#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a1f s GLN 3 N 0.00 3.36 0.23 4.33 -1.52 -1.26 -4.92 119.66 119.89 2a1f s GLN 3 Ca 0.00 0.08 -0.30 0.00 -1.95 0.00 0.00 55.36 53.19 2a1f s GLN 3 Cb 0.00 -2.38 -0.09 0.00 -0.22 0.00 0.00 33.01 30.32 2a1f s GLN 3 CO 0.00 -0.31 1.22 -1.25 -0.25 0.00 0.00 175.29 174.71 2a1f s PRO 4 N -4.77 4.47 0.00 2.91 0.04 -1.26 -4.34 135.00 132.05 2a1f s PRO 4 Ca 0.49 1.97 0.27 0.00 0.04 0.00 0.00 61.00 63.76 2a1f s PRO 4 Cb -0.10 -3.19 0.81 0.00 0.04 0.00 0.00 34.50 32.06 2a1f s PRO 4 CO 0.44 -0.08 1.60 0.44 0.04 0.00 0.00 177.00 179.44 2a1f n ILE 5 N 1.95 0.00 -4.99 0.56 -5.35 -0.10 -4.89 119.36 106.54 2a1f n ILE 5 Ca 0.03 -0.24 -0.30 0.00 -0.27 0.00 0.00 62.75 61.96 2a1f n ILE 5 Cb 0.44 0.62 -0.15 0.00 -1.74 0.00 0.00 39.64 38.81 2a1f n ILE 5 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 2a1f s TYR 6 N -2.18 2.36 -0.08 4.28 4.12 -1.26 -5.04 117.35 119.56 2a1f s TYR 6 Ca 0.32 -0.40 -0.08 0.00 0.02 0.00 0.00 57.07 56.93 2a1f s TYR 6 Cb 0.20 -1.43 -0.28 0.00 -1.52 0.00 0.00 41.96 38.93 2a1f s TYR 6 CO 0.40 0.10 0.53 0.87 0.02 0.00 0.00 175.55 177.47 2a1f h LYS 7 N 4.97 0.32 -3.62 -0.62 1.57 -1.94 -3.45 116.57 113.81 2a1f h LYS 7 Ca -0.46 -0.55 -0.35 0.00 -1.87 0.00 0.00 60.65 57.42 2a1f h LYS 7 Cb 1.14 0.21 -0.35 0.00 0.08 0.00 0.00 32.23 33.30 2a1f h LYS 7 CO 0.45 1.25 -0.75 0.50 -0.57 0.00 0.00 179.45 180.34 2a1f s ARG 8 N -2.57 0.23 0.21 3.15 3.52 -1.26 -1.01 118.95 121.21 2a1f s ARG 8 Ca -0.19 0.14 0.10 0.00 -0.13 0.00 0.00 55.73 55.66 2a1f s ARG 8 Cb 0.06 -0.51 -0.05 0.00 -1.56 0.00 0.00 34.95 32.89 2a1f s ARG 8 CO 0.81 -0.19 -0.19 0.96 -0.81 0.00 0.00 175.30 175.88 2a1f s ILE 9 N 1.32 2.10 -0.23 4.11 -4.36 -0.40 0.41 121.20 124.16 2a1f s ILE 9 Ca -0.06 -2.12 0.02 0.00 -0.26 0.00 0.00 60.65 58.23 2a1f s ILE 9 Cb -0.13 -2.06 0.05 0.00 1.25 0.00 0.00 42.46 41.57 2a1f s ILE 9 CO -0.02 -0.34 -0.10 -0.22 0.24 0.00 0.00 174.94 174.49 2a1f s LEU 10 N -3.00 2.83 -0.30 0.37 0.20 -0.87 -1.73 118.68 116.19 2a1f s LEU 10 Ca 0.22 -1.15 -0.20 0.00 0.69 0.00 0.00 54.13 53.69 2a1f s LEU 10 Cb -0.05 -1.38 -0.01 0.00 -0.43 0.00 0.00 46.19 44.32 2a1f s LEU 10 CO 0.10 -0.17 0.60 -0.22 -0.29 0.00 0.00 176.35 176.37 2a1f s LEU 11 N 1.26 4.15 -0.27 -0.68 2.96 -0.11 -0.74 118.68 125.25 2a1f s LEU 11 Ca -0.05 0.40 -0.13 0.00 -0.22 0.00 0.00 54.13 54.13 2a1f s LEU 11 Cb -0.18 -2.77 -0.04 0.00 0.50 0.00 0.00 46.19 43.69 2a1f s LEU 11 CO -0.07 -0.46 0.29 -0.75 -1.32 0.00 0.00 176.35 174.05 2a1f s LYS 12 N 2.55 4.01 -0.07 1.98 2.36 0.13 -0.79 119.74 129.90 2a1f s LYS 12 Ca 0.24 -0.10 0.04 0.00 -2.55 0.00 0.00 55.97 53.60 2a1f s LYS 12 Cb -0.15 -3.64 -0.02 0.00 -1.05 0.00 0.00 37.83 32.97 2a1f s LYS 12 CO 0.12 -0.20 -0.20 -0.51 1.55 0.00 0.00 175.35 176.11 2a1f s LEU 13 N 1.83 2.38 0.59 5.43 1.43 -0.49 -1.49 118.68 128.35 2a1f s LEU 13 Ca 0.12 -0.39 -0.18 0.00 -1.03 0.00 0.00 54.13 52.65 2a1f s LEU 13 Cb -0.16 -1.47 -0.03 0.00 0.03 0.00 0.00 46.19 44.56 2a1f s LEU 13 CO 0.10 0.25 1.13 -0.94 0.23 0.00 0.00 176.35 177.12 2a1f s SER 14 N -0.18 5.43 0.49 2.29 1.04 -1.26 -1.50 113.70 120.01 2a1f s SER 14 Ca -0.02 2.13 0.17 0.00 0.48 0.00 0.00 55.95 58.72 2a1f s SER 14 Cb -0.14 -2.57 1.20 0.00 0.10 0.00 0.00 66.02 64.62 2a1f s SER 14 CO 0.03 -1.41 2.05 1.23 0.98 0.00 0.00 173.24 176.12 2a1f h GLY 15 N 0.73 0.20 2.00 7.32 0.00 -1.92 -1.54 103.07 109.87 2a1f h GLY 15 Ca -0.49 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 46.78 2a1f h GLY 15 CO 0.56 0.05 0.00 1.18 0.00 0.00 0.00 176.54 178.32 2a1f n GLU 16 N -4.47 0.18 0.27 4.80 4.71 -1.26 -1.67 120.64 123.21 2a1f n GLU 16 Ca 0.05 0.53 0.17 0.00 -0.01 0.00 0.00 57.16 57.90 2a1f n GLU 16 Cb 0.31 -1.93 0.69 0.00 -1.01 0.00 0.00 31.44 29.50 2a1f n GLU 16 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2a1f h ALA 17 N 2.13 1.00 0.00 0.62 0.00 -1.65 -2.94 119.26 118.42 2a1f h ALA 17 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2a1f h ALA 17 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2a1f h ALA 17 CO 0.00 0.00 -0.71 1.28 0.00 0.00 0.00 179.25 179.82 2a1f n LEU 18 N -3.05 0.64 -4.76 0.00 4.77 -0.67 -4.89 117.00 109.03 2a1f n LEU 18 Ca 0.01 -0.10 -0.39 0.00 -0.03 0.00 0.00 56.01 55.50 2a1f n LEU 18 Cb 0.29 -0.16 -0.05 0.00 -2.33 0.00 0.00 43.42 41.18 2a1f n LEU 18 CO 0.27 0.13 0.75 -1.58 -1.33 0.00 0.00 177.39 175.62 2a1f s GLN 19 N -3.05 4.55 0.71 3.23 0.74 -1.11 -0.43 119.66 124.30 2a1f s GLN 19 Ca 0.09 1.67 -0.10 0.00 0.05 0.00 0.00 55.36 57.06 2a1f s GLN 19 Cb 0.16 -3.03 0.03 0.00 1.10 0.00 0.00 33.01 31.27 2a1f s GLN 19 CO 0.76 0.17 1.08 0.20 -0.55 0.00 0.00 175.29 176.95 2a1f s GLY 20 N -1.12 1.62 0.45 2.59 0.00 -1.25 -4.78 107.32 104.83 2a1f s GLY 20 Ca 0.47 -0.48 0.12 0.00 0.00 0.00 0.00 44.72 44.83 2a1f s GLY 20 CO 0.36 -0.10 2.07 1.05 0.00 0.00 0.00 173.10 176.48 2a1f h GLU 21 N -0.66 0.32 -0.42 2.90 -0.00 -1.96 0.22 114.58 114.98 2a1f h GLU 21 Ca -0.45 -0.02 0.12 0.00 -0.00 0.00 0.00 59.36 59.01 2a1f h GLU 21 Cb 1.27 -0.07 -0.02 0.00 -0.00 0.00 0.00 28.75 29.93 2a1f h GLU 21 CO 0.64 0.21 0.64 -0.44 -0.00 0.00 0.00 179.01 180.06 2a1f h ASP 22 N 0.33 0.00 0.00 3.06 5.19 -2.03 -3.45 116.42 119.52 2a1f h ASP 22 Ca 0.13 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.54 2a1f h ASP 22 Cb 0.10 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.61 2a1f h ASP 22 CO -0.03 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.70 2a1f n GLY 23 N -1.48 0.87 3.52 2.75 0.00 0.76 -5.07 105.19 106.54 2a1f n GLY 23 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 2a1f n GLY 23 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2a1f s LEU 24 N 0.00 0.47 0.00 0.99 2.96 -1.26 -4.93 118.68 116.91 2a1f s LEU 24 Ca 0.00 -1.00 0.00 0.00 -0.22 0.00 0.00 54.13 52.91 2a1f s LEU 24 Cb 0.00 1.53 0.00 0.00 0.50 0.00 0.00 46.19 48.22 2a1f s LEU 24 CO 0.00 -1.08 0.00 0.61 -1.32 0.00 0.00 176.35 174.56 2a1f n GLY 25 N -0.36 1.97 3.01 7.98 0.00 -0.79 -3.91 105.19 113.08 2a1f n GLY 25 Ca -0.01 -0.55 -0.28 0.00 0.00 0.00 0.00 46.02 45.18 2a1f n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2a1f s ILE 26 N 0.00 1.34 -0.38 -0.61 1.01 -1.26 -3.81 121.20 117.49 2a1f s ILE 26 Ca 0.00 -0.53 -0.18 0.00 0.00 0.00 0.00 60.65 59.94 2a1f s ILE 26 Cb 0.00 -1.25 0.01 0.00 0.01 0.00 0.00 42.46 41.22 2a1f s ILE 26 CO 0.00 0.41 0.52 -0.62 0.00 0.00 0.00 174.94 175.26 2a1f s ASP 27 N 1.18 6.30 0.53 3.58 2.15 0.43 -4.87 116.67 125.96 2a1f s ASP 27 Ca -0.03 -0.19 0.23 0.00 0.43 0.00 0.00 52.55 52.99 2a1f s ASP 27 Cb -0.14 -2.27 1.47 0.00 -0.30 0.00 0.00 42.92 41.68 2a1f s ASP 27 CO -0.04 -0.55 2.15 -0.65 -0.17 0.00 0.00 175.17 175.91 2a1f h PRO 28 N 8.58 0.00 -0.21 4.34 0.11 -1.99 -1.20 132.00 141.64 2a1f h PRO 28 Ca -0.27 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.73 2a1f h PRO 28 Cb 1.12 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 2a1f h PRO 28 CO 0.80 0.06 -0.29 0.00 -0.21 0.00 0.00 178.00 178.36 2a1f h ALA 29 N 1.94 0.31 -0.48 -0.75 0.00 -1.96 -1.00 119.26 117.33 2a1f h ALA 29 Ca -0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 2a1f h ALA 29 Cb 0.13 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2a1f h ALA 29 CO 0.01 0.32 0.16 0.82 0.00 0.00 0.00 179.25 180.55 2a1f h ILE 30 N 0.23 1.22 -0.45 0.00 2.04 -1.77 0.37 117.51 119.16 2a1f h ILE 30 Ca 0.02 -0.73 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 2a1f h ILE 30 Cb 0.86 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 2a1f h ILE 30 CO 0.07 0.27 0.17 0.25 0.00 0.00 0.00 178.15 178.91 2a1f h LEU 31 N 0.63 0.62 -0.91 1.44 5.85 -1.24 -0.72 115.31 120.99 2a1f h LEU 31 Ca 0.15 -0.17 -0.10 0.00 0.84 0.00 0.00 57.88 58.60 2a1f h LEU 31 Cb 0.25 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 2a1f h LEU 31 CO -0.01 0.63 -0.33 0.44 -0.34 0.00 0.00 178.44 178.83 2a1f h ASP 32 N 0.58 0.41 -0.48 1.25 3.45 -1.09 -1.92 116.42 118.62 2a1f h ASP 32 Ca 0.15 -0.16 0.00 0.00 0.43 0.00 0.00 57.03 57.45 2a1f h ASP 32 Cb 0.20 -0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 38.84 2a1f h ASP 32 CO -0.01 0.72 0.31 -0.09 -1.57 0.00 0.00 179.24 178.60 2a1f h ARG 33 N 0.35 0.64 -0.80 3.56 1.12 -0.55 -2.46 114.38 116.23 2a1f h ARG 33 Ca 0.04 -0.05 -0.01 0.00 -1.11 0.00 0.00 59.98 58.86 2a1f h ARG 33 Cb 0.75 -0.14 -0.04 0.00 -0.01 0.00 0.00 29.97 30.53 2a1f h ARG 33 CO 0.06 0.44 0.48 0.52 -3.11 0.00 0.00 179.97 178.36 2a1f h MET 34 N 0.65 1.09 -0.46 0.20 2.86 -0.81 -2.24 114.93 116.23 2a1f h MET 34 Ca 0.18 -0.10 -0.05 0.00 -2.06 0.00 0.00 59.70 57.66 2a1f h MET 34 Cb -0.05 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.36 2a1f h MET 34 CO -0.04 0.77 0.06 0.00 1.06 0.00 0.00 176.91 178.77 2a1f h ALA 35 N 1.41 1.25 -0.25 6.32 0.00 -1.14 -0.43 119.26 126.42 2a1f h ALA 35 Ca 0.29 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 2a1f h ALA 35 Cb -0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2a1f h ALA 35 CO -0.05 0.51 -0.11 0.28 0.00 0.00 0.00 179.25 179.88 2a1f h VAL 36 N 0.69 1.30 -0.58 0.00 2.07 -1.10 -0.36 116.25 118.26 2a1f h VAL 36 Ca 0.15 -1.18 0.02 0.00 0.82 0.00 0.00 66.70 66.51 2a1f h VAL 36 Cb 0.33 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 2a1f h VAL 36 CO 0.01 0.37 0.37 -0.33 0.02 0.00 0.00 177.57 178.00 2a1f h GLU 37 N 0.24 0.72 -0.50 1.57 5.08 -1.20 -0.72 114.58 119.77 2a1f h GLU 37 Ca 0.06 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2a1f h GLU 37 Cb 0.61 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 2a1f h GLU 37 CO 0.03 0.48 0.21 0.82 -1.00 0.00 0.00 179.01 179.55 2a1f h ILE 38 N 0.74 1.21 -0.92 3.13 2.04 -1.07 -2.76 117.51 119.88 2a1f h ILE 38 Ca 0.23 -0.62 0.06 0.00 1.00 0.00 0.00 64.86 65.53 2a1f h ILE 38 Cb -0.03 0.69 -0.06 0.00 -0.74 0.00 0.00 36.82 36.68 2a1f h ILE 38 CO -0.08 0.24 0.60 0.50 0.00 0.00 0.00 178.15 179.41 2a1f h LYS 39 N 0.66 1.03 0.00 2.37 3.64 -0.55 -0.16 116.57 123.55 2a1f h LYS 39 Ca 0.17 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.45 2a1f h LYS 39 Cb 0.17 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2a1f h LYS 39 CO -0.02 0.68 -0.17 1.05 -2.27 0.00 0.00 179.45 178.72 2a1f h GLU 40 N 1.06 0.00 -0.21 1.90 4.11 -0.89 -1.30 114.58 119.24 2a1f h GLU 40 Ca 0.40 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.69 2a1f h GLU 40 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2a1f h GLU 40 CO -0.15 0.17 -0.41 -0.07 0.07 0.00 0.00 179.01 178.62 2a1f h LEU 41 N 0.00 0.73 -0.46 3.06 3.38 -0.80 -2.98 115.31 118.24 2a1f h LEU 41 Ca -0.00 -0.54 -0.00 0.00 0.09 0.00 0.00 57.88 57.42 2a1f h LEU 41 Cb 0.68 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2a1f h LEU 41 CO 0.02 1.14 0.29 0.58 0.09 0.00 0.00 178.44 180.56 2a1f h VAL 42 N 0.35 1.14 0.00 1.22 2.07 -0.92 -2.16 116.25 117.95 2a1f h VAL 42 Ca 0.01 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2a1f h VAL 42 Cb 1.01 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2a1f h VAL 42 CO 0.09 0.14 0.00 -1.84 0.02 0.00 0.00 177.57 175.98 2a1f n GLU 43 N -4.73 0.02 0.00 1.57 0.28 -0.52 -1.39 120.64 115.87 2a1f n GLU 43 Ca 0.02 0.16 0.15 0.00 -0.16 0.00 0.00 57.16 57.33 2a1f n GLU 43 Cb 0.04 -1.50 0.70 0.00 1.43 0.00 0.00 31.44 32.12 2a1f n GLU 43 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 2a1f n MET 44 N -1.48 1.33 -0.57 3.44 2.81 -0.94 -4.94 117.12 116.76 2a1f n MET 44 Ca 0.05 -0.52 0.00 0.00 -1.81 0.00 0.00 57.70 55.42 2a1f n MET 44 Cb 0.22 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.24 2a1f n MET 44 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2a1f n GLY 45 N 1.11 0.78 3.72 3.03 0.00 -0.48 -4.82 105.19 108.53 2a1f n GLY 45 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 2a1f n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a1f s VAL 46 N -3.06 3.95 -0.30 1.61 1.01 -0.86 -4.97 120.40 117.79 2a1f s VAL 46 Ca 0.00 1.47 -0.24 0.00 0.00 0.00 0.00 61.98 63.21 2a1f s VAL 46 Cb 0.00 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.44 2a1f s VAL 46 CO 0.00 0.15 0.80 -1.61 0.00 0.00 0.00 175.10 174.45 2a1f s GLU 47 N 0.64 4.00 -0.17 2.72 2.02 -0.18 -4.16 118.70 123.56 2a1f s GLU 47 Ca 0.56 0.65 -0.03 0.00 0.02 0.00 0.00 54.97 56.17 2a1f s GLU 47 Cb -0.30 -3.72 -0.02 0.00 0.10 0.00 0.00 34.13 30.19 2a1f s GLU 47 CO 0.31 -0.66 -0.04 0.08 0.02 0.00 0.00 175.26 174.96 2a1f s VAL 48 N 2.97 3.71 0.16 2.63 1.01 -1.26 -1.27 120.40 128.35 2a1f s VAL 48 Ca 0.33 -0.41 0.11 0.00 0.00 0.00 0.00 61.98 62.01 2a1f s VAL 48 Cb -0.14 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 2a1f s VAL 48 CO 0.12 0.47 -0.25 -0.94 0.00 0.00 0.00 175.10 174.50 2a1f s SER 49 N 0.65 3.41 -0.04 3.32 1.04 -0.70 -2.02 113.70 119.35 2a1f s SER 49 Ca -0.03 -0.80 0.02 0.00 0.48 0.00 0.00 55.95 55.62 2a1f s SER 49 Cb -0.15 -0.26 0.02 0.00 0.10 0.00 0.00 66.02 65.73 2a1f s SER 49 CO 0.02 0.15 -0.07 -0.69 0.98 0.00 0.00 173.24 173.64 2a1f s VAL 50 N -1.37 0.69 -0.17 5.02 1.01 0.31 -0.94 120.40 124.95 2a1f s VAL 50 Ca 0.18 -0.23 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 2a1f s VAL 50 Cb -0.09 -0.67 -0.01 0.00 0.00 0.00 0.00 36.38 35.61 2a1f s VAL 50 CO 0.08 0.25 -0.11 -0.69 0.00 0.00 0.00 175.10 174.63 2a1f s VAL 51 N 0.71 3.06 -0.05 2.92 1.01 0.03 -0.01 120.40 128.07 2a1f s VAL 51 Ca -0.11 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.27 2a1f s VAL 51 Cb -0.14 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 2a1f s VAL 51 CO 0.01 0.49 -0.12 -0.76 0.00 0.00 0.00 175.10 174.72 2a1f s LEU 52 N 0.82 2.87 0.00 3.92 1.43 -1.23 -1.40 118.68 125.09 2a1f s LEU 52 Ca -0.04 -0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 52.87 2a1f s LEU 52 Cb -0.15 -1.61 0.10 0.00 0.03 0.00 0.00 46.19 44.56 2a1f s LEU 52 CO 0.01 0.34 0.61 0.61 0.23 0.00 0.00 176.35 178.15 2a1f n GLY 53 N 2.20 -0.10 0.00 -3.19 0.00 -0.56 -4.83 105.19 98.70 2a1f n GLY 53 Ca -0.17 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 43.97 2a1f n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a1f n GLY 54 N 0.64 -1.03 0.19 -0.02 0.00 -1.26 -3.82 105.19 99.87 2a1f n GLY 54 Ca 0.09 -0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.24 2a1f n GLY 54 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2a1f h GLY 55 N 0.00 0.00 2.00 -0.02 0.00 -1.88 -0.70 103.07 102.47 2a1f h GLY 55 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2a1f h GLY 55 CO 0.00 0.00 -0.11 3.45 0.00 0.00 0.00 176.54 179.88 2a1f h ASN 56 N 0.00 0.00 0.00 0.19 -1.07 -1.89 -3.35 115.58 109.47 2a1f h ASN 56 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 56.30 56.26 2a1f h ASN 56 Cb 0.27 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.50 2a1f h ASN 56 CO 0.00 0.11 -1.57 0.18 0.07 0.00 0.00 177.43 176.22 2a1f n LEU 57 N -3.29 0.00 -3.55 6.14 4.77 -0.40 -1.89 117.00 118.78 2a1f n LEU 57 Ca -0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 2a1f n LEU 57 Cb 0.34 0.15 -0.11 0.00 -2.33 0.00 0.00 43.42 41.47 2a1f n LEU 57 CO 0.30 0.15 -0.09 0.12 -1.33 0.00 0.00 177.39 176.53 2a1f s PHE 58 N -2.40 -0.58 -0.22 -1.77 5.36 -0.45 -5.02 117.98 112.90 2a1f s PHE 58 Ca -0.04 0.91 -0.03 0.00 -0.96 0.00 0.00 56.93 56.81 2a1f s PHE 58 Cb 0.04 -0.01 0.00 0.00 -0.34 0.00 0.00 43.02 42.71 2a1f s PHE 58 CO 0.39 -0.52 -0.07 1.03 -1.46 0.00 0.00 175.22 174.59 2a1f s ARG 59 N 2.48 3.22 0.00 10.12 1.81 -1.26 -4.14 118.95 131.17 2a1f s ARG 59 Ca 0.05 -0.72 0.31 0.00 -1.72 0.00 0.00 55.73 53.64 2a1f s ARG 59 Cb -0.14 -2.94 1.63 0.00 -0.45 0.00 0.00 34.95 33.05 2a1f s ARG 59 CO -0.12 -0.24 2.08 0.41 -0.68 0.00 0.00 175.30 176.75 2a1f n GLY 60 N 4.75 -0.83 0.42 -3.53 0.00 -1.26 -4.50 105.19 100.24 2a1f n GLY 60 Ca -0.18 -0.25 -0.15 0.00 0.00 0.00 0.00 46.02 45.43 2a1f n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a1f h ALA 61 N 3.97 -0.82 -0.47 4.61 0.00 -1.98 0.17 119.26 124.74 2a1f h ALA 61 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2a1f h ALA 61 Cb 0.16 0.65 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2a1f h ALA 61 CO 0.00 -1.01 0.31 0.87 0.00 0.00 0.00 179.25 179.42 2a1f h LYS 62 N -0.74 0.62 -0.79 0.00 1.57 -2.00 -0.15 116.57 115.08 2a1f h LYS 62 Ca -0.01 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 2a1f h LYS 62 Cb 0.71 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 2a1f h LYS 62 CO -0.16 0.41 0.32 -0.07 -0.57 0.00 0.00 179.45 179.38 2a1f h LEU 63 N 0.64 1.08 -0.28 2.94 3.38 -1.83 -2.47 115.31 118.78 2a1f h LEU 63 Ca 0.17 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2a1f h LEU 63 Cb -0.07 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.37 2a1f h LEU 63 CO -0.04 0.96 0.09 0.00 0.09 0.00 0.00 178.44 179.54 2a1f h ALA 64 N 1.17 0.31 0.00 1.53 0.00 -0.03 -1.57 119.26 120.67 2a1f h ALA 64 Ca 0.26 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 2a1f h ALA 64 Cb 0.21 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2a1f h ALA 64 CO -0.02 -0.32 -0.08 -0.22 0.00 0.00 0.00 179.25 178.60 2a1f h LYS 65 N 0.21 0.00 -0.00 0.00 1.63 -0.89 -0.66 116.57 116.86 2a1f h LYS 65 Ca 0.12 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.92 2a1f h LYS 65 Cb 0.10 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 2a1f h LYS 65 CO -0.13 0.08 -0.05 0.00 -3.45 0.00 0.00 179.45 175.91 2a1f n ALA 66 N -2.24 2.45 0.00 5.00 0.00 -0.76 -4.89 120.51 120.07 2a1f n ALA 66 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2a1f n ALA 66 Cb 0.21 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.22 2a1f n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a1f n GLY 67 N 1.48 1.14 3.71 0.00 0.00 -0.26 -5.08 105.19 106.19 2a1f n GLY 67 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 2a1f n GLY 67 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2a1f n MET 68 N -0.66 2.59 -1.67 1.61 0.00 -0.66 -4.92 117.12 113.41 2a1f n MET 68 Ca 0.00 0.93 -0.46 0.00 -0.00 0.00 0.00 57.70 58.17 2a1f n MET 68 Cb 0.00 -2.73 -0.04 0.00 0.00 0.00 0.00 33.22 30.46 2a1f n MET 68 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 2a1f n ASN 69 N 3.19 2.92 0.19 6.12 4.05 -1.26 -4.65 115.26 125.82 2a1f n ASN 69 Ca 0.14 1.11 0.05 0.00 0.45 0.00 0.00 54.58 56.33 2a1f n ASN 69 Cb 0.34 -1.42 0.39 0.00 1.23 0.00 0.00 39.78 40.32 2a1f n ASN 69 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 177.26 174.12 2a1f h ARG 70 N 5.17 0.00 -0.29 1.20 9.65 -1.98 -1.56 114.38 126.57 2a1f h ARG 70 Ca -0.45 0.00 0.04 0.00 -1.10 0.00 0.00 59.98 58.47 2a1f h ARG 70 Cb 1.26 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.81 2a1f h ARG 70 CO 0.83 0.36 0.06 0.28 2.80 0.00 0.00 179.97 184.29 2a1f h VAL 71 N 0.00 0.87 -0.52 0.20 2.07 -1.99 0.69 116.25 117.58 2a1f h VAL 71 Ca -0.00 -0.06 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 2a1f h VAL 71 Cb 0.76 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 2a1f h VAL 71 CO 0.05 0.03 0.06 0.58 0.02 0.00 0.00 177.57 178.31 2a1f h VAL 72 N 0.17 1.25 -0.88 2.57 2.07 -1.79 -1.35 116.25 118.29 2a1f h VAL 72 Ca 0.13 -0.98 0.01 0.00 0.82 0.00 0.00 66.70 66.68 2a1f h VAL 72 Cb 0.14 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 2a1f h VAL 72 CO -0.17 0.35 0.57 1.23 0.02 0.00 0.00 177.57 179.57 2a1f h GLY 73 N 0.75 1.25 1.74 2.17 0.00 -1.07 -2.05 103.07 105.85 2a1f h GLY 73 Ca 0.15 -0.48 -0.10 0.00 0.00 0.00 0.00 47.33 46.90 2a1f h GLY 73 CO 0.01 0.47 -0.35 -0.55 0.00 0.00 0.00 176.54 176.12 2a1f h ASP 74 N 1.20 0.31 -0.59 0.19 3.32 -0.60 -2.14 116.42 118.10 2a1f h ASP 74 Ca 0.32 -0.12 -0.10 0.00 0.02 0.00 0.00 57.03 57.15 2a1f h ASP 74 Cb -0.12 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 2a1f h ASP 74 CO -0.07 0.64 -0.03 0.45 -1.72 0.00 0.00 179.24 178.51 2a1f h HIS 75 N 0.26 1.17 -0.20 4.55 3.86 -0.86 -1.20 115.15 122.73 2a1f h HIS 75 Ca 0.03 -0.21 -0.00 0.00 -1.16 0.00 0.00 60.37 59.02 2a1f h HIS 75 Cb 0.74 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.90 2a1f h HIS 75 CO 0.02 1.04 0.12 0.52 0.86 0.00 0.00 177.93 180.48 2a1f h MET 76 N 0.96 0.27 -0.85 2.45 2.86 -1.24 -1.91 114.93 117.47 2a1f h MET 76 Ca 0.16 -0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.84 2a1f h MET 76 Cb 0.60 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 32.14 2a1f h MET 76 CO 0.04 0.24 0.53 0.78 1.06 0.00 0.00 176.91 179.55 2a1f h GLY 77 N 0.23 1.29 1.06 8.32 0.00 -1.36 -1.18 103.07 111.43 2a1f h GLY 77 Ca 0.07 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 2a1f h GLY 77 CO -0.01 0.26 0.25 -0.33 0.00 0.00 0.00 176.54 176.70 2a1f h MET 78 N 0.96 1.17 -0.63 4.80 2.86 -0.88 -2.37 114.93 120.83 2a1f h MET 78 Ca 0.37 -0.25 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 2a1f h MET 78 Cb 0.18 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 2a1f h MET 78 CO -0.18 0.99 0.29 -0.07 1.06 0.00 0.00 176.91 179.00 2a1f h LEU 79 N 1.12 0.84 -1.08 1.22 3.38 -0.98 -2.43 115.31 117.38 2a1f h LEU 79 Ca 0.24 -0.14 0.16 0.00 0.09 0.00 0.00 57.88 58.23 2a1f h LEU 79 Cb 0.30 -0.22 -0.09 0.00 0.09 0.00 0.00 40.66 40.74 2a1f h LEU 79 CO -0.01 0.74 0.62 0.00 0.09 0.00 0.00 178.44 179.88 2a1f h ALA 80 N 1.13 1.67 -0.06 1.53 0.00 -1.04 -2.03 119.26 120.46 2a1f h ALA 80 Ca 0.22 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 2a1f h ALA 80 Cb 0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2a1f h ALA 80 CO -0.03 0.02 -0.26 1.79 0.00 0.00 0.00 179.25 180.77 2a1f h THR 81 N 0.82 1.21 -0.53 0.00 1.35 -0.93 -2.47 112.91 112.37 2a1f h THR 81 Ca 0.53 -1.00 -0.11 0.00 -0.55 0.00 0.00 66.41 65.27 2a1f h THR 81 Cb 0.74 1.46 -0.02 0.00 -1.73 0.00 0.00 68.15 68.61 2a1f h THR 81 CO -0.30 0.29 -0.11 0.58 -0.25 0.00 0.00 175.52 175.73 2a1f h VAL 82 N 0.09 1.27 -0.71 6.82 2.07 -1.23 -1.52 116.25 123.04 2a1f h VAL 82 Ca 0.01 -1.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.25 2a1f h VAL 82 Cb 0.51 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 2a1f h VAL 82 CO 0.04 0.45 0.38 0.24 0.02 0.00 0.00 177.57 178.69 2a1f h MET 83 N 0.88 0.99 -0.48 1.57 2.86 -1.20 -0.45 114.93 119.10 2a1f h MET 83 Ca 0.14 -0.12 -0.06 0.00 -2.06 0.00 0.00 59.70 57.60 2a1f h MET 83 Cb 0.68 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 2a1f h MET 83 CO 0.05 0.75 0.07 -0.91 1.06 0.00 0.00 176.91 177.92 2a1f h ASN 84 N 0.97 0.71 -0.37 1.22 2.35 -1.42 -2.32 115.58 116.74 2a1f h ASN 84 Ca 0.25 -0.14 -0.10 0.00 -0.55 0.00 0.00 56.30 55.76 2a1f h ASN 84 Cb 0.05 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 2a1f h ASN 84 CO -0.04 0.74 -0.12 1.23 -1.65 0.00 0.00 177.43 177.60 2a1f h GLY 85 N 0.95 0.88 0.99 2.83 0.00 -0.80 -0.95 103.07 106.96 2a1f h GLY 85 Ca 0.15 -0.67 -0.11 0.00 0.00 0.00 0.00 47.33 46.70 2a1f h GLY 85 CO 0.01 0.62 -0.23 1.41 0.00 0.00 0.00 176.54 178.34 2a1f h LEU 86 N 0.73 0.78 -0.58 3.11 3.38 -0.97 -0.12 115.31 121.65 2a1f h LEU 86 Ca 0.12 -0.43 0.02 0.00 0.09 0.00 0.00 57.88 57.68 2a1f h LEU 86 Cb 0.61 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 2a1f h LEU 86 CO 0.04 1.05 0.36 0.00 0.09 0.00 0.00 178.44 179.98 2a1f h ALA 87 N 0.76 0.74 -0.16 1.53 0.00 -1.28 -2.11 119.26 118.74 2a1f h ALA 87 Ca 0.07 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2a1f h ALA 87 Cb 0.79 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2a1f h ALA 87 CO 0.06 0.10 -0.06 1.98 0.00 0.00 0.00 179.25 181.33 2a1f h MET 88 N 0.72 0.32 -0.82 0.00 1.85 -0.99 -0.97 114.93 115.03 2a1f h MET 88 Ca 0.23 -0.14 0.11 0.00 -0.61 0.00 0.00 59.70 59.29 2a1f h MET 88 Cb -0.01 -0.01 -0.08 0.00 0.43 0.00 0.00 31.60 31.93 2a1f h MET 88 CO -0.09 0.63 0.45 -0.09 -0.40 0.00 0.00 176.91 177.41 2a1f h ARG 89 N 0.01 0.70 -0.35 0.39 2.43 -0.98 -0.44 114.38 116.15 2a1f h ARG 89 Ca 0.04 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 2a1f h ARG 89 Cb 0.52 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 2a1f h ARG 89 CO 0.02 0.46 -0.29 0.22 -1.51 0.00 0.00 179.97 178.87 2a1f h ASP 90 N 0.72 0.86 -0.37 -3.80 3.58 -1.11 -1.50 116.42 114.79 2a1f h ASP 90 Ca 0.41 -0.45 0.03 0.00 0.42 0.00 0.00 57.03 57.44 2a1f h ASP 90 Cb 0.46 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.24 2a1f h ASP 90 CO -0.29 1.13 0.19 -1.28 -2.88 0.00 0.00 179.24 176.12 2a1f h SER 91 N 0.59 0.28 -0.49 2.28 0.87 -0.71 -1.11 113.55 115.26 2a1f h SER 91 Ca 0.06 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.61 2a1f h SER 91 Cb 0.87 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.77 2a1f h SER 91 CO 0.08 0.21 0.18 -0.07 -0.53 0.00 0.00 176.83 176.70 2a1f h LEU 92 N 0.39 0.69 -0.68 2.23 3.38 -1.00 -2.01 115.31 118.31 2a1f h LEU 92 Ca 0.16 -0.18 0.09 0.00 0.09 0.00 0.00 57.88 58.04 2a1f h LEU 92 Cb 0.06 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.56 2a1f h LEU 92 CO -0.10 0.68 0.32 0.15 0.09 0.00 0.00 178.44 179.58 2a1f h PHE 93 N 0.65 0.56 0.00 1.13 3.57 -0.93 0.28 116.94 122.21 2a1f h PHE 93 Ca 0.16 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 2a1f h PHE 93 Cb 0.22 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 2a1f h PHE 93 CO 0.01 0.19 -0.11 0.00 -2.23 0.00 0.00 178.31 176.17 2a1f h ARG 94 N 0.54 0.00 -0.49 1.11 3.08 -0.75 -1.43 114.38 116.45 2a1f h ARG 94 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 2a1f h ARG 94 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2a1f h ARG 94 CO -0.28 0.11 0.00 0.00 -1.07 0.00 0.00 179.97 178.73 2a1f n ALA 95 N -2.17 2.56 -3.06 0.04 0.00 -0.62 -4.91 120.51 112.35 2a1f n ALA 95 Ca -0.00 -0.82 -0.23 0.00 0.00 0.00 0.00 53.44 52.39 2a1f n ALA 95 Cb 0.34 -0.98 0.04 0.00 0.00 0.00 0.00 19.45 18.84 2a1f n ALA 95 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2a1f n ASP 96 N 0.72 -6.05 -4.69 0.00 9.92 -0.54 -5.00 116.55 110.91 2a1f n ASP 96 Ca 0.15 -0.30 -0.35 0.00 -0.53 0.00 0.00 54.79 53.76 2a1f n ASP 96 Cb 0.43 -4.89 -0.09 0.00 -0.64 0.00 0.00 41.12 35.94 2a1f n ASP 96 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2a1f s VAL 97 N -3.18 5.11 -0.16 2.53 1.01 0.88 -5.01 120.40 121.59 2a1f s VAL 97 Ca 0.32 0.08 -0.29 0.00 0.00 0.00 0.00 61.98 62.09 2a1f s VAL 97 Cb -0.14 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 2a1f s VAL 97 CO 0.39 0.46 1.62 0.21 0.00 0.00 0.00 175.10 177.78 2a1f s ASN 98 N 0.28 6.51 -0.08 3.32 3.84 -1.26 -3.52 114.94 124.03 2a1f s ASN 98 Ca 0.06 1.86 -0.11 0.00 0.21 0.00 0.00 52.86 54.88 2a1f s ASN 98 Cb -0.12 -2.53 0.03 0.00 -0.55 0.00 0.00 41.25 38.08 2a1f s ASN 98 CO -0.01 -1.11 0.28 0.00 -2.79 0.00 0.00 177.10 173.47 2a1f s ALA 99 N 4.71 -0.70 0.01 1.71 0.00 -1.26 -1.44 121.76 124.80 2a1f s ALA 99 Ca 0.71 0.66 0.07 0.00 0.00 0.00 0.00 51.96 53.40 2a1f s ALA 99 Cb -0.28 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.49 2a1f s ALA 99 CO 0.28 -0.16 -0.20 0.15 0.00 0.00 0.00 175.76 175.83 2a1f s LYS 100 N -0.22 1.47 -0.24 0.00 -0.14 0.28 -4.96 119.74 115.94 2a1f s LYS 100 Ca -0.03 -0.81 -0.09 0.00 -1.36 0.00 0.00 55.97 53.68 2a1f s LYS 100 Cb -0.03 -1.50 -0.04 0.00 -1.68 0.00 0.00 37.83 34.58 2a1f s LYS 100 CO 0.01 0.40 0.11 -1.17 -0.76 0.00 0.00 175.35 173.94 2a1f s LEU 101 N -0.80 3.80 -0.06 3.17 2.96 -1.26 -0.22 118.68 126.27 2a1f s LEU 101 Ca 0.07 -0.02 0.01 0.00 -0.22 0.00 0.00 54.13 53.97 2a1f s LEU 101 Cb -0.08 -2.01 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 2a1f s LEU 101 CO 0.00 0.04 -0.08 -0.04 -1.32 0.00 0.00 176.35 174.95 2a1f s MET 102 N 1.22 2.70 -0.02 1.98 -1.94 0.12 -1.52 119.30 121.84 2a1f s MET 102 Ca 0.06 -0.58 0.07 0.00 -1.71 0.00 0.00 55.69 53.52 2a1f s MET 102 Cb -0.14 -2.55 -0.02 0.00 2.01 0.00 0.00 34.83 34.13 2a1f s MET 102 CO 0.05 0.66 -0.22 0.45 -0.01 0.00 0.00 175.02 175.94 2a1f s SER 103 N -0.84 2.57 0.55 3.03 0.15 0.10 -0.40 113.70 118.86 2a1f s SER 103 Ca 0.13 -0.40 0.33 0.00 0.70 0.00 0.00 55.95 56.71 2a1f s SER 103 Cb -0.11 -0.31 1.47 0.00 -1.71 0.00 0.00 66.02 65.36 2a1f s SER 103 CO 0.02 0.26 2.03 0.00 1.20 0.00 0.00 173.24 176.75 2a1f h ALA 104 N 5.63 1.04 -2.91 5.45 0.00 -1.47 -0.36 119.26 126.64 2a1f h ALA 104 Ca -0.40 -0.04 -0.63 0.00 0.00 0.00 0.00 54.91 53.84 2a1f h ALA 104 Cb 1.14 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.83 2a1f h ALA 104 CO 0.48 0.06 -0.44 -0.06 0.00 0.00 0.00 179.25 179.28 2a1f s PHE 105 N -3.80 3.53 0.13 0.00 2.99 -1.26 -4.79 117.98 114.78 2a1f s PHE 105 Ca -0.00 0.51 -0.34 0.00 0.00 0.00 0.00 56.93 57.10 2a1f s PHE 105 Cb 0.10 -2.09 -0.13 0.00 0.00 0.00 0.00 43.02 40.90 2a1f s PHE 105 CO 0.54 0.53 1.65 0.94 -0.00 0.00 0.00 175.22 178.88 2a1f n GLN 106 N 2.66 2.27 -3.46 0.44 7.27 -1.26 -4.83 117.38 120.47 2a1f n GLN 106 Ca -0.17 0.82 -0.28 0.00 0.07 0.00 0.00 57.00 57.44 2a1f n GLN 106 Cb 0.53 -2.62 -0.11 0.00 2.41 0.00 0.00 30.24 30.46 2a1f n GLN 106 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2a1f s LEU 107 N 1.43 1.58 0.19 1.69 1.43 -1.26 -5.10 118.68 118.64 2a1f s LEU 107 Ca 0.80 -2.86 -0.33 0.00 -1.03 0.00 0.00 54.13 50.71 2a1f s LEU 107 Cb -0.65 -0.53 -0.13 0.00 0.03 0.00 0.00 46.19 44.91 2a1f s LEU 107 CO 0.39 -0.21 1.66 0.59 0.23 0.00 0.00 176.35 179.01 2a1f n ASN 108 N 3.14 3.60 0.00 2.29 5.03 -1.26 -2.05 115.26 126.00 2a1f n ASN 108 Ca 0.23 1.07 0.00 0.00 0.87 0.00 0.00 54.58 56.75 2a1f n ASN 108 Cb 0.43 -1.51 0.00 0.00 -1.02 0.00 0.00 39.78 37.69 2a1f n ASN 108 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2a1f n GLY 109 N 3.72 2.53 0.29 7.41 0.00 -1.26 -4.81 105.19 113.07 2a1f n GLY 109 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 2a1f n GLY 109 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2a1f n ILE 110 N -2.00 1.26 -3.76 -0.61 5.41 -0.87 -5.11 119.36 113.67 2a1f n ILE 110 Ca 0.00 -0.31 -0.08 0.00 1.00 0.00 0.00 62.75 63.36 2a1f n ILE 110 Cb 0.00 -1.82 0.03 0.00 -0.71 0.00 0.00 39.64 37.14 2a1f n ILE 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2a1f s ASP 112 N -3.00 6.76 -0.00 0.00 1.11 -0.57 -4.53 116.67 116.43 2a1f s ASP 112 Ca 0.16 1.67 -0.20 0.00 0.18 0.00 0.00 52.55 54.35 2a1f s ASP 112 Cb -0.04 -2.53 -0.05 0.00 1.07 0.00 0.00 42.92 41.36 2a1f s ASP 112 CO 0.10 -0.49 0.59 -0.89 1.18 0.00 0.00 175.17 175.67 2a1f s THR 113 N -2.33 4.91 0.22 -1.27 2.01 -1.26 -0.72 115.64 117.20 2a1f s THR 113 Ca 0.61 1.24 -0.31 0.00 0.31 0.00 0.00 61.69 63.54 2a1f s THR 113 Cb -0.10 -3.93 -0.10 0.00 0.01 0.00 0.00 72.50 68.38 2a1f s THR 113 CO 0.20 0.42 1.48 -0.47 -0.69 0.00 0.00 174.62 175.57 2a1f s TYR 114 N -0.23 3.04 -0.13 4.92 5.04 -0.15 -4.75 117.35 125.09 2a1f s TYR 114 Ca 0.31 0.89 -0.06 0.00 -2.44 0.00 0.00 57.07 55.78 2a1f s TYR 114 Cb -0.18 -3.85 0.06 0.00 0.35 0.00 0.00 41.96 38.34 2a1f s TYR 114 CO 0.17 -2.90 0.29 1.21 -1.34 0.00 0.00 175.55 172.98 2a1f s ASN 115 N 0.65 0.03 0.20 4.32 3.84 -1.26 -5.00 114.94 117.71 2a1f s ASN 115 Ca 0.63 0.65 -0.12 0.00 0.21 0.00 0.00 52.86 54.23 2a1f s ASN 115 Cb -0.42 0.70 0.14 0.00 -0.55 0.00 0.00 41.25 41.11 2a1f s ASN 115 CO 0.39 -0.21 1.85 4.11 -2.79 0.00 0.00 177.10 180.45 2a1f h TRP 116 N 7.86 0.79 0.09 0.43 5.08 -1.95 -0.65 115.95 127.60 2a1f h TRP 116 Ca -0.24 0.02 -0.25 0.00 1.08 0.00 0.00 58.89 59.50 2a1f h TRP 116 Cb 1.13 -0.26 -0.00 0.00 -3.00 0.00 0.00 29.16 27.03 2a1f h TRP 116 CO 0.35 0.48 -1.15 0.66 -1.28 0.00 0.00 178.44 177.49 2a1f h SER 117 N 0.84 0.34 -0.76 0.11 4.64 -1.97 -1.29 113.55 115.47 2a1f h SER 117 Ca 0.25 -0.35 0.05 0.00 -0.47 0.00 0.00 61.79 61.26 2a1f h SER 117 Cb -0.05 -0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 61.88 2a1f h SER 117 CO -0.07 1.26 0.46 -0.33 -0.87 0.00 0.00 176.83 177.27 2a1f h GLU 118 N 0.07 0.84 -0.47 4.77 4.39 -1.95 -1.53 114.58 120.71 2a1f h GLU 118 Ca -0.10 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 2a1f h GLU 118 Cb 1.88 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 30.32 2a1f h GLU 118 CO 0.18 0.55 0.25 0.00 -1.16 0.00 0.00 179.01 178.83 2a1f h ALA 119 N 1.35 0.60 -0.68 3.43 0.00 -0.92 -1.41 119.26 121.64 2a1f h ALA 119 Ca 0.32 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.20 2a1f h ALA 119 Cb 0.12 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 2a1f h ALA 119 CO -0.15 0.13 0.36 0.82 0.00 0.00 0.00 179.25 180.41 2a1f h ILE 120 N 0.61 0.93 -0.60 0.00 2.04 -1.07 -0.63 117.51 118.79 2a1f h ILE 120 Ca 0.16 -0.23 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 2a1f h ILE 120 Cb 0.07 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.34 2a1f h ILE 120 CO -0.02 0.12 0.20 0.11 0.00 0.00 0.00 178.15 178.55 2a1f h LYS 121 N 0.66 0.93 -0.65 2.37 1.57 -1.00 -0.72 116.57 119.73 2a1f h LYS 121 Ca 0.31 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.85 2a1f h LYS 121 Cb 0.24 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 2a1f h LYS 121 CO -0.21 0.82 0.20 0.52 -0.57 0.00 0.00 179.45 180.21 2a1f h MET 122 N 0.85 0.99 -0.40 3.15 2.86 -1.00 -2.11 114.93 119.27 2a1f h MET 122 Ca 0.19 -0.20 -0.11 0.00 -2.06 0.00 0.00 59.70 57.53 2a1f h MET 122 Cb 0.27 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 2a1f h MET 122 CO -0.01 0.85 -0.16 -0.07 1.06 0.00 0.00 176.91 178.58 2a1f h LEU 123 N 0.95 0.84 -1.47 1.22 3.38 -0.63 -1.19 115.31 118.42 2a1f h LEU 123 Ca 0.21 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 2a1f h LEU 123 Cb 0.28 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2a1f h LEU 123 CO -0.01 1.04 0.28 0.03 0.09 0.00 0.00 178.44 179.88 2a1f h ARG 124 N 0.63 0.64 0.00 1.13 3.08 -1.08 -0.09 114.38 118.69 2a1f h ARG 124 Ca 0.09 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2a1f h ARG 124 Cb 0.71 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.62 2a1f h ARG 124 CO 0.05 0.45 0.00 0.39 -1.07 0.00 0.00 179.97 179.80 2a1f n GLU 125 N -4.43 0.76 -2.15 0.04 1.02 -0.80 -4.87 120.64 110.21 2a1f n GLU 125 Ca 0.04 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.05 2a1f n GLU 125 Cb 0.08 -1.08 -0.01 0.00 -0.02 0.00 0.00 31.44 30.41 2a1f n GLU 125 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2a1f n LYS 126 N -0.58 -1.06 -3.47 3.49 5.02 -0.04 -5.01 118.16 116.51 2a1f n LYS 126 Ca 0.03 0.69 -0.37 0.00 -2.02 0.00 0.00 58.31 56.64 2a1f n LYS 126 Cb 0.01 -4.92 -0.06 0.00 -0.02 0.00 0.00 35.03 30.04 2a1f n LYS 126 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2a1f s ARG 127 N -4.48 3.93 0.06 1.97 0.52 -0.48 -4.87 118.95 115.60 2a1f s ARG 127 Ca 0.00 0.43 -0.31 0.00 -0.52 0.00 0.00 55.73 55.33 2a1f s ARG 127 Cb 0.00 -3.16 -0.06 0.00 0.52 0.00 0.00 34.95 32.25 2a1f s ARG 127 CO 0.00 0.65 1.29 0.08 0.02 0.00 0.00 175.30 177.34 2a1f s VAL 128 N -1.17 3.77 -0.21 3.52 1.01 -0.52 -4.16 120.40 122.64 2a1f s VAL 128 Ca 0.27 1.24 -0.03 0.00 0.00 0.00 0.00 61.98 63.46 2a1f s VAL 128 Cb -0.16 -3.80 -0.00 0.00 0.00 0.00 0.00 36.38 32.41 2a1f s VAL 128 CO 0.15 0.07 -0.07 -0.69 0.00 0.00 0.00 175.10 174.57 2a1f s VAL 129 N 1.39 3.16 -0.19 2.92 1.01 -0.86 -0.55 120.40 127.29 2a1f s VAL 129 Ca 0.61 -0.56 -0.13 0.00 0.00 0.00 0.00 61.98 61.90 2a1f s VAL 129 Cb -0.32 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.59 2a1f s VAL 129 CO 0.28 0.44 0.24 -0.63 0.00 0.00 0.00 175.10 175.44 2a1f s ILE 130 N 1.42 5.33 -0.23 2.22 1.01 0.69 -0.53 121.20 131.11 2a1f s ILE 130 Ca 0.05 0.42 -0.08 0.00 0.00 0.00 0.00 60.65 61.04 2a1f s ILE 130 Cb -0.14 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 2a1f s ILE 130 CO -0.05 0.38 0.09 -0.36 0.00 0.00 0.00 174.94 175.00 2a1f s PHE 131 N 0.65 3.19 0.32 3.97 2.99 0.98 0.15 117.98 130.23 2a1f s PHE 131 Ca 0.13 -0.09 0.06 0.00 0.00 0.00 0.00 56.93 57.02 2a1f s PHE 131 Cb -0.13 -2.20 -0.06 0.00 0.00 0.00 0.00 43.02 40.63 2a1f s PHE 131 CO 0.03 -0.09 -0.00 -1.54 -0.00 0.00 0.00 175.22 173.61 2a1f s SER 132 N 1.11 2.78 -0.90 1.36 1.04 0.46 -3.57 113.70 115.98 2a1f s SER 132 Ca 0.05 -1.29 0.00 0.00 0.48 0.00 0.00 55.95 55.19 2a1f s SER 132 Cb -0.14 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.81 2a1f s SER 132 CO 0.04 -0.46 0.00 0.00 0.98 0.00 0.00 173.24 173.80 2a1f n ALA 133 N -0.68 -0.26 -0.75 5.32 0.00 -1.25 -1.37 120.51 121.51 2a1f n ALA 133 Ca -0.04 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2a1f n ALA 133 Cb 0.65 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.81 2a1f n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a1f n GLY 134 N -1.21 3.39 0.87 0.00 0.00 -1.26 -1.89 105.19 105.08 2a1f n GLY 134 Ca -0.11 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 45.93 2a1f n GLY 134 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2a1f n THR 135 N 0.00 1.16 0.00 2.61 -2.24 -1.26 -4.62 114.28 109.93 2a1f n THR 135 Ca 0.00 -1.08 0.00 0.00 -2.27 0.00 0.00 64.05 60.70 2a1f n THR 135 Cb 0.00 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 2a1f n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a1f n GLY 136 N 0.70 2.75 3.58 3.38 0.00 -0.79 -5.03 105.19 109.78 2a1f n GLY 136 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 2a1f n GLY 136 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2a1f s ASN 137 N -1.97 4.43 0.93 1.61 0.01 -1.26 -5.07 114.94 113.62 2a1f s ASN 137 Ca 0.00 -0.34 -0.13 0.00 -0.71 0.00 0.00 52.86 51.67 2a1f s ASN 137 Cb 0.00 -0.88 0.15 0.00 0.41 0.00 0.00 41.25 40.93 2a1f s ASN 137 CO 0.00 0.20 1.16 -2.16 -1.51 0.00 0.00 177.10 174.79 2a1f s PRO 138 N -2.06 0.99 -0.52 -0.60 0.04 -1.26 -4.33 135.00 127.25 2a1f s PRO 138 Ca 0.21 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.39 2a1f s PRO 138 Cb -0.11 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.59 2a1f s PRO 138 CO 0.13 -2.27 0.00 1.19 0.04 0.00 0.00 177.00 176.08 2a1f n PHE 139 N -3.79 0.00 -4.39 0.56 3.72 -1.26 -5.01 117.46 107.29 2a1f n PHE 139 Ca 0.08 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.25 2a1f n PHE 139 Cb 0.60 -1.37 -0.17 0.00 -0.94 0.00 0.00 39.48 37.60 2a1f n PHE 139 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2a1f s PHE 140 N -1.98 1.27 0.71 1.38 0.40 -1.26 -5.14 117.98 113.35 2a1f s PHE 140 Ca 0.00 -0.47 -0.11 0.00 -0.60 0.00 0.00 56.93 55.75 2a1f s PHE 140 Cb 0.00 -0.98 0.02 0.00 0.51 0.00 0.00 43.02 42.57 2a1f s PHE 140 CO 0.00 -0.28 1.08 0.95 0.70 0.00 0.00 175.22 177.67 2a1f s THR 141 N 0.86 3.72 0.31 0.64 -4.23 -1.26 -4.89 115.64 110.79 2a1f s THR 141 Ca -0.11 0.56 0.02 0.00 -1.18 0.00 0.00 61.69 60.98 2a1f s THR 141 Cb -0.15 -3.45 0.29 0.00 1.34 0.00 0.00 72.50 70.53 2a1f s THR 141 CO 0.01 -0.73 1.91 0.74 -0.54 0.00 0.00 174.62 176.01 2a1f h THR 142 N -0.71 1.02 -0.77 3.99 2.02 -1.98 -1.27 112.91 115.21 2a1f h THR 142 Ca -0.45 -0.33 0.06 0.00 0.77 0.00 0.00 66.41 66.46 2a1f h THR 142 Cb 1.24 -0.01 -0.06 0.00 -1.74 0.00 0.00 68.15 67.58 2a1f h THR 142 CO 0.61 0.17 0.46 0.44 0.37 0.00 0.00 175.52 177.58 2a1f h ASP 143 N 0.95 0.72 -0.72 4.18 3.32 -1.99 0.13 116.42 123.01 2a1f h ASP 143 Ca 0.39 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.40 2a1f h ASP 143 Cb 0.29 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 2a1f h ASP 143 CO -0.16 0.46 0.19 0.28 -1.72 0.00 0.00 179.24 178.30 2a1f h SER 144 N 0.85 1.09 -0.29 6.45 0.02 -1.71 -1.75 113.55 118.21 2a1f h SER 144 Ca 0.33 -0.23 0.02 0.00 -0.84 0.00 0.00 61.79 61.08 2a1f h SER 144 Cb 0.16 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 2a1f h SER 144 CO -0.17 1.03 0.15 0.74 -1.14 0.00 0.00 176.83 177.45 2a1f h THR 145 N 1.09 1.01 -0.58 -2.27 2.02 -0.79 -1.45 112.91 111.94 2a1f h THR 145 Ca 0.23 -0.11 0.02 0.00 0.77 0.00 0.00 66.41 67.31 2a1f h THR 145 Cb 0.36 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 2a1f h THR 145 CO 0.00 0.06 0.37 0.00 0.37 0.00 0.00 175.52 176.32 2a1f h ALA 146 N 1.14 0.75 -0.36 6.16 0.00 -0.50 -0.71 119.26 125.73 2a1f h ALA 146 Ca 0.12 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 2a1f h ALA 146 Cb 0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2a1f h ALA 146 CO -0.07 0.13 -0.12 0.00 0.00 0.00 0.00 179.25 179.19 2a1f h LEU 148 N 0.51 -0.14 -0.40 0.00 5.85 -1.01 -0.96 115.31 119.16 2a1f h LEU 148 Ca 0.09 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 2a1f h LEU 148 Cb 0.64 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 2a1f h LEU 148 CO 0.04 -0.08 0.04 0.03 -0.34 0.00 0.00 178.44 178.13 2a1f h ARG 149 N -0.19 0.68 -0.54 1.25 2.47 -1.14 -1.52 114.38 115.39 2a1f h ARG 149 Ca -0.02 -0.20 0.10 0.00 -1.26 0.00 0.00 59.98 58.61 2a1f h ARG 149 Cb 0.14 -0.07 -0.08 0.00 -1.65 0.00 0.00 29.97 28.31 2a1f h ARG 149 CO 0.03 0.74 0.04 0.78 0.56 0.00 0.00 179.97 182.13 2a1f h GLY 150 N 0.52 0.61 0.94 0.04 0.00 -1.09 -0.73 103.07 103.36 2a1f h GLY 150 Ca 0.12 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.48 2a1f h GLY 150 CO 0.01 -0.13 -0.05 -2.22 0.00 0.00 0.00 176.54 174.15 2a1f h ILE 151 N 0.17 0.89 -0.54 2.60 2.04 -0.91 -0.37 117.51 121.38 2a1f h ILE 151 Ca 0.28 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.13 2a1f h ILE 151 Cb 0.42 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 2a1f h ILE 151 CO -0.42 0.00 0.32 -0.33 0.00 0.00 0.00 178.15 177.72 2a1f h GLU 152 N -0.12 0.74 -0.29 2.37 5.08 -0.77 -2.05 114.58 119.55 2a1f h GLU 152 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2a1f h GLU 152 Cb 0.11 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2a1f h GLU 152 CO -0.01 0.55 0.00 0.44 -1.00 0.00 0.00 179.01 178.98 2a1f n ILE 153 N -4.65 0.37 -3.39 3.13 -6.64 -0.33 -4.93 119.36 102.93 2a1f n ILE 153 Ca 0.03 -0.48 -0.19 0.00 -1.77 0.00 0.00 62.75 60.34 2a1f n ILE 153 Cb 0.06 0.43 0.08 0.00 -1.44 0.00 0.00 39.64 38.77 2a1f n ILE 153 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 2a1f n GLU 154 N 0.64 -6.59 -1.83 6.28 1.02 -0.54 -4.90 120.64 114.71 2a1f n GLU 154 Ca 0.16 0.75 -0.35 0.00 -0.02 0.00 0.00 57.16 57.71 2a1f n GLU 154 Cb 0.38 -5.53 0.05 0.00 -0.02 0.00 0.00 31.44 26.31 2a1f n GLU 154 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2a1f s ALA 155 N -3.30 2.44 0.18 0.62 0.00 -0.26 -4.92 121.76 116.51 2a1f s ALA 155 Ca 0.27 0.84 0.24 0.00 0.00 0.00 0.00 51.96 53.31 2a1f s ALA 155 Cb -0.12 -3.41 0.99 0.00 0.00 0.00 0.00 23.12 20.58 2a1f s ALA 155 CO 0.66 -1.32 1.86 -0.44 0.00 0.00 0.00 175.76 176.51 2a1f h ASP 156 N 0.42 0.00 -4.56 0.00 3.32 -0.39 -3.47 116.42 111.74 2a1f h ASP 156 Ca -0.49 0.00 0.07 0.00 0.02 0.00 0.00 57.03 56.63 2a1f h ASP 156 Cb 1.28 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.65 2a1f h ASP 156 CO 0.54 0.22 0.44 0.54 -1.72 0.00 0.00 179.24 179.26 2a1f s VAL 157 N -3.73 0.00 -0.25 -1.35 0.11 -1.25 -4.55 120.40 109.38 2a1f s VAL 157 Ca -0.00 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 58.99 2a1f s VAL 157 Cb 0.11 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.95 2a1f s VAL 157 CO 0.63 0.00 0.03 -0.69 -3.33 0.00 0.00 175.10 171.74 2a1f s VAL 158 N -2.28 3.86 -0.32 2.04 1.01 -0.69 -2.04 120.40 121.97 2a1f s VAL 158 Ca 0.00 -0.46 -0.15 0.00 0.00 0.00 0.00 61.98 61.37 2a1f s VAL 158 Cb -0.01 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.50 2a1f s VAL 158 CO -0.03 0.28 0.39 -0.76 0.00 0.00 0.00 175.10 174.98 2a1f s LEU 159 N 1.53 4.30 -0.63 3.92 1.43 0.08 -1.17 118.68 128.14 2a1f s LEU 159 Ca 0.05 -0.04 -0.13 0.00 -1.03 0.00 0.00 54.13 52.97 2a1f s LEU 159 Cb -0.15 -2.40 0.16 0.00 0.03 0.00 0.00 46.19 43.82 2a1f s LEU 159 CO 0.01 -0.31 0.56 -0.75 0.23 0.00 0.00 176.35 176.08 2a1f s LYS 160 N 2.09 3.07 0.03 1.70 2.20 0.15 0.18 119.74 129.16 2a1f s LYS 160 Ca 0.14 -2.03 -0.30 0.00 -0.36 0.00 0.00 55.97 53.42 2a1f s LYS 160 Cb -0.16 -4.24 -0.07 0.00 -1.51 0.00 0.00 37.83 31.86 2a1f s LYS 160 CO 0.11 -1.28 1.47 0.00 -0.36 0.00 0.00 175.35 175.29 2a1f s ALA 161 N 0.97 3.61 0.16 3.13 0.00 -0.56 -2.34 121.76 126.73 2a1f s ALA 161 Ca 0.09 1.00 0.01 0.00 0.00 0.00 0.00 51.96 53.06 2a1f s ALA 161 Cb -0.22 -3.61 -0.00 0.00 0.00 0.00 0.00 23.12 19.28 2a1f s ALA 161 CO -0.02 -0.92 0.03 0.25 0.00 0.00 0.00 175.76 175.10 2a1f n THR 162 N 4.58 0.00 0.32 0.00 -2.24 0.44 -4.49 114.28 112.88 2a1f n THR 162 Ca 0.14 -0.86 0.12 0.00 -2.27 0.00 0.00 64.05 61.18 2a1f n THR 162 Cb 0.43 0.25 0.21 0.00 -2.10 0.00 0.00 70.33 69.12 2a1f n THR 162 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2a1f n LYS 163 N -0.38 2.52 -4.40 -0.78 4.76 -1.26 -1.95 118.16 116.67 2a1f n LYS 163 Ca -0.05 -2.30 -0.26 0.00 -2.87 0.00 0.00 58.31 52.84 2a1f n LYS 163 Cb 0.22 -1.52 -0.09 0.00 -1.84 0.00 0.00 35.03 31.80 2a1f n LYS 163 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2a1f s VAL 164 N -1.51 2.35 -0.36 -0.18 -7.23 -1.26 -4.92 120.40 107.29 2a1f s VAL 164 Ca 0.39 -1.96 0.27 0.00 -1.81 0.00 0.00 61.98 58.86 2a1f s VAL 164 Cb 0.23 -2.86 0.30 0.00 0.56 0.00 0.00 36.38 34.61 2a1f s VAL 164 CO 0.32 -0.11 1.79 0.44 -0.31 0.00 0.00 175.10 177.23 2a1f h ASP 165 N 1.76 0.00 0.00 4.85 3.45 -1.93 -2.10 116.42 122.45 2a1f h ASP 165 Ca -0.43 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.03 2a1f h ASP 165 Cb 1.25 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.02 2a1f h ASP 165 CO 0.71 0.00 0.00 0.61 -1.57 0.00 0.00 179.24 178.99 2a1f n GLY 166 N 0.33 -0.26 3.62 2.75 0.00 -1.26 -3.93 105.19 106.43 2a1f n GLY 166 Ca 0.02 -0.68 -0.38 0.00 0.00 0.00 0.00 46.02 44.98 2a1f n GLY 166 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a1f s VAL 167 N -4.00 5.31 0.57 1.61 1.01 -1.26 -5.00 120.40 118.64 2a1f s VAL 167 Ca 0.00 0.22 0.06 0.00 0.00 0.00 0.00 61.98 62.26 2a1f s VAL 167 Cb 0.00 -3.54 0.06 0.00 0.00 0.00 0.00 36.38 32.91 2a1f s VAL 167 CO 0.00 0.27 0.53 -1.22 0.00 0.00 0.00 175.10 174.69 2a1f n TYR 168 N 4.82 -1.07 -0.08 5.22 4.02 -1.26 -0.85 117.16 127.97 2a1f n TYR 168 Ca -0.14 -2.30 -0.11 0.00 -0.01 0.00 0.00 57.90 55.34 2a1f n TYR 168 Cb 0.52 -0.49 -0.04 0.00 -0.02 0.00 0.00 39.34 39.31 2a1f n TYR 168 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 2a1f h ASP 169 N 0.50 0.40 0.00 7.72 3.32 -1.87 -3.47 116.42 123.02 2a1f h ASP 169 Ca -0.33 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.43 2a1f h ASP 169 Cb 1.29 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.73 2a1f h ASP 169 CO 0.51 0.60 0.00 0.00 -1.72 0.00 0.00 179.24 178.62 2a1f n ALA 178 N -3.38 0.00 -2.63 0.00 0.00 -1.26 -5.24 120.51 108.00 2a1f n ALA 178 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 2a1f n ALA 178 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2a1f n ALA 178 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2a1f s LYS 179 N -0.05 3.80 -0.16 0.00 1.02 -1.26 -5.08 119.74 118.00 2a1f s LYS 179 Ca 0.00 0.24 -0.23 0.00 0.02 0.00 0.00 55.97 56.00 2a1f s LYS 179 Cb 0.00 -3.22 -0.02 0.00 -0.52 0.00 0.00 37.83 34.06 2a1f s LYS 179 CO 0.00 0.69 0.73 -1.17 -0.92 0.00 0.00 175.35 174.67 2a1f s LEU 180 N -0.97 4.19 0.18 3.17 2.96 -1.26 -2.30 118.68 124.66 2a1f s LEU 180 Ca 0.21 1.04 -0.30 0.00 -0.22 0.00 0.00 54.13 54.86 2a1f s LEU 180 Cb -0.15 -3.07 -0.08 0.00 0.50 0.00 0.00 46.19 43.39 2a1f s LEU 180 CO 0.10 -0.29 1.04 -0.31 -1.32 0.00 0.00 176.35 175.57 2a1f s TYR 181 N 1.79 3.71 -0.13 5.38 1.51 -0.03 -4.97 117.35 124.60 2a1f s TYR 181 Ca 0.34 1.71 -0.11 0.00 -1.01 0.00 0.00 57.07 58.00 2a1f s TYR 181 Cb -0.16 -3.17 -0.25 0.00 -0.11 0.00 0.00 41.96 38.26 2a1f s TYR 181 CO 0.13 -0.23 0.38 -0.22 -1.11 0.00 0.00 175.55 174.50 2a1f h LYS 182 N 4.95 0.22 -4.40 -0.62 3.64 -1.88 -3.38 116.57 115.10 2a1f h LYS 182 Ca -0.44 -0.38 -0.41 0.00 -1.27 0.00 0.00 60.65 58.14 2a1f h LYS 182 Cb 1.21 0.14 -0.31 0.00 -0.41 0.00 0.00 32.23 32.86 2a1f h LYS 182 CO 0.71 1.18 -0.78 -0.80 -2.27 0.00 0.00 179.45 177.49 2a1f s ASN 183 N -7.03 1.06 0.02 4.20 0.01 -1.26 -0.18 114.94 111.76 2a1f s ASN 183 Ca -0.23 -0.16 0.01 0.00 -0.71 0.00 0.00 52.86 51.77 2a1f s ASN 183 Cb 0.06 -0.33 -0.01 0.00 0.41 0.00 0.00 41.25 41.38 2a1f s ASN 183 CO 0.74 0.03 -0.05 -0.76 -1.51 0.00 0.00 177.10 175.56 2a1f s LEU 184 N 0.34 2.15 0.46 0.60 1.43 0.59 -4.94 118.68 119.30 2a1f s LEU 184 Ca -0.05 -0.34 -0.05 0.00 -1.03 0.00 0.00 54.13 52.66 2a1f s LEU 184 Cb -0.09 -0.12 -0.04 0.00 0.03 0.00 0.00 46.19 45.97 2a1f s LEU 184 CO 0.00 -0.12 0.76 -0.94 0.23 0.00 0.00 176.35 176.28 2a1f s SER 185 N -0.93 6.30 0.23 2.29 1.04 -1.26 -1.54 113.70 119.84 2a1f s SER 185 Ca -0.06 0.91 -0.06 0.00 0.48 0.00 0.00 55.95 57.21 2a1f s SER 185 Cb -0.06 -2.24 0.32 0.00 0.10 0.00 0.00 66.02 64.14 2a1f s SER 185 CO -0.00 -0.53 1.84 1.88 0.98 0.00 0.00 173.24 177.41 2a1f h TYR 186 N 0.42 0.91 -0.87 5.02 -1.99 -1.79 -2.39 116.97 116.28 2a1f h TYR 186 Ca -0.47 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.27 2a1f h TYR 186 Cb 1.20 -0.29 -0.04 0.00 2.00 0.00 0.00 36.73 39.60 2a1f h TYR 186 CO 0.58 0.45 0.48 0.00 -0.00 0.00 0.00 178.16 179.67 2a1f h ALA 187 N 1.40 1.12 -0.10 3.88 0.00 -1.94 -2.91 119.26 120.70 2a1f h ALA 187 Ca 0.36 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.15 2a1f h ALA 187 Cb 0.19 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2a1f h ALA 187 CO -0.18 0.62 0.04 0.93 0.00 0.00 0.00 179.25 180.66 2a1f h GLU 188 N 1.22 0.10 -0.54 0.00 5.08 -1.84 -0.62 114.58 117.96 2a1f h GLU 188 Ca 0.31 -0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.76 2a1f h GLU 188 Cb 0.02 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.17 2a1f h GLU 188 CO -0.05 0.06 0.07 0.28 -1.00 0.00 0.00 179.01 178.37 2a1f h VAL 189 N 0.10 0.63 -0.43 3.13 2.07 -1.25 0.26 116.25 120.76 2a1f h VAL 189 Ca 0.04 -0.07 -0.13 0.00 0.82 0.00 0.00 66.70 67.37 2a1f h VAL 189 Cb 0.01 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 2a1f h VAL 189 CO -0.03 0.04 -0.22 0.40 0.02 0.00 0.00 177.57 177.77 2a1f h ILE 190 N 0.19 1.28 -0.29 4.57 2.04 -1.46 -1.21 117.51 122.63 2a1f h ILE 190 Ca 0.28 -1.38 -0.05 0.00 1.00 0.00 0.00 64.86 64.72 2a1f h ILE 190 Cb 0.41 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 2a1f h ILE 190 CO -0.40 0.47 0.00 0.44 0.00 0.00 0.00 178.15 178.66 2a1f h ASP 191 N 0.73 0.51 -0.12 1.72 3.32 -0.25 -2.93 116.42 119.40 2a1f h ASP 191 Ca 0.09 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.84 2a1f h ASP 191 Cb 0.80 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.21 2a1f h ASP 191 CO 0.07 0.69 0.00 0.29 -1.72 0.00 0.00 179.24 178.57 2a1f n LYS 192 N -4.58 1.41 -4.02 3.56 5.02 0.83 -4.93 118.16 115.45 2a1f n LYS 192 Ca -0.03 -0.62 -0.28 0.00 -2.02 0.00 0.00 58.31 55.36 2a1f n LYS 192 Cb 0.25 -1.29 -0.03 0.00 -0.02 0.00 0.00 35.03 33.95 2a1f n LYS 192 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2a1f n GLU 193 N -0.11 -2.42 -3.40 1.97 1.02 -0.82 -4.96 120.64 111.91 2a1f n GLU 193 Ca 0.12 0.32 -0.31 0.00 -0.02 0.00 0.00 57.16 57.27 2a1f n GLU 193 Cb 0.19 -4.17 -0.05 0.00 -0.02 0.00 0.00 31.44 27.39 2a1f n GLU 193 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2a1f s LEU 194 N -7.05 4.15 -0.30 -4.62 1.43 -0.52 -5.05 118.68 106.72 2a1f s LEU 194 Ca 0.07 0.89 -0.09 0.00 -1.03 0.00 0.00 54.13 53.96 2a1f s LEU 194 Cb -0.03 -3.66 -0.01 0.00 0.03 0.00 0.00 46.19 42.52 2a1f s LEU 194 CO 0.92 -0.09 0.14 -1.59 0.23 0.00 0.00 176.35 175.95 2a1f s LYS 195 N -2.93 3.37 -0.07 1.70 -2.85 -1.26 -4.79 119.74 112.92 2a1f s LYS 195 Ca 0.47 -0.69 -0.04 0.00 -1.00 0.00 0.00 55.97 54.71 2a1f s LYS 195 Cb -0.11 -3.53 -0.03 0.00 -2.06 0.00 0.00 37.83 32.10 2a1f s LYS 195 CO 0.23 -0.39 -0.09 0.28 0.10 0.00 0.00 175.35 175.48 2a1f n VAL 196 N 4.97 0.44 -2.81 1.79 0.31 -1.26 -4.99 118.33 116.77 2a1f n VAL 196 Ca -0.14 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 2a1f n VAL 196 Cb 0.49 -1.61 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 2a1f n VAL 196 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 2a1f n MET 197 N -3.34 0.00 -2.25 5.55 0.00 -1.26 -5.12 117.12 110.70 2a1f n MET 197 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 57.70 57.27 2a1f n MET 197 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.79 2a1f n MET 197 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 2a1f s ASP 198 N 0.92 6.28 0.25 3.17 1.47 -1.26 -4.88 116.67 122.62 2a1f s ASP 198 Ca 0.00 1.23 -0.03 0.00 1.18 0.00 0.00 52.55 54.93 2a1f s ASP 198 Cb 0.00 -2.38 0.46 0.00 -0.34 0.00 0.00 42.92 40.66 2a1f s ASP 198 CO 0.00 -0.72 1.78 0.25 0.68 0.00 0.00 175.17 177.16 2a1f h LEU 199 N 0.05 0.57 -0.37 2.11 5.85 -2.02 -1.10 115.31 120.41 2a1f h LEU 199 Ca -0.45 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.29 2a1f h LEU 199 Cb 1.19 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 2a1f h LEU 199 CO 0.62 0.28 0.04 0.77 -0.34 0.00 0.00 178.44 179.81 2a1f h SER 200 N 0.68 0.60 0.17 1.25 4.64 -1.98 0.12 113.55 119.03 2a1f h SER 200 Ca 0.43 -0.28 -0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2a1f h SER 200 Cb 0.52 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 2a1f h SER 200 CO -0.31 0.73 -0.12 0.00 -0.87 0.00 0.00 176.83 176.26 2a1f h ALA 201 N 0.90 -0.27 -0.84 5.18 0.00 -1.75 -1.95 119.26 120.52 2a1f h ALA 201 Ca 0.11 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2a1f h ALA 201 Cb 0.39 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 2a1f h ALA 201 CO 0.01 -0.66 0.56 0.35 0.00 0.00 0.00 179.25 179.51 2a1f h PHE 202 N -0.29 1.06 -0.85 0.00 3.57 -1.16 -1.34 116.94 117.93 2a1f h PHE 202 Ca -0.01 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.52 2a1f h PHE 202 Cb 0.25 -0.36 -0.04 0.00 2.79 0.00 0.00 35.95 38.59 2a1f h PHE 202 CO -0.09 0.66 0.56 1.15 -2.23 0.00 0.00 178.31 178.35 2a1f h THR 203 N 1.14 1.22 -0.02 4.41 2.02 -0.64 0.16 112.91 121.20 2a1f h THR 203 Ca 0.31 -0.40 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 2a1f h THR 203 Cb -0.12 -0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.26 2a1f h THR 203 CO -0.07 0.21 -0.01 0.25 0.37 0.00 0.00 175.52 176.27 2a1f h LEU 204 N 1.15 0.03 -0.81 2.58 5.85 -0.67 -0.66 115.31 122.77 2a1f h LEU 204 Ca 0.31 -0.39 0.11 0.00 0.84 0.00 0.00 57.88 58.75 2a1f h LEU 204 Cb -0.13 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 40.81 2a1f h LEU 204 CO -0.07 0.41 0.45 0.00 -0.34 0.00 0.00 178.44 178.89 2a1f h ALA 205 N 0.62 1.17 0.17 1.25 0.00 -1.11 -2.60 119.26 118.76 2a1f h ALA 205 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2a1f h ALA 205 Cb 0.40 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2a1f h ALA 205 CO 0.00 0.04 -0.08 -0.09 0.00 0.00 0.00 179.25 179.12 2a1f h ARG 206 N 0.73 -0.22 -0.41 0.00 2.43 -0.42 0.76 114.38 117.25 2a1f h ARG 206 Ca 0.40 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.60 2a1f h ARG 206 Cb 0.43 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 2a1f h ARG 206 CO -0.27 0.02 0.27 -0.44 -1.51 0.00 0.00 179.97 178.04 2a1f h ASP 207 N -0.45 0.44 -0.02 -3.80 3.32 -1.03 -2.32 116.42 112.56 2a1f h ASP 207 Ca -0.02 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2a1f h ASP 207 Cb 0.35 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2a1f h ASP 207 CO 0.04 0.31 -0.02 1.41 -1.72 0.00 0.00 179.24 179.26 2a1f n HIS 208 N -4.48 0.00 -2.23 4.55 8.25 -0.99 -4.97 115.22 115.35 2a1f n HIS 208 Ca 0.04 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.34 2a1f n HIS 208 Cb 0.10 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.19 2a1f n HIS 208 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2a1f n GLY 209 N 1.30 -0.13 3.63 -1.41 0.00 -0.00 -4.96 105.19 103.63 2a1f n GLY 209 Ca 0.15 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 2a1f n GLY 209 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2a1f s MET 210 N -4.66 3.99 0.48 1.61 0.00 0.05 -4.84 119.30 115.94 2a1f s MET 210 Ca 0.00 1.09 -0.21 0.00 0.00 0.00 0.00 55.69 56.57 2a1f s MET 210 Cb 0.00 -3.80 -0.08 0.00 0.00 0.00 0.00 34.83 30.95 2a1f s MET 210 CO 0.00 -1.01 1.06 -1.25 0.00 0.00 0.00 175.02 173.82 2a1f s PRO 211 N 3.88 3.80 -0.05 4.11 0.04 -1.26 -4.69 135.00 140.83 2a1f s PRO 211 Ca 0.49 1.43 0.04 0.00 0.04 0.00 0.00 61.00 63.00 2a1f s PRO 211 Cb -0.13 -2.16 -0.00 0.00 0.04 0.00 0.00 34.50 32.24 2a1f s PRO 211 CO 0.19 -0.44 -0.18 0.42 0.04 0.00 0.00 177.00 177.03 2a1f s ILE 212 N -1.89 1.49 -0.20 0.56 1.01 -0.26 -1.70 121.20 120.21 2a1f s ILE 212 Ca 0.66 -0.75 -0.02 0.00 0.00 0.00 0.00 60.65 60.55 2a1f s ILE 212 Cb -0.18 -1.28 0.00 0.00 0.01 0.00 0.00 42.46 41.00 2a1f s ILE 212 CO 0.22 0.43 -0.11 -0.13 0.00 0.00 0.00 174.94 175.35 2a1f s ARG 213 N 0.03 3.23 -0.30 2.79 1.81 -0.32 -0.19 118.95 126.00 2a1f s ARG 213 Ca -0.04 -0.71 -0.11 0.00 -1.72 0.00 0.00 55.73 53.15 2a1f s ARG 213 Cb -0.12 -2.82 -0.03 0.00 -0.45 0.00 0.00 34.95 31.53 2a1f s ARG 213 CO 0.02 -0.18 0.19 0.08 -0.68 0.00 0.00 175.30 174.74 2a1f s VAL 214 N 1.33 5.15 0.16 3.52 1.01 -0.23 0.32 120.40 131.67 2a1f s VAL 214 Ca 0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.95 2a1f s VAL 214 Cb -0.14 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 2a1f s VAL 214 CO -0.06 0.16 0.16 0.72 0.00 0.00 0.00 175.10 176.08 2a1f s PHE 215 N 1.72 0.76 -0.68 5.22 -0.12 -0.99 -1.33 117.98 122.58 2a1f s PHE 215 Ca 0.06 -1.10 -0.20 0.00 -0.05 0.00 0.00 56.93 55.64 2a1f s PHE 215 Cb -0.16 -0.34 0.10 0.00 -0.63 0.00 0.00 43.02 41.99 2a1f s PHE 215 CO 0.10 -0.63 0.86 1.21 -0.05 0.00 0.00 175.22 176.71 2a1f s ASN 216 N -3.05 6.27 0.40 1.98 3.84 -0.79 -0.42 114.94 123.17 2a1f s ASN 216 Ca 0.25 -1.41 0.11 0.00 0.21 0.00 0.00 52.86 52.02 2a1f s ASN 216 Cb 0.06 -2.36 0.84 0.00 -0.55 0.00 0.00 41.25 39.24 2a1f s ASN 216 CO 0.04 -1.21 1.93 -0.03 -2.79 0.00 0.00 177.10 175.04 2a1f h MET 217 N 9.22 0.17 -0.11 0.43 1.85 -1.67 -3.01 114.93 121.79 2a1f h MET 217 Ca -0.21 -0.04 0.03 0.00 -0.61 0.00 0.00 59.70 58.88 2a1f h MET 217 Cb 1.07 -0.02 -0.00 0.00 0.43 0.00 0.00 31.60 33.07 2a1f h MET 217 CO 1.12 0.32 0.09 0.78 -0.40 0.00 0.00 176.91 178.82 2a1f h GLY 218 N 0.70 0.00 -5.16 1.39 0.00 -1.91 -3.39 103.07 94.70 2a1f h GLY 218 Ca 0.03 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.80 2a1f h GLY 218 CO 0.02 0.00 0.96 0.54 0.00 0.00 0.00 176.54 178.06 2a1f s LYS 219 N -4.98 4.22 0.40 4.80 1.02 -1.14 -5.03 119.74 119.03 2a1f s LYS 219 Ca -0.05 1.88 -0.25 0.00 0.02 0.00 0.00 55.97 57.57 2a1f s LYS 219 Cb 0.17 -3.83 -0.08 0.00 -0.52 0.00 0.00 37.83 33.57 2a1f s LYS 219 CO 0.66 -0.74 1.15 -2.14 -0.92 0.00 0.00 175.35 173.36 2a1f s PRO 220 N 3.58 4.07 0.00 -1.68 0.02 -1.26 -2.76 135.00 136.97 2a1f s PRO 220 Ca 0.62 1.78 0.00 0.00 0.02 0.00 0.00 61.00 63.42 2a1f s PRO 220 Cb -0.27 -2.66 0.00 0.00 0.02 0.00 0.00 34.50 31.60 2a1f s PRO 220 CO 0.21 -0.29 0.00 0.41 -0.33 0.00 0.00 177.00 177.00 2a1f n GLY 221 N 0.60 2.97 0.26 0.52 0.00 -1.26 -4.92 105.19 103.36 2a1f n GLY 221 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 2a1f n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a1f h ALA 222 N 0.00 0.69 -0.66 4.61 0.00 -1.80 -0.39 119.26 121.71 2a1f h ALA 222 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2a1f h ALA 222 Cb 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2a1f h ALA 222 CO 0.00 0.42 0.43 1.25 0.00 0.00 0.00 179.25 181.35 2a1f h LEU 223 N 0.74 0.77 -0.32 0.00 5.85 -1.84 0.83 115.31 121.33 2a1f h LEU 223 Ca 0.16 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 2a1f h LEU 223 Cb 0.38 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2a1f h LEU 223 CO 0.01 0.57 0.05 -0.09 -0.34 0.00 0.00 178.44 178.63 2a1f h ARG 224 N 0.90 0.54 -0.95 1.25 2.43 -1.86 -1.99 114.38 114.70 2a1f h ARG 224 Ca 0.24 -0.15 0.06 0.00 -0.81 0.00 0.00 59.98 59.32 2a1f h ARG 224 Cb -0.08 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.34 2a1f h ARG 224 CO -0.05 0.64 0.61 1.96 -1.51 0.00 0.00 179.97 181.61 2a1f h GLN 225 N 0.37 1.08 -0.50 0.20 4.20 -0.79 -1.82 115.11 117.85 2a1f h GLN 225 Ca 0.10 -0.06 -0.09 0.00 0.06 0.00 0.00 58.65 58.65 2a1f h GLN 225 Cb 0.36 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 2a1f h GLN 225 CO 0.01 0.71 -0.07 0.28 -0.67 0.00 0.00 178.83 179.10 2a1f h VAL 226 N 1.11 1.26 0.00 -0.54 2.07 -0.62 -2.63 116.25 116.90 2a1f h VAL 226 Ca 0.41 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.77 2a1f h VAL 226 Cb 0.14 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2a1f h VAL 226 CO -0.17 0.41 -0.18 0.58 0.02 0.00 0.00 177.57 178.23 2a1f h VAL 227 N 0.81 0.00 -0.28 2.57 2.07 -1.06 -3.33 116.25 117.03 2a1f h VAL 227 Ca 0.14 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.80 2a1f h VAL 227 Cb 0.58 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 2a1f h VAL 227 CO 0.03 0.00 0.00 0.35 0.02 0.00 0.00 177.57 177.97 2a1f n THR 228 N -2.81 0.87 -3.77 2.57 -2.24 -0.71 -0.92 114.28 107.26 2a1f n THR 228 Ca 0.04 -0.94 0.01 0.00 -2.27 0.00 0.00 64.05 60.89 2a1f n THR 228 Cb 0.51 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 2a1f n THR 228 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2a1f s GLY 229 N -0.98 -0.24 -0.01 3.38 0.00 -1.00 -4.51 107.32 103.97 2a1f s GLY 229 Ca 0.20 0.29 0.21 0.00 0.00 0.00 0.00 44.72 45.42 2a1f s GLY 229 CO 0.14 1.91 0.79 2.41 0.00 0.00 0.00 173.10 178.35 2a1f n THR 230 N -0.63 0.00 0.02 0.90 -1.04 -1.26 -4.57 114.28 107.70 2a1f n THR 230 Ca -0.04 -0.13 -0.10 0.00 -2.04 0.00 0.00 64.05 61.74 2a1f n THR 230 Cb 0.61 0.75 -0.13 0.00 -1.82 0.00 0.00 70.33 69.73 2a1f n THR 230 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2a1f h GLU 231 N 0.00 0.06 -6.57 -2.82 4.39 -1.94 -3.46 114.58 104.24 2a1f h GLU 231 Ca 0.00 -0.11 -0.52 0.00 0.34 0.00 0.00 59.36 59.07 2a1f h GLU 231 Cb 0.63 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 2a1f h GLU 231 CO 0.00 0.80 0.45 -1.21 -1.16 0.00 0.00 179.01 177.89 2a1f s GLU 232 N -2.63 4.58 1.79 2.33 0.41 -1.26 -4.87 118.70 119.05 2a1f s GLU 232 Ca -0.05 1.62 0.00 0.00 -0.41 0.00 0.00 54.97 56.13 2a1f s GLU 232 Cb 0.08 -3.34 0.00 0.00 -1.78 0.00 0.00 34.13 29.09 2a1f s GLU 232 CO 0.83 0.02 0.00 0.41 -0.49 0.00 0.00 175.26 176.03 2a1f n GLY 233 N 2.45 -1.45 3.23 -1.39 0.00 -1.25 -4.84 105.19 101.94 2a1f n GLY 233 Ca 0.04 -1.29 -0.32 0.00 0.00 0.00 0.00 46.02 44.45 2a1f n GLY 233 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2a1f s THR 234 N 0.00 2.13 -0.19 2.61 2.01 -0.44 -4.59 115.64 117.17 2a1f s THR 234 Ca 0.00 -1.00 -0.08 0.00 0.31 0.00 0.00 61.69 60.92 2a1f s THR 234 Cb 0.00 -1.81 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 2a1f s THR 234 CO 0.00 0.56 0.09 -0.89 -0.69 0.00 0.00 174.62 173.68 2a1f s THR 235 N 0.31 4.99 -0.18 -0.82 2.01 0.75 -1.07 115.64 121.63 2a1f s THR 235 Ca -0.18 0.04 -0.01 0.00 0.31 0.00 0.00 61.69 61.85 2a1f s THR 235 Cb -0.18 -3.26 -0.00 0.00 0.01 0.00 0.00 72.50 69.07 2a1f s THR 235 CO 0.09 0.45 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.72 2a1f s ILE 236 N 0.41 2.86 0.34 1.82 1.09 0.73 -0.30 121.20 128.16 2a1f s ILE 236 Ca 0.05 -0.68 -0.08 0.00 -1.10 0.00 0.00 60.65 58.83 2a1f s ILE 236 Cb -0.12 -2.25 0.02 0.00 -1.06 0.00 0.00 42.46 39.05 2a1f s ILE 236 CO -0.00 0.48 0.58 0.00 -0.10 0.00 0.00 174.94 175.90 2a1f s GLU 238 N -2.94 4.23 0.79 0.00 2.12 -1.26 -2.14 118.70 119.49 2a1f s GLU 238 Ca 0.24 2.30 -0.14 0.00 0.36 0.00 0.00 54.97 57.74 2a1f s GLU 238 Cb -0.02 -3.27 0.05 0.00 0.26 0.00 0.00 34.13 31.15 2a1f s GLU 238 CO 0.16 -0.61 1.03 0.41 -0.54 0.00 0.00 175.26 175.71 2a1f n GLY 239 N 3.76 -0.39 0.11 -1.50 0.00 -1.26 -4.93 105.19 100.98 2a1f n GLY 239 Ca 0.14 -0.47 0.11 0.00 0.00 0.00 0.00 46.02 45.80 2a1f n GLY 239 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2a1f n HIS 240 N -3.07 0.66 1.64 1.61 1.44 -1.26 -4.09 115.22 112.15 2a1f n HIS 240 Ca 0.13 0.26 0.14 0.00 -2.01 0.00 0.00 57.72 56.23 2a1f n HIS 240 Cb 0.50 -0.92 0.62 0.00 0.12 0.00 0.00 29.99 30.32 2a1f n HIS 240 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2a1f n HIS 241 N -2.10 0.03 -0.03 -1.40 -0.00 -1.26 -3.69 115.22 106.77 2a1f n HIS 241 Ca 0.02 -0.02 -0.21 0.00 -0.00 0.00 0.00 57.72 57.52 2a1f n HIS 241 Cb 0.21 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 30.07 2a1f n HIS 241 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2a1f n HIS 242 N -0.20 0.99 -3.93 -1.40 -0.00 -1.26 -5.06 115.22 104.36 2a1f n HIS 242 Ca 0.20 0.22 -0.09 0.00 -0.00 0.00 0.00 57.72 58.05 2a1f n HIS 242 Cb 0.26 -1.13 -0.03 0.00 -0.00 0.00 0.00 29.99 29.09 2a1f n HIS 242 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2a1f s HIS 243 N -2.54 0.21 -0.09 4.41 -3.43 -1.24 -5.11 115.29 107.50 2a1f s HIS 243 Ca -0.25 -0.63 -0.13 0.00 -0.80 0.00 0.00 55.06 53.24 2a1f s HIS 243 Cb 0.07 0.43 -0.10 0.00 -1.43 0.00 0.00 32.58 31.55 2a1f s HIS 243 CO 0.72 -1.17 0.45 0.45 -2.00 0.00 0.00 174.74 173.20 2a1f h HIS 244 N 2.12 -0.13 -0.02 0.38 3.86 -1.97 -3.46 115.15 115.93 2a1f h HIS 244 Ca -0.25 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.96 2a1f h HIS 244 Cb 1.25 0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.76 2a1f h HIS 244 CO 0.64 0.20 0.00 0.72 0.86 0.00 0.00 177.93 180.35