#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nsy h MET 2 N 0.00 0.79 -0.71 -1.46 2.07 -2.04 0.93 114.93 114.51 1nsy h MET 2 Ca 0.00 -0.05 -0.07 0.00 -2.07 0.00 0.00 59.70 57.51 1nsy h MET 2 Cb 0.00 -0.18 -0.03 0.00 -1.87 0.00 0.00 31.60 29.52 1nsy h MET 2 CO 0.00 0.52 0.16 0.37 1.07 0.00 0.00 176.91 179.04 1nsy h GLN 3 N 0.81 1.14 -0.25 1.72 4.15 -1.99 -1.50 115.11 119.19 1nsy h GLN 3 Ca 0.34 -0.28 -0.19 0.00 0.77 0.00 0.00 58.65 59.30 1nsy h GLN 3 Cb 0.21 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.75 1nsy h GLN 3 CO -0.19 1.01 -0.59 1.49 -1.93 0.00 0.00 178.83 178.62 1nsy h GLU 4 N 1.07 0.83 -0.46 1.69 4.81 -1.74 -1.58 114.58 119.21 1nsy h GLU 4 Ca 0.22 -0.55 -0.09 0.00 -0.13 0.00 0.00 59.36 58.81 1nsy h GLU 4 Cb 0.39 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 1nsy h GLU 4 CO 0.00 1.18 -0.07 -0.22 -0.73 0.00 0.00 179.01 179.17 1nsy h LYS 5 N 0.62 0.85 -0.46 1.92 3.64 -0.67 -2.63 116.57 119.85 1nsy h LYS 5 Ca 0.00 -0.31 -0.03 0.00 -1.27 0.00 0.00 60.65 59.04 1nsy h LYS 5 Cb 1.20 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 1nsy h LYS 5 CO 0.13 0.94 0.15 0.82 -2.27 0.00 0.00 179.45 179.22 1nsy h ILE 6 N 0.69 1.22 -0.54 2.00 2.04 -1.22 0.45 117.51 122.15 1nsy h ILE 6 Ca 0.12 -0.73 0.08 0.00 1.00 0.00 0.00 64.86 65.34 1nsy h ILE 6 Cb 0.60 0.84 -0.07 0.00 -0.74 0.00 0.00 36.82 37.45 1nsy h ILE 6 CO 0.04 0.26 0.18 0.24 0.00 0.00 0.00 178.15 178.87 1nsy h MET 7 N 0.60 0.34 -0.27 2.37 2.86 -1.25 -0.20 114.93 119.38 1nsy h MET 7 Ca 0.15 -0.02 -0.16 0.00 -2.06 0.00 0.00 59.70 57.61 1nsy h MET 7 Cb 0.26 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 1nsy h MET 7 CO -0.01 0.22 -0.45 -0.09 1.06 0.00 0.00 176.91 177.65 1nsy h ARG 8 N 0.35 0.77 -0.35 1.72 2.43 -1.11 -1.10 114.38 117.09 1nsy h ARG 8 Ca 0.27 -0.48 -0.03 0.00 -0.81 0.00 0.00 59.98 58.92 1nsy h ARG 8 Cb 0.32 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 1nsy h ARG 8 CO -0.29 1.11 0.07 0.93 -1.51 0.00 0.00 179.97 180.28 1nsy h GLU 9 N 0.52 0.51 0.00 0.20 5.08 -0.51 -2.27 114.58 118.11 1nsy h GLU 9 Ca 0.02 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1nsy h GLU 9 Cb 1.05 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1nsy h GLU 9 CO 0.10 0.49 -0.35 1.28 -1.00 0.00 0.00 179.01 179.53 1nsy n LEU 10 N -4.33 0.37 -0.71 1.33 4.77 -0.12 -4.98 117.00 113.33 1nsy n LEU 10 Ca 0.02 0.18 -0.06 0.00 -0.03 0.00 0.00 56.01 56.12 1nsy n LEU 10 Cb 0.19 -0.32 -0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1nsy n LEU 10 CO 0.38 0.07 -0.07 1.41 -1.33 0.00 0.00 177.39 177.85 1nsy n HIS 11 N -1.56 -0.31 -3.24 -1.77 8.25 -0.47 -3.56 115.22 112.56 1nsy n HIS 11 Ca 0.06 0.02 -0.39 0.00 -0.26 0.00 0.00 57.72 57.15 1nsy n HIS 11 Cb 0.35 -1.85 -0.06 0.00 1.12 0.00 0.00 29.99 29.55 1nsy n HIS 11 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1nsy s VAL 12 N -2.34 4.94 -0.22 1.59 1.01 -0.87 -4.46 120.40 120.05 1nsy s VAL 12 Ca 0.01 1.19 -0.11 0.00 0.00 0.00 0.00 61.98 63.07 1nsy s VAL 12 Cb -0.00 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 1nsy s VAL 12 CO 0.01 0.43 0.18 -0.54 0.00 0.00 0.00 175.10 175.18 1nsy s LYS 13 N -0.22 4.13 0.50 2.72 1.02 -1.26 -4.79 119.74 121.84 1nsy s LYS 13 Ca 0.30 -0.20 0.17 0.00 0.02 0.00 0.00 55.97 56.27 1nsy s LYS 13 Cb -0.18 -3.50 1.22 0.00 -0.52 0.00 0.00 37.83 34.85 1nsy s LYS 13 CO 0.16 0.13 2.09 -1.00 -0.92 0.00 0.00 175.35 175.82 1nsy h PRO 14 N 7.20 0.00 -3.49 -1.68 0.13 -1.89 -3.42 132.00 128.85 1nsy h PRO 14 Ca -0.39 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.48 1nsy h PRO 14 Cb 1.16 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 31.98 1nsy h PRO 14 CO 0.70 0.08 -0.68 0.45 -0.23 0.00 0.00 178.00 178.32 1nsy s SER 15 N -6.91 -0.02 0.30 1.44 0.15 -1.26 -4.98 113.70 102.42 1nsy s SER 15 Ca -0.04 0.12 0.10 0.00 0.70 0.00 0.00 55.95 56.82 1nsy s SER 15 Cb 0.16 0.05 -0.06 0.00 -1.71 0.00 0.00 66.02 64.46 1nsy s SER 15 CO 0.67 -0.09 -0.13 0.27 1.20 0.00 0.00 173.24 175.16 1nsy s ILE 16 N 0.71 2.17 -0.39 6.45 -4.36 -1.26 -5.10 121.20 119.43 1nsy s ILE 16 Ca -0.06 -2.26 -0.03 0.00 -0.26 0.00 0.00 60.65 58.05 1nsy s ILE 16 Cb -0.08 -2.45 0.10 0.00 1.25 0.00 0.00 42.46 41.28 1nsy s ILE 16 CO -0.03 -0.32 0.17 -0.62 0.24 0.00 0.00 174.94 174.39 1nsy s ASP 17 N -3.52 5.19 0.30 4.36 -1.08 -1.26 -5.01 116.67 115.65 1nsy s ASP 17 Ca 0.30 -1.90 0.07 0.00 -0.52 0.00 0.00 52.55 50.50 1nsy s ASP 17 Cb 0.00 -1.81 0.81 0.00 -1.46 0.00 0.00 42.92 40.46 1nsy s ASP 17 CO 0.14 -0.49 1.71 -0.65 0.52 0.00 0.00 175.17 176.40 1nsy h PRO 18 N 8.03 0.45 -0.19 4.34 0.11 -1.98 0.41 132.00 143.17 1nsy h PRO 18 Ca -0.14 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.81 1nsy h PRO 18 Cb 1.05 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1nsy h PRO 18 CO 0.67 0.30 -0.46 -0.22 -0.21 0.00 0.00 178.00 178.08 1nsy h LYS 19 N 0.46 0.49 -0.34 1.05 3.11 -1.97 -1.73 116.57 117.64 1nsy h LYS 19 Ca 0.60 -0.27 -0.12 0.00 -2.81 0.00 0.00 60.65 58.06 1nsy h LYS 19 Cb 1.16 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 32.40 1nsy h LYS 19 CO -0.51 0.85 -0.26 0.37 -2.81 0.00 0.00 179.45 177.09 1nsy h GLN 20 N 0.39 0.77 -0.51 1.90 5.75 -1.61 -2.53 115.11 119.27 1nsy h GLN 20 Ca 0.03 -0.38 0.01 0.00 -0.15 0.00 0.00 58.65 58.16 1nsy h GLN 20 Cb 0.96 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.48 1nsy h GLN 20 CO 0.08 1.00 0.32 0.93 -2.65 0.00 0.00 178.83 178.52 1nsy h GLU 21 N 0.55 0.64 -0.36 1.69 4.39 -0.84 -0.43 114.58 120.20 1nsy h GLU 21 Ca 0.06 -0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.76 1nsy h GLU 21 Cb 0.82 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 29.29 1nsy h GLU 21 CO 0.07 0.42 0.15 0.82 -1.16 0.00 0.00 179.01 179.31 1nsy h ILE 22 N 0.66 0.93 -0.37 3.13 2.04 -1.28 -1.92 117.51 120.68 1nsy h ILE 22 Ca 0.19 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.94 1nsy h ILE 22 Cb -0.05 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 1nsy h ILE 22 CO -0.06 0.06 0.21 -0.33 0.00 0.00 0.00 178.15 178.03 1nsy h GLU 23 N 0.31 0.52 -0.67 2.37 5.08 -0.98 -1.94 114.58 119.27 1nsy h GLU 23 Ca 0.16 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1nsy h GLU 23 Cb 0.11 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1nsy h GLU 23 CO -0.15 0.41 0.43 -0.44 -1.00 0.00 0.00 179.01 178.26 1nsy h ASP 24 N 0.48 0.79 0.50 1.42 3.32 -0.81 -1.09 116.42 121.04 1nsy h ASP 24 Ca 0.13 -0.04 -0.20 0.00 0.02 0.00 0.00 57.03 56.94 1nsy h ASP 24 Cb 0.04 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1nsy h ASP 24 CO -0.02 0.59 -0.89 0.03 -1.72 0.00 0.00 179.24 177.23 1nsy h ARG 25 N 0.91 0.26 -0.09 3.56 3.08 -1.27 -1.11 114.38 119.74 1nsy h ARG 25 Ca 0.24 -0.28 -0.14 0.00 0.07 0.00 0.00 59.98 59.87 1nsy h ARG 25 Cb -0.07 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1nsy h ARG 25 CO -0.05 0.99 -0.57 0.28 -1.07 0.00 0.00 179.97 179.56 1nsy h VAL 26 N 0.15 1.37 -0.25 2.04 2.07 -1.25 -2.72 116.25 117.65 1nsy h VAL 26 Ca -0.05 -1.89 -0.18 0.00 0.82 0.00 0.00 66.70 65.40 1nsy h VAL 26 Cb 1.51 1.93 -0.00 0.00 -1.52 0.00 0.00 31.29 33.21 1nsy h VAL 26 CO 0.14 0.56 -0.55 0.78 0.02 0.00 0.00 177.57 178.52 1nsy h ASN 27 N 0.20 0.86 -0.61 0.57 2.35 -1.06 -2.36 115.58 115.53 1nsy h ASN 27 Ca -0.00 -0.46 0.03 0.00 -0.55 0.00 0.00 56.30 55.31 1nsy h ASN 27 Cb 1.06 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 39.14 1nsy h ASN 27 CO 0.09 1.23 0.38 0.15 -1.65 0.00 0.00 177.43 177.63 1nsy h PHE 28 N 0.59 0.71 -0.80 1.19 3.57 -1.16 0.39 116.94 121.43 1nsy h PHE 28 Ca 0.01 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1nsy h PHE 28 Cb 1.14 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.61 1nsy h PHE 28 CO 0.06 0.41 0.46 -0.07 -2.23 0.00 0.00 178.31 176.94 1nsy h LEU 29 N 0.75 0.98 -0.33 0.59 3.38 -1.37 -0.64 115.31 118.67 1nsy h LEU 29 Ca 0.24 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 58.00 1nsy h LEU 29 Cb 0.01 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1nsy h LEU 29 CO -0.10 0.78 -0.32 0.11 0.09 0.00 0.00 178.44 179.00 1nsy h LYS 30 N 1.10 0.80 -0.11 1.13 1.57 -0.84 -2.94 116.57 117.27 1nsy h LYS 30 Ca 0.28 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1nsy h LYS 30 Cb -0.00 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1nsy h LYS 30 CO -0.05 1.05 0.07 1.96 -0.57 0.00 0.00 179.45 181.91 1nsy h GLN 31 N 0.58 0.15 -0.48 3.15 4.20 0.04 -2.48 115.11 120.26 1nsy h GLN 31 Ca 0.05 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1nsy h GLN 31 Cb 0.89 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.62 1nsy h GLN 31 CO 0.08 0.11 0.27 -0.92 -0.67 0.00 0.00 178.83 177.70 1nsy h TYR 32 N 0.14 0.65 -0.41 2.96 3.20 -1.15 -1.91 116.97 120.45 1nsy h TYR 32 Ca 0.04 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.82 1nsy h TYR 32 Cb -0.01 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.03 1nsy h TYR 32 CO -0.07 0.48 -0.05 -0.24 -1.64 0.00 0.00 178.16 176.64 1nsy h VAL 33 N 0.64 1.24 -0.14 1.81 3.04 -1.52 -2.04 116.25 119.28 1nsy h VAL 33 Ca 0.17 -1.02 -0.04 0.00 -1.01 0.00 0.00 66.70 64.80 1nsy h VAL 33 Cb 0.03 0.98 -0.00 0.00 -2.01 0.00 0.00 31.29 30.29 1nsy h VAL 33 CO -0.03 0.35 -0.08 0.50 -1.01 0.00 0.00 177.57 177.30 1nsy h LYS 34 N 0.65 0.30 -0.62 4.17 3.64 -1.12 -0.88 116.57 122.71 1nsy h LYS 34 Ca 0.12 -0.14 0.07 0.00 -1.27 0.00 0.00 60.65 59.44 1nsy h LYS 34 Cb 0.48 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.23 1nsy h LYS 34 CO 0.02 0.65 0.30 -0.22 -2.27 0.00 0.00 179.45 177.93 1nsy h LYS 35 N -0.05 0.53 0.00 1.90 3.11 -1.11 -2.74 116.57 118.20 1nsy h LYS 35 Ca 0.03 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1nsy h LYS 35 Cb 0.57 -0.12 0.00 0.00 -1.00 0.00 0.00 32.23 31.68 1nsy h LYS 35 CO 0.02 0.35 -0.37 0.25 -2.81 0.00 0.00 179.45 176.89 1nsy n THR 36 N -4.89 0.36 -1.22 1.00 -2.24 -0.79 -4.95 114.28 101.55 1nsy n THR 36 Ca 0.08 -0.22 -0.08 0.00 -2.27 0.00 0.00 64.05 61.56 1nsy n THR 36 Cb 0.21 -0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.15 1nsy n THR 36 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nsy n GLY 37 N 1.36 0.91 3.72 3.38 0.00 -0.34 -5.00 105.19 109.22 1nsy n GLY 37 Ca 0.05 -0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 1nsy n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nsy s ALA 38 N -2.06 1.85 -2.62 4.61 0.00 -1.16 -4.98 121.76 117.40 1nsy s ALA 38 Ca 0.00 0.43 0.26 0.00 0.00 0.00 0.00 51.96 52.65 1nsy s ALA 38 Cb 0.00 -3.36 0.79 0.00 0.00 0.00 0.00 23.12 20.55 1nsy s ALA 38 CO 0.00 -2.28 1.60 1.63 0.00 0.00 0.00 175.76 176.71 1nsy n LYS 39 N -3.89 1.86 -1.41 0.00 5.02 -0.77 -4.89 118.16 114.09 1nsy n LYS 39 Ca 0.10 -1.26 0.00 0.00 -2.02 0.00 0.00 58.31 55.14 1nsy n LYS 39 Cb 0.53 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 1nsy n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nsy n GLY 40 N 1.23 -0.02 3.11 0.72 0.00 -1.26 -1.01 105.19 107.95 1nsy n GLY 40 Ca 0.18 -1.23 -0.08 0.00 0.00 0.00 0.00 46.02 44.89 1nsy n GLY 40 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nsy s PHE 41 N -3.46 0.56 0.02 1.61 0.08 -0.47 -1.00 117.98 115.31 1nsy s PHE 41 Ca 0.00 -1.07 0.02 0.00 0.12 0.00 0.00 56.93 56.01 1nsy s PHE 41 Cb 0.00 -0.38 -0.01 0.00 -0.57 0.00 0.00 43.02 42.06 1nsy s PHE 41 CO 0.00 -0.42 -0.07 0.54 -0.10 0.00 0.00 175.22 175.17 1nsy s VAL 42 N -3.94 0.56 -0.17 -0.44 0.11 -0.16 -1.80 120.40 114.55 1nsy s VAL 42 Ca 0.10 -0.60 -0.18 0.00 -2.93 0.00 0.00 61.98 58.37 1nsy s VAL 42 Cb 0.08 -0.53 0.05 0.00 -1.53 0.00 0.00 36.38 34.45 1nsy s VAL 42 CO -0.08 -0.05 0.49 -0.22 -3.33 0.00 0.00 175.10 171.92 1nsy s LEU 43 N -0.72 0.11 -0.04 2.54 2.96 -0.98 -1.79 118.68 120.77 1nsy s LEU 43 Ca -0.02 0.94 -0.30 0.00 -0.22 0.00 0.00 54.13 54.53 1nsy s LEU 43 Cb -0.05 1.72 -0.03 0.00 0.50 0.00 0.00 46.19 48.32 1nsy s LEU 43 CO 0.00 -0.21 1.17 -0.83 -1.32 0.00 0.00 176.35 175.17 1nsy s GLY 44 N 0.11 2.21 -0.40 7.98 0.00 -1.26 -1.59 107.32 114.37 1nsy s GLY 44 Ca -0.01 0.62 -0.10 0.00 0.00 0.00 0.00 44.72 45.23 1nsy s GLY 44 CO 0.01 2.14 0.24 -0.42 0.00 0.00 0.00 173.10 175.07 1nsy s ILE 45 N 1.99 4.45 -0.25 0.90 -1.09 0.07 -4.86 121.20 122.41 1nsy s ILE 45 Ca 0.55 -1.11 0.21 0.00 -2.23 0.00 0.00 60.65 58.07 1nsy s ILE 45 Cb -0.24 -3.60 0.05 0.00 -1.58 0.00 0.00 42.46 37.09 1nsy s ILE 45 CO 0.23 -0.37 1.16 0.77 -1.23 0.00 0.00 174.94 175.49 1nsy h SER 46 N 8.44 0.00 0.00 3.58 4.64 -1.91 -3.42 113.55 124.89 1nsy h SER 46 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1nsy h SER 46 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1nsy h SER 46 CO 0.72 0.15 0.00 0.61 -0.87 0.00 0.00 176.83 177.44 1nsy n GLY 47 N 1.21 0.65 4.01 -0.77 0.00 -1.26 -4.57 105.19 104.46 1nsy n GLY 47 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1nsy n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nsy s GLY 48 N -1.33 1.83 0.14 -0.02 0.00 -1.26 -4.61 107.32 102.07 1nsy s GLY 48 Ca 0.00 -1.77 -0.17 0.00 0.00 0.00 0.00 44.72 42.77 1nsy s GLY 48 CO 0.00 -1.42 1.80 -1.61 0.00 0.00 0.00 173.10 171.86 1nsy h GLN 49 N 0.21 0.41 0.01 2.90 4.15 -1.97 -2.98 115.11 117.85 1nsy h GLN 49 Ca -0.36 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.03 1nsy h GLN 49 Cb 1.28 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.88 1nsy h GLN 49 CO 0.44 0.27 -0.01 -0.44 -1.93 0.00 0.00 178.83 177.17 1nsy h ASP 50 N 0.42 -0.01 0.52 -0.69 3.32 -1.94 -2.05 116.42 115.99 1nsy h ASP 50 Ca 0.12 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 1nsy h ASP 50 Cb -0.03 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 1nsy h ASP 50 CO -0.04 0.14 -0.14 0.77 -1.72 0.00 0.00 179.24 178.26 1nsy h SER 51 N -0.17 0.00 -0.16 6.45 4.64 -1.89 -0.67 113.55 121.75 1nsy h SER 51 Ca -0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 1nsy h SER 51 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1nsy h SER 51 CO 0.00 0.14 -0.46 0.74 -0.87 0.00 0.00 176.83 176.39 1nsy h THR 52 N 0.00 1.34 0.22 2.95 2.02 -1.34 -0.72 112.91 117.38 1nsy h THR 52 Ca -0.00 -1.72 -0.01 0.00 0.77 0.00 0.00 66.41 65.45 1nsy h THR 52 Cb 0.44 2.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.85 1nsy h THR 52 CO 0.02 0.53 -0.11 0.25 0.37 0.00 0.00 175.52 176.58 1nsy h LEU 53 N 0.24 -0.25 -1.01 2.58 5.85 -0.86 -1.92 115.31 119.94 1nsy h LEU 53 Ca -0.01 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 1nsy h LEU 53 Cb 1.07 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 42.13 1nsy h LEU 53 CO 0.10 0.01 0.47 0.00 -0.34 0.00 0.00 178.44 178.68 1nsy h ALA 54 N 0.21 1.24 -0.79 1.25 0.00 -1.19 -1.60 119.26 118.39 1nsy h ALA 54 Ca -0.03 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1nsy h ALA 54 Cb 0.39 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1nsy h ALA 54 CO 0.05 0.62 0.32 0.78 0.00 0.00 0.00 179.25 181.01 1nsy h GLY 55 N 1.19 1.26 1.42 0.00 0.00 -1.10 -0.94 103.07 104.90 1nsy h GLY 55 Ca 0.30 -0.68 -0.14 0.00 0.00 0.00 0.00 47.33 46.81 1nsy h GLY 55 CO -0.05 0.64 -0.42 -0.09 0.00 0.00 0.00 176.54 176.62 1nsy h ARG 56 N 1.14 0.63 -0.71 4.80 9.65 -0.53 -1.69 114.38 127.68 1nsy h ARG 56 Ca 0.26 -0.33 -0.02 0.00 -1.10 0.00 0.00 59.98 58.80 1nsy h ARG 56 Cb 0.21 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.77 1nsy h ARG 56 CO -0.02 0.93 0.38 -0.07 2.80 0.00 0.00 179.97 183.99 1nsy h LEU 57 N 0.52 0.89 -0.02 3.80 3.38 -0.98 -0.83 115.31 122.06 1nsy h LEU 57 Ca 0.04 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1nsy h LEU 57 Cb 0.94 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1nsy h LEU 57 CO 0.08 0.74 0.01 0.00 0.09 0.00 0.00 178.44 179.36 1nsy h ALA 58 N 1.19 0.03 -0.89 1.53 0.00 -0.94 0.94 119.26 121.11 1nsy h ALA 58 Ca 0.25 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1nsy h ALA 58 Cb 0.05 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 1nsy h ALA 58 CO -0.04 -0.40 0.56 0.37 0.00 0.00 0.00 179.25 179.74 1nsy h GLN 59 N -0.10 0.99 -0.65 0.00 5.75 -1.11 -1.64 115.11 118.35 1nsy h GLN 59 Ca 0.01 -0.06 -0.08 0.00 -0.15 0.00 0.00 58.65 58.37 1nsy h GLN 59 Cb 0.14 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 28.44 1nsy h GLN 59 CO -0.00 0.66 0.09 -0.07 -2.65 0.00 0.00 178.83 176.86 1nsy h LEU 60 N 1.02 1.03 -0.66 -2.39 3.38 -0.49 -2.36 115.31 114.83 1nsy h LEU 60 Ca 0.39 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 1nsy h LEU 60 Cb 0.17 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1nsy h LEU 60 CO -0.17 1.03 0.09 0.00 0.09 0.00 0.00 178.44 179.47 1nsy h ALA 61 N 1.09 0.88 0.00 1.53 0.00 0.07 -2.03 119.26 120.80 1nsy h ALA 61 Ca 0.20 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 1nsy h ALA 61 Cb 0.45 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1nsy h ALA 61 CO 0.01 0.66 -0.63 -0.39 0.00 0.00 0.00 179.25 178.91 1nsy h VAL 62 N 1.02 1.37 -0.18 0.00 -1.51 -1.28 0.69 116.25 116.37 1nsy h VAL 62 Ca 0.20 -2.21 -0.14 0.00 -1.23 0.00 0.00 66.70 63.32 1nsy h VAL 62 Cb 0.46 2.22 -0.01 0.00 -2.13 0.00 0.00 31.29 31.83 1nsy h VAL 62 CO 0.02 0.62 -0.47 -0.33 -1.23 0.00 0.00 177.57 176.17 1nsy h GLU 63 N 0.00 0.46 -0.16 5.19 5.08 -1.28 -1.81 114.58 122.07 1nsy h GLU 63 Ca -0.01 -0.26 -0.19 0.00 -1.00 0.00 0.00 59.36 57.90 1nsy h GLU 63 Cb 1.17 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1nsy h GLU 63 CO 0.08 0.84 -0.68 1.03 -1.00 0.00 0.00 179.01 179.27 1nsy h SER 64 N 0.37 0.74 0.27 1.42 0.87 -0.95 -2.08 113.55 114.19 1nsy h SER 64 Ca 0.02 -0.45 -0.01 0.00 -1.23 0.00 0.00 61.79 60.12 1nsy h SER 64 Cb 0.97 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 1nsy h SER 64 CO 0.08 1.21 -0.17 0.40 -0.53 0.00 0.00 176.83 177.83 1nsy h ILE 65 N 0.45 0.64 0.00 2.23 2.04 -0.73 -2.59 117.51 119.56 1nsy h ILE 65 Ca -0.02 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 1nsy h ILE 65 Cb 1.27 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 37.99 1nsy h ILE 65 CO 0.13 0.00 -0.01 0.03 0.00 0.00 0.00 178.15 178.30 1nsy h ARG 66 N -0.43 0.00 -0.35 2.37 3.08 -1.28 -1.68 114.38 116.08 1nsy h ARG 66 Ca -0.02 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.89 1nsy h ARG 66 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1nsy h ARG 66 CO 0.02 0.01 -0.31 0.93 -1.07 0.00 0.00 179.97 179.55 1nsy h GLU 67 N 0.00 0.84 0.00 0.04 5.08 -0.99 -2.54 114.58 117.00 1nsy h GLU 67 Ca -0.00 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1nsy h GLU 67 Cb 0.03 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1nsy h GLU 67 CO 0.00 1.07 0.00 0.39 -1.00 0.00 0.00 179.01 179.47 1nsy n GLU 68 N -4.17 0.83 -0.23 2.33 1.02 -0.80 -4.84 120.64 114.78 1nsy n GLU 68 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1nsy n GLU 68 Cb 0.50 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.65 1nsy n GLU 68 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nsy n GLY 69 N 0.52 0.79 2.62 0.62 0.00 -0.96 -5.09 105.19 103.69 1nsy n GLY 69 Ca 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 1nsy n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nsy n GLY 70 N -2.15 -1.00 2.91 -0.02 0.00 -0.70 -4.96 105.19 99.26 1nsy n GLY 70 Ca 0.00 -1.76 -0.22 0.00 0.00 0.00 0.00 46.02 44.04 1nsy n GLY 70 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nsy s ASP 71 N -4.20 1.39 0.00 1.61 2.15 -1.26 -4.14 116.67 112.23 1nsy s ASP 71 Ca 0.50 -0.18 -0.28 0.00 0.43 0.00 0.00 52.55 53.02 1nsy s ASP 71 Cb -0.02 -0.59 0.09 0.00 -0.30 0.00 0.00 42.92 42.11 1nsy s ASP 71 CO 0.35 -0.06 0.76 0.00 -0.17 0.00 0.00 175.17 176.05 1nsy s ALA 72 N 1.12 -1.76 0.13 3.66 0.00 -1.26 -4.84 121.76 118.80 1nsy s ALA 72 Ca -0.07 1.04 -0.09 0.00 0.00 0.00 0.00 51.96 52.84 1nsy s ALA 72 Cb -0.14 0.25 -0.00 0.00 0.00 0.00 0.00 23.12 23.22 1nsy s ALA 72 CO -0.01 -0.56 0.25 1.14 0.00 0.00 0.00 175.76 176.58 1nsy s GLN 73 N -2.43 1.01 -0.11 0.00 -2.07 -0.18 -4.89 119.66 110.99 1nsy s GLN 73 Ca -0.02 -1.05 -0.01 0.00 -1.82 0.00 0.00 55.36 52.47 1nsy s GLN 73 Cb -0.01 0.37 0.03 0.00 -1.09 0.00 0.00 33.01 32.31 1nsy s GLN 73 CO -0.03 -0.35 -0.07 0.12 -1.32 0.00 0.00 175.29 173.64 1nsy s PHE 74 N -3.91 1.40 -0.23 9.60 5.36 -1.26 -1.37 117.98 127.58 1nsy s PHE 74 Ca 0.11 -0.70 -0.06 0.00 -0.96 0.00 0.00 56.93 55.32 1nsy s PHE 74 Cb 0.04 -1.19 -0.02 0.00 -0.34 0.00 0.00 43.02 41.51 1nsy s PHE 74 CO -0.06 -0.50 0.02 0.42 -1.46 0.00 0.00 175.22 173.64 1nsy s ILE 75 N 1.73 3.90 -0.18 3.12 1.01 -0.74 -2.01 121.20 128.04 1nsy s ILE 75 Ca 0.05 -0.31 -0.11 0.00 0.00 0.00 0.00 60.65 60.27 1nsy s ILE 75 Cb -0.13 -2.80 -0.05 0.00 0.01 0.00 0.00 42.46 39.50 1nsy s ILE 75 CO -0.08 0.39 0.20 0.00 0.00 0.00 0.00 174.94 175.44 1nsy s ALA 76 N 1.46 3.66 -0.05 9.38 0.00 -0.31 -2.31 121.76 133.59 1nsy s ALA 76 Ca 0.05 -0.59 0.03 0.00 0.00 0.00 0.00 51.96 51.46 1nsy s ALA 76 Cb -0.15 -2.25 0.00 0.00 0.00 0.00 0.00 23.12 20.73 1nsy s ALA 76 CO 0.01 0.16 -0.14 0.54 0.00 0.00 0.00 175.76 176.32 1nsy s VAL 77 N 0.32 1.24 -0.03 0.00 0.11 -0.62 -0.15 120.40 121.28 1nsy s VAL 77 Ca 0.12 -0.58 -0.21 0.00 -2.93 0.00 0.00 61.98 58.37 1nsy s VAL 77 Cb -0.12 -1.10 -0.05 0.00 -1.53 0.00 0.00 36.38 33.59 1nsy s VAL 77 CO 0.01 0.37 0.61 -0.13 -3.33 0.00 0.00 175.10 172.62 1nsy s ARG 78 N 0.31 4.35 -0.49 1.54 1.81 -0.26 -0.75 118.95 125.46 1nsy s ARG 78 Ca -0.08 0.74 0.08 0.00 -1.72 0.00 0.00 55.73 54.74 1nsy s ARG 78 Cb -0.13 -3.38 0.35 0.00 -0.45 0.00 0.00 34.95 31.35 1nsy s ARG 78 CO 0.03 0.27 0.89 1.28 -0.68 0.00 0.00 175.30 177.08 1nsy n LEU 79 N 3.10 3.15 -4.76 2.53 4.77 -1.26 -1.58 117.00 122.94 1nsy n LEU 79 Ca -0.05 -5.34 -0.36 0.00 -0.03 0.00 0.00 56.01 50.22 1nsy n LEU 79 Cb 0.51 -0.08 0.01 0.00 -2.33 0.00 0.00 43.42 41.54 1nsy n LEU 79 CO 0.44 2.29 0.84 -2.16 -1.33 0.00 0.00 177.39 177.47 1nsy s PRO 80 N -3.12 3.33 -0.96 3.23 0.04 -1.25 -4.75 135.00 131.51 1nsy s PRO 80 Ca 0.45 1.80 -0.09 0.00 0.04 0.00 0.00 61.00 63.20 1nsy s PRO 80 Cb 0.32 -2.13 0.24 0.00 0.04 0.00 0.00 34.50 32.98 1nsy s PRO 80 CO -0.12 -0.91 0.91 -1.58 0.04 0.00 0.00 177.00 175.35 1nsy s HIS 81 N -1.59 4.01 0.00 0.56 2.46 -1.26 -2.19 115.29 117.27 1nsy s HIS 81 Ca 0.71 -2.56 0.00 0.00 0.47 0.00 0.00 55.06 53.68 1nsy s HIS 81 Cb -0.29 -3.69 0.00 0.00 -0.13 0.00 0.00 32.58 28.47 1nsy s HIS 81 CO 0.33 -0.92 0.00 0.41 -2.47 0.00 0.00 174.74 172.10 1nsy n GLY 82 N 3.04 1.75 3.61 1.59 0.00 -1.26 -4.65 105.19 109.27 1nsy n GLY 82 Ca 0.20 -0.54 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 1nsy n GLY 82 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nsy s THR 83 N 0.00 5.18 -0.07 2.61 2.01 -1.26 -5.04 115.64 119.07 1nsy s THR 83 Ca 0.00 0.56 -0.23 0.00 0.31 0.00 0.00 61.69 62.33 1nsy s THR 83 Cb 0.00 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 1nsy s THR 83 CO 0.00 0.16 0.67 -1.58 -0.69 0.00 0.00 174.62 173.18 1nsy s GLN 84 N 2.04 4.42 0.41 4.92 0.74 -1.26 -4.96 119.66 125.97 1nsy s GLN 84 Ca 0.15 0.83 0.08 0.00 0.05 0.00 0.00 55.36 56.46 1nsy s GLN 84 Cb -0.16 -3.44 0.86 0.00 1.10 0.00 0.00 33.01 31.37 1nsy s GLN 84 CO 0.10 0.09 2.02 0.37 -0.55 0.00 0.00 175.29 177.33 1nsy h GLN 85 N 6.69 0.44 -0.82 1.67 4.15 -1.96 -2.71 115.11 122.56 1nsy h GLN 85 Ca -0.41 -0.04 -0.56 0.00 0.77 0.00 0.00 58.65 58.40 1nsy h GLN 85 Cb 1.20 -0.09 -0.32 0.00 0.21 0.00 0.00 27.48 28.47 1nsy h GLN 85 CO 0.75 0.35 0.10 -0.40 -1.93 0.00 0.00 178.83 177.70 1nsy n ASP 86 N -4.43 5.80 -0.24 -0.69 5.75 -1.26 -4.69 116.55 116.80 1nsy n ASP 86 Ca 0.02 -3.77 0.25 0.00 -0.01 0.00 0.00 54.79 51.28 1nsy n ASP 86 Cb 0.11 -0.69 0.62 0.00 -1.03 0.00 0.00 41.12 40.14 1nsy n ASP 86 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1nsy h GLU 87 N 1.89 0.19 -0.64 0.11 4.57 -1.86 0.75 114.58 119.60 1nsy h GLU 87 Ca 0.47 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.61 1nsy h GLU 87 Cb 1.30 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.81 1nsy h GLU 87 CO 1.11 0.13 0.26 -0.44 -1.18 0.00 0.00 179.01 178.88 1nsy h ASP 88 N 0.20 0.85 0.14 1.04 5.19 -1.87 -0.08 116.42 121.89 1nsy h ASP 88 Ca 0.48 -0.11 -0.11 0.00 -0.62 0.00 0.00 57.03 56.67 1nsy h ASP 88 Cb 1.55 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 40.83 1nsy h ASP 88 CO -0.11 0.75 -0.40 0.44 -3.12 0.00 0.00 179.24 176.80 1nsy h ASP 89 N 0.91 0.35 0.03 6.45 3.32 -1.19 -2.19 116.42 124.11 1nsy h ASP 89 Ca 0.22 -0.15 -0.13 0.00 0.02 0.00 0.00 57.03 56.98 1nsy h ASP 89 Cb 0.17 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1nsy h ASP 89 CO -0.02 0.72 -0.44 0.00 -1.72 0.00 0.00 179.24 177.78 1nsy h ALA 90 N 1.30 0.87 -0.17 3.45 0.00 -1.26 0.23 119.26 123.68 1nsy h ALA 90 Ca 0.03 -0.45 -0.15 0.00 0.00 0.00 0.00 54.91 54.33 1nsy h ALA 90 Cb 0.83 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1nsy h ALA 90 CO 0.07 0.65 -0.53 1.96 0.00 0.00 0.00 179.25 181.40 1nsy h GLN 91 N 0.40 0.50 -0.46 0.00 1.08 -0.88 -1.88 115.11 113.87 1nsy h GLN 91 Ca 0.03 -0.30 -0.05 0.00 -1.45 0.00 0.00 58.65 56.87 1nsy h GLN 91 Cb 0.93 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.37 1nsy h GLN 91 CO 0.08 0.90 0.08 1.25 -0.95 0.00 0.00 178.83 180.19 1nsy h LEU 92 N 0.39 0.73 -0.66 1.46 5.85 -1.05 -2.10 115.31 119.93 1nsy h LEU 92 Ca 0.01 -0.26 0.05 0.00 0.84 0.00 0.00 57.88 58.52 1nsy h LEU 92 Cb 1.05 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.84 1nsy h LEU 92 CO 0.10 0.80 0.38 0.00 -0.34 0.00 0.00 178.44 179.38 1nsy h ALA 93 N 0.96 0.87 -0.78 1.25 0.00 -0.29 -1.24 119.26 120.03 1nsy h ALA 93 Ca 0.14 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1nsy h ALA 93 Cb 0.38 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1nsy h ALA 93 CO 0.01 0.08 0.40 -0.07 0.00 0.00 0.00 179.25 179.67 1nsy h LEU 94 N 0.71 0.99 -1.23 0.00 3.38 -1.10 0.26 115.31 118.32 1nsy h LEU 94 Ca 0.29 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 1nsy h LEU 94 Cb 0.13 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1nsy h LEU 94 CO -0.16 0.82 -0.06 0.11 0.09 0.00 0.00 178.44 179.23 1nsy h LYS 95 N 1.10 0.45 0.09 1.13 1.57 -0.91 0.25 116.57 120.25 1nsy h LYS 95 Ca 0.27 -0.11 -0.21 0.00 -1.87 0.00 0.00 60.65 58.73 1nsy h LYS 95 Cb 0.07 -0.06 0.02 0.00 0.08 0.00 0.00 32.23 32.34 1nsy h LYS 95 CO -0.04 0.53 -0.89 0.35 -0.57 0.00 0.00 179.45 178.83 1nsy h PHE 96 N 0.43 0.72 -0.51 -1.35 3.57 -0.33 -3.36 116.94 116.12 1nsy h PHE 96 Ca 0.09 -0.46 -0.08 0.00 3.53 0.00 0.00 57.97 61.05 1nsy h PHE 96 Cb 0.39 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 1nsy h PHE 96 CO 0.01 1.31 0.01 0.82 -2.23 0.00 0.00 178.31 178.24 1nsy h ILE 97 N -0.08 1.26 -5.64 1.41 2.04 -0.33 -3.48 117.51 112.69 1nsy h ILE 97 Ca -0.14 -1.07 -0.30 0.00 1.00 0.00 0.00 64.86 64.36 1nsy h ILE 97 Cb 1.63 0.95 0.17 0.00 -0.74 0.00 0.00 36.82 38.83 1nsy h ILE 97 CO 0.17 0.38 -0.88 0.29 0.00 0.00 0.00 178.15 178.11 1nsy n LYS 98 N -4.32 -2.05 -1.63 2.37 5.02 0.06 -4.85 118.16 112.76 1nsy n LYS 98 Ca 0.01 0.77 -0.32 0.00 -2.02 0.00 0.00 58.31 56.75 1nsy n LYS 98 Cb 0.31 -5.42 0.05 0.00 -0.02 0.00 0.00 35.03 29.95 1nsy n LYS 98 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1nsy s PRO 99 N -4.79 2.85 0.23 1.97 0.04 -1.26 -4.96 135.00 129.08 1nsy s PRO 99 Ca 0.46 1.11 -0.08 0.00 0.04 0.00 0.00 61.00 62.52 1nsy s PRO 99 Cb -0.09 -1.97 0.21 0.00 0.04 0.00 0.00 34.50 32.69 1nsy s PRO 99 CO 0.77 -1.18 1.90 -0.44 0.04 0.00 0.00 177.00 178.09 1nsy h ASP 100 N -0.47 0.97 -4.24 6.66 3.32 -1.90 -3.43 116.42 117.33 1nsy h ASP 100 Ca -0.45 -0.02 -0.28 0.00 0.02 0.00 0.00 57.03 56.30 1nsy h ASP 100 Cb 1.22 -0.24 -0.26 0.00 0.22 0.00 0.00 39.33 40.28 1nsy h ASP 100 CO 0.55 0.70 -0.74 -0.54 -1.72 0.00 0.00 179.24 177.50 1nsy s LYS 101 N -6.13 0.39 -0.10 3.56 1.02 -0.85 -5.02 119.74 112.60 1nsy s LYS 101 Ca -0.13 -0.37 0.00 0.00 0.02 0.00 0.00 55.97 55.49 1nsy s LYS 101 Cb 0.16 -0.27 0.02 0.00 -0.52 0.00 0.00 37.83 37.22 1nsy s LYS 101 CO 0.80 0.06 -0.09 -1.12 -0.92 0.00 0.00 175.35 174.08 1nsy s SER 102 N -0.66 2.12 0.48 2.83 0.01 -1.26 -1.16 113.70 116.05 1nsy s SER 102 Ca -0.03 -0.32 0.04 0.00 1.31 0.00 0.00 55.95 56.95 1nsy s SER 102 Cb -0.05 -0.87 -0.03 0.00 0.21 0.00 0.00 66.02 65.29 1nsy s SER 102 CO -0.00 -0.08 0.06 0.26 0.41 0.00 0.00 173.24 173.90 1nsy s TRP 103 N 1.42 2.09 -0.02 2.43 0.52 0.79 -4.97 118.94 121.20 1nsy s TRP 103 Ca 0.00 -0.83 -0.02 0.00 0.02 0.00 0.00 56.10 55.27 1nsy s TRP 103 Cb -0.13 -1.72 0.01 0.00 -1.15 0.00 0.00 33.47 30.47 1nsy s TRP 103 CO -0.05 0.21 0.06 0.21 0.02 0.00 0.00 176.95 177.40 1nsy s LYS 104 N -3.88 0.07 -0.14 4.98 2.20 -1.26 -1.11 119.74 120.60 1nsy s LYS 104 Ca 0.20 0.10 -0.04 0.00 -0.36 0.00 0.00 55.97 55.86 1nsy s LYS 104 Cb 0.04 0.02 0.07 0.00 -1.51 0.00 0.00 37.83 36.44 1nsy s LYS 104 CO 0.11 -0.02 0.21 0.12 -0.36 0.00 0.00 175.35 175.41 1nsy s PHE 105 N 0.10 -0.27 -0.28 4.03 2.19 -0.62 -4.95 117.98 118.19 1nsy s PHE 105 Ca -0.01 0.56 -0.20 0.00 0.33 0.00 0.00 56.93 57.61 1nsy s PHE 105 Cb -0.01 -0.24 -0.01 0.00 -1.31 0.00 0.00 43.02 41.44 1nsy s PHE 105 CO -0.00 -0.41 0.62 0.34 1.83 0.00 0.00 175.22 177.60 1nsy s ASP 106 N 2.34 6.53 0.00 6.13 -1.08 -1.26 -3.95 116.67 125.38 1nsy s ASP 106 Ca 0.04 0.55 0.28 0.00 -0.52 0.00 0.00 52.55 52.90 1nsy s ASP 106 Cb -0.13 -2.33 1.40 0.00 -1.46 0.00 0.00 42.92 40.40 1nsy s ASP 106 CO -0.09 -0.42 1.93 2.30 0.52 0.00 0.00 175.17 179.41 1nsy n ILE 107 N 5.30 0.02 -0.29 4.11 -5.35 -0.93 -4.48 119.36 117.73 1nsy n ILE 107 Ca -0.01 -0.12 -0.05 0.00 -0.27 0.00 0.00 62.75 62.30 1nsy n ILE 107 Cb 0.49 -0.05 0.07 0.00 -1.74 0.00 0.00 39.64 38.40 1nsy n ILE 107 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1nsy h LYS 108 N 1.01 1.11 -0.08 6.28 3.64 -1.91 -2.03 116.57 124.59 1nsy h LYS 108 Ca 0.00 -0.14 -0.10 0.00 -1.27 0.00 0.00 60.65 59.14 1nsy h LYS 108 Cb 0.22 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1nsy h LYS 108 CO 0.00 0.83 -0.42 0.66 -2.27 0.00 0.00 179.45 178.26 1nsy h SER 109 N 1.10 0.17 -0.27 4.20 4.64 -1.98 -0.23 113.55 121.18 1nsy h SER 109 Ca 0.28 -0.07 -0.15 0.00 -0.47 0.00 0.00 61.79 61.37 1nsy h SER 109 Cb 0.06 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1nsy h SER 109 CO -0.04 0.58 -0.42 0.74 -0.87 0.00 0.00 176.83 176.81 1nsy h THR 110 N 0.14 1.30 -0.20 2.95 2.02 -1.82 -1.02 112.91 116.28 1nsy h THR 110 Ca 0.01 -1.62 -0.13 0.00 0.77 0.00 0.00 66.41 65.45 1nsy h THR 110 Cb 0.80 1.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.87 1nsy h THR 110 CO 0.06 0.52 -0.42 0.58 0.37 0.00 0.00 175.52 176.63 1nsy h VAL 111 N 0.50 1.31 -0.13 3.16 2.07 -1.20 -1.37 116.25 120.59 1nsy h VAL 111 Ca 0.02 -1.59 -0.22 0.00 0.82 0.00 0.00 66.70 65.74 1nsy h VAL 111 Cb 1.02 1.61 0.01 0.00 -1.52 0.00 0.00 31.29 32.41 1nsy h VAL 111 CO 0.10 0.49 -0.80 0.28 0.02 0.00 0.00 177.57 177.66 1nsy h SER 112 N 0.39 0.86 -0.72 0.57 0.02 -0.98 -1.43 113.55 112.26 1nsy h SER 112 Ca 0.03 -0.57 -0.03 0.00 -0.84 0.00 0.00 61.79 60.38 1nsy h SER 112 Cb 0.90 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.15 1nsy h SER 112 CO 0.08 1.37 0.35 0.00 -1.14 0.00 0.00 176.83 177.49 1nsy h ALA 113 N 0.61 1.23 -0.25 3.77 0.00 -0.96 -0.67 119.26 122.99 1nsy h ALA 113 Ca -0.06 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1nsy h ALA 113 Cb 1.42 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1nsy h ALA 113 CO 0.16 0.59 -0.01 0.35 0.00 0.00 0.00 179.25 180.34 1nsy h PHE 114 N 1.05 0.50 -0.13 0.00 3.04 -1.14 -2.53 116.94 117.73 1nsy h PHE 114 Ca 0.26 -0.09 -0.08 0.00 3.98 0.00 0.00 57.97 62.03 1nsy h PHE 114 Cb 0.11 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.48 1nsy h PHE 114 CO 0.01 0.63 -0.28 0.77 -2.02 0.00 0.00 178.31 177.42 1nsy h SER 115 N 0.23 0.24 -0.04 0.41 0.02 -1.01 -1.14 113.55 112.25 1nsy h SER 115 Ca 0.07 -0.08 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 1nsy h SER 115 Cb 0.44 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1nsy h SER 115 CO 0.02 0.53 -0.46 0.44 -1.14 0.00 0.00 176.83 176.21 1nsy h ASP 116 N 0.22 0.63 -0.28 3.07 5.19 -0.94 -2.71 116.42 121.61 1nsy h ASP 116 Ca 0.03 -0.31 -0.16 0.00 -0.62 0.00 0.00 57.03 55.98 1nsy h ASP 116 Cb 0.62 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.94 1nsy h ASP 116 CO 0.04 1.00 -0.42 -0.61 -3.12 0.00 0.00 179.24 176.13 1nsy h GLN 117 N 0.47 0.83 -0.13 3.56 5.75 -1.19 -1.07 115.11 123.33 1nsy h GLN 117 Ca 0.03 -0.45 0.03 0.00 -0.15 0.00 0.00 58.65 58.11 1nsy h GLN 117 Cb 0.99 0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.52 1nsy h GLN 117 CO 0.09 1.09 -0.09 -0.92 -2.65 0.00 0.00 178.83 176.35 1nsy h TYR 118 N 0.67 -0.23 -0.30 3.99 3.20 -1.06 0.40 116.97 123.65 1nsy h TYR 118 Ca 0.05 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.82 1nsy h TYR 118 Cb 1.00 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.38 1nsy h TYR 118 CO 0.06 -0.14 -0.30 0.37 -1.64 0.00 0.00 178.16 176.51 1nsy h GLN 119 N -0.10 0.62 -0.57 1.82 4.15 -1.39 0.29 115.11 119.93 1nsy h GLN 119 Ca 0.08 -0.27 -0.08 0.00 0.77 0.00 0.00 58.65 59.15 1nsy h GLN 119 Cb 0.22 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 1nsy h GLN 119 CO -0.19 0.84 0.03 0.37 -1.93 0.00 0.00 178.83 177.95 1nsy h GLN 120 N 0.53 0.96 0.01 1.69 4.15 -0.30 0.23 115.11 122.39 1nsy h GLN 120 Ca 0.07 -0.27 -0.04 0.00 0.77 0.00 0.00 58.65 59.17 1nsy h GLN 120 Cb 0.78 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.37 1nsy h GLN 120 CO 0.06 0.93 -0.18 0.93 -1.93 0.00 0.00 178.83 178.64 1nsy h GLU 121 N 0.89 0.10 0.00 1.69 4.39 0.19 -3.38 114.58 118.46 1nsy h GLU 121 Ca 0.17 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1nsy h GLU 121 Cb 0.48 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1nsy h GLU 121 CO 0.02 0.95 -1.25 0.25 -1.16 0.00 0.00 179.01 177.82 1nsy n THR 122 N -4.54 0.13 -0.39 1.13 -2.24 0.97 -4.95 114.28 104.40 1nsy n THR 122 Ca -0.10 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1nsy n THR 122 Cb 0.50 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 1nsy n THR 122 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nsy n GLY 123 N 1.35 2.03 3.97 3.38 0.00 0.80 -4.99 105.19 111.73 1nsy n GLY 123 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 1nsy n GLY 123 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nsy s ASP 124 N -3.48 6.31 -0.02 1.61 1.01 -1.26 -5.00 116.67 115.84 1nsy s ASP 124 Ca 0.00 0.08 0.02 0.00 0.71 0.00 0.00 52.55 53.36 1nsy s ASP 124 Cb 0.00 -1.85 -0.03 0.00 1.01 0.00 0.00 42.92 42.05 1nsy s ASP 124 CO 0.00 -0.09 -0.04 -1.58 0.21 0.00 0.00 175.17 173.67 1nsy s GLN 125 N -4.00 2.68 0.38 8.23 0.74 -1.26 -3.33 119.66 123.11 1nsy s GLN 125 Ca 0.35 -0.64 -0.27 0.00 0.05 0.00 0.00 55.36 54.85 1nsy s GLN 125 Cb -0.09 -2.59 -0.09 0.00 1.10 0.00 0.00 33.01 31.34 1nsy s GLN 125 CO 0.29 0.63 1.30 -0.51 -0.55 0.00 0.00 175.29 176.45 1nsy s LEU 126 N -1.31 4.29 0.85 3.68 1.43 -1.26 -4.99 118.68 121.38 1nsy s LEU 126 Ca 0.17 2.66 -0.11 0.00 -1.03 0.00 0.00 54.13 55.82 1nsy s LEU 126 Cb -0.11 -3.81 0.10 0.00 0.03 0.00 0.00 46.19 42.40 1nsy s LEU 126 CO 0.07 -0.73 1.09 0.42 0.23 0.00 0.00 176.35 177.44 1nsy s THR 127 N -1.22 2.88 0.26 5.49 -4.23 -1.26 -4.80 115.64 112.76 1nsy s THR 127 Ca 0.54 0.29 -0.02 0.00 -1.18 0.00 0.00 61.69 61.31 1nsy s THR 127 Cb -0.38 -2.73 0.11 0.00 1.34 0.00 0.00 72.50 70.84 1nsy s THR 127 CO 0.50 -0.37 1.76 -0.78 -0.54 0.00 0.00 174.62 175.18 1nsy h ASP 128 N -1.43 0.76 -0.37 3.99 3.58 -1.99 -0.54 116.42 120.43 1nsy h ASP 128 Ca -0.47 -0.18 -0.03 0.00 0.42 0.00 0.00 57.03 56.77 1nsy h ASP 128 Cb 1.26 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 42.10 1nsy h ASP 128 CO 0.52 0.83 0.11 0.15 -2.88 0.00 0.00 179.24 177.97 1nsy h PHE 129 N 0.73 0.60 -0.05 0.28 3.57 -1.96 -1.69 116.94 118.43 1nsy h PHE 129 Ca 0.14 -0.06 -0.15 0.00 3.53 0.00 0.00 57.97 61.43 1nsy h PHE 129 Cb 0.46 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 1nsy h PHE 129 CO 0.02 0.57 -0.64 -0.91 -2.23 0.00 0.00 178.31 175.12 1nsy h ASN 130 N 0.45 0.21 0.41 0.41 2.35 -1.84 -2.80 115.58 114.77 1nsy h ASN 130 Ca 0.12 -0.13 -0.09 0.00 -0.55 0.00 0.00 56.30 55.65 1nsy h ASN 130 Cb 0.26 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1nsy h ASN 130 CO -0.00 0.79 -0.43 0.50 -1.65 0.00 0.00 177.43 176.64 1nsy h LYS 131 N 0.13 0.04 -0.55 0.81 3.64 -0.98 -2.35 116.57 117.31 1nsy h LYS 131 Ca -0.01 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 1nsy h LYS 131 Cb 1.16 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 1nsy h LYS 131 CO 0.10 0.46 -0.03 0.78 -2.27 0.00 0.00 179.45 178.49 1nsy h GLY 132 N 1.30 1.04 2.00 5.01 0.00 -1.05 -2.02 103.07 109.35 1nsy h GLY 132 Ca -0.00 -0.77 -0.06 0.00 0.00 0.00 0.00 47.33 46.50 1nsy h GLY 132 CO 0.06 0.71 -0.28 3.43 0.00 0.00 0.00 176.54 180.45 1nsy h ASN 133 N 0.88 0.00 0.35 0.19 2.35 -1.25 -2.39 115.58 115.71 1nsy h ASN 133 Ca 0.15 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.76 1nsy h ASN 133 Cb 0.56 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 1nsy h ASN 133 CO 0.03 0.28 -0.60 0.58 -1.65 0.00 0.00 177.43 176.07 1nsy h VAL 134 N 0.00 1.38 -0.12 2.81 2.07 -0.88 -2.04 116.25 119.47 1nsy h VAL 134 Ca -0.00 -1.97 -0.01 0.00 0.82 0.00 0.00 66.70 65.54 1nsy h VAL 134 Cb 0.58 1.99 -0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1nsy h VAL 134 CO 0.04 0.58 0.03 0.11 0.02 0.00 0.00 177.57 178.35 1nsy h LYS 135 N 0.19 0.19 -0.92 1.57 1.57 -0.91 -0.26 116.57 118.00 1nsy h LYS 135 Ca -0.01 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1nsy h LYS 135 Cb 1.10 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.34 1nsy h LYS 135 CO 0.09 0.36 0.58 0.00 -0.57 0.00 0.00 179.45 179.91 1nsy h ALA 136 N 0.83 1.17 -0.00 3.86 0.00 -1.31 -1.49 119.26 122.31 1nsy h ALA 136 Ca 0.04 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 1nsy h ALA 136 Cb 0.25 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1nsy h ALA 136 CO 0.00 0.60 -0.69 0.00 0.00 0.00 0.00 179.25 179.17 1nsy h ARG 137 N 1.26 0.02 -0.19 0.00 3.08 -1.24 -2.80 114.38 114.51 1nsy h ARG 137 Ca 0.33 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 60.27 1nsy h ARG 137 Cb -0.09 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 1nsy h ARG 137 CO -0.07 0.70 -0.30 1.15 -1.07 0.00 0.00 179.97 180.39 1nsy h THR 138 N 0.01 1.27 -0.12 2.04 2.02 -0.60 -1.76 112.91 115.77 1nsy h THR 138 Ca -0.01 -1.31 -0.10 0.00 0.77 0.00 0.00 66.41 65.76 1nsy h THR 138 Cb 1.22 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 69.07 1nsy h THR 138 CO 0.09 0.40 -0.39 0.03 0.37 0.00 0.00 175.52 176.02 1nsy h ARG 139 N 0.32 0.25 -0.38 6.66 3.08 -1.08 -0.47 114.38 122.76 1nsy h ARG 139 Ca 0.04 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 1nsy h ARG 139 Cb 0.69 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 1nsy h ARG 139 CO 0.05 0.61 0.09 1.98 -1.07 0.00 0.00 179.97 181.63 1nsy h MET 140 N 0.21 0.61 -0.80 0.04 4.05 -1.12 -2.13 114.93 115.79 1nsy h MET 140 Ca 0.02 -0.15 -0.04 0.00 -0.28 0.00 0.00 59.70 59.26 1nsy h MET 140 Cb 0.79 -0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 31.47 1nsy h MET 140 CO 0.06 0.64 0.36 0.82 0.23 0.00 0.00 176.91 179.02 1nsy h ILE 141 N 0.47 1.26 -0.61 1.77 2.04 -0.92 -0.71 117.51 120.81 1nsy h ILE 141 Ca 0.12 -0.75 -0.04 0.00 1.00 0.00 0.00 64.86 65.19 1nsy h ILE 141 Cb 0.30 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 1nsy h ILE 141 CO 0.00 0.32 0.22 0.00 0.00 0.00 0.00 178.15 178.69 1nsy h ALA 142 N 1.24 0.79 -0.35 1.87 0.00 -0.89 -1.49 119.26 120.42 1nsy h ALA 142 Ca 0.27 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1nsy h ALA 142 Cb 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1nsy h ALA 142 CO -0.03 0.43 -0.29 1.96 0.00 0.00 0.00 179.25 181.32 1nsy h GLN 143 N 0.85 0.82 0.00 0.00 4.20 -0.97 -2.30 115.11 117.71 1nsy h GLN 143 Ca 0.20 -0.41 -0.02 0.00 0.06 0.00 0.00 58.65 58.48 1nsy h GLN 143 Cb 0.24 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 1nsy h GLN 143 CO -0.01 1.04 -0.11 1.88 -0.67 0.00 0.00 178.83 180.97 1nsy h TYR 144 N 0.60 0.00 0.07 2.96 0.05 -1.03 0.99 116.97 120.61 1nsy h TYR 144 Ca 0.06 0.00 -0.26 0.00 0.05 0.00 0.00 58.73 58.59 1nsy h TYR 144 Cb 0.87 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.61 1nsy h TYR 144 CO 0.07 0.11 -1.10 0.00 -1.05 0.00 0.00 178.16 176.18 1nsy h ALA 145 N 1.89 0.20 -0.09 3.88 0.00 -0.98 -0.33 119.26 123.84 1nsy h ALA 145 Ca -0.00 -0.78 -0.23 0.00 0.00 0.00 0.00 54.91 53.90 1nsy h ALA 145 Cb 0.39 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.21 1nsy h ALA 145 CO 0.01 0.84 -0.84 0.82 0.00 0.00 0.00 179.25 180.08 1nsy h ILE 146 N 0.19 1.29 -0.71 0.00 2.04 -1.06 -1.01 117.51 118.25 1nsy h ILE 146 Ca -0.12 -2.05 -0.03 0.00 1.00 0.00 0.00 64.86 63.65 1nsy h ILE 146 Cb 1.78 2.16 -0.03 0.00 -0.74 0.00 0.00 36.82 39.98 1nsy h ILE 146 CO 0.19 0.64 0.30 1.23 0.00 0.00 0.00 178.15 180.52 1nsy h GLY 147 N 0.43 1.11 1.19 5.37 0.00 -0.79 -0.92 103.07 109.46 1nsy h GLY 147 Ca -0.08 -0.57 -0.11 0.00 0.00 0.00 0.00 47.33 46.57 1nsy h GLY 147 CO 0.17 0.54 -0.15 -1.33 0.00 0.00 0.00 176.54 175.77 1nsy h GLY 148 N 1.08 1.02 1.41 4.60 0.00 -0.86 0.30 103.07 110.63 1nsy h GLY 148 Ca 0.24 -0.83 -0.17 0.00 0.00 0.00 0.00 47.33 46.56 1nsy h GLY 148 CO -0.02 0.76 -0.60 1.46 0.00 0.00 0.00 176.54 178.14 1nsy h GLN 149 N 0.83 0.60 -0.01 4.80 1.08 -0.87 -3.33 115.11 118.22 1nsy h GLN 149 Ca 0.13 -0.41 0.00 0.00 -1.45 0.00 0.00 58.65 56.92 1nsy h GLN 149 Cb 0.69 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.18 1nsy h GLN 149 CO 0.05 1.02 -0.58 0.39 -0.95 0.00 0.00 178.83 178.77 1nsy n GLU 150 N -3.95 1.36 -2.56 1.46 -0.58 -0.38 -5.02 120.64 110.99 1nsy n GLU 150 Ca -0.04 -0.51 -0.01 0.00 -0.42 0.00 0.00 57.16 56.18 1nsy n GLU 150 Cb 0.64 -1.35 0.00 0.00 -0.57 0.00 0.00 31.44 30.17 1nsy n GLU 150 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1nsy n GLY 151 N 1.33 0.86 3.59 0.62 0.00 0.92 -4.89 105.19 107.62 1nsy n GLY 151 Ca 0.06 -0.63 -0.26 0.00 0.00 0.00 0.00 46.02 45.19 1nsy n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nsy s LEU 152 N -1.36 2.86 0.00 0.99 1.43 -0.34 -1.84 118.68 120.43 1nsy s LEU 152 Ca 0.03 -1.13 -0.01 0.00 -1.03 0.00 0.00 54.13 51.99 1nsy s LEU 152 Cb -0.02 -1.14 -0.04 0.00 0.03 0.00 0.00 46.19 45.02 1nsy s LEU 152 CO 0.04 -0.25 0.15 -0.76 0.23 0.00 0.00 176.35 175.76 1nsy s LEU 153 N -3.67 4.21 -0.27 1.79 1.43 -0.17 -4.65 118.68 117.34 1nsy s LEU 153 Ca 0.34 0.26 -0.21 0.00 -1.03 0.00 0.00 54.13 53.49 1nsy s LEU 153 Cb 0.02 -2.55 -0.01 0.00 0.03 0.00 0.00 46.19 43.68 1nsy s LEU 153 CO 0.18 0.25 0.68 -0.69 0.23 0.00 0.00 176.35 177.00 1nsy s VAL 154 N -1.31 4.93 0.38 -1.59 1.01 -1.26 -0.99 120.40 121.56 1nsy s VAL 154 Ca 0.27 1.16 -0.18 0.00 0.00 0.00 0.00 61.98 63.23 1nsy s VAL 154 Cb -0.12 -4.00 -0.10 0.00 0.00 0.00 0.00 36.38 32.15 1nsy s VAL 154 CO 0.18 -0.06 0.84 -0.76 0.00 0.00 0.00 175.10 175.31 1nsy s LEU 155 N 2.64 4.00 0.18 3.92 1.43 -0.74 -0.35 118.68 129.76 1nsy s LEU 155 Ca 0.28 1.48 0.10 0.00 -1.03 0.00 0.00 54.13 54.96 1nsy s LEU 155 Cb -0.15 -4.31 -0.04 0.00 0.03 0.00 0.00 46.19 41.72 1nsy s LEU 155 CO 0.09 -0.29 -0.20 -0.83 0.23 0.00 0.00 176.35 175.36 1nsy s GLY 156 N -2.24 1.52 -0.02 -3.19 0.00 -0.48 -4.80 107.32 98.11 1nsy s GLY 156 Ca 0.58 -1.57 0.15 0.00 0.00 0.00 0.00 44.72 43.88 1nsy s GLY 156 CO 0.15 -1.62 1.37 -1.30 0.00 0.00 0.00 173.10 171.70 1nsy n THR 157 N 0.19 1.18 -1.75 0.90 -2.24 -1.26 -4.24 114.28 107.05 1nsy n THR 157 Ca -0.12 -1.09 -0.40 0.00 -2.27 0.00 0.00 64.05 60.17 1nsy n THR 157 Cb 0.57 0.41 0.02 0.00 -2.10 0.00 0.00 70.33 69.23 1nsy n THR 157 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1nsy n ASP 158 N 0.74 3.11 -4.02 3.42 2.03 -1.26 -4.86 116.55 115.71 1nsy n ASP 158 Ca 0.17 1.10 -0.11 0.00 0.52 0.00 0.00 54.79 56.46 1nsy n ASP 158 Cb 0.55 -1.58 -0.07 0.00 -0.72 0.00 0.00 41.12 39.29 1nsy n ASP 158 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 1nsy s HIS 159 N -1.21 0.75 0.37 -0.67 -3.43 -1.26 -3.65 115.29 106.19 1nsy s HIS 159 Ca 0.63 -1.04 0.08 0.00 -0.80 0.00 0.00 55.06 53.92 1nsy s HIS 159 Cb -0.45 -0.15 0.80 0.00 -1.43 0.00 0.00 32.58 31.35 1nsy s HIS 159 CO 0.56 -0.86 1.92 0.00 -2.00 0.00 0.00 174.74 174.37 1nsy h ALA 160 N 2.39 1.79 0.00 -1.38 0.00 -1.67 -0.50 119.26 119.89 1nsy h ALA 160 Ca -0.30 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1nsy h ALA 160 Cb 1.25 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1nsy h ALA 160 CO 0.43 0.04 -0.03 0.00 0.00 0.00 0.00 179.25 179.69 1nsy h ALA 161 N 1.61 1.00 0.02 0.00 0.00 -1.91 0.11 119.26 120.09 1nsy h ALA 161 Ca 0.37 -0.03 -0.35 0.00 0.00 0.00 0.00 54.91 54.90 1nsy h ALA 161 Cb 0.48 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 1nsy h ALA 161 CO -0.14 0.04 -2.14 0.39 0.00 0.00 0.00 179.25 177.40 1nsy n GLU 162 N -3.13 0.68 0.15 0.00 1.02 -0.65 -4.40 120.64 114.31 1nsy n GLU 162 Ca 0.01 0.16 -0.13 0.00 -0.02 0.00 0.00 57.16 57.17 1nsy n GLU 162 Cb 0.36 -1.63 -0.08 0.00 -0.02 0.00 0.00 31.44 30.06 1nsy n GLU 162 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nsy h ALA 163 N 0.65 -0.37 -0.98 0.62 0.00 -1.02 -1.53 119.26 116.63 1nsy h ALA 163 Ca -0.46 -0.17 0.27 0.00 0.00 0.00 0.00 54.91 54.56 1nsy h ALA 163 Cb 2.08 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.96 1nsy h ALA 163 CO 0.03 -0.57 0.69 -0.24 0.00 0.00 0.00 179.25 179.17 1nsy h VAL 164 N -0.66 0.53 -0.06 0.00 3.04 -1.19 -1.34 116.25 116.57 1nsy h VAL 164 Ca -0.04 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 1nsy h VAL 164 Cb 0.46 0.42 0.00 0.00 -2.01 0.00 0.00 31.29 30.16 1nsy h VAL 164 CO 0.06 0.02 0.00 0.35 -1.01 0.00 0.00 177.57 176.99 1nsy n THR 165 N -4.32 0.05 -3.05 3.17 -2.24 -1.17 -3.88 114.28 102.84 1nsy n THR 165 Ca 0.21 -0.53 -0.22 0.00 -2.27 0.00 0.00 64.05 61.24 1nsy n THR 165 Cb 0.99 1.38 0.03 0.00 -2.10 0.00 0.00 70.33 70.63 1nsy n THR 165 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nsy n GLY 166 N 1.18 -0.52 3.46 3.38 0.00 -0.51 -4.88 105.19 107.30 1nsy n GLY 166 Ca 0.13 0.13 -0.44 0.00 0.00 0.00 0.00 46.02 45.83 1nsy n GLY 166 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1nsy s PHE 167 N -3.15 3.52 -0.18 1.61 2.19 -0.64 -4.81 117.98 116.52 1nsy s PHE 167 Ca 0.31 -2.11 -0.31 0.00 0.33 0.00 0.00 56.93 55.14 1nsy s PHE 167 Cb -0.14 -4.28 0.14 0.00 -1.31 0.00 0.00 43.02 37.43 1nsy s PHE 167 CO 0.38 -1.38 1.13 -0.59 1.83 0.00 0.00 175.22 176.59 1nsy s PHE 168 N 1.49 -0.22 -0.15 10.12 -0.12 -1.26 -4.83 117.98 123.02 1nsy s PHE 168 Ca 0.41 0.27 -0.24 0.00 -0.05 0.00 0.00 56.93 57.33 1nsy s PHE 168 Cb -0.03 0.49 -0.02 0.00 -0.63 0.00 0.00 43.02 42.83 1nsy s PHE 168 CO -0.01 -0.26 0.74 0.99 -0.05 0.00 0.00 175.22 176.63 1nsy s THR 169 N -1.79 4.96 0.10 -4.49 2.01 -1.26 -4.92 115.64 110.26 1nsy s THR 169 Ca 0.05 1.46 -0.31 0.00 0.31 0.00 0.00 61.69 63.20 1nsy s THR 169 Cb -0.01 -4.06 -0.11 0.00 0.01 0.00 0.00 72.50 68.34 1nsy s THR 169 CO -0.04 0.11 1.86 1.17 -0.69 0.00 0.00 174.62 177.03 1nsy n LYS 170 N 4.77 2.75 -1.22 4.92 4.81 -1.26 -0.97 118.16 131.96 1nsy n LYS 170 Ca 0.01 1.00 -0.08 0.00 -0.87 0.00 0.00 58.31 58.38 1nsy n LYS 170 Cb 0.50 -2.90 -0.03 0.00 0.02 0.00 0.00 35.03 32.61 1nsy n LYS 170 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1nsy n TYR 171 N 5.95 0.00 0.00 5.64 4.01 -1.26 -4.88 117.16 126.62 1nsy n TYR 171 Ca 0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.93 1nsy n TYR 171 Cb 0.37 -2.24 0.00 0.00 -0.31 0.00 0.00 39.34 37.16 1nsy n TYR 171 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1nsy n GLY 172 N -0.18 0.56 0.21 2.72 0.00 -0.15 -4.58 105.19 103.78 1nsy n GLY 172 Ca -0.08 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.09 1nsy n GLY 172 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1nsy h ASP 173 N 0.00 0.00 0.70 1.61 2.03 -1.69 -2.25 116.42 116.81 1nsy h ASP 173 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1nsy h ASP 173 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1nsy h ASP 173 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.82 1nsy n GLY 174 N 0.45 -1.23 3.47 7.15 0.00 -0.71 -4.61 105.19 109.71 1nsy n GLY 174 Ca 0.02 0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1nsy n GLY 174 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nsy s GLY 175 N -3.45 1.47 0.32 -0.02 0.00 -0.85 -4.74 107.32 100.04 1nsy s GLY 175 Ca 0.05 -1.64 -0.10 0.00 0.00 0.00 0.00 44.72 43.03 1nsy s GLY 175 CO 0.37 1.94 0.57 0.00 0.00 0.00 0.00 173.10 175.98 1nsy s ALA 176 N 3.73 -0.04 -0.14 3.20 0.00 -1.26 -4.90 121.76 122.34 1nsy s ALA 176 Ca 0.23 -1.05 -0.03 0.00 0.00 0.00 0.00 51.96 51.11 1nsy s ALA 176 Cb -0.16 0.99 -0.24 0.00 0.00 0.00 0.00 23.12 23.71 1nsy s ALA 176 CO 0.13 -0.87 0.26 -0.25 0.00 0.00 0.00 175.76 175.03 1nsy n ASP 177 N -1.02 1.96 -3.67 0.00 8.00 0.53 -4.98 116.55 117.37 1nsy n ASP 177 Ca -0.02 0.15 -0.14 0.00 0.71 0.00 0.00 54.79 55.48 1nsy n ASP 177 Cb 0.61 -0.67 -0.07 0.00 -0.02 0.00 0.00 41.12 40.97 1nsy n ASP 177 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1nsy s LEU 178 N -6.83 0.35 -0.46 0.64 2.34 -1.13 -5.02 118.68 108.56 1nsy s LEU 178 Ca -0.23 0.20 0.04 0.00 0.06 0.00 0.00 54.13 54.20 1nsy s LEU 178 Cb 0.07 1.72 0.12 0.00 -0.56 0.00 0.00 46.19 47.55 1nsy s LEU 178 CO 0.74 -0.56 0.19 -0.76 -1.06 0.00 0.00 176.35 174.90 1nsy s LEU 179 N -1.53 4.47 0.54 1.48 1.43 -1.26 -1.38 118.68 122.44 1nsy s LEU 179 Ca -0.10 -2.73 0.33 0.00 -1.03 0.00 0.00 54.13 50.60 1nsy s LEU 179 Cb -0.03 -1.64 1.35 0.00 0.03 0.00 0.00 46.19 45.90 1nsy s LEU 179 CO 0.03 -0.28 1.98 1.55 0.23 0.00 0.00 176.35 179.86 1nsy h PRO 180 N 6.87 0.00 -0.62 1.29 0.13 -1.89 -3.20 132.00 134.58 1nsy h PRO 180 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1nsy h PRO 180 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1nsy h PRO 180 CO 0.63 0.02 0.00 1.28 -0.23 0.00 0.00 178.00 179.70 1nsy n LEU 181 N -3.12 3.53 -4.72 1.56 4.77 -1.26 -4.89 117.00 112.87 1nsy n LEU 181 Ca 0.00 -1.73 -0.43 0.00 -0.03 0.00 0.00 56.01 53.83 1nsy n LEU 181 Cb 0.31 -0.41 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1nsy n LEU 181 CO 0.28 0.86 1.22 0.41 -1.33 0.00 0.00 177.39 178.83 1nsy n THR 182 N 1.45 0.67 0.00 -5.08 -1.04 -1.21 -2.87 114.28 106.19 1nsy n THR 182 Ca 0.22 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 1nsy n THR 182 Cb 0.57 -1.82 0.00 0.00 -1.82 0.00 0.00 70.33 67.26 1nsy n THR 182 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1nsy n GLY 183 N 2.70 2.73 3.73 3.41 0.00 -1.23 -4.93 105.19 111.60 1nsy n GLY 183 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1nsy n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nsy s LEU 184 N 0.00 4.53 0.77 0.99 1.43 -1.14 -4.08 118.68 121.19 1nsy s LEU 184 Ca 0.00 1.82 -0.09 0.00 -1.03 0.00 0.00 54.13 54.83 1nsy s LEU 184 Cb 0.00 -3.59 0.08 0.00 0.03 0.00 0.00 46.19 42.72 1nsy s LEU 184 CO 0.00 -0.01 1.11 0.42 0.23 0.00 0.00 176.35 178.10 1nsy s THR 185 N -0.27 2.13 0.13 5.49 -4.23 -1.26 -2.31 115.64 115.32 1nsy s THR 185 Ca 0.45 -0.15 -0.19 0.00 -1.18 0.00 0.00 61.69 60.62 1nsy s THR 185 Cb -0.24 -2.98 -0.06 0.00 1.34 0.00 0.00 72.50 70.56 1nsy s THR 185 CO 0.30 0.00 1.78 0.50 -0.54 0.00 0.00 174.62 176.66 1nsy h LYS 186 N -0.88 0.28 -0.83 3.99 1.63 -1.95 -1.99 116.57 116.81 1nsy h LYS 186 Ca -0.45 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.30 1nsy h LYS 186 Cb 1.31 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.84 1nsy h LYS 186 CO 0.60 0.19 0.39 0.07 -3.45 0.00 0.00 179.45 177.24 1nsy h ARG 187 N 0.29 1.20 0.00 1.90 0.11 -1.94 -1.35 114.38 114.59 1nsy h ARG 187 Ca 0.08 -0.18 -0.03 0.00 0.10 0.00 0.00 59.98 59.95 1nsy h ARG 187 Cb -0.02 -0.21 -0.00 0.00 1.11 0.00 0.00 29.97 30.84 1nsy h ARG 187 CO -0.03 0.93 -0.15 1.96 0.10 0.00 0.00 179.97 182.78 1nsy h GLN 188 N 1.19 0.00 -0.36 0.08 4.20 -1.90 0.21 115.11 118.53 1nsy h GLN 188 Ca 0.28 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.83 1nsy h GLN 188 Cb 0.14 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 1nsy h GLN 188 CO -0.03 0.15 -0.40 0.78 -0.67 0.00 0.00 178.83 178.66 1nsy h GLY 189 N 0.49 0.99 1.15 3.46 0.00 -0.56 -2.05 103.07 106.55 1nsy h GLY 189 Ca -0.00 -1.04 -0.05 0.00 0.00 0.00 0.00 47.33 46.24 1nsy h GLY 189 CO 0.02 0.94 0.25 -0.09 0.00 0.00 0.00 176.54 177.66 1nsy h ARG 190 N 0.72 1.08 -0.68 4.80 2.43 -0.27 -1.86 114.38 120.60 1nsy h ARG 190 Ca 0.05 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1nsy h ARG 190 Cb 1.00 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.35 1nsy h ARG 190 CO 0.10 0.90 0.43 1.15 -1.51 0.00 0.00 179.97 181.04 1nsy h THR 191 N 1.05 1.18 -0.35 0.20 2.02 -0.68 0.35 112.91 116.67 1nsy h THR 191 Ca 0.24 -0.37 -0.16 0.00 0.77 0.00 0.00 66.41 66.89 1nsy h THR 191 Cb 0.25 0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 66.86 1nsy h THR 191 CO -0.01 0.18 -0.40 -0.07 0.37 0.00 0.00 175.52 175.59 1nsy h LEU 192 N 0.93 0.96 -0.91 2.58 4.07 -0.67 -0.27 115.31 121.99 1nsy h LEU 192 Ca 0.25 -0.48 -0.05 0.00 0.08 0.00 0.00 57.88 57.68 1nsy h LEU 192 Cb -0.07 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 41.37 1nsy h LEU 192 CO -0.05 1.24 0.20 -0.07 -1.08 0.00 0.00 178.44 178.68 1nsy h LEU 193 N 0.69 0.93 -0.51 1.67 3.38 -0.81 -0.14 115.31 120.52 1nsy h LEU 193 Ca 0.05 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1nsy h LEU 193 Cb 0.99 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1nsy h LEU 193 CO 0.10 0.87 0.18 0.11 0.09 0.00 0.00 178.44 179.79 1nsy h LYS 194 N 0.96 0.78 -0.47 1.13 1.57 -0.79 -0.83 116.57 118.93 1nsy h LYS 194 Ca 0.21 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1nsy h LYS 194 Cb 0.28 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1nsy h LYS 194 CO -0.01 0.71 0.27 0.93 -0.57 0.00 0.00 179.45 180.78 1nsy h GLU 195 N 0.69 0.63 -0.00 3.15 4.39 -0.17 -2.07 114.58 121.20 1nsy h GLU 195 Ca 0.17 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1nsy h GLU 195 Cb 0.24 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1nsy h GLU 195 CO -0.01 0.45 -0.12 1.28 -1.16 0.00 0.00 179.01 179.45 1nsy n LEU 196 N -4.43 0.31 -0.24 1.33 4.77 -0.15 -4.94 117.00 113.65 1nsy n LEU 196 Ca 0.04 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1nsy n LEU 196 Cb 0.08 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1nsy n LEU 196 CO 0.36 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1nsy n GLY 197 N 1.36 0.74 3.80 -0.72 0.00 -0.77 -5.05 105.19 104.54 1nsy n GLY 197 Ca 0.12 -0.72 -0.31 0.00 0.00 0.00 0.00 46.02 45.10 1nsy n GLY 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nsy s ALA 198 N -2.47 2.56 0.17 4.61 0.00 -0.39 -4.98 121.76 121.25 1nsy s ALA 198 Ca 0.00 0.20 -0.31 0.00 0.00 0.00 0.00 51.96 51.85 1nsy s ALA 198 Cb 0.00 -3.22 -0.09 0.00 0.00 0.00 0.00 23.12 19.81 1nsy s ALA 198 CO 0.00 -1.32 1.44 -2.14 0.00 0.00 0.00 175.76 173.74 1nsy s PRO 199 N -4.83 4.29 0.58 0.00 0.02 -1.26 -4.85 135.00 128.95 1nsy s PRO 199 Ca 0.60 2.19 0.28 0.00 0.02 0.00 0.00 61.00 64.09 1nsy s PRO 199 Cb -0.15 -3.19 1.55 0.00 0.02 0.00 0.00 34.50 32.73 1nsy s PRO 199 CO 0.52 -0.45 2.03 1.05 -0.33 0.00 0.00 177.00 179.82 1nsy h GLU 200 N 6.25 0.00 -0.61 5.54 4.11 -1.99 -2.12 114.58 125.76 1nsy h GLU 200 Ca -0.43 0.00 0.09 0.00 0.07 0.00 0.00 59.36 59.08 1nsy h GLU 200 Cb 1.21 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.42 1nsy h GLU 200 CO 0.85 0.00 0.41 -0.09 0.07 0.00 0.00 179.01 180.24 1nsy h ARG 201 N 0.00 0.46 0.00 1.06 9.65 -1.98 0.39 114.38 123.97 1nsy h ARG 201 Ca 0.14 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.97 1nsy h ARG 201 Cb 0.73 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 29.20 1nsy h ARG 201 CO -0.00 0.31 -0.14 -0.07 2.80 0.00 0.00 179.97 182.86 1nsy h LEU 202 N 0.48 0.00 -2.10 3.80 3.38 -1.73 -2.70 115.31 116.45 1nsy h LEU 202 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1nsy h LEU 202 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1nsy h LEU 202 CO -0.08 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.59 1nsy n TYR 203 N -3.25 0.03 -0.02 1.13 0.18 -0.93 -3.52 117.16 110.77 1nsy n TYR 203 Ca 0.01 -0.27 -0.02 0.00 1.88 0.00 0.00 57.90 59.50 1nsy n TYR 203 Cb 0.42 -0.03 -0.12 0.00 -0.38 0.00 0.00 39.34 39.23 1nsy n TYR 203 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1nsy n LEU 204 N -0.18 0.50 -4.51 -3.48 4.77 0.08 -4.96 117.00 109.21 1nsy n LEU 204 Ca 0.01 0.22 -0.29 0.00 -0.03 0.00 0.00 56.01 55.93 1nsy n LEU 204 Cb 0.16 0.19 0.24 0.00 -2.33 0.00 0.00 43.42 41.68 1nsy n LEU 204 CO 0.01 0.24 0.54 -1.59 -1.33 0.00 0.00 177.39 175.26 1nsy s LYS 205 N -2.87 -0.71 0.07 3.23 -2.85 -1.03 -4.98 119.74 110.61 1nsy s LYS 205 Ca -0.06 0.89 -0.24 0.00 -1.00 0.00 0.00 55.97 55.56 1nsy s LYS 205 Cb 0.09 -1.57 -0.06 0.00 -2.06 0.00 0.00 37.83 34.22 1nsy s LYS 205 CO 0.83 -3.60 0.73 -1.21 0.10 0.00 0.00 175.35 172.20 1nsy s GLU 206 N -4.50 4.46 0.35 1.78 0.41 -1.26 -5.02 118.70 114.92 1nsy s GLU 206 Ca 0.68 1.01 -0.28 0.00 -0.41 0.00 0.00 54.97 55.97 1nsy s GLU 206 Cb -0.24 -3.33 -0.11 0.00 -1.78 0.00 0.00 34.13 28.67 1nsy s GLU 206 CO 0.64 0.39 1.40 -2.14 -0.49 0.00 0.00 175.26 175.06 1nsy s PRO 207 N -0.41 4.23 -0.19 0.39 0.02 -1.26 -4.97 135.00 132.81 1nsy s PRO 207 Ca 0.36 2.40 -0.19 0.00 0.02 0.00 0.00 61.00 63.59 1nsy s PRO 207 Cb -0.21 -3.02 0.05 0.00 0.02 0.00 0.00 34.50 31.35 1nsy s PRO 207 CO 0.22 -0.36 0.53 -0.08 -0.33 0.00 0.00 177.00 176.98 1nsy s THR 208 N -1.12 0.00 -0.15 0.99 -1.32 -1.26 -2.11 115.64 110.66 1nsy s THR 208 Ca 0.51 -0.02 0.16 0.00 -1.21 0.00 0.00 61.69 61.13 1nsy s THR 208 Cb -0.43 -0.74 -0.02 0.00 -1.51 0.00 0.00 72.50 69.80 1nsy s THR 208 CO 0.58 -0.01 1.18 0.00 -2.21 0.00 0.00 174.62 174.16 1nsy h ALA 209 N 5.15 0.66 -6.41 11.08 0.00 -1.95 -3.49 119.26 124.31 1nsy h ALA 209 Ca -0.28 -0.58 -0.48 0.00 0.00 0.00 0.00 54.91 53.58 1nsy h ALA 209 Cb 1.17 0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.04 1nsy h ALA 209 CO 0.19 0.70 -0.92 -3.47 0.00 0.00 0.00 179.25 175.75 1nsy n ASP 210 N -3.06 -2.59 -0.00 0.00 2.03 -1.26 -4.91 116.55 106.76 1nsy n ASP 210 Ca -0.03 -1.03 0.09 0.00 0.52 0.00 0.00 54.79 54.35 1nsy n ASP 210 Cb 0.76 -3.12 -0.12 0.00 -0.72 0.00 0.00 41.12 37.92 1nsy n ASP 210 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1nsy n LEU 211 N -4.36 0.48 -4.84 -2.67 4.77 -1.26 -4.77 117.00 104.35 1nsy n LEU 211 Ca -0.21 -0.27 -0.36 0.00 -0.03 0.00 0.00 56.01 55.14 1nsy n LEU 211 Cb 0.64 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.67 1nsy n LEU 211 CO 0.72 0.12 0.20 -0.76 -1.33 0.00 0.00 177.39 176.34 1nsy s LEU 212 N -3.52 4.38 -0.08 2.23 1.43 -1.26 -4.32 118.68 117.54 1nsy s LEU 212 Ca 0.01 1.05 0.03 0.00 -1.03 0.00 0.00 54.13 54.18 1nsy s LEU 212 Cb 0.13 -3.12 -0.25 0.00 0.03 0.00 0.00 46.19 42.99 1nsy s LEU 212 CO 0.77 0.15 0.54 0.44 0.23 0.00 0.00 176.35 178.48 1nsy h ASP 213 N 3.81 0.21 0.99 2.29 3.32 -1.94 -3.09 116.42 122.00 1nsy h ASP 213 Ca -0.49 -0.46 -0.13 0.00 0.02 0.00 0.00 57.03 55.98 1nsy h ASP 213 Cb 1.20 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.66 1nsy h ASP 213 CO 0.65 1.41 -0.60 -0.33 -1.72 0.00 0.00 179.24 178.65 1nsy h GLU 214 N 0.04 0.00 -2.02 3.56 5.08 -1.94 -3.37 114.58 115.93 1nsy h GLU 214 Ca -0.35 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.47 1nsy h GLU 214 Cb 2.02 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 30.88 1nsy h GLU 214 CO 0.09 0.60 -1.09 1.63 -1.00 0.00 0.00 179.01 179.24 1nsy n LYS 215 N -3.47 0.90 -1.62 2.33 5.02 -1.25 -5.11 118.16 114.95 1nsy n LYS 215 Ca 0.00 -3.36 -0.36 0.00 -2.02 0.00 0.00 58.31 52.57 1nsy n LYS 215 Cb 0.69 -1.38 0.08 0.00 -0.02 0.00 0.00 35.03 34.39 1nsy n LYS 215 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1nsy n PRO 216 N 1.15 0.95 -2.78 1.97 -0.04 -1.17 -2.87 135.00 132.21 1nsy n PRO 216 Ca 0.22 0.38 -0.16 0.00 -0.04 0.00 0.00 63.50 63.90 1nsy n PRO 216 Cb 0.54 -2.49 -0.00 0.00 -0.04 0.00 0.00 33.50 31.51 1nsy n PRO 216 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1nsy n GLN 217 N -2.06 -2.81 -2.11 0.54 1.13 -1.26 -4.92 117.38 105.88 1nsy n GLN 217 Ca 0.15 0.57 -0.42 0.00 -1.94 0.00 0.00 57.00 55.37 1nsy n GLN 217 Cb 0.48 -5.22 -0.03 0.00 0.11 0.00 0.00 30.24 25.58 1nsy n GLN 217 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 1nsy s GLN 218 N -5.39 4.30 0.40 -1.09 0.74 -1.14 -4.93 119.66 112.55 1nsy s GLN 218 Ca 0.15 2.15 -0.24 0.00 0.05 0.00 0.00 55.36 57.47 1nsy s GLN 218 Cb -0.08 -3.21 -0.09 0.00 1.10 0.00 0.00 33.01 30.74 1nsy s GLN 218 CO 0.19 -0.44 1.08 -1.54 -0.55 0.00 0.00 175.29 174.02 1nsy s SER 219 N 0.94 6.71 0.19 6.67 1.04 -1.26 -4.13 113.70 123.86 1nsy s SER 219 Ca 0.64 2.11 -0.12 0.00 0.48 0.00 0.00 55.95 59.06 1nsy s SER 219 Cb -0.39 -2.59 0.17 0.00 0.10 0.00 0.00 66.02 63.31 1nsy s SER 219 CO 0.33 -0.53 1.76 0.44 0.98 0.00 0.00 173.24 176.22 1nsy h ASP 220 N 2.57 0.25 -0.77 7.02 3.32 -1.80 -1.51 116.42 125.49 1nsy h ASP 220 Ca -0.48 0.05 0.20 0.00 0.02 0.00 0.00 57.03 56.82 1nsy h ASP 220 Cb 1.22 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.74 1nsy h ASP 220 CO 0.62 0.17 0.54 -0.33 -1.72 0.00 0.00 179.24 178.53 1nsy h GLU 221 N 0.41 0.16 0.06 3.56 5.08 -1.83 0.47 114.58 122.50 1nsy h GLU 221 Ca 0.24 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1nsy h GLU 221 Cb 0.23 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1nsy h GLU 221 CO -0.22 0.11 -0.03 1.15 -1.00 0.00 0.00 179.01 179.02 1nsy h THR 222 N 0.17 1.20 -0.02 1.13 2.02 -1.60 0.25 112.91 116.06 1nsy h THR 222 Ca 0.38 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 66.64 1nsy h THR 222 Cb 1.25 1.79 -0.00 0.00 -1.74 0.00 0.00 68.15 69.45 1nsy h THR 222 CO -0.07 0.23 0.01 -0.08 0.37 0.00 0.00 175.52 175.99 1nsy h GLU 223 N -0.50 0.03 -0.33 6.66 4.81 -0.88 -3.26 114.58 121.11 1nsy h GLU 223 Ca -0.01 -0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.08 1nsy h GLU 223 Cb 0.43 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1nsy h GLU 223 CO 0.01 0.03 -0.36 -0.07 -0.73 0.00 0.00 179.01 177.89 1nsy h LEU 224 N 0.02 0.81 0.00 1.64 3.38 -0.11 -3.47 115.31 117.58 1nsy h LEU 224 Ca 0.01 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1nsy h LEU 224 Cb 0.01 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1nsy h LEU 224 CO -0.00 1.09 0.00 0.61 0.09 0.00 0.00 178.44 180.23 1nsy n GLY 225 N 0.01 0.79 3.07 0.83 0.00 0.07 -5.03 105.19 104.94 1nsy n GLY 225 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 1nsy n GLY 225 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nsy s ILE 226 N -2.99 0.40 0.24 -0.61 1.01 -1.25 -5.08 121.20 112.92 1nsy s ILE 226 Ca 0.00 -1.41 0.02 0.00 0.00 0.00 0.00 60.65 59.26 1nsy s ILE 226 Cb 0.00 -0.99 -0.03 0.00 0.01 0.00 0.00 42.46 41.44 1nsy s ILE 226 CO 0.00 -0.67 0.40 -0.94 0.00 0.00 0.00 174.94 173.73 1nsy s SER 227 N -2.21 6.33 0.58 3.58 1.04 -1.26 -4.57 113.70 117.20 1nsy s SER 227 Ca -0.02 0.26 0.31 0.00 0.48 0.00 0.00 55.95 56.97 1nsy s SER 227 Cb -0.02 -1.94 1.78 0.00 0.10 0.00 0.00 66.02 65.94 1nsy s SER 227 CO -0.04 -0.10 2.21 1.88 0.98 0.00 0.00 173.24 178.18 1nsy h TYR 228 N 1.44 0.00 -0.03 5.02 0.05 -1.98 -1.72 116.97 119.74 1nsy h TYR 228 Ca -0.50 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.13 1nsy h TYR 228 Cb 1.21 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.94 1nsy h TYR 228 CO 0.50 0.03 -0.66 -0.44 -1.05 0.00 0.00 178.16 176.55 1nsy h ASP 229 N 0.00 0.16 0.19 3.88 3.32 -1.99 -0.45 116.42 121.53 1nsy h ASP 229 Ca -0.00 -0.10 -0.23 0.00 0.02 0.00 0.00 57.03 56.72 1nsy h ASP 229 Cb 0.10 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 39.61 1nsy h ASP 229 CO 0.00 0.77 -0.92 -0.33 -1.72 0.00 0.00 179.24 177.05 1nsy h GLU 230 N 0.10 0.53 -0.31 3.56 5.08 -1.74 -2.66 114.58 119.13 1nsy h GLU 230 Ca -0.01 -0.53 -0.00 0.00 -1.00 0.00 0.00 59.36 57.82 1nsy h GLU 230 Cb 1.18 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 1nsy h GLU 230 CO 0.10 1.16 0.18 0.82 -1.00 0.00 0.00 179.01 180.26 1nsy h ILE 231 N 0.31 1.12 -0.34 3.13 2.04 -1.30 -2.22 117.51 120.26 1nsy h ILE 231 Ca -0.08 -0.31 -0.07 0.00 1.00 0.00 0.00 64.86 65.40 1nsy h ILE 231 Cb 1.55 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.37 1nsy h ILE 231 CO 0.17 0.12 -0.09 0.44 0.00 0.00 0.00 178.15 178.79 1nsy h ASP 232 N 0.39 0.54 -0.48 1.72 3.32 -1.08 -2.26 116.42 118.57 1nsy h ASP 232 Ca 0.11 -0.13 -0.12 0.00 0.02 0.00 0.00 57.03 56.91 1nsy h ASP 232 Cb 0.04 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1nsy h ASP 232 CO -0.02 0.67 -0.14 0.44 -1.72 0.00 0.00 179.24 178.47 1nsy h ASP 233 N 0.52 0.98 0.66 6.45 3.32 -1.23 0.23 116.42 127.36 1nsy h ASP 233 Ca 0.10 -0.34 -0.03 0.00 0.02 0.00 0.00 57.03 56.78 1nsy h ASP 233 Cb 0.47 -0.27 0.01 0.00 0.22 0.00 0.00 39.33 39.76 1nsy h ASP 233 CO 0.03 1.12 -0.32 0.22 -1.72 0.00 0.00 179.24 178.56 1nsy h TYR 234 N 0.86 -0.83 -0.63 4.55 3.20 -1.23 0.13 116.97 123.02 1nsy h TYR 234 Ca 0.13 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.04 1nsy h TYR 234 Cb 0.70 0.27 -0.05 0.00 1.54 0.00 0.00 36.73 39.19 1nsy h TYR 234 CO 0.05 -0.50 0.33 -0.07 -1.64 0.00 0.00 178.16 176.32 1nsy h LEU 235 N -0.94 0.47 0.00 2.82 3.38 -1.35 -1.60 115.31 118.09 1nsy h LEU 235 Ca -0.09 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1nsy h LEU 235 Cb 0.70 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1nsy h LEU 235 CO 0.15 0.31 0.00 -0.62 0.09 0.00 0.00 178.44 178.37 1nsy n GLU 236 N -4.83 0.54 -0.85 1.13 1.02 0.80 -4.82 120.64 113.62 1nsy n GLU 236 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1nsy n GLU 236 Cb 0.18 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 1nsy n GLU 236 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nsy n GLY 237 N 0.07 0.51 3.83 0.62 0.00 -0.60 -4.55 105.19 105.08 1nsy n GLY 237 Ca 0.12 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 1nsy n GLY 237 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nsy s LYS 238 N -1.10 4.11 -0.31 1.61 1.02 0.41 -5.01 119.74 120.47 1nsy s LYS 238 Ca 0.00 0.77 -0.29 0.00 0.02 0.00 0.00 55.97 56.47 1nsy s LYS 238 Cb 0.00 -2.59 -0.02 0.00 -0.52 0.00 0.00 37.83 34.71 1nsy s LYS 238 CO 0.00 0.23 1.71 -1.21 -0.92 0.00 0.00 175.35 175.17 1nsy s GLU 239 N -2.62 3.47 0.49 1.68 0.41 -1.26 -4.44 118.70 116.43 1nsy s GLU 239 Ca 0.50 1.42 0.05 0.00 -0.41 0.00 0.00 54.97 56.54 1nsy s GLU 239 Cb -0.13 -4.14 -0.01 0.00 -1.78 0.00 0.00 34.13 28.08 1nsy s GLU 239 CO 0.19 -1.69 0.24 0.14 -0.49 0.00 0.00 175.26 173.65 1nsy s VAL 240 N 6.33 1.81 0.52 2.63 -7.23 -1.26 -5.06 120.40 118.13 1nsy s VAL 240 Ca 0.76 -1.66 -0.19 0.00 -1.81 0.00 0.00 61.98 59.08 1nsy s VAL 240 Cb -0.22 -2.47 -0.07 0.00 0.56 0.00 0.00 36.38 34.18 1nsy s VAL 240 CO 0.33 0.00 1.03 -0.94 -0.31 0.00 0.00 175.10 175.21 1nsy s SER 241 N -4.07 6.23 0.36 4.85 1.04 -1.26 -4.89 113.70 115.97 1nsy s SER 241 Ca 0.31 1.84 0.16 0.00 0.48 0.00 0.00 55.95 58.74 1nsy s SER 241 Cb 0.01 -2.55 1.05 0.00 0.10 0.00 0.00 66.02 64.63 1nsy s SER 241 CO 0.18 -0.86 1.73 0.00 0.98 0.00 0.00 173.24 175.27 1nsy h ALA 242 N 1.17 2.08 0.00 5.32 0.00 -1.99 -0.56 119.26 125.27 1nsy h ALA 242 Ca -0.48 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1nsy h ALA 242 Cb 1.21 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1nsy h ALA 242 CO 0.59 -0.56 -0.10 1.57 0.00 0.00 0.00 179.25 180.74 1nsy h LYS 243 N 0.42 0.00 0.01 0.00 -0.00 -2.00 -0.90 116.57 114.11 1nsy h LYS 243 Ca 0.65 0.00 -0.05 0.00 -0.00 0.00 0.00 60.65 61.25 1nsy h LYS 243 Cb 1.53 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.75 1nsy h LYS 243 CO -0.42 0.10 -0.27 0.28 -0.00 0.00 0.00 179.45 179.14 1nsy h VAL 244 N 0.00 1.62 -0.21 0.07 2.07 -1.47 -3.18 116.25 115.16 1nsy h VAL 244 Ca -0.00 -2.33 0.04 0.00 0.82 0.00 0.00 66.70 65.23 1nsy h VAL 244 Cb 0.37 3.17 -0.04 0.00 -1.52 0.00 0.00 31.29 33.27 1nsy h VAL 244 CO 0.01 0.56 -0.05 0.77 0.02 0.00 0.00 177.57 178.89 1nsy h SER 245 N -0.97 -0.19 -0.11 0.57 4.64 -1.43 -0.59 113.55 115.48 1nsy h SER 245 Ca -0.07 0.06 0.04 0.00 -0.47 0.00 0.00 61.79 61.36 1nsy h SER 245 Cb 1.09 0.13 -0.06 0.00 -0.31 0.00 0.00 62.40 63.25 1nsy h SER 245 CO -0.03 -0.07 -0.24 -0.08 -0.87 0.00 0.00 176.83 175.54 1nsy h GLU 246 N 0.01 -0.30 -0.81 4.77 4.57 -1.31 -1.24 114.58 120.26 1nsy h GLU 246 Ca 0.10 0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.27 1nsy h GLU 246 Cb 0.15 0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.78 1nsy h GLU 246 CO -0.21 -0.20 0.38 0.00 -1.18 0.00 0.00 179.01 177.79 1nsy h ALA 247 N 0.62 1.15 -0.09 2.92 0.00 -1.46 -1.76 119.26 120.64 1nsy h ALA 247 Ca 0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1nsy h ALA 247 Cb 0.46 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1nsy h ALA 247 CO -0.29 0.64 -0.03 -0.07 0.00 0.00 0.00 179.25 179.50 1nsy h LEU 248 N 1.15 0.18 -1.22 0.00 3.38 -0.76 -2.66 115.31 115.38 1nsy h LEU 248 Ca 0.28 -0.38 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 1nsy h LEU 248 Cb 0.12 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1nsy h LEU 248 CO -0.03 0.52 -0.18 -0.33 0.09 0.00 0.00 178.44 178.50 1nsy h GLU 249 N -0.17 0.32 -0.22 1.13 5.08 -1.14 -0.65 114.58 118.94 1nsy h GLU 249 Ca 0.02 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1nsy h GLU 249 Cb 0.44 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1nsy h GLU 249 CO 0.01 0.50 0.02 -0.22 -1.00 0.00 0.00 179.01 178.32 1nsy h LYS 250 N 0.30 0.37 -0.52 2.33 3.64 -1.33 -2.69 116.57 118.66 1nsy h LYS 250 Ca 0.05 -0.11 -0.08 0.00 -1.27 0.00 0.00 60.65 59.25 1nsy h LYS 250 Cb 0.49 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 1nsy h LYS 250 CO 0.03 0.54 0.02 -0.09 -2.27 0.00 0.00 179.45 177.68 1nsy h ARG 251 N 0.15 0.87 -0.19 1.90 2.43 -1.19 -2.90 114.38 115.45 1nsy h ARG 251 Ca 0.06 -0.23 -0.02 0.00 -0.81 0.00 0.00 59.98 58.98 1nsy h ARG 251 Cb 0.36 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 1nsy h ARG 251 CO 0.01 0.85 0.03 -0.92 -1.51 0.00 0.00 179.97 178.43 1nsy h TYR 252 N 0.81 0.33 -0.15 2.20 3.20 -1.03 -2.85 116.97 119.48 1nsy h TYR 252 Ca 0.16 -0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.93 1nsy h TYR 252 Cb 0.46 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 1nsy h TYR 252 CO 0.03 0.46 -0.16 0.66 -1.64 0.00 0.00 178.16 177.50 1nsy h SER 253 N 0.11 0.23 1.11 -2.11 4.64 -1.45 -2.42 113.55 113.66 1nsy h SER 253 Ca 0.06 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1nsy h SER 253 Cb 0.30 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1nsy h SER 253 CO 0.00 0.42 0.00 0.24 -0.87 0.00 0.00 176.83 176.62 1nsy h MET 254 N 0.23 0.00 -0.33 4.77 2.86 -1.36 -3.13 114.93 117.97 1nsy h MET 254 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1nsy h MET 254 Cb 0.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 1nsy h MET 254 CO 0.03 0.00 0.00 0.25 1.06 0.00 0.00 176.91 178.25 1nsy n THR 255 N -2.49 1.06 -0.13 2.22 -2.24 -0.93 -4.63 114.28 107.15 1nsy n THR 255 Ca 0.03 -1.04 0.17 0.00 -2.27 0.00 0.00 64.05 60.94 1nsy n THR 255 Cb 0.33 0.47 0.56 0.00 -2.10 0.00 0.00 70.33 69.58 1nsy n THR 255 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1nsy h GLU 256 N 1.94 0.29 0.00 -0.78 4.57 -1.45 0.17 114.58 119.31 1nsy h GLU 256 Ca 0.00 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 1nsy h GLU 256 Cb 0.75 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.28 1nsy h GLU 256 CO 0.01 0.19 -0.02 1.12 -1.18 0.00 0.00 179.01 179.13 1nsy h HIS 257 N 0.30 0.00 0.00 0.92 2.07 -1.85 0.21 115.15 116.80 1nsy h HIS 257 Ca 0.35 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.87 1nsy h HIS 257 Cb 0.93 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.91 1nsy h HIS 257 CO -0.00 0.02 0.00 0.87 -3.07 0.00 0.00 177.93 175.75 1nsy h LYS 258 N 0.00 0.00 -0.36 5.12 1.57 -1.02 -3.24 116.57 118.64 1nsy h LYS 258 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1nsy h LYS 258 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1nsy h LYS 258 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.42 1nsy n ARG 259 N -2.37 2.33 -4.43 3.15 1.74 0.74 -4.97 116.66 112.86 1nsy n ARG 259 Ca 0.04 -2.06 -0.21 0.00 -0.77 0.00 0.00 57.85 54.85 1nsy n ARG 259 Cb 0.39 -1.38 -0.10 0.00 -1.02 0.00 0.00 32.46 30.35 1nsy n ARG 259 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1nsy s GLN 260 N -1.12 1.55 0.79 5.56 -1.52 -1.13 -5.10 119.66 118.69 1nsy s GLN 260 Ca 0.30 -1.81 -0.11 0.00 -1.95 0.00 0.00 55.36 51.79 1nsy s GLN 260 Cb 0.17 -1.05 0.06 0.00 -0.22 0.00 0.00 33.01 31.98 1nsy s GLN 260 CO 0.23 -0.03 1.09 0.14 -0.25 0.00 0.00 175.29 176.47 1nsy s VAL 261 N -3.11 3.21 0.28 1.09 -7.23 -1.26 -4.92 120.40 108.45 1nsy s VAL 261 Ca 0.31 0.39 -0.29 0.00 -1.81 0.00 0.00 61.98 60.58 1nsy s VAL 261 Cb 0.05 -3.10 -0.14 0.00 0.56 0.00 0.00 36.38 33.76 1nsy s VAL 261 CO 0.12 -0.51 1.06 -2.65 -0.31 0.00 0.00 175.10 172.81 1nsy n PRO 262 N -3.43 1.42 -2.20 4.82 -0.02 -1.26 -4.91 135.00 129.42 1nsy n PRO 262 Ca 0.07 0.50 -0.40 0.00 -2.02 0.00 0.00 63.50 61.65 1nsy n PRO 262 Cb 0.55 -1.91 -0.02 0.00 -0.02 0.00 0.00 33.50 32.10 1nsy n PRO 262 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nsy s ALA 263 N -0.92 3.38 0.30 3.55 0.00 -1.26 -5.07 121.76 121.75 1nsy s ALA 263 Ca 0.60 1.15 0.03 0.00 0.00 0.00 0.00 51.96 53.74 1nsy s ALA 263 Cb -0.71 -3.44 -0.06 0.00 0.00 0.00 0.00 23.12 18.92 1nsy s ALA 263 CO 0.59 -0.57 0.07 -1.54 0.00 0.00 0.00 175.76 174.30 1nsy s SER 264 N -0.70 2.05 0.31 0.00 1.04 -1.26 -5.02 113.70 110.12 1nsy s SER 264 Ca 0.51 -1.37 0.24 0.00 0.48 0.00 0.00 55.95 55.80 1nsy s SER 264 Cb -0.37 -0.02 1.11 0.00 0.10 0.00 0.00 66.02 66.84 1nsy s SER 264 CO 0.48 -0.63 1.72 0.00 0.98 0.00 0.00 173.24 175.78 1nsy h MET 265 N 2.20 0.00 -0.00 4.02 -0.00 -2.06 -2.56 114.93 116.52 1nsy h MET 265 Ca -0.40 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.30 1nsy h MET 265 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.84 1nsy h MET 265 CO 0.67 0.00 -0.20 1.19 -0.00 0.00 0.00 176.91 178.57 1nsy n PHE 266 N -2.31 0.00 -3.48 -0.10 3.72 -1.26 -4.86 117.46 109.18 1nsy n PHE 266 Ca 0.01 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.03 1nsy n PHE 266 Cb 0.16 -0.25 -0.06 0.00 -0.94 0.00 0.00 39.48 38.38 1nsy n PHE 266 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1nsy s ASP 267 N -2.70 6.81 -0.13 4.37 1.01 -0.97 -5.00 116.67 120.07 1nsy s ASP 267 Ca 0.21 0.98 0.17 0.00 0.71 0.00 0.00 52.55 54.62 1nsy s ASP 267 Cb 0.19 -2.25 -0.24 0.00 1.01 0.00 0.00 42.92 41.62 1nsy s ASP 267 CO 0.54 0.27 0.30 0.47 0.21 0.00 0.00 175.17 176.97 1nsy n ASP 268 N 1.55 0.25 -0.21 0.27 8.00 -1.26 -4.57 116.55 120.58 1nsy n ASP 268 Ca -0.12 0.12 0.30 0.00 0.71 0.00 0.00 54.79 55.80 1nsy n ASP 268 Cb 0.52 0.83 0.73 0.00 -0.02 0.00 0.00 41.12 43.18 1nsy n ASP 268 CO 0.00 0.00 0.00 4.11 -0.39 0.00 0.00 177.20 180.92 1nsy h TRP 269 N 0.00 0.00 0.00 1.24 5.08 -1.98 -0.26 115.95 120.03 1nsy h TRP 269 Ca -0.40 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.57 1nsy h TRP 269 Cb 2.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 28.16 1nsy h TRP 269 CO 0.00 0.00 -0.41 -2.67 -1.28 0.00 0.00 178.44 174.08 1nsy n TRP 270 N -4.15 0.60 1.84 0.12 4.27 -1.26 -5.12 117.44 113.74 1nsy n TRP 270 Ca 0.20 0.17 0.15 0.00 -3.89 0.00 0.00 57.50 54.13 1nsy n TRP 270 Cb 1.05 -0.70 0.87 0.00 -1.36 0.00 0.00 31.31 31.17 1nsy n TRP 270 CO 0.00 0.00 0.00 1.63 -2.29 0.00 0.00 177.69 177.03