#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3l1i s ALA 2 N 0.00 3.81 0.82 3.17 0.00 -1.26 -5.08 121.76 123.21 3l1i s ALA 2 Ca 0.00 -0.48 -0.14 0.00 0.00 0.00 0.00 51.96 51.34 3l1i s ALA 2 Cb 0.00 -2.14 0.03 0.00 0.00 0.00 0.00 23.12 21.01 3l1i s ALA 2 CO 0.00 0.57 0.76 0.41 0.00 0.00 0.00 175.76 177.50 3l1i n GLY 3 N 1.79 -1.08 0.16 0.00 0.00 -1.26 -4.88 105.19 99.92 3l1i n GLY 3 Ca -0.16 -0.52 -0.02 0.00 0.00 0.00 0.00 46.02 45.31 3l1i n GLY 3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3l1i h PRO 4 N -0.91 0.09 -0.28 1.61 0.13 -2.00 -3.05 132.00 127.58 3l1i h PRO 4 Ca -0.45 -0.05 -0.06 0.00 -0.87 0.00 0.00 66.00 64.56 3l1i h PRO 4 Cb 1.31 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 3l1i h PRO 4 CO 0.42 0.62 -0.08 0.93 -0.23 0.00 0.00 178.00 179.66 3l1i h GLU 5 N 0.07 0.54 -0.23 0.86 3.07 -1.91 -1.47 114.58 115.52 3l1i h GLU 5 Ca -0.00 -0.21 -0.00 0.00 -0.50 0.00 0.00 59.36 58.64 3l1i h GLU 5 Cb 1.01 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.88 3l1i h GLU 5 CO 0.08 0.76 0.13 0.97 -1.40 0.00 0.00 179.01 179.55 3l1i h ILE 6 N 0.30 1.10 -0.46 3.13 6.09 -1.89 0.35 117.51 126.13 3l1i h ILE 6 Ca 0.07 -0.24 0.09 0.00 -1.37 0.00 0.00 64.86 63.41 3l1i h ILE 6 Cb 0.56 0.85 -0.09 0.00 0.47 0.00 0.00 36.82 38.61 3l1i h ILE 6 CO 0.03 0.09 -0.14 0.58 -3.07 0.00 0.00 178.15 175.65 3l1i h VAL 7 N 0.27 0.50 0.52 2.19 2.07 -1.47 1.04 116.25 121.36 3l1i h VAL 7 Ca 0.08 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 3l1i h VAL 7 Cb 0.04 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 3l1i h VAL 7 CO -0.01 0.00 -0.43 0.50 0.02 0.00 0.00 177.57 177.65 3l1i h LYS 8 N -0.03 -0.90 -0.85 1.57 3.64 -1.01 -2.15 116.57 116.85 3l1i h LYS 8 Ca 0.22 0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.72 3l1i h LYS 8 Cb 0.37 0.20 -0.06 0.00 -0.41 0.00 0.00 32.23 32.33 3l1i h LYS 8 CO -0.49 -0.60 0.53 1.25 -2.27 0.00 0.00 179.45 177.87 3l1i h LEU 9 N -0.93 0.83 -0.89 5.20 5.85 0.08 -1.17 115.31 124.28 3l1i h LEU 9 Ca -0.06 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.77 3l1i h LEU 9 Cb 0.79 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.59 3l1i h LEU 9 CO -0.01 0.53 0.53 0.11 -0.34 0.00 0.00 178.44 179.26 3l1i h LYS 10 N 0.96 0.86 0.14 1.25 1.57 0.12 -1.48 116.57 120.01 3l1i h LYS 10 Ca 0.37 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.09 3l1i h LYS 10 Cb 0.16 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.28 3l1i h LYS 10 CO -0.17 0.57 -0.07 -0.22 -0.57 0.00 0.00 179.45 178.99 3l1i h LYS 11 N 0.89 -0.18 -0.70 3.15 3.64 -0.58 -1.52 116.57 121.27 3l1i h LYS 11 Ca 0.42 0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.96 3l1i h LYS 11 Cb 0.36 0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 32.11 3l1i h LYS 11 CO -0.24 0.18 0.12 0.82 -2.27 0.00 0.00 179.45 178.06 3l1i h ILE 12 N -0.58 0.51 -0.53 2.00 2.04 -1.17 0.47 117.51 120.24 3l1i h ILE 12 Ca -0.02 -0.08 -0.06 0.00 1.00 0.00 0.00 64.86 65.70 3l1i h ILE 12 Cb 0.45 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 3l1i h ILE 12 CO 0.03 0.04 0.09 -0.07 0.00 0.00 0.00 178.15 178.24 3l1i h LEU 13 N 0.22 0.78 -0.26 1.44 3.38 -1.21 -0.36 115.31 119.30 3l1i h LEU 13 Ca 0.39 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 3l1i h LEU 13 Cb 0.65 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3l1i h LEU 13 CO -0.52 0.79 -0.00 0.03 0.09 0.00 0.00 178.44 178.84 3l1i h ARG 14 N 0.79 0.46 -0.21 1.13 3.08 -0.56 -2.52 114.38 116.55 3l1i h ARG 14 Ca 0.17 -0.15 0.03 0.00 0.07 0.00 0.00 59.98 60.10 3l1i h ARG 14 Cb 0.35 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 3l1i h ARG 14 CO 0.01 0.63 0.00 0.93 -1.07 0.00 0.00 179.97 180.47 3l1i h GLU 15 N 0.24 0.07 0.00 0.04 5.08 -0.71 -3.02 114.58 116.28 3l1i h GLU 15 Ca 0.07 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3l1i h GLU 15 Cb 0.42 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3l1i h GLU 15 CO 0.01 0.05 0.00 0.87 -1.00 0.00 0.00 179.01 178.94 3l1i h LYS 16 N 0.07 0.00 -6.99 2.33 1.79 -1.12 -3.47 116.57 109.19 3l1i h LYS 16 Ca 0.10 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 58.04 3l1i h LYS 16 Cb 0.12 0.00 0.10 0.00 -1.58 0.00 0.00 32.23 30.87 3l1i h LYS 16 CO -0.16 0.00 0.62 0.00 -1.08 0.00 0.00 179.45 178.82 3l1i s ALA 17 N -3.35 3.13 0.22 3.86 0.00 -0.95 -5.00 121.76 119.66 3l1i s ALA 17 Ca 0.05 1.27 -0.30 0.00 0.00 0.00 0.00 51.96 52.99 3l1i s ALA 17 Cb 0.08 -3.52 -0.09 0.00 0.00 0.00 0.00 23.12 19.60 3l1i s ALA 17 CO 0.57 -1.01 1.19 0.08 0.00 0.00 0.00 175.76 176.59 3l1i s VAL 18 N -1.29 3.47 0.37 0.00 1.01 -1.26 -5.01 120.40 117.68 3l1i s VAL 18 Ca 0.62 1.29 -0.28 0.00 0.00 0.00 0.00 61.98 63.61 3l1i s VAL 18 Cb -0.39 -3.82 -0.11 0.00 0.00 0.00 0.00 36.38 32.06 3l1i s VAL 18 CO 0.49 0.23 1.42 -2.65 0.00 0.00 0.00 175.10 174.59 3l1i n PRO 19 N 2.13 2.47 -1.54 2.72 -0.02 -1.26 -4.91 135.00 134.59 3l1i n PRO 19 Ca 0.03 0.87 -0.56 0.00 -2.02 0.00 0.00 63.50 61.81 3l1i n PRO 19 Cb 0.44 -2.55 -0.08 0.00 -0.02 0.00 0.00 33.50 31.29 3l1i n PRO 19 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3l1i n PRO 20 N 0.46 0.84 0.00 0.52 -0.02 -1.26 -2.71 135.00 132.84 3l1i n PRO 20 Ca 0.03 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 3l1i n PRO 20 Cb 0.38 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 3l1i n PRO 20 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3l1i n GLY 21 N 5.56 3.52 3.63 -1.23 0.00 -1.26 -5.08 105.19 110.34 3l1i n GLY 21 Ca 0.37 -0.94 -0.50 0.00 0.00 0.00 0.00 46.02 44.95 3l1i n GLY 21 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3l1i n THR 22 N 0.00 0.04 -3.14 2.61 -2.24 -1.10 -4.91 114.28 105.54 3l1i n THR 22 Ca 0.00 -0.01 -0.41 0.00 -2.27 0.00 0.00 64.05 61.36 3l1i n THR 22 Cb 0.00 -1.18 -0.07 0.00 -2.10 0.00 0.00 70.33 66.98 3l1i n THR 22 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3l1i s GLU 23 N 0.95 3.74 -0.23 -0.78 2.02 -1.26 -4.97 118.70 118.16 3l1i s GLU 23 Ca 0.83 0.09 -0.16 0.00 0.02 0.00 0.00 54.97 55.75 3l1i s GLU 23 Cb -0.83 -3.78 -0.04 0.00 0.10 0.00 0.00 34.13 29.58 3l1i s GLU 23 CO 0.44 -0.67 0.40 0.08 0.02 0.00 0.00 175.26 175.53 3l1i s VAL 24 N 2.62 5.18 0.76 2.63 1.01 -1.26 -5.06 120.40 126.28 3l1i s VAL 24 Ca 0.24 0.67 -0.15 0.00 0.00 0.00 0.00 61.98 62.74 3l1i s VAL 24 Cb -0.15 -3.72 0.06 0.00 0.00 0.00 0.00 36.38 32.56 3l1i s VAL 24 CO 0.14 0.20 1.23 -2.84 0.00 0.00 0.00 175.10 173.82 3l1i s PRO 25 N 1.70 1.90 0.02 2.72 0.02 -1.26 -4.77 135.00 135.33 3l1i s PRO 25 Ca 0.18 1.83 -0.25 0.00 0.02 0.00 0.00 61.00 62.78 3l1i s PRO 25 Cb -0.15 -1.80 -0.18 0.00 0.02 0.00 0.00 34.50 32.39 3l1i s PRO 25 CO 0.09 -2.03 1.40 1.25 -0.33 0.00 0.00 177.00 177.38 3l1i h LEU 26 N -0.49 -0.12 -2.46 -5.54 6.46 -2.00 -1.57 115.31 109.58 3l1i h LEU 26 Ca -0.47 -0.25 -0.00 0.00 -0.12 0.00 0.00 57.88 57.03 3l1i h LEU 26 Cb 1.31 0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 41.27 3l1i h LEU 26 CO 0.48 0.19 -0.02 -2.24 -0.62 0.00 0.00 178.44 176.23 3l1i h ASP 27 N -0.44 0.00 -0.09 1.25 2.03 -1.98 0.16 116.42 117.35 3l1i h ASP 27 Ca -0.01 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.10 3l1i h ASP 27 Cb 0.36 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.87 3l1i h ASP 27 CO 0.02 0.02 -0.66 0.58 -1.03 0.00 0.00 179.24 178.17 3l1i h VAL 28 N 0.00 1.34 -0.67 4.15 2.07 -1.80 -1.54 116.25 119.80 3l1i h VAL 28 Ca -0.00 -1.95 -0.03 0.00 0.82 0.00 0.00 66.70 65.54 3l1i h VAL 28 Cb 0.16 2.21 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 3l1i h VAL 28 CO 0.00 0.60 0.32 0.24 0.02 0.00 0.00 177.57 178.74 3l1i h MET 29 N 0.24 0.97 -0.25 1.57 2.86 0.06 -1.91 114.93 118.47 3l1i h MET 29 Ca -0.06 -0.15 0.03 0.00 -2.06 0.00 0.00 59.70 57.47 3l1i h MET 29 Cb 1.31 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.76 3l1i h MET 29 CO 0.13 0.78 0.05 0.00 1.06 0.00 0.00 176.91 178.93 3l1i h ARG 30 N 0.94 0.14 -0.30 1.72 3.08 -0.79 -2.12 114.38 117.04 3l1i h ARG 30 Ca 0.23 -0.01 -0.13 0.00 0.07 0.00 0.00 59.98 60.14 3l1i h ARG 30 Cb 0.13 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3l1i h ARG 30 CO -0.03 0.10 -0.36 0.87 -1.07 0.00 0.00 179.97 179.48 3l1i h LYS 31 N 0.15 0.69 -0.72 0.04 1.57 -1.16 -2.49 116.57 114.65 3l1i h LYS 31 Ca 0.11 -0.34 -0.06 0.00 -1.87 0.00 0.00 60.65 58.50 3l1i h LYS 31 Cb 0.11 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 3l1i h LYS 31 CO -0.15 0.94 0.22 0.78 -0.57 0.00 0.00 179.45 180.68 3l1i h GLY 32 N 0.97 1.20 1.03 3.86 0.00 -1.17 0.75 103.07 109.73 3l1i h GLY 32 Ca 0.06 -0.71 -0.05 0.00 0.00 0.00 0.00 47.33 46.62 3l1i h GLY 32 CO 0.08 0.67 0.24 1.98 0.00 0.00 0.00 176.54 179.51 3l1i h MET 33 N 1.06 1.08 0.75 4.80 -1.53 -1.23 -2.01 114.93 117.84 3l1i h MET 33 Ca 0.23 -0.22 -0.04 0.00 -3.44 0.00 0.00 59.70 56.23 3l1i h MET 33 Cb 0.31 -0.16 0.01 0.00 -0.55 0.00 0.00 31.60 31.21 3l1i h MET 33 CO -0.01 0.92 -0.36 0.93 0.14 0.00 0.00 176.91 178.53 3l1i h GLU 34 N 1.02 -0.96 -0.55 0.39 4.39 -0.96 -2.78 114.58 115.13 3l1i h GLU 34 Ca 0.23 0.07 0.07 0.00 0.34 0.00 0.00 59.36 60.07 3l1i h GLU 34 Cb 0.27 0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 3l1i h GLU 34 CO -0.01 -0.63 0.37 1.57 -1.16 0.00 0.00 179.01 179.15 3l1i h LYS 35 N -1.07 0.43 -0.04 2.33 5.09 -0.87 -2.29 116.57 120.16 3l1i h LYS 35 Ca -0.10 -0.03 0.00 0.00 0.09 0.00 0.00 60.65 60.61 3l1i h LYS 35 Cb 0.78 -0.10 0.00 0.00 0.10 0.00 0.00 32.23 33.01 3l1i h LYS 35 CO 0.17 0.28 0.00 1.33 -2.09 0.00 0.00 179.45 179.14 3l1i n VAL 36 N -4.47 0.02 -1.97 0.07 0.24 -0.76 -4.98 118.33 106.48 3l1i n VAL 36 Ca 0.08 -0.37 -0.40 0.00 -2.04 0.00 0.00 64.34 61.62 3l1i n VAL 36 Cb 0.29 0.90 0.00 0.00 -1.47 0.00 0.00 33.84 33.56 3l1i n VAL 36 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3l1i s ALA 37 N -1.98 3.27 0.23 2.33 0.00 -0.86 -4.97 121.76 119.78 3l1i s ALA 37 Ca 0.34 1.31 -0.30 0.00 0.00 0.00 0.00 51.96 53.31 3l1i s ALA 37 Cb 0.21 -3.52 -0.09 0.00 0.00 0.00 0.00 23.12 19.71 3l1i s ALA 37 CO 0.32 -0.94 1.29 -0.06 0.00 0.00 0.00 175.76 176.37 3l1i s PHE 38 N -1.24 3.26 0.24 0.00 0.08 -1.26 -5.01 117.98 114.05 3l1i s PHE 38 Ca 0.58 1.30 -0.30 0.00 0.12 0.00 0.00 56.93 58.63 3l1i s PHE 38 Cb -0.40 -3.58 -0.10 0.00 -0.57 0.00 0.00 43.02 38.37 3l1i s PHE 38 CO 0.51 -1.73 1.52 0.21 -0.10 0.00 0.00 175.22 175.64 3l1i s LYS 39 N -0.51 4.21 0.63 0.44 2.20 -1.26 -4.30 119.74 121.14 3l1i s LYS 39 Ca 0.54 2.40 -0.18 0.00 -0.36 0.00 0.00 55.97 58.37 3l1i s LYS 39 Cb -0.36 -3.10 -0.02 0.00 -1.51 0.00 0.00 37.83 32.84 3l1i s LYS 39 CO 0.41 -0.53 1.26 0.00 -0.36 0.00 0.00 175.35 176.13 3l1i s ALA 40 N 0.31 2.44 0.54 3.13 0.00 -1.26 -4.80 121.76 122.12 3l1i s ALA 40 Ca 0.64 1.15 -0.20 0.00 0.00 0.00 0.00 51.96 53.54 3l1i s ALA 40 Cb -0.44 -3.52 -0.07 0.00 0.00 0.00 0.00 23.12 19.09 3l1i s ALA 40 CO 0.41 -1.44 0.90 0.00 0.00 0.00 0.00 175.76 175.64 3l1i n ALA 41 N -1.78 -0.05 0.27 0.00 0.00 -1.26 -4.86 120.51 112.83 3l1i n ALA 41 Ca 0.15 0.07 0.15 0.00 0.00 0.00 0.00 53.44 53.82 3l1i n ALA 41 Cb 0.49 -2.05 0.88 0.00 0.00 0.00 0.00 19.45 18.76 3l1i n ALA 41 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3l1i h ASP 42 N 0.80 0.00 -0.43 0.00 3.58 -2.04 -1.73 116.42 116.60 3l1i h ASP 42 Ca -0.47 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.98 3l1i h ASP 42 Cb 1.36 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.41 3l1i h ASP 42 CO 0.52 0.00 0.00 -0.90 -2.88 0.00 0.00 179.24 175.98 3l1i n ASP 43 N -3.87 2.98 -4.68 2.28 3.85 -1.26 -4.87 116.55 110.98 3l1i n ASP 43 Ca -0.02 -1.94 -0.42 0.00 -0.71 0.00 0.00 54.79 51.70 3l1i n ASP 43 Cb 0.15 -0.28 -0.03 0.00 -1.35 0.00 0.00 41.12 39.61 3l1i n ASP 43 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 3l1i s ILE 44 N -1.43 4.82 -0.09 2.12 -1.09 -0.65 -4.05 121.20 120.82 3l1i s ILE 44 Ca 0.38 1.87 -0.07 0.00 -2.23 0.00 0.00 60.65 60.59 3l1i s ILE 44 Cb 0.21 -4.24 -0.04 0.00 -1.58 0.00 0.00 42.46 36.81 3l1i s ILE 44 CO 0.29 -0.00 0.18 -1.58 -1.23 0.00 0.00 174.94 172.60 3l1i s GLN 45 N 2.17 3.51 0.02 2.79 2.00 -0.33 -4.94 119.66 124.88 3l1i s GLN 45 Ca 0.44 -0.08 0.04 0.00 -2.00 0.00 0.00 55.36 53.76 3l1i s GLN 45 Cb -0.17 -3.18 -0.02 0.00 0.80 0.00 0.00 33.01 30.44 3l1i s GLN 45 CO 0.14 0.75 -0.13 0.08 -0.50 0.00 0.00 175.29 175.64 3l1i s VAL 46 N -1.08 0.99 -0.08 1.34 1.01 -1.26 -1.07 120.40 120.25 3l1i s VAL 46 Ca 0.18 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 3l1i s VAL 46 Cb -0.13 -0.89 0.04 0.00 0.00 0.00 0.00 36.38 35.40 3l1i s VAL 46 CO 0.07 0.06 0.06 -0.70 0.00 0.00 0.00 175.10 174.59 3l1i s GLU 47 N -0.88 0.04 0.10 2.72 2.12 -0.61 -4.98 118.70 117.22 3l1i s GLU 47 Ca 0.02 0.20 -0.31 0.00 0.36 0.00 0.00 54.97 55.24 3l1i s GLU 47 Cb -0.07 -0.97 -0.07 0.00 0.26 0.00 0.00 34.13 33.28 3l1i s GLU 47 CO 0.01 -0.43 1.31 -0.65 -0.54 0.00 0.00 175.26 174.95 3l1i s GLN 48 N 2.13 4.37 0.11 4.30 -0.21 -1.26 -1.16 119.66 127.95 3l1i s GLN 48 Ca 0.04 1.96 0.01 0.00 0.02 0.00 0.00 55.36 57.38 3l1i s GLN 48 Cb -0.13 -3.28 -0.04 0.00 1.00 0.00 0.00 33.01 30.56 3l1i s GLN 48 CO -0.05 -0.34 -0.02 0.14 -2.12 0.00 0.00 175.29 172.89 3l1i s VAL 49 N 0.96 0.50 -0.14 1.09 -7.23 -0.18 -4.96 120.40 110.44 3l1i s VAL 49 Ca 0.61 -1.91 -0.03 0.00 -1.81 0.00 0.00 61.98 58.84 3l1i s VAL 49 Cb -0.34 -1.80 -0.03 0.00 0.56 0.00 0.00 36.38 34.77 3l1i s VAL 49 CO 0.31 -0.75 -0.04 -0.89 -0.31 0.00 0.00 175.10 173.42 3l1i s THR 50 N -3.76 3.91 -0.07 5.32 2.01 -1.26 -0.85 115.64 120.94 3l1i s THR 50 Ca 0.15 -0.36 -0.02 0.00 0.31 0.00 0.00 61.69 61.78 3l1i s THR 50 Cb 0.06 -2.69 0.03 0.00 0.01 0.00 0.00 72.50 69.91 3l1i s THR 50 CO -0.03 0.52 0.02 -0.69 -0.69 0.00 0.00 174.62 173.75 3l1i s VAL 51 N 0.08 0.25 -1.44 3.82 1.01 0.31 -4.81 120.40 119.62 3l1i s VAL 51 Ca -0.00 0.18 -0.10 0.00 0.00 0.00 0.00 61.98 62.06 3l1i s VAL 51 Cb -0.13 -0.45 0.01 0.00 0.00 0.00 0.00 36.38 35.81 3l1i s VAL 51 CO 0.03 0.22 0.24 0.00 0.00 0.00 0.00 175.10 175.58 3l1i n ALA 52 N 5.19 -2.18 -1.17 5.51 0.00 -1.26 -0.58 120.51 126.01 3l1i n ALA 52 Ca -0.06 -0.45 -0.06 0.00 0.00 0.00 0.00 53.44 52.87 3l1i n ALA 52 Cb 0.50 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.52 3l1i n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3l1i n GLY 53 N -2.38 0.63 3.58 0.00 0.00 -1.26 -4.98 105.19 100.78 3l1i n GLY 53 Ca -0.27 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 3l1i n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3l1i s ALA 55 N -1.20 3.43 0.19 0.00 0.00 -1.26 -0.53 121.76 122.38 3l1i s ALA 55 Ca 0.21 1.33 -0.08 0.00 0.00 0.00 0.00 51.96 53.42 3l1i s ALA 55 Cb -0.11 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.48 3l1i s ALA 55 CO 0.13 -0.81 0.28 0.00 0.00 0.00 0.00 175.76 175.37 3l1i s ALA 56 N -1.17 0.23 -0.01 0.00 0.00 -0.03 -0.93 121.76 119.84 3l1i s ALA 56 Ca 0.53 -1.08 0.05 0.00 0.00 0.00 0.00 51.96 51.46 3l1i s ALA 56 Cb -0.41 1.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.71 3l1i s ALA 56 CO 0.54 -0.67 -0.16 -1.21 0.00 0.00 0.00 175.76 174.26 3l1i s GLU 57 N -4.02 1.31 -0.01 0.00 2.02 -0.93 -1.01 118.70 116.05 3l1i s GLU 57 Ca 0.23 -0.57 -0.30 0.00 0.02 0.00 0.00 54.97 54.35 3l1i s GLU 57 Cb 0.03 -1.26 -0.03 0.00 0.10 0.00 0.00 34.13 32.97 3l1i s GLU 57 CO 0.04 0.34 1.03 -1.58 0.02 0.00 0.00 175.26 175.12 3l1i s TRP 58 N -0.37 3.58 -0.25 1.61 0.23 -0.31 0.27 118.94 123.70 3l1i s TRP 58 Ca 0.06 1.60 0.02 0.00 -2.03 0.00 0.00 56.10 55.75 3l1i s TRP 58 Cb -0.06 -3.19 0.06 0.00 0.03 0.00 0.00 33.47 30.30 3l1i s TRP 58 CO -0.01 -0.31 -0.10 0.08 0.96 0.00 0.00 176.95 177.58 3l1i s VAL 59 N 1.24 1.98 -0.36 4.03 1.01 0.47 -1.57 120.40 127.20 3l1i s VAL 59 Ca 0.53 -1.50 0.03 0.00 0.00 0.00 0.00 61.98 61.04 3l1i s VAL 59 Cb -0.22 -2.13 0.11 0.00 0.00 0.00 0.00 36.38 34.14 3l1i s VAL 59 CO 0.26 -0.03 0.09 -0.13 0.00 0.00 0.00 175.10 175.29 3l1i s ARG 60 N 1.19 1.45 1.19 2.72 0.52 -0.23 -0.92 118.95 124.86 3l1i s ARG 60 Ca -0.08 -1.89 -0.16 0.00 -0.52 0.00 0.00 55.73 53.09 3l1i s ARG 60 Cb -0.19 -3.04 0.24 0.00 0.52 0.00 0.00 34.95 32.47 3l1i s ARG 60 CO -0.06 -0.98 0.62 0.00 0.02 0.00 0.00 175.30 174.91 3l1i n ALA 61 N 4.14 -3.57 -1.79 2.13 0.00 -1.26 -1.18 120.51 118.98 3l1i n ALA 61 Ca 0.04 -1.30 -0.41 0.00 0.00 0.00 0.00 53.44 51.77 3l1i n ALA 61 Cb 0.40 -1.78 -0.03 0.00 0.00 0.00 0.00 19.45 18.05 3l1i n ALA 61 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3l1i s PRO 62 N -4.05 4.41 0.00 0.00 0.04 -1.26 -4.09 135.00 130.06 3l1i s PRO 62 Ca 0.64 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.81 3l1i s PRO 62 Cb -0.20 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.24 3l1i s PRO 62 CO 0.65 -0.12 0.00 0.41 0.04 0.00 0.00 177.00 177.98 3l1i n GLY 63 N 1.03 1.54 3.73 0.56 0.00 -1.26 -4.80 105.19 105.99 3l1i n GLY 63 Ca 0.00 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3l1i n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3l1i s GLN 65 N -0.17 4.46 0.03 0.00 2.00 -0.38 -4.94 119.66 120.67 3l1i s GLN 65 Ca 0.49 1.30 -0.39 0.00 -2.00 0.00 0.00 55.36 54.76 3l1i s GLN 65 Cb -0.27 -3.51 -0.19 0.00 0.80 0.00 0.00 33.01 29.85 3l1i s GLN 65 CO 0.33 -0.18 1.18 0.00 -0.50 0.00 0.00 175.29 176.12 3l1i n ALA 66 N 4.50 -2.58 0.00 1.58 0.00 -1.26 -2.49 120.51 120.26 3l1i n ALA 66 Ca 0.06 0.57 0.00 0.00 0.00 0.00 0.00 53.44 54.07 3l1i n ALA 66 Cb 0.50 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 18.06 3l1i n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3l1i n GLY 67 N 1.91 2.73 3.89 0.00 0.00 -1.26 -5.04 105.19 107.43 3l1i n GLY 67 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 3l1i n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3l1i s LYS 68 N -0.56 3.67 -0.16 1.61 -0.14 -1.04 -4.63 119.74 118.50 3l1i s LYS 68 Ca 0.00 0.02 -0.28 0.00 -1.36 0.00 0.00 55.97 54.35 3l1i s LYS 68 Cb 0.00 -2.74 0.08 0.00 -1.68 0.00 0.00 37.83 33.49 3l1i s LYS 68 CO 0.00 0.36 0.76 0.00 -0.76 0.00 0.00 175.35 175.71 3l1i s ALA 69 N -1.81 -1.81 -0.17 5.17 0.00 -0.97 -4.19 121.76 117.99 3l1i s ALA 69 Ca 0.43 1.65 -0.01 0.00 0.00 0.00 0.00 51.96 54.03 3l1i s ALA 69 Cb -0.11 -0.62 -0.01 0.00 0.00 0.00 0.00 23.12 22.38 3l1i s ALA 69 CO 0.25 -0.34 -0.12 0.42 0.00 0.00 0.00 175.76 175.97 3l1i s ILE 70 N -0.50 2.98 -0.34 0.00 1.01 0.03 -2.47 121.20 121.91 3l1i s ILE 70 Ca -0.05 -0.66 -0.27 0.00 0.00 0.00 0.00 60.65 59.67 3l1i s ILE 70 Cb -0.02 -2.29 0.01 0.00 0.01 0.00 0.00 42.46 40.18 3l1i s ILE 70 CO 0.05 0.49 0.98 -0.22 0.00 0.00 0.00 174.94 176.24 3l1i s LEU 71 N 0.85 3.97 -0.21 2.97 2.96 -0.15 0.15 118.68 129.22 3l1i s LEU 71 Ca -0.03 0.78 -0.05 0.00 -0.22 0.00 0.00 54.13 54.60 3l1i s LEU 71 Cb -0.15 -3.36 -0.02 0.00 0.50 0.00 0.00 46.19 43.16 3l1i s LEU 71 CO 0.00 -0.85 -0.01 -0.47 -1.32 0.00 0.00 176.35 173.71 3l1i s TYR 72 N 3.52 3.02 -0.33 5.38 6.14 -0.13 -1.18 117.35 133.77 3l1i s TYR 72 Ca 0.41 -0.54 -0.06 0.00 0.64 0.00 0.00 57.07 57.51 3l1i s TYR 72 Cb -0.12 -2.09 0.04 0.00 0.42 0.00 0.00 41.96 40.21 3l1i s TYR 72 CO 0.17 -0.30 0.09 -0.51 0.64 0.00 0.00 175.55 175.64 3l1i s LEU 73 N 1.11 4.25 0.69 6.97 1.43 0.16 -3.03 118.68 130.25 3l1i s LEU 73 Ca 0.02 -1.13 -0.12 0.00 -1.03 0.00 0.00 54.13 51.87 3l1i s LEU 73 Cb -0.14 -1.85 0.01 0.00 0.03 0.00 0.00 46.19 44.23 3l1i s LEU 73 CO 0.01 -0.31 1.07 -1.38 0.23 0.00 0.00 176.35 175.97 3l1i s HIS 74 N 1.39 2.90 0.86 0.29 -3.43 -1.26 -2.91 115.29 113.14 3l1i s HIS 74 Ca -0.02 1.49 -0.12 0.00 -0.80 0.00 0.00 55.06 55.60 3l1i s HIS 74 Cb -0.19 -2.98 0.19 0.00 -1.43 0.00 0.00 32.58 28.17 3l1i s HIS 74 CO 0.02 -1.40 1.17 0.41 -2.00 0.00 0.00 174.74 172.95 3l1i n GLY 75 N -1.44 -1.08 0.00 -1.38 0.00 -1.09 -3.06 105.19 97.14 3l1i n GLY 75 Ca 0.08 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.34 3l1i n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3l1i n GLY 76 N -2.86 0.99 2.39 -0.02 0.00 -1.26 -4.23 105.19 100.20 3l1i n GLY 76 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 3l1i n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3l1i n GLY 77 N 0.00 1.21 3.31 -0.02 0.00 -1.26 0.07 105.19 108.50 3l1i n GLY 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3l1i n GLY 77 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3l1i n TYR 78 N -1.98 0.00 0.01 1.61 4.02 -1.26 -4.62 117.16 114.94 3l1i n TYR 78 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.76 3l1i n TYR 78 Cb 0.51 -0.93 -0.00 0.00 -0.02 0.00 0.00 39.34 38.90 3l1i n TYR 78 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 3l1i n VAL 79 N -2.11 0.00 -3.91 -0.72 0.24 -0.13 -1.12 118.33 110.58 3l1i n VAL 79 Ca 0.00 -0.14 -0.09 0.00 -2.04 0.00 0.00 64.34 62.07 3l1i n VAL 79 Cb 0.07 0.62 -0.02 0.00 -1.47 0.00 0.00 33.84 33.04 3l1i n VAL 79 CO 0.00 0.00 0.00 1.15 -2.14 0.00 0.00 176.83 175.84 3l1i n MET 80 N -1.38 0.40 0.00 7.34 0.00 0.11 -4.75 117.12 118.83 3l1i n MET 80 Ca -0.00 -1.73 0.00 0.00 0.00 0.00 0.00 57.70 55.97 3l1i n MET 80 Cb 0.01 1.62 0.00 0.00 0.00 0.00 0.00 33.22 34.85 3l1i n MET 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3l1i n GLY 81 N -0.35 1.33 3.76 3.17 0.00 -1.26 -4.05 105.19 107.79 3l1i n GLY 81 Ca 0.01 -1.84 -0.05 0.00 0.00 0.00 0.00 46.02 44.15 3l1i n GLY 81 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3l1i n SER 82 N -0.35 -1.86 -0.19 1.61 3.41 -1.26 -4.96 113.62 110.02 3l1i n SER 82 Ca 0.00 -2.08 -0.00 0.00 -0.26 0.00 0.00 58.87 56.53 3l1i n SER 82 Cb 0.00 3.05 0.09 0.00 -0.26 0.00 0.00 64.21 67.09 3l1i n SER 82 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3l1i h ILE 83 N 1.97 0.54 -0.14 -1.33 2.04 -1.89 -2.84 117.51 115.85 3l1i h ILE 83 Ca -0.29 -0.04 0.04 0.00 1.00 0.00 0.00 64.86 65.57 3l1i h ILE 83 Cb 1.19 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.63 3l1i h ILE 83 CO 0.38 0.02 -0.12 0.78 0.00 0.00 0.00 178.15 179.21 3l1i h ASN 84 N 0.12 -0.37 0.05 1.72 4.21 -1.99 -0.34 115.58 118.98 3l1i h ASN 84 Ca 0.30 0.08 -0.01 0.00 1.21 0.00 0.00 56.30 57.88 3l1i h ASN 84 Cb 0.47 0.19 -0.00 0.00 -1.12 0.00 0.00 38.32 37.85 3l1i h ASN 84 CO -0.48 -0.16 -0.03 0.71 -1.29 0.00 0.00 177.43 176.18 3l1i h THR 85 N -0.13 0.81 -0.01 2.81 1.35 -1.83 -3.20 112.91 112.71 3l1i h THR 85 Ca 0.09 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 3l1i h THR 85 Cb 0.27 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 3l1i h THR 85 CO -0.22 0.03 -0.03 1.41 -0.25 0.00 0.00 175.52 176.47 3l1i n HIS 86 N -4.19 0.00 -0.29 4.73 8.25 -1.11 -4.65 115.22 117.96 3l1i n HIS 86 Ca -0.03 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.49 3l1i n HIS 86 Cb 0.12 0.00 0.28 0.00 1.12 0.00 0.00 29.99 31.51 3l1i n HIS 86 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 3l1i h ARG 87 N 0.84 0.90 0.77 -0.41 2.43 -1.05 -1.55 114.38 116.32 3l1i h ARG 87 Ca 0.00 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.08 3l1i h ARG 87 Cb 0.19 -0.20 0.01 0.00 -0.42 0.00 0.00 29.97 29.55 3l1i h ARG 87 CO 0.00 0.60 -0.37 1.03 -1.51 0.00 0.00 179.97 179.72 3l1i h SER 88 N 0.93 -0.88 -0.98 -3.80 0.87 -1.81 -0.79 113.55 107.09 3l1i h SER 88 Ca 0.40 0.02 0.06 0.00 -1.23 0.00 0.00 61.79 61.04 3l1i h SER 88 Cb 0.32 0.23 -0.06 0.00 -0.44 0.00 0.00 62.40 62.45 3l1i h SER 88 CO -0.16 -0.53 0.63 -0.03 -0.53 0.00 0.00 176.83 176.21 3l1i h MET 89 N -1.23 1.12 0.00 2.24 1.85 -1.85 -2.40 114.93 114.65 3l1i h MET 89 Ca -0.11 -0.07 -0.11 0.00 -0.61 0.00 0.00 59.70 58.81 3l1i h MET 89 Cb 0.81 -0.25 -0.02 0.00 0.43 0.00 0.00 31.60 32.57 3l1i h MET 89 CO 0.17 0.74 -0.51 0.28 -0.40 0.00 0.00 176.91 177.20 3l1i h VAL 90 N 1.16 1.19 -0.52 -5.77 2.07 -1.23 -1.91 116.25 111.24 3l1i h VAL 90 Ca 0.42 -1.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.08 3l1i h VAL 90 Cb 0.14 2.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 3l1i h VAL 90 CO -0.17 0.50 0.30 1.23 0.02 0.00 0.00 177.57 179.46 3l1i h GLY 91 N 1.97 0.75 1.37 2.17 0.00 -0.65 -1.37 103.07 107.31 3l1i h GLY 91 Ca -0.01 -0.32 -0.11 0.00 0.00 0.00 0.00 47.33 46.90 3l1i h GLY 91 CO 0.07 0.31 -0.20 0.83 0.00 0.00 0.00 176.54 177.54 3l1i h GLU 92 N 0.69 0.73 -0.51 4.80 4.39 -1.13 -0.63 114.58 122.93 3l1i h GLU 92 Ca 0.18 -0.28 -0.10 0.00 0.34 0.00 0.00 59.36 59.51 3l1i h GLU 92 Cb 0.00 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 3l1i h GLU 92 CO -0.03 0.88 -0.08 0.82 -1.16 0.00 0.00 179.01 179.43 3l1i h ILE 93 N 0.64 1.26 -0.69 3.13 2.04 -1.15 -1.18 117.51 121.55 3l1i h ILE 93 Ca 0.09 -1.19 -0.04 0.00 1.00 0.00 0.00 64.86 64.72 3l1i h ILE 93 Cb 0.69 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 3l1i h ILE 93 CO 0.05 0.42 0.26 -1.28 0.00 0.00 0.00 178.15 177.60 3l1i h SER 94 N 0.83 0.95 0.03 1.72 0.87 -0.90 -0.26 113.55 116.80 3l1i h SER 94 Ca 0.14 -0.15 0.02 0.00 -1.23 0.00 0.00 61.79 60.57 3l1i h SER 94 Cb 0.60 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 3l1i h SER 94 CO 0.04 0.86 -0.12 -0.09 -0.53 0.00 0.00 176.83 176.99 3l1i h ARG 95 N 1.01 -0.22 -0.04 2.24 2.43 -0.63 -1.01 114.38 118.16 3l1i h ARG 95 Ca 0.23 0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.29 3l1i h ARG 95 Cb 0.22 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 3l1i h ARG 95 CO -0.02 -0.15 -0.55 0.00 -1.51 0.00 0.00 179.97 177.75 3l1i h ALA 96 N 0.70 1.02 -0.02 2.80 0.00 -1.02 -3.08 119.26 119.65 3l1i h ALA 96 Ca 0.03 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3l1i h ALA 96 Cb 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3l1i h ALA 96 CO -0.10 0.69 -0.17 -1.13 0.00 0.00 0.00 179.25 178.54 3l1i n SER 97 N -3.90 2.63 -4.15 0.00 3.41 -0.13 -4.11 113.62 107.38 3l1i n SER 97 Ca -0.02 -1.82 -0.29 0.00 -0.26 0.00 0.00 58.87 56.49 3l1i n SER 97 Cb 0.56 0.17 -0.06 0.00 -0.26 0.00 0.00 64.21 64.63 3l1i n SER 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3l1i n GLN 98 N 0.84 -2.00 -3.83 4.33 6.02 -0.42 -4.74 117.38 117.57 3l1i n GLN 98 Ca 0.12 0.23 -0.12 0.00 -0.01 0.00 0.00 57.00 57.23 3l1i n GLN 98 Cb 0.55 -4.00 -0.11 0.00 1.02 0.00 0.00 30.24 27.69 3l1i n GLN 98 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3l1i s ALA 99 N -4.18 -0.40 0.36 -1.58 0.00 -1.00 -1.25 121.76 113.71 3l1i s ALA 99 Ca 0.01 0.24 -0.27 0.00 0.00 0.00 0.00 51.96 51.94 3l1i s ALA 99 Cb -0.00 -0.12 -0.09 0.00 0.00 0.00 0.00 23.12 22.90 3l1i s ALA 99 CO 0.95 -0.14 1.16 0.00 0.00 0.00 0.00 175.76 177.73 3l1i s ALA 100 N -0.53 3.25 -0.17 0.00 0.00 -1.26 -4.32 121.76 118.73 3l1i s ALA 100 Ca -0.06 0.96 -0.07 0.00 0.00 0.00 0.00 51.96 52.78 3l1i s ALA 100 Cb -0.04 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 3l1i s ALA 100 CO 0.01 -0.42 0.08 0.00 0.00 0.00 0.00 175.76 175.43 3l1i s ALA 101 N -1.34 3.51 -0.51 0.00 0.00 -0.10 -0.79 121.76 122.53 3l1i s ALA 101 Ca 0.53 -0.72 -0.24 0.00 0.00 0.00 0.00 51.96 51.53 3l1i s ALA 101 Cb -0.31 -1.94 0.04 0.00 0.00 0.00 0.00 23.12 20.91 3l1i s ALA 101 CO 0.40 0.27 0.87 -1.17 0.00 0.00 0.00 175.76 176.13 3l1i s LEU 102 N 0.09 4.20 -0.51 0.00 1.98 0.40 -0.40 118.68 124.43 3l1i s LEU 102 Ca 0.06 -0.28 -0.17 0.00 -2.89 0.00 0.00 54.13 50.85 3l1i s LEU 102 Cb -0.12 -2.87 0.09 0.00 0.66 0.00 0.00 46.19 43.94 3l1i s LEU 102 CO 0.00 -1.10 0.52 -0.22 -1.89 0.00 0.00 176.35 173.67 3l1i s LEU 103 N 3.65 5.53 -0.09 -0.68 2.96 0.14 -0.95 118.68 129.24 3l1i s LEU 103 Ca 0.30 -1.33 -0.21 0.00 -0.22 0.00 0.00 54.13 52.67 3l1i s LEU 103 Cb -0.13 -2.27 -0.04 0.00 0.50 0.00 0.00 46.19 44.25 3l1i s LEU 103 CO 0.20 -0.83 0.59 -0.22 -1.32 0.00 0.00 176.35 174.78 3l1i s LEU 104 N 2.05 4.29 -1.25 -0.68 0.20 -1.17 -2.20 118.68 119.93 3l1i s LEU 104 Ca 0.08 1.00 -0.10 0.00 0.69 0.00 0.00 54.13 55.80 3l1i s LEU 104 Cb -0.24 -2.89 0.18 0.00 -0.43 0.00 0.00 46.19 42.80 3l1i s LEU 104 CO 0.07 -0.06 1.75 -0.67 -0.29 0.00 0.00 176.35 177.15 3l1i n ASP 105 N 3.75 5.18 -4.75 3.68 2.03 -0.11 -4.64 116.55 121.69 3l1i n ASP 105 Ca -0.04 -3.09 -0.33 0.00 0.52 0.00 0.00 54.79 51.85 3l1i n ASP 105 Cb 0.51 -1.49 0.07 0.00 -0.72 0.00 0.00 41.12 39.49 3l1i n ASP 105 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 3l1i s TYR 106 N 0.50 2.40 0.29 -0.67 -0.85 -1.26 -4.39 117.35 113.37 3l1i s TYR 106 Ca 0.40 1.58 -0.30 0.00 -0.52 0.00 0.00 57.07 58.23 3l1i s TYR 106 Cb 0.06 -3.26 -0.13 0.00 0.38 0.00 0.00 41.96 39.01 3l1i s TYR 106 CO 0.01 -2.03 1.36 0.54 -1.52 0.00 0.00 175.55 173.91 3l1i n ARG 107 N -2.65 2.10 -4.19 -3.49 1.74 -1.26 -5.00 116.66 103.90 3l1i n ARG 107 Ca 0.11 0.74 -0.30 0.00 -0.77 0.00 0.00 57.85 57.63 3l1i n ARG 107 Cb 0.51 -2.37 -0.09 0.00 -1.02 0.00 0.00 32.46 29.50 3l1i n ARG 107 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3l1i s LEU 108 N -0.40 3.37 0.60 0.55 1.43 -1.26 -4.08 118.68 118.88 3l1i s LEU 108 Ca 0.62 -0.19 -0.08 0.00 -1.03 0.00 0.00 54.13 53.45 3l1i s LEU 108 Cb -0.61 -2.08 -0.01 0.00 0.03 0.00 0.00 46.19 43.52 3l1i s LEU 108 CO 0.55 0.20 0.95 0.00 0.23 0.00 0.00 176.35 178.27 3l1i s ALA 109 N -1.24 3.19 -1.35 4.21 0.00 -0.27 -1.17 121.76 125.13 3l1i s ALA 109 Ca 0.24 -0.43 0.26 0.00 0.00 0.00 0.00 51.96 52.03 3l1i s ALA 109 Cb -0.11 -2.80 1.30 0.00 0.00 0.00 0.00 23.12 21.50 3l1i s ALA 109 CO 0.16 -0.74 1.89 -0.35 0.00 0.00 0.00 175.76 176.71 3l1i n PRO 110 N -2.64 0.31 -0.23 0.00 -0.04 -1.26 -4.19 135.00 126.95 3l1i n PRO 110 Ca 0.04 0.04 -0.02 0.00 -0.04 0.00 0.00 63.50 63.53 3l1i n PRO 110 Cb 0.56 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.71 3l1i n PRO 110 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3l1i h GLU 111 N 0.00 1.03 -3.05 0.54 3.07 -1.92 -3.37 114.58 110.88 3l1i h GLU 111 Ca 0.00 -0.12 -0.58 0.00 -0.50 0.00 0.00 59.36 58.16 3l1i h GLU 111 Cb 0.28 -0.20 -0.40 0.00 -0.84 0.00 0.00 28.75 27.59 3l1i h GLU 111 CO 0.00 0.76 -0.78 -1.01 -1.40 0.00 0.00 179.01 176.58 3l1i s HIS 112 N -5.68 1.30 0.91 4.33 3.76 -0.31 -5.06 115.29 114.55 3l1i s HIS 112 Ca -0.11 -1.73 -0.12 0.00 -0.15 0.00 0.00 55.06 52.94 3l1i s HIS 112 Cb 0.17 -1.43 0.14 0.00 1.11 0.00 0.00 32.58 32.57 3l1i s HIS 112 CO 0.80 -0.83 1.12 -2.14 -0.85 0.00 0.00 174.74 172.83 3l1i s PRO 113 N 1.26 1.11 0.05 8.40 0.02 -1.26 -2.83 135.00 141.75 3l1i s PRO 113 Ca 0.14 0.44 -0.37 0.00 0.02 0.00 0.00 61.00 61.23 3l1i s PRO 113 Cb -0.20 -1.82 -0.19 0.00 0.02 0.00 0.00 34.50 32.30 3l1i s PRO 113 CO -0.15 -2.25 0.97 0.34 -0.33 0.00 0.00 177.00 175.59 3l1i n PHE 114 N -3.83 0.47 -1.19 6.54 7.35 0.01 -1.50 117.46 125.30 3l1i n PHE 114 Ca 0.06 1.01 -0.13 0.00 -0.76 0.00 0.00 57.45 57.63 3l1i n PHE 114 Cb 0.58 -2.08 0.23 0.00 0.35 0.00 0.00 39.48 38.56 3l1i n PHE 114 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3l1i n PRO 115 N 1.45 2.73 -0.11 -7.13 -0.04 -1.26 -4.94 135.00 125.71 3l1i n PRO 115 Ca 0.19 -3.06 -0.07 0.00 -0.04 0.00 0.00 63.50 60.52 3l1i n PRO 115 Cb 0.13 -2.12 -0.00 0.00 -0.04 0.00 0.00 33.50 31.47 3l1i n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3l1i h ALA 116 N 1.63 -0.07 -0.98 0.55 0.00 -1.53 -0.91 119.26 117.95 3l1i h ALA 116 Ca 0.41 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.49 3l1i h ALA 116 Cb 2.41 0.59 -0.06 0.00 0.00 0.00 0.00 17.79 20.73 3l1i h ALA 116 CO 0.81 -0.66 0.63 0.00 0.00 0.00 0.00 179.25 180.04 3l1i h ALA 117 N 0.91 1.34 -0.29 0.00 0.00 -1.81 -0.05 119.26 119.36 3l1i h ALA 117 Ca 0.18 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3l1i h ALA 117 Cb 0.49 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3l1i h ALA 117 CO -0.50 0.44 0.11 0.28 0.00 0.00 0.00 179.25 179.59 3l1i h VAL 118 N 1.17 1.18 -0.36 0.00 2.07 -1.72 -0.72 116.25 117.88 3l1i h VAL 118 Ca 0.41 -0.57 0.04 0.00 0.82 0.00 0.00 66.70 67.41 3l1i h VAL 118 Cb 0.12 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 3l1i h VAL 118 CO -0.16 0.19 0.12 -0.33 0.02 0.00 0.00 177.57 177.42 3l1i h GLU 119 N 0.32 0.27 -0.61 1.57 5.08 -0.79 0.93 114.58 121.35 3l1i h GLU 119 Ca 0.10 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3l1i h GLU 119 Cb 0.20 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 3l1i h GLU 119 CO -0.01 0.18 0.40 -0.44 -1.00 0.00 0.00 179.01 178.14 3l1i h ASP 120 N 0.28 0.70 0.11 1.42 3.32 -0.91 -1.09 116.42 120.24 3l1i h ASP 120 Ca 0.16 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 3l1i h ASP 120 Cb 0.14 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 3l1i h ASP 120 CO -0.17 0.52 -0.07 1.23 -1.72 0.00 0.00 179.24 179.03 3l1i h GLY 121 N 0.82 -0.17 0.97 2.75 0.00 -0.56 0.34 103.07 107.23 3l1i h GLY 121 Ca 0.22 0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.62 3l1i h GLY 121 CO -0.05 -0.07 0.13 -2.08 0.00 0.00 0.00 176.54 174.48 3l1i h VAL 122 N -0.17 1.09 -0.79 4.60 2.07 -0.75 -1.57 116.25 120.72 3l1i h VAL 122 Ca -0.01 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 3l1i h VAL 122 Cb 0.15 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 3l1i h VAL 122 CO 0.01 0.08 0.48 0.00 0.02 0.00 0.00 177.57 178.16 3l1i h ALA 123 N 1.04 1.01 -0.68 1.67 0.00 -0.96 0.12 119.26 121.46 3l1i h ALA 123 Ca 0.08 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.97 3l1i h ALA 123 Cb 0.02 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 17.43 3l1i h ALA 123 CO -0.02 0.47 0.36 0.00 0.00 0.00 0.00 179.25 180.07 3l1i h ALA 124 N 1.25 0.91 -0.14 0.00 0.00 -0.67 0.59 119.26 121.21 3l1i h ALA 124 Ca 0.28 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 3l1i h ALA 124 Cb -0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3l1i h ALA 124 CO -0.05 0.00 0.04 -0.92 0.00 0.00 0.00 179.25 178.32 3l1i h TYR 125 N 0.64 0.22 -0.69 0.00 3.20 -0.76 -2.00 116.97 117.58 3l1i h TYR 125 Ca 0.31 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.22 3l1i h TYR 125 Cb 0.25 -0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.40 3l1i h TYR 125 CO -0.09 0.34 0.39 -0.09 -1.64 0.00 0.00 178.16 177.07 3l1i h ARG 126 N 0.04 0.69 -0.75 1.82 2.43 0.09 -1.78 114.38 116.92 3l1i h ARG 126 Ca 0.04 -0.04 0.10 0.00 -0.81 0.00 0.00 59.98 59.27 3l1i h ARG 126 Cb 0.23 -0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 29.55 3l1i h ARG 126 CO -0.00 0.46 0.39 2.35 -1.51 0.00 0.00 179.97 181.66 3l1i h TRP 127 N 0.71 0.70 0.38 2.20 7.01 0.34 0.35 115.95 127.64 3l1i h TRP 127 Ca 0.31 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.32 3l1i h TRP 127 Cb 0.20 -0.20 0.00 0.00 -2.10 0.00 0.00 29.16 27.06 3l1i h TRP 127 CO -0.08 0.26 -0.18 -0.07 -2.79 0.00 0.00 178.44 175.58 3l1i h LEU 128 N 0.66 -0.43 -0.46 0.65 3.38 -0.58 -0.42 115.31 118.11 3l1i h LEU 128 Ca 0.37 -0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.38 3l1i h LEU 128 Cb 0.38 0.11 -0.10 0.00 0.09 0.00 0.00 40.66 41.14 3l1i h LEU 128 CO -0.27 -0.22 -0.31 -0.07 0.09 0.00 0.00 178.44 177.67 3l1i h LEU 129 N -0.62 -1.03 -1.99 1.67 3.38 -1.13 -0.34 115.31 115.25 3l1i h LEU 129 Ca -0.05 0.20 0.19 0.00 0.09 0.00 0.00 57.88 58.30 3l1i h LEU 129 Cb 0.45 0.50 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 3l1i h LEU 129 CO 0.08 -0.30 0.51 0.44 0.09 0.00 0.00 178.44 179.27 3l1i h ASP 130 N -0.20 0.00 1.00 -0.43 3.45 -0.13 -1.50 116.42 118.61 3l1i h ASP 130 Ca 0.20 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.66 3l1i h ASP 130 Cb 0.53 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.30 3l1i h ASP 130 CO -0.58 0.00 -0.08 0.00 -1.57 0.00 0.00 179.24 177.02 3l1i n GLN 131 N -4.14 0.04 0.00 3.56 1.13 -0.17 -4.89 117.38 112.91 3l1i n GLN 131 Ca 0.13 0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.22 3l1i n GLN 131 Cb 0.77 -1.54 0.00 0.00 0.11 0.00 0.00 30.24 29.57 3l1i n GLN 131 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3l1i n GLY 132 N 1.47 0.77 3.74 1.08 0.00 -0.57 -5.09 105.19 106.60 3l1i n GLY 132 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3l1i n GLY 132 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3l1i s PHE 133 N -2.00 3.38 0.20 1.61 0.40 -1.02 -5.00 117.98 115.55 3l1i s PHE 133 Ca 0.00 1.38 -0.22 0.00 -0.60 0.00 0.00 56.93 57.49 3l1i s PHE 133 Cb 0.00 -3.47 -0.08 0.00 0.51 0.00 0.00 43.02 39.98 3l1i s PHE 133 CO 0.00 -1.36 0.75 0.15 0.70 0.00 0.00 175.22 175.46 3l1i s LYS 134 N -0.28 4.39 0.32 0.44 -0.14 -1.26 -4.26 119.74 118.95 3l1i s LYS 134 Ca 0.53 1.00 0.09 0.00 -1.36 0.00 0.00 55.97 56.23 3l1i s LYS 134 Cb -0.34 -3.04 0.96 0.00 -1.68 0.00 0.00 37.83 33.73 3l1i s LYS 134 CO 0.38 0.47 1.53 -2.30 -0.76 0.00 0.00 175.35 174.67 3l1i n PRO 135 N 1.11 -0.07 0.00 -1.68 -0.02 -1.26 0.23 135.00 133.31 3l1i n PRO 135 Ca -0.04 1.42 0.11 0.00 -2.02 0.00 0.00 63.50 62.97 3l1i n PRO 135 Cb 0.50 -2.36 0.54 0.00 -0.02 0.00 0.00 33.50 32.16 3l1i n PRO 135 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3l1i n GLN 136 N -5.37 0.23 -0.30 -0.52 0.00 -1.26 -1.88 117.38 108.28 3l1i n GLN 136 Ca 0.28 0.09 0.08 0.00 0.00 0.00 0.00 57.00 57.45 3l1i n GLN 136 Cb 0.94 -1.50 0.23 0.00 0.00 0.00 0.00 30.24 29.91 3l1i n GLN 136 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 3l1i n HIS 137 N -1.35 0.77 -4.35 2.61 8.25 0.14 -4.61 115.22 116.67 3l1i n HIS 137 Ca 0.09 -0.54 -0.27 0.00 -0.26 0.00 0.00 57.72 56.74 3l1i n HIS 137 Cb 0.20 -0.07 -0.10 0.00 1.12 0.00 0.00 29.99 31.14 3l1i n HIS 137 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3l1i s LEU 138 N -1.23 2.73 0.00 2.41 1.43 -0.93 -2.28 118.68 120.81 3l1i s LEU 138 Ca 0.35 -0.71 -0.11 0.00 -1.03 0.00 0.00 54.13 52.64 3l1i s LEU 138 Cb 0.20 -1.44 0.01 0.00 0.03 0.00 0.00 46.19 44.99 3l1i s LEU 138 CO 0.21 0.11 0.21 -0.55 0.23 0.00 0.00 176.35 176.57 3l1i s SER 139 N -2.77 -0.06 -0.04 2.29 0.15 -1.03 -0.75 113.70 111.49 3l1i s SER 139 Ca 0.23 -0.12 0.04 0.00 0.70 0.00 0.00 55.95 56.81 3l1i s SER 139 Cb -0.08 0.26 -0.00 0.00 -1.71 0.00 0.00 66.02 64.48 3l1i s SER 139 CO 0.13 -0.43 -0.17 -0.63 1.20 0.00 0.00 173.24 173.33 3l1i s ILE 140 N -1.53 1.45 0.08 6.45 1.01 -1.01 -0.98 121.20 126.67 3l1i s ILE 140 Ca -0.13 -0.73 -0.09 0.00 0.00 0.00 0.00 60.65 59.70 3l1i s ILE 140 Cb -0.06 -1.24 -0.00 0.00 0.01 0.00 0.00 42.46 41.17 3l1i s ILE 140 CO 0.02 0.42 0.19 -0.55 0.00 0.00 0.00 174.94 175.01 3l1i s SER 141 N -0.02 0.12 0.00 3.58 0.15 -0.32 -0.80 113.70 116.40 3l1i s SER 141 Ca -0.03 -0.63 0.00 0.00 0.70 0.00 0.00 55.95 55.99 3l1i s SER 141 Cb -0.11 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 3l1i s SER 141 CO 0.02 -0.71 0.00 0.61 1.20 0.00 0.00 173.24 174.36 3l1i n GLY 142 N 0.01 0.70 3.13 9.45 0.00 -1.12 0.37 105.19 117.73 3l1i n GLY 142 Ca -0.15 -0.83 -0.23 0.00 0.00 0.00 0.00 46.02 44.80 3l1i n GLY 142 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3l1i s ASP 143 N 0.00 1.82 1.56 1.61 -4.77 -1.15 -0.81 116.67 114.93 3l1i s ASP 143 Ca 0.00 -0.28 0.00 0.00 -3.30 0.00 0.00 52.55 48.97 3l1i s ASP 143 Cb 0.00 -0.21 0.00 0.00 -1.09 0.00 0.00 42.92 41.62 3l1i s ASP 143 CO 0.00 0.19 0.00 -0.24 0.70 0.00 0.00 175.17 175.82 3l1i n SER 144 N 2.71 0.00 -0.22 2.11 2.88 0.08 -1.30 113.62 119.88 3l1i n SER 144 Ca -0.14 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.40 3l1i n SER 144 Cb 0.55 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 64.13 3l1i n SER 144 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3l1i h ALA 145 N -0.56 0.87 -0.67 -1.46 0.00 -1.84 0.25 119.26 115.85 3l1i h ALA 145 Ca 0.00 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.01 3l1i h ALA 145 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3l1i h ALA 145 CO 0.00 -0.12 0.44 0.78 0.00 0.00 0.00 179.25 180.35 3l1i h GLY 146 N 0.50 0.91 2.00 0.00 0.00 -1.12 0.93 103.07 106.30 3l1i h GLY 146 Ca 0.33 -0.31 -0.10 0.00 0.00 0.00 0.00 47.33 47.24 3l1i h GLY 146 CO -0.28 0.27 -0.49 -1.33 0.00 0.00 0.00 176.54 174.71 3l1i h GLY 147 N 0.80 0.00 0.88 4.60 0.00 -0.81 0.28 103.07 108.82 3l1i h GLY 147 Ca 0.27 -0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.52 3l1i h GLY 147 CO -0.08 0.00 -0.16 -1.33 0.00 0.00 0.00 176.54 174.98 3l1i h GLY 148 N 1.47 0.61 0.67 4.60 0.00 -0.73 -3.24 103.07 106.45 3l1i h GLY 148 Ca -0.00 -0.57 0.08 0.00 0.00 0.00 0.00 47.33 46.84 3l1i h GLY 148 CO 0.06 0.52 0.63 -2.00 0.00 0.00 0.00 176.54 175.75 3l1i h LEU 149 N 0.28 0.97 -0.56 3.11 6.46 0.07 0.17 115.31 125.82 3l1i h LEU 149 Ca 0.05 0.02 0.05 0.00 -0.12 0.00 0.00 57.88 57.89 3l1i h LEU 149 Cb 0.68 -0.18 -0.08 0.00 -0.73 0.00 0.00 40.66 40.35 3l1i h LEU 149 CO 0.04 0.59 -0.44 0.58 -0.62 0.00 0.00 178.44 178.59 3l1i h VAL 150 N 1.08 0.00 -0.66 1.05 2.07 -0.50 0.46 116.25 119.75 3l1i h VAL 150 Ca 0.45 0.00 0.03 0.00 0.82 0.00 0.00 66.70 68.00 3l1i h VAL 150 Cb 0.29 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.01 3l1i h VAL 150 CO -0.20 0.00 0.40 -0.07 0.02 0.00 0.00 177.57 177.73 3l1i h LEU 151 N -0.14 0.65 -0.01 2.57 -0.00 -1.37 -0.85 115.31 116.17 3l1i h LEU 151 Ca 0.09 0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 57.98 3l1i h LEU 151 Cb 0.37 -0.13 -0.00 0.00 -0.00 0.00 0.00 40.66 40.90 3l1i h LEU 151 CO -0.60 0.45 0.00 0.00 -0.00 0.00 0.00 178.44 178.29 3l1i h ALA 152 N 1.29 0.01 -0.75 1.53 0.00 -0.35 -0.97 119.26 120.03 3l1i h ALA 152 Ca 0.27 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.28 3l1i h ALA 152 Cb 0.05 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.75 3l1i h ALA 152 CO -0.12 -0.47 0.35 0.28 0.00 0.00 0.00 179.25 179.29 3l1i h VAL 153 N -0.04 0.75 0.48 0.00 2.07 0.39 0.63 116.25 120.53 3l1i h VAL 153 Ca 0.00 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 3l1i h VAL 153 Cb 0.05 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 3l1i h VAL 153 CO -0.00 0.10 -0.23 -0.07 0.02 0.00 0.00 177.57 177.39 3l1i h LEU 154 N 0.54 -0.54 0.15 2.57 3.38 -0.75 0.86 115.31 121.52 3l1i h LEU 154 Ca 0.40 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.37 3l1i h LEU 154 Cb 0.53 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 3l1i h LEU 154 CO -0.34 -0.34 -0.31 0.58 0.09 0.00 0.00 178.44 178.12 3l1i h VAL 155 N -0.70 0.34 -0.27 1.22 2.07 -0.92 0.49 116.25 118.48 3l1i h VAL 155 Ca -0.07 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.50 3l1i h VAL 155 Cb 0.52 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 3l1i h VAL 155 CO 0.11 0.00 -0.03 -1.28 0.02 0.00 0.00 177.57 176.38 3l1i h SER 156 N -0.55 -0.18 -0.32 0.57 0.87 -0.89 0.36 113.55 113.41 3l1i h SER 156 Ca 0.02 0.07 0.06 0.00 -1.23 0.00 0.00 61.79 60.72 3l1i h SER 156 Cb 0.57 0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 62.60 3l1i h SER 156 CO -0.16 -0.06 -0.07 0.00 -0.53 0.00 0.00 176.83 176.01 3l1i h ALA 157 N 1.25 0.22 -0.24 6.23 0.00 -0.39 -1.62 119.26 124.71 3l1i h ALA 157 Ca 0.13 0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.21 3l1i h ALA 157 Cb 0.18 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 3l1i h ALA 157 CO -0.24 -0.46 -0.08 -0.09 0.00 0.00 0.00 179.25 178.38 3l1i h ARG 158 N 0.01 -0.03 -0.46 0.00 2.43 0.74 -1.27 114.38 115.80 3l1i h ARG 158 Ca 0.15 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.42 3l1i h ARG 158 Cb 0.23 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 3l1i h ARG 158 CO -0.32 -0.02 0.31 -0.44 -1.51 0.00 0.00 179.97 177.99 3l1i h ASP 159 N -0.03 0.19 -0.42 -3.80 3.32 -0.15 -0.69 116.42 114.84 3l1i h ASP 159 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3l1i h ASP 159 Cb 0.22 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3l1i h ASP 159 CO -0.27 0.11 0.00 0.00 -1.72 0.00 0.00 179.24 177.37 3l1i n GLN 160 N -4.45 2.81 -0.63 3.56 6.02 -0.69 -4.93 117.38 119.07 3l1i n GLN 160 Ca 0.07 -1.86 0.00 0.00 -0.01 0.00 0.00 57.00 55.20 3l1i n GLN 160 Cb 0.38 -1.69 0.00 0.00 1.02 0.00 0.00 30.24 29.95 3l1i n GLN 160 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3l1i n GLY 161 N 0.82 1.00 3.77 1.08 0.00 -0.27 -5.03 105.19 106.56 3l1i n GLY 161 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 3l1i n GLY 161 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3l1i s LEU 162 N 0.00 4.18 0.50 0.99 1.02 -0.55 -4.99 118.68 119.83 3l1i s LEU 162 Ca 0.00 2.47 -0.21 0.00 0.02 0.00 0.00 54.13 56.41 3l1i s LEU 162 Cb 0.00 -4.00 -0.07 0.00 0.02 0.00 0.00 46.19 42.15 3l1i s LEU 162 CO 0.00 -0.79 1.14 -2.16 0.02 0.00 0.00 176.35 174.56 3l1i s PRO 163 N -2.32 3.55 0.46 1.29 0.04 -1.26 -4.38 135.00 132.38 3l1i s PRO 163 Ca 0.58 1.66 -0.21 0.00 0.04 0.00 0.00 61.00 63.07 3l1i s PRO 163 Cb -0.34 -2.18 -0.10 0.00 0.04 0.00 0.00 34.50 31.93 3l1i s PRO 163 CO 0.42 -0.70 0.99 -1.64 0.04 0.00 0.00 177.00 176.12 3l1i s MET 164 N -3.03 4.03 0.92 4.56 -1.94 -1.26 -4.97 119.30 117.61 3l1i s MET 164 Ca 0.69 1.24 -0.14 0.00 -1.71 0.00 0.00 55.69 55.76 3l1i s MET 164 Cb -0.25 -2.14 0.21 0.00 2.01 0.00 0.00 34.83 34.65 3l1i s MET 164 CO 0.30 -0.22 1.25 -0.35 -0.01 0.00 0.00 175.02 175.99 3l1i n PRO 165 N -0.78 -1.11 0.24 2.03 -0.04 -1.26 -4.66 135.00 129.42 3l1i n PRO 165 Ca 0.08 -2.08 0.14 0.00 -0.04 0.00 0.00 63.50 61.60 3l1i n PRO 165 Cb 0.53 -1.24 0.39 0.00 -0.04 0.00 0.00 33.50 33.14 3l1i n PRO 165 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3l1i h ALA 166 N -1.65 1.00 -2.84 0.55 0.00 -0.21 -3.43 119.26 112.69 3l1i h ALA 166 Ca -0.41 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.58 3l1i h ALA 166 Cb 1.15 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 3l1i h ALA 166 CO 0.30 0.01 0.29 -1.54 0.00 0.00 0.00 179.25 178.31 3l1i s SER 167 N -5.99 -0.30 -0.17 0.00 1.04 -1.23 -4.12 113.70 102.92 3l1i s SER 167 Ca 0.04 -0.44 -0.13 0.00 0.48 0.00 0.00 55.95 55.91 3l1i s SER 167 Cb 0.07 0.64 0.05 0.00 0.10 0.00 0.00 66.02 66.89 3l1i s SER 167 CO 0.62 -1.17 0.44 0.00 0.98 0.00 0.00 173.24 174.11 3l1i s ALA 168 N -3.73 -1.12 -0.39 5.32 0.00 -0.51 -2.40 121.76 118.93 3l1i s ALA 168 Ca 0.09 1.45 0.03 0.00 0.00 0.00 0.00 51.96 53.54 3l1i s ALA 168 Cb -0.04 -0.86 0.11 0.00 0.00 0.00 0.00 23.12 22.33 3l1i s ALA 168 CO 0.02 -0.25 0.13 0.42 0.00 0.00 0.00 175.76 176.08 3l1i s ILE 169 N 0.87 2.06 -0.02 0.00 1.09 0.02 -1.85 121.20 123.37 3l1i s ILE 169 Ca -0.05 -2.47 -0.30 0.00 -1.10 0.00 0.00 60.65 56.73 3l1i s ILE 169 Cb -0.06 -2.50 -0.03 0.00 -1.06 0.00 0.00 42.46 38.82 3l1i s ILE 169 CO -0.07 -0.69 0.98 -2.16 -0.10 0.00 0.00 174.94 172.90 3l1i s PRO 170 N 0.66 4.54 -0.23 2.79 0.04 -1.14 -2.78 135.00 138.88 3l1i s PRO 170 Ca 0.13 1.40 -0.06 0.00 0.04 0.00 0.00 61.00 62.51 3l1i s PRO 170 Cb -0.21 -3.47 -0.03 0.00 0.04 0.00 0.00 34.50 30.83 3l1i s PRO 170 CO -0.08 -0.08 0.04 0.42 0.04 0.00 0.00 177.00 177.34 3l1i s ILE 171 N 1.15 4.17 -1.44 0.56 1.01 0.01 -1.60 121.20 125.05 3l1i s ILE 171 Ca 0.51 -0.23 -0.08 0.00 0.00 0.00 0.00 60.65 60.86 3l1i s ILE 171 Cb -0.21 -2.92 0.01 0.00 0.01 0.00 0.00 42.46 39.35 3l1i s ILE 171 CO 0.26 0.38 0.23 -1.20 0.00 0.00 0.00 174.94 174.62 3l1i n SER 172 N 4.57 -0.48 -4.77 3.58 7.64 0.22 -0.74 113.62 123.63 3l1i n SER 172 Ca -0.17 -1.23 -0.40 0.00 1.01 0.00 0.00 58.87 58.09 3l1i n SER 172 Cb 0.52 -1.92 -0.01 0.00 -1.01 0.00 0.00 64.21 61.78 3l1i n SER 172 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3l1i s PRO 173 N -7.21 4.14 -0.67 1.43 0.04 -1.26 -2.54 135.00 128.93 3l1i s PRO 173 Ca 0.12 2.13 -0.17 0.00 0.04 0.00 0.00 61.00 63.12 3l1i s PRO 173 Cb -0.06 -2.88 0.14 0.00 0.04 0.00 0.00 34.50 31.75 3l1i s PRO 173 CO 0.97 -0.34 0.70 -0.46 0.04 0.00 0.00 177.00 177.91 3l1i s TRP 174 N -1.23 3.29 -0.17 0.56 -0.00 0.66 -4.60 118.94 117.45 3l1i s TRP 174 Ca 0.54 -1.37 0.17 0.00 -0.00 0.00 0.00 56.10 55.43 3l1i s TRP 174 Cb -0.38 -3.93 0.38 0.00 -0.00 0.00 0.00 33.47 29.55 3l1i s TRP 174 CO 0.49 -1.15 1.26 0.00 -0.00 0.00 0.00 176.95 177.55 3l1i n ALA 175 N 5.41 2.57 -3.20 5.86 0.00 -1.26 -3.97 120.51 125.92 3l1i n ALA 175 Ca -0.01 -2.41 0.00 0.00 0.00 0.00 0.00 53.44 51.02 3l1i n ALA 175 Cb 0.44 -0.51 -0.02 0.00 0.00 0.00 0.00 19.45 19.36 3l1i n ALA 175 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3l1i s ASP 176 N -2.37 -1.04 0.00 0.00 -1.08 -1.26 -1.44 116.67 109.47 3l1i s ASP 176 Ca 0.35 0.02 0.14 0.00 -0.52 0.00 0.00 52.55 52.54 3l1i s ASP 176 Cb 0.29 1.76 0.74 0.00 -1.46 0.00 0.00 42.92 44.26 3l1i s ASP 176 CO 0.06 -0.32 1.36 0.23 0.52 0.00 0.00 175.17 177.03 3l1i n MET 177 N 5.40 0.25 0.10 4.34 2.81 -1.26 -3.22 117.12 125.55 3l1i n MET 177 Ca 0.04 0.12 -0.01 0.00 -1.81 0.00 0.00 57.70 56.04 3l1i n MET 177 Cb 0.53 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.50 3l1i n MET 177 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 3l1i h THR 178 N 0.00 1.16 -6.23 2.03 1.35 -1.96 -3.48 112.91 105.79 3l1i h THR 178 Ca 0.00 -2.66 -0.44 0.00 -0.55 0.00 0.00 66.41 62.76 3l1i h THR 178 Cb 0.11 2.57 0.05 0.00 -1.73 0.00 0.00 68.15 69.14 3l1i h THR 178 CO 0.00 0.66 -0.90 0.00 -0.25 0.00 0.00 175.52 175.03 3l1i n THR 180 N -4.22 0.00 -1.54 0.00 -2.24 -1.26 -4.99 114.28 100.03 3l1i n THR 180 Ca -0.19 -0.34 -0.39 0.00 -2.27 0.00 0.00 64.05 60.85 3l1i n THR 180 Cb 0.64 0.88 0.03 0.00 -2.10 0.00 0.00 70.33 69.78 3l1i n THR 180 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3l1i n ASN 181 N -1.20 -0.04 -0.31 3.42 5.03 -1.26 -4.85 115.26 116.04 3l1i n ASN 181 Ca 0.00 0.83 0.16 0.00 0.87 0.00 0.00 54.58 56.45 3l1i n ASN 181 Cb 0.07 -1.27 0.40 0.00 -1.02 0.00 0.00 39.78 37.97 3l1i n ASN 181 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.26 175.87 3l1i h ASP 182 N 0.62 0.63 0.38 6.41 3.45 -1.96 -2.73 116.42 123.21 3l1i h ASP 182 Ca -0.46 0.08 0.00 0.00 0.43 0.00 0.00 57.03 57.08 3l1i h ASP 182 Cb 1.38 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 40.11 3l1i h ASP 182 CO 0.50 0.23 0.00 -1.54 -1.57 0.00 0.00 179.24 176.86 3l1i n SER 183 N -4.66 0.46 0.19 6.45 3.41 -1.26 -0.41 113.62 117.80 3l1i n SER 183 Ca 0.22 0.65 0.06 0.00 -0.26 0.00 0.00 58.87 59.55 3l1i n SER 183 Cb 0.64 -0.73 0.36 0.00 -0.26 0.00 0.00 64.21 64.22 3l1i n SER 183 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 3l1i h PHE 184 N 0.00 0.00 0.00 7.33 -1.00 -1.53 -1.41 116.94 120.32 3l1i h PHE 184 Ca 0.00 0.00 -0.34 0.00 2.81 0.00 0.00 57.97 60.44 3l1i h PHE 184 Cb 0.19 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.70 3l1i h PHE 184 CO 0.00 0.35 -1.86 1.63 -1.61 0.00 0.00 178.31 176.82 3l1i n LYS 185 N -3.53 0.57 -0.15 1.51 5.02 0.45 -4.11 118.16 117.92 3l1i n LYS 185 Ca -0.00 0.42 -0.02 0.00 -2.02 0.00 0.00 58.31 56.69 3l1i n LYS 185 Cb 0.49 -1.62 0.20 0.00 -0.02 0.00 0.00 35.03 34.08 3l1i n LYS 185 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3l1i h THR 186 N -1.00 1.22 -0.34 -0.18 1.03 -0.95 -3.05 112.91 109.64 3l1i h THR 186 Ca -0.51 -0.72 0.00 0.00 -0.01 0.00 0.00 66.41 65.17 3l1i h THR 186 Cb 1.44 0.55 0.00 0.00 -1.07 0.00 0.00 68.15 69.07 3l1i h THR 186 CO -0.31 0.28 0.00 0.54 -0.01 0.00 0.00 175.52 176.02 3l1i n ARG 187 N -4.30 2.54 -0.06 0.00 5.12 -0.53 -4.68 116.66 114.74 3l1i n ARG 187 Ca 0.05 -2.00 -0.07 0.00 -1.93 0.00 0.00 57.85 53.89 3l1i n ARG 187 Cb 0.19 -1.30 -0.01 0.00 -1.16 0.00 0.00 32.46 30.18 3l1i n ARG 187 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3l1i h ALA 188 N 2.36 0.06 -0.49 7.54 0.00 -1.62 -2.65 119.26 124.46 3l1i h ALA 188 Ca 0.00 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3l1i h ALA 188 Cb 0.73 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3l1i h ALA 188 CO 0.00 -0.55 -0.04 1.49 0.00 0.00 0.00 179.25 180.15 3l1i h GLU 189 N -0.12 0.85 0.00 0.00 4.81 -1.83 -3.03 114.58 115.26 3l1i h GLU 189 Ca 0.14 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 3l1i h GLU 189 Cb 0.32 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.62 3l1i h GLU 189 CO -0.32 0.87 0.00 0.00 -0.73 0.00 0.00 179.01 178.83 3l1i n ALA 190 N -2.48 1.96 -3.26 2.92 0.00 -1.05 -4.73 120.51 113.87 3l1i n ALA 190 Ca 0.02 0.01 -0.46 0.00 0.00 0.00 0.00 53.44 53.01 3l1i n ALA 190 Cb 0.33 -1.41 -0.04 0.00 0.00 0.00 0.00 19.45 18.33 3l1i n ALA 190 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3l1i s ASP 191 N -4.06 6.30 -0.02 0.00 -1.08 -1.03 -4.82 116.67 111.96 3l1i s ASP 191 Ca 0.08 -1.87 0.05 0.00 -0.52 0.00 0.00 52.55 50.29 3l1i s ASP 191 Cb 0.11 -2.24 0.17 0.00 -1.46 0.00 0.00 42.92 39.51 3l1i s ASP 191 CO 0.47 -0.88 0.99 -0.81 0.52 0.00 0.00 175.17 175.46 3l1i n PRO 192 N 5.32 1.64 -0.16 4.34 -0.04 -1.26 -4.99 135.00 139.85 3l1i n PRO 192 Ca -0.07 -0.69 0.06 0.00 -0.04 0.00 0.00 63.50 62.76 3l1i n PRO 192 Cb 0.42 -1.37 0.13 0.00 -0.04 0.00 0.00 33.50 32.64 3l1i n PRO 192 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3l1i n MET 193 N 0.08 2.37 0.00 0.54 2.81 -1.26 -4.73 117.12 116.93 3l1i n MET 193 Ca 0.06 -2.28 0.00 0.00 -1.81 0.00 0.00 57.70 53.68 3l1i n MET 193 Cb 0.29 -1.41 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 3l1i n MET 193 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3l1i n GLY 197 N -0.66 0.31 0.35 3.03 0.00 -1.26 -5.12 105.19 101.85 3l1i n GLY 197 Ca 0.12 0.66 -0.11 0.00 0.00 0.00 0.00 46.02 46.70 3l1i n GLY 197 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3l1i h GLY 198 N 0.00 -0.51 2.00 -0.02 0.00 -1.98 -2.24 103.07 100.33 3l1i h GLY 198 Ca 0.00 0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.74 3l1i h GLY 198 CO 0.00 -0.22 -0.12 1.19 0.00 0.00 0.00 176.54 177.39 3l1i h ILE 199 N -0.42 1.03 0.00 2.60 2.10 -2.01 -2.65 117.51 118.17 3l1i h ILE 199 Ca 0.09 -0.41 -0.07 0.00 1.08 0.00 0.00 64.86 65.55 3l1i h ILE 199 Cb 0.57 1.22 -0.01 0.00 -1.09 0.00 0.00 36.82 37.52 3l1i h ILE 199 CO -0.38 0.12 -0.34 0.78 -1.08 0.00 0.00 178.15 177.25 3l1i h ASN 200 N 0.00 0.00 -0.18 2.19 2.35 -1.84 -2.69 115.58 115.41 3l1i h ASN 200 Ca -0.00 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.65 3l1i h ASN 200 Cb 0.21 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 3l1i h ASN 200 CO 0.02 0.34 -0.26 0.50 -1.65 0.00 0.00 177.43 176.38 3l1i h LYS 201 N 0.00 0.49 0.05 0.81 1.63 -1.08 -0.97 116.57 117.50 3l1i h LYS 201 Ca -0.00 -0.29 0.00 0.00 -0.85 0.00 0.00 60.65 59.51 3l1i h LYS 201 Cb 0.98 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.63 3l1i h LYS 201 CO 0.04 0.88 -0.04 0.52 -3.45 0.00 0.00 179.45 177.41 3l1i h MET 202 N 0.14 -0.09 -0.29 1.90 2.86 -1.48 0.37 114.93 118.34 3l1i h MET 202 Ca 0.02 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.73 3l1i h MET 202 Cb 0.83 0.02 -0.07 0.00 0.06 0.00 0.00 31.60 32.43 3l1i h MET 202 CO 0.06 -0.06 -0.20 0.00 1.06 0.00 0.00 176.91 177.77 3l1i h ALA 203 N 0.86 -0.02 -0.35 6.32 0.00 -1.49 0.15 119.26 124.74 3l1i h ALA 203 Ca -0.00 0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.08 3l1i h ALA 203 Cb 0.08 0.46 -0.09 0.00 0.00 0.00 0.00 17.79 18.24 3l1i h ALA 203 CO -0.00 -0.61 -0.29 0.00 0.00 0.00 0.00 179.25 178.35 3l1i h ALA 204 N 0.97 -0.15 -0.40 0.00 0.00 -0.43 0.90 119.26 120.16 3l1i h ALA 204 Ca 0.16 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 3l1i h ALA 204 Cb 0.42 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3l1i h ALA 204 CO -0.40 -0.70 0.14 0.00 0.00 0.00 0.00 179.25 178.30 3l1i h ARG 205 N -0.25 0.56 -0.01 0.00 3.08 0.46 -1.72 114.38 116.51 3l1i h ARG 205 Ca 0.16 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 3l1i h ARG 205 Cb 0.51 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.46 3l1i h ARG 205 CO -0.49 0.48 -0.13 -0.92 -1.07 0.00 0.00 179.97 177.84 3l1i h TYR 206 N 0.56 0.15 -0.52 3.04 3.20 -0.02 -3.34 116.97 120.04 3l1i h TYR 206 Ca 0.14 -0.07 -0.06 0.00 3.14 0.00 0.00 58.73 61.87 3l1i h TYR 206 Cb 0.14 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 3l1i h TYR 206 CO 0.01 0.82 0.08 -0.07 -1.64 0.00 0.00 178.16 177.35 3l1i h LEU 207 N -0.56 0.84 -1.86 2.82 3.38 -0.77 0.06 115.31 119.22 3l1i h LEU 207 Ca -0.01 -0.26 -0.53 0.00 0.09 0.00 0.00 57.88 57.16 3l1i h LEU 207 Cb 0.84 -0.22 -0.11 0.00 0.09 0.00 0.00 40.66 41.26 3l1i h LEU 207 CO 0.03 0.89 -0.90 -3.20 0.09 0.00 0.00 178.44 175.34 3l1i n ASN 208 N -4.38 -0.32 0.00 -0.43 5.15 -0.65 -1.78 115.26 112.85 3l1i n ASN 208 Ca 0.02 -1.07 0.00 0.00 -0.60 0.00 0.00 54.58 52.93 3l1i n ASN 208 Cb 0.27 -2.68 0.00 0.00 -0.53 0.00 0.00 39.78 36.83 3l1i n ASN 208 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3l1i n GLY 209 N -2.05 2.07 3.77 8.20 0.00 -1.26 -5.06 105.19 110.85 3l1i n GLY 209 Ca -0.27 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 3l1i n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3l1i s ALA 210 N -2.57 2.39 -0.26 4.61 0.00 -0.74 -4.91 121.76 120.29 3l1i s ALA 210 Ca 0.00 0.45 -0.29 0.00 0.00 0.00 0.00 51.96 52.11 3l1i s ALA 210 Cb 0.00 -3.30 -0.06 0.00 0.00 0.00 0.00 23.12 19.75 3l1i s ALA 210 CO 0.00 -1.45 2.23 -3.47 0.00 0.00 0.00 175.76 173.07 3l1i n ASP 211 N -2.81 3.00 0.29 0.00 -0.08 -1.26 -4.88 116.55 110.81 3l1i n ASP 211 Ca 0.10 0.21 0.15 0.00 -1.51 0.00 0.00 54.79 53.73 3l1i n ASP 211 Cb 0.52 -1.50 0.78 0.00 2.34 0.00 0.00 41.12 43.26 3l1i n ASP 211 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3l1i h ALA 212 N 14.80 1.23 -0.61 -1.67 0.00 -1.94 0.25 119.26 131.33 3l1i h ALA 212 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3l1i h ALA 212 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3l1i h ALA 212 CO 0.98 -0.23 0.00 1.63 0.00 0.00 0.00 179.25 181.63 3l1i n LYS 213 N -2.72 4.04 -1.69 0.00 5.02 -1.26 -4.20 118.16 117.35 3l1i n LYS 213 Ca -0.02 -2.96 -0.44 0.00 -2.02 0.00 0.00 58.31 52.86 3l1i n LYS 213 Cb 0.29 -1.99 -0.03 0.00 -0.02 0.00 0.00 35.03 33.28 3l1i n LYS 213 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 3l1i n HIS 214 N 0.92 2.40 0.27 2.13 -0.00 0.88 -4.80 115.22 117.02 3l1i n HIS 214 Ca 0.26 0.29 0.10 0.00 0.46 0.00 0.00 57.72 58.83 3l1i n HIS 214 Cb 0.98 -2.54 0.71 0.00 -0.12 0.00 0.00 29.99 29.01 3l1i n HIS 214 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3l1i h PRO 215 N 5.31 0.00 0.00 1.57 0.11 -1.85 0.52 132.00 137.66 3l1i h PRO 215 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3l1i h PRO 215 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3l1i h PRO 215 CO 0.84 0.04 -0.39 0.66 -0.21 0.00 0.00 178.00 178.94 3l1i n TYR 216 N -4.23 0.12 -0.09 0.65 0.53 -1.26 -2.97 117.16 109.91 3l1i n TYR 216 Ca -0.03 0.04 -0.23 0.00 -1.02 0.00 0.00 57.90 56.66 3l1i n TYR 216 Cb 0.13 -0.40 -0.12 0.00 -1.03 0.00 0.00 39.34 37.92 3l1i n TYR 216 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3l1i n ALA 217 N -1.56 1.07 -3.87 -0.72 0.00 -0.19 -4.77 120.51 110.47 3l1i n ALA 217 Ca 0.05 -0.81 -0.30 0.00 0.00 0.00 0.00 53.44 52.38 3l1i n ALA 217 Cb 0.36 -0.31 -0.13 0.00 0.00 0.00 0.00 19.45 19.37 3l1i n ALA 217 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3l1i s SER 218 N -6.99 4.13 0.00 0.00 0.01 0.17 -4.59 113.70 106.43 3l1i s SER 218 Ca -0.31 -3.01 0.06 0.00 1.31 0.00 0.00 55.95 53.99 3l1i s SER 218 Cb 0.09 -1.44 0.26 0.00 0.21 0.00 0.00 66.02 65.14 3l1i s SER 218 CO 0.61 -0.22 1.19 -2.65 0.41 0.00 0.00 173.24 172.58 3l1i n PRO 219 N 3.08 0.00 0.00 12.44 -0.02 -1.11 -1.31 135.00 148.08 3l1i n PRO 219 Ca 0.08 0.40 0.06 0.00 -2.02 0.00 0.00 63.50 62.02 3l1i n PRO 219 Cb 0.33 -1.50 0.29 0.00 -0.02 0.00 0.00 33.50 32.60 3l1i n PRO 219 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3l1i n ASN 220 N -1.51 0.00 -0.39 2.55 3.02 -0.52 -2.32 115.26 116.10 3l1i n ASN 220 Ca 0.01 0.21 0.04 0.00 -0.03 0.00 0.00 54.58 54.81 3l1i n ASN 220 Cb 0.07 -0.34 0.11 0.00 -0.61 0.00 0.00 39.78 39.01 3l1i n ASN 220 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3l1i n PHE 221 N -1.34 0.31 -3.52 3.10 3.01 -0.43 -4.97 117.46 113.63 3l1i n PHE 221 Ca 0.05 -0.59 -0.21 0.00 1.01 0.00 0.00 57.45 57.71 3l1i n PHE 221 Cb 0.10 -0.08 -0.01 0.00 -0.01 0.00 0.00 39.48 39.49 3l1i n PHE 221 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3l1i s ALA 222 N -1.39 4.01 -0.45 4.37 0.00 -0.98 -4.75 121.76 122.57 3l1i s ALA 222 Ca 0.18 -1.26 -0.26 0.00 0.00 0.00 0.00 51.96 50.62 3l1i s ALA 222 Cb 0.12 -1.82 0.03 0.00 0.00 0.00 0.00 23.12 21.44 3l1i s ALA 222 CO 0.08 -0.02 0.93 1.21 0.00 0.00 0.00 175.76 177.97 3l1i s ASN 223 N -4.11 6.52 0.00 0.00 3.04 -1.26 -4.93 114.94 114.20 3l1i s ASN 223 Ca 0.42 0.17 0.27 0.00 0.04 0.00 0.00 52.86 53.76 3l1i s ASN 223 Cb -0.09 -2.45 0.96 0.00 -1.54 0.00 0.00 41.25 38.12 3l1i s ASN 223 CO 0.32 -1.04 1.71 0.18 -3.04 0.00 0.00 177.10 175.23 3l1i n LEU 224 N 7.15 0.39 -4.57 3.21 4.77 -1.26 -4.94 117.00 121.75 3l1i n LEU 224 Ca 0.06 0.12 -0.60 0.00 -0.03 0.00 0.00 56.01 55.57 3l1i n LEU 224 Cb 0.48 -0.29 -0.08 0.00 -2.33 0.00 0.00 43.42 41.20 3l1i n LEU 224 CO 0.64 0.08 0.77 0.29 -1.33 0.00 0.00 177.39 177.84 3l1i n LYS 225 N -1.27 0.19 -0.35 3.23 5.02 -1.25 -1.92 118.16 121.81 3l1i n LYS 225 Ca 0.09 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 3l1i n LYS 225 Cb 0.32 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 3l1i n LYS 225 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3l1i n GLY 226 N 2.28 1.12 3.78 0.72 0.00 -1.26 -5.05 105.19 106.78 3l1i n GLY 226 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 3l1i n GLY 226 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3l1i s LEU 227 N 0.00 3.22 0.85 0.99 1.43 -0.81 -4.91 118.68 119.46 3l1i s LEU 227 Ca 0.00 1.86 -0.12 0.00 -1.03 0.00 0.00 54.13 54.84 3l1i s LEU 227 Cb 0.00 -4.53 0.13 0.00 0.03 0.00 0.00 46.19 41.82 3l1i s LEU 227 CO 0.00 -1.72 1.20 -2.16 0.23 0.00 0.00 176.35 173.90 3l1i s PRO 228 N -4.54 1.38 0.45 1.29 0.04 -1.26 -4.71 135.00 127.65 3l1i s PRO 228 Ca 0.63 -0.28 -0.25 0.00 0.04 0.00 0.00 61.00 61.14 3l1i s PRO 228 Cb -0.18 -1.97 -0.08 0.00 0.04 0.00 0.00 34.50 32.31 3l1i s PRO 228 CO 0.49 -1.90 1.38 -1.25 0.04 0.00 0.00 177.00 175.76 3l1i s PRO 229 N -5.63 3.70 -0.05 0.56 0.04 -1.26 -4.68 135.00 127.68 3l1i s PRO 229 Ca 0.67 2.32 0.06 0.00 0.04 0.00 0.00 61.00 64.10 3l1i s PRO 229 Cb -0.07 -2.63 -0.02 0.00 0.04 0.00 0.00 34.50 31.82 3l1i s PRO 229 CO 0.50 -0.77 -0.23 -0.51 0.04 0.00 0.00 177.00 176.02 3l1i s LEU 230 N -2.75 2.18 -0.22 -3.56 1.02 0.48 -1.43 118.68 114.40 3l1i s LEU 230 Ca 0.61 -0.45 -0.04 0.00 0.02 0.00 0.00 54.13 54.28 3l1i s LEU 230 Cb -0.42 -1.39 -0.01 0.00 0.02 0.00 0.00 46.19 44.39 3l1i s LEU 230 CO 0.53 0.28 -0.04 -0.22 0.02 0.00 0.00 176.35 176.92 3l1i s LEU 231 N -0.37 2.90 -0.17 1.79 0.20 -0.77 -0.70 118.68 121.55 3l1i s LEU 231 Ca 0.03 -0.39 -0.04 0.00 0.69 0.00 0.00 54.13 54.42 3l1i s LEU 231 Cb -0.12 -1.74 -0.03 0.00 -0.43 0.00 0.00 46.19 43.87 3l1i s LEU 231 CO 0.02 -0.02 -0.02 -0.63 -0.29 0.00 0.00 176.35 175.41 3l1i s ILE 232 N 1.45 3.99 -0.06 6.68 1.01 0.10 -2.89 121.20 131.47 3l1i s ILE 232 Ca 0.05 -0.32 0.02 0.00 0.00 0.00 0.00 60.65 60.40 3l1i s ILE 232 Cb -0.14 -2.76 -0.03 0.00 0.01 0.00 0.00 42.46 39.54 3l1i s ILE 232 CO -0.03 0.48 -0.10 -1.00 0.00 0.00 0.00 174.94 174.29 3l1i s HIS 233 N 0.48 2.85 -0.13 3.97 3.76 -0.63 -1.21 115.29 124.38 3l1i s HIS 233 Ca -0.02 -0.04 -0.29 0.00 -0.15 0.00 0.00 55.06 54.56 3l1i s HIS 233 Cb -0.14 -1.68 0.08 0.00 1.11 0.00 0.00 32.58 31.95 3l1i s HIS 233 CO 0.02 0.28 0.73 0.54 -0.85 0.00 0.00 174.74 175.47 3l1i s VAL 234 N -0.78 0.00 0.29 -0.90 0.11 -1.15 0.68 120.40 118.66 3l1i s VAL 234 Ca 0.12 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 59.06 3l1i s VAL 234 Cb -0.11 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.67 3l1i s VAL 234 CO 0.01 0.00 0.64 -0.83 -3.33 0.00 0.00 175.10 171.59 3l1i s GLY 235 N -0.67 2.19 0.53 6.54 0.00 -1.26 -1.05 107.32 113.60 3l1i s GLY 235 Ca -0.06 -0.20 0.23 0.00 0.00 0.00 0.00 44.72 44.68 3l1i s GLY 235 CO 0.06 -0.03 2.15 -0.09 0.00 0.00 0.00 173.10 175.19 3l1i h ARG 236 N 2.14 0.00 -1.79 2.90 2.43 -0.83 -3.28 114.38 115.95 3l1i h ARG 236 Ca -0.47 0.00 -0.72 0.00 -0.81 0.00 0.00 59.98 57.97 3l1i h ARG 236 Cb 1.18 0.00 -0.30 0.00 -0.42 0.00 0.00 29.97 30.42 3l1i h ARG 236 CO 0.67 0.05 0.68 -0.25 -1.51 0.00 0.00 179.97 179.61 3l1i n ASP 237 N -4.11 6.99 -3.95 -3.80 8.00 -0.29 -4.94 116.55 114.45 3l1i n ASP 237 Ca -0.03 -3.81 -0.10 0.00 0.71 0.00 0.00 54.79 51.56 3l1i n ASP 237 Cb 0.14 -0.93 -0.11 0.00 -0.02 0.00 0.00 41.12 40.19 3l1i n ASP 237 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 3l1i s GLU 238 N -3.95 0.27 0.56 -1.24 -1.05 -1.24 -3.89 118.70 108.17 3l1i s GLU 238 Ca 0.52 -0.49 0.37 0.00 -0.15 0.00 0.00 54.97 55.23 3l1i s GLU 238 Cb 0.44 0.10 1.83 0.00 -0.44 0.00 0.00 34.13 36.06 3l1i s GLU 238 CO -0.33 -0.05 2.12 -0.39 0.95 0.00 0.00 175.26 177.57 3l1i h VAL 239 N 4.71 0.00 -0.36 1.83 -1.51 -1.79 -2.17 116.25 116.96 3l1i h VAL 239 Ca -0.31 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 64.96 3l1i h VAL 239 Cb 1.21 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 31.51 3l1i h VAL 239 CO 0.43 0.00 0.00 0.18 -1.23 0.00 0.00 177.57 176.95 3l1i n LEU 240 N -2.95 3.05 -0.11 4.19 4.77 -1.26 -3.57 117.00 121.12 3l1i n LEU 240 Ca -0.01 -1.54 -0.05 0.00 -0.03 0.00 0.00 56.01 54.38 3l1i n LEU 240 Cb 0.16 -0.47 0.01 0.00 -2.33 0.00 0.00 43.42 40.79 3l1i n LEU 240 CO 0.22 0.50 0.79 0.25 -1.33 0.00 0.00 177.39 177.81 3l1i h LEU 241 N 2.30 -0.37 -1.10 2.23 6.46 -1.67 -2.45 115.31 120.71 3l1i h LEU 241 Ca 0.00 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 3l1i h LEU 241 Cb 1.01 0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 41.13 3l1i h LEU 241 CO 0.16 -0.13 0.54 0.44 -0.62 0.00 0.00 178.44 178.83 3l1i h ASP 242 N -0.01 1.01 -0.82 1.25 3.32 -1.86 -0.97 116.42 118.35 3l1i h ASP 242 Ca 0.18 -0.05 0.12 0.00 0.02 0.00 0.00 57.03 57.30 3l1i h ASP 242 Cb 0.28 -0.25 -0.08 0.00 0.22 0.00 0.00 39.33 39.50 3l1i h ASP 242 CO -0.39 0.76 0.44 0.44 -1.72 0.00 0.00 179.24 178.76 3l1i h ASP 243 N 1.18 0.58 -0.11 6.45 3.45 -1.75 0.27 116.42 126.48 3l1i h ASP 243 Ca 0.31 0.07 -0.14 0.00 0.43 0.00 0.00 57.03 57.70 3l1i h ASP 243 Cb -0.08 -0.03 0.01 0.00 -0.56 0.00 0.00 39.33 38.66 3l1i h ASP 243 CO -0.06 0.30 -0.49 0.28 -1.57 0.00 0.00 179.24 177.70 3l1i h SER 244 N 0.69 0.63 -0.47 6.45 0.02 -1.28 0.64 113.55 120.23 3l1i h SER 244 Ca 0.42 -0.63 -0.02 0.00 -0.84 0.00 0.00 61.79 60.72 3l1i h SER 244 Cb 0.48 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 3l1i h SER 244 CO -0.30 1.15 0.21 0.40 -1.14 0.00 0.00 176.83 177.16 3l1i h ILE 245 N 0.14 1.19 -0.25 3.27 2.04 -0.34 -2.09 117.51 121.47 3l1i h ILE 245 Ca -0.03 -0.57 -0.13 0.00 1.00 0.00 0.00 64.86 65.13 3l1i h ILE 245 Cb 1.13 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 3l1i h ILE 245 CO 0.10 0.22 -0.39 0.11 0.00 0.00 0.00 178.15 178.19 3l1i h LYS 246 N 0.62 0.59 -0.79 2.37 1.57 -0.50 -2.46 116.57 117.97 3l1i h LYS 246 Ca 0.16 -0.30 0.05 0.00 -1.87 0.00 0.00 60.65 58.70 3l1i h LYS 246 Cb 0.14 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.41 3l1i h LYS 246 CO -0.02 0.88 0.52 1.25 -0.57 0.00 0.00 179.45 181.52 3l1i h LEU 247 N 0.49 0.78 0.01 2.94 5.85 -0.66 -0.63 115.31 124.09 3l1i h LEU 247 Ca 0.04 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 3l1i h LEU 247 Cb 0.90 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.76 3l1i h LEU 247 CO 0.08 0.52 -0.00 -0.78 -0.34 0.00 0.00 178.44 177.91 3l1i h ASP 248 N 0.90 -0.01 -0.50 1.25 3.58 -0.93 -1.33 116.42 119.38 3l1i h ASP 248 Ca 0.33 -0.46 0.02 0.00 0.42 0.00 0.00 57.03 57.34 3l1i h ASP 248 Cb 0.17 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.19 3l1i h ASP 248 CO -0.11 0.46 0.30 0.00 -2.88 0.00 0.00 179.24 177.01 3l1i h ALA 249 N 0.51 0.64 -0.25 -0.78 0.00 -1.34 0.70 119.26 118.75 3l1i h ALA 249 Ca -0.00 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.96 3l1i h ALA 249 Cb 0.47 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 3l1i h ALA 249 CO 0.00 0.01 -0.30 -0.22 0.00 0.00 0.00 179.25 178.74 3l1i h LYS 250 N 0.61 -0.30 -0.09 0.00 1.63 -1.07 -0.43 116.57 116.92 3l1i h LYS 250 Ca 0.20 0.02 0.02 0.00 -0.85 0.00 0.00 60.65 60.04 3l1i h LYS 250 Cb 0.01 0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.68 3l1i h LYS 250 CO -0.08 -0.20 -0.05 0.00 -3.45 0.00 0.00 179.45 175.67 3l1i h ALA 251 N 0.63 0.03 -0.26 5.00 0.00 -0.88 0.19 119.26 123.96 3l1i h ALA 251 Ca 0.13 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.12 3l1i h ALA 251 Cb 0.52 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 3l1i h ALA 251 CO -0.43 -0.51 0.01 0.87 0.00 0.00 0.00 179.25 179.19 3l1i h LYS 252 N -0.04 0.08 -0.42 0.00 1.57 -0.71 0.17 116.57 117.23 3l1i h LYS 252 Ca 0.05 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.87 3l1i h LYS 252 Cb 0.12 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 3l1i h LYS 252 CO -0.12 0.06 0.18 0.00 -0.57 0.00 0.00 179.45 179.00 3l1i h ALA 253 N 1.22 0.52 0.00 3.86 0.00 -0.67 -1.56 119.26 122.63 3l1i h ALA 253 Ca 0.12 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3l1i h ALA 253 Cb 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3l1i h ALA 253 CO -0.21 -0.19 0.00 -0.25 0.00 0.00 0.00 179.25 178.61 3l1i n ASP 254 N -4.96 0.00 0.00 0.00 8.00 0.61 -4.87 116.55 115.34 3l1i n ASP 254 Ca 0.03 -1.37 0.00 0.00 0.71 0.00 0.00 54.79 54.16 3l1i n ASP 254 Cb 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 3l1i n ASP 254 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3l1i n GLY 255 N 0.40 0.47 3.82 0.44 0.00 -0.38 -3.97 105.19 105.97 3l1i n GLY 255 Ca 0.06 -0.84 -0.38 0.00 0.00 0.00 0.00 46.02 44.87 3l1i n GLY 255 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3l1i s VAL 256 N -2.00 4.79 -0.65 1.61 1.01 0.47 -4.85 120.40 120.78 3l1i s VAL 256 Ca 0.00 1.11 -0.27 0.00 0.00 0.00 0.00 61.98 62.82 3l1i s VAL 256 Cb 0.00 -3.85 0.01 0.00 0.00 0.00 0.00 36.38 32.55 3l1i s VAL 256 CO 0.00 0.49 1.45 -0.75 0.00 0.00 0.00 175.10 176.29 3l1i s LYS 257 N -1.28 3.11 -0.11 2.72 2.47 -1.26 -4.09 119.74 121.29 3l1i s LYS 257 Ca 0.30 0.18 0.01 0.00 -1.56 0.00 0.00 55.97 54.90 3l1i s LYS 257 Cb -0.18 -4.21 -0.02 0.00 -1.46 0.00 0.00 37.83 31.97 3l1i s LYS 257 CO 0.18 -2.20 -0.15 0.45 0.16 0.00 0.00 175.35 173.79 3l1i s SER 258 N 4.91 3.91 -0.16 1.43 0.15 -1.26 -0.39 113.70 122.30 3l1i s SER 258 Ca 0.48 -0.33 0.02 0.00 0.70 0.00 0.00 55.95 56.81 3l1i s SER 258 Cb -0.10 -1.46 0.02 0.00 -1.71 0.00 0.00 66.02 62.77 3l1i s SER 258 CO 0.20 0.19 -0.20 -0.89 1.20 0.00 0.00 173.24 173.74 3l1i s THR 259 N 0.17 1.97 -0.10 6.45 2.01 0.12 -4.97 115.64 121.28 3l1i s THR 259 Ca -0.08 -0.90 0.01 0.00 0.31 0.00 0.00 61.69 61.03 3l1i s THR 259 Cb -0.15 -1.77 -0.02 0.00 0.01 0.00 0.00 72.50 70.57 3l1i s THR 259 CO 0.05 0.53 -0.13 -0.22 -0.69 0.00 0.00 174.62 174.16 3l1i s LEU 260 N 1.11 2.74 -0.19 4.42 0.20 -1.26 -0.72 118.68 124.97 3l1i s LEU 260 Ca -0.00 -0.27 0.00 0.00 0.69 0.00 0.00 54.13 54.55 3l1i s LEU 260 Cb -0.14 -1.60 0.04 0.00 -0.43 0.00 0.00 46.19 44.07 3l1i s LEU 260 CO -0.08 0.23 -0.09 -1.61 -0.29 0.00 0.00 176.35 174.52 3l1i s GLU 261 N -0.05 1.85 -0.35 1.98 2.02 -0.35 -4.96 118.70 118.84 3l1i s GLU 261 Ca -0.03 -0.75 -0.22 0.00 0.02 0.00 0.00 54.97 53.99 3l1i s GLU 261 Cb -0.14 -2.30 0.01 0.00 0.10 0.00 0.00 34.13 31.79 3l1i s GLU 261 CO 0.04 -0.43 0.74 0.42 0.02 0.00 0.00 175.26 176.05 3l1i s ILE 262 N 1.46 4.79 -0.20 -1.63 1.01 -1.26 -2.92 121.20 122.45 3l1i s ILE 262 Ca -0.01 0.83 -0.21 0.00 0.00 0.00 0.00 60.65 61.26 3l1i s ILE 262 Cb -0.16 -4.16 -0.02 0.00 0.01 0.00 0.00 42.46 38.13 3l1i s ILE 262 CO -0.08 -0.37 0.66 0.26 0.00 0.00 0.00 174.94 175.41 3l1i s TRP 263 N 2.97 3.37 0.52 3.97 0.52 -0.22 -4.82 118.94 125.25 3l1i s TRP 263 Ca 0.29 0.96 -0.21 0.00 0.02 0.00 0.00 56.10 57.16 3l1i s TRP 263 Cb -0.14 -2.84 -0.06 0.00 -1.15 0.00 0.00 33.47 29.29 3l1i s TRP 263 CO 0.16 -0.21 1.22 -0.51 0.02 0.00 0.00 176.95 177.63 3l1i s ASP 264 N 1.24 5.65 0.00 2.95 -0.00 -1.26 -0.57 116.67 124.67 3l1i s ASP 264 Ca 0.30 2.43 0.00 0.00 -0.00 0.00 0.00 52.55 55.28 3l1i s ASP 264 Cb -0.16 -2.61 0.00 0.00 -0.00 0.00 0.00 42.92 40.15 3l1i s ASP 264 CO 0.10 -1.28 0.00 0.47 -0.00 0.00 0.00 175.17 174.46 3l1i n ASP 265 N -0.98 0.00 -4.89 0.27 9.92 -1.26 -4.80 116.55 114.81 3l1i n ASP 265 Ca 0.10 0.00 -0.29 0.00 -0.53 0.00 0.00 54.79 54.07 3l1i n ASP 265 Cb 0.48 -1.61 -0.03 0.00 -0.64 0.00 0.00 41.12 39.32 3l1i n ASP 265 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 3l1i s MET 266 N -0.55 3.72 0.43 -1.24 -1.94 -1.08 -4.74 119.30 113.89 3l1i s MET 266 Ca 0.00 0.28 0.07 0.00 -1.71 0.00 0.00 55.69 54.33 3l1i s MET 266 Cb 0.00 -2.49 -0.02 0.00 2.01 0.00 0.00 34.83 34.33 3l1i s MET 266 CO 0.00 0.06 0.35 0.96 -0.01 0.00 0.00 175.02 176.38 3l1i s ILE 267 N -2.26 2.53 -0.63 2.53 -4.36 -1.26 -1.14 121.20 116.60 3l1i s ILE 267 Ca 0.48 -1.40 -0.38 0.00 -0.26 0.00 0.00 60.65 59.09 3l1i s ILE 267 Cb -0.10 -2.93 -0.19 0.00 1.25 0.00 0.00 42.46 40.49 3l1i s ILE 267 CO 0.31 0.00 2.33 1.57 0.24 0.00 0.00 174.94 179.39 3l1i n HIS 268 N -1.52 1.04 -3.44 1.37 -0.00 -1.26 -2.17 115.22 109.23 3l1i n HIS 268 Ca 0.03 0.57 -0.17 0.00 -0.00 0.00 0.00 57.72 58.14 3l1i n HIS 268 Cb 0.62 -2.36 0.09 0.00 -0.00 0.00 0.00 29.99 28.34 3l1i n HIS 268 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3l1i n VAL 269 N 6.94 -5.87 0.29 3.57 0.31 -1.26 -4.85 118.33 117.47 3l1i n VAL 269 Ca 0.56 -0.48 0.16 0.00 -0.01 0.00 0.00 64.34 64.57 3l1i n VAL 269 Cb 0.03 -4.94 0.91 0.00 -0.91 0.00 0.00 33.84 28.93 3l1i n VAL 269 CO 0.00 0.00 0.00 4.11 -1.32 0.00 0.00 176.83 179.62 3l1i h TRP 270 N -1.92 0.00 -1.00 3.52 0.09 -1.84 0.82 115.95 115.62 3l1i h TRP 270 Ca -0.59 0.00 0.32 0.00 0.09 0.00 0.00 58.89 58.71 3l1i h TRP 270 Cb 1.34 0.00 -0.15 0.00 0.08 0.00 0.00 29.16 30.43 3l1i h TRP 270 CO 0.44 0.04 0.55 0.45 0.09 0.00 0.00 178.44 180.01 3l1i h HIS 271 N 0.00 0.89 0.00 0.12 -0.00 -1.87 0.03 115.15 114.32 3l1i h HIS 271 Ca -0.00 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 3l1i h HIS 271 Cb 0.17 -0.23 0.00 0.00 -0.00 0.00 0.00 27.41 27.36 3l1i h HIS 271 CO 0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 177.93 177.74 3l1i n ALA 272 N -2.32 1.55 -0.80 2.45 0.00 0.28 -0.98 120.51 120.70 3l1i n ALA 272 Ca 0.31 0.11 0.08 0.00 0.00 0.00 0.00 53.44 53.94 3l1i n ALA 272 Cb 0.98 -1.38 0.39 0.00 0.00 0.00 0.00 19.45 19.44 3l1i n ALA 272 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3l1i n PHE 273 N -2.25 1.87 -0.48 0.00 3.01 -0.00 -4.67 117.46 114.94 3l1i n PHE 273 Ca 0.01 -0.68 0.43 0.00 1.01 0.00 0.00 57.45 58.22 3l1i n PHE 273 Cb 0.20 -0.41 0.76 0.00 -0.01 0.00 0.00 39.48 40.01 3l1i n PHE 273 CO 0.00 0.00 0.00 1.12 1.01 0.00 0.00 176.76 178.89 3l1i h HIS 274 N 4.08 0.00 0.00 1.38 2.07 -1.12 -1.53 115.15 120.04 3l1i h HIS 274 Ca 0.00 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.45 3l1i h HIS 274 Cb 1.79 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.76 3l1i h HIS 274 CO 0.98 0.00 -0.32 -1.35 -3.07 0.00 0.00 177.93 174.17 3l1i h PRO 275 N 0.00 0.00 0.00 5.12 0.11 -1.87 -3.26 132.00 132.10 3l1i h PRO 275 Ca 0.72 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.83 3l1i h PRO 275 Cb 3.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 34.13 3l1i h PRO 275 CO -0.01 0.32 -0.10 0.00 -0.21 0.00 0.00 178.00 178.01 3l1i n MET 276 N -4.07 1.33 -3.87 1.05 0.00 -0.73 -4.98 117.12 105.86 3l1i n MET 276 Ca -0.02 -1.72 -0.28 0.00 0.00 0.00 0.00 57.70 55.68 3l1i n MET 276 Cb 0.37 -1.04 -0.16 0.00 0.00 0.00 0.00 33.22 32.39 3l1i n MET 276 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 3l1i s LEU 277 N -1.45 1.75 0.34 3.17 2.96 -0.66 -4.86 118.68 119.93 3l1i s LEU 277 Ca 0.13 -0.81 0.07 0.00 -0.22 0.00 0.00 54.13 53.30 3l1i s LEU 277 Cb 0.11 -0.91 0.77 0.00 0.50 0.00 0.00 46.19 46.66 3l1i s LEU 277 CO 0.01 -0.22 1.85 -0.65 -1.32 0.00 0.00 176.35 176.02 3l1i h PRO 278 N 8.11 0.73 0.00 0.98 0.11 -1.90 -1.55 132.00 138.47 3l1i h PRO 278 Ca -0.21 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.82 3l1i h PRO 278 Cb 1.10 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 3l1i h PRO 278 CO 0.39 0.48 -0.19 0.93 -0.21 0.00 0.00 178.00 179.40 3l1i h GLU 279 N 0.75 0.00 0.38 1.05 3.07 -1.95 0.13 114.58 118.02 3l1i h GLU 279 Ca 0.47 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.31 3l1i h GLU 279 Cb 0.71 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.63 3l1i h GLU 279 CO -0.23 0.19 -0.18 0.78 -1.40 0.00 0.00 179.01 178.16 3l1i h GLY 280 N 1.29 -0.54 0.80 -3.84 0.00 -1.48 -0.82 103.07 98.48 3l1i h GLY 280 Ca -0.00 0.20 0.04 0.00 0.00 0.00 0.00 47.33 47.57 3l1i h GLY 280 CO 0.03 -0.20 0.44 0.50 0.00 0.00 0.00 176.54 177.31 3l1i h LYS 281 N -0.82 0.82 -0.83 4.80 1.57 -1.23 -1.53 116.57 119.35 3l1i h LYS 281 Ca -0.05 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3l1i h LYS 281 Cb 0.53 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 3l1i h LYS 281 CO 0.09 0.54 0.48 1.96 -0.57 0.00 0.00 179.45 181.95 3l1i h GLN 282 N 0.84 1.14 -0.07 3.15 4.20 -0.84 0.19 115.11 123.73 3l1i h GLN 282 Ca 0.30 -0.12 -0.19 0.00 0.06 0.00 0.00 58.65 58.71 3l1i h GLN 282 Cb 0.08 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 27.63 3l1i h GLN 282 CO -0.14 0.82 -0.75 0.00 -0.67 0.00 0.00 178.83 178.09 3l1i h ALA 283 N 1.26 0.58 0.01 3.87 0.00 -0.88 -1.59 119.26 122.50 3l1i h ALA 283 Ca 0.30 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 3l1i h ALA 283 Cb -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3l1i h ALA 283 CO -0.05 0.77 -0.00 0.82 0.00 0.00 0.00 179.25 180.79 3l1i h ILE 284 N 0.26 1.26 -0.59 0.00 2.04 -0.91 -1.03 117.51 118.55 3l1i h ILE 284 Ca -0.03 -0.81 0.12 0.00 1.00 0.00 0.00 64.86 65.13 3l1i h ILE 284 Cb 1.33 1.81 -0.10 0.00 -0.74 0.00 0.00 36.82 39.12 3l1i h ILE 284 CO 0.13 0.21 -0.05 0.58 0.00 0.00 0.00 178.15 179.02 3l1i h VAL 285 N -0.36 0.48 -0.90 1.67 2.07 -0.49 -1.04 116.25 117.68 3l1i h VAL 285 Ca -0.00 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3l1i h VAL 285 Cb 0.35 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 3l1i h VAL 285 CO 0.00 0.01 0.58 -0.09 0.02 0.00 0.00 177.57 178.09 3l1i h ARG 286 N 0.07 1.21 -0.47 1.57 9.65 -1.16 0.04 114.38 125.29 3l1i h ARG 286 Ca 0.30 -0.09 0.05 0.00 -1.10 0.00 0.00 59.98 59.14 3l1i h ARG 286 Cb 0.47 -0.26 -0.05 0.00 -1.39 0.00 0.00 29.97 28.74 3l1i h ARG 286 CO -0.54 0.82 0.20 0.28 2.80 0.00 0.00 179.97 183.54 3l1i h VAL 287 N 1.24 0.91 -0.35 0.20 2.07 0.06 -0.76 116.25 119.61 3l1i h VAL 287 Ca 0.33 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.73 3l1i h VAL 287 Cb -0.10 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 3l1i h VAL 287 CO -0.07 0.07 0.19 1.23 0.02 0.00 0.00 177.57 179.02 3l1i h GLY 288 N 0.40 0.48 0.83 2.17 0.00 -0.29 -1.13 103.07 105.53 3l1i h GLY 288 Ca 0.21 -0.14 0.02 0.00 0.00 0.00 0.00 47.33 47.42 3l1i h GLY 288 CO -0.18 0.12 0.03 0.83 0.00 0.00 0.00 176.54 177.33 3l1i h GLU 289 N 0.39 0.08 -0.49 4.80 5.08 -0.67 -0.55 114.58 123.23 3l1i h GLU 289 Ca 0.14 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.53 3l1i h GLU 289 Cb 0.03 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 3l1i h GLU 289 CO -0.08 0.05 0.27 0.35 -1.00 0.00 0.00 179.01 178.60 3l1i h PHE 290 N 0.08 0.50 -0.78 4.33 3.04 -1.07 0.32 116.94 123.37 3l1i h PHE 290 Ca 0.07 0.02 0.06 0.00 3.98 0.00 0.00 57.97 62.09 3l1i h PHE 290 Cb 0.06 -0.16 -0.06 0.00 2.56 0.00 0.00 35.95 38.36 3l1i h PHE 290 CO -0.13 0.27 0.47 0.52 -2.02 0.00 0.00 178.31 177.43 3l1i h MET 291 N 0.54 0.84 -0.28 1.11 2.86 -0.87 -1.83 114.93 117.30 3l1i h MET 291 Ca 0.20 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.72 3l1i h MET 291 Cb 0.06 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 3l1i h MET 291 CO -0.11 0.56 -0.09 0.00 1.06 0.00 0.00 176.91 178.33 3l1i h ARG 292 N 0.86 0.55 -0.62 1.72 3.08 -0.24 -2.21 114.38 117.53 3l1i h ARG 292 Ca 0.34 -0.22 0.13 0.00 0.07 0.00 0.00 59.98 60.30 3l1i h ARG 292 Cb 0.17 -0.03 -0.10 0.00 0.08 0.00 0.00 29.97 30.08 3l1i h ARG 292 CO -0.17 0.77 -0.00 0.93 -1.07 0.00 0.00 179.97 180.43 3l1i h GLU 293 N 0.31 0.11 0.00 0.04 5.08 -0.33 -0.67 114.58 119.13 3l1i h GLU 293 Ca 0.07 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 3l1i h GLU 293 Cb 0.58 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 3l1i h GLU 293 CO 0.03 0.07 -0.31 1.96 -1.00 0.00 0.00 179.01 179.77 3l1i h GLN 294 N 0.12 0.00 0.00 2.33 1.08 -1.14 -2.17 115.11 115.33 3l1i h GLN 294 Ca 0.32 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.37 3l1i h GLN 294 Cb 0.52 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.93 3l1i h GLN 294 CO -0.53 0.31 -0.80 -1.49 -0.95 0.00 0.00 178.83 175.38 3l1i h TRP 295 N 0.00 0.00 -0.01 2.96 6.55 -0.71 -3.29 115.95 121.44 3l1i h TRP 295 Ca -0.00 0.00 -0.24 0.00 0.95 0.00 0.00 58.89 59.60 3l1i h TRP 295 Cb 0.82 0.00 0.01 0.00 -0.86 0.00 0.00 29.16 29.13 3l1i h TRP 295 CO 0.00 0.68 -0.96 0.00 -1.05 0.00 0.00 178.44 177.11 3l1i h ALA 296 N 1.32 0.29 0.00 1.49 0.00 -0.66 -3.50 119.26 118.20 3l1i h ALA 296 Ca -0.03 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.18 3l1i h ALA 296 Cb 1.55 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.34 3l1i h ALA 296 CO 0.08 0.76 0.00 0.00 0.00 0.00 0.00 179.25 180.09