#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 -0.29 -2.75 6.12 7.64 -1.26 -5.13 113.62 117.96 1nxi n SER 2 Ca 0.00 -2.83 -0.11 0.00 1.01 0.00 0.00 58.87 56.94 1nxi n SER 2 Cb 0.00 0.31 0.08 0.00 -1.01 0.00 0.00 64.21 63.59 1nxi n SER 2 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1nxi n HIS 3 N -0.11 -3.77 -4.24 1.43 -0.00 -1.26 -5.08 115.22 102.18 1nxi n HIS 3 Ca 0.07 -0.40 -0.22 0.00 -0.00 0.00 0.00 57.72 57.17 1nxi n HIS 3 Cb 0.78 -0.38 -0.12 0.00 -0.00 0.00 0.00 29.99 30.27 1nxi n HIS 3 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.34 177.48 1nxi s GLN 4 N -4.00 1.01 -0.43 -0.41 -2.07 -1.26 -5.08 119.66 107.43 1nxi s GLN 4 Ca 0.27 -1.09 0.04 0.00 -1.82 0.00 0.00 55.36 52.75 1nxi s GLN 4 Cb -0.01 -1.18 0.27 0.00 -1.09 0.00 0.00 33.01 31.00 1nxi s GLN 4 CO 0.19 0.27 1.06 -0.40 -1.32 0.00 0.00 175.29 175.09 1nxi n ASP 5 N 1.14 -2.27 -3.94 12.60 5.68 -1.26 -4.99 116.55 123.52 1nxi n ASP 5 Ca -0.20 -2.86 -0.30 0.00 -0.50 0.00 0.00 54.79 50.93 1nxi n ASP 5 Cb 0.54 1.51 -0.00 0.00 -1.14 0.00 0.00 41.12 42.02 1nxi n ASP 5 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1nxi n ASP 6 N 1.32 -2.14 -3.97 -1.12 9.92 -1.26 -4.53 116.55 114.78 1nxi n ASP 6 Ca 0.05 -0.89 -0.55 0.00 -0.53 0.00 0.00 54.79 52.87 1nxi n ASP 6 Cb 0.67 -1.07 -0.08 0.00 -0.64 0.00 0.00 41.12 40.00 1nxi n ASP 6 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nxi n TYR 7 N -3.71 1.21 -4.40 1.24 9.36 -1.26 -4.90 117.16 114.70 1nxi n TYR 7 Ca -0.10 0.95 -0.35 0.00 3.32 0.00 0.00 57.90 61.72 1nxi n TYR 7 Cb 0.40 -1.86 -0.10 0.00 -0.63 0.00 0.00 39.34 37.15 1nxi n TYR 7 CO 0.00 0.00 0.00 -0.48 0.22 0.00 0.00 176.86 176.60 1nxi s LEU 8 N 1.79 3.52 -0.27 2.98 0.05 -1.26 -5.09 118.68 120.39 1nxi s LEU 8 Ca 0.86 0.11 -0.06 0.00 0.05 0.00 0.00 54.13 55.09 1nxi s LEU 8 Cb -1.22 -1.80 0.00 0.00 -2.05 0.00 0.00 46.19 41.13 1nxi s LEU 8 CO 0.63 0.37 0.05 -0.55 -0.55 0.00 0.00 176.35 176.30 1nxi s SER 9 N -0.81 4.94 0.57 1.48 0.15 -1.26 -4.95 113.70 113.81 1nxi s SER 9 Ca 0.12 -0.61 0.31 0.00 0.70 0.00 0.00 55.95 56.47 1nxi s SER 9 Cb -0.11 -1.85 1.44 0.00 -1.71 0.00 0.00 66.02 63.79 1nxi s SER 9 CO 0.02 -0.14 1.82 -0.37 1.20 0.00 0.00 173.24 175.77 1nxi h VAL 10 N 5.83 0.38 0.44 4.45 -1.51 -1.99 -1.83 116.25 122.01 1nxi h VAL 10 Ca -0.34 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.12 1nxi h VAL 10 Cb 1.14 0.51 -0.01 0.00 -2.13 0.00 0.00 31.29 30.79 1nxi h VAL 10 CO 0.60 0.00 -0.40 -0.08 -1.23 0.00 0.00 177.57 176.46 1nxi h GLU 11 N 0.00 -0.80 0.31 5.19 4.81 -1.99 0.07 114.58 122.17 1nxi h GLU 11 Ca 0.35 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.63 1nxi h GLU 11 Cb 1.64 0.18 -0.03 0.00 0.63 0.00 0.00 28.75 31.17 1nxi h GLU 11 CO -0.00 -0.53 -0.42 0.93 -0.73 0.00 0.00 179.01 178.25 1nxi h GLU 12 N -0.83 -0.75 -0.90 1.92 5.08 -1.76 -1.59 114.58 115.75 1nxi h GLU 12 Ca -0.06 0.05 0.25 0.00 -1.00 0.00 0.00 59.36 58.60 1nxi h GLU 12 Cb 0.71 0.17 -0.15 0.00 0.50 0.00 0.00 28.75 29.98 1nxi h GLU 12 CO -0.03 -0.50 0.19 -0.07 -1.00 0.00 0.00 179.01 177.60 1nxi h LEU 13 N -0.78 -0.12 -1.02 1.33 3.38 -1.44 0.90 115.31 117.56 1nxi h LEU 13 Ca -0.02 0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1nxi h LEU 13 Cb 0.73 0.32 -0.04 0.00 0.09 0.00 0.00 40.66 41.76 1nxi h LEU 13 CO -0.13 -0.22 0.50 0.40 0.09 0.00 0.00 178.44 179.08 1nxi h ILE 14 N 0.14 1.24 0.61 1.22 2.04 -0.05 -1.11 117.51 121.59 1nxi h ILE 14 Ca 0.57 -0.56 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 1nxi h ILE 14 Cb 1.18 0.04 0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1nxi h ILE 14 CO -0.73 0.26 -0.29 -0.33 0.00 0.00 0.00 178.15 177.06 1nxi h GLU 15 N 1.20 -0.79 -0.52 2.37 3.07 0.16 -0.26 114.58 119.82 1nxi h GLU 15 Ca 0.31 0.05 0.15 0.00 -0.50 0.00 0.00 59.36 59.37 1nxi h GLU 15 Cb -0.02 0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 28.05 1nxi h GLU 15 CO -0.06 -0.48 0.39 0.82 -1.40 0.00 0.00 179.01 178.28 1nxi h ILE 16 N -0.97 0.68 -0.07 3.13 1.08 -1.10 0.95 117.51 121.22 1nxi h ILE 16 Ca -0.08 0.00 -0.22 0.00 -0.39 0.00 0.00 64.86 64.17 1nxi h ILE 16 Cb 0.67 0.73 0.01 0.00 -3.07 0.00 0.00 36.82 35.15 1nxi h ILE 16 CO 0.14 0.00 -0.84 -0.61 -0.69 0.00 0.00 178.15 176.14 1nxi h GLN 17 N 0.00 0.56 -0.60 2.37 4.15 -0.69 -1.92 115.11 118.97 1nxi h GLN 17 Ca 0.24 -0.51 -0.06 0.00 0.77 0.00 0.00 58.65 59.10 1nxi h GLN 17 Cb 1.02 0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.80 1nxi h GLN 17 CO -0.00 1.14 0.15 0.87 -1.93 0.00 0.00 178.83 179.05 1nxi h LYS 18 N 0.36 0.94 -0.13 1.69 1.57 0.97 -0.01 116.57 121.96 1nxi h LYS 18 Ca -0.06 -0.20 -0.11 0.00 -1.87 0.00 0.00 60.65 58.40 1nxi h LYS 18 Cb 1.46 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.64 1nxi h LYS 18 CO 0.16 0.83 -0.36 0.93 -0.57 0.00 0.00 179.45 180.44 1nxi h GLU 19 N 0.90 0.47 0.51 3.15 5.08 -1.37 -2.69 114.58 120.63 1nxi h GLU 19 Ca 0.19 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 1nxi h GLU 19 Cb 0.32 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1nxi h GLU 19 CO -0.00 0.95 -0.24 1.49 -1.00 0.00 0.00 179.01 180.20 1nxi h GLU 20 N 0.06 -0.66 -0.32 2.33 4.57 -1.13 -1.62 114.58 117.81 1nxi h GLU 20 Ca -0.01 0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.27 1nxi h GLU 20 Cb 0.97 0.15 -0.08 0.00 -0.16 0.00 0.00 28.75 29.63 1nxi h GLU 20 CO 0.08 -0.43 -0.46 1.15 -1.18 0.00 0.00 179.01 178.17 1nxi h THR 21 N -0.70 0.09 -1.01 0.32 2.02 -1.07 0.39 112.91 112.96 1nxi h THR 21 Ca -0.07 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.34 1nxi h THR 21 Cb 0.53 0.09 -0.10 0.00 -1.74 0.00 0.00 68.15 66.93 1nxi h THR 21 CO 0.11 0.00 0.63 -0.09 0.37 0.00 0.00 175.52 176.54 1nxi h ARG 22 N -0.40 0.54 -0.53 6.66 2.43 -1.34 0.29 114.38 122.04 1nxi h ARG 22 Ca 0.11 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.17 1nxi h ARG 22 Cb 0.61 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 1nxi h ARG 22 CO -0.53 0.36 0.03 0.22 -1.51 0.00 0.00 179.97 178.54 1nxi h ASP 23 N 0.55 0.88 0.25 -3.80 3.58 0.69 -2.36 116.42 116.22 1nxi h ASP 23 Ca 0.59 -0.29 -0.01 0.00 0.42 0.00 0.00 57.03 57.74 1nxi h ASP 23 Cb 1.22 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 42.04 1nxi h ASP 23 CO -0.36 0.96 -0.12 0.40 -2.88 0.00 0.00 179.24 177.24 1nxi h ILE 24 N 0.78 0.00 -1.12 2.25 2.04 0.14 -2.20 117.51 119.41 1nxi h ILE 24 Ca 0.15 -0.39 0.43 0.00 1.00 0.00 0.00 64.86 66.05 1nxi h ILE 24 Cb 0.49 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.41 1nxi h ILE 24 CO 0.02 0.00 0.66 -0.38 0.00 0.00 0.00 178.15 178.45 1nxi n ILE 25 N -4.01 -0.34 0.14 -0.67 2.08 0.53 0.43 119.36 117.52 1nxi n ILE 25 Ca -0.04 1.87 -0.12 0.00 0.56 0.00 0.00 62.75 65.02 1nxi n ILE 25 Cb 0.13 -3.05 -0.08 0.00 -0.75 0.00 0.00 39.64 35.89 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 -0.46 0.38 1.08 -1.41 -1.84 115.11 112.49 1nxi h GLN 26 Ca 0.83 0.03 0.09 0.00 -1.45 0.00 0.00 58.65 58.15 1nxi h GLN 26 Cb 2.41 0.09 -0.08 0.00 -0.05 0.00 0.00 27.48 29.85 1nxi h GLN 26 CO -0.62 -0.04 -0.00 0.00 -0.95 0.00 0.00 178.83 177.21 1nxi h ALA 27 N -0.33 0.43 0.13 3.87 0.00 0.64 -0.02 119.26 123.97 1nxi h ALA 27 Ca -0.04 0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1nxi h ALA 27 Cb 0.51 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1nxi h ALA 27 CO 0.07 -0.39 -0.27 -0.07 0.00 0.00 0.00 179.25 178.59 1nxi h LEU 28 N 0.11 -0.75 -2.44 0.00 3.38 -0.94 0.18 115.31 114.85 1nxi h LEU 28 Ca 0.23 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1nxi h LEU 28 Cb 0.34 0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1nxi h LEU 28 CO -0.38 -0.36 0.09 -0.07 0.09 0.00 0.00 178.44 177.81 1nxi h LEU 29 N -0.48 0.00 0.04 1.67 4.07 -0.52 4.63 115.31 124.72 1nxi h LEU 29 Ca 0.03 0.00 -0.24 0.00 0.08 0.00 0.00 57.88 57.74 1nxi h LEU 29 Cb 0.50 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.22 1nxi h LEU 29 CO -0.15 0.00 -1.20 -0.08 -1.08 0.00 0.00 178.44 175.94 1nxi h GLU 30 N 0.00 0.08 0.00 1.13 4.81 0.12 -3.37 114.58 117.36 1nxi h GLU 30 Ca 0.00 -0.14 -0.17 0.00 -0.13 0.00 0.00 59.36 58.92 1nxi h GLU 30 Cb 0.19 0.05 -0.34 0.00 0.63 0.00 0.00 28.75 29.28 1nxi h GLU 30 CO 0.00 0.99 -0.91 -0.25 -0.73 0.00 0.00 179.01 178.11 1nxi n ASP 31 N -3.36 0.66 -1.73 1.04 9.92 0.13 -4.89 116.55 118.32 1nxi n ASP 31 Ca -0.06 -2.00 -0.01 0.00 -0.53 0.00 0.00 54.79 52.20 1nxi n ASP 31 Cb 0.98 -0.20 0.03 0.00 -0.64 0.00 0.00 41.12 41.30 1nxi n ASP 31 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1nxi n GLY 32 N 0.41 -0.01 0.00 0.44 0.00 1.50 -4.96 105.19 102.57 1nxi n GLY 32 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1nxi n GLY 32 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nxi n SER 33 N -0.45 0.00 -3.72 1.61 7.64 -0.93 -4.41 113.62 113.36 1nxi n SER 33 Ca -0.06 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.60 1nxi n SER 33 Cb 0.60 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.83 1nxi n SER 33 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1nxi n ASP 34 N 0.00 -1.48 0.00 6.43 8.00 -1.26 -4.82 116.55 123.42 1nxi n ASP 34 Ca 0.00 -0.82 0.08 0.00 0.71 0.00 0.00 54.79 54.76 1nxi n ASP 34 Cb 0.00 -4.04 0.44 0.00 -0.02 0.00 0.00 41.12 37.50 1nxi n ASP 34 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1nxi n PRO 35 N -4.31 0.38 0.09 -0.24 -0.04 -1.26 -2.39 135.00 127.22 1nxi n PRO 35 Ca -0.27 0.06 0.12 0.00 -0.04 0.00 0.00 63.50 63.37 1nxi n PRO 35 Cb 0.67 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.73 1nxi n PRO 35 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1nxi h ASP 36 N 0.00 0.00 0.00 3.54 5.19 -1.97 -3.39 116.42 119.79 1nxi h ASP 36 Ca 0.00 -0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.30 1nxi h ASP 36 Cb 0.07 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.58 1nxi h ASP 36 CO 0.00 0.06 0.00 0.00 -3.12 0.00 0.00 179.24 176.18 1nxi n ALA 37 N -1.99 0.00 0.00 3.45 0.00 -1.01 -5.07 120.51 115.90 1nxi n ALA 37 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1nxi n ALA 37 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 -0.28 0.00 -4.10 0.00 4.77 -1.26 -4.98 117.00 111.15 1nxi n LEU 38 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1nxi n LEU 38 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1nxi n LEU 38 CO 0.00 0.00 -0.37 -0.31 -1.33 0.00 0.00 177.39 175.38 1nxi s TYR 39 N -2.00 0.63 -0.21 -1.77 1.51 -0.50 -4.96 117.35 110.04 1nxi s TYR 39 Ca 0.00 -0.90 0.01 0.00 -1.01 0.00 0.00 57.07 55.17 1nxi s TYR 39 Cb 0.00 -0.41 0.03 0.00 -0.11 0.00 0.00 41.96 41.47 1nxi s TYR 39 CO 0.00 -0.25 -0.16 -1.21 -1.11 0.00 0.00 175.55 172.82 1nxi s GLU 40 N -3.38 2.71 0.08 -0.62 8.01 -1.26 -0.81 118.70 123.42 1nxi s GLU 40 Ca 0.04 -1.03 -0.24 0.00 0.01 0.00 0.00 54.97 53.76 1nxi s GLU 40 Cb 0.03 -2.72 -0.06 0.00 -4.31 0.00 0.00 34.13 27.07 1nxi s GLU 40 CO -0.06 -0.35 0.72 0.42 0.01 0.00 0.00 175.26 176.00 1nxi s ILE 41 N 1.23 4.65 -0.16 -1.63 1.09 -1.01 -4.32 121.20 121.04 1nxi s ILE 41 Ca -0.00 1.55 -0.01 0.00 -1.10 0.00 0.00 60.65 61.08 1nxi s ILE 41 Cb -0.16 -4.07 -0.01 0.00 -1.06 0.00 0.00 42.46 37.16 1nxi s ILE 41 CO -0.09 0.44 -0.10 -1.61 -0.10 0.00 0.00 174.94 173.48 1nxi s GLU 42 N -0.52 3.38 -0.12 2.79 2.02 -0.66 -1.15 118.70 124.45 1nxi s GLU 42 Ca 0.36 -0.66 0.02 0.00 0.02 0.00 0.00 54.97 54.70 1nxi s GLU 42 Cb -0.21 -2.76 -0.01 0.00 0.10 0.00 0.00 34.13 31.26 1nxi s GLU 42 CO 0.23 0.07 -0.19 -1.01 0.02 0.00 0.00 175.26 174.37 1nxi s HIS 43 N 0.74 2.68 -0.12 1.61 3.76 0.34 -1.22 115.29 123.08 1nxi s HIS 43 Ca -0.04 -0.89 -0.02 0.00 -0.15 0.00 0.00 55.06 53.96 1nxi s HIS 43 Cb -0.15 -1.77 -0.03 0.00 1.11 0.00 0.00 32.58 31.74 1nxi s HIS 43 CO 0.02 -0.34 -0.04 -1.01 -0.85 0.00 0.00 174.74 172.52 1nxi s HIS 44 N 0.37 3.02 0.01 1.40 0.09 0.11 -0.47 115.29 119.82 1nxi s HIS 44 Ca -0.15 -0.15 0.01 0.00 -0.00 0.00 0.00 55.06 54.77 1nxi s HIS 44 Cb -0.17 -1.87 -0.01 0.00 -0.00 0.00 0.00 32.58 30.54 1nxi s HIS 44 CO 0.07 0.13 -0.05 -0.51 -0.00 0.00 0.00 174.74 174.38 1nxi s LEU 45 N -0.13 2.08 0.24 0.89 1.02 -0.74 -4.15 118.68 117.89 1nxi s LEU 45 Ca 0.02 -0.20 0.12 0.00 0.02 0.00 0.00 54.13 54.09 1nxi s LEU 45 Cb -0.13 -0.17 -0.05 0.00 0.02 0.00 0.00 46.19 45.87 1nxi s LEU 45 CO 0.03 -0.03 -0.20 0.72 0.02 0.00 0.00 176.35 176.88 1nxi s PHE 46 N -0.47 2.33 0.27 0.29 -0.71 -1.22 -1.58 117.98 116.90 1nxi s PHE 46 Ca -0.02 -0.33 0.02 0.00 -1.04 0.00 0.00 56.93 55.56 1nxi s PHE 46 Cb -0.04 -1.07 -0.04 0.00 -1.21 0.00 0.00 43.02 40.67 1nxi s PHE 46 CO -0.00 0.63 0.18 0.00 -1.34 0.00 0.00 175.22 174.69 1nxi s ALA 47 N -2.17 1.59 -0.09 1.99 0.00 -0.99 -3.05 121.76 119.03 1nxi s ALA 47 Ca 0.27 -1.83 0.09 0.00 0.00 0.00 0.00 51.96 50.49 1nxi s ALA 47 Cb -0.06 1.34 -0.13 0.00 0.00 0.00 0.00 23.12 24.27 1nxi s ALA 47 CO 0.13 -0.58 0.06 0.39 0.00 0.00 0.00 175.76 175.76 1nxi n GLU 48 N -0.46 2.13 -5.17 0.00 1.02 -1.26 -3.92 120.64 112.99 1nxi n GLU 48 Ca 0.03 -0.01 -0.32 0.00 -0.02 0.00 0.00 57.16 56.84 1nxi n GLU 48 Cb 0.65 -1.26 -0.16 0.00 -0.02 0.00 0.00 31.44 30.64 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 -4.16 3.27 0.58 1.62 -1.08 -1.26 -4.97 116.67 110.66 1nxi s ASP 49 Ca -0.05 -0.47 0.30 0.00 -0.52 0.00 0.00 52.55 51.80 1nxi s ASP 49 Cb 0.03 -1.07 1.79 0.00 -1.46 0.00 0.00 42.92 42.22 1nxi s ASP 49 CO 0.42 0.22 2.23 2.19 0.52 0.00 0.00 175.17 180.76 1nxi h PHE 50 N 6.23 0.00 0.00 -5.34 -5.15 -1.98 -1.96 116.94 108.74 1nxi h PHE 50 Ca -0.29 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.48 1nxi h PHE 50 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.36 1nxi h PHE 50 CO 0.45 0.02 0.00 -3.47 -2.00 0.00 0.00 178.31 173.31 1nxi n ASP 51 N -3.79 0.00 0.21 -0.68 2.03 -1.26 -0.94 116.55 112.11 1nxi n ASP 51 Ca -0.03 0.80 0.17 0.00 0.52 0.00 0.00 54.79 56.25 1nxi n ASP 51 Cb 0.10 -0.30 0.83 0.00 -0.72 0.00 0.00 41.12 41.04 1nxi n ASP 51 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1nxi h LYS 52 N 0.00 0.00 0.31 -0.67 2.10 -1.99 -1.86 116.57 114.47 1nxi h LYS 52 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 1nxi h LYS 52 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1nxi h LYS 52 CO 0.00 0.00 -0.15 1.25 -2.00 0.00 0.00 179.45 178.55 1nxi h LEU 53 N 0.00 -0.36 -1.77 7.07 6.46 -1.11 -0.66 115.31 124.94 1nxi h LEU 53 Ca 0.09 -0.12 -0.03 0.00 -0.12 0.00 0.00 57.88 57.69 1nxi h LEU 53 Cb 0.50 0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 40.52 1nxi h LEU 53 CO -0.00 -0.08 -0.15 -0.33 -0.62 0.00 0.00 178.44 177.26 1nxi h GLU 54 N -0.63 0.00 0.13 1.25 4.39 -0.27 -1.54 114.58 117.91 1nxi h GLU 54 Ca -0.04 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 1nxi h GLU 54 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1nxi h GLU 54 CO 0.07 0.15 -0.06 0.87 -1.16 0.00 0.00 179.01 178.88 1nxi h LYS 55 N 0.00 -0.17 -0.65 2.33 1.79 -1.00 -0.59 116.57 118.28 1nxi h LYS 55 Ca -0.00 0.01 0.14 0.00 -2.18 0.00 0.00 60.65 58.62 1nxi h LYS 55 Cb 0.30 0.04 -0.11 0.00 -1.58 0.00 0.00 32.23 30.88 1nxi h LYS 55 CO 0.02 -0.11 -0.01 0.00 -1.08 0.00 0.00 179.45 178.27 1nxi h ALA 56 N -1.83 0.64 0.27 3.86 0.00 -1.11 0.12 119.26 121.20 1nxi h ALA 56 Ca -0.02 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1nxi h ALA 56 Cb 0.14 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1nxi h ALA 56 CO 0.03 -0.40 -0.41 0.00 0.00 0.00 0.00 179.25 178.47 1nxi h ALA 57 N 1.60 -1.00 -1.02 0.00 0.00 -1.32 0.64 119.26 118.16 1nxi h ALA 57 Ca 0.34 -0.12 0.25 0.00 0.00 0.00 0.00 54.91 55.38 1nxi h ALA 57 Cb 0.57 0.71 -0.09 0.00 0.00 0.00 0.00 17.79 18.97 1nxi h ALA 57 CO -0.57 -1.06 0.65 0.28 0.00 0.00 0.00 179.25 178.56 1nxi h VAL 58 N -0.71 0.55 0.17 0.00 2.07 -0.17 0.18 116.25 118.34 1nxi h VAL 58 Ca -0.03 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1nxi h VAL 58 Cb 0.65 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1nxi h VAL 58 CO -0.13 0.08 -0.08 -0.33 0.02 0.00 0.00 177.57 177.13 1nxi h GLU 59 N 0.43 -0.22 -0.43 1.57 3.07 0.91 -1.74 114.58 118.17 1nxi h GLU 59 Ca 0.58 0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 59.44 1nxi h GLU 59 Cb 1.41 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 29.35 1nxi h GLU 59 CO -0.30 -0.08 0.20 0.00 -1.40 0.00 0.00 179.01 177.43 1nxi h ALA 60 N 0.49 0.55 -0.91 3.43 0.00 0.12 -1.86 119.26 121.09 1nxi h ALA 60 Ca -0.02 -0.12 0.20 0.00 0.00 0.00 0.00 54.91 54.97 1nxi h ALA 60 Cb 0.25 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 1nxi h ALA 60 CO 0.04 0.12 0.60 0.35 0.00 0.00 0.00 179.25 180.35 1nxi h PHE 61 N 0.55 0.62 0.16 0.00 3.57 -0.57 -1.57 116.94 119.70 1nxi h PHE 61 Ca 0.15 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 1nxi h PHE 61 Cb 0.13 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.68 1nxi h PHE 61 CO -0.01 0.17 -0.08 -0.22 -2.23 0.00 0.00 178.31 175.94 1nxi h LYS 62 N 0.47 -0.21 -0.87 1.11 3.64 -0.54 -3.23 116.57 116.94 1nxi h LYS 62 Ca 0.48 0.01 0.19 0.00 -1.27 0.00 0.00 60.65 60.06 1nxi h LYS 62 Cb 1.10 0.05 -0.16 0.00 -0.41 0.00 0.00 32.23 32.80 1nxi h LYS 62 CO -0.20 0.21 -0.16 0.52 -2.27 0.00 0.00 179.45 177.56 1nxi h MET 63 N -0.78 0.01 0.00 1.90 2.86 -0.66 -3.43 114.93 114.82 1nxi h MET 63 Ca -0.02 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1nxi h MET 63 Cb 0.52 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 1nxi h MET 63 CO 0.04 0.01 0.00 0.41 1.06 0.00 0.00 176.91 178.43 1nxi n GLY 64 N -1.54 0.00 3.74 8.32 0.00 -0.89 -5.13 105.19 109.70 1nxi n GLY 64 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 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 3.03 -1.16 1.61 0.40 -1.02 -4.84 117.98 116.01 1nxi s PHE 65 Ca 0.00 -0.05 -0.08 0.00 -0.60 0.00 0.00 56.93 56.19 1nxi s PHE 65 Cb 0.00 -1.47 0.24 0.00 0.51 0.00 0.00 43.02 42.30 1nxi s PHE 65 CO 0.00 0.52 1.47 0.39 0.70 0.00 0.00 175.22 178.29 1nxi n GLU 66 N -0.17 3.82 -1.47 0.44 -0.58 0.16 -4.36 120.64 118.48 1nxi n GLU 66 Ca -0.09 -4.16 -0.42 0.00 -0.42 0.00 0.00 57.16 52.07 1nxi n GLU 66 Cb 0.54 -2.72 0.00 0.00 -0.57 0.00 0.00 31.44 28.70 1nxi n GLU 66 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1nxi n VAL 67 N 2.78 1.81 -4.67 2.62 3.14 -1.26 -2.43 118.33 120.31 1nxi n VAL 67 Ca 0.31 -0.50 -0.24 0.00 -2.96 0.00 0.00 64.34 60.95 1nxi n VAL 67 Cb 0.37 -0.56 -0.16 0.00 -1.06 0.00 0.00 33.84 32.43 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 1.66 1.88 0.98 6.55 2.96 0.40 -4.88 118.68 128.24 1nxi s LEU 68 Ca 0.63 -0.29 -0.18 0.00 -0.22 0.00 0.00 54.13 54.07 1nxi s LEU 68 Cb -0.63 -0.81 -0.15 0.00 0.50 0.00 0.00 46.19 45.10 1nxi s LEU 68 CO 0.58 0.13 -0.91 1.21 -1.32 0.00 0.00 176.35 176.04 1nxi n GLU 69 N 3.14 0.00 -3.45 1.98 2.13 -1.26 -2.13 120.64 121.04 1nxi n GLU 69 Ca -0.18 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.42 1nxi n GLU 69 Cb 0.54 -0.98 0.02 0.00 0.27 0.00 0.00 31.44 31.28 1nxi n GLU 69 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1nxi s ALA 70 N -1.96 4.50 -0.10 4.31 0.00 -1.26 -3.90 121.76 123.35 1nxi s ALA 70 Ca 0.39 -1.72 -0.01 0.00 0.00 0.00 0.00 51.96 50.62 1nxi s ALA 70 Cb -0.13 -1.11 0.03 0.00 0.00 0.00 0.00 23.12 21.91 1nxi s ALA 70 CO 0.79 -0.57 -0.06 -2.00 0.00 0.00 0.00 175.76 173.92 1nxi s GLU 71 N -4.42 1.28 -0.82 0.00 2.12 -1.13 -4.87 118.70 110.86 1nxi s GLU 71 Ca 0.48 -0.16 -0.25 0.00 0.36 0.00 0.00 54.97 55.40 1nxi s GLU 71 Cb -0.04 -1.41 -0.16 0.00 0.26 0.00 0.00 34.13 32.78 1nxi s GLU 71 CO 0.30 -0.26 2.38 -0.85 -0.54 0.00 0.00 175.26 176.28 1nxi n GLU 72 N 4.94 0.49 0.00 4.30 0.28 -1.26 -4.01 120.64 125.38 1nxi n GLU 72 Ca -0.12 -0.87 0.00 0.00 -0.16 0.00 0.00 57.16 56.02 1nxi n GLU 72 Cb 0.50 -3.57 0.00 0.00 1.43 0.00 0.00 31.44 29.80 1nxi n GLU 72 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 1nxi n THR 73 N 8.64 0.00 -3.60 3.84 5.66 -1.20 -4.90 114.28 122.71 1nxi n THR 73 Ca 0.48 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 61.37 1nxi n THR 73 Cb 0.42 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.14 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 4.98 0.59 0.00 1.09 -1.05 -1.26 -3.17 118.70 119.88 1nxi s GLU 74 Ca 0.00 0.37 -0.05 0.00 -0.15 0.00 0.00 54.97 55.14 1nxi s GLU 74 Cb 0.00 0.28 -0.24 0.00 -0.44 0.00 0.00 34.13 33.74 1nxi s GLU 74 CO 0.00 -0.14 3.37 -0.40 0.95 0.00 0.00 175.26 179.04 1nxi n ASP 75 N 1.42 5.06 -0.38 0.83 5.75 -1.26 -4.61 116.55 123.36 1nxi n ASP 75 Ca -0.12 -2.44 -0.03 0.00 -0.01 0.00 0.00 54.79 52.20 1nxi n ASP 75 Cb 0.57 -1.34 -0.01 0.00 -1.03 0.00 0.00 41.12 39.30 1nxi n ASP 75 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1nxi n GLU 76 N 2.43 -1.76 0.00 0.11 4.71 -1.26 -4.59 120.64 120.27 1nxi n GLU 76 Ca 0.38 0.33 0.05 0.00 -0.01 0.00 0.00 57.16 57.90 1nxi n GLU 76 Cb 0.85 -3.96 0.02 0.00 -1.01 0.00 0.00 31.44 27.33 1nxi n GLU 76 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1nxi n ASP 77 N 0.81 1.41 -0.82 1.62 -0.08 -1.26 -4.99 116.55 113.24 1nxi n ASP 77 Ca -0.03 -1.20 -0.01 0.00 -1.51 0.00 0.00 54.79 52.04 1nxi n ASP 77 Cb 0.25 0.27 0.00 0.00 2.34 0.00 0.00 41.12 43.99 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 0.71 0.72 2.70 0.27 0.00 -1.26 -5.03 105.19 103.29 1nxi n GLY 78 Ca 0.04 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 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 -3.03 3.68 -0.42 1.61 0.01 -1.26 -5.04 114.94 110.49 1nxi s ASN 79 Ca 0.02 -2.38 -0.43 0.00 -0.71 0.00 0.00 52.86 49.36 1nxi s ASN 79 Cb -0.01 -0.95 -0.17 0.00 0.41 0.00 0.00 41.25 40.52 1nxi s ASN 79 CO 0.04 -0.30 1.83 0.29 -1.51 0.00 0.00 177.10 177.44 1nxi n LYS 80 N 3.86 0.48 -4.13 -0.60 5.02 -1.26 -4.32 118.16 117.20 1nxi n LYS 80 Ca 0.07 0.16 -0.15 0.00 -2.02 0.00 0.00 58.31 56.37 1nxi n LYS 80 Cb 0.36 -1.79 -0.14 0.00 -0.02 0.00 0.00 35.03 33.44 1nxi n LYS 80 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1nxi s LEU 81 N 4.31 2.05 0.00 -0.35 0.05 -1.19 -5.00 118.68 118.55 1nxi s LEU 81 Ca 1.07 -0.17 -0.29 0.00 0.05 0.00 0.00 54.13 54.79 1nxi s LEU 81 Cb -1.30 -0.24 -0.04 0.00 -2.05 0.00 0.00 46.19 42.57 1nxi s LEU 81 CO 0.70 0.01 0.93 -0.76 -0.55 0.00 0.00 176.35 176.68 1nxi s LEU 82 N -0.38 4.38 -0.33 1.48 1.02 -1.25 -3.27 118.68 120.33 1nxi s LEU 82 Ca -0.00 1.59 0.03 0.00 0.02 0.00 0.00 54.13 55.77 1nxi s LEU 82 Cb -0.03 -3.48 0.10 0.00 0.02 0.00 0.00 46.19 42.79 1nxi s LEU 82 CO -0.00 -0.20 0.05 0.00 0.02 0.00 0.00 176.35 176.22 1nxi s PHE 84 N 1.11 3.54 0.32 0.00 -0.71 -0.61 -2.85 117.98 118.78 1nxi s PHE 84 Ca 0.09 0.90 0.08 0.00 -1.04 0.00 0.00 56.93 56.96 1nxi s PHE 84 Cb -0.19 -2.25 -0.03 0.00 -1.21 0.00 0.00 43.02 39.34 1nxi s PHE 84 CO -0.12 0.41 0.24 -0.51 -1.34 0.00 0.00 175.22 173.89 1nxi s ASP 85 N -1.96 5.17 -0.06 1.98 1.01 -0.91 -1.80 116.67 120.10 1nxi s ASP 85 Ca 0.39 -0.53 -0.03 0.00 0.71 0.00 0.00 52.55 53.10 1nxi s ASP 85 Cb -0.13 -0.97 0.04 0.00 1.01 0.00 0.00 42.92 42.86 1nxi s ASP 85 CO 0.20 -0.29 0.13 0.00 0.21 0.00 0.00 175.17 175.42 1nxi s ALA 86 N -2.31 -0.20 -0.08 5.23 0.00 0.38 0.15 121.76 124.93 1nxi s ALA 86 Ca 0.39 0.61 -0.01 0.00 0.00 0.00 0.00 51.96 52.95 1nxi s ALA 86 Cb -0.05 -0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.56 1nxi s ALA 86 CO 0.25 -0.21 -0.03 0.95 0.00 0.00 0.00 175.76 176.73 1nxi s THR 87 N 1.32 4.03 -0.31 0.00 -4.23 -1.02 -0.50 115.64 114.93 1nxi s THR 87 Ca -0.07 -0.35 -0.00 0.00 -1.18 0.00 0.00 61.69 60.08 1nxi s THR 87 Cb -0.12 -2.68 0.10 0.00 1.34 0.00 0.00 72.50 71.14 1nxi s THR 87 CO -0.06 0.60 0.09 -0.32 -0.54 0.00 0.00 174.62 174.39 1nxi s MET 88 N -0.78 0.78 -0.01 3.99 1.75 -0.30 0.36 119.30 125.09 1nxi s MET 88 Ca 0.12 -1.12 -0.30 0.00 -1.25 0.00 0.00 55.69 53.13 1nxi s MET 88 Cb -0.11 -2.09 -0.06 0.00 2.84 0.00 0.00 34.83 35.41 1nxi s MET 88 CO 0.02 -0.97 1.57 -0.65 -0.65 0.00 0.00 175.02 174.34 1nxi s GLN 89 N 1.56 4.21 0.18 4.11 -0.21 -1.26 -2.40 119.66 125.86 1nxi s GLN 89 Ca 0.10 2.15 -0.24 0.00 0.02 0.00 0.00 55.36 57.38 1nxi s GLN 89 Cb -0.17 -3.76 0.06 0.00 1.00 0.00 0.00 33.01 30.13 1nxi s GLN 89 CO -0.23 -0.74 0.92 -1.54 -2.12 0.00 0.00 175.29 171.58 1nxi s SER 90 N 2.65 -0.17 1.38 5.90 1.04 0.01 -4.99 113.70 119.52 1nxi s SER 90 Ca 0.70 -0.48 -0.22 0.00 0.48 0.00 0.00 55.95 56.44 1nxi s SER 90 Cb -0.34 0.54 0.33 0.00 0.10 0.00 0.00 66.02 66.65 1nxi s SER 90 CO 0.29 -1.00 0.87 0.00 0.98 0.00 0.00 173.24 174.38 1nxi n ALA 91 N -0.49 -4.34 -3.58 5.32 0.00 -1.26 -1.41 120.51 114.74 1nxi n ALA 91 Ca -0.06 -1.45 -0.40 0.00 0.00 0.00 0.00 53.44 51.53 1nxi n ALA 91 Cb 0.60 -0.12 -0.09 0.00 0.00 0.00 0.00 19.45 19.85 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 0.00 5.67 -0.21 0.00 2.96 -1.26 -4.57 118.68 121.26 1nxi s LEU 92 Ca 0.63 -2.07 -0.04 0.00 -0.22 0.00 0.00 54.13 52.43 1nxi s LEU 92 Cb -0.10 -1.99 0.08 0.00 0.50 0.00 0.00 46.19 44.69 1nxi s LEU 92 CO 0.52 -0.64 0.15 1.51 -1.32 0.00 0.00 176.35 176.57 1nxi s ASP 93 N 2.34 2.22 0.00 3.68 1.47 -1.26 -4.99 116.67 120.14 1nxi s ASP 93 Ca 0.08 -0.63 0.00 0.00 1.18 0.00 0.00 52.55 53.18 1nxi s ASP 93 Cb -0.24 -0.02 0.00 0.00 -0.34 0.00 0.00 42.92 42.32 1nxi s ASP 93 CO -0.02 -0.36 0.78 0.00 0.68 0.00 0.00 175.17 176.25 1nxi n ALA 94 N 5.29 0.00 -0.27 2.11 0.00 -1.26 -0.93 120.51 125.45 1nxi n ALA 94 Ca -0.06 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.31 1nxi n ALA 94 Cb 0.48 0.39 -0.06 0.00 0.00 0.00 0.00 19.45 20.26 1nxi n ALA 94 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1nxi n LYS 95 N -2.30 -0.28 -0.26 0.00 4.76 -1.26 0.26 118.16 119.08 1nxi n LYS 95 Ca 0.00 0.96 0.06 0.00 -2.87 0.00 0.00 58.31 56.46 1nxi n LYS 95 Cb 0.00 -1.41 0.20 0.00 -1.84 0.00 0.00 35.03 31.97 1nxi n LYS 95 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1nxi h LEU 96 N 0.00 0.13 -2.40 -0.35 5.85 -1.46 1.03 115.31 118.10 1nxi h LEU 96 Ca 0.10 0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.97 1nxi h LEU 96 Cb 0.26 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 1nxi h LEU 96 CO -0.60 0.01 0.06 0.40 -0.34 0.00 0.00 178.44 177.97 1nxi h ILE 97 N 0.33 0.51 -0.08 4.05 2.04 0.53 -1.13 117.51 123.76 1nxi h ILE 97 Ca 0.43 0.00 -0.19 0.00 1.00 0.00 0.00 64.86 66.10 1nxi h ILE 97 Cb 0.72 0.95 0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1nxi h ILE 97 CO -0.48 0.00 -0.69 -0.78 0.00 0.00 0.00 178.15 176.20 1nxi h ASP 98 N 0.00 0.73 -0.67 1.72 3.58 0.23 -0.49 116.42 121.53 1nxi h ASP 98 Ca 0.02 -0.68 -0.06 0.00 0.42 0.00 0.00 57.03 56.74 1nxi h ASP 98 Cb 0.14 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 40.94 1nxi h ASP 98 CO -0.00 1.30 0.20 -0.33 -2.88 0.00 0.00 179.24 177.54 1nxi h GLU 99 N 0.22 1.07 -0.03 0.28 5.08 -0.64 0.67 114.58 121.23 1nxi h GLU 99 Ca -0.06 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.05 1nxi h GLU 99 Cb 1.34 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1nxi h GLU 99 CO 0.14 0.92 -0.06 1.96 -1.00 0.00 0.00 179.01 180.96 1nxi h GLN 100 N 1.03 0.10 -0.19 2.33 4.20 -1.36 -1.74 115.11 119.48 1nxi h GLN 100 Ca 0.22 -0.06 0.03 0.00 0.06 0.00 0.00 58.65 58.90 1nxi h GLN 100 Cb 0.31 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.07 1nxi h GLN 100 CO -0.01 0.65 0.02 0.28 -0.67 0.00 0.00 178.83 179.10 1nxi h VAL 101 N -0.44 0.89 -0.67 -0.54 2.07 -0.95 -0.52 116.25 116.08 1nxi h VAL 101 Ca 0.00 -0.03 0.06 0.00 0.82 0.00 0.00 66.70 67.55 1nxi h VAL 101 Cb 0.65 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 31.16 1nxi h VAL 101 CO 0.01 0.02 0.36 -0.08 0.02 0.00 0.00 177.57 177.90 1nxi h GLU 102 N 0.09 0.65 -0.68 1.57 4.81 -0.89 0.42 114.58 120.54 1nxi h GLU 102 Ca 0.09 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.33 1nxi h GLU 102 Cb 0.10 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.28 1nxi h GLU 102 CO -0.14 0.43 0.39 0.87 -0.73 0.00 0.00 179.01 179.83 1nxi h LYS 103 N 0.67 0.70 0.00 1.92 1.79 -0.40 0.13 116.57 121.38 1nxi h LYS 103 Ca 0.30 -0.04 -0.05 0.00 -2.18 0.00 0.00 60.65 58.68 1nxi h LYS 103 Cb 0.21 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.69 1nxi h LYS 103 CO -0.19 0.47 -0.23 -0.07 -1.08 0.00 0.00 179.45 178.34 1nxi h LEU 104 N 0.73 0.00 0.08 2.94 3.38 0.25 -2.38 115.31 120.30 1nxi h LEU 104 Ca 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 1nxi h LEU 104 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1nxi h LEU 104 CO -0.17 0.23 -0.04 0.58 0.09 0.00 0.00 178.44 179.14 1nxi h VAL 105 N 0.00 0.00 -1.26 1.22 2.07 0.13 -0.14 116.25 118.26 1nxi h VAL 105 Ca -0.00 -0.12 0.39 0.00 0.82 0.00 0.00 66.70 67.80 1nxi h VAL 105 Cb 0.52 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.17 1nxi h VAL 105 CO 0.03 0.00 0.82 0.78 0.02 0.00 0.00 177.57 179.22 1nxi h ASN 106 N -0.22 0.28 0.27 0.57 2.35 -1.20 0.16 115.58 117.79 1nxi h ASN 106 Ca -0.01 0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 1nxi h ASN 106 Cb 0.08 0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.54 1nxi h ASN 106 CO 0.02 -0.11 -0.13 0.25 -1.65 0.00 0.00 177.43 175.81 1nxi h LEU 107 N 0.15 -0.31 -0.70 1.61 5.85 -1.43 -0.82 115.31 119.67 1nxi h LEU 107 Ca 0.76 -0.22 0.12 0.00 0.84 0.00 0.00 57.88 59.38 1nxi h LEU 107 Cb 2.33 0.08 -0.13 0.00 0.37 0.00 0.00 40.66 43.32 1nxi h LEU 107 CO -0.36 0.14 -0.33 0.00 -0.34 0.00 0.00 178.44 177.54 1nxi h ALA 108 N -0.40 0.05 0.00 1.25 0.00 0.12 1.28 119.26 121.56 1nxi h ALA 108 Ca -0.04 0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1nxi h ALA 108 Cb 0.51 0.82 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1nxi h ALA 108 CO 0.06 -0.64 -0.12 0.93 0.00 0.00 0.00 179.25 179.48 1nxi h GLU 109 N -0.11 0.00 -0.28 0.00 4.39 -1.42 -1.94 114.58 115.21 1nxi h GLU 109 Ca 0.27 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.93 1nxi h GLU 109 Cb 0.56 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 1nxi h GLU 109 CO -0.76 0.12 -0.01 -0.22 -1.16 0.00 0.00 179.01 176.98 1nxi h LYS 110 N 0.00 0.43 0.00 2.33 3.64 0.31 -3.38 116.57 119.90 1nxi h LYS 110 Ca -0.00 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1nxi h LYS 110 Cb 0.48 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1nxi h LYS 110 CO 0.02 0.47 0.00 1.19 -2.27 0.00 0.00 179.45 178.85 1nxi n PHE 111 N -4.31 0.00 0.00 1.91 3.72 -0.80 -5.05 117.46 112.94 1nxi n PHE 111 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1nxi n PHE 111 Cb 0.23 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.77 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 -1.75 0.00 -4.80 4.37 9.92 -0.78 -5.11 116.55 118.40 1nxi n ASP 112 Ca 0.00 0.00 -0.32 0.00 -0.53 0.00 0.00 54.79 53.94 1nxi n ASP 112 Cb 0.00 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.43 1nxi n ASP 112 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 1nxi n ILE 113 N 0.00 0.00 -4.30 0.53 -5.35 -0.93 -4.70 119.36 104.61 1nxi n ILE 113 Ca 0.00 -2.41 -0.24 0.00 -0.27 0.00 0.00 62.75 59.83 1nxi n ILE 113 Cb 0.00 0.35 -0.12 0.00 -1.74 0.00 0.00 39.64 38.13 1nxi n ILE 113 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 1nxi s ILE 114 N -2.86 1.79 -0.44 7.28 2.07 -1.17 -4.22 121.20 123.65 1nxi s ILE 114 Ca 0.09 -1.63 0.03 0.00 -1.41 0.00 0.00 60.65 57.73 1nxi s ILE 114 Cb -0.01 -1.65 0.13 0.00 0.13 0.00 0.00 42.46 41.06 1nxi s ILE 114 CO 0.06 -0.08 0.21 -0.47 -1.91 0.00 0.00 174.94 172.74 1nxi s TYR 115 N -1.29 2.62 -0.38 3.50 5.04 -1.26 -3.37 117.35 122.21 1nxi s TYR 115 Ca 0.09 -2.71 0.10 0.00 -2.44 0.00 0.00 57.07 52.10 1nxi s TYR 115 Cb -0.09 -2.35 0.30 0.00 0.35 0.00 0.00 41.96 40.17 1nxi s TYR 115 CO 0.05 -0.80 0.65 -3.47 -1.34 0.00 0.00 175.55 170.64 1nxi n ASP 116 N 3.59 0.39 0.00 4.32 2.03 -1.26 -5.00 116.55 120.62 1nxi n ASP 116 Ca 0.06 -2.89 0.00 0.00 0.52 0.00 0.00 54.79 52.47 1nxi n ASP 116 Cb 0.35 -0.52 0.00 0.00 -0.72 0.00 0.00 41.12 40.24 1nxi n ASP 116 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nxi n GLY 117 N 0.80 -1.87 3.36 0.27 0.00 -1.26 -5.04 105.19 101.46 1nxi n GLY 117 Ca 0.22 1.01 -0.29 0.00 0.00 0.00 0.00 46.02 46.96 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 2.27 -0.02 1.61 1.48 -1.26 -0.71 118.94 122.31 1nxi s TRP 118 Ca 0.00 -0.39 -0.29 0.00 -1.06 0.00 0.00 56.10 54.36 1nxi s TRP 118 Cb 0.00 -1.28 0.08 0.00 -1.16 0.00 0.00 33.47 31.11 1nxi s TRP 118 CO 0.00 0.24 0.73 0.20 -4.06 0.00 0.00 176.95 174.06 1nxi s GLY 119 N -1.72 -0.53 0.10 3.67 0.00 -0.36 -5.00 107.32 103.48 1nxi s GLY 119 Ca 0.13 1.24 0.03 0.00 0.00 0.00 0.00 44.72 46.11 1nxi s GLY 119 CO 0.04 0.76 -0.08 -1.08 0.00 0.00 0.00 173.10 172.74 1nxi s THR 120 N -1.85 0.80 0.15 0.90 -1.32 -1.26 -1.65 115.64 111.41 1nxi s THR 120 Ca -0.06 -1.83 0.05 0.00 -1.21 0.00 0.00 61.69 58.64 1nxi s THR 120 Cb -0.00 -1.57 -0.04 0.00 -1.51 0.00 0.00 72.50 69.38 1nxi s THR 120 CO 0.02 -0.76 -0.11 -0.31 -2.21 0.00 0.00 174.62 171.26 1nxi s TYR 121 N -3.19 1.32 0.64 9.09 2.02 -1.26 -5.03 117.35 120.94 1nxi s TYR 121 Ca 0.10 -0.71 0.00 0.00 -0.37 0.00 0.00 57.07 56.09 1nxi s TYR 121 Cb 0.02 -0.67 0.13 0.00 -0.40 0.00 0.00 41.96 41.04 1nxi s TYR 121 CO -0.03 0.12 0.88 0.98 -1.57 0.00 0.00 175.55 175.93 1nxi n TYR 122 N -0.12 -2.95 -2.19 2.71 9.36 -1.26 -4.64 117.16 118.08 1nxi n TYR 122 Ca -0.11 -1.59 -0.27 0.00 3.32 0.00 0.00 57.90 59.26 1nxi n TYR 122 Cb 0.60 -0.64 0.11 0.00 -0.63 0.00 0.00 39.34 38.78 1nxi n TYR 122 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 1nxi s GLU 123 N -4.79 1.68 -1.13 2.98 2.02 -1.26 -4.35 118.70 113.86 1nxi s GLU 123 Ca 0.59 -0.44 -0.31 0.00 0.02 0.00 0.00 54.97 54.83 1nxi s GLU 123 Cb -0.03 -2.10 0.04 0.00 0.10 0.00 0.00 34.13 32.13 1nxi s GLU 123 CO 0.39 -1.61 0.64 0.41 0.02 0.00 0.00 175.26 175.11 1nxi n GLY 124 N -3.15 -0.85 2.86 -1.39 0.00 -1.26 -4.93 105.19 96.48 1nxi n GLY 124 Ca 0.11 0.35 -0.26 0.00 0.00 0.00 0.00 46.02 46.21 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 -7.13 1.17 -0.18 0.99 0.20 -1.26 -5.01 118.68 107.45 1nxi s LEU 125 Ca 0.42 -0.39 -0.18 0.00 0.69 0.00 0.00 54.13 54.67 1nxi s LEU 125 Cb -0.24 -0.76 -0.21 0.00 -0.43 0.00 0.00 46.19 44.55 1nxi s LEU 125 CO 0.93 -0.17 0.28 -0.33 -0.29 0.00 0.00 176.35 176.77 1nxi h GLU 126 N 8.20 0.08 -1.43 1.98 4.39 -1.96 -3.49 114.58 122.35 1nxi h GLU 126 Ca -0.25 -0.13 0.12 0.00 0.34 0.00 0.00 59.36 59.44 1nxi h GLU 126 Cb 1.12 0.05 -0.25 0.00 -0.10 0.00 0.00 28.75 29.57 1nxi h GLU 126 CO 0.37 1.06 0.28 -1.58 -1.16 0.00 0.00 179.01 177.98 1nxi s HIS 127 N -2.41 -0.68 -0.00 4.33 2.46 -1.26 -5.09 115.29 112.64 1nxi s HIS 127 Ca -0.27 1.28 -0.00 0.00 0.47 0.00 0.00 55.06 56.55 1nxi s HIS 127 Cb 0.06 0.41 -0.00 0.00 -0.13 0.00 0.00 32.58 32.91 1nxi s HIS 127 CO 0.65 -0.34 0.18 1.25 -2.47 0.00 0.00 174.74 174.01 1nxi h HIS 128 N 6.67 -0.01 -4.01 3.88 2.76 -2.03 -3.45 115.15 118.97 1nxi h HIS 128 Ca -0.24 -0.00 -0.54 0.00 -2.20 0.00 0.00 60.37 57.39 1nxi h HIS 128 Cb 1.17 0.00 0.12 0.00 1.55 0.00 0.00 27.41 30.25 1nxi h HIS 128 CO 0.14 -0.00 0.67 -1.01 -1.30 0.00 0.00 177.93 176.43 1nxi s HIS 129 N -1.37 2.41 -0.50 5.26 3.76 -1.26 -4.95 115.29 118.64 1nxi s HIS 129 Ca -0.00 1.30 -0.16 0.00 -0.15 0.00 0.00 55.06 56.05 1nxi s HIS 129 Cb 0.00 -3.88 0.10 0.00 1.11 0.00 0.00 32.58 29.91 1nxi s HIS 129 CO 0.00 -2.91 0.44 -1.01 -0.85 0.00 0.00 174.74 170.41 1nxi s HIS 130 N -1.23 3.25 0.47 1.40 0.09 -1.26 -5.05 115.29 112.96 1nxi s HIS 130 Ca 0.64 -1.10 0.03 0.00 -0.00 0.00 0.00 55.06 54.64 1nxi s HIS 130 Cb -0.43 -3.44 0.03 0.00 -0.00 0.00 0.00 32.58 28.75 1nxi s HIS 130 CO 0.54 -0.89 0.29 1.58 -0.00 0.00 0.00 174.74 176.25 1nxi n HIS 131 N 5.22 -0.36 -0.60 1.40 -0.00 -1.26 -5.28 115.22 114.34 1nxi n HIS 131 Ca -0.13 -2.07 0.00 0.00 -0.00 0.00 0.00 57.72 55.52 1nxi n HIS 131 Cb 0.42 -0.37 0.00 0.00 -0.00 0.00 0.00 29.99 30.04 1nxi n HIS 131 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95