0.00 0.00 58.31 59.25 1nxi n LYS 52 Cb 0.00 -2.16 0.02 0.00 0.00 0.00 0.00 35.03 32.89 1nxi n LYS 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1nxi h LEU 53 N 0.00 0.85 -1.28 3.14 6.46 -0.91 -1.05 115.31 122.52 1nxi h LEU 53 Ca 0.79 -0.24 -0.06 0.00 -0.12 0.00 0.00 57.88 58.25 1nxi h LEU 53 Cb 2.80 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 42.50 1nxi h LEU 53 CO -0.24 0.86 -0.28 -0.08 -0.62 0.00 0.00 178.44 178.09 1nxi h GLU 54 N 0.79 0.00 0.03 1.25 4.81 0.46 -2.02 114.58 119.90 1nxi h GLU 54 Ca 0.17 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1nxi h GLU 54 Cb 0.35 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1nxi h GLU 54 CO 0.00 0.28 -0.01 -0.22 -0.73 0.00 0.00 179.01 178.33 1nxi h LYS 55 N 0.00 -0.04 -0.55 1.92 3.64 -0.88 -2.41 116.57 118.25 1nxi h LYS 55 Ca -0.00 0.00 0.16 0.00 -1.27 0.00 0.00 60.65 59.54 1nxi h LYS 55 Cb 0.68 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 1nxi h LYS 55 CO 0.04 -0.03 0.42 0.00 -2.27 0.00 0.00 179.45 177.61 1nxi h ALA 56 N -1.38 2.46 -0.05 5.00 0.00 -1.30 -0.99 119.26 123.01 1nxi h ALA 56 Ca -0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1nxi h ALA 56 Cb 0.03 0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1nxi h ALA 56 CO 0.01 -0.70 -0.33 0.00 0.00 0.00 0.00 179.25 178.23 1nxi h ALA 57 N 1.68 0.10 -0.04 0.00 0.00 -1.46 -2.78 119.26 116.76 1nxi h ALA 57 Ca 0.26 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1nxi h ALA 57 Cb 1.09 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1nxi h ALA 57 CO -0.00 0.18 0.03 0.28 0.00 0.00 0.00 179.25 179.74 1nxi h VAL 58 N -0.22 0.85 0.18 0.00 2.07 -0.67 -1.76 116.25 116.70 1nxi h VAL 58 Ca -0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1nxi h VAL 58 Cb 1.00 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1nxi h VAL 58 CO 0.07 0.00 -0.09 -0.08 0.02 0.00 0.00 177.57 177.49 1nxi h GLU 59 N 0.00 -0.23 -0.79 1.57 4.57 -1.33 -2.42 114.58 115.94 1nxi h GLU 59 Ca 0.02 0.02 0.11 0.00 -1.18 0.00 0.00 59.36 58.32 1nxi h GLU 59 Cb 0.09 0.05 -0.08 0.00 -0.16 0.00 0.00 28.75 28.66 1nxi h GLU 59 CO -0.00 0.17 0.42 0.00 -1.18 0.00 0.00 179.01 178.43 1nxi h ALA 60 N -0.35 1.13 -0.88 2.92 0.00 -1.20 -0.44 119.26 120.44 1nxi h ALA 60 Ca -0.02 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1nxi h ALA 60 Cb 0.52 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1nxi h ALA 60 CO 0.04 0.00 0.52 0.35 0.00 0.00 0.00 179.25 180.16 1nxi h PHE 61 N 0.69 1.18 0.00 0.00 3.57 -1.37 -0.97 116.94 120.04 1nxi h PHE 61 Ca 0.40 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.86 1nxi h PHE 61 Cb 0.44 -0.38 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 1nxi h PHE 61 CO -0.08 0.79 -0.12 0.87 -2.23 0.00 0.00 178.31 177.53 1nxi h LYS 62 N 1.22 0.00 0.00 1.11 1.79 -0.58 -1.73 116.57 118.38 1nxi h LYS 62 Ca 0.31 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.60 1nxi h LYS 62 Cb -0.03 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.59 1nxi h LYS 62 CO -0.06 0.12 -0.88 0.52 -1.08 0.00 0.00 179.45 178.07 1nxi h MET 63 N 0.00 0.00 0.00 3.15 2.86 -0.48 -3.47 114.93 116.99 1nxi h MET 63 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1nxi h MET 63 Cb 0.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1nxi h MET 63 CO 0.02 0.88 0.00 0.41 1.06 0.00 0.00 176.91 179.28 1nxi n GLY 64 N 1.11 1.08 3.74 8.32 0.00 -0.65 -5.11 105.19 113.68 1nxi n GLY 64 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.47 2.81 -1.24 1.61 0.08 -0.79 -4.88 117.98 115.09 1nxi s PHE 65 Ca 0.00 0.68 -0.16 0.00 0.12 0.00 0.00 56.93 57.57 1nxi s PHE 65 Cb 0.00 -4.07 0.12 0.00 -0.57 0.00 0.00 43.02 38.50 1nxi s PHE 65 CO 0.00 -3.73 1.57 -1.21 -0.10 0.00 0.00 175.22 171.74 1nxi s GLU 66 N -0.05 4.04 0.21 0.44 8.01 0.11 -3.90 118.70 127.56 1nxi s GLU 66 Ca 0.66 -2.30 -0.32 0.00 0.01 0.00 0.00 54.97 53.01 1nxi s GLU 66 Cb -0.48 -5.27 -0.14 0.00 -4.31 0.00 0.00 34.13 23.93 1nxi s GLU 66 CO 0.44 -1.99 1.44 1.55 0.01 0.00 0.00 175.26 176.71 1nxi n VAL 67 N 5.43 0.64 -4.86 2.63 3.14 -1.26 -1.88 118.33 122.17 1nxi n VAL 67 Ca 0.42 -0.16 -0.33 0.00 -2.96 0.00 0.00 64.34 61.31 1nxi n VAL 67 Cb 0.44 -1.44 -0.13 0.00 -1.06 0.00 0.00 33.84 31.65 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 0.36 2.75 0.92 6.55 0.20 1.24 -4.89 118.68 125.80 1nxi s LEU 68 Ca 0.72 -0.21 -0.18 0.00 0.69 0.00 0.00 54.13 55.15 1nxi s LEU 68 Cb -0.68 -1.57 -0.15 0.00 -0.43 0.00 0.00 46.19 43.37 1nxi s LEU 68 CO 0.46 0.32 -0.90 -0.62 -0.29 0.00 0.00 176.35 175.32 1nxi n GLU 69 N 2.49 0.00 -3.35 1.98 4.71 -1.26 -2.27 120.64 122.94 1nxi n GLU 69 Ca -0.17 0.00 -0.22 0.00 -0.01 0.00 0.00 57.16 56.75 1nxi n GLU 69 Cb 0.52 -0.92 0.04 0.00 -1.01 0.00 0.00 31.44 30.07 1nxi n GLU 69 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1nxi s ALA 70 N -1.85 4.63 -0.27 0.62 0.00 -1.26 -4.09 121.76 119.55 1nxi s ALA 70 Ca 0.36 -1.82 -0.01 0.00 0.00 0.00 0.00 51.96 50.49 1nxi s ALA 70 Cb -0.11 -1.18 0.13 0.00 0.00 0.00 0.00 23.12 21.96 1nxi s ALA 70 CO 0.73 -0.74 0.30 -2.00 0.00 0.00 0.00 175.76 174.05 1nxi s GLU 71 N -4.54 0.30 -0.34 0.00 2.12 -1.14 -4.91 118.70 110.19 1nxi s GLU 71 Ca 0.52 0.04 -0.30 0.00 0.36 0.00 0.00 54.97 55.58 1nxi s GLU 71 Cb -0.04 -0.73 -0.13 0.00 0.26 0.00 0.00 34.13 33.48 1nxi s GLU 71 CO 0.33 -0.90 1.45 0.39 -0.54 0.00 0.00 175.26 175.99 1nxi n GLU 72 N 5.32 0.00 -0.28 4.30 1.02 -1.26 -4.47 120.64 125.27 1nxi n GLU 72 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1nxi n GLU 72 Cb 0.48 -1.03 0.00 0.00 -0.02 0.00 0.00 31.44 30.87 1nxi n GLU 72 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1nxi n THR 73 N 4.37 0.00 -5.07 2.62 5.66 -1.06 -4.92 114.28 115.88 1nxi n THR 73 Ca 0.37 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 61.09 1nxi n THR 73 Cb -0.03 -0.03 -0.16 0.00 -1.55 0.00 0.00 70.33 68.56 1nxi n THR 73 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1nxi s GLU 74 N 0.63 1.88 0.00 1.09 2.02 -1.26 -3.10 118.70 119.95 1nxi s GLU 74 Ca 0.00 -0.77 0.00 0.00 0.02 0.00 0.00 54.97 54.22 1nxi s GLU 74 Cb 0.00 -1.75 0.00 0.00 0.10 0.00 0.00 34.13 32.48 1nxi s GLU 74 CO 0.00 0.43 0.00 -3.47 0.02 0.00 0.00 175.26 172.24 1nxi n ASP 75 N 2.68 0.00 -0.00 -0.19 2.03 -1.26 -4.79 116.55 115.01 1nxi n ASP 75 Ca -0.16 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.21 1nxi n ASP 75 Cb 0.52 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.83 1nxi n ASP 75 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1nxi n GLU 76 N 0.00 1.52 -0.03 -0.67 -0.58 -1.26 -4.50 120.64 115.12 1nxi n GLU 76 Ca 0.00 -0.06 0.03 0.00 -0.42 0.00 0.00 57.16 56.70 1nxi n GLU 76 Cb 0.00 -1.22 -0.12 0.00 -0.57 0.00 0.00 31.44 29.53 1nxi n GLU 76 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1nxi n ASP 77 N -1.65 1.46 0.00 1.62 -0.08 -1.26 -5.04 116.55 111.60 1nxi n ASP 77 Ca -0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1nxi n ASP 77 Cb 0.28 1.42 0.00 0.00 2.34 0.00 0.00 41.12 45.16 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 1.79 1.39 0.00 0.27 0.00 -1.26 -5.17 105.19 102.20 1nxi n GLY 78 Ca -0.10 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1nxi n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nxi n ASN 79 N 0.00 0.00 -3.73 1.61 3.02 -1.26 -4.86 115.26 110.03 1nxi n ASN 79 Ca 0.00 -0.06 -0.26 0.00 -0.03 0.00 0.00 54.58 54.24 1nxi n ASN 79 Cb 0.00 0.00 -0.17 0.00 -0.61 0.00 0.00 39.78 39.00 1nxi n ASN 79 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1nxi s LYS 80 N 0.82 0.55 0.06 3.52 1.02 -1.26 -4.01 119.74 120.44 1nxi s LYS 80 Ca 0.00 -0.17 -0.00 0.00 0.02 0.00 0.00 55.97 55.82 1nxi s LYS 80 Cb 0.00 -1.63 -0.04 0.00 -0.52 0.00 0.00 37.83 35.64 1nxi s LYS 80 CO 0.00 -0.51 -0.04 -0.48 -0.92 0.00 0.00 175.35 173.40 1nxi s LEU 81 N 1.94 2.47 -0.13 3.17 2.34 -1.18 -4.97 118.68 122.32 1nxi s LEU 81 Ca 0.02 -0.95 -0.21 0.00 0.06 0.00 0.00 54.13 53.04 1nxi s LEU 81 Cb -0.15 0.13 -0.03 0.00 -0.56 0.00 0.00 46.19 45.57 1nxi s LEU 81 CO -0.07 -0.54 0.63 -0.76 -1.06 0.00 0.00 176.35 174.55 1nxi s LEU 82 N -2.79 4.24 -0.28 1.48 1.02 -1.26 -2.58 118.68 118.52 1nxi s LEU 82 Ca 0.06 0.98 0.02 0.00 0.02 0.00 0.00 54.13 55.21 1nxi s LEU 82 Cb 0.06 -2.93 0.08 0.00 0.02 0.00 0.00 46.19 43.41 1nxi s LEU 82 CO -0.08 -0.15 -0.01 0.00 0.02 0.00 0.00 176.35 176.13 1nxi s PHE 84 N 1.27 3.48 0.31 0.00 -0.71 -0.82 -2.89 117.98 118.63 1nxi s PHE 84 Ca 0.00 0.25 0.05 0.00 -1.04 0.00 0.00 56.93 56.19 1nxi s PHE 84 Cb -0.19 -1.78 -0.06 0.00 -1.21 0.00 0.00 43.02 39.78 1nxi s PHE 84 CO -0.09 0.37 0.01 -0.51 -1.34 0.00 0.00 175.22 173.65 1nxi s ASP 85 N -3.46 2.63 0.02 1.98 1.11 -0.96 -1.61 116.67 116.38 1nxi s ASP 85 Ca 0.37 -1.31 -0.03 0.00 0.18 0.00 0.00 52.55 51.77 1nxi s ASP 85 Cb -0.10 -0.14 -0.01 0.00 1.07 0.00 0.00 42.92 43.73 1nxi s ASP 85 CO 0.30 -0.50 0.04 0.00 1.18 0.00 0.00 175.17 176.19 1nxi s ALA 86 N -3.15 0.01 0.13 5.23 0.00 -0.17 0.38 121.76 124.19 1nxi s ALA 86 Ca 0.34 -0.54 0.05 0.00 0.00 0.00 0.00 51.96 51.81 1nxi s ALA 86 Cb 0.07 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.33 1nxi s ALA 86 CO 0.14 -0.23 -0.12 0.95 0.00 0.00 0.00 175.76 176.50 1nxi s THR 87 N -1.98 1.21 -0.23 0.00 -4.23 -0.79 -0.86 115.64 108.76 1nxi s THR 87 Ca -0.11 -1.85 -0.06 0.00 -1.18 0.00 0.00 61.69 58.50 1nxi s THR 87 Cb -0.05 -1.63 0.11 0.00 1.34 0.00 0.00 72.50 72.27 1nxi s THR 87 CO -0.02 -0.57 0.45 -0.32 -0.54 0.00 0.00 174.62 173.62 1nxi s MET 88 N -3.13 0.38 0.00 3.99 1.75 -0.62 0.09 119.30 121.77 1nxi s MET 88 Ca 0.12 0.97 -0.24 0.00 -1.25 0.00 0.00 55.69 55.28 1nxi s MET 88 Cb -0.02 0.23 -0.05 0.00 2.84 0.00 0.00 34.83 37.83 1nxi s MET 88 CO 0.02 -0.37 0.73 -0.65 -0.65 0.00 0.00 175.02 174.10 1nxi s GLN 89 N 2.65 4.45 0.06 4.11 1.11 -1.26 -2.10 119.66 128.69 1nxi s GLN 89 Ca 0.03 0.97 -0.05 0.00 0.01 0.00 0.00 55.36 56.32 1nxi s GLN 89 Cb -0.13 -3.39 0.02 0.00 -1.01 0.00 0.00 33.01 28.50 1nxi s GLN 89 CO -0.15 0.22 0.24 -1.13 0.01 0.00 0.00 175.29 174.49 1nxi n SER 90 N 3.10 -0.48 -4.62 5.90 3.41 -0.21 -5.00 113.62 115.72 1nxi n SER 90 Ca -0.03 -1.28 -0.40 0.00 -0.26 0.00 0.00 58.87 56.91 1nxi n SER 90 Cb 0.51 0.79 -0.08 0.00 -0.26 0.00 0.00 64.21 65.16 1nxi n SER 90 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nxi s ALA 91 N -1.27 3.58 0.07 7.33 0.00 -1.26 -0.84 121.76 129.38 1nxi s ALA 91 Ca 0.05 -0.65 -0.31 0.00 0.00 0.00 0.00 51.96 51.05 1nxi s ALA 91 Cb -0.01 -2.83 -0.17 0.00 0.00 0.00 0.00 23.12 20.12 1nxi s ALA 91 CO 0.02 -0.69 0.74 -0.11 0.00 0.00 0.00 175.76 175.72 1nxi n LEU 92 N 5.40 -0.47 -3.16 0.00 7.94 -1.26 -4.92 117.00 120.53 1nxi n LEU 92 Ca -0.05 1.01 0.05 0.00 -1.11 0.00 0.00 56.01 55.91 1nxi n LEU 92 Cb 0.50 -0.82 -0.03 0.00 0.53 0.00 0.00 43.42 43.60 1nxi n LEU 92 CO 0.39 -2.09 0.81 -1.81 -1.11 0.00 0.00 177.39 173.58 1nxi s ASP 93 N -0.37 -0.09 0.01 1.96 1.01 -1.26 -5.02 116.67 112.91 1nxi s ASP 93 Ca 0.70 0.07 -0.03 0.00 0.71 0.00 0.00 52.55 54.01 1nxi s ASP 93 Cb -1.00 1.08 -0.01 0.00 1.01 0.00 0.00 42.92 44.00 1nxi s ASP 93 CO 0.50 -0.02 1.05 0.00 0.21 0.00 0.00 175.17 176.92 1nxi h ALA 94 N 7.70 -0.37 -0.99 5.23 0.00 -1.98 0.15 119.26 129.00 1nxi h ALA 94 Ca -0.11 -0.00 0.24 0.00 0.00 0.00 0.00 54.91 55.04 1nxi h ALA 94 Cb 1.16 0.72 -0.19 0.00 0.00 0.00 0.00 17.79 19.48 1nxi h ALA 94 CO -0.14 -0.39 -0.10 1.63 0.00 0.00 0.00 179.25 180.25 1nxi n LYS 95 N -2.93 -0.08 0.25 0.00 5.02 -1.26 -0.14 118.16 119.01 1nxi n LYS 95 Ca -0.00 1.52 -0.16 0.00 -2.02 0.00 0.00 58.31 57.65 1nxi n LYS 95 Cb 0.03 -2.34 -0.08 0.00 -0.02 0.00 0.00 35.03 32.62 1nxi n LYS 95 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1nxi h LEU 96 N 0.00 -0.62 -1.98 -0.35 6.46 -1.49 -1.78 115.31 115.55 1nxi h LEU 96 Ca 0.55 0.04 0.06 0.00 -0.12 0.00 0.00 57.88 58.40 1nxi h LEU 96 Cb 1.01 0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 41.11 1nxi h LEU 96 CO -0.98 -0.40 0.17 0.40 -0.62 0.00 0.00 178.44 177.02 1nxi h ILE 97 N -0.63 0.89 -0.68 4.05 2.04 0.21 -1.03 117.51 122.37 1nxi h ILE 97 Ca -0.05 -0.01 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 1nxi h ILE 97 Cb 0.52 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 1nxi h ILE 97 CO 0.05 0.00 0.27 0.44 0.00 0.00 0.00 178.15 178.92 1nxi h ASP 98 N 0.03 0.93 -0.63 1.72 5.19 0.25 -0.48 116.42 123.44 1nxi h ASP 98 Ca 0.11 -0.17 -0.07 0.00 -0.62 0.00 0.00 57.03 56.28 1nxi h ASP 98 Cb 0.41 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.66 1nxi h ASP 98 CO -0.00 0.85 0.10 -0.33 -3.12 0.00 0.00 179.24 176.74 1nxi h GLU 99 N 0.96 1.04 -0.07 3.56 5.08 -0.71 0.13 114.58 124.57 1nxi h GLU 99 Ca 0.23 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1nxi h GLU 99 Cb 0.21 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1nxi h GLU 99 CO -0.02 0.96 0.02 1.96 -1.00 0.00 0.00 179.01 180.93 1nxi h GLN 100 N 0.95 0.10 0.68 2.33 1.08 -1.13 -1.43 115.11 117.69 1nxi h GLN 100 Ca 0.19 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.33 1nxi h GLN 100 Cb 0.43 -0.01 0.01 0.00 -0.05 0.00 0.00 27.48 27.85 1nxi h GLN 100 CO 0.01 0.28 -0.32 0.28 -0.95 0.00 0.00 178.83 178.13 1nxi h VAL 101 N -0.10 0.00 -1.37 -0.54 2.07 -0.98 -1.47 116.25 113.87 1nxi h VAL 101 Ca 0.02 -0.28 0.40 0.00 0.82 0.00 0.00 66.70 67.67 1nxi h VAL 101 Cb 0.23 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.92 1nxi h VAL 101 CO -0.00 0.00 0.96 -0.08 0.02 0.00 0.00 177.57 178.47 1nxi h GLU 102 N -1.18 0.07 0.33 1.57 4.81 -0.79 0.18 114.58 119.56 1nxi h GLU 102 Ca -0.09 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 1nxi h GLU 102 Cb 0.70 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.06 1nxi h GLU 102 CO 0.15 0.04 -0.16 0.87 -0.73 0.00 0.00 179.01 179.19 1nxi h LYS 103 N 0.07 -0.43 0.00 1.92 1.57 -0.96 -1.64 116.57 117.10 1nxi h LYS 103 Ca 0.69 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.50 1nxi h LYS 103 Cb 2.56 0.10 0.00 0.00 0.08 0.00 0.00 32.23 34.97 1nxi h LYS 103 CO -0.11 -0.29 0.13 -0.07 -0.57 0.00 0.00 179.45 178.54 1nxi h LEU 104 N -1.02 0.00 0.00 2.94 3.38 -0.07 -0.78 115.31 119.76 1nxi h LEU 104 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1nxi h LEU 104 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1nxi h LEU 104 CO 0.08 0.00 -0.03 0.58 0.09 0.00 0.00 178.44 179.15 1nxi h VAL 105 N 0.00 0.00 -0.99 1.22 2.07 -0.61 -1.88 116.25 116.06 1nxi h VAL 105 Ca 0.00 -0.16 0.21 0.00 0.82 0.00 0.00 66.70 67.57 1nxi h VAL 105 Cb 0.26 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.94 1nxi h VAL 105 CO 0.00 0.00 0.62 0.78 0.02 0.00 0.00 177.57 178.99 1nxi h ASN 106 N -0.16 0.60 -0.20 0.57 -0.26 -1.11 0.14 115.58 115.16 1nxi h ASN 106 Ca 0.00 0.08 -0.21 0.00 -0.56 0.00 0.00 56.30 55.61 1nxi h ASN 106 Cb 0.03 -0.02 0.01 0.00 -1.06 0.00 0.00 38.32 37.27 1nxi h ASN 106 CO 0.00 0.19 -0.67 0.25 -1.06 0.00 0.00 177.43 176.14 1nxi h LEU 107 N 0.57 0.96 -0.02 1.61 6.46 -1.30 -0.62 115.31 122.97 1nxi h LEU 107 Ca 0.56 -0.57 0.03 0.00 -0.12 0.00 0.00 57.88 57.78 1nxi h LEU 107 Cb 1.13 -0.28 -0.05 0.00 -0.73 0.00 0.00 40.66 40.73 1nxi h LEU 107 CO -0.31 1.37 -0.29 0.00 -0.62 0.00 0.00 178.44 178.60 1nxi h ALA 108 N 0.62 -0.38 -0.14 1.25 0.00 0.13 -0.95 119.26 119.79 1nxi h ALA 108 Ca -0.02 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1nxi h ALA 108 Cb 1.29 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 19.59 1nxi h ALA 108 CO 0.14 -0.79 -0.52 0.93 0.00 0.00 0.00 179.25 179.02 1nxi h GLU 109 N -0.42 0.38 -0.03 0.00 4.39 -1.45 -1.59 114.58 115.86 1nxi h GLU 109 Ca 0.07 -0.22 0.01 0.00 0.34 0.00 0.00 59.36 59.55 1nxi h GLU 109 Cb 0.52 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1nxi h GLU 109 CO -0.26 0.81 0.06 -0.22 -1.16 0.00 0.00 179.01 178.24 1nxi h LYS 110 N 0.30 0.00 0.00 2.33 3.64 -0.26 -3.31 116.57 119.27 1nxi h LYS 110 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1nxi h LYS 110 Cb 1.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1nxi h LYS 110 CO 0.09 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 178.46 1nxi n PHE 111 N -3.39 0.00 0.00 1.91 3.01 -0.44 -5.05 117.46 113.50 1nxi n PHE 111 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1nxi n PHE 111 Cb 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.61 1nxi n PHE 111 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1nxi n ASP 112 N -1.82 0.00 -4.76 4.37 8.00 -0.66 -5.11 116.55 116.57 1nxi n ASP 112 Ca 0.00 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.17 1nxi n ASP 112 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 1nxi n ASP 112 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1nxi s ILE 113 N 0.00 1.15 -0.25 0.53 -4.36 -0.84 -4.66 121.20 112.77 1nxi s ILE 113 Ca 0.00 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.42 1nxi s ILE 113 Cb 0.00 -2.15 0.06 0.00 1.25 0.00 0.00 42.46 41.61 1nxi s ILE 113 CO 0.00 0.00 -0.11 -0.51 0.24 0.00 0.00 174.94 174.56 1nxi s ILE 114 N -2.88 2.12 -0.15 8.37 1.10 -1.21 -4.26 121.20 124.29 1nxi s ILE 114 Ca 0.05 -1.57 -0.23 0.00 -0.51 0.00 0.00 60.65 58.40 1nxi s ILE 114 Cb 0.02 -2.22 -0.03 0.00 0.15 0.00 0.00 42.46 40.38 1nxi s ILE 114 CO 0.03 0.00 0.69 -0.47 -2.11 0.00 0.00 174.94 173.08 1nxi s TYR 115 N 1.13 3.46 -0.33 3.50 6.14 -1.26 -3.97 117.35 126.01 1nxi s TYR 115 Ca -0.08 1.10 -0.08 0.00 0.64 0.00 0.00 57.07 58.65 1nxi s TYR 115 Cb -0.19 -2.84 0.21 0.00 0.42 0.00 0.00 41.96 39.56 1nxi s TYR 115 CO -0.06 -0.09 1.11 0.34 0.64 0.00 0.00 175.55 177.50 1nxi s ASP 116 N 1.03 -0.23 0.00 4.32 2.15 -1.26 -5.06 116.67 117.63 1nxi s ASP 116 Ca 0.34 -0.25 0.00 0.00 0.43 0.00 0.00 52.55 53.07 1nxi s ASP 116 Cb -0.17 0.30 0.00 0.00 -0.30 0.00 0.00 42.92 42.75 1nxi s ASP 116 CO 0.13 -0.01 0.00 0.61 -0.17 0.00 0.00 175.17 175.73 1nxi n GLY 117 N 2.74 -1.58 3.31 2.66 0.00 -1.26 -4.96 105.19 106.10 1nxi n GLY 117 Ca 0.10 0.75 -0.27 0.00 0.00 0.00 0.00 46.02 46.61 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 2.03 0.26 1.61 1.48 -1.26 -0.51 118.94 122.55 1nxi s TRP 118 Ca 0.00 -0.39 -0.21 0.00 -1.06 0.00 0.00 56.10 54.43 1nxi s TRP 118 Cb 0.00 -1.17 0.04 0.00 -1.16 0.00 0.00 33.47 31.19 1nxi s TRP 118 CO 0.00 0.18 0.82 0.20 -4.06 0.00 0.00 176.95 174.09 1nxi s GLY 119 N -1.55 -0.02 0.32 3.67 0.00 -0.69 -5.03 107.32 104.03 1nxi s GLY 119 Ca 0.10 -0.28 0.05 0.00 0.00 0.00 0.00 44.72 44.58 1nxi s GLY 119 CO 0.03 0.09 0.21 -1.08 0.00 0.00 0.00 173.10 172.36 1nxi s THR 120 N -3.31 0.16 -0.14 0.90 -1.32 -1.26 -0.83 115.64 109.84 1nxi s THR 120 Ca 0.13 -2.00 0.02 0.00 -1.21 0.00 0.00 61.69 58.63 1nxi s THR 120 Cb -0.04 -2.47 0.01 0.00 -1.51 0.00 0.00 72.50 68.48 1nxi s THR 120 CO 0.06 0.00 -0.22 -0.47 -2.21 0.00 0.00 174.62 171.79 1nxi s TYR 121 N -3.52 2.67 0.32 9.09 6.14 -1.17 -4.98 117.35 125.89 1nxi s TYR 121 Ca 0.37 -1.33 -0.28 0.00 0.64 0.00 0.00 57.07 56.46 1nxi s TYR 121 Cb 0.03 -1.81 -0.10 0.00 0.42 0.00 0.00 41.96 40.50 1nxi s TYR 121 CO 0.22 -0.60 1.20 -0.47 0.64 0.00 0.00 175.55 176.54 1nxi s TYR 122 N 0.80 3.26 0.47 4.97 5.04 -1.26 -4.52 117.35 126.11 1nxi s TYR 122 Ca -0.07 1.55 0.02 0.00 -2.44 0.00 0.00 57.07 56.13 1nxi s TYR 122 Cb -0.16 -3.48 -0.02 0.00 0.35 0.00 0.00 41.96 38.65 1nxi s TYR 122 CO -0.02 -1.26 0.03 -2.00 -1.34 0.00 0.00 175.55 170.97 1nxi s GLU 123 N -1.73 2.10 0.00 4.97 2.12 -1.26 -4.85 118.70 120.04 1nxi s GLU 123 Ca 0.48 -2.31 0.00 0.00 0.36 0.00 0.00 54.97 53.50 1nxi s GLU 123 Cb -0.35 -1.33 0.00 0.00 0.26 0.00 0.00 34.13 32.71 1nxi s GLU 123 CO 0.46 -0.34 0.00 0.41 -0.54 0.00 0.00 175.26 175.25 1nxi n GLY 124 N -1.14 0.95 3.66 -1.50 0.00 -1.26 -4.83 105.19 101.08 1nxi n GLY 124 Ca -0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 1nxi n GLY 124 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1nxi s LEU 125 N 0.00 4.19 0.04 0.99 0.05 -1.26 -4.91 118.68 117.78 1nxi s LEU 125 Ca 0.00 1.72 -0.24 0.00 0.05 0.00 0.00 54.13 55.67 1nxi s LEU 125 Cb 0.00 -3.54 -0.16 0.00 -2.05 0.00 0.00 46.19 40.44 1nxi s LEU 125 CO 0.00 -0.75 1.49 -0.33 -0.55 0.00 0.00 176.35 176.21 1nxi h GLU 126 N 8.19 0.07 -5.41 1.48 4.39 -1.97 -3.47 114.58 117.86 1nxi h GLU 126 Ca -0.28 -0.02 -0.28 0.00 0.34 0.00 0.00 59.36 59.12 1nxi h GLU 126 Cb 1.11 -0.01 0.17 0.00 -0.10 0.00 0.00 28.75 29.93 1nxi h GLU 126 CO 0.96 0.32 -0.77 1.58 -1.16 0.00 0.00 179.01 179.94 1nxi n HIS 127 N -4.91 -2.20 0.00 4.33 -0.00 -1.26 -4.84 115.22 106.34 1nxi n HIS 127 Ca -0.07 0.86 0.00 0.00 -0.00 0.00 0.00 57.72 58.51 1nxi n HIS 127 Cb 0.16 -4.54 0.00 0.00 -0.00 0.00 0.00 29.99 25.61 1nxi n HIS 127 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1nxi n HIS 128 N -3.61 -0.40 -3.03 1.57 -0.00 -1.26 -5.14 115.22 103.36 1nxi n HIS 128 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.54 1nxi n HIS 128 Cb 0.64 0.08 0.00 0.00 -0.00 0.00 0.00 29.99 30.71 1nxi n HIS 128 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 1nxi n HIS 129 N -1.66 -0.16 -2.53 1.57 1.44 -1.26 -5.01 115.22 107.61 1nxi n HIS 129 Ca 0.00 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.67 1nxi n HIS 129 Cb 0.00 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.08 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 -0.05 -4.66 0.05 -1.40 -0.00 -1.26 -5.03 115.22 102.87 1nxi n HIS 130 Ca 0.00 2.73 0.00 0.00 -0.00 0.00 0.00 57.72 60.45 1nxi n HIS 130 Cb 0.00 -3.93 0.00 0.00 -0.00 0.00 0.00 29.99 26.06 1nxi n HIS 130 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 1nxi n HIS 131 N 1.77 -0.55 1.84 1.57 1.44 -1.26 -5.07 115.22 114.96 1nxi n HIS 131 Ca -0.30 0.10 0.15 0.00 -2.01 0.00 0.00 57.72 55.66 1nxi n HIS 131 Cb 0.47 0.19 0.81 0.00 0.12 0.00 0.00 29.99 31.58 1nxi n HIS 131 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11