#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 0.00 -4.63 7.83 2.88 -1.26 -5.09 113.62 113.35 1nxi n SER 2 Ca 0.00 -0.05 -0.34 0.00 -1.33 0.00 0.00 58.87 57.15 1nxi n SER 2 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 1nxi n SER 2 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 1nxi s HIS 3 N 1.58 3.07 0.00 0.66 5.65 -1.26 -4.92 115.29 120.08 1nxi s HIS 3 Ca 0.00 0.07 0.00 0.00 0.25 0.00 0.00 55.06 55.38 1nxi s HIS 3 Cb 0.00 -1.79 0.00 0.00 -1.18 0.00 0.00 32.58 29.61 1nxi s HIS 3 CO 0.00 0.35 0.00 0.00 -0.65 0.00 0.00 174.74 174.44 1nxi n GLN 4 N 2.38 0.00 0.00 2.88 10.64 -1.26 -4.81 117.38 127.21 1nxi n GLN 4 Ca -0.18 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 54.99 1nxi n GLN 4 Cb 0.53 -0.01 0.00 0.00 -0.86 0.00 0.00 30.24 29.90 1nxi n GLN 4 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1nxi n ASP 5 N 0.00 0.04 0.00 2.61 -0.08 -1.26 -2.69 116.55 115.17 1nxi n ASP 5 Ca 0.00 -0.28 0.00 0.00 -1.51 0.00 0.00 54.79 53.00 1nxi n ASP 5 Cb 0.03 -0.02 0.00 0.00 2.34 0.00 0.00 41.12 43.47 1nxi n ASP 5 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1nxi n ASP 6 N -0.23 0.00 -3.64 1.67 8.00 -1.26 -4.92 116.55 116.17 1nxi n ASP 6 Ca 0.00 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.09 1nxi n ASP 6 Cb 0.01 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.12 1nxi n ASP 6 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1nxi n TYR 7 N -1.43 2.65 -0.17 1.24 4.01 -1.10 -4.99 117.16 117.37 1nxi n TYR 7 Ca 0.00 -2.69 0.00 0.00 -0.16 0.00 0.00 57.90 55.05 1nxi n TYR 7 Cb 0.00 -1.53 0.00 0.00 -0.31 0.00 0.00 39.34 37.50 1nxi n TYR 7 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1nxi n LEU 8 N 1.19 0.00 -2.89 7.72 4.77 -1.25 -4.90 117.00 121.64 1nxi n LEU 8 Ca 0.50 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.48 1nxi n LEU 8 Cb 0.27 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.37 1nxi n LEU 8 CO 0.64 -0.80 0.30 -0.44 -1.33 0.00 0.00 177.39 175.76 1nxi s SER 9 N -1.69 -0.86 0.44 -1.43 0.01 -1.26 -5.00 113.70 103.91 1nxi s SER 9 Ca 0.00 -0.62 0.20 0.00 1.31 0.00 0.00 55.95 56.84 1nxi s SER 9 Cb 0.00 1.11 1.17 0.00 0.21 0.00 0.00 66.02 68.50 1nxi s SER 9 CO 0.00 -0.07 1.86 -0.37 0.41 0.00 0.00 173.24 175.07 1nxi h VAL 10 N 4.00 0.65 -1.05 3.43 -1.51 -1.99 0.77 116.25 120.54 1nxi h VAL 10 Ca 0.01 -0.11 0.29 0.00 -1.23 0.00 0.00 66.70 65.66 1nxi h VAL 10 Cb 1.19 0.30 -0.12 0.00 -2.13 0.00 0.00 31.29 30.53 1nxi h VAL 10 CO -0.01 0.06 0.65 -0.08 -1.23 0.00 0.00 177.57 176.96 1nxi h GLU 11 N 0.32 0.40 0.11 5.19 4.81 -2.00 -0.86 114.58 122.55 1nxi h GLU 11 Ca 0.46 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.66 1nxi h GLU 11 Cb 1.28 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1nxi h GLU 11 CO -0.15 0.26 -0.05 0.93 -0.73 0.00 0.00 179.01 179.27 1nxi h GLU 12 N 0.41 -0.14 -1.08 1.92 4.39 -1.26 -2.70 114.58 116.11 1nxi h GLU 12 Ca 0.66 0.01 0.40 0.00 0.34 0.00 0.00 59.36 60.76 1nxi h GLU 12 Cb 1.56 0.03 -0.13 0.00 -0.10 0.00 0.00 28.75 30.11 1nxi h GLU 12 CO -0.41 -0.10 0.66 1.28 -1.16 0.00 0.00 179.01 179.29 1nxi n LEU 13 N -3.28 0.23 0.15 1.33 4.77 -0.97 0.59 117.00 119.81 1nxi n LEU 13 Ca -0.02 1.29 -0.12 0.00 -0.03 0.00 0.00 56.01 57.13 1nxi n LEU 13 Cb 0.06 -0.63 -0.07 0.00 -2.33 0.00 0.00 43.42 40.44 1nxi n LEU 13 CO 0.04 -1.42 0.46 0.40 -1.33 0.00 0.00 177.39 175.55 1nxi h ILE 14 N 0.00 0.61 -0.13 -0.08 2.04 -1.21 -2.43 117.51 116.32 1nxi h ILE 14 Ca 0.76 -0.72 0.05 0.00 1.00 0.00 0.00 64.86 65.95 1nxi h ILE 14 Cb 2.29 0.93 -0.06 0.00 -0.74 0.00 0.00 36.82 39.24 1nxi h ILE 14 CO -0.50 0.12 -0.26 -0.08 0.00 0.00 0.00 178.15 177.43 1nxi h GLU 15 N -0.86 -0.32 -0.18 2.37 4.57 0.49 -0.50 114.58 120.16 1nxi h GLU 15 Ca -0.04 0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.20 1nxi h GLU 15 Cb 0.52 0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 29.11 1nxi h GLU 15 CO 0.07 -0.21 -0.50 0.82 -1.18 0.00 0.00 179.01 178.01 1nxi h ILE 16 N -0.33 0.05 -0.25 2.32 2.04 -1.19 -1.76 117.51 118.38 1nxi h ILE 16 Ca 0.10 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.02 1nxi h ILE 16 Cb 0.48 0.05 -0.07 0.00 -0.74 0.00 0.00 36.82 36.54 1nxi h ILE 16 CO -0.32 0.00 -0.25 1.56 0.00 0.00 0.00 178.15 179.14 1nxi h GLN 17 N -0.53 -0.25 -0.97 2.37 7.50 -0.96 0.52 115.11 122.79 1nxi h GLN 17 Ca 0.06 0.02 0.19 0.00 0.50 0.00 0.00 58.65 59.42 1nxi h GLN 17 Cb 0.66 0.06 -0.18 0.00 0.05 0.00 0.00 27.48 28.06 1nxi h GLN 17 CO -0.45 -0.17 -0.24 0.87 -1.50 0.00 0.00 178.83 177.34 1nxi h LYS 18 N -0.26 -0.00 -0.00 1.46 1.57 -0.23 0.20 116.57 119.32 1nxi h LYS 18 Ca 0.14 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1nxi h LYS 18 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1nxi h LYS 18 CO -0.40 -0.00 -0.00 1.49 -0.57 0.00 0.00 179.45 179.97 1nxi h GLU 19 N -0.00 0.00 -0.02 3.15 4.81 -0.79 -2.53 114.58 119.21 1nxi h GLU 19 Ca 0.46 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.71 1nxi h GLU 19 Cb 0.71 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.03 1nxi h GLU 19 CO -1.00 0.62 -0.54 1.49 -0.73 0.00 0.00 179.01 178.86 1nxi h GLU 20 N -0.62 -0.64 0.30 1.92 4.81 0.95 -1.94 114.58 119.36 1nxi h GLU 20 Ca -0.00 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1nxi h GLU 20 Cb 0.62 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.12 1nxi h GLU 20 CO 0.00 -0.42 -0.50 1.15 -0.73 0.00 0.00 179.01 178.50 1nxi h THR 21 N -0.66 0.00 -0.79 0.32 2.02 -0.80 -1.40 112.91 111.59 1nxi h THR 21 Ca 0.01 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.42 1nxi h THR 21 Cb 0.72 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.98 1nxi h THR 21 CO -0.37 0.00 0.05 0.54 0.37 0.00 0.00 175.52 176.12 1nxi n ARG 22 N -5.39 -0.06 -0.25 6.66 5.12 -0.95 0.28 116.66 122.07 1nxi n ARG 22 Ca -0.10 1.18 -0.06 0.00 -1.93 0.00 0.00 57.85 56.94 1nxi n ARG 22 Cb 0.42 -1.90 0.05 0.00 -1.16 0.00 0.00 32.46 29.87 1nxi n ARG 22 CO 0.00 0.00 0.00 0.22 -1.93 0.00 0.00 177.63 175.92 1nxi h ASP 23 N 0.00 0.86 0.21 0.55 3.58 -0.49 -0.88 116.42 120.25 1nxi h ASP 23 Ca 0.50 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.85 1nxi h ASP 23 Cb 1.06 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.90 1nxi h ASP 23 CO -0.74 0.70 -0.10 0.40 -2.88 0.00 0.00 179.24 176.62 1nxi h ILE 24 N 0.94 0.00 -1.40 2.25 2.04 0.45 -1.12 117.51 120.68 1nxi h ILE 24 Ca 0.24 -0.10 0.42 0.00 1.00 0.00 0.00 64.86 66.42 1nxi h ILE 24 Cb 0.03 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.02 1nxi h ILE 24 CO -0.04 0.00 0.95 0.40 0.00 0.00 0.00 178.15 179.46 1nxi h ILE 25 N -0.39 0.22 0.48 -0.67 1.08 -1.16 0.05 117.51 117.13 1nxi h ILE 25 Ca -0.03 -0.03 -0.02 0.00 -0.39 0.00 0.00 64.86 64.39 1nxi h ILE 25 Cb 0.22 0.12 0.00 0.00 -3.07 0.00 0.00 36.82 34.10 1nxi h ILE 25 CO 0.05 0.02 -0.23 1.56 -0.69 0.00 0.00 178.15 178.85 1nxi h GLN 26 N 0.09 -0.62 -0.68 2.37 1.08 -0.99 -0.96 115.11 115.40 1nxi h GLN 26 Ca 0.75 0.04 0.14 0.00 -1.45 0.00 0.00 58.65 58.14 1nxi h GLN 26 Cb 2.62 0.14 -0.13 0.00 -0.05 0.00 0.00 27.48 30.06 1nxi h GLN 26 CO -0.21 -0.42 -0.14 0.00 -0.95 0.00 0.00 178.83 177.11 1nxi h ALA 27 N -1.30 0.49 -0.25 3.87 0.00 0.28 0.49 119.26 122.85 1nxi h ALA 27 Ca -0.07 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1nxi h ALA 27 Cb 0.50 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1nxi h ALA 27 CO 0.11 -0.42 0.00 1.28 0.00 0.00 0.00 179.25 180.22 1nxi n LEU 28 N -5.43 0.00 -0.31 0.00 4.32 -0.47 -1.34 117.00 113.77 1nxi n LEU 28 Ca 0.09 0.96 0.00 0.00 -0.02 0.00 0.00 56.01 57.04 1nxi n LEU 28 Cb 0.36 -0.46 0.05 0.00 -1.62 0.00 0.00 43.42 41.75 1nxi n LEU 28 CO 0.03 -0.46 0.50 0.18 -1.22 0.00 0.00 177.39 176.42 1nxi n LEU 29 N -1.92 -0.49 -0.33 2.23 4.77 -0.37 0.25 117.00 121.14 1nxi n LEU 29 Ca 0.00 1.44 0.07 0.00 -0.03 0.00 0.00 56.01 57.49 1nxi n LEU 29 Cb 0.00 -0.35 0.23 0.00 -2.33 0.00 0.00 43.42 40.97 1nxi n LEU 29 CO 0.00 -1.31 1.17 -0.33 -1.33 0.00 0.00 177.39 175.59 1nxi h GLU 30 N 0.00 0.77 -0.27 3.23 5.08 -0.77 0.31 114.58 122.93 1nxi h GLU 30 Ca 0.31 -0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.70 1nxi h GLU 30 Cb 0.51 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1nxi h GLU 30 CO -0.83 0.51 0.23 0.22 -1.00 0.00 0.00 179.01 178.15 1nxi h ASP 31 N 0.80 0.00 0.00 1.42 1.82 0.46 -3.44 116.42 117.47 1nxi h ASP 31 Ca 0.48 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.12 1nxi h ASP 31 Cb 0.59 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.60 1nxi h ASP 31 CO -0.31 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 177.93 1nxi n GLY 32 N -1.52 1.03 3.63 -0.78 0.00 0.11 -5.07 105.19 102.59 1nxi n GLY 32 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1nxi n GLY 32 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nxi s SER 33 N -0.56 6.50 0.13 1.61 0.15 -1.23 -5.00 113.70 115.30 1nxi s SER 33 Ca 0.00 1.35 0.04 0.00 0.70 0.00 0.00 55.95 58.04 1nxi s SER 33 Cb 0.00 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.74 1nxi s SER 33 CO 0.00 -1.20 0.14 1.51 1.20 0.00 0.00 173.24 174.89 1nxi s ASP 34 N 3.57 5.64 0.63 5.45 -4.77 -1.26 -4.19 116.67 121.75 1nxi s ASP 34 Ca 0.64 -0.05 0.40 0.00 -3.30 0.00 0.00 52.55 50.24 1nxi s ASP 34 Cb -0.20 -1.52 2.16 0.00 -1.09 0.00 0.00 42.92 42.27 1nxi s ASP 34 CO 0.27 0.10 2.29 1.55 0.70 0.00 0.00 175.17 180.08 1nxi h PRO 35 N 2.68 0.00 0.00 2.11 0.13 -1.92 -2.55 132.00 132.45 1nxi h PRO 35 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1nxi h PRO 35 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1nxi h PRO 35 CO 0.65 0.01 0.04 -0.25 -0.23 0.00 0.00 178.00 178.22 1nxi n ASP 36 N -3.23 0.00 -0.86 1.44 9.92 -1.26 0.54 116.55 123.10 1nxi n ASP 36 Ca -0.02 0.22 0.07 0.00 -0.53 0.00 0.00 54.79 54.53 1nxi n ASP 36 Cb 0.11 -0.22 0.22 0.00 -0.64 0.00 0.00 41.12 40.59 1nxi n ASP 36 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nxi n ALA 37 N -1.19 2.65 -1.29 2.24 0.00 -0.96 -5.08 120.51 116.88 1nxi n ALA 37 Ca 0.00 -1.71 0.14 0.00 0.00 0.00 0.00 53.44 51.88 1nxi n ALA 37 Cb 0.04 -0.62 -0.08 0.00 0.00 0.00 0.00 19.45 18.79 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 0.14 -0.85 -3.66 0.00 4.77 0.19 -5.01 117.00 112.58 1nxi n LEU 38 Ca 0.17 1.99 -0.15 0.00 -0.03 0.00 0.00 56.01 57.99 1nxi n LEU 38 Cb 0.69 -2.86 -0.08 0.00 -2.33 0.00 0.00 43.42 38.84 1nxi n LEU 38 CO 0.13 -1.78 0.22 -0.31 -1.33 0.00 0.00 177.39 174.32 1nxi s TYR 39 N -4.45 -0.46 -0.01 -1.77 2.02 0.55 -4.81 117.35 108.43 1nxi s TYR 39 Ca 0.00 0.88 0.02 0.00 -0.37 0.00 0.00 57.07 57.60 1nxi s TYR 39 Cb 0.00 0.24 -0.03 0.00 -0.40 0.00 0.00 41.96 41.76 1nxi s TYR 39 CO 0.00 -0.44 -0.02 -1.83 -1.57 0.00 0.00 175.55 171.69 1nxi s GLU 40 N -0.84 2.74 0.21 -0.62 -1.05 -1.26 -1.35 118.70 116.53 1nxi s GLU 40 Ca -0.09 -0.62 0.08 0.00 -0.15 0.00 0.00 54.97 54.19 1nxi s GLU 40 Cb -0.03 -2.63 -0.05 0.00 -0.44 0.00 0.00 34.13 30.98 1nxi s GLU 40 CO 0.05 0.63 -0.14 0.42 0.95 0.00 0.00 175.26 177.17 1nxi s ILE 41 N -1.03 1.77 -0.04 1.83 1.09 -0.45 -3.84 121.20 120.53 1nxi s ILE 41 Ca 0.18 -2.22 -0.03 0.00 -1.10 0.00 0.00 60.65 57.48 1nxi s ILE 41 Cb -0.11 -2.09 0.02 0.00 -1.06 0.00 0.00 42.46 39.21 1nxi s ILE 41 CO 0.08 -0.56 0.10 -0.70 -0.10 0.00 0.00 174.94 173.77 1nxi s GLU 42 N -3.64 0.09 0.13 2.79 2.12 -0.35 -1.38 118.70 118.45 1nxi s GLU 42 Ca 0.23 0.20 0.09 0.00 0.36 0.00 0.00 54.97 55.85 1nxi s GLU 42 Cb -0.01 -0.03 -0.04 0.00 0.26 0.00 0.00 34.13 34.31 1nxi s GLU 42 CO 0.08 -0.07 -0.16 -1.01 -0.54 0.00 0.00 175.26 173.56 1nxi s HIS 43 N 0.43 2.57 -0.18 5.30 3.76 0.53 -1.98 115.29 125.71 1nxi s HIS 43 Ca -0.03 -0.24 0.00 0.00 -0.15 0.00 0.00 55.06 54.64 1nxi s HIS 43 Cb -0.05 -1.34 0.02 0.00 1.11 0.00 0.00 32.58 32.32 1nxi s HIS 43 CO -0.02 0.41 -0.18 -1.01 -0.85 0.00 0.00 174.74 173.10 1nxi s HIS 44 N -1.25 2.80 -0.01 1.40 0.09 0.44 -1.66 115.29 117.10 1nxi s HIS 44 Ca 0.19 -1.55 0.05 0.00 -0.00 0.00 0.00 55.06 53.75 1nxi s HIS 44 Cb -0.10 -1.94 -0.01 0.00 -0.00 0.00 0.00 32.58 30.53 1nxi s HIS 44 CO 0.11 -0.77 -0.15 -0.51 -0.00 0.00 0.00 174.74 173.42 1nxi s LEU 45 N 1.29 2.04 0.11 0.89 1.02 -1.07 -3.87 118.68 119.10 1nxi s LEU 45 Ca 0.05 -0.29 0.05 0.00 0.02 0.00 0.00 54.13 53.96 1nxi s LEU 45 Cb -0.13 -0.78 -0.04 0.00 0.02 0.00 0.00 46.19 45.26 1nxi s LEU 45 CO -0.11 0.18 -0.12 0.72 0.02 0.00 0.00 176.35 177.03 1nxi s PHE 46 N -0.39 1.26 0.37 0.29 -0.71 -1.25 -1.32 117.98 116.24 1nxi s PHE 46 Ca 0.06 -0.60 0.06 0.00 -1.04 0.00 0.00 56.93 55.40 1nxi s PHE 46 Cb -0.06 -0.67 -0.03 0.00 -1.21 0.00 0.00 43.02 41.06 1nxi s PHE 46 CO -0.00 0.09 0.21 0.00 -1.34 0.00 0.00 175.22 174.18 1nxi s ALA 47 N -2.31 2.39 0.00 1.99 0.00 -0.96 -3.20 121.76 119.67 1nxi s ALA 47 Ca 0.08 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.39 1nxi s ALA 47 Cb -0.04 1.15 0.00 0.00 0.00 0.00 0.00 23.12 24.23 1nxi s ALA 47 CO 0.02 -0.51 0.00 -1.91 0.00 0.00 0.00 175.76 173.35 1nxi n GLU 48 N -0.77 2.91 -3.83 0.00 2.13 -1.26 -3.81 120.64 116.02 1nxi n GLU 48 Ca 0.01 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.47 1nxi n GLU 48 Cb 0.63 -0.76 -0.12 0.00 0.27 0.00 0.00 31.44 31.46 1nxi n GLU 48 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1nxi s ASP 49 N -1.49 5.13 0.25 4.31 2.15 -1.26 -4.96 116.67 120.79 1nxi s ASP 49 Ca 0.00 -1.73 0.05 0.00 0.43 0.00 0.00 52.55 51.30 1nxi s ASP 49 Cb 0.00 -1.79 0.70 0.00 -0.30 0.00 0.00 42.92 41.53 1nxi s ASP 49 CO 0.00 -0.43 1.18 0.33 -0.17 0.00 0.00 175.17 176.08 1nxi n PHE 50 N 4.60 0.59 0.17 -5.34 -0.00 -1.26 0.13 117.46 116.36 1nxi n PHE 50 Ca -0.06 0.90 -0.14 0.00 -0.00 0.00 0.00 57.45 58.15 1nxi n PHE 50 Cb 0.42 -1.13 -0.08 0.00 -0.00 0.00 0.00 39.48 38.69 1nxi n PHE 50 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.76 176.98 1nxi h ASP 51 N 0.00 -0.32 0.37 -2.13 3.58 -1.99 -0.85 116.42 115.08 1nxi h ASP 51 Ca 0.51 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.93 1nxi h ASP 51 Cb 1.15 0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.28 1nxi h ASP 51 CO -0.67 -0.19 0.00 0.50 -2.88 0.00 0.00 179.24 176.00 1nxi h LYS 52 N -0.43 0.00 0.00 0.28 1.63 0.67 -2.00 116.57 116.72 1nxi h LYS 52 Ca -0.04 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1nxi h LYS 52 Cb 0.33 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.96 1nxi h LYS 52 CO 0.06 0.00 -0.00 1.25 -3.45 0.00 0.00 179.45 177.31 1nxi h LEU 53 N 0.00 0.00 -2.61 5.20 6.46 0.38 -2.48 115.31 122.26 1nxi h LEU 53 Ca 0.00 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1nxi h LEU 53 Cb 0.19 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.12 1nxi h LEU 53 CO 0.00 0.50 0.00 -0.33 -0.62 0.00 0.00 178.44 177.99 1nxi h GLU 54 N -1.00 0.00 0.00 1.25 5.08 -1.11 0.89 114.58 119.69 1nxi h GLU 54 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1nxi h GLU 54 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1nxi h GLU 54 CO -0.00 0.00 -0.10 0.87 -1.00 0.00 0.00 179.01 178.78 1nxi h LYS 55 N 0.00 0.00 -0.08 2.33 1.57 -1.43 -2.62 116.57 116.34 1nxi h LYS 55 Ca 0.00 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 1nxi h LYS 55 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1nxi h LYS 55 CO 0.00 1.00 -0.45 0.00 -0.57 0.00 0.00 179.45 179.44 1nxi h ALA 56 N -0.04 1.10 0.56 3.86 0.00 -0.95 -2.56 119.26 121.23 1nxi h ALA 56 Ca -0.03 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 1nxi h ALA 56 Cb 1.03 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.74 1nxi h ALA 56 CO -0.01 0.61 -0.27 0.00 0.00 0.00 0.00 179.25 179.58 1nxi h ALA 57 N 1.38 -0.75 -0.28 0.00 0.00 -0.94 -2.24 119.26 116.43 1nxi h ALA 57 Ca 0.01 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.79 1nxi h ALA 57 Cb 0.86 0.29 -0.08 0.00 0.00 0.00 0.00 17.79 18.86 1nxi h ALA 57 CO 0.07 -0.75 -0.34 0.28 0.00 0.00 0.00 179.25 178.51 1nxi h VAL 58 N -1.09 0.24 -0.84 0.00 2.07 -1.48 0.12 116.25 115.26 1nxi h VAL 58 Ca -0.08 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.65 1nxi h VAL 58 Cb 0.63 0.24 -0.13 0.00 -1.52 0.00 0.00 31.29 30.51 1nxi h VAL 58 CO 0.13 0.00 0.24 -0.33 0.02 0.00 0.00 177.57 177.62 1nxi h GLU 59 N -0.33 0.24 -0.54 1.57 4.39 -1.48 0.98 114.58 119.42 1nxi h GLU 59 Ca 0.13 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.85 1nxi h GLU 59 Cb 0.55 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.12 1nxi h GLU 59 CO -0.46 0.16 0.36 0.00 -1.16 0.00 0.00 179.01 177.91 1nxi h ALA 60 N 1.72 1.71 -0.38 3.43 0.00 -0.15 -1.54 119.26 124.06 1nxi h ALA 60 Ca 0.51 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 55.24 1nxi h ALA 60 Cb 0.98 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1nxi h ALA 60 CO -0.60 0.23 -0.38 0.35 0.00 0.00 0.00 179.25 178.86 1nxi h PHE 61 N 0.64 1.11 -0.65 0.00 3.04 0.18 -2.40 116.94 118.87 1nxi h PHE 61 Ca 0.21 -0.33 0.03 0.00 3.98 0.00 0.00 57.97 61.86 1nxi h PHE 61 Cb 0.06 -0.23 -0.04 0.00 2.56 0.00 0.00 35.95 38.30 1nxi h PHE 61 CO -0.00 1.16 0.43 0.87 -2.02 0.00 0.00 178.31 178.75 1nxi h LYS 62 N 0.75 0.74 0.70 1.11 1.57 -0.18 -2.92 116.57 118.34 1nxi h LYS 62 Ca 0.06 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1nxi h LYS 62 Cb 0.97 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 33.12 1nxi h LYS 62 CO 0.09 0.49 -0.33 0.52 -0.57 0.00 0.00 179.45 179.65 1nxi h MET 63 N 0.76 -0.90 0.00 3.15 2.86 -1.24 -3.47 114.93 116.10 1nxi h MET 63 Ca 0.26 0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.96 1nxi h MET 63 Cb 0.08 0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1nxi h MET 63 CO -0.07 -0.59 0.00 0.41 1.06 0.00 0.00 176.91 177.72 1nxi n GLY 64 N -0.69 -0.03 3.80 8.32 0.00 -1.10 -5.14 105.19 110.35 1nxi n GLY 64 Ca -0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 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 3.69 -1.12 1.61 0.40 -0.92 -4.85 117.98 116.79 1nxi s PHE 65 Ca 0.00 1.02 -0.17 0.00 -0.60 0.00 0.00 56.93 57.18 1nxi s PHE 65 Cb 0.00 -2.40 0.13 0.00 0.51 0.00 0.00 43.02 41.26 1nxi s PHE 65 CO 0.00 0.51 1.39 -2.00 0.70 0.00 0.00 175.22 175.83 1nxi s GLU 66 N -0.65 3.88 0.59 0.44 -6.30 -0.05 -4.04 118.70 112.56 1nxi s GLU 66 Ca 0.25 -2.09 -0.18 0.00 -2.50 0.00 0.00 54.97 50.45 1nxi s GLU 66 Cb -0.17 -5.13 -0.07 0.00 0.00 0.00 0.00 34.13 28.77 1nxi s GLU 66 CO 0.14 -1.89 0.70 1.55 0.02 0.00 0.00 175.26 175.78 1nxi n VAL 67 N 5.40 2.89 -4.66 3.70 3.14 -1.26 -2.30 118.33 125.25 1nxi n VAL 67 Ca 0.34 -0.50 -0.23 0.00 -2.96 0.00 0.00 64.34 61.00 1nxi n VAL 67 Cb 0.46 -0.87 -0.15 0.00 -1.06 0.00 0.00 33.84 32.22 1nxi n VAL 67 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1nxi s LEU 68 N -0.45 2.06 0.34 6.55 1.43 1.32 -4.88 118.68 125.05 1nxi s LEU 68 Ca 0.72 -0.33 -0.24 0.00 -1.03 0.00 0.00 54.13 53.26 1nxi s LEU 68 Cb -0.43 -0.78 -0.16 0.00 0.03 0.00 0.00 46.19 44.85 1nxi s LEU 68 CO 0.51 0.16 0.26 1.21 0.23 0.00 0.00 176.35 178.72 1nxi n GLU 69 N 2.50 0.04 -2.75 1.70 2.13 -1.26 -2.11 120.64 120.89 1nxi n GLU 69 Ca -0.15 0.02 -0.23 0.00 0.66 0.00 0.00 57.16 57.46 1nxi n GLU 69 Cb 0.55 -1.03 0.11 0.00 0.27 0.00 0.00 31.44 31.33 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 -1.45 4.06 -0.21 4.31 0.00 -1.26 -4.27 121.76 122.94 1nxi s ALA 70 Ca 0.61 -1.99 -0.06 0.00 0.00 0.00 0.00 51.96 50.52 1nxi s ALA 70 Cb -0.73 -1.77 0.10 0.00 0.00 0.00 0.00 23.12 20.72 1nxi s ALA 70 CO 0.60 -1.40 0.43 -2.00 0.00 0.00 0.00 175.76 173.39 1nxi s GLU 71 N -5.05 0.35 -0.88 0.00 2.12 -1.18 -4.92 118.70 109.14 1nxi s GLU 71 Ca 0.67 0.95 -0.30 0.00 0.36 0.00 0.00 54.97 56.65 1nxi s GLU 71 Cb -0.04 0.20 -0.19 0.00 0.26 0.00 0.00 34.13 34.36 1nxi s GLU 71 CO 0.44 -0.34 2.63 0.39 -0.54 0.00 0.00 175.26 177.84 1nxi n GLU 72 N 5.39 0.23 -0.01 4.30 1.02 -1.26 -4.32 120.64 125.99 1nxi n GLU 72 Ca -0.07 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 1nxi n GLU 72 Cb 0.50 -1.92 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 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 7.60 0.00 -4.07 2.62 5.66 -1.11 -4.91 114.28 120.07 1nxi n THR 73 Ca 0.60 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 61.46 1nxi n THR 73 Cb 0.14 -0.52 -0.13 0.00 -1.55 0.00 0.00 70.33 68.27 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 2.00 0.35 -0.49 1.09 8.01 -1.26 -3.50 118.70 124.89 1nxi s GLU 74 Ca 0.00 -0.31 0.03 0.00 0.01 0.00 0.00 54.97 54.71 1nxi s GLU 74 Cb 0.00 -0.26 0.43 0.00 -4.31 0.00 0.00 34.13 29.98 1nxi s GLU 74 CO 0.00 0.06 1.43 -3.47 0.01 0.00 0.00 175.26 173.30 1nxi n ASP 75 N 2.55 5.71 0.00 -0.19 -0.08 -1.26 -4.86 116.55 118.43 1nxi n ASP 75 Ca -0.16 -3.76 0.00 0.00 -1.51 0.00 0.00 54.79 49.36 1nxi n ASP 75 Cb 0.58 -0.60 0.00 0.00 2.34 0.00 0.00 41.12 43.43 1nxi n ASP 75 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1nxi n GLU 76 N -0.63 -1.05 0.00 -0.67 1.02 -1.26 -4.61 120.64 113.44 1nxi n GLU 76 Ca 0.47 0.23 0.04 0.00 -0.02 0.00 0.00 57.16 57.88 1nxi n GLU 76 Cb 0.69 -4.40 -0.04 0.00 -0.02 0.00 0.00 31.44 27.67 1nxi n GLU 76 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1nxi n ASP 77 N -0.27 0.53 -2.89 1.62 9.92 -1.26 -5.05 116.55 119.15 1nxi n ASP 77 Ca 0.00 -0.77 -0.09 0.00 -0.53 0.00 0.00 54.79 53.40 1nxi n ASP 77 Cb 0.23 0.92 0.01 0.00 -0.64 0.00 0.00 41.12 41.64 1nxi n ASP 77 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1nxi n GLY 78 N 1.15 -1.82 0.05 0.44 0.00 -1.26 -4.97 105.19 98.78 1nxi n GLY 78 Ca 0.02 1.04 0.00 0.00 0.00 0.00 0.00 46.02 47.08 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 -0.01 0.00 -3.58 1.61 4.13 -1.26 -5.06 115.26 111.09 1nxi n ASN 79 Ca 0.07 -1.04 -0.36 0.00 1.68 0.00 0.00 54.58 54.93 1nxi n ASN 79 Cb 0.38 -0.01 0.03 0.00 -1.54 0.00 0.00 39.78 38.64 1nxi n ASN 79 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1nxi n LYS 80 N 0.00 -1.82 -3.43 3.52 4.01 -1.26 -4.94 118.16 114.24 1nxi n LYS 80 Ca 0.00 1.24 -0.19 0.00 -0.51 0.00 0.00 58.31 58.85 1nxi n LYS 80 Cb 0.51 -2.03 -0.01 0.00 -0.51 0.00 0.00 35.03 32.99 1nxi n LYS 80 CO 0.00 0.00 0.00 -0.48 -1.11 0.00 0.00 177.40 175.81 1nxi s LEU 81 N -3.08 3.81 -0.19 -0.35 2.34 -1.23 -4.92 118.68 115.06 1nxi s LEU 81 Ca 0.29 -0.32 -0.07 0.00 0.06 0.00 0.00 54.13 54.09 1nxi s LEU 81 Cb -0.03 -2.61 -0.04 0.00 -0.56 0.00 0.00 46.19 42.96 1nxi s LEU 81 CO 0.88 -0.50 0.04 -0.76 -1.06 0.00 0.00 176.35 174.95 1nxi s LEU 82 N -4.18 3.62 -0.20 1.48 1.02 -1.25 -2.74 118.68 116.43 1nxi s LEU 82 Ca 0.47 -0.02 0.00 0.00 0.02 0.00 0.00 54.13 54.60 1nxi s LEU 82 Cb -0.09 -1.92 0.05 0.00 0.02 0.00 0.00 46.19 44.25 1nxi s LEU 82 CO 0.31 0.13 -0.07 0.00 0.02 0.00 0.00 176.35 176.73 1nxi s PHE 84 N 1.47 3.48 0.08 0.00 -0.71 -0.43 -3.09 117.98 118.79 1nxi s PHE 84 Ca -0.02 0.36 0.04 0.00 -1.04 0.00 0.00 56.93 56.27 1nxi s PHE 84 Cb -0.17 -1.86 -0.04 0.00 -1.21 0.00 0.00 43.02 39.74 1nxi s PHE 84 CO -0.07 0.37 0.00 -0.51 -1.34 0.00 0.00 175.22 173.67 1nxi s ASP 85 N -3.14 5.06 -0.06 1.98 1.11 -0.90 -2.60 116.67 118.12 1nxi s ASP 85 Ca 0.39 -0.15 0.02 0.00 0.18 0.00 0.00 52.55 52.99 1nxi s ASP 85 Cb -0.11 -1.23 0.02 0.00 1.07 0.00 0.00 42.92 42.67 1nxi s ASP 85 CO 0.29 0.19 -0.09 0.00 1.18 0.00 0.00 175.17 176.74 1nxi s ALA 86 N -1.28 1.05 0.19 5.23 0.00 -0.66 0.40 121.76 126.69 1nxi s ALA 86 Ca 0.25 -0.29 0.07 0.00 0.00 0.00 0.00 51.96 51.99 1nxi s ALA 86 Cb -0.12 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 1nxi s ALA 86 CO 0.17 0.04 0.02 0.95 0.00 0.00 0.00 175.76 176.94 1nxi s THR 87 N 0.82 3.81 -0.19 0.00 -4.23 -0.97 -0.35 115.64 114.52 1nxi s THR 87 Ca -0.12 -1.45 -0.07 0.00 -1.18 0.00 0.00 61.69 58.87 1nxi s THR 87 Cb -0.15 -2.94 0.09 0.00 1.34 0.00 0.00 72.50 70.83 1nxi s THR 87 CO 0.02 -0.16 0.40 -0.32 -0.54 0.00 0.00 174.62 174.02 1nxi s MET 88 N -3.11 0.31 -0.17 3.99 1.75 -0.48 -0.87 119.30 120.72 1nxi s MET 88 Ca 0.29 0.99 -0.16 0.00 -1.25 0.00 0.00 55.69 55.56 1nxi s MET 88 Cb -0.09 0.28 -0.04 0.00 2.84 0.00 0.00 34.83 37.82 1nxi s MET 88 CO 0.20 -0.25 0.40 -0.65 -0.65 0.00 0.00 175.02 174.07 1nxi s GLN 89 N 2.53 4.24 0.27 4.11 -0.21 -1.26 -1.34 119.66 128.00 1nxi s GLN 89 Ca -0.02 0.25 -0.20 0.00 0.02 0.00 0.00 55.36 55.42 1nxi s GLN 89 Cb -0.12 -3.49 0.06 0.00 1.00 0.00 0.00 33.01 30.47 1nxi s GLN 89 CO -0.12 0.07 0.92 0.45 -2.12 0.00 0.00 175.29 174.48 1nxi s SER 90 N 0.82 -0.03 1.11 5.90 0.15 -0.46 -5.01 113.70 116.19 1nxi s SER 90 Ca 0.20 -0.83 -0.17 0.00 0.70 0.00 0.00 55.95 55.85 1nxi s SER 90 Cb -0.14 0.65 0.25 0.00 -1.71 0.00 0.00 66.02 65.06 1nxi s SER 90 CO 0.08 -1.28 1.15 0.00 1.20 0.00 0.00 173.24 174.39 1nxi s ALA 91 N -2.44 1.03 -0.53 5.45 0.00 -1.26 -0.33 121.76 123.68 1nxi s ALA 91 Ca 0.18 -0.88 -0.18 0.00 0.00 0.00 0.00 51.96 51.07 1nxi s ALA 91 Cb -0.04 -2.91 0.08 0.00 0.00 0.00 0.00 23.12 20.25 1nxi s ALA 91 CO 0.07 -3.19 0.60 -1.17 0.00 0.00 0.00 175.76 172.08 1nxi s LEU 92 N -6.62 5.27 -0.11 0.00 2.96 -1.26 -4.59 118.68 114.32 1nxi s LEU 92 Ca 0.70 -1.19 -0.10 0.00 -0.22 0.00 0.00 54.13 53.33 1nxi s LEU 92 Cb -0.10 -2.35 0.03 0.00 0.50 0.00 0.00 46.19 44.27 1nxi s LEU 92 CO 0.55 -0.92 0.30 -0.62 -1.32 0.00 0.00 176.35 174.34 1nxi s ASP 93 N 3.01 -0.31 -0.06 3.68 -1.08 -1.26 -4.53 116.67 116.12 1nxi s ASP 93 Ca 0.11 0.60 -0.23 0.00 -0.52 0.00 0.00 52.55 52.52 1nxi s ASP 93 Cb -0.22 0.59 -0.30 0.00 -1.46 0.00 0.00 42.92 41.53 1nxi s ASP 93 CO 0.09 -0.11 0.88 0.00 0.52 0.00 0.00 175.17 176.55 1nxi h ALA 94 N 5.91 -0.06 -0.37 3.66 0.00 -1.97 -2.69 119.26 123.72 1nxi h ALA 94 Ca -0.28 -0.64 0.08 0.00 0.00 0.00 0.00 54.91 54.06 1nxi h ALA 94 Cb 1.19 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.97 1nxi h ALA 94 CO 0.33 0.29 -0.17 -0.22 0.00 0.00 0.00 179.25 179.48 1nxi h LYS 95 N -0.49 -0.10 0.21 0.00 3.64 -1.99 0.19 116.57 118.03 1nxi h LYS 95 Ca -0.11 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1nxi h LYS 95 Cb 1.48 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.33 1nxi h LYS 95 CO 0.12 -0.07 -0.10 1.25 -2.27 0.00 0.00 179.45 178.38 1nxi h LEU 96 N -0.10 -0.24 -1.99 5.20 5.85 -2.00 -2.07 115.31 119.96 1nxi h LEU 96 Ca 0.19 -0.11 0.22 0.00 0.84 0.00 0.00 57.88 59.02 1nxi h LEU 96 Cb 0.39 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 1nxi h LEU 96 CO -0.44 -0.04 0.57 0.40 -0.34 0.00 0.00 178.44 178.59 1nxi h ILE 97 N -0.43 0.58 -0.20 4.05 2.04 -1.04 0.14 117.51 122.65 1nxi h ILE 97 Ca -0.03 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.75 1nxi h ILE 97 Cb 0.33 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1nxi h ILE 97 CO 0.05 0.00 -0.20 -0.78 0.00 0.00 0.00 178.15 177.22 1nxi h ASP 98 N 0.00 0.51 -0.41 1.72 3.58 0.04 -0.92 116.42 120.94 1nxi h ASP 98 Ca 0.37 -0.48 -0.15 0.00 0.42 0.00 0.00 57.03 57.19 1nxi h ASP 98 Cb 1.50 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 42.40 1nxi h ASP 98 CO -0.00 0.89 -0.32 -0.33 -2.88 0.00 0.00 179.24 176.60 1nxi h GLU 99 N 0.15 0.94 0.21 0.28 4.39 -0.44 -0.96 114.58 119.15 1nxi h GLU 99 Ca 0.03 -0.46 -0.01 0.00 0.34 0.00 0.00 59.36 59.26 1nxi h GLU 99 Cb 0.74 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 1nxi h GLU 99 CO 0.05 1.12 -0.10 1.96 -1.16 0.00 0.00 179.01 180.88 1nxi h GLN 100 N 0.76 -0.28 -0.10 2.33 1.08 -0.86 0.10 115.11 118.14 1nxi h GLN 100 Ca 0.08 0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.30 1nxi h GLN 100 Cb 0.91 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.39 1nxi h GLN 100 CO 0.08 -0.12 0.04 0.28 -0.95 0.00 0.00 178.83 178.16 1nxi h VAL 101 N -0.36 0.99 -0.14 -0.54 2.07 -1.15 -0.14 116.25 116.98 1nxi h VAL 101 Ca -0.03 -0.03 0.04 0.00 0.82 0.00 0.00 66.70 67.50 1nxi h VAL 101 Cb 0.28 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1nxi h VAL 101 CO 0.05 0.02 0.16 -0.08 0.02 0.00 0.00 177.57 177.73 1nxi h GLU 102 N 0.10 0.00 0.09 1.57 4.81 -1.02 0.69 114.58 120.83 1nxi h GLU 102 Ca 0.04 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1nxi h GLU 102 Cb 0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1nxi h GLU 102 CO -0.04 0.00 -0.05 -0.22 -0.73 0.00 0.00 179.01 177.98 1nxi h LYS 103 N 0.00 -0.12 0.00 1.92 3.64 0.87 -2.44 116.57 120.44 1nxi h LYS 103 Ca 0.06 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.38 1nxi h LYS 103 Cb 0.38 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1nxi h LYS 103 CO -0.00 0.38 -0.33 -0.07 -2.27 0.00 0.00 179.45 177.16 1nxi h LEU 104 N -0.72 0.00 0.23 5.20 3.38 -0.64 -2.42 115.31 120.34 1nxi h LEU 104 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1nxi h LEU 104 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1nxi h LEU 104 CO 0.02 0.33 -0.11 0.58 0.09 0.00 0.00 178.44 179.35 1nxi h VAL 105 N 0.00 0.84 -0.95 1.22 2.07 -0.88 0.13 116.25 118.67 1nxi h VAL 105 Ca -0.00 -0.47 0.02 0.00 0.82 0.00 0.00 66.70 67.07 1nxi h VAL 105 Cb 0.58 1.11 -0.05 0.00 -1.52 0.00 0.00 31.29 31.41 1nxi h VAL 105 CO 0.04 0.10 0.63 0.78 0.02 0.00 0.00 177.57 179.14 1nxi h ASN 106 N -0.55 1.06 -0.57 0.57 2.35 -1.33 -1.88 115.58 115.24 1nxi h ASN 106 Ca -0.03 -0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.59 1nxi h ASN 106 Cb 0.41 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 1nxi h ASN 106 CO 0.05 0.75 -0.06 0.25 -1.65 0.00 0.00 177.43 176.77 1nxi h LEU 107 N 1.25 1.04 0.59 1.61 6.46 -1.29 0.65 115.31 125.60 1nxi h LEU 107 Ca 0.37 -0.32 -0.03 0.00 -0.12 0.00 0.00 57.88 57.78 1nxi h LEU 107 Cb -0.07 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 39.59 1nxi h LEU 107 CO -0.10 1.11 -0.32 0.00 -0.62 0.00 0.00 178.44 178.51 1nxi h ALA 108 N 0.98 -1.19 -0.15 1.25 0.00 0.02 -1.81 119.26 118.36 1nxi h ALA 108 Ca 0.16 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1nxi h ALA 108 Cb 0.62 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1nxi h ALA 108 CO 0.04 -1.15 0.10 1.49 0.00 0.00 0.00 179.25 179.73 1nxi h GLU 109 N -0.84 0.10 -0.33 0.00 4.57 -1.43 -0.32 114.58 116.33 1nxi h GLU 109 Ca -0.08 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1nxi h GLU 109 Cb 0.66 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.21 1nxi h GLU 109 CO 0.11 0.07 0.22 -0.22 -1.18 0.00 0.00 179.01 178.00 1nxi h LYS 110 N 0.10 0.43 0.00 1.92 3.64 -0.40 -3.35 116.57 118.91 1nxi h LYS 110 Ca 0.06 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1nxi h LYS 110 Cb 0.12 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1nxi h LYS 110 CO -0.01 0.28 0.00 1.19 -2.27 0.00 0.00 179.45 178.64 1nxi n PHE 111 N -4.49 0.00 0.00 1.91 3.72 -0.21 -5.04 117.46 113.35 1nxi n PHE 111 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1nxi n PHE 111 Cb 0.07 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 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 -1.56 0.00 -4.51 4.37 8.00 -0.70 -5.11 116.55 117.05 1nxi n ASP 112 Ca 0.00 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.19 1nxi n ASP 112 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.03 1nxi n ASP 112 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1nxi n ILE 113 N 0.00 0.00 -4.12 0.53 -5.35 -1.13 -4.69 119.36 104.60 1nxi n ILE 113 Ca 0.00 -2.48 -0.31 0.00 -0.27 0.00 0.00 62.75 59.70 1nxi n ILE 113 Cb 0.00 0.62 -0.16 0.00 -1.74 0.00 0.00 39.64 38.36 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 -2.97 1.73 -0.41 7.28 1.10 -1.19 -4.23 121.20 122.50 1nxi s ILE 114 Ca 0.07 -0.74 -0.14 0.00 -0.51 0.00 0.00 60.65 59.33 1nxi s ILE 114 Cb 0.00 -1.59 0.03 0.00 0.15 0.00 0.00 42.46 41.05 1nxi s ILE 114 CO 0.05 0.48 0.29 -0.47 -2.11 0.00 0.00 174.94 173.18 1nxi s TYR 115 N 1.35 3.24 -0.44 3.50 5.04 -1.26 -3.77 117.35 125.01 1nxi s TYR 115 Ca 0.03 -0.72 0.07 0.00 -2.44 0.00 0.00 57.07 54.02 1nxi s TYR 115 Cb -0.13 -2.61 0.18 0.00 0.35 0.00 0.00 41.96 39.75 1nxi s TYR 115 CO -0.10 -0.62 0.68 0.34 -1.34 0.00 0.00 175.55 174.50 1nxi s ASP 116 N 1.73 -1.47 0.00 4.32 -1.08 -1.25 -5.02 116.67 113.90 1nxi s ASP 116 Ca 0.04 -1.07 0.00 0.00 -0.52 0.00 0.00 52.55 51.00 1nxi s ASP 116 Cb -0.20 1.89 0.00 0.00 -1.46 0.00 0.00 42.92 43.16 1nxi s ASP 116 CO 0.09 -0.13 0.00 0.61 0.52 0.00 0.00 175.17 176.26 1nxi n GLY 117 N 3.90 -1.69 3.39 2.66 0.00 -1.26 -4.93 105.19 107.25 1nxi n GLY 117 Ca 0.13 0.77 -0.22 0.00 0.00 0.00 0.00 46.02 46.70 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 1.96 -0.01 1.61 1.48 -1.26 -0.42 118.94 122.29 1nxi s TRP 118 Ca 0.00 -0.46 -0.29 0.00 -1.06 0.00 0.00 56.10 54.30 1nxi s TRP 118 Cb 0.00 -0.91 0.10 0.00 -1.16 0.00 0.00 33.47 31.50 1nxi s TRP 118 CO 0.00 0.48 1.28 0.20 -4.06 0.00 0.00 176.95 174.85 1nxi s GLY 119 N -3.19 -0.18 0.06 3.67 0.00 -0.84 -5.02 107.32 101.83 1nxi s GLY 119 Ca 0.23 0.16 -0.07 0.00 0.00 0.00 0.00 44.72 45.05 1nxi s GLY 119 CO 0.10 4.38 0.13 -1.08 0.00 0.00 0.00 173.10 176.63 1nxi s THR 120 N -2.10 0.15 -0.12 0.90 -1.32 -1.26 -1.21 115.64 110.67 1nxi s THR 120 Ca 0.26 -1.22 -0.17 0.00 -1.21 0.00 0.00 61.69 59.35 1nxi s THR 120 Cb 0.01 -1.20 -0.04 0.00 -1.51 0.00 0.00 72.50 69.75 1nxi s THR 120 CO -0.01 -0.67 0.43 -0.31 -2.21 0.00 0.00 174.62 171.84 1nxi s TYR 121 N -3.38 3.52 0.35 9.09 1.51 -1.25 -5.04 117.35 122.16 1nxi s TYR 121 Ca 0.01 0.83 -0.23 0.00 -1.01 0.00 0.00 57.07 56.68 1nxi s TYR 121 Cb 0.03 -2.48 -0.10 0.00 -0.11 0.00 0.00 41.96 39.30 1nxi s TYR 121 CO -0.08 0.23 0.91 -0.47 -1.11 0.00 0.00 175.55 175.03 1nxi s TYR 122 N 0.42 3.53 0.76 2.71 5.04 -1.26 -4.74 117.35 123.81 1nxi s TYR 122 Ca 0.23 1.64 -0.13 0.00 -2.44 0.00 0.00 57.07 56.38 1nxi s TYR 122 Cb -0.15 -2.84 0.19 0.00 0.35 0.00 0.00 41.96 39.51 1nxi s TYR 122 CO 0.09 0.10 0.63 0.39 -1.34 0.00 0.00 175.55 175.42 1nxi n GLU 123 N 0.08 -2.52 -1.97 4.97 1.02 -1.26 -4.52 120.64 116.45 1nxi n GLU 123 Ca 0.03 -1.02 0.00 0.00 -0.02 0.00 0.00 57.16 56.15 1nxi n GLU 123 Cb 0.52 -1.00 0.00 0.00 -0.02 0.00 0.00 31.44 30.93 1nxi n GLU 123 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nxi n GLY 124 N -2.12 0.83 3.31 0.62 0.00 -1.26 -5.01 105.19 101.57 1nxi n GLY 124 Ca 0.09 -0.65 -0.46 0.00 0.00 0.00 0.00 46.02 45.00 1nxi n GLY 124 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nxi s LEU 125 N -0.52 6.61 0.15 0.99 1.98 -1.26 -5.03 118.68 121.60 1nxi s LEU 125 Ca 0.00 -2.62 -0.32 0.00 -2.89 0.00 0.00 54.13 48.30 1nxi s LEU 125 Cb 0.00 -2.19 -0.11 0.00 0.66 0.00 0.00 46.19 44.55 1nxi s LEU 125 CO 0.00 -0.58 1.79 1.21 -1.89 0.00 0.00 176.35 176.87 1nxi n GLU 126 N 4.05 2.75 0.00 1.98 4.07 -1.26 -4.97 120.64 127.26 1nxi n GLU 126 Ca 0.11 1.00 0.00 0.00 -0.06 0.00 0.00 57.16 58.21 1nxi n GLU 126 Cb 0.46 -2.87 0.00 0.00 -0.06 0.00 0.00 31.44 28.97 1nxi n GLU 126 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 1nxi n HIS 127 N 4.92 0.00 -3.19 4.31 8.25 -1.26 -4.80 115.22 123.45 1nxi n HIS 127 Ca 0.17 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.41 1nxi n HIS 127 Cb 0.36 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.48 1nxi n HIS 127 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1nxi n HIS 128 N 0.00 -1.87 0.44 4.41 -0.00 -1.26 -4.79 115.22 112.15 1nxi n HIS 128 Ca 0.00 0.49 0.06 0.00 -0.00 0.00 0.00 57.72 58.27 1nxi n HIS 128 Cb 0.00 -3.65 0.28 0.00 -0.00 0.00 0.00 29.99 26.62 1nxi n HIS 128 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1nxi n HIS 129 N -4.19 0.01 -1.42 1.57 8.25 -1.26 -4.73 115.22 113.44 1nxi n HIS 129 Ca -0.06 0.01 -0.30 0.00 -0.26 0.00 0.00 57.72 57.11 1nxi n HIS 129 Cb 0.58 -0.51 0.20 0.00 1.12 0.00 0.00 29.99 31.38 1nxi n HIS 129 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1nxi s HIS 130 N -3.01 1.32 0.00 4.41 3.76 -1.26 -5.02 115.29 115.49 1nxi s HIS 130 Ca 0.06 0.54 0.00 0.00 -0.15 0.00 0.00 55.06 55.52 1nxi s HIS 130 Cb 0.08 -3.62 0.00 0.00 1.11 0.00 0.00 32.58 30.15 1nxi s HIS 130 CO 0.24 -3.16 0.00 1.58 -0.85 0.00 0.00 174.74 172.55 1nxi n HIS 131 N -4.24 0.00 -0.25 1.40 -0.00 -1.26 -5.23 115.22 105.64 1nxi n HIS 131 Ca 0.12 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.30 1nxi n HIS 131 Cb 0.59 0.10 0.00 0.00 -0.12 0.00 0.00 29.99 30.56 1nxi n HIS 131 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41