#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 1.22 -0.35 -1.46 0.00 -2.03 0.48 114.93 112.78 1nsy h MET 2 Ca 0.00 -0.14 -0.10 0.00 0.00 0.00 0.00 59.70 59.46 1nsy h MET 2 Cb 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 31.60 31.35 1nsy h MET 2 CO 0.00 0.89 -0.20 0.37 0.00 0.00 0.00 176.91 177.97 1nsy h GLN 3 N 1.22 0.66 -0.26 1.72 4.15 -1.98 -1.86 115.11 118.77 1nsy h GLN 3 Ca 0.31 -0.25 -0.16 0.00 0.77 0.00 0.00 58.65 59.32 1nsy h GLN 3 Cb 0.02 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.67 1nsy h GLN 3 CO -0.05 0.82 -0.50 0.93 -1.93 0.00 0.00 178.83 178.10 1nsy h GLU 4 N 0.59 0.72 0.29 1.69 5.08 -1.72 -2.05 114.58 119.17 1nsy h GLU 4 Ca 0.09 -0.43 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 1nsy h GLU 4 Cb 0.67 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1nsy h GLU 4 CO 0.05 1.05 -0.14 -0.22 -1.00 0.00 0.00 179.01 178.75 1nsy h LYS 5 N 0.56 -0.37 -0.67 2.33 3.64 0.09 -2.17 116.57 119.98 1nsy h LYS 5 Ca 0.02 0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.52 1nsy h LYS 5 Cb 1.07 0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.90 1nsy h LYS 5 CO 0.10 -0.16 0.31 0.82 -2.27 0.00 0.00 179.45 178.25 1nsy h ILE 6 N -0.50 0.82 -0.28 2.00 2.04 -1.33 0.13 117.51 120.39 1nsy h ILE 6 Ca -0.04 -0.18 0.03 0.00 1.00 0.00 0.00 64.86 65.67 1nsy h ILE 6 Cb 0.37 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 1nsy h ILE 6 CO 0.06 0.10 0.10 -0.03 0.00 0.00 0.00 178.15 178.38 1nsy h MET 7 N 0.53 0.21 -0.39 2.37 4.05 -1.31 0.31 114.93 120.70 1nsy h MET 7 Ca 0.33 -0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 59.65 1nsy h MET 7 Cb 0.36 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.10 1nsy h MET 7 CO -0.28 0.14 -0.11 -0.09 0.23 0.00 0.00 176.91 176.80 1nsy h ARG 8 N 0.22 0.77 -0.69 0.39 2.43 -0.90 -1.80 114.38 114.80 1nsy h ARG 8 Ca 0.12 -0.30 -0.05 0.00 -0.81 0.00 0.00 59.98 58.94 1nsy h ARG 8 Cb 0.09 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 1nsy h ARG 8 CO -0.13 0.91 0.25 0.93 -1.51 0.00 0.00 179.97 180.43 1nsy h GLU 9 N 0.58 1.04 -0.02 0.20 5.08 -0.20 -2.69 114.58 118.58 1nsy h GLU 9 Ca 0.10 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1nsy h GLU 9 Cb 0.64 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1nsy h GLU 9 CO 0.04 0.87 0.00 1.28 -1.00 0.00 0.00 179.01 180.20 1nsy n LEU 10 N -4.28 0.98 -2.80 1.33 4.77 0.10 -4.95 117.00 112.15 1nsy n LEU 10 Ca 0.06 -0.33 -0.21 0.00 -0.03 0.00 0.00 56.01 55.49 1nsy n LEU 10 Cb 0.20 -0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.31 1nsy n LEU 10 CO 0.40 0.17 -0.03 1.41 -1.33 0.00 0.00 177.39 178.01 1nsy n HIS 11 N -0.22 -1.77 -3.03 -1.77 8.25 -0.75 -3.40 115.22 112.53 1nsy n HIS 11 Ca 0.20 0.44 -0.38 0.00 -0.26 0.00 0.00 57.72 57.72 1nsy n HIS 11 Cb 0.27 -4.29 -0.06 0.00 1.12 0.00 0.00 29.99 27.02 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 -3.13 4.45 -0.11 1.59 1.01 -0.75 -4.45 120.40 119.00 1nsy s VAL 12 Ca 0.25 1.55 -0.02 0.00 0.00 0.00 0.00 61.98 63.76 1nsy s VAL 12 Cb -0.11 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 1nsy s VAL 12 CO 0.31 0.41 -0.03 -0.54 0.00 0.00 0.00 175.10 175.25 1nsy s LYS 13 N -1.45 3.20 0.36 2.72 1.02 -1.26 -4.79 119.74 119.54 1nsy s LYS 13 Ca 0.38 -0.49 0.04 0.00 0.02 0.00 0.00 55.97 55.93 1nsy s LYS 13 Cb -0.21 -2.79 0.71 0.00 -0.52 0.00 0.00 37.83 35.02 1nsy s LYS 13 CO 0.24 0.51 1.99 -1.35 -0.92 0.00 0.00 175.35 175.82 1nsy h PRO 14 N 5.79 0.75 -3.82 -1.68 0.11 -1.90 -3.42 132.00 127.83 1nsy h PRO 14 Ca -0.43 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 65.46 1nsy h PRO 14 Cb 1.19 -0.17 -0.23 0.00 0.11 0.00 0.00 31.00 31.90 1nsy h PRO 14 CO 0.57 0.50 -0.66 -1.54 -0.21 0.00 0.00 178.00 176.66 1nsy s SER 15 N -6.37 0.14 0.21 -2.05 1.04 -1.26 -4.98 113.70 100.43 1nsy s SER 15 Ca -0.10 -0.31 0.07 0.00 0.48 0.00 0.00 55.95 56.10 1nsy s SER 15 Cb 0.18 0.11 -0.05 0.00 0.10 0.00 0.00 66.02 66.36 1nsy s SER 15 CO 0.76 -0.24 -0.13 0.27 0.98 0.00 0.00 173.24 174.89 1nsy s ILE 16 N -1.07 1.67 -0.38 -1.02 -4.36 -1.26 -5.10 121.20 109.68 1nsy s ILE 16 Ca -0.12 -2.19 -0.07 0.00 -0.26 0.00 0.00 60.65 58.02 1nsy s ILE 16 Cb -0.07 -2.10 0.07 0.00 1.25 0.00 0.00 42.46 41.60 1nsy s ILE 16 CO -0.00 -0.55 0.18 -0.62 0.24 0.00 0.00 174.94 174.18 1nsy s ASP 17 N -3.33 5.43 0.27 4.36 -1.08 -1.26 -4.99 116.67 116.07 1nsy s ASP 17 Ca 0.23 -1.42 -0.01 0.00 -0.52 0.00 0.00 52.55 50.83 1nsy s ASP 17 Cb 0.00 -1.91 0.48 0.00 -1.46 0.00 0.00 42.92 40.03 1nsy s ASP 17 CO 0.07 -0.44 1.83 1.55 0.52 0.00 0.00 175.17 178.70 1nsy h PRO 18 N 8.27 0.89 -0.25 4.34 0.13 -1.98 -0.03 132.00 143.38 1nsy h PRO 18 Ca -0.22 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.85 1nsy h PRO 18 Cb 1.08 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 1nsy h PRO 18 CO 0.68 0.59 0.12 -0.22 -0.23 0.00 0.00 178.00 178.94 1nsy h LYS 19 N 0.92 0.36 -0.30 0.86 3.11 -1.97 -1.98 116.57 117.57 1nsy h LYS 19 Ca 0.45 -0.05 -0.11 0.00 -2.81 0.00 0.00 60.65 58.13 1nsy h LYS 19 Cb 0.41 -0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 31.57 1nsy h LYS 19 CO -0.25 0.35 -0.27 0.37 -2.81 0.00 0.00 179.45 176.84 1nsy h GLN 20 N 0.27 0.61 -0.18 1.90 5.75 -1.87 -2.22 115.11 119.38 1nsy h GLN 20 Ca 0.09 -0.25 0.02 0.00 -0.15 0.00 0.00 58.65 58.35 1nsy h GLN 20 Cb 0.11 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.62 1nsy h GLN 20 CO -0.01 0.82 0.07 0.93 -2.65 0.00 0.00 178.83 177.99 1nsy h GLU 21 N 0.53 0.16 -0.55 1.69 4.39 -0.88 -1.51 114.58 118.42 1nsy h GLU 21 Ca 0.07 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.79 1nsy h GLU 21 Cb 0.74 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.32 1nsy h GLU 21 CO 0.06 0.10 0.32 0.82 -1.16 0.00 0.00 179.01 179.15 1nsy h ILE 22 N 0.16 1.03 -0.32 3.13 2.04 -1.22 -1.72 117.51 120.61 1nsy h ILE 22 Ca 0.08 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 1nsy h ILE 22 Cb 0.04 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 1nsy h ILE 22 CO -0.07 0.11 0.17 -0.33 0.00 0.00 0.00 178.15 178.04 1nsy h GLU 23 N 0.63 0.45 -0.43 2.37 5.08 -0.93 -2.13 114.58 119.62 1nsy h GLU 23 Ca 0.23 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.45 1nsy h GLU 23 Cb 0.06 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1nsy h GLU 23 CO -0.12 0.38 -0.06 -0.44 -1.00 0.00 0.00 179.01 177.78 1nsy h ASP 24 N 0.40 0.72 0.57 1.42 3.32 -1.21 -1.91 116.42 119.73 1nsy h ASP 24 Ca 0.11 -0.19 -0.17 0.00 0.02 0.00 0.00 57.03 56.80 1nsy h ASP 24 Cb 0.07 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1nsy h ASP 24 CO -0.02 0.83 -0.75 0.03 -1.72 0.00 0.00 179.24 177.62 1nsy h ARG 25 N 0.69 0.14 -0.10 3.56 3.08 -1.19 -1.50 114.38 119.06 1nsy h ARG 25 Ca 0.13 -0.13 -0.20 0.00 0.07 0.00 0.00 59.98 59.85 1nsy h ARG 25 Cb 0.51 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1nsy h ARG 25 CO 0.03 0.82 -0.75 0.28 -1.07 0.00 0.00 179.97 179.27 1nsy h VAL 26 N 0.09 1.34 -0.03 2.04 2.07 -1.36 -2.76 116.25 117.64 1nsy h VAL 26 Ca -0.02 -2.09 -0.08 0.00 0.82 0.00 0.00 66.70 65.32 1nsy h VAL 26 Cb 1.31 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 33.15 1nsy h VAL 26 CO 0.11 0.64 -0.37 0.78 0.02 0.00 0.00 177.57 178.75 1nsy h ASN 27 N 0.37 0.06 -0.15 0.57 2.35 -1.21 -1.61 115.58 115.97 1nsy h ASN 27 Ca -0.04 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.66 1nsy h ASN 27 Cb 1.35 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.70 1nsy h ASN 27 CO 0.14 0.44 -0.00 0.15 -1.65 0.00 0.00 177.43 176.50 1nsy h PHE 28 N 0.05 0.29 -0.37 1.19 3.57 -1.10 -0.82 116.94 119.76 1nsy h PHE 28 Ca 0.00 -0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.50 1nsy h PHE 28 Cb 0.69 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.31 1nsy h PHE 28 CO 0.00 0.49 0.11 -0.07 -2.23 0.00 0.00 178.31 176.62 1nsy h LEU 29 N -0.01 0.11 0.14 0.59 3.38 -1.32 -0.43 115.31 117.76 1nsy h LEU 29 Ca 0.04 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1nsy h LEU 29 Cb 0.38 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1nsy h LEU 29 CO 0.01 0.10 -0.10 0.11 0.09 0.00 0.00 178.44 178.64 1nsy h LYS 30 N 0.26 -0.24 -0.89 1.13 1.57 -1.21 -2.81 116.57 114.37 1nsy h LYS 30 Ca 0.17 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1nsy h LYS 30 Cb 0.16 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 1nsy h LYS 30 CO -0.19 -0.16 0.51 1.96 -0.57 0.00 0.00 179.45 181.00 1nsy h GLN 31 N -0.25 1.23 -0.29 3.15 4.20 -0.79 -2.78 115.11 119.58 1nsy h GLN 31 Ca -0.00 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.54 1nsy h GLN 31 Cb 0.22 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1nsy h GLN 31 CO -0.01 0.89 0.06 -0.92 -0.67 0.00 0.00 178.83 178.18 1nsy h TYR 32 N 1.24 0.51 -0.68 2.96 3.20 -1.04 -2.36 116.97 120.79 1nsy h TYR 32 Ca 0.32 -0.07 -0.02 0.00 3.14 0.00 0.00 58.73 62.10 1nsy h TYR 32 Cb -0.00 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.10 1nsy h TYR 32 CO 0.01 0.56 0.35 -0.24 -1.64 0.00 0.00 178.16 177.20 1nsy h VAL 33 N 0.31 1.22 -0.63 1.81 3.04 -1.50 -2.23 116.25 118.27 1nsy h VAL 33 Ca 0.09 -0.60 -0.07 0.00 -1.01 0.00 0.00 66.70 65.11 1nsy h VAL 33 Cb 0.32 0.36 -0.03 0.00 -2.01 0.00 0.00 31.29 29.94 1nsy h VAL 33 CO 0.00 0.25 0.12 0.50 -1.01 0.00 0.00 177.57 177.44 1nsy h LYS 34 N 0.94 1.03 -0.64 4.17 3.64 -1.45 0.50 116.57 124.77 1nsy h LYS 34 Ca 0.24 -0.27 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 1nsy h LYS 34 Cb 0.09 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 1nsy h LYS 34 CO -0.03 0.95 0.15 -0.22 -2.27 0.00 0.00 179.45 178.03 1nsy h LYS 35 N 0.95 1.00 0.00 1.90 3.11 -1.25 -2.92 116.57 119.37 1nsy h LYS 35 Ca 0.19 -0.23 -0.06 0.00 -2.81 0.00 0.00 60.65 57.74 1nsy h LYS 35 Cb 0.41 -0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 31.49 1nsy h LYS 35 CO 0.01 0.90 -0.88 1.79 -2.81 0.00 0.00 179.45 178.46 1nsy h THR 36 N 0.96 0.26 -0.08 1.00 1.35 -1.15 -3.48 112.91 111.75 1nsy h THR 36 Ca 0.20 -1.44 -0.04 0.00 -0.55 0.00 0.00 66.41 64.59 1nsy h THR 36 Cb 0.35 1.86 -0.01 0.00 -1.73 0.00 0.00 68.15 68.61 1nsy h THR 36 CO 0.00 0.15 -0.03 0.61 -0.25 0.00 0.00 175.52 175.99 1nsy n GLY 37 N 1.23 0.52 3.67 5.82 0.00 0.17 -5.03 105.19 111.58 1nsy n GLY 37 Ca -0.02 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 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 0.89 -1.83 4.61 0.00 -1.00 -4.98 121.76 117.40 1nsy s ALA 38 Ca 0.00 -0.38 0.18 0.00 0.00 0.00 0.00 51.96 51.76 1nsy s ALA 38 Cb 0.00 -3.11 0.38 0.00 0.00 0.00 0.00 23.12 20.39 1nsy s ALA 38 CO 0.00 -2.89 1.31 1.63 0.00 0.00 0.00 175.76 175.81 1nsy n LYS 39 N -4.21 2.36 -0.24 0.00 5.02 -0.22 -4.88 118.16 116.00 1nsy n LYS 39 Ca 0.05 -2.14 0.00 0.00 -2.02 0.00 0.00 58.31 54.20 1nsy n LYS 39 Cb 0.57 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 34.17 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 1.15 0.68 3.12 0.72 0.00 -1.26 -1.75 105.19 107.86 1nsy n GLY 40 Ca 0.16 -1.63 -0.10 0.00 0.00 0.00 0.00 46.02 44.46 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 -3.52 0.72 -0.00 1.61 0.08 -0.56 -1.55 117.98 114.76 1nsy s PHE 41 Ca 0.00 -0.91 0.03 0.00 0.12 0.00 0.00 56.93 56.18 1nsy s PHE 41 Cb 0.00 -0.45 -0.01 0.00 -0.57 0.00 0.00 43.02 41.99 1nsy s PHE 41 CO 0.00 -0.22 -0.11 0.54 -0.10 0.00 0.00 175.22 175.33 1nsy s VAL 42 N -3.40 0.84 -0.19 -0.44 0.11 -0.54 -0.89 120.40 115.89 1nsy s VAL 42 Ca 0.07 -0.51 -0.15 0.00 -2.93 0.00 0.00 61.98 58.46 1nsy s VAL 42 Cb 0.04 -0.72 0.05 0.00 -1.53 0.00 0.00 36.38 34.23 1nsy s VAL 42 CO -0.06 0.20 0.49 -0.22 -3.33 0.00 0.00 175.10 172.18 1nsy s LEU 43 N -0.36 -0.06 -0.11 2.54 2.96 -0.89 -2.18 118.68 120.57 1nsy s LEU 43 Ca 0.03 1.02 -0.30 0.00 -0.22 0.00 0.00 54.13 54.67 1nsy s LEU 43 Cb -0.05 1.66 -0.01 0.00 0.50 0.00 0.00 46.19 48.30 1nsy s LEU 43 CO -0.00 -0.19 1.02 -0.83 -1.32 0.00 0.00 176.35 175.03 1nsy s GLY 44 N 0.75 2.31 -0.38 7.98 0.00 -1.26 -0.83 107.32 115.89 1nsy s GLY 44 Ca -0.04 0.37 -0.13 0.00 0.00 0.00 0.00 44.72 44.93 1nsy s GLY 44 CO -0.06 1.94 0.24 -0.42 0.00 0.00 0.00 173.10 174.81 1nsy s ILE 45 N 2.09 4.87 -0.21 0.90 -1.09 0.10 -4.87 121.20 122.98 1nsy s ILE 45 Ca 0.48 -0.74 0.19 0.00 -2.23 0.00 0.00 60.65 58.35 1nsy s ILE 45 Cb -0.18 -3.70 0.01 0.00 -1.58 0.00 0.00 42.46 37.01 1nsy s ILE 45 CO 0.17 -0.24 1.10 0.77 -1.23 0.00 0.00 174.94 175.51 1nsy h SER 46 N 8.51 0.00 0.00 3.58 4.64 -1.92 -3.41 113.55 124.94 1nsy h SER 46 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1nsy h SER 46 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1nsy h SER 46 CO 0.69 0.28 0.00 0.61 -0.87 0.00 0.00 176.83 177.53 1nsy n GLY 47 N 1.25 0.37 3.92 -0.77 0.00 -1.26 -4.50 105.19 104.20 1nsy n GLY 47 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.41 1.65 0.09 -0.02 0.00 -1.26 -4.65 107.32 101.71 1nsy s GLY 48 Ca 0.00 -0.76 -0.29 0.00 0.00 0.00 0.00 44.72 43.67 1nsy s GLY 48 CO 0.00 -0.39 1.64 -1.61 0.00 0.00 0.00 173.10 172.75 1nsy h GLN 49 N -0.52 -0.56 -0.03 2.90 4.15 -1.92 -2.70 115.11 116.44 1nsy h GLN 49 Ca -0.45 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.01 1nsy h GLN 49 Cb 1.29 0.13 -0.00 0.00 0.21 0.00 0.00 27.48 29.10 1nsy h GLN 49 CO 0.61 -0.37 0.00 -0.44 -1.93 0.00 0.00 178.83 176.71 1nsy h ASP 50 N -0.58 -0.00 0.21 -0.69 3.32 -1.94 -1.21 116.42 115.54 1nsy h ASP 50 Ca -0.02 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.96 1nsy h ASP 50 Cb 0.51 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 1nsy h ASP 50 CO -0.03 0.00 -0.30 0.77 -1.72 0.00 0.00 179.24 177.96 1nsy h SER 51 N 0.01 0.15 -0.47 6.45 4.64 -1.91 0.87 113.55 123.29 1nsy h SER 51 Ca 0.01 -0.05 -0.12 0.00 -0.47 0.00 0.00 61.79 61.17 1nsy h SER 51 Cb 0.01 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 1nsy h SER 51 CO -0.02 0.45 -0.17 0.74 -0.87 0.00 0.00 176.83 176.97 1nsy h THR 52 N 0.13 1.27 0.11 2.95 2.02 -1.32 0.20 112.91 118.28 1nsy h THR 52 Ca 0.02 -1.31 -0.01 0.00 0.77 0.00 0.00 66.41 65.88 1nsy h THR 52 Cb 0.61 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 1nsy h THR 52 CO 0.04 0.45 -0.05 0.25 0.37 0.00 0.00 175.52 176.58 1nsy h LEU 53 N 0.78 -0.13 -0.85 2.58 5.85 -0.86 -2.17 115.31 120.51 1nsy h LEU 53 Ca 0.11 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.47 1nsy h LEU 53 Cb 0.73 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 1nsy h LEU 53 CO 0.06 0.28 0.40 0.00 -0.34 0.00 0.00 178.44 178.84 1nsy h ALA 54 N 0.27 1.10 -0.53 1.25 0.00 -0.81 -2.02 119.26 118.51 1nsy h ALA 54 Ca -0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1nsy h ALA 54 Cb 0.44 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1nsy h ALA 54 CO 0.02 0.67 0.29 0.78 0.00 0.00 0.00 179.25 181.01 1nsy h GLY 55 N 1.22 0.80 1.19 0.00 0.00 -0.62 -1.42 103.07 104.23 1nsy h GLY 55 Ca 0.29 -0.36 -0.12 0.00 0.00 0.00 0.00 47.33 47.14 1nsy h GLY 55 CO -0.04 0.35 -0.16 -0.09 0.00 0.00 0.00 176.54 176.60 1nsy h ARG 56 N 0.71 0.93 -0.84 4.80 9.65 -1.11 -1.91 114.38 126.62 1nsy h ARG 56 Ca 0.19 -0.36 0.01 0.00 -1.10 0.00 0.00 59.98 58.71 1nsy h ARG 56 Cb 0.05 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.54 1nsy h ARG 56 CO -0.03 1.02 0.55 -0.07 2.80 0.00 0.00 179.97 184.24 1nsy h LEU 57 N 0.82 0.97 -0.35 3.80 3.38 -1.07 -0.97 115.31 121.90 1nsy h LEU 57 Ca 0.12 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1nsy h LEU 57 Cb 0.70 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1nsy h LEU 57 CO 0.05 0.71 0.21 0.00 0.09 0.00 0.00 178.44 179.51 1nsy h ALA 58 N 1.30 0.44 -0.88 1.53 0.00 -1.08 -0.54 119.26 120.02 1nsy h ALA 58 Ca 0.31 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1nsy h ALA 58 Cb -0.12 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 1nsy h ALA 58 CO -0.07 -0.13 0.48 0.37 0.00 0.00 0.00 179.25 179.90 1nsy h GLN 59 N 0.44 1.24 -0.34 0.00 5.75 -0.93 -1.34 115.11 119.92 1nsy h GLN 59 Ca 0.13 -0.15 -0.10 0.00 -0.15 0.00 0.00 58.65 58.38 1nsy h GLN 59 Cb -0.02 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 28.27 1nsy h GLN 59 CO -0.05 0.91 -0.20 -0.07 -2.65 0.00 0.00 178.83 176.78 1nsy h LEU 60 N 1.24 0.63 -0.47 -2.39 3.38 -0.96 -2.26 115.31 114.48 1nsy h LEU 60 Ca 0.31 -0.21 -0.14 0.00 0.09 0.00 0.00 57.88 57.93 1nsy h LEU 60 Cb 0.04 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1nsy h LEU 60 CO -0.05 0.83 -0.27 0.00 0.09 0.00 0.00 178.44 179.05 1nsy h ALA 61 N 1.22 0.66 -0.00 1.53 0.00 -0.09 -1.90 119.26 120.68 1nsy h ALA 61 Ca 0.09 -0.41 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 1nsy h ALA 61 Cb 0.65 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1nsy h ALA 61 CO 0.05 0.68 -0.59 -0.39 0.00 0.00 0.00 179.25 178.99 1nsy h VAL 62 N 0.83 1.42 -0.32 0.00 -1.51 -1.25 -2.44 116.25 112.99 1nsy h VAL 62 Ca 0.10 -2.03 -0.10 0.00 -1.23 0.00 0.00 66.70 63.44 1nsy h VAL 62 Cb 0.85 2.09 -0.01 0.00 -2.13 0.00 0.00 31.29 32.10 1nsy h VAL 62 CO 0.08 0.58 -0.18 -0.33 -1.23 0.00 0.00 177.57 176.48 1nsy h GLU 63 N 0.01 0.68 -0.70 5.19 5.08 -1.28 -2.42 114.58 121.14 1nsy h GLU 63 Ca -0.01 -0.31 0.02 0.00 -1.00 0.00 0.00 59.36 58.06 1nsy h GLU 63 Cb 1.05 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.25 1nsy h GLU 63 CO 0.08 0.91 0.45 1.03 -1.00 0.00 0.00 179.01 180.48 1nsy h SER 64 N 0.45 0.76 -0.83 1.42 0.87 -1.27 -0.97 113.55 113.98 1nsy h SER 64 Ca 0.07 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.59 1nsy h SER 64 Cb 0.72 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.47 1nsy h SER 64 CO 0.05 0.54 0.42 0.40 -0.53 0.00 0.00 176.83 177.71 1nsy h ILE 65 N 0.90 1.25 -0.05 2.23 2.04 -1.31 -1.72 117.51 120.86 1nsy h ILE 65 Ca 0.27 -0.68 -0.16 0.00 1.00 0.00 0.00 64.86 65.29 1nsy h ILE 65 Cb -0.04 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.19 1nsy h ILE 65 CO -0.08 0.30 -0.67 0.03 0.00 0.00 0.00 178.15 177.72 1nsy h ARG 66 N 1.18 0.21 -0.85 2.37 3.08 -1.12 0.20 114.38 119.45 1nsy h ARG 66 Ca 0.29 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 1nsy h ARG 66 Cb 0.08 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 1nsy h ARG 66 CO -0.04 0.80 0.52 1.49 -1.07 0.00 0.00 179.97 181.67 1nsy h GLU 67 N 0.14 1.14 -0.11 0.04 4.81 -0.81 0.16 114.58 119.96 1nsy h GLU 67 Ca -0.02 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1nsy h GLU 67 Cb 1.21 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.34 1nsy h GLU 67 CO 0.10 0.80 0.00 0.39 -0.73 0.00 0.00 179.01 179.57 1nsy n GLU 68 N -4.44 0.84 -1.00 1.92 1.02 -0.68 -4.84 120.64 113.46 1nsy n GLU 68 Ca 0.09 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1nsy n GLU 68 Cb 0.05 -1.05 -0.00 0.00 -0.02 0.00 0.00 31.44 30.42 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 0.31 0.48 2.23 0.62 0.00 0.54 -5.05 105.19 104.33 1nsy n GLY 69 Ca 0.00 -0.07 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.89 0.13 2.92 -0.02 0.00 0.70 -4.96 105.19 101.07 1nsy n GLY 70 Ca -0.00 -1.91 -0.28 0.00 0.00 0.00 0.00 46.02 43.83 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 -3.47 2.58 0.00 1.61 2.15 -1.26 -4.10 116.67 114.18 1nsy s ASP 71 Ca 0.40 -0.50 -0.23 0.00 0.43 0.00 0.00 52.55 52.65 1nsy s ASP 71 Cb -0.02 -0.95 0.05 0.00 -0.30 0.00 0.00 42.92 41.70 1nsy s ASP 71 CO 0.27 -0.14 0.50 0.00 -0.17 0.00 0.00 175.17 175.64 1nsy s ALA 72 N 1.62 -1.29 0.07 3.66 0.00 -1.26 -4.79 121.76 119.77 1nsy s ALA 72 Ca 0.03 0.70 -0.08 0.00 0.00 0.00 0.00 51.96 52.62 1nsy s ALA 72 Cb -0.14 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.17 1nsy s ALA 72 CO -0.08 -0.40 0.16 1.14 0.00 0.00 0.00 175.76 176.57 1nsy s GLN 73 N -1.83 0.76 -0.12 0.00 -2.07 -0.71 -4.90 119.66 110.78 1nsy s GLN 73 Ca -0.09 -0.90 0.02 0.00 -1.82 0.00 0.00 55.36 52.57 1nsy s GLN 73 Cb -0.02 0.31 0.01 0.00 -1.09 0.00 0.00 33.01 32.23 1nsy s GLN 73 CO 0.03 -0.22 -0.17 0.12 -1.32 0.00 0.00 175.29 173.72 1nsy s PHE 74 N -3.49 2.24 -0.27 9.60 5.36 -1.26 -1.50 117.98 128.66 1nsy s PHE 74 Ca 0.02 -1.11 -0.07 0.00 -0.96 0.00 0.00 56.93 54.81 1nsy s PHE 74 Cb 0.03 -1.58 -0.01 0.00 -0.34 0.00 0.00 43.02 41.13 1nsy s PHE 74 CO -0.09 -0.55 0.07 0.42 -1.46 0.00 0.00 175.22 173.61 1nsy s ILE 75 N 0.99 4.04 -0.06 3.12 1.01 -0.07 -2.30 121.20 127.93 1nsy s ILE 75 Ca -0.05 -0.48 -0.14 0.00 0.00 0.00 0.00 60.65 59.98 1nsy s ILE 75 Cb -0.15 -2.99 -0.05 0.00 0.01 0.00 0.00 42.46 39.28 1nsy s ILE 75 CO -0.03 0.21 0.36 0.00 0.00 0.00 0.00 174.94 175.48 1nsy s ALA 76 N 1.54 3.67 -0.04 9.38 0.00 0.07 -2.09 121.76 134.29 1nsy s ALA 76 Ca 0.04 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 51.70 1nsy s ALA 76 Cb -0.16 -2.38 0.02 0.00 0.00 0.00 0.00 23.12 20.61 1nsy s ALA 76 CO 0.02 0.36 -0.02 0.54 0.00 0.00 0.00 175.76 176.65 1nsy s VAL 77 N -0.54 0.39 0.14 0.00 0.11 -0.01 0.21 120.40 120.71 1nsy s VAL 77 Ca 0.22 -0.02 -0.25 0.00 -2.93 0.00 0.00 61.98 58.99 1nsy s VAL 77 Cb -0.15 -0.45 -0.08 0.00 -1.53 0.00 0.00 36.38 34.17 1nsy s VAL 77 CO 0.10 0.20 0.76 -0.13 -3.33 0.00 0.00 175.10 172.70 1nsy s ARG 78 N 1.05 4.53 -0.41 1.54 1.81 -0.57 -0.73 118.95 126.19 1nsy s ARG 78 Ca -0.09 1.12 0.11 0.00 -1.72 0.00 0.00 55.73 55.14 1nsy s ARG 78 Cb -0.14 -3.27 0.36 0.00 -0.45 0.00 0.00 34.95 31.45 1nsy s ARG 78 CO -0.01 0.54 0.80 1.28 -0.68 0.00 0.00 175.30 177.23 1nsy n LEU 79 N 1.76 1.69 -4.76 2.53 4.77 -1.26 -1.76 117.00 119.97 1nsy n LEU 79 Ca -0.06 -5.04 -0.32 0.00 -0.03 0.00 0.00 56.01 50.57 1nsy n LEU 79 Cb 0.49 0.42 0.08 0.00 -2.33 0.00 0.00 43.42 42.08 1nsy n LEU 79 CO 0.46 2.24 0.71 -2.16 -1.33 0.00 0.00 177.39 177.31 1nsy s PRO 80 N -2.72 2.34 -0.74 3.23 0.04 -1.26 -4.70 135.00 131.20 1nsy s PRO 80 Ca 0.41 1.26 -0.05 0.00 0.04 0.00 0.00 61.00 62.66 1nsy s PRO 80 Cb 0.35 -1.90 0.19 0.00 0.04 0.00 0.00 34.50 33.17 1nsy s PRO 80 CO -0.08 -1.59 0.60 -1.58 0.04 0.00 0.00 177.00 174.38 1nsy s HIS 81 N -2.71 3.59 0.00 0.56 2.46 -1.26 -1.39 115.29 116.54 1nsy s HIS 81 Ca 0.63 -2.65 0.00 0.00 0.47 0.00 0.00 55.06 53.52 1nsy s HIS 81 Cb -0.19 -3.35 0.00 0.00 -0.13 0.00 0.00 32.58 28.92 1nsy s HIS 81 CO 0.52 -0.85 0.00 0.41 -2.47 0.00 0.00 174.74 172.35 1nsy n GLY 82 N 3.30 1.69 3.49 1.59 0.00 -1.26 -4.63 105.19 109.37 1nsy n GLY 82 Ca 0.12 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 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 4.57 -0.03 2.61 2.01 -1.26 -5.02 115.64 118.52 1nsy s THR 83 Ca 0.00 -0.02 -0.30 0.00 0.31 0.00 0.00 61.69 61.68 1nsy s THR 83 Cb 0.00 -4.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.02 1nsy s THR 83 CO 0.00 -1.00 1.18 -1.58 -0.69 0.00 0.00 174.62 172.52 1nsy s GLN 84 N 3.46 4.38 0.23 4.92 0.74 -1.26 -4.93 119.66 127.19 1nsy s GLN 84 Ca 0.25 1.66 -0.07 0.00 0.05 0.00 0.00 55.36 57.25 1nsy s GLN 84 Cb -0.15 -3.51 0.20 0.00 1.10 0.00 0.00 33.01 30.64 1nsy s GLN 84 CO 0.16 -0.38 1.84 0.37 -0.55 0.00 0.00 175.29 176.73 1nsy h GLN 85 N 7.29 1.22 -1.25 1.67 4.15 -1.97 -2.94 115.11 123.28 1nsy h GLN 85 Ca -0.36 -0.15 -0.69 0.00 0.77 0.00 0.00 58.65 58.22 1nsy h GLN 85 Cb 1.17 -0.24 -0.30 0.00 0.21 0.00 0.00 27.48 28.33 1nsy h GLN 85 CO 0.86 0.90 0.78 -0.40 -1.93 0.00 0.00 178.83 179.04 1nsy n ASP 86 N -4.35 7.42 0.08 -0.69 5.75 -1.26 -4.66 116.55 118.84 1nsy n ASP 86 Ca 0.09 -3.80 0.06 0.00 -0.01 0.00 0.00 54.79 51.13 1nsy n ASP 86 Cb 0.10 -0.95 0.51 0.00 -1.03 0.00 0.00 41.12 39.75 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 2.28 0.34 -0.95 0.11 4.57 -1.88 -1.97 114.58 117.08 1nsy h GLU 87 Ca 0.58 -0.02 0.12 0.00 -1.18 0.00 0.00 59.36 58.85 1nsy h GLU 87 Cb 0.66 -0.08 -0.08 0.00 -0.16 0.00 0.00 28.75 29.10 1nsy h GLU 87 CO 1.49 0.22 0.61 -0.44 -1.18 0.00 0.00 179.01 179.71 1nsy h ASP 88 N 0.35 0.84 0.36 1.04 3.32 -1.88 0.14 116.42 120.59 1nsy h ASP 88 Ca 0.11 0.04 -0.13 0.00 0.02 0.00 0.00 57.03 57.07 1nsy h ASP 88 Cb 0.02 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1nsy h ASP 88 CO -0.02 0.46 -0.53 0.44 -1.72 0.00 0.00 179.24 177.86 1nsy h ASP 89 N 0.91 0.21 -0.24 6.45 3.32 -1.70 -0.94 116.42 124.42 1nsy h ASP 89 Ca 0.46 -0.11 -0.09 0.00 0.02 0.00 0.00 57.03 57.31 1nsy h ASP 89 Cb 0.50 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.99 1nsy h ASP 89 CO -0.22 0.71 -0.21 0.00 -1.72 0.00 0.00 179.24 177.79 1nsy h ALA 90 N 1.30 0.35 -0.22 3.45 0.00 -0.89 0.40 119.26 123.64 1nsy h ALA 90 Ca 0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1nsy h ALA 90 Cb 0.99 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1nsy h ALA 90 CO 0.08 0.30 -0.05 1.96 0.00 0.00 0.00 179.25 181.54 1nsy h GLN 91 N 0.28 0.34 -0.27 0.00 1.08 -0.70 -0.61 115.11 115.23 1nsy h GLN 91 Ca 0.04 -0.07 -0.18 0.00 -1.45 0.00 0.00 58.65 57.00 1nsy h GLN 91 Cb 0.76 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 28.13 1nsy h GLN 91 CO 0.05 0.41 -0.53 1.25 -0.95 0.00 0.00 178.83 179.06 1nsy h LEU 92 N 0.33 0.88 -0.30 1.46 5.85 -0.63 -2.51 115.31 120.38 1nsy h LEU 92 Ca 0.07 -0.46 0.03 0.00 0.84 0.00 0.00 57.88 58.36 1nsy h LEU 92 Cb 0.30 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1nsy h LEU 92 CO 0.01 1.24 0.12 0.00 -0.34 0.00 0.00 178.44 179.47 1nsy h ALA 93 N 0.78 0.35 -0.80 1.25 0.00 -0.57 -1.78 119.26 118.50 1nsy h ALA 93 Ca 0.02 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1nsy h ALA 93 Cb 1.12 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 1nsy h ALA 93 CO 0.11 -0.28 0.52 -0.07 0.00 0.00 0.00 179.25 179.54 1nsy h LEU 94 N 0.26 0.87 -1.02 0.00 3.38 -1.01 0.15 115.31 117.95 1nsy h LEU 94 Ca 0.13 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1nsy h LEU 94 Cb 0.09 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1nsy h LEU 94 CO -0.12 0.61 0.49 0.11 0.09 0.00 0.00 178.44 179.62 1nsy h LYS 95 N 1.03 1.17 -0.18 1.13 1.57 -0.94 -0.09 116.57 120.26 1nsy h LYS 95 Ca 0.31 -0.12 -0.20 0.00 -1.87 0.00 0.00 60.65 58.77 1nsy h LYS 95 Cb -0.04 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.04 1nsy h LYS 95 CO -0.10 0.84 -0.67 0.35 -0.57 0.00 0.00 179.45 179.30 1nsy h PHE 96 N 1.19 0.94 -0.03 -1.35 3.57 -0.97 -3.33 116.94 116.96 1nsy h PHE 96 Ca 0.30 -0.38 -0.22 0.00 3.53 0.00 0.00 57.97 61.21 1nsy h PHE 96 Cb -0.01 -0.16 0.02 0.00 2.79 0.00 0.00 35.95 38.58 1nsy h PHE 96 CO 0.01 1.19 -0.82 0.82 -2.23 0.00 0.00 178.31 177.27 1nsy h ILE 97 N 0.52 1.33 -5.65 1.41 2.04 -0.38 -3.49 117.51 113.29 1nsy h ILE 97 Ca -0.02 -2.12 -0.31 0.00 1.00 0.00 0.00 64.86 63.41 1nsy h ILE 97 Cb 1.28 2.37 0.17 0.00 -0.74 0.00 0.00 36.82 39.90 1nsy h ILE 97 CO 0.14 0.64 -0.82 0.29 0.00 0.00 0.00 178.15 178.40 1nsy n LYS 98 N -4.01 -4.34 -1.83 2.37 5.02 -0.08 -4.87 118.16 110.42 1nsy n LYS 98 Ca -0.10 0.81 -0.33 0.00 -2.02 0.00 0.00 58.31 56.67 1nsy n LYS 98 Cb 0.77 -5.68 0.04 0.00 -0.02 0.00 0.00 35.03 30.14 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 -5.07 2.87 0.23 1.97 0.04 -1.26 -4.92 135.00 128.86 1nsy s PRO 99 Ca 0.22 1.46 -0.07 0.00 0.04 0.00 0.00 61.00 62.65 1nsy s PRO 99 Cb -0.03 -1.95 0.37 0.00 0.04 0.00 0.00 34.50 32.92 1nsy s PRO 99 CO 0.75 -1.21 1.75 -0.44 0.04 0.00 0.00 177.00 177.89 1nsy h ASP 100 N 0.23 0.33 -4.11 6.66 3.32 -1.92 -3.42 116.42 117.52 1nsy h ASP 100 Ca -0.47 0.08 -0.30 0.00 0.02 0.00 0.00 57.03 56.36 1nsy h ASP 100 Cb 1.25 0.04 -0.27 0.00 0.22 0.00 0.00 39.33 40.58 1nsy h ASP 100 CO 0.54 0.17 -0.74 -0.54 -1.72 0.00 0.00 179.24 176.95 1nsy s LYS 101 N -6.05 0.39 -0.26 3.56 1.02 -0.97 -5.02 119.74 112.40 1nsy s LYS 101 Ca -0.13 -0.30 0.02 0.00 0.02 0.00 0.00 55.97 55.59 1nsy s LYS 101 Cb 0.19 -0.31 0.06 0.00 -0.52 0.00 0.00 37.83 37.25 1nsy s LYS 101 CO 0.76 0.08 -0.08 -1.12 -0.92 0.00 0.00 175.35 174.07 1nsy s SER 102 N -0.46 4.33 0.55 2.83 0.01 -1.26 -0.75 113.70 118.94 1nsy s SER 102 Ca -0.01 -1.41 0.08 0.00 1.31 0.00 0.00 55.95 55.91 1nsy s SER 102 Cb -0.04 -1.46 0.06 0.00 0.21 0.00 0.00 66.02 64.79 1nsy s SER 102 CO -0.00 -0.22 0.59 0.26 0.41 0.00 0.00 173.24 174.28 1nsy s TRP 103 N 1.16 1.63 -0.06 2.43 0.52 0.13 -4.98 118.94 119.78 1nsy s TRP 103 Ca -0.06 -0.75 -0.09 0.00 0.02 0.00 0.00 56.10 55.22 1nsy s TRP 103 Cb -0.20 -2.08 0.02 0.00 -1.15 0.00 0.00 33.47 30.06 1nsy s TRP 103 CO -0.06 -0.77 0.22 0.21 0.02 0.00 0.00 176.95 176.57 1nsy s LYS 104 N -4.45 0.36 -0.29 4.98 2.20 -1.26 -1.51 119.74 119.77 1nsy s LYS 104 Ca 0.49 0.09 0.00 0.00 -0.36 0.00 0.00 55.97 56.18 1nsy s LYS 104 Cb -0.04 0.17 0.14 0.00 -1.51 0.00 0.00 37.83 36.59 1nsy s LYS 104 CO 0.30 -0.07 0.32 0.12 -0.36 0.00 0.00 175.35 175.66 1nsy s PHE 105 N -0.40 -0.58 -0.10 4.03 2.19 -0.72 -4.95 117.98 117.45 1nsy s PHE 105 Ca -0.05 -0.07 -0.30 0.00 0.33 0.00 0.00 56.93 56.84 1nsy s PHE 105 Cb -0.03 -0.40 -0.02 0.00 -1.31 0.00 0.00 43.02 41.26 1nsy s PHE 105 CO 0.01 -0.94 1.07 0.34 1.83 0.00 0.00 175.22 177.54 1nsy s ASP 106 N 2.40 7.18 0.00 6.13 -1.08 -1.26 -3.99 116.67 126.04 1nsy s ASP 106 Ca 0.09 1.61 0.17 0.00 -0.52 0.00 0.00 52.55 53.91 1nsy s ASP 106 Cb -0.14 -2.56 0.54 0.00 -1.46 0.00 0.00 42.92 39.30 1nsy s ASP 106 CO -0.32 -0.50 1.42 2.30 0.52 0.00 0.00 175.17 178.58 1nsy n ILE 107 N 4.61 0.41 -0.06 4.11 -5.35 -0.49 -4.55 119.36 118.04 1nsy n ILE 107 Ca 0.10 -0.49 -0.10 0.00 -0.27 0.00 0.00 62.75 61.98 1nsy n ILE 107 Cb 0.48 0.39 -0.04 0.00 -1.74 0.00 0.00 39.64 38.73 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 2.57 0.32 -0.32 6.28 3.64 -1.89 -1.81 116.57 125.35 1nsy h LYS 108 Ca 0.00 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 1nsy h LYS 108 Cb 0.57 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 1nsy h LYS 108 CO 0.00 0.35 -0.04 0.66 -2.27 0.00 0.00 179.45 178.16 1nsy h SER 109 N 0.20 0.48 -0.00 4.20 4.64 -1.98 0.22 113.55 121.32 1nsy h SER 109 Ca 0.07 -0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1nsy h SER 109 Cb 0.15 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1nsy h SER 109 CO -0.01 0.58 -0.00 0.74 -0.87 0.00 0.00 176.83 177.27 1nsy h THR 110 N 0.48 1.41 -0.52 2.95 2.02 -1.86 -2.03 112.91 115.36 1nsy h THR 110 Ca 0.10 -1.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.06 1nsy h THR 110 Cb 0.37 2.23 -0.03 0.00 -1.74 0.00 0.00 68.15 68.99 1nsy h THR 110 CO 0.02 0.32 0.30 0.58 0.37 0.00 0.00 175.52 177.10 1nsy h VAL 111 N -0.51 1.15 -0.41 3.16 2.07 -1.08 -0.58 116.25 120.04 1nsy h VAL 111 Ca 0.00 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 1nsy h VAL 111 Cb 0.52 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1nsy h VAL 111 CO 0.00 0.16 0.09 0.28 0.02 0.00 0.00 177.57 178.12 1nsy h SER 112 N 0.72 0.64 -0.69 0.57 0.02 -0.48 -0.77 113.55 113.56 1nsy h SER 112 Ca 0.19 -0.24 -0.06 0.00 -0.84 0.00 0.00 61.79 60.84 1nsy h SER 112 Cb -0.01 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 1nsy h SER 112 CO -0.03 0.71 0.19 0.00 -1.14 0.00 0.00 176.83 176.56 1nsy h ALA 113 N 0.95 0.91 -0.74 3.77 0.00 -0.72 -0.10 119.26 123.32 1nsy h ALA 113 Ca 0.13 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1nsy h ALA 113 Cb 0.33 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1nsy h ALA 113 CO 0.00 0.60 0.32 0.35 0.00 0.00 0.00 179.25 180.53 1nsy h PHE 114 N 1.02 1.11 -0.10 0.00 3.04 -0.81 -2.14 116.94 119.06 1nsy h PHE 114 Ca 0.22 -0.07 -0.01 0.00 3.98 0.00 0.00 57.97 62.08 1nsy h PHE 114 Cb 0.33 -0.34 -0.00 0.00 2.56 0.00 0.00 35.95 38.50 1nsy h PHE 114 CO 0.03 0.83 0.00 0.77 -2.02 0.00 0.00 178.31 177.92 1nsy h SER 115 N 1.06 0.16 -0.61 0.41 0.02 -0.63 -1.57 113.55 112.39 1nsy h SER 115 Ca 0.25 -0.30 0.04 0.00 -0.84 0.00 0.00 61.79 60.93 1nsy h SER 115 Cb 0.18 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.63 1nsy h SER 115 CO -0.02 0.43 0.35 0.44 -1.14 0.00 0.00 176.83 176.89 1nsy h ASP 116 N -0.10 0.56 -0.92 3.07 3.32 -0.94 -2.45 116.42 118.96 1nsy h ASP 116 Ca 0.03 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 1nsy h ASP 116 Cb 0.34 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.75 1nsy h ASP 116 CO 0.00 0.38 0.51 -0.61 -1.72 0.00 0.00 179.24 177.81 1nsy h GLN 117 N 0.69 1.27 -0.26 3.56 5.75 -1.32 -1.77 115.11 123.03 1nsy h GLN 117 Ca 0.26 -0.14 0.04 0.00 -0.15 0.00 0.00 58.65 58.65 1nsy h GLN 117 Cb 0.08 -0.25 -0.03 0.00 1.07 0.00 0.00 27.48 28.34 1nsy h GLN 117 CO -0.13 0.92 0.05 -0.92 -2.65 0.00 0.00 178.83 176.10 1nsy h TYR 118 N 1.28 0.08 -0.13 3.99 3.20 -0.89 0.93 116.97 125.44 1nsy h TYR 118 Ca 0.32 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 62.07 1nsy h TYR 118 Cb 0.01 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 1nsy h TYR 118 CO 0.01 0.02 -0.50 0.37 -1.64 0.00 0.00 178.16 176.41 1nsy h GLN 119 N 0.14 0.35 -0.46 1.82 4.15 -1.28 -0.89 115.11 118.94 1nsy h GLN 119 Ca 0.12 -0.20 -0.12 0.00 0.77 0.00 0.00 58.65 59.22 1nsy h GLN 119 Cb 0.12 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 1nsy h GLN 119 CO -0.16 0.77 -0.18 0.37 -1.93 0.00 0.00 178.83 177.70 1nsy h GLN 120 N 0.28 0.89 0.17 1.69 4.15 -0.94 0.90 115.11 122.25 1nsy h GLN 120 Ca 0.01 -0.35 -0.30 0.00 0.77 0.00 0.00 58.65 58.78 1nsy h GLN 120 Cb 0.98 -0.05 0.02 0.00 0.21 0.00 0.00 27.48 28.65 1nsy h GLN 120 CO 0.08 1.00 -1.32 0.93 -1.93 0.00 0.00 178.83 177.59 1nsy h GLU 121 N 0.78 0.46 0.00 1.69 4.39 -0.62 -3.38 114.58 117.90 1nsy h GLU 121 Ca 0.11 -0.72 -0.09 0.00 0.34 0.00 0.00 59.36 59.00 1nsy h GLU 121 Cb 0.72 0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 29.61 1nsy h GLU 121 CO 0.06 1.33 -1.93 0.25 -1.16 0.00 0.00 179.01 177.56 1nsy n THR 122 N -3.67 0.35 -0.95 1.13 -2.24 -0.36 -4.99 114.28 103.56 1nsy n THR 122 Ca -0.13 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 1nsy n THR 122 Cb 1.04 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 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 1.62 0.52 3.53 3.38 0.00 0.31 -5.04 105.19 109.52 1nsy n GLY 123 Ca -0.11 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.04 4.18 0.10 1.61 1.01 -1.24 -5.01 116.67 115.27 1nsy s ASP 124 Ca 0.00 -0.37 -0.17 0.00 0.71 0.00 0.00 52.55 52.72 1nsy s ASP 124 Cb 0.00 -0.77 -0.07 0.00 1.01 0.00 0.00 42.92 43.09 1nsy s ASP 124 CO 0.00 0.23 0.55 -1.58 0.21 0.00 0.00 175.17 174.58 1nsy s GLN 125 N -1.77 4.09 0.32 8.23 0.74 -1.26 -3.50 119.66 126.51 1nsy s GLN 125 Ca 0.18 0.61 -0.29 0.00 0.05 0.00 0.00 55.36 55.91 1nsy s GLN 125 Cb -0.11 -3.11 -0.10 0.00 1.10 0.00 0.00 33.01 30.79 1nsy s GLN 125 CO 0.09 0.58 1.38 -0.51 -0.55 0.00 0.00 175.29 176.28 1nsy s LEU 126 N -1.46 4.39 0.74 3.68 1.43 -1.26 -5.01 118.68 121.20 1nsy s LEU 126 Ca 0.32 2.77 -0.11 0.00 -1.03 0.00 0.00 54.13 56.08 1nsy s LEU 126 Cb -0.17 -3.65 0.04 0.00 0.03 0.00 0.00 46.19 42.44 1nsy s LEU 126 CO 0.19 -0.66 1.08 0.42 0.23 0.00 0.00 176.35 177.61 1nsy s THR 127 N -0.82 3.56 0.21 5.49 -4.23 -1.26 -4.79 115.64 113.79 1nsy s THR 127 Ca 0.53 0.51 -0.09 0.00 -1.18 0.00 0.00 61.69 61.45 1nsy s THR 127 Cb -0.42 -3.28 0.14 0.00 1.34 0.00 0.00 72.50 70.29 1nsy s THR 127 CO 0.53 -0.66 1.81 -0.78 -0.54 0.00 0.00 174.62 174.98 1nsy h ASP 128 N -0.88 0.57 -0.42 3.99 3.58 -1.98 0.16 116.42 121.44 1nsy h ASP 128 Ca -0.45 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.02 1nsy h ASP 128 Cb 1.24 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 42.18 1nsy h ASP 128 CO 0.59 0.37 0.24 0.15 -2.88 0.00 0.00 179.24 177.71 1nsy h PHE 129 N 0.70 0.56 -0.07 0.28 3.57 -1.97 -1.29 116.94 118.72 1nsy h PHE 129 Ca 0.29 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.70 1nsy h PHE 129 Cb 0.16 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 1nsy h PHE 129 CO -0.07 0.41 -0.37 -0.91 -2.23 0.00 0.00 178.31 175.14 1nsy h ASN 130 N 0.55 0.14 0.68 0.41 2.35 -1.76 -2.16 115.58 115.80 1nsy h ASN 130 Ca 0.15 -0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 55.75 1nsy h ASN 130 Cb 0.03 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1nsy h ASN 130 CO -0.03 0.51 -0.44 0.50 -1.65 0.00 0.00 177.43 176.32 1nsy h LYS 131 N 0.12 0.00 -0.24 0.81 3.64 -0.52 -2.23 116.57 118.16 1nsy h LYS 131 Ca 0.01 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.23 1nsy h LYS 131 Cb 0.72 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.53 1nsy h LYS 131 CO 0.05 0.44 -0.51 0.78 -2.27 0.00 0.00 179.45 177.94 1nsy h GLY 132 N 1.81 0.72 2.00 5.01 0.00 -0.61 -1.12 103.07 110.88 1nsy h GLY 132 Ca -0.00 -0.81 -0.08 0.00 0.00 0.00 0.00 47.33 46.43 1nsy h GLY 132 CO 0.06 0.73 -0.38 3.43 0.00 0.00 0.00 176.54 180.38 1nsy h ASN 133 N 0.52 0.00 -0.38 0.19 2.35 -1.18 -2.31 115.58 114.77 1nsy h ASN 133 Ca 0.02 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.62 1nsy h ASN 133 Cb 1.07 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.43 1nsy h ASN 133 CO 0.10 0.38 -0.36 0.58 -1.65 0.00 0.00 177.43 176.48 1nsy h VAL 134 N 0.00 1.27 -0.50 2.81 2.07 -0.84 -1.53 116.25 119.53 1nsy h VAL 134 Ca -0.00 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 65.99 1nsy h VAL 134 Cb 0.90 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 1nsy h VAL 134 CO 0.05 0.51 0.33 0.11 0.02 0.00 0.00 177.57 178.59 1nsy h LYS 135 N 0.73 0.66 -0.37 1.57 1.57 -0.96 -0.92 116.57 118.86 1nsy h LYS 135 Ca 0.06 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 1nsy h LYS 135 Cb 0.95 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.09 1nsy h LYS 135 CO 0.09 0.44 -0.06 0.00 -0.57 0.00 0.00 179.45 179.36 1nsy h ALA 136 N 1.18 1.22 -0.01 3.86 0.00 -1.17 -2.45 119.26 121.90 1nsy h ALA 136 Ca 0.18 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 1nsy h ALA 136 Cb -0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1nsy h ALA 136 CO -0.04 0.51 -0.65 0.00 0.00 0.00 0.00 179.25 179.07 1nsy h ARG 137 N 0.57 0.03 -0.16 0.00 3.08 -1.02 -2.94 114.38 113.94 1nsy h ARG 137 Ca 0.11 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 60.05 1nsy h ARG 137 Cb 0.45 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1nsy h ARG 137 CO 0.02 0.67 -0.30 1.15 -1.07 0.00 0.00 179.97 180.45 1nsy h THR 138 N 0.02 1.27 -0.02 2.04 2.02 -0.84 -1.12 112.91 116.28 1nsy h THR 138 Ca -0.01 -1.27 -0.12 0.00 0.77 0.00 0.00 66.41 65.78 1nsy h THR 138 Cb 1.15 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 69.02 1nsy h THR 138 CO 0.09 0.39 -0.53 0.03 0.37 0.00 0.00 175.52 175.86 1nsy h ARG 139 N 0.27 0.06 -0.04 6.66 3.08 -1.36 -0.73 114.38 122.33 1nsy h ARG 139 Ca 0.04 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1nsy h ARG 139 Cb 0.67 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.72 1nsy h ARG 139 CO 0.05 0.58 0.00 1.98 -1.07 0.00 0.00 179.97 181.51 1nsy h MET 140 N 0.05 0.06 -0.58 0.04 4.05 -1.06 -1.69 114.93 115.80 1nsy h MET 140 Ca -0.00 -0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.43 1nsy h MET 140 Cb 0.96 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.71 1nsy h MET 140 CO 0.07 0.31 0.35 0.82 0.23 0.00 0.00 176.91 178.70 1nsy h ILE 141 N -0.20 1.07 -0.70 1.77 2.04 -1.08 0.36 117.51 120.77 1nsy h ILE 141 Ca 0.01 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1nsy h ILE 141 Cb 0.28 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 1nsy h ILE 141 CO 0.00 0.13 0.44 0.00 0.00 0.00 0.00 178.15 178.72 1nsy h ALA 142 N 1.26 0.89 -0.47 1.87 0.00 -1.01 0.13 119.26 121.91 1nsy h ALA 142 Ca 0.23 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 1nsy h ALA 142 Cb 0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1nsy h ALA 142 CO -0.10 0.34 -0.16 1.96 0.00 0.00 0.00 179.25 181.29 1nsy h GLN 143 N 0.95 0.95 0.00 0.00 4.20 -0.81 -2.44 115.11 117.96 1nsy h GLN 143 Ca 0.25 -0.39 -0.06 0.00 0.06 0.00 0.00 58.65 58.52 1nsy h GLN 143 Cb -0.06 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1nsy h GLN 143 CO -0.05 1.05 -0.27 1.88 -0.67 0.00 0.00 178.83 180.77 1nsy h TYR 144 N 0.80 0.00 -0.26 2.96 0.05 -0.48 -0.32 116.97 119.72 1nsy h TYR 144 Ca 0.11 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.78 1nsy h TYR 144 Cb 0.73 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.46 1nsy h TYR 144 CO 0.05 0.27 -0.27 0.00 -1.05 0.00 0.00 178.16 177.17 1nsy h ALA 145 N 1.73 0.39 -0.29 3.88 0.00 -0.48 0.34 119.26 124.83 1nsy h ALA 145 Ca -0.00 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 1nsy h ALA 145 Cb 0.50 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1nsy h ALA 145 CO 0.04 0.38 -0.01 0.82 0.00 0.00 0.00 179.25 180.47 1nsy h ILE 146 N 0.37 1.26 -1.00 0.00 2.04 -1.27 -1.09 117.51 117.82 1nsy h ILE 146 Ca 0.04 -0.97 0.03 0.00 1.00 0.00 0.00 64.86 64.97 1nsy h ILE 146 Cb 0.83 1.32 -0.06 0.00 -0.74 0.00 0.00 36.82 38.18 1nsy h ILE 146 CO 0.07 0.31 0.66 1.23 0.00 0.00 0.00 178.15 180.41 1nsy h GLY 147 N 0.30 1.46 1.19 5.37 0.00 -0.98 0.16 103.07 110.58 1nsy h GLY 147 Ca 0.08 -0.50 -0.14 0.00 0.00 0.00 0.00 47.33 46.77 1nsy h GLY 147 CO 0.02 0.44 -0.30 -1.33 0.00 0.00 0.00 176.54 175.37 1nsy h GLY 148 N 1.28 0.98 1.90 4.60 0.00 -0.08 -0.89 103.07 110.86 1nsy h GLY 148 Ca 0.40 -0.92 -0.18 0.00 0.00 0.00 0.00 47.33 46.63 1nsy h GLY 148 CO -0.12 0.84 -0.82 1.46 0.00 0.00 0.00 176.54 177.90 1nsy h GLN 149 N 0.76 0.09 -0.02 4.80 1.08 -0.77 -3.34 115.11 117.71 1nsy h GLN 149 Ca 0.08 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1nsy h GLN 149 Cb 0.86 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.32 1nsy h GLN 149 CO 0.08 0.85 -0.27 0.39 -0.95 0.00 0.00 178.83 178.93 1nsy n GLU 150 N -3.64 1.61 -2.27 1.46 -0.58 0.01 -5.00 120.64 112.23 1nsy n GLU 150 Ca -0.02 -1.25 -0.04 0.00 -0.42 0.00 0.00 57.16 55.43 1nsy n GLU 150 Cb 0.77 -1.41 0.00 0.00 -0.57 0.00 0.00 31.44 30.24 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 1.28 0.37 3.66 0.62 0.00 -0.47 -4.84 105.19 105.81 1nsy n GLY 151 Ca 0.10 -0.66 -0.25 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.42 3.28 0.03 0.99 1.43 -0.47 -1.05 118.68 121.48 1nsy s LEU 152 Ca 0.03 -0.50 -0.17 0.00 -1.03 0.00 0.00 54.13 52.47 1nsy s LEU 152 Cb -0.01 -1.87 -0.06 0.00 0.03 0.00 0.00 46.19 44.28 1nsy s LEU 152 CO 0.04 0.04 0.48 -0.76 0.23 0.00 0.00 176.35 176.38 1nsy s LEU 153 N -3.31 4.49 -0.31 1.79 1.43 -0.60 -4.61 118.68 117.57 1nsy s LEU 153 Ca 0.29 1.09 -0.23 0.00 -1.03 0.00 0.00 54.13 54.25 1nsy s LEU 153 Cb -0.08 -2.73 0.00 0.00 0.03 0.00 0.00 46.19 43.41 1nsy s LEU 153 CO 0.19 0.30 0.78 -0.69 0.23 0.00 0.00 176.35 177.17 1nsy s VAL 154 N -1.10 4.79 0.45 -1.59 1.01 -1.26 -1.46 120.40 121.23 1nsy s VAL 154 Ca 0.26 1.17 -0.19 0.00 0.00 0.00 0.00 61.98 63.22 1nsy s VAL 154 Cb -0.18 -4.15 -0.10 0.00 0.00 0.00 0.00 36.38 31.96 1nsy s VAL 154 CO 0.16 -0.25 0.94 -0.76 0.00 0.00 0.00 175.10 175.18 1nsy s LEU 155 N 2.96 3.84 0.13 3.92 1.43 -0.93 -0.94 118.68 129.09 1nsy s LEU 155 Ca 0.32 1.60 0.10 0.00 -1.03 0.00 0.00 54.13 55.12 1nsy s LEU 155 Cb -0.14 -4.48 -0.04 0.00 0.03 0.00 0.00 46.19 41.56 1nsy s LEU 155 CO 0.13 -0.43 -0.24 -0.83 0.23 0.00 0.00 176.35 175.21 1nsy s GLY 156 N -2.53 1.47 -0.10 -3.19 0.00 0.21 -4.80 107.32 98.37 1nsy s GLY 156 Ca 0.60 -1.42 0.17 0.00 0.00 0.00 0.00 44.72 44.07 1nsy s GLY 156 CO 0.20 -1.42 1.56 -1.30 0.00 0.00 0.00 173.10 172.14 1nsy n THR 157 N 0.84 1.77 -1.88 0.90 -2.24 -1.26 -4.18 114.28 108.22 1nsy n THR 157 Ca -0.17 -1.25 -0.40 0.00 -2.27 0.00 0.00 64.05 59.95 1nsy n THR 157 Cb 0.54 0.14 0.01 0.00 -2.10 0.00 0.00 70.33 68.91 1nsy n THR 157 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1nsy s ASP 158 N -1.05 6.11 0.25 3.42 2.15 -1.26 -4.89 116.67 121.40 1nsy s ASP 158 Ca 0.47 2.86 -0.06 0.00 0.43 0.00 0.00 52.55 56.25 1nsy s ASP 158 Cb 0.30 -2.65 -0.02 0.00 -0.30 0.00 0.00 42.92 40.25 1nsy s ASP 158 CO 0.22 -1.01 0.33 -1.38 -0.17 0.00 0.00 175.17 173.16 1nsy s HIS 159 N -1.20 0.83 0.39 -5.34 -3.43 -1.26 -3.49 115.29 101.79 1nsy s HIS 159 Ca 0.58 -1.10 0.08 0.00 -0.80 0.00 0.00 55.06 53.82 1nsy s HIS 159 Cb -0.42 -0.18 0.83 0.00 -1.43 0.00 0.00 32.58 31.38 1nsy s HIS 159 CO 0.55 -0.87 1.98 0.00 -2.00 0.00 0.00 174.74 174.40 1nsy h ALA 160 N 2.37 1.79 0.00 -1.38 0.00 -1.53 0.71 119.26 121.22 1nsy h ALA 160 Ca -0.30 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1nsy h ALA 160 Cb 1.25 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1nsy h ALA 160 CO 0.43 0.10 -0.16 0.00 0.00 0.00 0.00 179.25 179.62 1nsy h ALA 161 N 1.65 0.98 0.02 0.00 0.00 -1.90 -1.98 119.26 118.03 1nsy h ALA 161 Ca 0.29 -0.14 -0.31 0.00 0.00 0.00 0.00 54.91 54.74 1nsy h ALA 161 Cb 0.30 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1nsy h ALA 161 CO -0.09 0.20 -1.78 0.39 0.00 0.00 0.00 179.25 177.97 1nsy n GLU 162 N -3.25 0.65 -0.11 0.00 1.02 -0.63 -4.29 120.64 114.03 1nsy n GLU 162 Ca 0.01 0.29 -0.10 0.00 -0.02 0.00 0.00 57.16 57.34 1nsy n GLU 162 Cb 0.44 -1.77 -0.02 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 0.84 0.42 -0.06 0.62 0.00 -0.73 -1.34 119.26 119.00 1nsy h ALA 163 Ca -0.32 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1nsy h ALA 163 Cb 2.02 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.68 1nsy h ALA 163 CO 0.08 0.04 -0.01 -0.24 0.00 0.00 0.00 179.25 179.12 1nsy h VAL 164 N 0.36 1.05 -0.02 0.00 3.04 -1.55 -2.22 116.25 116.91 1nsy h VAL 164 Ca 0.10 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 1nsy h VAL 164 Cb 0.23 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.52 1nsy h VAL 164 CO -0.01 0.06 -0.28 0.35 -1.01 0.00 0.00 177.57 176.69 1nsy n THR 165 N -4.47 0.00 -2.52 3.17 -2.24 -1.17 -3.79 114.28 103.27 1nsy n THR 165 Ca -0.02 -0.33 -0.18 0.00 -2.27 0.00 0.00 64.05 61.24 1nsy n THR 165 Cb 0.13 1.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 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 1.38 -0.37 2.69 3.38 0.00 -0.84 -4.87 105.19 106.57 1nsy n GLY 166 Ca 0.11 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1nsy n GLY 166 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1nsy n PHE 167 N -4.12 3.10 -3.47 1.61 -0.00 -0.57 -4.82 117.46 109.19 1nsy n PHE 167 Ca -0.18 -2.92 -0.10 0.00 -0.00 0.00 0.00 57.45 54.25 1nsy n PHE 167 Cb 0.64 -2.30 -0.02 0.00 -0.00 0.00 0.00 39.48 37.80 1nsy n PHE 167 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.76 176.17 1nsy s PHE 168 N 1.82 -0.43 -0.07 -5.13 -0.12 -1.26 -4.93 117.98 107.86 1nsy s PHE 168 Ca 0.49 0.28 -0.23 0.00 -0.05 0.00 0.00 56.93 57.42 1nsy s PHE 168 Cb 0.14 0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 43.03 1nsy s PHE 168 CO -0.06 -0.67 0.66 0.99 -0.05 0.00 0.00 175.22 176.10 1nsy s THR 169 N -3.33 5.05 -0.04 -4.49 2.01 -1.26 -4.91 115.64 108.67 1nsy s THR 169 Ca 0.03 1.37 -0.30 0.00 0.31 0.00 0.00 61.69 63.10 1nsy s THR 169 Cb -0.01 -4.00 -0.07 0.00 0.01 0.00 0.00 72.50 68.42 1nsy s THR 169 CO -0.10 0.27 1.93 -0.75 -0.69 0.00 0.00 174.62 175.29 1nsy s LYS 170 N 0.70 3.96 -0.90 4.92 2.20 -1.26 -1.55 119.74 127.80 1nsy s LYS 170 Ca 0.36 2.38 0.00 0.00 -0.36 0.00 0.00 55.97 58.35 1nsy s LYS 170 Cb -0.17 -4.16 0.00 0.00 -1.51 0.00 0.00 37.83 31.98 1nsy s LYS 170 CO 0.17 -1.15 0.00 0.66 -0.36 0.00 0.00 175.35 174.67 1nsy n TYR 171 N 8.23 0.00 0.00 4.03 4.01 -1.26 -4.93 117.16 127.24 1nsy n TYR 171 Ca 0.21 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.95 1nsy n TYR 171 Cb 0.42 -2.10 0.00 0.00 -0.31 0.00 0.00 39.34 37.36 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 -0.76 0.61 0.24 2.72 0.00 -0.60 -4.49 105.19 102.92 1nsy n GLY 172 Ca -0.09 0.00 0.16 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 0.87 1.61 2.03 -1.71 -0.28 116.42 118.94 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 1.23 -1.03 0.00 0.00 179.24 179.44 1nsy h GLY 174 N 2.18 0.00 -7.14 7.15 0.00 -1.66 -3.42 103.07 100.17 1nsy h GLY 174 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 1nsy h GLY 174 CO 0.00 0.00 0.57 -0.32 0.00 0.00 0.00 176.54 176.79 1nsy s GLY 175 N -3.93 1.39 0.22 4.60 0.00 -0.12 -4.72 107.32 104.76 1nsy s GLY 175 Ca 0.02 -1.38 -0.16 0.00 0.00 0.00 0.00 44.72 43.20 1nsy s GLY 175 CO 0.48 2.06 0.53 0.00 0.00 0.00 0.00 173.10 176.17 1nsy s ALA 176 N 4.02 -0.75 -0.12 3.20 0.00 -1.26 -4.89 121.76 121.96 1nsy s ALA 176 Ca 0.29 -0.44 -0.09 0.00 0.00 0.00 0.00 51.96 51.71 1nsy s ALA 176 Cb -0.13 0.91 -0.26 0.00 0.00 0.00 0.00 23.12 23.64 1nsy s ALA 176 CO 0.17 -0.85 0.38 -0.44 0.00 0.00 0.00 175.76 175.03 1nsy h ASP 177 N 2.20 0.39 -5.02 0.00 3.32 -1.35 -3.48 116.42 112.47 1nsy h ASP 177 Ca -0.27 -0.91 -0.16 0.00 0.02 0.00 0.00 57.03 55.72 1nsy h ASP 177 Cb 1.26 -0.13 -0.20 0.00 0.22 0.00 0.00 39.33 40.48 1nsy h ASP 177 CO 0.35 1.81 -0.67 -1.48 -1.72 0.00 0.00 179.24 177.53 1nsy s LEU 178 N -7.17 2.19 -0.48 1.55 2.34 -1.16 -5.03 118.68 110.92 1nsy s LEU 178 Ca -0.22 -0.55 0.03 0.00 0.06 0.00 0.00 54.13 53.45 1nsy s LEU 178 Cb 0.06 0.19 0.13 0.00 -0.56 0.00 0.00 46.19 46.02 1nsy s LEU 178 CO 0.76 -0.36 0.26 -0.76 -1.06 0.00 0.00 176.35 175.18 1nsy s LEU 179 N -1.70 3.47 0.44 1.48 1.43 -1.26 -0.62 118.68 121.91 1nsy s LEU 179 Ca -0.12 -2.84 0.30 0.00 -1.03 0.00 0.00 54.13 50.44 1nsy s LEU 179 Cb -0.07 -1.32 1.22 0.00 0.03 0.00 0.00 46.19 46.05 1nsy s LEU 179 CO -0.02 -0.24 1.88 1.55 0.23 0.00 0.00 176.35 179.74 1nsy h PRO 180 N 6.58 0.00 -0.73 1.29 0.13 -1.88 -3.20 132.00 134.18 1nsy h PRO 180 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1nsy h PRO 180 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1nsy h PRO 180 CO 0.58 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.63 1nsy n LEU 181 N -2.76 4.17 -4.73 1.56 4.77 -1.26 -4.92 117.00 113.84 1nsy n LEU 181 Ca 0.01 -2.09 -0.42 0.00 -0.03 0.00 0.00 56.01 53.47 1nsy n LEU 181 Cb 0.28 -0.52 -0.02 0.00 -2.33 0.00 0.00 43.42 40.83 1nsy n LEU 181 CO 0.24 0.96 1.16 0.41 -1.33 0.00 0.00 177.39 178.83 1nsy n THR 182 N 1.58 1.15 0.00 -5.08 -1.04 -1.21 -2.62 114.28 107.05 1nsy n THR 182 Ca 0.25 -0.29 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1nsy n THR 182 Cb 0.69 -1.82 0.00 0.00 -1.82 0.00 0.00 70.33 67.37 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 1.93 3.29 3.73 3.41 0.00 -1.22 -4.92 105.19 111.42 1nsy n GLY 183 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 4.52 0.76 0.99 1.43 -1.08 -4.02 118.68 121.28 1nsy s LEU 184 Ca 0.00 1.81 -0.10 0.00 -1.03 0.00 0.00 54.13 54.81 1nsy s LEU 184 Cb 0.00 -3.58 0.06 0.00 0.03 0.00 0.00 46.19 42.70 1nsy s LEU 184 CO 0.00 -0.03 1.11 0.42 0.23 0.00 0.00 176.35 178.09 1nsy s THR 185 N -0.20 2.38 0.13 5.49 -4.23 -1.26 -1.72 115.64 116.23 1nsy s THR 185 Ca 0.46 0.01 -0.19 0.00 -1.18 0.00 0.00 61.69 60.79 1nsy s THR 185 Cb -0.24 -3.10 -0.04 0.00 1.34 0.00 0.00 72.50 70.47 1nsy s THR 185 CO 0.30 -0.12 1.75 0.50 -0.54 0.00 0.00 174.62 176.51 1nsy h LYS 186 N -0.84 0.19 -0.39 3.99 1.63 -1.95 -1.66 116.57 117.53 1nsy h LYS 186 Ca -0.45 -0.01 -0.07 0.00 -0.85 0.00 0.00 60.65 59.27 1nsy h LYS 186 Cb 1.31 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.88 1nsy h LYS 186 CO 0.64 0.12 -0.05 0.07 -3.45 0.00 0.00 179.45 176.79 1nsy h ARG 187 N 0.19 0.65 -0.06 1.90 0.11 -1.94 -2.23 114.38 113.01 1nsy h ARG 187 Ca 0.10 -0.17 -0.08 0.00 0.10 0.00 0.00 59.98 59.93 1nsy h ARG 187 Cb 0.06 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.06 1nsy h ARG 187 CO -0.10 0.70 -0.34 1.96 0.10 0.00 0.00 179.97 182.29 1nsy h GLN 188 N 0.61 0.11 -0.28 0.08 4.20 -1.84 -2.16 115.11 115.83 1nsy h GLN 188 Ca 0.12 -0.04 -0.13 0.00 0.06 0.00 0.00 58.65 58.66 1nsy h GLN 188 Cb 0.45 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 1nsy h GLN 188 CO 0.02 0.44 -0.35 0.78 -0.67 0.00 0.00 178.83 179.06 1nsy h GLY 189 N 1.09 0.66 1.52 3.46 0.00 -0.73 -2.41 103.07 106.66 1nsy h GLY 189 Ca 0.01 -0.62 -0.08 0.00 0.00 0.00 0.00 47.33 46.64 1nsy h GLY 189 CO 0.05 0.57 -0.12 -0.09 0.00 0.00 0.00 176.54 176.95 1nsy h ARG 190 N 0.51 0.58 -0.61 4.80 2.43 -1.00 -1.86 114.38 119.23 1nsy h ARG 190 Ca 0.05 -0.17 -0.08 0.00 -0.81 0.00 0.00 59.98 58.97 1nsy h ARG 190 Cb 0.84 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.31 1nsy h ARG 190 CO 0.07 0.69 0.08 1.15 -1.51 0.00 0.00 179.97 180.45 1nsy h THR 191 N 0.53 1.26 -0.52 0.20 2.02 -1.14 0.77 112.91 116.03 1nsy h THR 191 Ca 0.10 -1.04 -0.06 0.00 0.77 0.00 0.00 66.41 66.18 1nsy h THR 191 Cb 0.52 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 1nsy h THR 191 CO 0.03 0.38 0.10 -0.07 0.37 0.00 0.00 175.52 176.34 1nsy h LEU 192 N 0.94 0.81 -1.01 2.58 4.07 -1.17 -0.95 115.31 120.58 1nsy h LEU 192 Ca 0.18 -0.25 -0.06 0.00 0.08 0.00 0.00 57.88 57.84 1nsy h LEU 192 Cb 0.45 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.96 1nsy h LEU 192 CO 0.02 0.85 0.04 -0.07 -1.08 0.00 0.00 178.44 178.19 1nsy h LEU 193 N 0.74 0.71 -0.18 1.67 3.38 -0.78 -1.88 115.31 118.97 1nsy h LEU 193 Ca 0.16 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1nsy h LEU 193 Cb 0.37 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1nsy h LEU 193 CO 0.01 0.75 0.04 0.50 0.09 0.00 0.00 178.44 179.82 1nsy h LYS 194 N 0.71 0.29 0.00 1.13 3.64 -0.63 -1.89 116.57 119.81 1nsy h LYS 194 Ca 0.15 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1nsy h LYS 194 Cb 0.38 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1nsy h LYS 194 CO 0.01 0.44 -0.04 0.93 -2.27 0.00 0.00 179.45 178.53 1nsy h GLU 195 N 0.09 0.00 -0.00 1.90 4.39 -0.94 -2.07 114.58 117.95 1nsy h GLU 195 Ca 0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1nsy h GLU 195 Cb 0.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1nsy h GLU 195 CO 0.00 0.04 -0.20 1.28 -1.16 0.00 0.00 179.01 178.97 1nsy n LEU 196 N -3.75 0.30 0.00 1.33 4.77 -0.73 -4.93 117.00 113.99 1nsy n LEU 196 Ca -0.03 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1nsy n LEU 196 Cb 0.13 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1nsy n LEU 196 CO 0.28 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1nsy n GLY 197 N 1.44 0.83 3.78 -0.72 0.00 -0.78 -5.05 105.19 104.69 1nsy n GLY 197 Ca 0.08 -0.47 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.00 2.87 0.34 4.61 0.00 -0.74 -4.97 121.76 121.86 1nsy s ALA 198 Ca 0.00 0.81 -0.29 0.00 0.00 0.00 0.00 51.96 52.48 1nsy s ALA 198 Cb 0.00 -3.34 -0.12 0.00 0.00 0.00 0.00 23.12 19.66 1nsy s ALA 198 CO 0.00 -0.58 1.44 -2.30 0.00 0.00 0.00 175.76 174.32 1nsy n PRO 199 N -0.80 2.44 0.27 0.00 -0.02 -1.26 -4.80 135.00 130.83 1nsy n PRO 199 Ca 0.09 0.86 0.11 0.00 -2.02 0.00 0.00 63.50 62.54 1nsy n PRO 199 Cb 0.50 -2.54 0.75 0.00 -0.02 0.00 0.00 33.50 32.19 1nsy n PRO 199 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1nsy h GLU 200 N 3.29 0.00 0.00 -0.52 4.81 -1.99 -1.74 114.58 118.44 1nsy h GLU 200 Ca -0.48 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.71 1nsy h GLU 200 Cb 1.26 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 1nsy h GLU 200 CO 0.68 0.02 -0.21 -0.09 -0.73 0.00 0.00 179.01 178.68 1nsy h ARG 201 N 0.00 0.00 0.04 1.92 9.65 -1.97 -1.88 114.38 122.15 1nsy h ARG 201 Ca -0.00 0.00 -0.24 0.00 -1.10 0.00 0.00 59.98 58.64 1nsy h ARG 201 Cb 0.05 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.61 1nsy h ARG 201 CO 0.00 0.21 -1.18 -0.07 2.80 0.00 0.00 179.97 181.73 1nsy h LEU 202 N 0.00 0.15 -1.99 3.80 3.38 -1.67 -3.23 115.31 115.75 1nsy h LEU 202 Ca -0.00 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1nsy h LEU 202 Cb 0.42 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1nsy h LEU 202 CO 0.03 1.13 0.00 0.00 0.09 0.00 0.00 178.44 179.69 1nsy n TYR 203 N -3.38 0.07 -0.10 1.13 0.18 -1.08 -3.95 117.16 110.04 1nsy n TYR 203 Ca -0.05 -0.04 0.05 0.00 1.88 0.00 0.00 57.90 59.74 1nsy n TYR 203 Cb 0.98 -0.00 0.12 0.00 -0.38 0.00 0.00 39.34 40.07 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 1.37 2.71 -4.74 -3.48 4.77 -0.73 -4.97 117.00 111.93 1nsy n LEU 204 Ca 0.15 -1.90 -0.41 0.00 -0.03 0.00 0.00 56.01 53.82 1nsy n LEU 204 Cb 0.60 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.48 1nsy n LEU 204 CO 0.15 0.67 0.93 -0.75 -1.33 0.00 0.00 177.39 177.06 1nsy s LYS 205 N -0.98 4.44 0.05 3.23 2.20 -1.22 -4.99 119.74 122.47 1nsy s LYS 205 Ca 0.19 1.96 -0.31 0.00 -0.36 0.00 0.00 55.97 57.46 1nsy s LYS 205 Cb 0.10 -3.22 -0.07 0.00 -1.51 0.00 0.00 37.83 33.14 1nsy s LYS 205 CO 0.14 -0.17 1.40 -2.00 -0.36 0.00 0.00 175.35 174.36 1nsy s GLU 206 N -0.21 4.30 0.19 4.03 2.12 -1.26 -4.91 118.70 122.95 1nsy s GLU 206 Ca 0.54 2.02 -0.32 0.00 0.36 0.00 0.00 54.97 57.58 1nsy s GLU 206 Cb -0.34 -3.45 -0.11 0.00 0.26 0.00 0.00 34.13 30.49 1nsy s GLU 206 CO 0.38 -0.52 1.63 -2.14 -0.54 0.00 0.00 175.26 174.06 1nsy s PRO 207 N 1.89 4.18 -0.09 4.30 0.02 -1.26 -4.97 135.00 139.07 1nsy s PRO 207 Ca 0.64 2.46 -0.09 0.00 0.02 0.00 0.00 61.00 64.03 1nsy s PRO 207 Cb -0.34 -3.12 0.02 0.00 0.02 0.00 0.00 34.50 31.09 1nsy s PRO 207 CO 0.28 -0.66 0.26 -0.08 -0.33 0.00 0.00 177.00 176.47 1nsy s THR 208 N 1.10 0.01 -0.11 0.99 -1.32 -1.26 -1.56 115.64 113.49 1nsy s THR 208 Ca 0.72 -0.07 0.16 0.00 -1.21 0.00 0.00 61.69 61.28 1nsy s THR 208 Cb -0.46 -0.39 -0.11 0.00 -1.51 0.00 0.00 72.50 70.02 1nsy s THR 208 CO 0.32 -0.04 0.93 0.00 -2.21 0.00 0.00 174.62 173.62 1nsy h ALA 209 N 5.52 0.65 -6.65 11.08 0.00 -1.93 -3.49 119.26 124.44 1nsy h ALA 209 Ca -0.26 -0.84 -0.52 0.00 0.00 0.00 0.00 54.91 53.29 1nsy h ALA 209 Cb 1.19 0.22 0.02 0.00 0.00 0.00 0.00 17.79 19.22 1nsy h ALA 209 CO 0.35 0.94 -0.98 -3.47 0.00 0.00 0.00 179.25 176.10 1nsy n ASP 210 N -2.98 -4.71 -0.09 0.00 2.03 -1.26 -4.90 116.55 104.65 1nsy n ASP 210 Ca -0.08 -1.15 -0.09 0.00 0.52 0.00 0.00 54.79 54.00 1nsy n ASP 210 Cb 0.84 -2.31 -0.14 0.00 -0.72 0.00 0.00 41.12 38.79 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 -4.44 0.00 -4.80 -2.67 4.77 -1.26 -4.82 117.00 103.78 1nsy n LEU 211 Ca -0.12 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.50 1nsy n LEU 211 Cb 0.58 0.44 -0.06 0.00 -2.33 0.00 0.00 43.42 42.06 1nsy n LEU 211 CO 0.70 0.44 0.66 -0.76 -1.33 0.00 0.00 177.39 177.11 1nsy s LEU 212 N -5.33 4.14 -0.09 2.23 1.43 -1.26 -4.45 118.68 115.34 1nsy s LEU 212 Ca -0.09 1.81 -0.05 0.00 -1.03 0.00 0.00 54.13 54.77 1nsy s LEU 212 Cb 0.06 -4.27 -0.27 0.00 0.03 0.00 0.00 46.19 41.74 1nsy s LEU 212 CO 0.75 -0.27 0.48 0.44 0.23 0.00 0.00 176.35 177.98 1nsy h ASP 213 N 2.52 0.41 1.00 2.29 3.32 -1.95 -3.29 116.42 120.71 1nsy h ASP 213 Ca -0.48 -0.83 -0.05 0.00 0.02 0.00 0.00 57.03 55.69 1nsy h ASP 213 Cb 1.19 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 1nsy h ASP 213 CO 0.63 1.74 -0.23 -0.33 -1.72 0.00 0.00 179.24 179.33 1nsy h GLU 214 N 0.07 0.00 -1.98 3.56 5.08 -1.96 -3.36 114.58 116.00 1nsy h GLU 214 Ca -0.39 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.42 1nsy h GLU 214 Cb 2.04 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 30.91 1nsy h GLU 214 CO 0.11 0.23 -1.11 1.63 -1.00 0.00 0.00 179.01 178.87 1nsy n LYS 215 N -3.36 0.72 -1.43 2.33 5.02 -1.26 -5.14 118.16 115.05 1nsy n LYS 215 Ca 0.00 -3.21 -0.37 0.00 -2.02 0.00 0.00 58.31 52.71 1nsy n LYS 215 Cb 0.45 -1.24 0.06 0.00 -0.02 0.00 0.00 35.03 34.28 1nsy n LYS 215 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1nsy n PRO 216 N 1.35 0.54 -3.28 1.97 -0.02 -1.24 -3.11 135.00 131.20 1nsy n PRO 216 Ca 0.21 0.22 -0.18 0.00 -2.02 0.00 0.00 63.50 61.73 1nsy n PRO 216 Cb 0.54 -1.94 -0.02 0.00 -0.02 0.00 0.00 33.50 32.06 1nsy n PRO 216 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1nsy n GLN 217 N -0.79 -2.37 -1.82 -0.52 6.02 -1.26 -4.88 117.38 111.77 1nsy n GLN 217 Ca 0.12 0.18 -0.41 0.00 -0.01 0.00 0.00 57.00 56.88 1nsy n GLN 217 Cb 0.49 -4.76 -0.01 0.00 1.02 0.00 0.00 30.24 26.98 1nsy n GLN 217 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1nsy s GLN 218 N -5.88 4.14 0.24 -1.09 0.74 -1.18 -4.89 119.66 111.74 1nsy s GLN 218 Ca 0.33 2.54 -0.30 0.00 0.05 0.00 0.00 55.36 57.99 1nsy s GLN 218 Cb -0.19 -3.01 -0.09 0.00 1.10 0.00 0.00 33.01 30.81 1nsy s GLN 218 CO 0.41 -0.57 1.30 0.45 -0.55 0.00 0.00 175.29 176.34 1nsy s SER 219 N 0.24 6.87 0.14 6.67 0.15 -1.26 -4.06 113.70 122.45 1nsy s SER 219 Ca 0.59 2.49 -0.26 0.00 0.70 0.00 0.00 55.95 59.47 1nsy s SER 219 Cb -0.47 -2.62 -0.02 0.00 -1.71 0.00 0.00 66.02 61.20 1nsy s SER 219 CO 0.53 -0.51 1.61 0.44 1.20 0.00 0.00 173.24 176.50 1nsy h ASP 220 N 4.71 -0.99 -0.77 5.45 3.32 -1.66 -1.34 116.42 125.15 1nsy h ASP 220 Ca -0.46 0.14 0.22 0.00 0.02 0.00 0.00 57.03 56.96 1nsy h ASP 220 Cb 1.22 0.42 -0.03 0.00 0.22 0.00 0.00 39.33 41.16 1nsy h ASP 220 CO 0.73 -0.36 0.56 -0.33 -1.72 0.00 0.00 179.24 178.13 1nsy h GLU 221 N -0.40 0.00 0.24 3.56 5.08 -1.84 0.37 114.58 121.59 1nsy h GLU 221 Ca 0.09 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1nsy h GLU 221 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1nsy h GLU 221 CO -0.35 0.00 -0.11 1.15 -1.00 0.00 0.00 179.01 178.70 1nsy h THR 222 N 0.00 0.76 -0.92 1.13 2.02 -1.57 1.13 112.91 115.47 1nsy h THR 222 Ca 0.36 -0.85 0.07 0.00 0.77 0.00 0.00 66.41 66.76 1nsy h THR 222 Cb 1.49 1.19 -0.06 0.00 -1.74 0.00 0.00 68.15 69.03 1nsy h THR 222 CO -0.00 0.16 0.60 -0.33 0.37 0.00 0.00 175.52 176.32 1nsy h GLU 223 N -0.80 1.01 0.00 6.66 5.08 -0.69 -3.23 114.58 122.61 1nsy h GLU 223 Ca -0.03 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1nsy h GLU 223 Cb 0.51 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1nsy h GLU 223 CO 0.05 0.67 -0.00 -0.07 -1.00 0.00 0.00 179.01 178.66 1nsy h LEU 224 N 1.04 -0.00 -0.08 1.33 3.38 -0.22 -3.49 115.31 117.27 1nsy h LEU 224 Ca 0.40 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1nsy h LEU 224 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1nsy h LEU 224 CO -0.16 0.88 0.00 0.61 0.09 0.00 0.00 178.44 179.86 1nsy n GLY 225 N 1.31 0.93 3.46 0.83 0.00 0.39 -5.06 105.19 107.06 1nsy n GLY 225 Ca -0.10 -0.57 -0.16 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.08 0.01 0.29 -0.61 1.01 -1.24 -5.08 121.20 113.50 1nsy s ILE 226 Ca 0.00 -0.10 -0.13 0.00 0.00 0.00 0.00 60.65 60.42 1nsy s ILE 226 Cb 0.00 -0.90 -0.08 0.00 0.01 0.00 0.00 42.46 41.49 1nsy s ILE 226 CO 0.00 -0.05 0.67 -0.94 0.00 0.00 0.00 174.94 174.61 1nsy s SER 227 N -0.97 6.72 0.58 3.58 1.04 -1.26 -4.57 113.70 118.82 1nsy s SER 227 Ca -0.10 1.15 0.33 0.00 0.48 0.00 0.00 55.95 57.81 1nsy s SER 227 Cb -0.02 -2.32 1.77 0.00 0.10 0.00 0.00 66.02 65.56 1nsy s SER 227 CO 0.07 -0.15 2.18 1.88 0.98 0.00 0.00 173.24 178.20 1nsy h TYR 228 N 2.38 0.00 0.00 5.02 0.05 -1.99 -1.33 116.97 121.11 1nsy h TYR 228 Ca -0.47 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.15 1nsy h TYR 228 Cb 1.17 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.89 1nsy h TYR 228 CO 0.62 0.05 -0.76 0.22 -1.05 0.00 0.00 178.16 177.24 1nsy h ASP 229 N 0.00 0.00 -0.37 3.88 3.58 -1.99 -0.54 116.42 120.98 1nsy h ASP 229 Ca -0.00 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.30 1nsy h ASP 229 Cb 0.21 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 1nsy h ASP 229 CO 0.01 0.76 -0.36 -0.33 -2.88 0.00 0.00 179.24 176.44 1nsy h GLU 230 N 0.00 0.92 -0.14 0.28 5.08 -1.74 -1.35 114.58 117.63 1nsy h GLU 230 Ca -0.01 -0.47 -0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1nsy h GLU 230 Cb 1.35 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 1nsy h GLU 230 CO 0.10 1.12 0.08 0.82 -1.00 0.00 0.00 179.01 180.14 1nsy h ILE 231 N 0.76 1.07 -0.76 3.13 2.04 -1.04 -2.07 117.51 120.64 1nsy h ILE 231 Ca 0.07 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 1nsy h ILE 231 Cb 0.94 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.93 1nsy h ILE 231 CO 0.09 0.06 0.40 0.44 0.00 0.00 0.00 178.15 179.14 1nsy h ASP 232 N 0.15 0.96 -0.32 1.72 3.32 -0.96 -2.10 116.42 119.19 1nsy h ASP 232 Ca 0.05 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 1nsy h ASP 232 Cb 0.03 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 1nsy h ASP 232 CO -0.01 0.79 0.10 0.44 -1.72 0.00 0.00 179.24 178.84 1nsy h ASP 233 N 1.07 0.47 -0.21 6.45 3.32 -1.05 -0.01 116.42 126.45 1nsy h ASP 233 Ca 0.27 -0.20 0.03 0.00 0.02 0.00 0.00 57.03 57.14 1nsy h ASP 233 Cb 0.05 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 1nsy h ASP 233 CO -0.04 0.55 0.03 0.22 -1.72 0.00 0.00 179.24 178.28 1nsy h TYR 234 N 0.37 0.05 -0.18 4.55 5.03 -1.08 0.82 116.97 126.53 1nsy h TYR 234 Ca 0.10 0.01 -0.11 0.00 2.58 0.00 0.00 58.73 61.31 1nsy h TYR 234 Cb 0.25 0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.53 1nsy h TYR 234 CO 0.01 0.01 -0.38 -0.07 -1.32 0.00 0.00 178.16 176.40 1nsy h LEU 235 N 0.11 0.41 -0.37 2.82 3.38 -1.31 -1.94 115.31 118.40 1nsy h LEU 235 Ca 0.10 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1nsy h LEU 235 Cb 0.10 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1nsy h LEU 235 CO -0.14 0.76 0.00 -0.62 0.09 0.00 0.00 178.44 178.53 1nsy n GLU 236 N -4.04 1.25 -0.85 1.13 1.02 -0.03 -4.78 120.64 114.34 1nsy n GLU 236 Ca -0.01 -0.37 0.00 0.00 -0.02 0.00 0.00 57.16 56.75 1nsy n GLU 236 Cb 0.48 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.53 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 0.95 0.52 3.83 0.62 0.00 -0.73 -4.54 105.19 105.84 1nsy n GLY 237 Ca 0.17 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.91 3.92 0.26 1.61 1.02 0.28 -4.99 119.74 120.92 1nsy s LYS 238 Ca 0.00 1.05 -0.30 0.00 0.02 0.00 0.00 55.97 56.74 1nsy s LYS 238 Cb 0.00 -2.13 -0.09 0.00 -0.52 0.00 0.00 37.83 35.09 1nsy s LYS 238 CO 0.00 -0.30 1.09 -1.21 -0.92 0.00 0.00 175.35 174.01 1nsy s GLU 239 N -3.83 4.65 0.26 1.68 2.02 -1.26 -4.24 118.70 117.98 1nsy s GLU 239 Ca 0.61 1.76 0.02 0.00 0.02 0.00 0.00 54.97 57.38 1nsy s GLU 239 Cb -0.11 -3.21 -0.04 0.00 0.10 0.00 0.00 34.13 30.87 1nsy s GLU 239 CO 0.27 0.21 0.17 0.14 0.02 0.00 0.00 175.26 176.07 1nsy s VAL 240 N -0.98 0.13 0.36 2.63 -7.23 -1.26 -4.93 120.40 109.12 1nsy s VAL 240 Ca 0.45 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 58.35 1nsy s VAL 240 Cb -0.31 -2.51 -0.09 0.00 0.56 0.00 0.00 36.38 34.02 1nsy s VAL 240 CO 0.39 0.00 1.27 -0.94 -0.31 0.00 0.00 175.10 175.51 1nsy s SER 241 N -3.28 6.61 0.46 4.85 1.04 -1.26 -4.82 113.70 117.32 1nsy s SER 241 Ca 0.38 2.59 0.21 0.00 0.48 0.00 0.00 55.95 59.62 1nsy s SER 241 Cb 0.05 -2.64 1.20 0.00 0.10 0.00 0.00 66.02 64.74 1nsy s SER 241 CO 0.17 -0.63 1.91 0.00 0.98 0.00 0.00 173.24 175.67 1nsy h ALA 242 N 3.06 2.34 -0.02 5.32 0.00 -2.00 0.93 119.26 128.89 1nsy h ALA 242 Ca -0.49 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 1nsy h ALA 242 Cb 1.23 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1nsy h ALA 242 CO 0.64 -0.57 -0.30 1.57 0.00 0.00 0.00 179.25 180.59 1nsy h LYS 243 N 0.26 0.03 0.27 0.00 -0.00 -2.00 -2.00 116.57 113.13 1nsy h LYS 243 Ca 0.39 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.65 61.01 1nsy h LYS 243 Cb 1.12 -0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.35 1nsy h LYS 243 CO -0.09 0.33 -0.13 0.28 -0.00 0.00 0.00 179.45 179.84 1nsy h VAL 244 N 0.03 0.49 -0.95 0.07 2.07 0.49 -3.19 116.25 115.26 1nsy h VAL 244 Ca 0.00 -0.88 0.14 0.00 0.82 0.00 0.00 66.70 66.78 1nsy h VAL 244 Cb 0.55 0.81 -0.08 0.00 -1.52 0.00 0.00 31.29 31.06 1nsy h VAL 244 CO 0.04 0.12 0.60 0.77 0.02 0.00 0.00 177.57 179.12 1nsy h SER 245 N -0.97 0.78 0.22 0.57 4.64 -1.05 -1.50 113.55 116.25 1nsy h SER 245 Ca -0.04 0.05 -0.18 0.00 -0.47 0.00 0.00 61.79 61.15 1nsy h SER 245 Cb 0.48 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 1nsy h SER 245 CO 0.06 0.40 -0.68 -0.08 -0.87 0.00 0.00 176.83 175.65 1nsy h GLU 246 N 0.83 0.42 -0.08 4.77 4.57 -1.50 0.30 114.58 123.88 1nsy h GLU 246 Ca 0.48 -0.32 -0.21 0.00 -1.18 0.00 0.00 59.36 58.13 1nsy h GLU 246 Cb 0.63 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.28 1nsy h GLU 246 CO -0.24 0.95 -0.80 0.00 -1.18 0.00 0.00 179.01 177.74 1nsy h ALA 247 N 0.97 0.45 -0.26 2.92 0.00 -1.36 -1.94 119.26 120.04 1nsy h ALA 247 Ca -0.02 -0.63 -0.09 0.00 0.00 0.00 0.00 54.91 54.17 1nsy h ALA 247 Cb 1.25 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1nsy h ALA 247 CO 0.12 0.74 -0.20 -0.07 0.00 0.00 0.00 179.25 179.85 1nsy h LEU 248 N 0.35 0.62 -0.68 0.00 3.38 -1.13 -2.54 115.31 115.31 1nsy h LEU 248 Ca -0.05 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.45 1nsy h LEU 248 Cb 1.41 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 1nsy h LEU 248 CO 0.15 0.93 0.34 -0.33 0.09 0.00 0.00 178.44 179.62 1nsy h GLU 249 N 0.30 0.96 -0.56 1.13 5.08 -0.39 -2.18 114.58 118.91 1nsy h GLU 249 Ca 0.05 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1nsy h GLU 249 Cb 0.74 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1nsy h GLU 249 CO 0.05 0.75 0.27 -0.22 -1.00 0.00 0.00 179.01 178.86 1nsy h LYS 250 N 0.93 0.81 -0.45 2.33 3.64 -1.28 -2.67 116.57 119.88 1nsy h LYS 250 Ca 0.23 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 59.43 1nsy h LYS 250 Cb 0.09 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 1nsy h LYS 250 CO -0.03 0.67 0.03 -0.09 -2.27 0.00 0.00 179.45 177.75 1nsy h ARG 251 N 0.76 0.72 -0.10 1.90 2.43 -1.29 -2.10 114.38 116.71 1nsy h ARG 251 Ca 0.19 -0.17 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1nsy h ARG 251 Cb 0.12 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1nsy h ARG 251 CO -0.02 0.72 0.05 -0.92 -1.51 0.00 0.00 179.97 178.29 1nsy h TYR 252 N 0.69 0.13 -0.17 2.20 3.20 -1.13 -1.68 116.97 120.21 1nsy h TYR 252 Ca 0.14 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 1nsy h TYR 252 Cb 0.39 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 1nsy h TYR 252 CO 0.02 0.15 0.03 0.66 -1.64 0.00 0.00 178.16 177.38 1nsy h SER 253 N 0.07 0.27 -0.02 -2.11 4.64 -1.44 -2.28 113.55 112.68 1nsy h SER 253 Ca 0.03 -0.25 0.01 0.00 -0.47 0.00 0.00 61.79 61.11 1nsy h SER 253 Cb 0.06 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1nsy h SER 253 CO -0.01 0.45 0.12 0.24 -0.87 0.00 0.00 176.83 176.77 1nsy h MET 254 N 0.08 0.00 -0.39 4.77 2.86 -1.22 -1.02 114.93 120.01 1nsy h MET 254 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1nsy h MET 254 Cb 0.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1nsy h MET 254 CO 0.00 0.00 0.00 0.25 1.06 0.00 0.00 176.91 178.22 1nsy n THR 255 N -3.13 1.58 0.18 2.22 -2.24 -0.64 -4.63 114.28 107.61 1nsy n THR 255 Ca -0.02 -1.32 0.12 0.00 -2.27 0.00 0.00 64.05 60.55 1nsy n THR 255 Cb 0.19 0.18 0.66 0.00 -2.10 0.00 0.00 70.33 69.26 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 2.42 0.00 0.00 -0.78 4.57 -0.84 -0.75 114.58 119.20 1nsy h GLU 256 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1nsy h GLU 256 Cb 1.11 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.70 1nsy h GLU 256 CO 0.12 0.00 -0.03 1.12 -1.18 0.00 0.00 179.01 179.04 1nsy h HIS 257 N 0.00 0.00 0.00 0.92 2.07 -1.82 -0.58 115.15 115.74 1nsy h HIS 257 Ca 0.08 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.56 1nsy h HIS 257 Cb 0.31 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.29 1nsy h HIS 257 CO 0.00 0.03 -0.17 0.87 -3.07 0.00 0.00 177.93 175.58 1nsy h LYS 258 N 0.00 0.00 -0.28 5.12 1.57 -1.49 -3.24 116.57 118.24 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 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1nsy h LYS 258 CO 0.00 0.17 0.00 0.54 -0.57 0.00 0.00 179.45 179.60 1nsy n ARG 259 N -3.15 2.35 -4.43 3.15 1.74 -0.24 -4.96 116.66 111.12 1nsy n ARG 259 Ca 0.03 -2.03 -0.21 0.00 -0.77 0.00 0.00 57.85 54.87 1nsy n ARG 259 Cb 0.59 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 30.44 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 -1.64 1.55 0.69 5.56 -1.52 -1.11 -5.12 119.66 118.07 1nsy s GLN 260 Ca 0.36 -1.76 -0.12 0.00 -1.95 0.00 0.00 55.36 51.89 1nsy s GLN 260 Cb 0.22 -1.26 0.01 0.00 -0.22 0.00 0.00 33.01 31.75 1nsy s GLN 260 CO 0.31 0.10 1.06 0.14 -0.25 0.00 0.00 175.29 176.65 1nsy s VAL 261 N -2.92 3.89 0.30 1.09 -7.23 -1.26 -4.92 120.40 109.35 1nsy s VAL 261 Ca 0.29 0.67 -0.27 0.00 -1.81 0.00 0.00 61.98 60.85 1nsy s VAL 261 Cb 0.02 -3.33 -0.14 0.00 0.56 0.00 0.00 36.38 33.49 1nsy s VAL 261 CO 0.12 -0.75 0.92 -2.65 -0.31 0.00 0.00 175.10 172.43 1nsy n PRO 262 N -2.96 1.13 -2.11 4.82 -0.02 -1.26 -4.88 135.00 129.72 1nsy n PRO 262 Ca 0.08 0.40 -0.39 0.00 -2.02 0.00 0.00 63.50 61.57 1nsy n PRO 262 Cb 0.53 -1.73 -0.00 0.00 -0.02 0.00 0.00 33.50 32.28 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 -1.10 3.17 0.31 3.55 0.00 -1.26 -5.06 121.76 121.37 1nsy s ALA 263 Ca 0.60 1.15 0.03 0.00 0.00 0.00 0.00 51.96 53.73 1nsy s ALA 263 Cb -0.71 -3.46 -0.05 0.00 0.00 0.00 0.00 23.12 18.90 1nsy s ALA 263 CO 0.59 -0.78 0.11 -1.54 0.00 0.00 0.00 175.76 174.14 1nsy s SER 264 N -0.91 1.75 0.23 0.00 1.04 -1.26 -5.04 113.70 109.51 1nsy s SER 264 Ca 0.59 -1.48 0.23 0.00 0.48 0.00 0.00 55.95 55.77 1nsy s SER 264 Cb -0.36 0.23 0.94 0.00 0.10 0.00 0.00 66.02 66.94 1nsy s SER 264 CO 0.45 -0.78 1.69 1.15 0.98 0.00 0.00 173.24 176.73 1nsy n MET 265 N -0.61 0.18 0.00 4.02 0.00 -1.26 -2.32 117.12 117.13 1nsy n MET 265 Ca -0.01 0.39 0.14 0.00 0.00 0.00 0.00 57.70 58.22 1nsy n MET 265 Cb 0.66 -1.83 0.48 0.00 0.00 0.00 0.00 33.22 32.53 1nsy n MET 265 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 1nsy n PHE 266 N -2.16 0.00 -3.54 3.17 3.72 -1.26 -4.85 117.46 112.54 1nsy n PHE 266 Ca 0.02 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.05 1nsy n PHE 266 Cb 0.24 -0.09 -0.06 0.00 -0.94 0.00 0.00 39.48 38.63 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 -2.33 6.76 -0.02 4.37 1.01 -0.98 -5.01 116.67 120.47 1nsy s ASP 267 Ca 0.30 0.91 0.15 0.00 0.71 0.00 0.00 52.55 54.62 1nsy s ASP 267 Cb 0.20 -2.23 -0.22 0.00 1.01 0.00 0.00 42.92 41.68 1nsy s ASP 267 CO 0.45 0.31 0.38 0.47 0.21 0.00 0.00 175.17 176.99 1nsy n ASP 268 N 1.69 1.40 -0.13 0.27 8.00 -1.26 -4.66 116.55 121.86 1nsy n ASP 268 Ca -0.13 -0.16 0.20 0.00 0.71 0.00 0.00 54.79 55.41 1nsy n ASP 268 Cb 0.52 1.56 0.61 0.00 -0.02 0.00 0.00 41.12 43.79 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 0.25 0.00 1.24 5.08 -1.97 -1.37 115.95 119.17 1nsy h TRP 269 Ca 0.00 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.98 1nsy h TRP 269 Cb 0.62 -0.08 0.00 0.00 -3.00 0.00 0.00 29.16 26.71 1nsy h TRP 269 CO 0.00 0.08 -0.39 0.11 -1.28 0.00 0.00 178.44 176.96 1nsy h TRP 270 N 0.20 0.00 0.00 0.12 5.08 -1.98 -3.52 115.95 115.85 1nsy h TRP 270 Ca 0.37 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.34 1nsy h TRP 270 Cb 1.15 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.31 1nsy h TRP 270 CO -0.00 0.00 0.00 1.63 -1.28 0.00 0.00 178.44 178.79