#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 -0.60 -2.31 7.83 3.41 -1.26 -4.94 113.62 115.75 1nxi n SER 2 Ca 0.00 -1.73 -0.06 0.00 -0.26 0.00 0.00 58.87 56.82 1nxi n SER 2 Cb 0.00 0.18 0.05 0.00 -0.26 0.00 0.00 64.21 64.17 1nxi n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nxi n HIS 3 N 0.03 1.45 -3.60 7.33 -0.00 -1.26 -5.06 115.22 114.11 1nxi n HIS 3 Ca -0.18 -1.93 -0.16 0.00 -0.00 0.00 0.00 57.72 55.45 1nxi n HIS 3 Cb 0.67 -0.25 -0.07 0.00 -0.00 0.00 0.00 29.99 30.34 1nxi n HIS 3 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.34 175.20 1nxi s GLN 4 N -3.26 0.91 -0.23 -1.40 -0.44 -1.26 -5.16 119.66 108.82 1nxi s GLN 4 Ca 0.35 0.41 -0.10 0.00 -2.50 0.00 0.00 55.36 53.53 1nxi s GLN 4 Cb 0.36 0.43 0.09 0.00 -1.64 0.00 0.00 33.01 32.25 1nxi s GLN 4 CO -0.03 -0.23 0.52 0.34 0.50 0.00 0.00 175.29 176.39 1nxi s ASP 5 N -0.70 -0.66 -0.45 6.67 -1.08 -1.26 -5.04 116.67 114.14 1nxi s ASP 5 Ca -0.08 1.21 0.07 0.00 -0.52 0.00 0.00 52.55 53.23 1nxi s ASP 5 Cb -0.02 1.41 0.18 0.00 -1.46 0.00 0.00 42.92 43.03 1nxi s ASP 5 CO 0.06 -0.22 0.64 -0.62 0.52 0.00 0.00 175.17 175.56 1nxi s ASP 6 N 2.14 -1.21 -0.48 -0.34 -1.08 -1.26 -5.01 116.67 109.43 1nxi s ASP 6 Ca -0.07 -1.32 -0.36 0.00 -0.52 0.00 0.00 52.55 50.28 1nxi s ASP 6 Cb -0.10 1.76 0.05 0.00 -1.46 0.00 0.00 42.92 43.18 1nxi s ASP 6 CO -0.16 -0.13 0.66 0.00 0.52 0.00 0.00 175.17 176.07 1nxi n TYR 7 N 3.73 -2.62 -0.75 -5.34 4.19 -1.26 -4.85 117.16 110.26 1nxi n TYR 7 Ca 0.15 1.10 -0.30 0.00 3.31 0.00 0.00 57.90 62.16 1nxi n TYR 7 Cb 0.55 -1.83 0.19 0.00 0.49 0.00 0.00 39.34 38.75 1nxi n TYR 7 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 1nxi s LEU 8 N -2.68 1.94 0.07 2.98 1.02 -1.26 -4.89 118.68 115.86 1nxi s LEU 8 Ca 0.35 1.78 0.00 0.00 0.02 0.00 0.00 54.13 56.28 1nxi s LEU 8 Cb -0.04 -3.99 0.00 0.00 0.02 0.00 0.00 46.19 42.19 1nxi s LEU 8 CO 0.88 -3.42 0.00 -1.20 0.02 0.00 0.00 176.35 172.63 1nxi n SER 9 N -4.42 -0.64 0.18 2.29 7.64 -1.26 -4.92 113.62 112.50 1nxi n SER 9 Ca 0.07 0.26 0.16 0.00 1.01 0.00 0.00 58.87 60.38 1nxi n SER 9 Cb 0.54 0.82 0.78 0.00 -1.01 0.00 0.00 64.21 65.34 1nxi n SER 9 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1nxi h VAL 10 N 0.00 0.60 0.00 0.44 2.07 -2.00 0.37 116.25 117.74 1nxi h VAL 10 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1nxi h VAL 10 Cb 0.00 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1nxi h VAL 10 CO 0.00 0.00 -0.10 -0.08 0.02 0.00 0.00 177.57 177.41 1nxi h GLU 11 N 0.00 0.00 -0.01 1.57 4.81 -1.99 -2.68 114.58 116.28 1nxi h GLU 11 Ca 0.10 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1nxi h GLU 11 Cb 0.47 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1nxi h GLU 11 CO -0.00 0.10 -0.17 0.93 -0.73 0.00 0.00 179.01 179.14 1nxi h GLU 12 N 0.00 0.14 -0.37 1.92 4.39 -0.62 -1.68 114.58 118.36 1nxi h GLU 12 Ca -0.00 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.57 1nxi h GLU 12 Cb 0.67 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.33 1nxi h GLU 12 CO 0.01 0.84 0.21 -0.07 -1.16 0.00 0.00 179.01 178.84 1nxi h LEU 13 N -0.52 0.46 0.42 1.33 3.38 -1.48 -0.49 115.31 118.40 1nxi h LEU 13 Ca -0.02 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1nxi h LEU 13 Cb 0.88 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1nxi h LEU 13 CO 0.03 0.40 -0.20 0.40 0.09 0.00 0.00 178.44 179.16 1nxi h ILE 14 N 0.48 0.59 -0.07 1.22 2.04 -1.55 -2.40 117.51 117.82 1nxi h ILE 14 Ca 0.13 -0.18 0.04 0.00 1.00 0.00 0.00 64.86 65.86 1nxi h ILE 14 Cb 0.03 0.68 -0.06 0.00 -0.74 0.00 0.00 36.82 36.74 1nxi h ILE 14 CO -0.02 0.03 -0.32 -0.33 0.00 0.00 0.00 178.15 177.51 1nxi h GLU 15 N -0.66 -0.41 -1.07 2.37 5.08 -1.19 0.68 114.58 119.37 1nxi h GLU 15 Ca -0.06 0.03 0.29 0.00 -1.00 0.00 0.00 59.36 58.62 1nxi h GLU 15 Cb 0.49 0.09 -0.11 0.00 0.50 0.00 0.00 28.75 29.72 1nxi h GLU 15 CO 0.09 -0.27 0.68 0.82 -1.00 0.00 0.00 179.01 179.33 1nxi h ILE 16 N -0.43 0.45 -0.09 3.13 2.04 -1.02 0.52 117.51 122.12 1nxi h ILE 16 Ca 0.08 -0.13 -0.19 0.00 1.00 0.00 0.00 64.86 65.62 1nxi h ILE 16 Cb 0.55 0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1nxi h ILE 16 CO -0.31 0.07 -0.74 1.56 0.00 0.00 0.00 178.15 178.72 1nxi h GLN 17 N 0.37 0.47 -0.59 2.37 7.50 -0.41 -2.49 115.11 122.33 1nxi h GLN 17 Ca 0.65 -0.38 0.01 0.00 0.50 0.00 0.00 58.65 59.42 1nxi h GLN 17 Cb 1.64 0.08 -0.03 0.00 0.05 0.00 0.00 27.48 29.22 1nxi h GLN 17 CO -0.37 1.02 0.38 0.87 -1.50 0.00 0.00 178.83 179.23 1nxi h LYS 18 N 0.32 0.75 0.32 1.46 1.57 0.16 0.14 116.57 121.30 1nxi h LYS 18 Ca -0.04 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1nxi h LYS 18 Cb 1.33 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1nxi h LYS 18 CO 0.13 0.50 -0.15 1.49 -0.57 0.00 0.00 179.45 180.85 1nxi h GLU 19 N 0.78 -0.41 -0.31 3.15 4.81 -1.36 -2.71 114.58 118.52 1nxi h GLU 19 Ca 0.22 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.57 1nxi h GLU 19 Cb -0.07 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1nxi h GLU 19 CO -0.06 -0.08 0.26 1.49 -0.73 0.00 0.00 179.01 179.89 1nxi h GLU 20 N -0.85 0.00 0.18 1.92 4.57 -1.36 -2.01 114.58 117.04 1nxi h GLU 20 Ca -0.04 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 1nxi h GLU 20 Cb 0.52 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 1nxi h GLU 20 CO 0.07 0.00 -0.09 1.15 -1.18 0.00 0.00 179.01 178.96 1nxi h THR 21 N 0.00 0.92 -0.12 0.32 2.02 -0.54 -1.36 112.91 114.14 1nxi h THR 21 Ca 0.15 -0.77 0.03 0.00 0.77 0.00 0.00 66.41 66.59 1nxi h THR 21 Cb 0.67 1.36 -0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1nxi h THR 21 CO -0.00 0.17 0.11 0.03 0.37 0.00 0.00 175.52 176.20 1nxi h ARG 22 N -0.64 0.00 0.06 6.66 3.08 -1.06 -0.04 114.38 122.44 1nxi h ARG 22 Ca -0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1nxi h ARG 22 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1nxi h ARG 22 CO 0.04 0.00 -0.03 0.22 -1.07 0.00 0.00 179.97 179.13 1nxi h ASP 23 N 0.00 -0.07 0.47 7.04 3.58 -1.20 -1.89 116.42 124.35 1nxi h ASP 23 Ca 0.06 -0.56 -0.02 0.00 0.42 0.00 0.00 57.03 56.93 1nxi h ASP 23 Cb 0.27 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.35 1nxi h ASP 23 CO -0.00 0.59 -0.22 0.40 -2.88 0.00 0.00 179.24 177.12 1nxi h ILE 24 N -0.80 0.53 -0.67 2.25 2.04 -0.74 -0.55 117.51 119.57 1nxi h ILE 24 Ca -0.01 -0.16 0.15 0.00 1.00 0.00 0.00 64.86 65.84 1nxi h ILE 24 Cb 0.63 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 1nxi h ILE 24 CO 0.01 0.03 0.46 0.40 0.00 0.00 0.00 178.15 179.05 1nxi h ILE 25 N -0.72 0.79 0.43 -0.67 5.03 -1.15 -0.87 117.51 120.35 1nxi h ILE 25 Ca -0.06 -0.10 -0.02 0.00 -0.12 0.00 0.00 64.86 64.56 1nxi h ILE 25 Cb 0.53 0.48 0.00 0.00 -3.03 0.00 0.00 36.82 34.80 1nxi h ILE 25 CO 0.11 0.05 -0.21 -0.61 -0.68 0.00 0.00 178.15 176.81 1nxi h GLN 26 N 0.28 -0.56 -0.22 2.37 5.75 -0.74 -0.43 115.11 121.57 1nxi h GLN 26 Ca 0.32 0.04 0.06 0.00 -0.15 0.00 0.00 58.65 58.92 1nxi h GLN 26 Cb 0.87 0.13 -0.06 0.00 1.07 0.00 0.00 27.48 29.49 1nxi h GLN 26 CO -0.08 -0.27 -0.17 0.00 -2.65 0.00 0.00 178.83 175.67 1nxi h ALA 27 N -0.77 -0.02 -0.26 3.38 0.00 -0.55 -0.29 119.26 120.75 1nxi h ALA 27 Ca -0.06 0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1nxi h ALA 27 Cb 0.55 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1nxi h ALA 27 CO 0.10 -0.59 0.09 -0.07 0.00 0.00 0.00 179.25 178.78 1nxi h LEU 28 N -0.17 0.11 -0.65 0.00 3.38 -1.24 0.99 115.31 117.74 1nxi h LEU 28 Ca 0.13 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.22 1nxi h LEU 28 Cb 0.36 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.05 1nxi h LEU 28 CO -0.32 0.10 0.25 -0.07 0.09 0.00 0.00 178.44 178.49 1nxi h LEU 29 N 0.21 0.26 -1.11 1.67 3.38 -0.30 0.10 115.31 119.53 1nxi h LEU 29 Ca 0.11 0.08 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 1nxi h LEU 29 Cb 0.08 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1nxi h LEU 29 CO -0.11 0.15 -0.40 -0.33 0.09 0.00 0.00 178.44 177.83 1nxi h GLU 30 N 0.44 0.08 -0.59 1.13 5.08 -0.37 -2.71 114.58 117.64 1nxi h GLU 30 Ca 0.33 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 1nxi h GLU 30 Cb 0.42 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 1nxi h GLU 30 CO -0.32 0.48 0.32 -0.44 -1.00 0.00 0.00 179.01 178.04 1nxi h ASP 31 N 0.07 0.72 0.00 1.42 5.19 0.17 -3.46 116.42 120.54 1nxi h ASP 31 Ca 0.01 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 1nxi h ASP 31 Cb 0.75 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.07 1nxi h ASP 31 CO 0.06 0.59 0.00 0.61 -3.12 0.00 0.00 179.24 177.38 1nxi n GLY 32 N -1.25 1.39 1.74 2.75 0.00 -0.85 -5.10 105.19 103.87 1nxi n GLY 32 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.00 1nxi n GLY 32 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1nxi n SER 33 N 0.00 -2.07 -3.42 1.61 2.88 -1.12 -4.98 113.62 106.52 1nxi n SER 33 Ca 0.00 -0.22 -0.26 0.00 -1.33 0.00 0.00 58.87 57.07 1nxi n SER 33 Cb 0.00 -0.42 -0.11 0.00 -0.75 0.00 0.00 64.21 62.93 1nxi n SER 33 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1nxi s ASP 34 N -1.69 2.32 0.52 -3.46 1.11 -1.26 -4.98 116.67 109.23 1nxi s ASP 34 Ca 0.17 -2.13 0.25 0.00 0.18 0.00 0.00 52.55 51.01 1nxi s ASP 34 Cb -0.03 -0.14 1.35 0.00 1.07 0.00 0.00 42.92 45.17 1nxi s ASP 34 CO 0.14 -0.28 1.73 -0.65 1.18 0.00 0.00 175.17 177.29 1nxi h PRO 35 N 6.85 0.00 -0.46 8.23 0.11 -1.93 0.12 132.00 144.92 1nxi h PRO 35 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1nxi h PRO 35 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1nxi h PRO 35 CO 0.25 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.64 1nxi n ASP 36 N -2.56 2.15 -0.45 -2.05 5.68 -1.26 -3.74 116.55 114.32 1nxi n ASP 36 Ca -0.02 -2.11 0.07 0.00 -0.50 0.00 0.00 54.79 52.23 1nxi n ASP 36 Cb 0.29 -0.32 0.19 0.00 -1.14 0.00 0.00 41.12 40.13 1nxi n ASP 36 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1nxi n ALA 37 N 0.42 3.21 -1.26 2.12 0.00 0.42 -5.10 120.51 120.32 1nxi n ALA 37 Ca 0.11 -3.08 0.14 0.00 0.00 0.00 0.00 53.44 50.62 1nxi n ALA 37 Cb 0.39 -0.36 -0.08 0.00 0.00 0.00 0.00 19.45 19.40 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 -1.19 -0.82 -4.18 0.00 4.77 -1.25 -5.01 117.00 109.31 1nxi n LEU 38 Ca 0.18 1.92 -0.13 0.00 -0.03 0.00 0.00 56.01 57.95 1nxi n LEU 38 Cb 0.68 -2.86 -0.09 0.00 -2.33 0.00 0.00 43.42 38.82 1nxi n LEU 38 CO -0.02 -1.75 -0.16 -0.47 -1.33 0.00 0.00 177.39 173.66 1nxi s TYR 39 N -4.42 1.15 -0.10 -1.77 5.04 0.40 -4.85 117.35 112.80 1nxi s TYR 39 Ca 0.00 -1.34 0.03 0.00 -2.44 0.00 0.00 57.07 53.32 1nxi s TYR 39 Cb 0.00 -0.48 0.01 0.00 0.35 0.00 0.00 41.96 41.84 1nxi s TYR 39 CO 0.00 -0.73 -0.20 -2.00 -1.34 0.00 0.00 175.55 171.27 1nxi s GLU 40 N -4.00 2.65 -0.10 4.97 2.12 -1.26 -2.01 118.70 121.08 1nxi s GLU 40 Ca 0.37 -0.74 0.03 0.00 0.36 0.00 0.00 54.97 55.00 1nxi s GLU 40 Cb 0.05 -2.06 0.00 0.00 0.26 0.00 0.00 34.13 32.38 1nxi s GLU 40 CO 0.14 0.10 -0.21 0.42 -0.54 0.00 0.00 175.26 175.18 1nxi s ILE 41 N 0.53 1.81 0.05 -3.70 1.09 -0.55 -3.69 121.20 116.75 1nxi s ILE 41 Ca -0.15 -0.87 0.07 0.00 -1.10 0.00 0.00 60.65 58.60 1nxi s ILE 41 Cb -0.17 -1.58 -0.03 0.00 -1.06 0.00 0.00 42.46 39.62 1nxi s ILE 41 CO 0.06 0.50 -0.18 -1.83 -0.10 0.00 0.00 174.94 173.39 1nxi s GLU 42 N 0.49 2.03 0.18 2.79 -1.05 -0.58 -1.37 118.70 121.19 1nxi s GLU 42 Ca -0.16 -1.01 0.10 0.00 -0.15 0.00 0.00 54.97 53.75 1nxi s GLU 42 Cb -0.17 -2.18 -0.04 0.00 -0.44 0.00 0.00 34.13 31.29 1nxi s GLU 42 CO 0.06 0.53 -0.22 -1.01 0.95 0.00 0.00 175.26 175.57 1nxi s HIS 43 N -0.97 2.12 -0.05 4.83 3.76 -0.78 -2.26 115.29 121.93 1nxi s HIS 43 Ca 0.15 -0.40 0.06 0.00 -0.15 0.00 0.00 55.06 54.73 1nxi s HIS 43 Cb -0.11 -1.06 -0.01 0.00 1.11 0.00 0.00 32.58 32.51 1nxi s HIS 43 CO 0.06 0.42 -0.24 -1.58 -0.85 0.00 0.00 174.74 172.55 1nxi s HIS 44 N -1.72 2.34 -0.02 1.40 2.46 0.38 -1.84 115.29 118.29 1nxi s HIS 44 Ca 0.18 -0.68 -0.07 0.00 0.47 0.00 0.00 55.06 54.96 1nxi s HIS 44 Cb -0.07 -1.54 0.01 0.00 -0.13 0.00 0.00 32.58 30.85 1nxi s HIS 44 CO 0.08 -0.20 0.15 -0.51 -2.47 0.00 0.00 174.74 171.79 1nxi s LEU 45 N -0.17 1.47 0.23 8.88 1.02 -1.03 -3.76 118.68 125.32 1nxi s LEU 45 Ca -0.03 -0.01 0.08 0.00 0.02 0.00 0.00 54.13 54.20 1nxi s LEU 45 Cb -0.13 0.65 -0.05 0.00 0.02 0.00 0.00 46.19 46.68 1nxi s LEU 45 CO 0.03 -0.26 -0.14 -0.36 0.02 0.00 0.00 176.35 175.65 1nxi s PHE 46 N -0.85 1.84 0.33 0.29 0.08 -1.25 -1.74 117.98 116.68 1nxi s PHE 46 Ca -0.09 -0.56 0.06 0.00 0.12 0.00 0.00 56.93 56.46 1nxi s PHE 46 Cb -0.05 -0.88 -0.02 0.00 -0.57 0.00 0.00 43.02 41.49 1nxi s PHE 46 CO 0.01 0.40 0.31 0.00 -0.10 0.00 0.00 175.22 175.85 1nxi n ALA 47 N -0.45 0.51 -0.08 5.36 0.00 -1.05 -3.33 120.51 121.47 1nxi n ALA 47 Ca -0.07 -1.84 -0.14 0.00 0.00 0.00 0.00 53.44 51.39 1nxi n ALA 47 Cb 0.61 1.49 -0.06 0.00 0.00 0.00 0.00 19.45 21.48 1nxi n ALA 47 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1nxi n GLU 48 N -0.61 0.35 -3.94 0.00 -0.58 -1.26 -4.09 120.64 110.51 1nxi n GLU 48 Ca 0.06 0.12 -0.34 0.00 -0.42 0.00 0.00 57.16 56.58 1nxi n GLU 48 Cb 0.59 -1.16 -0.06 0.00 -0.57 0.00 0.00 31.44 30.24 1nxi n GLU 48 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1nxi s ASP 49 N -5.98 6.24 0.42 1.62 -1.08 -1.26 -4.86 116.67 111.77 1nxi s ASP 49 Ca -0.21 0.35 0.13 0.00 -0.52 0.00 0.00 52.55 52.30 1nxi s ASP 49 Cb 0.07 -1.95 0.89 0.00 -1.46 0.00 0.00 42.92 40.46 1nxi s ASP 49 CO 0.30 0.31 1.94 2.19 0.52 0.00 0.00 175.17 180.43 1nxi h PHE 50 N 4.26 0.06 0.00 -5.34 -0.00 -1.99 -2.20 116.94 111.73 1nxi h PHE 50 Ca -0.51 -0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.45 1nxi h PHE 50 Cb 1.20 -0.02 0.00 0.00 -0.00 0.00 0.00 35.95 37.13 1nxi h PHE 50 CO 0.69 0.27 0.00 -0.25 -0.00 0.00 0.00 178.31 179.02 1nxi n ASP 51 N -4.26 0.00 -0.50 -0.68 8.00 -1.26 -1.48 116.55 116.37 1nxi n ASP 51 Ca -0.02 0.63 0.42 0.00 0.71 0.00 0.00 54.79 56.53 1nxi n ASP 51 Cb 0.28 -0.40 0.70 0.00 -0.02 0.00 0.00 41.12 41.68 1nxi n ASP 51 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1nxi n LYS 52 N -1.69 -0.03 0.13 -1.24 3.00 -1.23 0.75 118.16 117.84 1nxi n LYS 52 Ca 0.00 1.24 -0.13 0.00 -0.00 0.00 0.00 58.31 59.42 1nxi n LYS 52 Cb 0.00 -2.49 -0.08 0.00 0.00 0.00 0.00 35.03 32.46 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 -0.29 -2.18 3.14 6.46 -1.37 -1.58 115.31 119.49 1nxi h LEU 53 Ca 0.89 -0.19 0.06 0.00 -0.12 0.00 0.00 57.88 58.52 1nxi h LEU 53 Cb 2.95 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 42.95 1nxi h LEU 53 CO -0.42 0.06 0.25 -0.08 -0.62 0.00 0.00 178.44 177.63 1nxi h GLU 54 N -0.67 0.00 0.07 1.25 4.81 0.15 -0.06 114.58 120.12 1nxi h GLU 54 Ca -0.04 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1nxi h GLU 54 Cb 0.47 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1nxi h GLU 54 CO 0.06 0.00 -0.03 0.87 -0.73 0.00 0.00 179.01 179.17 1nxi h LYS 55 N 0.00 -0.09 -0.94 1.92 1.79 -0.87 -0.85 116.57 117.52 1nxi h LYS 55 Ca 0.10 0.01 0.22 0.00 -2.18 0.00 0.00 60.65 58.80 1nxi h LYS 55 Cb 0.60 0.02 -0.12 0.00 -1.58 0.00 0.00 32.23 31.16 1nxi h LYS 55 CO -0.00 -0.06 0.50 0.00 -1.08 0.00 0.00 179.45 178.81 1nxi h ALA 56 N -1.59 1.58 -0.07 3.86 0.00 -1.07 0.99 119.26 122.97 1nxi h ALA 56 Ca -0.01 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1nxi h ALA 56 Cb 0.07 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1nxi h ALA 56 CO 0.02 -0.26 0.01 0.00 0.00 0.00 0.00 179.25 179.02 1nxi h ALA 57 N 1.70 0.09 -0.26 0.00 0.00 -1.10 -2.42 119.26 117.27 1nxi h ALA 57 Ca 0.59 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.42 1nxi h ALA 57 Cb 1.07 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.76 1nxi h ALA 57 CO -0.48 -0.27 -0.27 0.28 0.00 0.00 0.00 179.25 178.51 1nxi h VAL 58 N -0.12 0.34 -0.89 0.00 2.07 0.65 0.95 116.25 119.25 1nxi h VAL 58 Ca 0.02 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.71 1nxi h VAL 58 Cb 0.26 0.34 -0.10 0.00 -1.52 0.00 0.00 31.29 30.27 1nxi h VAL 58 CO 0.00 0.00 0.47 -0.33 0.02 0.00 0.00 177.57 177.73 1nxi h GLU 59 N -0.28 0.61 0.34 1.57 4.39 -1.12 -1.52 114.58 118.57 1nxi h GLU 59 Ca 0.14 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 1nxi h GLU 59 Cb 0.49 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 1nxi h GLU 59 CO -0.42 0.40 -0.43 0.00 -1.16 0.00 0.00 179.01 177.41 1nxi h ALA 60 N 1.60 -0.90 -0.22 3.43 0.00 -0.32 0.38 119.26 123.24 1nxi h ALA 60 Ca 0.50 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.32 1nxi h ALA 60 Cb 0.76 0.65 -0.07 0.00 0.00 0.00 0.00 17.79 19.13 1nxi h ALA 60 CO -0.39 -1.05 -0.55 0.35 0.00 0.00 0.00 179.25 177.61 1nxi h PHE 61 N -0.81 -1.64 -0.90 0.00 3.04 -0.59 0.17 116.94 116.20 1nxi h PHE 61 Ca -0.02 0.07 0.22 0.00 3.98 0.00 0.00 57.97 62.21 1nxi h PHE 61 Cb 0.75 0.74 -0.12 0.00 2.56 0.00 0.00 35.95 39.88 1nxi h PHE 61 CO -0.27 -0.53 0.42 0.87 -2.02 0.00 0.00 178.31 176.78 1nxi h LYS 62 N -0.53 0.42 0.00 1.11 1.57 -1.15 1.05 116.57 119.05 1nxi h LYS 62 Ca 0.04 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1nxi h LYS 62 Cb 0.65 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 1nxi h LYS 62 CO -0.48 0.28 -0.15 0.52 -0.57 0.00 0.00 179.45 179.05 1nxi h MET 63 N 0.44 0.00 0.00 3.15 2.86 0.15 -3.46 114.93 118.07 1nxi h MET 63 Ca 0.56 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.20 1nxi h MET 63 Cb 1.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.71 1nxi h MET 63 CO -0.51 0.15 0.00 0.41 1.06 0.00 0.00 176.91 178.02 1nxi n GLY 64 N -0.54 0.77 2.83 8.32 0.00 0.36 -5.09 105.19 111.85 1nxi n GLY 64 Ca -0.01 -0.19 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.39 1.11 -0.90 1.61 0.08 -0.89 -4.86 117.98 113.74 1nxi s PHE 65 Ca 0.00 -0.54 -0.25 0.00 0.12 0.00 0.00 56.93 56.25 1nxi s PHE 65 Cb 0.00 -1.04 -0.11 0.00 -0.57 0.00 0.00 43.02 41.30 1nxi s PHE 65 CO 0.00 -0.46 2.17 -2.00 -0.10 0.00 0.00 175.22 174.84 1nxi s GLU 66 N 1.83 1.96 0.44 0.44 2.12 0.05 -3.71 118.70 121.83 1nxi s GLU 66 Ca 0.04 -0.03 -0.24 0.00 0.36 0.00 0.00 54.97 55.10 1nxi s GLU 66 Cb -0.13 -4.94 -0.08 0.00 0.26 0.00 0.00 34.13 29.24 1nxi s GLU 66 CO -0.07 -4.15 1.16 0.54 -0.54 0.00 0.00 175.26 172.20 1nxi s VAL 67 N 13.06 3.15 -0.02 3.70 0.11 -1.26 -1.15 120.40 137.99 1nxi s VAL 67 Ca 0.81 0.89 0.06 0.00 -2.93 0.00 0.00 61.98 60.81 1nxi s VAL 67 Cb -0.09 -3.47 -0.01 0.00 -1.53 0.00 0.00 36.38 31.28 1nxi s VAL 67 CO 0.06 0.02 -0.19 -0.76 -3.33 0.00 0.00 175.10 170.90 1nxi s LEU 68 N -2.84 2.01 1.02 2.54 2.01 0.39 -4.92 118.68 118.89 1nxi s LEU 68 Ca 0.61 -0.35 -0.19 0.00 0.01 0.00 0.00 54.13 54.21 1nxi s LEU 68 Cb -0.29 -0.99 -0.05 0.00 0.01 0.00 0.00 46.19 44.86 1nxi s LEU 68 CO 0.36 0.22 -0.48 -0.62 1.01 0.00 0.00 176.35 176.83 1nxi n GLU 69 N 2.72 -0.45 -3.73 1.70 -0.58 -1.26 -2.36 120.64 116.68 1nxi n GLU 69 Ca -0.16 -0.12 -0.26 0.00 -0.42 0.00 0.00 57.16 56.21 1nxi n GLU 69 Cb 0.53 -1.38 0.01 0.00 -0.57 0.00 0.00 31.44 30.03 1nxi n GLU 69 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1nxi s ALA 70 N -2.16 4.57 -0.16 0.62 0.00 -1.26 -4.10 121.76 119.28 1nxi s ALA 70 Ca 0.47 -1.35 -0.05 0.00 0.00 0.00 0.00 51.96 51.03 1nxi s ALA 70 Cb -0.11 -0.87 0.08 0.00 0.00 0.00 0.00 23.12 22.22 1nxi s ALA 70 CO 0.71 -0.58 0.30 -1.83 0.00 0.00 0.00 175.76 174.36 1nxi s GLU 71 N -4.40 0.20 -0.46 0.00 -1.05 -1.17 -4.86 118.70 106.96 1nxi s GLU 71 Ca 0.38 0.77 -0.45 0.00 -0.15 0.00 0.00 54.97 55.53 1nxi s GLU 71 Cb -0.03 -0.04 -0.19 0.00 -0.44 0.00 0.00 34.13 33.43 1nxi s GLU 71 CO 0.24 -0.32 1.78 -0.85 0.95 0.00 0.00 175.26 177.06 1nxi n GLU 72 N 5.36 0.21 0.00 -4.83 0.28 -1.26 -4.26 120.64 116.15 1nxi n GLU 72 Ca -0.06 0.07 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 1nxi n GLU 72 Cb 0.50 -1.63 0.00 0.00 1.43 0.00 0.00 31.44 31.74 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 4.83 0.00 -3.67 3.84 5.66 -1.05 -4.94 114.28 118.95 1nxi n THR 73 Ca 0.37 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 61.25 1nxi n THR 73 Cb -0.02 -0.01 -0.12 0.00 -1.55 0.00 0.00 70.33 68.64 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 2.29 0.24 -0.14 1.09 2.02 -1.26 -4.10 118.70 118.84 1nxi s GLU 74 Ca 0.00 0.84 -0.10 0.00 0.02 0.00 0.00 54.97 55.73 1nxi s GLU 74 Cb 0.00 0.10 -0.03 0.00 0.10 0.00 0.00 34.13 34.29 1nxi s GLU 74 CO 0.00 -0.25 -0.19 -3.47 0.02 0.00 0.00 175.26 171.37 1nxi n ASP 75 N 5.14 1.72 -2.01 -0.19 -0.08 -1.26 -4.36 116.55 115.51 1nxi n ASP 75 Ca -0.11 0.58 -0.20 0.00 -1.51 0.00 0.00 54.79 53.55 1nxi n ASP 75 Cb 0.50 -0.84 0.15 0.00 2.34 0.00 0.00 41.12 43.28 1nxi n ASP 75 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1nxi n GLU 76 N -4.47 2.02 -0.62 -0.67 2.13 -1.26 -4.83 120.64 112.95 1nxi n GLU 76 Ca -0.08 -2.46 -0.00 0.00 0.66 0.00 0.00 57.16 55.28 1nxi n GLU 76 Cb 0.28 -1.97 -0.00 0.00 0.27 0.00 0.00 31.44 30.02 1nxi n GLU 76 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1nxi n ASP 77 N -0.85 -3.57 -0.34 4.31 9.92 -1.26 -4.47 116.55 120.29 1nxi n ASP 77 Ca 0.49 0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.76 1nxi n ASP 77 Cb 1.46 -2.31 0.00 0.00 -0.64 0.00 0.00 41.12 39.63 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 0.57 -0.40 2.84 0.44 0.00 -1.26 -5.10 105.19 102.28 1nxi n GLY 78 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 0.88 -3.25 1.61 3.02 -1.26 -5.06 115.26 111.21 1nxi n ASN 79 Ca 0.00 -2.86 -0.02 0.00 -0.03 0.00 0.00 54.58 51.67 1nxi n ASN 79 Cb 0.62 0.97 -0.04 0.00 -0.61 0.00 0.00 39.78 40.72 1nxi n ASN 79 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1nxi s LYS 80 N -3.30 0.46 0.29 3.52 0.00 -1.26 -4.49 119.74 114.96 1nxi s LYS 80 Ca 0.20 0.79 0.04 0.00 0.00 0.00 0.00 55.97 57.00 1nxi s LYS 80 Cb 0.01 0.07 -0.06 0.00 0.00 0.00 0.00 37.83 37.85 1nxi s LYS 80 CO 0.14 -0.63 0.04 -0.48 0.00 0.00 0.00 175.35 174.43 1nxi s LEU 81 N 2.71 2.12 -0.17 2.77 2.34 -1.26 -4.94 118.68 122.25 1nxi s LEU 81 Ca 0.17 -1.33 -0.11 0.00 0.06 0.00 0.00 54.13 52.91 1nxi s LEU 81 Cb -0.15 -0.31 -0.05 0.00 -0.56 0.00 0.00 46.19 45.12 1nxi s LEU 81 CO -0.19 -0.59 0.20 -0.76 -1.06 0.00 0.00 176.35 173.96 1nxi s LEU 82 N -3.42 4.25 -0.21 1.48 1.02 -1.26 -2.52 118.68 118.03 1nxi s LEU 82 Ca 0.35 0.39 0.01 0.00 0.02 0.00 0.00 54.13 54.89 1nxi s LEU 82 Cb 0.08 -2.21 0.05 0.00 0.02 0.00 0.00 46.19 44.12 1nxi s LEU 82 CO 0.14 0.18 -0.10 0.00 0.02 0.00 0.00 176.35 176.59 1nxi s PHE 84 N 1.39 3.30 0.32 0.00 -0.71 -0.71 -3.04 117.98 118.53 1nxi s PHE 84 Ca -0.02 -0.10 0.08 0.00 -1.04 0.00 0.00 56.93 55.84 1nxi s PHE 84 Cb -0.17 -1.72 -0.06 0.00 -1.21 0.00 0.00 43.02 39.86 1nxi s PHE 84 CO -0.08 0.28 -0.06 -0.51 -1.34 0.00 0.00 175.22 173.50 1nxi s ASP 85 N -4.04 3.30 0.07 1.98 1.01 -0.99 -2.46 116.67 115.53 1nxi s ASP 85 Ca 0.38 -1.22 -0.01 0.00 0.71 0.00 0.00 52.55 52.41 1nxi s ASP 85 Cb -0.09 -0.27 -0.04 0.00 1.01 0.00 0.00 42.92 43.53 1nxi s ASP 85 CO 0.29 -0.30 -0.02 0.00 0.21 0.00 0.00 175.17 175.36 1nxi s ALA 86 N -2.81 0.60 0.03 5.23 0.00 -0.77 0.15 121.76 124.19 1nxi s ALA 86 Ca 0.32 -1.26 0.01 0.00 0.00 0.00 0.00 51.96 51.02 1nxi s ALA 86 Cb 0.04 0.34 -0.02 0.00 0.00 0.00 0.00 23.12 23.48 1nxi s ALA 86 CO 0.15 -0.38 -0.04 0.99 0.00 0.00 0.00 175.76 176.48 1nxi s THR 87 N -3.91 0.22 -0.24 0.00 2.01 -0.30 -1.86 115.64 111.55 1nxi s THR 87 Ca 0.10 -0.95 -0.13 0.00 0.31 0.00 0.00 61.69 61.02 1nxi s THR 87 Cb 0.08 -0.35 0.08 0.00 0.01 0.00 0.00 72.50 72.32 1nxi s THR 87 CO -0.08 -0.47 0.58 -0.32 -0.69 0.00 0.00 174.62 173.64 1nxi s MET 88 N -1.49 0.57 -0.01 4.92 1.75 -0.47 -0.77 119.30 123.79 1nxi s MET 88 Ca -0.15 1.09 -0.09 0.00 -1.25 0.00 0.00 55.69 55.29 1nxi s MET 88 Cb -0.10 0.15 -0.05 0.00 2.84 0.00 0.00 34.83 37.67 1nxi s MET 88 CO -0.01 -0.16 0.29 -0.65 -0.65 0.00 0.00 175.02 173.84 1nxi s GLN 89 N 1.71 3.66 0.05 4.11 -0.21 -1.26 -1.48 119.66 126.23 1nxi s GLN 89 Ca -0.09 0.06 -0.18 0.00 0.02 0.00 0.00 55.36 55.18 1nxi s GLN 89 Cb -0.07 -3.12 0.06 0.00 1.00 0.00 0.00 33.01 30.88 1nxi s GLN 89 CO -0.17 0.67 0.81 -1.13 -2.12 0.00 0.00 175.29 173.36 1nxi n SER 90 N 1.42 -1.01 -4.59 5.90 3.41 -0.85 -4.96 113.62 112.94 1nxi n SER 90 Ca -0.13 -1.38 -0.43 0.00 -0.26 0.00 0.00 58.87 56.66 1nxi n SER 90 Cb 0.53 1.60 -0.03 0.00 -0.26 0.00 0.00 64.21 66.06 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 -1.71 3.21 -0.95 7.33 0.00 -1.26 -0.45 121.76 127.92 1nxi s ALA 91 Ca 0.19 -0.53 -0.23 0.00 0.00 0.00 0.00 51.96 51.39 1nxi s ALA 91 Cb -0.01 -3.80 -0.24 0.00 0.00 0.00 0.00 23.12 19.06 1nxi s ALA 91 CO 0.02 -2.13 2.49 -0.11 0.00 0.00 0.00 175.76 176.02 1nxi n LEU 92 N 7.57 -0.07 -3.81 0.00 7.94 -1.26 -4.83 117.00 122.54 1nxi n LEU 92 Ca 0.10 -0.18 -0.13 0.00 -1.11 0.00 0.00 56.01 54.70 1nxi n LEU 92 Cb 0.49 -0.87 -0.13 0.00 0.53 0.00 0.00 43.42 43.43 1nxi n LEU 92 CO 0.68 -1.10 -0.20 -1.81 -1.11 0.00 0.00 177.39 173.86 1nxi s ASP 93 N 6.41 -0.15 0.17 1.96 1.11 -1.26 -4.99 116.67 119.91 1nxi s ASP 93 Ca 1.30 0.30 -0.15 0.00 0.18 0.00 0.00 52.55 54.19 1nxi s ASP 93 Cb -1.00 0.29 0.06 0.00 1.07 0.00 0.00 42.92 43.34 1nxi s ASP 93 CO 0.48 -0.07 1.82 0.00 1.18 0.00 0.00 175.17 178.59 1nxi h ALA 94 N 6.13 0.62 -0.21 5.23 0.00 -1.94 -1.03 119.26 128.07 1nxi h ALA 94 Ca -0.28 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.66 1nxi h ALA 94 Cb 1.19 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 1nxi h ALA 94 CO 0.42 0.03 -0.14 0.87 0.00 0.00 0.00 179.25 180.43 1nxi h LYS 95 N 0.63 -0.13 0.49 0.00 1.57 -1.96 0.15 116.57 117.32 1nxi h LYS 95 Ca 0.18 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1nxi h LYS 95 Cb -0.04 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1nxi h LYS 95 CO -0.06 -0.08 -0.24 -0.07 -0.57 0.00 0.00 179.45 178.43 1nxi h LEU 96 N -0.13 -0.56 -1.11 2.94 4.07 -1.81 -1.65 115.31 117.06 1nxi h LEU 96 Ca 0.12 0.02 0.38 0.00 0.08 0.00 0.00 57.88 58.48 1nxi h LEU 96 Cb 0.31 0.14 -0.15 0.00 1.08 0.00 0.00 40.66 42.04 1nxi h LEU 96 CO -0.29 -0.39 0.63 0.40 -1.08 0.00 0.00 178.44 177.72 1nxi h ILE 97 N -0.67 0.17 0.34 1.22 2.04 -1.08 0.30 117.51 119.83 1nxi h ILE 97 Ca -0.07 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 1nxi h ILE 97 Cb 0.50 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1nxi h ILE 97 CO 0.11 0.03 -0.16 0.44 0.00 0.00 0.00 178.15 178.57 1nxi h ASP 98 N 0.16 -0.39 -0.28 1.72 5.19 -0.27 0.33 116.42 122.89 1nxi h ASP 98 Ca 0.79 -0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 57.12 1nxi h ASP 98 Cb 2.08 0.10 -0.01 0.00 0.18 0.00 0.00 39.33 41.68 1nxi h ASP 98 CO -0.60 -0.17 0.11 -0.33 -3.12 0.00 0.00 179.24 175.13 1nxi h GLU 99 N -0.59 0.41 0.10 3.56 5.08 0.40 0.14 114.58 123.68 1nxi h GLU 99 Ca -0.05 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1nxi h GLU 99 Cb 0.43 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1nxi h GLU 99 CO 0.08 0.43 -0.19 1.96 -1.00 0.00 0.00 179.01 180.29 1nxi h GLN 100 N 0.30 -0.34 0.42 2.33 1.08 -0.69 -1.89 115.11 116.33 1nxi h GLN 100 Ca 0.09 0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.29 1nxi h GLN 100 Cb 0.17 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 1nxi h GLN 100 CO -0.01 -0.23 -0.20 0.28 -0.95 0.00 0.00 178.83 177.72 1nxi h VAL 101 N -0.36 0.58 -1.32 -0.54 2.07 -0.83 -2.07 116.25 113.79 1nxi h VAL 101 Ca 0.03 -0.12 0.43 0.00 0.82 0.00 0.00 66.70 67.86 1nxi h VAL 101 Cb 0.38 0.64 -0.13 0.00 -1.52 0.00 0.00 31.29 30.66 1nxi h VAL 101 CO -0.10 0.02 0.85 -0.33 0.02 0.00 0.00 177.57 178.03 1nxi h GLU 102 N -0.64 0.08 0.42 1.57 5.08 -0.54 0.18 114.58 120.74 1nxi h GLU 102 Ca -0.06 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1nxi h GLU 102 Cb 0.47 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1nxi h GLU 102 CO 0.10 0.05 -0.20 0.87 -1.00 0.00 0.00 179.01 178.83 1nxi h LYS 103 N 0.09 -0.55 -0.05 2.33 1.57 -0.64 -2.17 116.57 117.14 1nxi h LYS 103 Ca 0.82 0.04 0.02 0.00 -1.87 0.00 0.00 60.65 59.65 1nxi h LYS 103 Cb 2.57 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 35.01 1nxi h LYS 103 CO -0.42 -0.37 0.36 -0.07 -0.57 0.00 0.00 179.45 178.38 1nxi h LEU 104 N -0.87 0.00 0.11 2.94 3.38 -0.68 -1.51 115.31 118.69 1nxi h LEU 104 Ca -0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1nxi h LEU 104 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1nxi h LEU 104 CO 0.10 0.00 -0.05 0.58 0.09 0.00 0.00 178.44 179.15 1nxi h VAL 105 N 0.00 0.00 -0.40 1.22 2.07 -0.53 -1.71 116.25 116.90 1nxi h VAL 105 Ca 0.03 -0.29 0.08 0.00 0.82 0.00 0.00 66.70 67.34 1nxi h VAL 105 Cb 0.75 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.43 1nxi h VAL 105 CO -0.00 0.00 -0.16 0.78 0.02 0.00 0.00 177.57 178.21 1nxi h ASN 106 N -0.44 -0.55 -0.55 0.57 2.35 -0.90 -0.51 115.58 115.54 1nxi h ASN 106 Ca -0.02 0.14 0.08 0.00 -0.55 0.00 0.00 56.30 55.96 1nxi h ASN 106 Cb 0.12 0.32 -0.06 0.00 0.05 0.00 0.00 38.32 38.74 1nxi h ASN 106 CO 0.03 -0.19 0.20 0.25 -1.65 0.00 0.00 177.43 176.06 1nxi h LEU 107 N -0.08 0.20 0.22 1.61 6.46 -1.42 0.14 115.31 122.44 1nxi h LEU 107 Ca 0.19 0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 58.02 1nxi h LEU 107 Cb 0.38 0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.34 1nxi h LEU 107 CO -0.45 0.13 -0.35 0.00 -0.62 0.00 0.00 178.44 177.15 1nxi h ALA 108 N 1.38 -0.95 -0.90 1.25 0.00 -0.14 -1.32 119.26 118.58 1nxi h ALA 108 Ca 0.27 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.18 1nxi h ALA 108 Cb 0.31 0.66 -0.08 0.00 0.00 0.00 0.00 17.79 18.69 1nxi h ALA 108 CO -0.28 -1.00 0.54 0.93 0.00 0.00 0.00 179.25 179.45 1nxi h GLU 109 N -0.60 0.87 -0.49 0.00 3.07 -1.11 0.15 114.58 116.46 1nxi h GLU 109 Ca -0.03 -0.05 0.14 0.00 -0.50 0.00 0.00 59.36 58.93 1nxi h GLU 109 Cb 0.56 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 28.25 1nxi h GLU 109 CO -0.11 0.57 0.36 0.87 -1.40 0.00 0.00 179.01 179.30 1nxi h LYS 110 N 0.89 0.00 0.00 2.33 1.57 -0.06 -3.30 116.57 118.00 1nxi h LYS 110 Ca 0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 1nxi h LYS 110 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1nxi h LYS 110 CO -0.25 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 179.82 1nxi n PHE 111 N -4.34 0.00 0.00 -1.35 3.01 0.36 -5.04 117.46 110.09 1nxi n PHE 111 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.55 1nxi n PHE 111 Cb 0.58 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 40.00 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 -1.70 0.00 -4.58 4.37 8.00 -0.18 -5.10 116.55 117.36 1nxi n ASP 112 Ca 0.00 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.24 1nxi n ASP 112 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 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 2.26 -0.27 0.53 -4.36 -1.11 -4.66 121.20 113.59 1nxi s ILE 113 Ca 0.00 -2.11 -0.02 0.00 -0.26 0.00 0.00 60.65 58.25 1nxi s ILE 113 Cb 0.00 -2.75 0.03 0.00 1.25 0.00 0.00 42.46 41.00 1nxi s ILE 113 CO 0.00 -0.16 -0.03 -0.51 0.24 0.00 0.00 174.94 174.49 1nxi s ILE 114 N -2.61 3.02 -0.36 8.37 1.10 -1.21 -4.13 121.20 125.37 1nxi s ILE 114 Ca 0.34 -1.12 -0.19 0.00 -0.51 0.00 0.00 60.65 59.16 1nxi s ILE 114 Cb 0.03 -2.61 0.00 0.00 0.15 0.00 0.00 42.46 40.04 1nxi s ILE 114 CO 0.17 0.08 0.54 -0.47 -2.11 0.00 0.00 174.94 173.15 1nxi s TYR 115 N 1.31 3.17 -0.45 3.50 6.14 -1.26 -3.76 117.35 126.00 1nxi s TYR 115 Ca -0.02 0.18 0.05 0.00 0.64 0.00 0.00 57.07 57.92 1nxi s TYR 115 Cb -0.18 -2.99 0.19 0.00 0.42 0.00 0.00 41.96 39.40 1nxi s TYR 115 CO -0.03 -0.58 0.75 0.34 0.64 0.00 0.00 175.55 176.67 1nxi s ASP 116 N 1.78 -1.29 0.00 4.32 -1.08 -1.25 -5.03 116.67 114.13 1nxi s ASP 116 Ca 0.20 -1.14 0.00 0.00 -0.52 0.00 0.00 52.55 51.09 1nxi s ASP 116 Cb -0.15 1.67 0.00 0.00 -1.46 0.00 0.00 42.92 42.97 1nxi s ASP 116 CO 0.14 -0.09 0.00 0.61 0.52 0.00 0.00 175.17 176.35 1nxi n GLY 117 N 3.50 -1.46 3.46 2.66 0.00 -1.26 -4.93 105.19 107.16 1nxi n GLY 117 Ca 0.14 0.78 -0.25 0.00 0.00 0.00 0.00 46.02 46.69 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 2.32 0.00 1.61 1.48 -1.26 -0.47 118.94 122.61 1nxi s TRP 118 Ca 0.00 -0.33 0.00 0.00 -1.06 0.00 0.00 56.10 54.71 1nxi s TRP 118 Cb 0.00 -1.06 0.00 0.00 -1.16 0.00 0.00 33.47 31.25 1nxi s TRP 118 CO 0.00 0.63 0.00 0.41 -4.06 0.00 0.00 176.95 173.93 1nxi n GLY 119 N -0.29 1.32 3.57 3.67 0.00 -0.96 -5.03 105.19 107.48 1nxi n GLY 119 Ca -0.08 -0.60 -0.27 0.00 0.00 0.00 0.00 46.02 45.07 1nxi n GLY 119 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1nxi s THR 120 N -2.00 2.08 0.07 2.61 -1.32 -1.26 -1.52 115.64 114.29 1nxi s THR 120 Ca 0.00 -2.10 0.08 0.00 -1.21 0.00 0.00 61.69 58.45 1nxi s THR 120 Cb 0.00 -2.80 -0.04 0.00 -1.51 0.00 0.00 72.50 68.15 1nxi s THR 120 CO 0.00 -0.11 -0.17 -0.47 -2.21 0.00 0.00 174.62 171.66 1nxi s TYR 121 N -2.69 2.57 0.36 9.09 5.04 -1.24 -5.00 117.35 125.47 1nxi s TYR 121 Ca 0.34 -0.25 -0.28 0.00 -2.44 0.00 0.00 57.07 54.44 1nxi s TYR 121 Cb 0.06 -1.43 -0.11 0.00 0.35 0.00 0.00 41.96 40.84 1nxi s TYR 121 CO 0.17 0.31 1.41 -0.47 -1.34 0.00 0.00 175.55 175.63 1nxi s TYR 122 N -1.02 2.78 -0.47 4.97 5.04 -1.26 -4.70 117.35 122.70 1nxi s TYR 122 Ca 0.16 1.27 -0.15 0.00 -2.44 0.00 0.00 57.07 55.92 1nxi s TYR 122 Cb -0.11 -3.88 0.07 0.00 0.35 0.00 0.00 41.96 38.40 1nxi s TYR 122 CO 0.07 -2.52 0.38 -1.21 -1.34 0.00 0.00 175.55 170.94 1nxi s GLU 123 N -1.98 2.94 0.00 4.97 0.41 -1.26 -4.62 118.70 119.16 1nxi s GLU 123 Ca 0.51 -1.36 0.00 0.00 -0.41 0.00 0.00 54.97 53.71 1nxi s GLU 123 Cb -0.44 -4.09 0.00 0.00 -1.78 0.00 0.00 34.13 27.82 1nxi s GLU 123 CO 0.59 -1.02 0.00 0.41 -0.49 0.00 0.00 175.26 174.75 1nxi n GLY 124 N 5.17 0.77 2.84 -1.39 0.00 -1.26 -4.99 105.19 106.33 1nxi n GLY 124 Ca -0.12 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 1nxi n GLY 124 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nxi n LEU 125 N 0.00 6.66 -0.12 0.99 4.77 -1.26 -4.11 117.00 123.94 1nxi n LEU 125 Ca 0.00 -4.39 0.00 0.00 -0.03 0.00 0.00 56.01 51.59 1nxi n LEU 125 Cb 0.00 -1.57 0.00 0.00 -2.33 0.00 0.00 43.42 39.52 1nxi n LEU 125 CO 0.00 1.20 0.15 -1.84 -1.33 0.00 0.00 177.39 175.57 1nxi n GLU 126 N 5.07 0.00 -2.33 3.23 0.28 -1.26 -4.93 120.64 120.71 1nxi n GLU 126 Ca 0.46 -0.31 -0.33 0.00 -0.16 0.00 0.00 57.16 56.81 1nxi n GLU 126 Cb 0.38 -0.25 0.01 0.00 1.43 0.00 0.00 31.44 33.01 1nxi n GLU 126 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 1nxi n HIS 127 N 0.00 3.26 -4.30 -1.84 -0.00 -1.26 -4.99 115.22 106.09 1nxi n HIS 127 Ca 0.00 -2.85 -0.34 0.00 0.46 0.00 0.00 57.72 54.99 1nxi n HIS 127 Cb 0.52 -0.66 -0.12 0.00 -0.12 0.00 0.00 29.99 29.62 1nxi n HIS 127 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 1nxi s HIS 128 N -3.82 3.07 0.00 1.57 3.76 -1.26 -5.07 115.29 113.54 1nxi s HIS 128 Ca 0.49 -0.24 0.00 0.00 -0.15 0.00 0.00 55.06 55.15 1nxi s HIS 128 Cb 0.38 -1.99 0.00 0.00 1.11 0.00 0.00 32.58 32.08 1nxi s HIS 128 CO -0.27 -0.02 0.00 1.58 -0.85 0.00 0.00 174.74 175.18 1nxi n HIS 129 N 3.60 0.00 -0.93 1.40 -0.00 -1.26 -4.48 115.22 113.55 1nxi n HIS 129 Ca -0.17 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 57.94 1nxi n HIS 129 Cb 0.52 0.00 0.29 0.00 -0.12 0.00 0.00 29.99 30.68 1nxi n HIS 129 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1nxi n HIS 130 N 0.00 2.40 -0.55 1.57 -0.00 -1.26 -4.86 115.22 112.52 1nxi n HIS 130 Ca 0.00 -1.18 0.00 0.00 0.46 0.00 0.00 57.72 57.00 1nxi n HIS 130 Cb 0.00 -0.68 0.00 0.00 -0.12 0.00 0.00 29.99 29.19 1nxi n HIS 130 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1nxi n HIS 131 N -0.16 0.00 0.66 1.57 -0.00 -1.26 -5.32 115.22 110.71 1nxi n HIS 131 Ca 0.40 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.66 1nxi n HIS 131 Cb 1.36 -1.40 0.07 0.00 -0.12 0.00 0.00 29.99 29.89 1nxi n HIS 131 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52