#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 3.55 0.45 4.33 -0.21 -1.26 -4.94 119.66 121.57 2a1f s GLN 3 Ca 0.00 0.06 -0.24 0.00 0.02 0.00 0.00 55.36 55.20 2a1f s GLN 3 Cb 0.00 -2.47 -0.07 0.00 1.00 0.00 0.00 33.01 31.47 2a1f s GLN 3 CO 0.00 -0.08 1.25 -1.25 -2.12 0.00 0.00 175.29 173.10 2a1f s PRO 4 N -4.50 3.75 0.00 2.91 0.04 -1.26 -4.48 135.00 131.45 2a1f s PRO 4 Ca 0.45 2.01 0.24 0.00 0.04 0.00 0.00 61.00 63.75 2a1f s PRO 4 Cb -0.10 -2.54 0.33 0.00 0.04 0.00 0.00 34.50 32.23 2a1f s PRO 4 CO 0.41 -0.62 1.32 0.44 0.04 0.00 0.00 177.00 178.59 2a1f n ILE 5 N -0.29 0.00 -4.52 0.56 -5.35 0.07 -4.94 119.36 104.89 2a1f n ILE 5 Ca 0.06 -0.34 -0.25 0.00 -0.27 0.00 0.00 62.75 61.95 2a1f n ILE 5 Cb 0.46 1.13 -0.13 0.00 -1.74 0.00 0.00 39.64 39.35 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 -2.21 1.84 -0.09 4.28 1.51 -1.26 -5.05 117.35 116.38 2a1f s TYR 6 Ca 0.26 -0.39 0.08 0.00 -1.01 0.00 0.00 57.07 56.01 2a1f s TYR 6 Cb 0.19 -1.06 -0.24 0.00 -0.11 0.00 0.00 41.96 40.74 2a1f s TYR 6 CO 0.42 0.14 0.50 1.63 -1.11 0.00 0.00 175.55 177.13 2a1f n LYS 7 N 1.54 0.67 -3.70 -0.62 5.02 -1.26 -4.81 118.16 115.00 2a1f n LYS 7 Ca -0.18 0.25 -0.14 0.00 -2.02 0.00 0.00 58.31 56.22 2a1f n LYS 7 Cb 0.53 -1.73 -0.14 0.00 -0.02 0.00 0.00 35.03 33.67 2a1f n LYS 7 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2a1f s ARG 8 N -2.57 0.14 0.26 1.97 3.52 -1.26 -1.21 118.95 119.79 2a1f s ARG 8 Ca -0.11 0.60 0.12 0.00 -0.13 0.00 0.00 55.73 56.21 2a1f s ARG 8 Cb 0.07 -0.12 -0.05 0.00 -1.56 0.00 0.00 34.95 33.29 2a1f s ARG 8 CO 0.80 -0.23 -0.19 0.96 -0.81 0.00 0.00 175.30 175.83 2a1f s ILE 9 N 1.86 2.58 -0.25 4.11 -4.36 -0.62 0.13 121.20 124.64 2a1f s ILE 9 Ca -0.03 -2.25 0.02 0.00 -0.26 0.00 0.00 60.65 58.13 2a1f s ILE 9 Cb -0.11 -2.33 0.06 0.00 1.25 0.00 0.00 42.46 41.33 2a1f s ILE 9 CO -0.08 -0.33 -0.10 -0.22 0.24 0.00 0.00 174.94 174.45 2a1f s LEU 10 N -3.32 3.10 -0.34 0.37 0.20 -0.84 -1.90 118.68 115.95 2a1f s LEU 10 Ca 0.28 -1.27 -0.20 0.00 0.69 0.00 0.00 54.13 53.63 2a1f s LEU 10 Cb -0.06 -1.44 -0.00 0.00 -0.43 0.00 0.00 46.19 44.25 2a1f s LEU 10 CO 0.14 -0.18 0.59 -0.22 -0.29 0.00 0.00 176.35 176.39 2a1f s LEU 11 N 1.20 4.26 -0.24 -0.68 2.96 -0.47 -0.41 118.68 125.31 2a1f s LEU 11 Ca -0.07 0.14 -0.13 0.00 -0.22 0.00 0.00 54.13 53.86 2a1f s LEU 11 Cb -0.19 -2.73 -0.04 0.00 0.50 0.00 0.00 46.19 43.73 2a1f s LEU 11 CO -0.06 -0.54 0.26 -0.75 -1.32 0.00 0.00 176.35 173.95 2a1f s LYS 12 N 2.59 4.08 -0.10 1.98 2.36 0.63 -1.35 119.74 129.92 2a1f s LYS 12 Ca 0.23 -0.10 0.03 0.00 -2.55 0.00 0.00 55.97 53.58 2a1f s LYS 12 Cb -0.15 -3.57 -0.00 0.00 -1.05 0.00 0.00 37.83 33.06 2a1f s LYS 12 CO 0.14 -0.05 -0.22 -0.51 1.55 0.00 0.00 175.35 176.26 2a1f s LEU 13 N 1.37 2.20 0.85 5.43 1.43 -0.25 -1.68 118.68 128.03 2a1f s LEU 13 Ca 0.12 -0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 52.59 2a1f s LEU 13 Cb -0.14 -1.44 0.11 0.00 0.03 0.00 0.00 46.19 44.74 2a1f s LEU 13 CO 0.07 0.16 1.13 -0.94 0.23 0.00 0.00 176.35 177.01 2a1f s SER 14 N 0.32 3.55 0.41 2.29 1.04 -1.26 -1.09 113.70 118.95 2a1f s SER 14 Ca -0.17 2.09 0.09 0.00 0.48 0.00 0.00 55.95 58.44 2a1f s SER 14 Cb -0.17 -2.55 0.85 0.00 0.10 0.00 0.00 66.02 64.24 2a1f s SER 14 CO 0.08 -2.69 1.99 1.23 0.98 0.00 0.00 173.24 174.83 2a1f h GLY 15 N -1.48 0.36 2.00 7.32 0.00 -1.91 -2.45 103.07 106.91 2a1f h GLY 15 Ca -0.44 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 46.72 2a1f h GLY 15 CO 0.45 0.17 0.00 1.18 0.00 0.00 0.00 176.54 178.34 2a1f n GLU 16 N -4.37 0.18 0.13 4.80 4.71 -1.26 -1.67 120.64 123.16 2a1f n GLU 16 Ca 0.00 0.48 0.06 0.00 -0.01 0.00 0.00 57.16 57.70 2a1f n GLU 16 Cb 0.18 -1.90 0.53 0.00 -1.01 0.00 0.00 31.44 29.25 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 2.19 1.86 0.00 0.62 0.00 -1.81 -3.11 119.26 119.02 2a1f h ALA 17 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2a1f h ALA 17 Cb 0.27 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2a1f h ALA 17 CO 0.00 0.12 -0.41 1.28 0.00 0.00 0.00 179.25 180.25 2a1f n LEU 18 N -4.51 0.47 -4.80 0.00 4.77 -0.67 -4.93 117.00 107.34 2a1f n LEU 18 Ca 0.00 0.19 -0.34 0.00 -0.03 0.00 0.00 56.01 55.83 2a1f n LEU 18 Cb 0.08 -0.28 -0.05 0.00 -2.33 0.00 0.00 43.42 40.84 2a1f n LEU 18 CO 0.35 0.03 0.70 -1.10 -1.33 0.00 0.00 177.39 176.04 2a1f s GLN 19 N -3.05 4.03 0.20 3.23 -0.21 -1.18 -1.04 119.66 121.65 2a1f s GLN 19 Ca 0.10 1.33 -0.01 0.00 0.02 0.00 0.00 55.36 56.80 2a1f s GLN 19 Cb 0.16 -2.24 0.04 0.00 1.00 0.00 0.00 33.01 31.97 2a1f s GLN 19 CO 0.67 -0.23 0.28 0.41 -2.12 0.00 0.00 175.29 174.29 2a1f n GLY 20 N -0.19 0.28 0.38 3.09 0.00 -1.26 -4.81 105.19 102.69 2a1f n GLY 20 Ca 0.07 -1.91 0.20 0.00 0.00 0.00 0.00 46.02 44.39 2a1f n GLY 20 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2a1f h GLU 21 N 0.00 0.00 0.00 1.61 -0.00 -1.98 1.47 114.58 115.69 2a1f h GLU 21 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.27 2a1f h GLU 21 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.06 2a1f h GLU 21 CO 0.09 0.00 0.00 -0.25 -0.00 0.00 0.00 179.01 178.85 2a1f n ASP 22 N -4.01 0.00 -2.18 3.06 9.92 -1.26 -4.88 116.55 117.20 2a1f n ASP 22 Ca 0.08 -0.98 -0.12 0.00 -0.53 0.00 0.00 54.79 53.24 2a1f n ASP 22 Cb 0.59 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 41.05 2a1f n ASP 22 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2a1f n GLY 23 N 0.23 -0.11 3.21 0.44 0.00 0.50 -4.89 105.19 104.58 2a1f n GLY 23 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 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 -5.11 1.11 0.00 0.99 2.96 -1.26 -4.92 118.68 112.44 2a1f s LEU 24 Ca 0.00 -0.23 0.00 0.00 -0.22 0.00 0.00 54.13 53.68 2a1f s LEU 24 Cb 0.00 1.15 0.00 0.00 0.50 0.00 0.00 46.19 47.84 2a1f s LEU 24 CO 0.00 -0.56 0.00 0.61 -1.32 0.00 0.00 176.35 175.08 2a1f n GLY 25 N 0.76 1.41 3.28 7.98 0.00 -0.83 -4.21 105.19 113.57 2a1f n GLY 25 Ca -0.19 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 44.94 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 2.96 -0.43 -0.61 1.01 -1.26 -3.80 121.20 119.06 2a1f s ILE 26 Ca 0.00 -0.65 -0.22 0.00 0.00 0.00 0.00 60.65 59.78 2a1f s ILE 26 Cb 0.00 -2.30 0.02 0.00 0.01 0.00 0.00 42.46 40.19 2a1f s ILE 26 CO 0.00 0.48 0.72 -0.62 0.00 0.00 0.00 174.94 175.52 2a1f s ASP 27 N 1.14 6.39 0.32 3.58 3.68 -0.20 -4.93 116.67 126.65 2a1f s ASP 27 Ca 0.01 -0.15 0.06 0.00 2.13 0.00 0.00 52.55 54.60 2a1f s ASP 27 Cb -0.14 -2.36 0.70 0.00 -1.45 0.00 0.00 42.92 39.67 2a1f s ASP 27 CO -0.03 -0.83 1.86 -0.65 0.13 0.00 0.00 175.17 175.65 2a1f h PRO 28 N 8.87 0.80 -0.42 4.34 0.11 -1.99 -1.63 132.00 142.08 2a1f h PRO 28 Ca -0.25 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.74 2a1f h PRO 28 Cb 1.09 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.00 2a1f h PRO 28 CO 0.92 0.53 -0.03 0.00 -0.21 0.00 0.00 178.00 179.21 2a1f h ALA 29 N 1.57 1.15 -0.11 -0.75 0.00 -1.96 -0.11 119.26 119.05 2a1f h ALA 29 Ca 0.47 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2a1f h ALA 29 Cb 0.61 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2a1f h ALA 29 CO -0.23 0.55 -0.09 0.82 0.00 0.00 0.00 179.25 180.29 2a1f h ILE 30 N 0.66 1.35 -0.85 0.00 2.04 -1.66 -2.19 117.51 116.86 2a1f h ILE 30 Ca 0.13 -1.22 0.01 0.00 1.00 0.00 0.00 64.86 64.78 2a1f h ILE 30 Cb 0.46 1.92 -0.04 0.00 -0.74 0.00 0.00 36.82 38.42 2a1f h ILE 30 CO 0.02 0.35 0.56 0.25 0.00 0.00 0.00 178.15 179.33 2a1f h LEU 31 N -0.14 0.98 -0.66 1.44 5.85 -1.19 -1.14 115.31 120.44 2a1f h LEU 31 Ca 0.02 -0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.57 2a1f h LEU 31 Cb 0.60 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 2a1f h LEU 31 CO 0.02 0.71 -0.65 0.44 -0.34 0.00 0.00 178.44 178.63 2a1f h ASP 32 N 1.15 0.12 -0.35 1.25 3.45 -0.99 -1.71 116.42 119.33 2a1f h ASP 32 Ca 0.31 -0.07 -0.04 0.00 0.43 0.00 0.00 57.03 57.65 2a1f h ASP 32 Cb -0.13 -0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 38.59 2a1f h ASP 32 CO -0.07 0.73 0.05 -0.09 -1.57 0.00 0.00 179.24 178.29 2a1f h ARG 33 N 0.07 0.59 -1.00 3.56 1.12 -0.80 -2.12 114.38 115.80 2a1f h ARG 33 Ca -0.01 -0.16 0.04 0.00 -1.11 0.00 0.00 59.98 58.74 2a1f h ARG 33 Cb 1.15 -0.07 -0.06 0.00 -0.01 0.00 0.00 29.97 30.99 2a1f h ARG 33 CO 0.09 0.67 0.66 0.52 -3.11 0.00 0.00 179.97 178.80 2a1f h MET 34 N 0.42 1.23 -0.67 0.20 2.86 -1.05 -1.26 114.93 116.65 2a1f h MET 34 Ca 0.11 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.60 2a1f h MET 34 Cb 0.37 -0.28 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 2a1f h MET 34 CO 0.01 0.81 0.14 0.00 1.06 0.00 0.00 176.91 178.93 2a1f h ALA 35 N 1.42 0.98 -0.31 6.32 0.00 -1.13 -0.40 119.26 126.14 2a1f h ALA 35 Ca 0.40 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 2a1f h ALA 35 Cb 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2a1f h ALA 35 CO -0.13 0.65 -0.23 0.28 0.00 0.00 0.00 179.25 179.83 2a1f h VAL 36 N 1.02 1.30 -0.97 0.00 2.07 -0.93 -0.85 116.25 117.89 2a1f h VAL 36 Ca 0.21 -1.38 0.07 0.00 0.82 0.00 0.00 66.70 66.42 2a1f h VAL 36 Cb 0.39 1.51 -0.07 0.00 -1.52 0.00 0.00 31.29 31.60 2a1f h VAL 36 CO 0.01 0.44 0.63 -0.33 0.02 0.00 0.00 177.57 178.34 2a1f h GLU 37 N 0.45 1.09 -0.33 1.57 5.08 -1.03 -2.07 114.58 119.34 2a1f h GLU 37 Ca 0.06 -0.07 -0.17 0.00 -1.00 0.00 0.00 59.36 58.18 2a1f h GLU 37 Cb 0.78 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 2a1f h GLU 37 CO 0.06 0.72 -0.47 0.82 -1.00 0.00 0.00 179.01 179.14 2a1f h ILE 38 N 1.12 1.27 -0.74 3.13 2.04 -0.96 -3.11 117.51 120.26 2a1f h ILE 38 Ca 0.42 -1.65 0.09 0.00 1.00 0.00 0.00 64.86 64.72 2a1f h ILE 38 Cb 0.19 1.51 -0.07 0.00 -0.74 0.00 0.00 36.82 37.71 2a1f h ILE 38 CO -0.17 0.54 0.39 0.50 0.00 0.00 0.00 178.15 179.42 2a1f h LYS 39 N 0.71 0.65 -0.05 2.37 3.64 -0.74 -1.68 116.57 121.47 2a1f h LYS 39 Ca 0.04 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 2a1f h LYS 39 Cb 1.07 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.72 2a1f h LYS 39 CO 0.11 0.43 -0.42 1.05 -2.27 0.00 0.00 179.45 178.35 2a1f h GLU 40 N 0.67 0.11 -0.25 1.90 4.11 -1.33 0.03 114.58 119.83 2a1f h GLU 40 Ca 0.36 -0.05 -0.03 0.00 0.07 0.00 0.00 59.36 59.70 2a1f h GLU 40 Cb 0.34 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2a1f h GLU 40 CO -0.25 0.52 0.04 -0.07 0.07 0.00 0.00 179.01 179.32 2a1f h LEU 41 N 0.09 0.41 -0.20 3.06 3.38 -1.41 -1.19 115.31 119.45 2a1f h LEU 41 Ca 0.01 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 57.76 2a1f h LEU 41 Cb 0.79 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.38 2a1f h LEU 41 CO 0.06 0.57 -0.18 0.58 0.09 0.00 0.00 178.44 179.56 2a1f h VAL 42 N 0.23 0.53 0.00 1.22 2.07 -0.90 -1.34 116.25 118.06 2a1f h VAL 42 Ca 0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.60 2a1f h VAL 42 Cb 0.34 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2a1f h VAL 42 CO 0.01 0.00 0.00 1.05 0.02 0.00 0.00 177.57 178.65 2a1f h GLU 43 N -0.19 0.00 0.00 1.57 4.11 -0.97 0.15 114.58 119.26 2a1f h GLU 43 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.55 2a1f h GLU 43 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2a1f h GLU 43 CO -0.31 0.00 0.00 -1.33 0.07 0.00 0.00 179.01 177.44 2a1f n MET 44 N -2.69 0.00 -0.41 1.06 2.81 -0.46 -4.93 117.12 112.51 2a1f n MET 44 Ca 0.01 0.20 0.00 0.00 -1.81 0.00 0.00 57.70 56.10 2a1f n MET 44 Cb 0.27 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.27 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 0.31 0.76 3.75 3.03 0.00 0.54 -4.86 105.19 108.72 2a1f n GLY 45 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.29 4.07 -0.31 1.61 1.01 -0.69 -4.99 120.40 118.81 2a1f s VAL 46 Ca 0.00 1.99 -0.22 0.00 0.00 0.00 0.00 61.98 63.75 2a1f s VAL 46 Cb 0.00 -4.27 -0.00 0.00 0.00 0.00 0.00 36.38 32.11 2a1f s VAL 46 CO 0.00 0.44 0.69 -1.61 0.00 0.00 0.00 175.10 174.62 2a1f s GLU 47 N -0.94 3.92 -0.21 2.72 2.02 -0.35 -4.15 118.70 121.71 2a1f s GLU 47 Ca 0.43 0.41 -0.03 0.00 0.02 0.00 0.00 54.97 55.80 2a1f s GLU 47 Cb -0.26 -3.73 -0.01 0.00 0.10 0.00 0.00 34.13 30.23 2a1f s GLU 47 CO 0.33 -0.62 -0.07 0.08 0.02 0.00 0.00 175.26 175.00 2a1f s VAL 48 N 2.75 3.19 0.17 2.63 1.01 -1.26 -1.59 120.40 127.31 2a1f s VAL 48 Ca 0.28 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 61.76 2a1f s VAL 48 Cb -0.15 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 2a1f s VAL 48 CO 0.12 0.45 0.08 -0.94 0.00 0.00 0.00 175.10 174.80 2a1f s SER 49 N 1.33 5.18 -0.03 3.32 1.04 -0.80 -2.04 113.70 121.70 2a1f s SER 49 Ca 0.04 -0.26 0.01 0.00 0.48 0.00 0.00 55.95 56.22 2a1f s SER 49 Cb -0.14 -1.24 0.01 0.00 0.10 0.00 0.00 66.02 64.75 2a1f s SER 49 CO -0.04 0.07 -0.04 -0.69 0.98 0.00 0.00 173.24 173.52 2a1f s VAL 50 N -1.77 0.44 -0.16 5.02 1.01 0.91 -1.36 120.40 124.50 2a1f s VAL 50 Ca 0.30 -0.13 -0.00 0.00 0.00 0.00 0.00 61.98 62.14 2a1f s VAL 50 Cb -0.10 -0.45 -0.01 0.00 0.00 0.00 0.00 36.38 35.83 2a1f s VAL 50 CO 0.21 0.18 -0.13 -0.69 0.00 0.00 0.00 175.10 174.66 2a1f s VAL 51 N 0.54 2.86 -0.01 2.92 1.01 -0.46 0.43 120.40 127.69 2a1f s VAL 51 Ca -0.06 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.27 2a1f s VAL 51 Cb -0.10 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 2a1f s VAL 51 CO -0.00 0.51 -0.17 -0.76 0.00 0.00 0.00 175.10 174.67 2a1f s LEU 52 N 0.77 2.59 0.00 3.92 1.02 -1.24 -1.08 118.68 124.65 2a1f s LEU 52 Ca -0.05 -0.33 -0.08 0.00 0.02 0.00 0.00 54.13 53.69 2a1f s LEU 52 Cb -0.15 -1.52 0.14 0.00 0.02 0.00 0.00 46.19 44.68 2a1f s LEU 52 CO 0.01 0.30 0.88 0.61 0.02 0.00 0.00 176.35 178.17 2a1f n GLY 53 N 1.99 -0.61 0.02 -3.19 0.00 -0.25 -4.82 105.19 98.34 2a1f n GLY 53 Ca -0.16 -1.82 0.01 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.05 1.08 0.23 -0.02 0.00 -1.26 -3.70 105.19 100.46 2a1f n GLY 54 Ca 0.12 -0.07 0.16 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.87 -0.03 103.07 103.15 2a1f h GLY 55 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2a1f h GLY 55 CO 0.00 0.00 -0.01 3.45 0.00 0.00 0.00 176.54 179.98 2a1f h ASN 56 N 0.00 0.00 0.00 0.19 -1.07 -1.89 -3.34 115.58 109.47 2a1f h ASN 56 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 56.30 56.28 2a1f h ASN 56 Cb 0.37 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.61 2a1f h ASN 56 CO 0.00 0.01 -1.55 0.18 0.07 0.00 0.00 177.43 176.14 2a1f n LEU 57 N -3.12 0.00 -3.67 6.14 4.77 -0.12 -1.96 117.00 119.03 2a1f n LEU 57 Ca -0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 2a1f n LEU 57 Cb 0.25 0.12 -0.10 0.00 -2.33 0.00 0.00 43.42 41.35 2a1f n LEU 57 CO 0.26 0.12 0.06 0.12 -1.33 0.00 0.00 177.39 176.61 2a1f s PHE 58 N -2.46 -0.75 -0.11 -1.77 5.36 -0.65 -5.01 117.98 112.58 2a1f s PHE 58 Ca -0.04 1.49 0.01 0.00 -0.96 0.00 0.00 56.93 57.43 2a1f s PHE 58 Cb 0.05 0.32 0.02 0.00 -0.34 0.00 0.00 43.02 43.06 2a1f s PHE 58 CO 0.40 -0.44 -0.14 1.03 -1.46 0.00 0.00 175.22 174.61 2a1f s ARG 59 N 2.12 2.09 0.00 10.12 1.81 -1.26 -4.16 118.95 129.67 2a1f s ARG 59 Ca -0.05 -0.51 0.20 0.00 -1.72 0.00 0.00 55.73 53.65 2a1f s ARG 59 Cb -0.10 -1.83 0.65 0.00 -0.45 0.00 0.00 34.95 33.22 2a1f s ARG 59 CO -0.13 -0.10 1.50 0.41 -0.68 0.00 0.00 175.30 176.29 2a1f n GLY 60 N 4.32 0.58 0.20 -3.53 0.00 -1.26 -4.56 105.19 100.93 2a1f n GLY 60 Ca -0.18 -0.47 -0.05 0.00 0.00 0.00 0.00 46.02 45.31 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 4.10 0.61 -0.32 4.61 0.00 -1.98 0.29 119.26 126.57 2a1f h ALA 61 Ca 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2a1f h ALA 61 Cb 0.58 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2a1f h ALA 61 CO 0.00 -0.10 0.04 0.87 0.00 0.00 0.00 179.25 180.06 2a1f h LYS 62 N 0.49 0.55 -0.86 0.00 1.57 -1.99 0.68 116.57 117.00 2a1f h LYS 62 Ca 0.21 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 2a1f h LYS 62 Cb 0.10 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 2a1f h LYS 62 CO -0.14 0.65 0.43 -0.07 -0.57 0.00 0.00 179.45 179.75 2a1f h LEU 63 N 0.36 1.12 -0.61 2.94 3.38 -1.81 -1.00 115.31 119.69 2a1f h LEU 63 Ca 0.10 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2a1f h LEU 63 Cb 0.38 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2a1f h LEU 63 CO 0.01 0.93 0.30 0.00 0.09 0.00 0.00 178.44 179.76 2a1f h ALA 64 N 1.23 0.79 -0.16 1.53 0.00 -0.15 -0.09 119.26 122.40 2a1f h ALA 64 Ca 0.30 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 2a1f h ALA 64 Cb 0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2a1f h ALA 64 CO -0.04 0.35 -0.16 -0.22 0.00 0.00 0.00 179.25 179.17 2a1f h LYS 65 N 0.84 0.27 0.00 0.00 1.63 -0.60 -0.59 116.57 118.12 2a1f h LYS 65 Ca 0.21 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.94 2a1f h LYS 65 Cb 0.11 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 2a1f h LYS 65 CO -0.03 0.44 0.00 0.00 -3.45 0.00 0.00 179.45 176.41 2a1f n ALA 66 N -2.49 1.96 0.00 5.00 0.00 -0.40 -4.88 120.51 119.70 2a1f n ALA 66 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2a1f n ALA 66 Cb 0.30 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 0.61 1.10 3.72 0.00 0.00 -0.23 -5.07 105.19 105.33 2a1f n GLY 67 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.88 2.51 -1.70 1.61 0.00 -0.10 -4.92 117.12 113.65 2a1f n MET 68 Ca 0.00 0.90 -0.44 0.00 0.00 0.00 0.00 57.70 58.16 2a1f n MET 68 Cb 0.00 -2.66 -0.03 0.00 0.00 0.00 0.00 33.22 30.53 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 2.44 3.72 0.05 6.12 4.05 -1.26 -4.64 115.26 125.74 2a1f n ASN 69 Ca 0.11 1.05 0.05 0.00 0.45 0.00 0.00 54.58 56.24 2a1f n ASN 69 Cb 0.35 -1.52 0.47 0.00 1.23 0.00 0.00 39.78 40.31 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 6.95 0.42 -0.89 1.20 9.65 -1.98 -1.61 114.38 128.12 2a1f h ARG 70 Ca -0.44 -0.03 0.03 0.00 -1.10 0.00 0.00 59.98 58.45 2a1f h ARG 70 Cb 1.22 -0.09 -0.05 0.00 -1.39 0.00 0.00 29.97 29.66 2a1f h ARG 70 CO 0.93 0.28 0.58 0.28 2.80 0.00 0.00 179.97 184.84 2a1f h VAL 71 N 0.43 1.14 -0.40 0.20 2.07 -1.99 -0.36 116.25 117.34 2a1f h VAL 71 Ca 0.13 -0.38 -0.14 0.00 0.82 0.00 0.00 66.70 67.13 2a1f h VAL 71 Cb -0.00 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.69 2a1f h VAL 71 CO -0.03 0.20 -0.30 0.58 0.02 0.00 0.00 177.57 178.05 2a1f h VAL 72 N 1.12 1.28 -0.77 2.57 2.07 -1.69 -0.80 116.25 120.02 2a1f h VAL 72 Ca 0.36 -1.46 -0.00 0.00 0.82 0.00 0.00 66.70 66.41 2a1f h VAL 72 Cb 0.01 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 2a1f h VAL 72 CO -0.12 0.49 0.48 1.23 0.02 0.00 0.00 177.57 179.67 2a1f h GLY 73 N 0.72 1.10 1.03 2.17 0.00 -1.12 -1.19 103.07 105.78 2a1f h GLY 73 Ca 0.08 -0.45 -0.10 0.00 0.00 0.00 0.00 47.33 46.86 2a1f h GLY 73 CO 0.08 0.43 -0.09 -0.55 0.00 0.00 0.00 176.54 176.41 2a1f h ASP 74 N 1.05 0.89 -0.74 0.19 3.32 -0.89 -1.82 116.42 118.41 2a1f h ASP 74 Ca 0.28 -0.35 0.02 0.00 0.02 0.00 0.00 57.03 57.00 2a1f h ASP 74 Cb -0.06 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.20 2a1f h ASP 74 CO -0.05 1.03 0.48 0.45 -1.72 0.00 0.00 179.24 179.43 2a1f h HIS 75 N 0.74 0.91 -0.54 4.55 3.86 -0.91 -0.46 115.15 123.29 2a1f h HIS 75 Ca 0.12 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.36 2a1f h HIS 75 Cb 0.63 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 28.77 2a1f h HIS 75 CO 0.05 0.54 0.35 0.52 0.86 0.00 0.00 177.93 180.25 2a1f h MET 76 N 0.96 0.70 -0.75 2.45 2.86 -1.08 -2.36 114.93 117.71 2a1f h MET 76 Ca 0.29 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.86 2a1f h MET 76 Cb -0.05 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.42 2a1f h MET 76 CO -0.09 0.46 0.37 0.78 1.06 0.00 0.00 176.91 179.49 2a1f h GLY 77 N 0.72 1.14 1.02 8.32 0.00 -0.75 -1.93 103.07 111.60 2a1f h GLY 77 Ca 0.20 -0.54 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 2a1f h GLY 77 CO -0.05 0.52 0.37 -0.33 0.00 0.00 0.00 176.54 177.05 2a1f h MET 78 N 1.06 1.10 -0.68 4.80 2.86 -0.78 -2.20 114.93 121.09 2a1f h MET 78 Ca 0.26 -0.16 -0.03 0.00 -2.06 0.00 0.00 59.70 57.71 2a1f h MET 78 Cb 0.09 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 2a1f h MET 78 CO -0.03 0.85 0.30 -0.07 1.06 0.00 0.00 176.91 179.02 2a1f h LEU 79 N 1.08 0.92 -1.49 1.22 3.38 -1.14 -2.65 115.31 116.62 2a1f h LEU 79 Ca 0.26 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.13 2a1f h LEU 79 Cb 0.11 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 2a1f h LEU 79 CO -0.03 0.82 0.41 0.00 0.09 0.00 0.00 178.44 179.72 2a1f h ALA 80 N 1.14 1.76 -0.13 1.53 0.00 -1.05 -1.89 119.26 120.62 2a1f h ALA 80 Ca 0.23 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 2a1f h ALA 80 Cb 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2a1f h ALA 80 CO -0.02 0.15 -0.32 1.79 0.00 0.00 0.00 179.25 180.85 2a1f h THR 81 N 0.64 1.27 -0.42 0.00 1.35 -1.05 -2.24 112.91 112.46 2a1f h THR 81 Ca 0.26 -1.29 -0.05 0.00 -0.55 0.00 0.00 66.41 64.78 2a1f h THR 81 Cb 0.21 1.52 -0.02 0.00 -1.73 0.00 0.00 68.15 68.13 2a1f h THR 81 CO -0.08 0.39 0.09 0.58 -0.25 0.00 0.00 175.52 176.25 2a1f h VAL 82 N 0.23 1.24 -0.28 6.82 2.07 -1.18 -0.43 116.25 124.72 2a1f h VAL 82 Ca 0.03 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 66.72 2a1f h VAL 82 Cb 0.68 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 2a1f h VAL 82 CO 0.05 0.29 0.16 0.24 0.02 0.00 0.00 177.57 178.34 2a1f h MET 83 N 0.55 0.33 -0.75 1.57 2.86 -1.37 0.11 114.93 118.22 2a1f h MET 83 Ca 0.13 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.78 2a1f h MET 83 Cb 0.34 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.88 2a1f h MET 83 CO 0.00 0.22 0.48 -0.91 1.06 0.00 0.00 176.91 177.76 2a1f h ASN 84 N 0.34 0.79 -0.50 1.22 2.35 -1.35 -2.43 115.58 116.00 2a1f h ASN 84 Ca 0.11 -0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.80 2a1f h ASN 84 Cb -0.01 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.16 2a1f h ASN 84 CO -0.05 0.55 0.14 1.23 -1.65 0.00 0.00 177.43 177.65 2a1f h GLY 85 N 0.94 0.92 1.20 2.83 0.00 -0.46 -1.52 103.07 106.97 2a1f h GLY 85 Ca 0.30 -0.53 -0.07 0.00 0.00 0.00 0.00 47.33 47.03 2a1f h GLY 85 CO -0.11 0.50 0.08 1.41 0.00 0.00 0.00 176.54 178.42 2a1f h LEU 86 N 0.82 0.94 -0.44 3.11 3.38 -0.61 -0.80 115.31 121.71 2a1f h LEU 86 Ca 0.18 -0.22 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 2a1f h LEU 86 Cb 0.29 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2a1f h LEU 86 CO -0.00 0.95 -0.31 0.00 0.09 0.00 0.00 178.44 179.17 2a1f h ALA 87 N 1.16 0.63 -0.35 1.53 0.00 -0.97 -2.07 119.26 119.19 2a1f h ALA 87 Ca 0.18 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 2a1f h ALA 87 Cb 0.43 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2a1f h ALA 87 CO 0.01 0.68 -0.08 1.98 0.00 0.00 0.00 179.25 181.84 2a1f h MET 88 N 0.81 0.67 -0.61 0.00 1.85 -1.15 -0.55 114.93 115.95 2a1f h MET 88 Ca 0.08 -0.25 0.04 0.00 -0.61 0.00 0.00 59.70 58.97 2a1f h MET 88 Cb 0.90 -0.04 -0.05 0.00 0.43 0.00 0.00 31.60 32.84 2a1f h MET 88 CO 0.08 0.83 0.34 -0.09 -0.40 0.00 0.00 176.91 177.68 2a1f h ARG 89 N 0.46 0.64 -0.44 0.39 2.43 -1.08 0.13 114.38 116.92 2a1f h ARG 89 Ca 0.09 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.09 2a1f h ARG 89 Cb 0.58 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 2a1f h ARG 89 CO 0.03 0.42 -0.24 0.22 -1.51 0.00 0.00 179.97 178.90 2a1f h ASP 90 N 0.66 0.94 -0.82 -3.80 3.58 -1.24 -1.80 116.42 113.93 2a1f h ASP 90 Ca 0.26 -0.36 -0.03 0.00 0.42 0.00 0.00 57.03 57.33 2a1f h ASP 90 Cb 0.11 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 40.87 2a1f h ASP 90 CO -0.15 1.13 0.41 -1.28 -2.88 0.00 0.00 179.24 176.47 2a1f h SER 91 N 0.78 1.06 -0.35 2.28 0.87 -0.53 -1.90 113.55 115.77 2a1f h SER 91 Ca 0.10 -0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.50 2a1f h SER 91 Cb 0.80 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 2a1f h SER 91 CO 0.07 0.89 0.08 -0.07 -0.53 0.00 0.00 176.83 177.27 2a1f h LEU 92 N 1.16 0.54 -0.73 2.23 3.38 -0.59 -1.96 115.31 119.34 2a1f h LEU 92 Ca 0.28 -0.23 0.10 0.00 0.09 0.00 0.00 57.88 58.12 2a1f h LEU 92 Cb 0.09 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.63 2a1f h LEU 92 CO -0.04 0.63 0.36 0.15 0.09 0.00 0.00 178.44 179.63 2a1f h PHE 93 N 0.42 0.64 0.00 1.13 3.57 -1.12 0.55 116.94 122.13 2a1f h PHE 93 Ca 0.11 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 2a1f h PHE 93 Cb 0.30 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 2a1f h PHE 93 CO 0.02 0.22 -0.08 0.00 -2.23 0.00 0.00 178.31 176.24 2a1f h ARG 94 N 0.60 0.00 -0.38 1.11 3.08 -1.10 -0.20 114.38 117.49 2a1f h ARG 94 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.42 2a1f h ARG 94 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 2a1f h ARG 94 CO -0.29 0.08 0.00 0.00 -1.07 0.00 0.00 179.97 178.69 2a1f n ALA 95 N -2.14 2.49 -3.67 0.04 0.00 -0.70 -4.95 120.51 111.59 2a1f n ALA 95 Ca 0.00 -0.63 -0.21 0.00 0.00 0.00 0.00 53.44 52.60 2a1f n ALA 95 Cb 0.35 -0.98 0.04 0.00 0.00 0.00 0.00 19.45 18.87 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 0.50 -1.64 -4.21 0.00 9.92 -0.09 -5.01 116.55 116.02 2a1f n ASP 96 Ca 0.12 -0.78 -0.32 0.00 -0.53 0.00 0.00 54.79 53.28 2a1f n ASP 96 Cb 0.32 -4.25 -0.17 0.00 -0.64 0.00 0.00 41.12 36.39 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 -3.59 2.17 -0.07 2.53 1.01 0.10 -5.01 120.40 117.54 2a1f s VAL 97 Ca 0.06 -0.97 -0.30 0.00 0.00 0.00 0.00 61.98 60.77 2a1f s VAL 97 Cb -0.03 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 2a1f s VAL 97 CO 0.80 0.55 1.66 0.21 0.00 0.00 0.00 175.10 178.31 2a1f s ASN 98 N 0.55 6.62 0.03 3.32 3.84 -1.26 -3.62 114.94 124.42 2a1f s ASN 98 Ca -0.13 2.16 -0.05 0.00 0.21 0.00 0.00 52.86 55.05 2a1f s ASN 98 Cb -0.17 -2.53 -0.01 0.00 -0.55 0.00 0.00 41.25 37.99 2a1f s ASN 98 CO 0.04 -0.97 0.09 0.00 -2.79 0.00 0.00 177.10 173.47 2a1f s ALA 99 N 4.21 -0.11 0.01 1.71 0.00 -1.26 -1.36 121.76 124.96 2a1f s ALA 99 Ca 0.73 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 52.25 2a1f s ALA 99 Cb -0.32 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 2a1f s ALA 99 CO 0.29 -0.27 -0.03 0.15 0.00 0.00 0.00 175.76 175.91 2a1f s LYS 100 N -2.14 0.22 -0.18 0.00 -0.14 -0.55 -4.94 119.74 112.00 2a1f s LYS 100 Ca -0.09 -0.28 -0.05 0.00 -1.36 0.00 0.00 55.97 54.19 2a1f s LYS 100 Cb -0.04 -0.07 -0.03 0.00 -1.68 0.00 0.00 37.83 36.01 2a1f s LYS 100 CO -0.02 0.01 -0.01 -1.17 -0.76 0.00 0.00 175.35 173.39 2a1f s LEU 101 N -0.60 3.30 0.10 3.17 2.96 -1.26 -1.16 118.68 125.19 2a1f s LEU 101 Ca -0.05 -0.14 0.08 0.00 -0.22 0.00 0.00 54.13 53.80 2a1f s LEU 101 Cb -0.04 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 2a1f s LEU 101 CO -0.00 0.12 -0.15 -0.04 -1.32 0.00 0.00 176.35 174.96 2a1f s MET 102 N 0.64 1.95 -0.01 1.98 -1.94 0.42 -1.54 119.30 120.79 2a1f s MET 102 Ca -0.01 -1.09 0.03 0.00 -1.71 0.00 0.00 55.69 52.91 2a1f s MET 102 Cb -0.14 -2.19 -0.01 0.00 2.01 0.00 0.00 34.83 34.50 2a1f s MET 102 CO 0.02 0.50 -0.11 0.45 -0.01 0.00 0.00 175.02 175.87 2a1f s SER 103 N -2.03 1.37 0.34 3.03 0.15 -0.54 -0.82 113.70 115.20 2a1f s SER 103 Ca 0.18 -0.21 0.08 0.00 0.70 0.00 0.00 55.95 56.70 2a1f s SER 103 Cb -0.11 -0.19 0.77 0.00 -1.71 0.00 0.00 66.02 64.79 2a1f s SER 103 CO 0.10 0.13 1.87 0.00 1.20 0.00 0.00 173.24 176.54 2a1f h ALA 104 N 5.94 1.78 -2.67 5.45 0.00 -1.51 0.53 119.26 128.78 2a1f h ALA 104 Ca -0.33 0.01 -0.64 0.00 0.00 0.00 0.00 54.91 53.96 2a1f h ALA 104 Cb 1.17 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 2a1f h ALA 104 CO 0.49 -0.01 -0.35 -0.06 0.00 0.00 0.00 179.25 179.32 2a1f s PHE 105 N -5.72 3.65 -0.05 0.00 2.99 -1.26 -4.76 117.98 112.83 2a1f s PHE 105 Ca -0.10 0.73 -0.36 0.00 0.00 0.00 0.00 56.93 57.20 2a1f s PHE 105 Cb 0.22 -2.09 -0.14 0.00 0.00 0.00 0.00 43.02 41.01 2a1f s PHE 105 CO 0.79 0.68 1.71 0.94 -0.00 0.00 0.00 175.22 179.33 2a1f n GLN 106 N 1.75 1.80 -3.54 0.44 7.27 -1.26 -4.83 117.38 119.01 2a1f n GLN 106 Ca -0.16 0.66 -0.27 0.00 0.07 0.00 0.00 57.00 57.30 2a1f n GLN 106 Cb 0.54 -2.42 -0.10 0.00 2.41 0.00 0.00 30.24 30.66 2a1f n GLN 106 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2a1f n LEU 107 N 5.05 1.28 -4.71 1.69 4.77 -1.26 -5.10 117.00 118.73 2a1f n LEU 107 Ca 0.22 -4.82 -0.43 0.00 -0.03 0.00 0.00 56.01 50.94 2a1f n LEU 107 Cb 0.24 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 2a1f n LEU 107 CO 0.71 1.88 1.24 0.59 -1.33 0.00 0.00 177.39 180.48 2a1f n ASN 108 N 2.12 3.55 0.00 -1.43 5.03 -1.26 -1.18 115.26 122.08 2a1f n ASN 108 Ca 0.25 1.10 0.00 0.00 0.87 0.00 0.00 54.58 56.80 2a1f n ASN 108 Cb 0.43 -1.52 0.00 0.00 -1.02 0.00 0.00 39.78 37.67 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 3.08 2.74 0.24 7.41 0.00 -1.26 -4.85 105.19 112.55 2a1f n GLY 109 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 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 1.37 -3.58 -0.61 5.41 -0.33 -5.11 119.36 114.51 2a1f n ILE 110 Ca 0.00 -0.23 -0.06 0.00 1.00 0.00 0.00 62.75 63.46 2a1f n ILE 110 Cb 0.00 -1.92 0.00 0.00 -0.71 0.00 0.00 39.64 37.01 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 -2.05 6.25 0.01 0.00 1.11 -0.59 -4.59 116.67 116.82 2a1f s ASP 112 Ca 0.11 1.64 -0.21 0.00 0.18 0.00 0.00 52.55 54.26 2a1f s ASP 112 Cb -0.02 -2.51 -0.05 0.00 1.07 0.00 0.00 42.92 41.41 2a1f s ASP 112 CO 0.08 -0.85 0.63 -0.89 1.18 0.00 0.00 175.17 175.32 2a1f s THR 113 N -2.65 4.86 0.25 -1.27 2.01 -1.26 -1.47 115.64 116.10 2a1f s THR 113 Ca 0.60 1.33 -0.31 0.00 0.31 0.00 0.00 61.69 63.61 2a1f s THR 113 Cb -0.12 -3.97 -0.12 0.00 0.01 0.00 0.00 72.50 68.30 2a1f s THR 113 CO 0.37 0.42 1.58 0.00 -0.69 0.00 0.00 174.62 176.29 2a1f n TYR 114 N 2.67 2.60 -3.54 4.92 9.36 0.18 -4.74 117.16 128.61 2a1f n TYR 114 Ca -0.06 0.25 -0.05 0.00 3.32 0.00 0.00 57.90 61.36 2a1f n TYR 114 Cb 0.51 -2.57 -0.07 0.00 -0.63 0.00 0.00 39.34 36.57 2a1f n TYR 114 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 2a1f s ASN 115 N 0.64 -0.53 0.24 2.98 3.84 -1.26 -4.99 114.94 115.87 2a1f s ASN 115 Ca 0.69 0.99 -0.06 0.00 0.21 0.00 0.00 52.86 54.69 2a1f s ASN 115 Cb -0.56 1.64 0.30 0.00 -0.55 0.00 0.00 41.25 42.09 2a1f s ASN 115 CO 0.44 -0.24 1.87 4.11 -2.79 0.00 0.00 177.10 180.48 2a1f h TRP 116 N 8.11 1.03 -0.15 0.43 5.08 -1.95 -0.65 115.95 127.86 2a1f h TRP 116 Ca -0.18 0.03 -0.21 0.00 1.08 0.00 0.00 58.89 59.61 2a1f h TRP 116 Cb 1.12 -0.34 0.01 0.00 -3.00 0.00 0.00 29.16 26.95 2a1f h TRP 116 CO 0.20 0.56 -0.74 0.66 -1.28 0.00 0.00 178.44 177.84 2a1f h SER 117 N 1.04 0.91 -0.59 0.11 4.64 -1.98 -2.07 113.55 115.62 2a1f h SER 117 Ca 0.36 -0.63 -0.03 0.00 -0.47 0.00 0.00 61.79 61.02 2a1f h SER 117 Cb 0.09 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 61.88 2a1f h SER 117 CO -0.15 1.39 0.25 -0.33 -0.87 0.00 0.00 176.83 177.13 2a1f h GLU 118 N 0.49 0.91 -0.04 4.77 4.39 -1.93 -1.17 114.58 122.00 2a1f h GLU 118 Ca -0.05 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.51 2a1f h GLU 118 Cb 1.38 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 29.87 2a1f h GLU 118 CO 0.15 0.74 0.02 0.00 -1.16 0.00 0.00 179.01 178.77 2a1f h ALA 119 N 1.38 0.05 -0.64 3.43 0.00 -0.96 -1.14 119.26 121.37 2a1f h ALA 119 Ca 0.21 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.13 2a1f h ALA 119 Cb 0.17 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 2a1f h ALA 119 CO -0.02 -0.41 0.36 0.82 0.00 0.00 0.00 179.25 180.00 2a1f h ILE 120 N -0.03 0.97 -0.55 0.00 2.04 -1.27 -0.75 117.51 117.93 2a1f h ILE 120 Ca 0.01 -0.23 0.07 0.00 1.00 0.00 0.00 64.86 65.72 2a1f h ILE 120 Cb 0.09 0.25 -0.06 0.00 -0.74 0.00 0.00 36.82 36.36 2a1f h ILE 120 CO -0.00 0.12 0.21 0.11 0.00 0.00 0.00 178.15 178.59 2a1f h LYS 121 N 0.66 0.40 -0.62 2.37 1.57 -0.99 -0.22 116.57 119.74 2a1f h LYS 121 Ca 0.29 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.99 2a1f h LYS 121 Cb 0.17 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 2a1f h LYS 121 CO -0.17 0.26 0.19 0.52 -0.57 0.00 0.00 179.45 179.68 2a1f h MET 122 N 0.41 0.97 -0.48 3.15 2.86 -0.68 -1.46 114.93 119.69 2a1f h MET 122 Ca 0.26 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 2a1f h MET 122 Cb 0.28 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 2a1f h MET 122 CO -0.25 0.86 0.23 -0.07 1.06 0.00 0.00 176.91 178.74 2a1f h LEU 123 N 0.89 0.63 -1.69 1.22 3.38 -0.75 -1.42 115.31 117.57 2a1f h LEU 123 Ca 0.20 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2a1f h LEU 123 Cb 0.29 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2a1f h LEU 123 CO -0.01 0.58 -0.18 0.03 0.09 0.00 0.00 178.44 178.95 2a1f h ARG 124 N 0.63 0.00 0.00 1.13 3.08 -0.96 -0.29 114.38 117.98 2a1f h ARG 124 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2a1f h ARG 124 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2a1f h ARG 124 CO -0.02 0.18 0.00 0.39 -1.07 0.00 0.00 179.97 179.45 2a1f n GLU 125 N -3.87 0.78 -2.14 0.04 1.02 -0.56 -4.90 120.64 111.01 2a1f n GLU 125 Ca -0.02 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.96 2a1f n GLU 125 Cb 0.28 -1.30 -0.02 0.00 -0.02 0.00 0.00 31.44 30.38 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 -0.80 -1.24 -3.14 3.49 5.02 -0.12 -5.03 118.16 116.35 2a1f n LYS 126 Ca 0.11 0.83 -0.38 0.00 -2.02 0.00 0.00 58.31 56.85 2a1f n LYS 126 Cb 0.05 -5.17 -0.06 0.00 -0.02 0.00 0.00 35.03 29.83 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 -4.52 4.32 -0.06 1.97 0.52 -0.63 -4.84 118.95 115.72 2a1f s ARG 127 Ca 0.00 0.89 -0.30 0.00 -0.52 0.00 0.00 55.73 55.80 2a1f s ARG 127 Cb 0.00 -3.13 -0.03 0.00 0.52 0.00 0.00 34.95 32.32 2a1f s ARG 127 CO 0.00 0.54 1.13 0.08 0.02 0.00 0.00 175.30 177.07 2a1f s VAL 128 N -1.26 4.43 -0.19 3.52 1.01 -0.47 -4.14 120.40 123.30 2a1f s VAL 128 Ca 0.36 1.73 -0.04 0.00 0.00 0.00 0.00 61.98 64.02 2a1f s VAL 128 Cb -0.20 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 2a1f s VAL 128 CO 0.22 0.02 -0.02 -0.69 0.00 0.00 0.00 175.10 174.63 2a1f s VAL 129 N 2.02 3.84 -0.19 2.92 1.01 -0.87 -1.48 120.40 127.66 2a1f s VAL 129 Ca 0.54 -0.35 -0.09 0.00 0.00 0.00 0.00 61.98 62.07 2a1f s VAL 129 Cb -0.23 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.38 2a1f s VAL 129 CO 0.21 0.44 0.10 -0.63 0.00 0.00 0.00 175.10 175.23 2a1f s ILE 130 N 0.90 5.16 -0.21 2.22 1.01 -0.31 -0.06 121.20 129.92 2a1f s ILE 130 Ca 0.00 0.10 -0.06 0.00 0.00 0.00 0.00 60.65 60.70 2a1f s ILE 130 Cb -0.14 -3.34 -0.03 0.00 0.01 0.00 0.00 42.46 38.96 2a1f s ILE 130 CO 0.02 0.45 0.02 -0.36 0.00 0.00 0.00 174.94 175.07 2a1f s PHE 131 N 0.32 3.07 0.35 3.97 2.99 0.17 -0.44 117.98 128.41 2a1f s PHE 131 Ca 0.06 -0.38 0.03 0.00 0.00 0.00 0.00 56.93 56.64 2a1f s PHE 131 Cb -0.12 -2.12 -0.05 0.00 0.00 0.00 0.00 43.02 40.74 2a1f s PHE 131 CO -0.01 -0.22 0.08 -1.54 -0.00 0.00 0.00 175.22 173.53 2a1f s SER 132 N 1.06 2.44 -1.08 1.36 1.04 0.00 -3.70 113.70 114.83 2a1f s SER 132 Ca 0.03 -1.47 0.00 0.00 0.48 0.00 0.00 55.95 54.99 2a1f s SER 132 Cb -0.14 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.09 2a1f s SER 132 CO 0.02 -0.71 0.00 0.00 0.98 0.00 0.00 173.24 173.53 2a1f n ALA 133 N -0.75 -0.15 -0.75 5.32 0.00 -1.25 -1.50 120.51 121.43 2a1f n ALA 133 Ca -0.04 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2a1f n ALA 133 Cb 0.66 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 -1.72 3.38 1.01 0.00 0.00 -1.26 -1.36 105.19 105.24 2a1f n GLY 134 Ca -0.10 -0.05 0.10 0.00 0.00 0.00 0.00 46.02 45.97 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 0.48 -0.12 2.61 -2.24 -1.26 -4.55 114.28 109.20 2a1f n THR 135 Ca 0.00 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 2a1f n THR 135 Cb 0.00 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 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 1.28 1.32 3.41 3.38 0.00 -0.46 -5.00 105.19 109.12 2a1f n GLY 136 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.00 3.49 0.93 1.61 0.01 -1.26 -5.06 114.94 111.66 2a1f s ASN 137 Ca 0.00 -0.55 -0.12 0.00 -0.71 0.00 0.00 52.86 51.48 2a1f s ASN 137 Cb 0.00 -0.43 0.15 0.00 0.41 0.00 0.00 41.25 41.38 2a1f s ASN 137 CO 0.00 0.24 1.13 -2.16 -1.51 0.00 0.00 177.10 174.80 2a1f s PRO 138 N -1.50 0.99 -1.39 -0.60 0.04 -1.26 -4.30 135.00 126.97 2a1f s PRO 138 Ca 0.14 0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.52 2a1f s PRO 138 Cb -0.10 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2a1f s PRO 138 CO 0.04 -2.31 0.00 1.19 0.04 0.00 0.00 177.00 175.96 2a1f n PHE 139 N -3.86 -0.50 -3.74 0.56 3.72 -1.26 -5.00 117.46 107.39 2a1f n PHE 139 Ca 0.06 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.24 2a1f n PHE 139 Cb 0.59 -3.01 -0.18 0.00 -0.94 0.00 0.00 39.48 35.94 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 -2.70 0.48 0.91 1.38 0.40 -1.26 -5.15 117.98 112.04 2a1f s PHE 140 Ca 0.00 -0.04 -0.11 0.00 -0.60 0.00 0.00 56.93 56.18 2a1f s PHE 140 Cb 0.00 -0.70 0.14 0.00 0.51 0.00 0.00 43.02 42.97 2a1f s PHE 140 CO 0.00 -0.28 1.09 0.95 0.70 0.00 0.00 175.22 177.68 2a1f s THR 141 N 2.02 2.60 0.40 0.64 -4.23 -1.26 -4.87 115.64 110.95 2a1f s THR 141 Ca 0.05 0.20 0.11 0.00 -1.18 0.00 0.00 61.69 60.86 2a1f s THR 141 Cb -0.12 -2.57 0.17 0.00 1.34 0.00 0.00 72.50 71.32 2a1f s THR 141 CO -0.05 -0.26 1.94 0.74 -0.54 0.00 0.00 174.62 176.46 2a1f h THR 142 N -1.65 1.16 -0.66 3.99 2.02 -1.99 -2.07 112.91 113.71 2a1f h THR 142 Ca -0.49 -0.71 -0.01 0.00 0.77 0.00 0.00 66.41 65.97 2a1f h THR 142 Cb 1.28 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 68.87 2a1f h THR 142 CO 0.52 0.22 0.39 0.44 0.37 0.00 0.00 175.52 177.45 2a1f h ASP 143 N 0.18 0.80 -0.68 4.18 3.32 -1.99 0.29 116.42 122.52 2a1f h ASP 143 Ca 0.04 -0.07 0.02 0.00 0.02 0.00 0.00 57.03 57.03 2a1f h ASP 143 Cb 0.34 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.65 2a1f h ASP 143 CO 0.02 0.64 0.44 0.28 -1.72 0.00 0.00 179.24 178.90 2a1f h SER 144 N 0.90 0.74 -0.38 6.45 0.02 -1.74 -1.91 113.55 117.63 2a1f h SER 144 Ca 0.24 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.19 2a1f h SER 144 Cb -0.01 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 2a1f h SER 144 CO -0.04 0.53 0.23 0.74 -1.14 0.00 0.00 176.83 177.15 2a1f h THR 145 N 0.88 1.06 -0.32 -2.27 2.02 -1.13 0.01 112.91 113.17 2a1f h THR 145 Ca 0.26 -0.16 0.06 0.00 0.77 0.00 0.00 66.41 67.33 2a1f h THR 145 Cb -0.05 0.54 -0.05 0.00 -1.74 0.00 0.00 68.15 66.85 2a1f h THR 145 CO -0.08 0.09 0.00 0.00 0.37 0.00 0.00 175.52 175.90 2a1f h ALA 146 N 1.16 0.29 -0.44 6.16 0.00 -0.68 -0.13 119.26 125.61 2a1f h ALA 146 Ca 0.15 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 2a1f h ALA 146 Cb -0.02 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2a1f h ALA 146 CO -0.05 -0.40 0.14 0.00 0.00 0.00 0.00 179.25 178.93 2a1f h LEU 148 N 0.57 -0.14 -0.20 0.00 5.85 -0.77 -0.57 115.31 120.05 2a1f h LEU 148 Ca 0.14 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 2a1f h LEU 148 Cb 0.27 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2a1f h LEU 148 CO -0.00 -0.04 0.06 0.03 -0.34 0.00 0.00 178.44 178.15 2a1f h ARG 149 N -0.24 0.30 -0.61 1.25 2.47 -1.02 -0.51 114.38 116.02 2a1f h ARG 149 Ca -0.02 -0.07 0.13 0.00 -1.26 0.00 0.00 59.98 58.76 2a1f h ARG 149 Cb 0.19 -0.04 -0.11 0.00 -1.65 0.00 0.00 29.97 28.36 2a1f h ARG 149 CO 0.03 0.41 -0.07 0.78 0.56 0.00 0.00 179.97 181.68 2a1f h GLY 150 N 0.14 0.56 0.87 0.04 0.00 -0.98 0.66 103.07 104.37 2a1f h GLY 150 Ca 0.06 0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.48 2a1f h GLY 150 CO -0.00 -0.22 -0.03 -2.22 0.00 0.00 0.00 176.54 174.07 2a1f h ILE 151 N 0.06 1.27 -0.70 2.60 2.04 -0.89 -1.45 117.51 120.44 2a1f h ILE 151 Ca 0.31 -1.01 0.01 0.00 1.00 0.00 0.00 64.86 65.17 2a1f h ILE 151 Cb 0.49 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.90 2a1f h ILE 151 CO -0.57 0.32 0.46 -0.33 0.00 0.00 0.00 178.15 178.03 2a1f h GLU 152 N 0.29 0.92 -0.24 2.37 5.08 -0.54 -2.79 114.58 119.66 2a1f h GLU 152 Ca 0.08 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2a1f h GLU 152 Cb 0.48 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2a1f h GLU 152 CO 0.02 0.61 0.00 0.44 -1.00 0.00 0.00 179.01 179.08 2a1f n ILE 153 N -4.60 0.32 -3.72 3.13 -5.35 0.18 -4.93 119.36 104.37 2a1f n ILE 153 Ca 0.06 -0.36 -0.22 0.00 -0.27 0.00 0.00 62.75 61.95 2a1f n ILE 153 Cb 0.02 0.24 0.03 0.00 -1.74 0.00 0.00 39.64 38.18 2a1f n ILE 153 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2a1f n GLU 154 N 0.30 -5.00 -2.24 6.28 1.02 -1.06 -4.89 120.64 115.05 2a1f n GLU 154 Ca 0.13 0.62 -0.34 0.00 -0.02 0.00 0.00 57.16 57.54 2a1f n GLU 154 Cb 0.27 -5.21 -0.00 0.00 -0.02 0.00 0.00 31.44 26.48 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 -3.63 2.72 -0.26 0.62 0.00 -0.57 -4.91 121.76 115.73 2a1f s ALA 155 Ca 0.08 0.65 0.24 0.00 0.00 0.00 0.00 51.96 52.93 2a1f s ALA 155 Cb -0.04 -3.30 0.52 0.00 0.00 0.00 0.00 23.12 20.30 2a1f s ALA 155 CO 0.81 -0.71 1.67 -0.44 0.00 0.00 0.00 175.76 177.09 2a1f h ASP 156 N 1.02 0.00 -4.51 0.00 3.32 -0.65 -3.46 116.42 112.15 2a1f h ASP 156 Ca -0.49 0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.59 2a1f h ASP 156 Cb 1.24 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.59 2a1f h ASP 156 CO 0.57 0.09 0.41 0.54 -1.72 0.00 0.00 179.24 179.13 2a1f s VAL 157 N -3.29 0.00 -0.28 -1.35 0.11 -1.25 -4.45 120.40 109.90 2a1f s VAL 157 Ca 0.05 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 59.01 2a1f s VAL 157 Cb 0.06 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.89 2a1f s VAL 157 CO 0.66 0.00 0.12 -0.69 -3.33 0.00 0.00 175.10 171.85 2a1f s VAL 158 N -1.44 4.53 -0.38 2.04 1.01 -0.57 -1.99 120.40 123.60 2a1f s VAL 158 Ca -0.04 -0.23 -0.21 0.00 0.00 0.00 0.00 61.98 61.50 2a1f s VAL 158 Cb -0.00 -3.20 0.01 0.00 0.00 0.00 0.00 36.38 33.18 2a1f s VAL 158 CO 0.03 0.22 0.68 -0.76 0.00 0.00 0.00 175.10 175.28 2a1f s LEU 159 N 1.63 4.27 -0.59 3.92 1.43 0.46 -1.12 118.68 128.67 2a1f s LEU 159 Ca 0.06 0.08 -0.20 0.00 -1.03 0.00 0.00 54.13 53.04 2a1f s LEU 159 Cb -0.16 -2.84 0.08 0.00 0.03 0.00 0.00 46.19 43.30 2a1f s LEU 159 CO 0.05 -0.69 0.77 -0.75 0.23 0.00 0.00 176.35 175.96 2a1f s LYS 160 N 2.87 3.09 -0.10 1.70 2.20 0.23 -0.27 119.74 129.46 2a1f s LYS 160 Ca 0.26 -1.08 -0.30 0.00 -0.36 0.00 0.00 55.97 54.50 2a1f s LYS 160 Cb -0.14 -4.22 -0.02 0.00 -1.51 0.00 0.00 37.83 31.94 2a1f s LYS 160 CO 0.17 -1.55 1.10 0.00 -0.36 0.00 0.00 175.35 174.70 2a1f s ALA 161 N 3.08 3.47 0.31 3.13 0.00 -0.68 -1.98 121.76 129.10 2a1f s ALA 161 Ca 0.16 0.46 0.01 0.00 0.00 0.00 0.00 51.96 52.58 2a1f s ALA 161 Cb -0.21 -3.48 -0.00 0.00 0.00 0.00 0.00 23.12 19.42 2a1f s ALA 161 CO 0.09 -0.73 0.04 0.25 0.00 0.00 0.00 175.76 175.41 2a1f n THR 162 N 4.68 0.00 1.08 0.00 -2.24 0.05 -4.43 114.28 113.42 2a1f n THR 162 Ca 0.10 -1.58 0.12 0.00 -2.27 0.00 0.00 64.05 60.43 2a1f n THR 162 Cb 0.47 0.42 0.20 0.00 -2.10 0.00 0.00 70.33 69.33 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 -0.74 2.19 -4.43 -0.78 4.76 -1.26 -2.25 118.16 115.65 2a1f n LYS 163 Ca -0.10 -1.73 -0.25 0.00 -2.87 0.00 0.00 58.31 53.37 2a1f n LYS 163 Cb 0.42 -1.47 -0.09 0.00 -1.84 0.00 0.00 35.03 32.05 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 -1.97 2.57 0.21 -0.18 -7.23 -1.26 -4.90 120.40 107.64 2a1f s VAL 164 Ca 0.31 -2.15 0.34 0.00 -1.81 0.00 0.00 61.98 58.67 2a1f s VAL 164 Cb 0.20 -2.63 0.38 0.00 0.56 0.00 0.00 36.38 34.89 2a1f s VAL 164 CO 0.31 -0.27 2.03 0.44 -0.31 0.00 0.00 175.10 177.30 2a1f h ASP 165 N 2.00 0.00 0.00 4.85 3.45 -1.93 -3.04 116.42 121.75 2a1f h ASP 165 Ca -0.42 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.04 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 0.65 0.04 0.00 0.61 -1.57 0.00 0.00 179.24 178.97 2a1f n GLY 166 N -0.17 -0.64 3.65 2.75 0.00 -1.26 -3.93 105.19 105.58 2a1f n GLY 166 Ca -0.00 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 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 5.24 0.32 1.61 1.01 -1.26 -4.95 120.40 118.37 2a1f s VAL 167 Ca 0.00 0.14 0.07 0.00 0.00 0.00 0.00 61.98 62.19 2a1f s VAL 167 Cb 0.00 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 2a1f s VAL 167 CO 0.00 0.36 0.27 -0.31 0.00 0.00 0.00 175.10 175.42 2a1f s TYR 168 N 1.01 2.93 0.03 5.22 1.51 -1.26 -0.84 117.35 125.94 2a1f s TYR 168 Ca 0.07 -0.27 -0.31 0.00 -1.01 0.00 0.00 57.07 55.55 2a1f s TYR 168 Cb -0.13 -1.72 -0.17 0.00 -0.11 0.00 0.00 41.96 39.82 2a1f s TYR 168 CO 0.04 0.25 1.28 -0.44 -1.11 0.00 0.00 175.55 175.56 2a1f h ASP 169 N 1.30 -0.93 0.00 2.29 3.32 -1.93 -3.47 116.42 117.00 2a1f h ASP 169 Ca -0.45 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.63 2a1f h ASP 169 Cb 1.25 0.24 0.00 0.00 0.22 0.00 0.00 39.33 41.04 2a1f h ASP 169 CO 0.59 -0.57 0.00 0.00 -1.72 0.00 0.00 179.24 177.54 2a1f s ALA 178 N -3.69 -2.53 -0.19 0.00 0.00 -1.26 -5.21 121.76 108.88 2a1f s ALA 178 Ca 0.00 1.62 -0.13 0.00 0.00 0.00 0.00 51.96 53.45 2a1f s ALA 178 Cb 0.00 -2.32 -0.05 0.00 0.00 0.00 0.00 23.12 20.76 2a1f s ALA 178 CO 0.00 -1.48 0.25 0.15 0.00 0.00 0.00 175.76 174.68 2a1f s LYS 179 N 2.87 4.19 -0.17 0.00 1.02 -1.26 -5.07 119.74 121.32 2a1f s LYS 179 Ca 0.16 -0.03 -0.26 0.00 0.02 0.00 0.00 55.97 55.86 2a1f s LYS 179 Cb -0.13 -3.47 -0.01 0.00 -0.52 0.00 0.00 37.83 33.70 2a1f s LYS 179 CO -0.21 0.17 0.87 -1.17 -0.92 0.00 0.00 175.35 174.09 2a1f s LEU 180 N 0.72 4.17 0.22 3.17 2.96 -1.26 -2.84 118.68 125.82 2a1f s LEU 180 Ca 0.13 1.22 -0.30 0.00 -0.22 0.00 0.00 54.13 54.96 2a1f s LEU 180 Cb -0.13 -3.29 -0.09 0.00 0.50 0.00 0.00 46.19 43.18 2a1f s LEU 180 CO 0.03 -0.44 1.19 -0.31 -1.32 0.00 0.00 176.35 175.51 2a1f s TYR 181 N 2.29 3.41 -0.15 5.38 1.51 -0.02 -4.96 117.35 124.81 2a1f s TYR 181 Ca 0.39 1.47 -0.06 0.00 -1.01 0.00 0.00 57.07 57.86 2a1f s TYR 181 Cb -0.16 -3.43 -0.24 0.00 -0.11 0.00 0.00 41.96 38.01 2a1f s TYR 181 CO 0.12 -1.17 0.25 1.17 -1.11 0.00 0.00 175.55 174.81 2a1f n LYS 182 N 2.06 0.73 -3.89 -0.62 4.81 -1.26 -4.18 118.16 115.81 2a1f n LYS 182 Ca 0.03 0.26 -0.16 0.00 -0.87 0.00 0.00 58.31 57.57 2a1f n LYS 182 Cb 0.44 -1.68 -0.16 0.00 0.02 0.00 0.00 35.03 33.66 2a1f n LYS 182 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2a1f s ASN 183 N -6.95 0.29 0.01 3.14 0.01 -1.26 -1.08 114.94 109.09 2a1f s ASN 183 Ca -0.25 -0.01 0.02 0.00 -0.71 0.00 0.00 52.86 51.91 2a1f s ASN 183 Cb 0.07 -0.16 -0.01 0.00 0.41 0.00 0.00 41.25 41.56 2a1f s ASN 183 CO 0.73 -0.10 -0.06 -0.76 -1.51 0.00 0.00 177.10 175.40 2a1f s LEU 184 N 0.92 2.10 0.53 0.60 1.43 0.68 -4.96 118.68 119.97 2a1f s LEU 184 Ca -0.09 -0.26 -0.06 0.00 -1.03 0.00 0.00 54.13 52.70 2a1f s LEU 184 Cb -0.12 -0.24 -0.02 0.00 0.03 0.00 0.00 46.19 45.84 2a1f s LEU 184 CO -0.02 -0.03 0.84 -0.94 0.23 0.00 0.00 176.35 176.43 2a1f s SER 185 N -0.64 6.06 0.16 2.29 1.04 -1.26 -1.56 113.70 119.80 2a1f s SER 185 Ca -0.02 0.91 -0.15 0.00 0.48 0.00 0.00 55.95 57.17 2a1f s SER 185 Cb -0.05 -2.11 0.09 0.00 0.10 0.00 0.00 66.02 64.05 2a1f s SER 185 CO 0.00 -0.75 1.76 1.88 0.98 0.00 0.00 173.24 177.11 2a1f h TYR 186 N 0.06 0.30 -0.95 5.02 -1.99 -1.82 -1.98 116.97 115.61 2a1f h TYR 186 Ca -0.46 0.02 0.08 0.00 2.00 0.00 0.00 58.73 60.36 2a1f h TYR 186 Cb 1.22 -0.07 -0.07 0.00 2.00 0.00 0.00 36.73 39.81 2a1f h TYR 186 CO 0.56 0.13 0.60 0.00 -0.00 0.00 0.00 178.16 179.45 2a1f h ALA 187 N 1.25 1.34 -0.16 3.88 0.00 -1.94 -2.58 119.26 121.04 2a1f h ALA 187 Ca 0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2a1f h ALA 187 Cb 0.14 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2a1f h ALA 187 CO -0.17 0.33 0.07 0.93 0.00 0.00 0.00 179.25 180.42 2a1f h GLU 188 N 1.06 0.24 -0.42 0.00 5.08 -1.85 0.10 114.58 118.79 2a1f h GLU 188 Ca 0.43 -0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.83 2a1f h GLU 188 Cb 0.24 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.37 2a1f h GLU 188 CO -0.20 0.30 -0.13 0.28 -1.00 0.00 0.00 179.01 178.27 2a1f h VAL 189 N 0.12 0.53 0.35 3.13 2.07 -1.05 0.78 116.25 122.19 2a1f h VAL 189 Ca 0.06 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 2a1f h VAL 189 Cb 0.15 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2a1f h VAL 189 CO -0.01 0.00 -0.17 0.40 0.02 0.00 0.00 177.57 177.81 2a1f h ILE 190 N -0.03 0.67 -0.34 4.57 2.04 -1.36 -1.54 117.51 121.52 2a1f h ILE 190 Ca 0.21 -0.18 0.07 0.00 1.00 0.00 0.00 64.86 65.96 2a1f h ILE 190 Cb 0.34 0.76 -0.07 0.00 -0.74 0.00 0.00 36.82 37.11 2a1f h ILE 190 CO -0.45 0.04 -0.13 0.44 0.00 0.00 0.00 178.15 178.04 2a1f h ASP 191 N -0.57 -0.47 0.00 1.72 3.32 -0.49 -1.67 116.42 118.27 2a1f h ASP 191 Ca -0.05 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2a1f h ASP 191 Cb 0.42 0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.25 2a1f h ASP 191 CO 0.08 -0.17 0.00 0.29 -1.72 0.00 0.00 179.24 177.72 2a1f n LYS 192 N -5.32 0.97 -3.94 3.56 5.02 0.24 -4.91 118.16 113.78 2a1f n LYS 192 Ca 0.01 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.02 2a1f n LYS 192 Cb 0.23 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 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 -0.77 -4.31 -2.73 1.97 1.02 -0.63 -4.96 120.64 110.23 2a1f n GLU 193 Ca 0.13 0.50 -0.30 0.00 -0.02 0.00 0.00 57.16 57.47 2a1f n GLU 193 Cb 0.06 -5.08 -0.02 0.00 -0.02 0.00 0.00 31.44 26.38 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 -7.06 3.74 -0.39 -4.62 1.43 -0.63 -5.05 118.68 106.10 2a1f s LEU 194 Ca 0.35 1.12 -0.18 0.00 -1.03 0.00 0.00 54.13 54.40 2a1f s LEU 194 Cb -0.18 -4.03 0.01 0.00 0.03 0.00 0.00 46.19 42.02 2a1f s LEU 194 CO 0.86 -0.47 0.47 -1.59 0.23 0.00 0.00 176.35 175.85 2a1f s LYS 195 N -4.13 3.34 0.07 1.70 -2.85 -1.26 -4.86 119.74 111.74 2a1f s LYS 195 Ca 0.51 -0.50 0.00 0.00 -1.00 0.00 0.00 55.97 54.98 2a1f s LYS 195 Cb -0.10 -3.89 0.00 0.00 -2.06 0.00 0.00 37.83 31.77 2a1f s LYS 195 CO 0.36 -0.76 0.00 0.28 0.10 0.00 0.00 175.35 175.33 2a1f n VAL 196 N 5.45 0.84 -3.98 1.79 0.31 -1.26 -4.96 118.33 116.52 2a1f n VAL 196 Ca -0.06 0.28 -0.10 0.00 -0.01 0.00 0.00 64.34 64.45 2a1f n VAL 196 Cb 0.48 -1.39 -0.04 0.00 -0.91 0.00 0.00 33.84 31.98 2a1f n VAL 196 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2a1f s MET 197 N -1.68 1.72 0.61 5.55 0.23 -1.26 -5.11 119.30 119.35 2a1f s MET 197 Ca 0.00 -1.35 -0.19 0.00 -1.03 0.00 0.00 55.69 53.13 2a1f s MET 197 Cb 0.00 0.49 -0.04 0.00 -1.53 0.00 0.00 34.83 33.75 2a1f s MET 197 CO 0.00 -0.73 1.06 -0.40 -2.03 0.00 0.00 175.02 172.91 2a1f n ASP 198 N -0.70 1.15 -0.26 -1.18 5.68 -1.26 -4.65 116.55 115.33 2a1f n ASP 198 Ca -0.02 0.82 0.13 0.00 -0.50 0.00 0.00 54.79 55.22 2a1f n ASP 198 Cb 0.61 -1.43 0.40 0.00 -1.14 0.00 0.00 41.12 39.56 2a1f n ASP 198 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 2a1f h LEU 199 N 0.56 0.62 -0.13 -2.12 5.85 -2.01 -1.15 115.31 116.94 2a1f h LEU 199 Ca -0.49 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 2a1f h LEU 199 Cb 1.36 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 2a1f h LEU 199 CO 0.52 0.30 0.04 0.77 -0.34 0.00 0.00 178.44 179.73 2a1f h SER 200 N 0.65 0.18 -0.09 1.25 4.64 -1.99 0.28 113.55 118.47 2a1f h SER 200 Ca 0.45 -0.20 -0.00 0.00 -0.47 0.00 0.00 61.79 61.57 2a1f h SER 200 Cb 0.78 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.82 2a1f h SER 200 CO -0.20 0.34 0.05 0.00 -0.87 0.00 0.00 176.83 176.15 2a1f h ALA 201 N 0.85 0.12 -0.95 5.18 0.00 -1.75 -1.92 119.26 120.79 2a1f h ALA 201 Ca 0.04 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2a1f h ALA 201 Cb 0.22 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 2a1f h ALA 201 CO -0.00 -0.36 0.63 0.35 0.00 0.00 0.00 179.25 179.87 2a1f h PHE 202 N 0.08 1.18 -0.51 0.00 3.57 -1.18 -1.62 116.94 118.46 2a1f h PHE 202 Ca 0.03 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.44 2a1f h PHE 202 Cb 0.05 -0.40 -0.02 0.00 2.79 0.00 0.00 35.95 38.38 2a1f h PHE 202 CO -0.05 0.71 -0.14 1.15 -2.23 0.00 0.00 178.31 177.75 2a1f h THR 203 N 1.25 1.27 -0.35 4.41 2.02 -0.74 -0.49 112.91 120.27 2a1f h THR 203 Ca 0.36 -1.30 -0.02 0.00 0.77 0.00 0.00 66.41 66.23 2a1f h THR 203 Cb -0.07 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 2a1f h THR 203 CO -0.10 0.45 0.15 0.25 0.37 0.00 0.00 175.52 176.64 2a1f h LEU 204 N 0.85 0.47 -0.47 2.58 5.85 -1.00 -0.92 115.31 122.67 2a1f h LEU 204 Ca 0.13 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 2a1f h LEU 204 Cb 0.71 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 2a1f h LEU 204 CO 0.05 0.50 0.28 0.00 -0.34 0.00 0.00 178.44 178.93 2a1f h ALA 205 N 0.99 0.61 -0.01 1.25 0.00 -1.13 -2.80 119.26 118.17 2a1f h ALA 205 Ca 0.12 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2a1f h ALA 205 Cb 0.17 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2a1f h ALA 205 CO -0.01 0.11 0.00 -0.09 0.00 0.00 0.00 179.25 179.26 2a1f h ARG 206 N 0.63 0.01 0.00 0.00 2.43 -0.98 0.38 114.38 116.85 2a1f h ARG 206 Ca 0.17 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 2a1f h ARG 206 Cb 0.02 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 2a1f h ARG 206 CO -0.03 0.06 -0.15 -0.44 -1.51 0.00 0.00 179.97 177.90 2a1f h ASP 207 N -0.05 0.00 -0.07 -3.80 3.32 -1.12 -2.46 116.42 112.24 2a1f h ASP 207 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2a1f h ASP 207 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 2a1f h ASP 207 CO -0.00 0.15 0.00 1.41 -1.72 0.00 0.00 179.24 179.08 2a1f n HIS 208 N -4.00 0.07 -1.45 4.55 8.25 -1.06 -4.99 115.22 116.59 2a1f n HIS 208 Ca -0.02 -0.04 -0.14 0.00 -0.26 0.00 0.00 57.72 57.26 2a1f n HIS 208 Cb 0.24 -0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.29 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 1.14 1.34 3.64 -1.41 0.00 -0.05 -4.97 105.19 104.88 2a1f n GLY 209 Ca 0.12 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.24 4.02 0.54 1.61 0.00 -0.20 -4.80 119.30 117.22 2a1f s MET 210 Ca 0.00 1.64 -0.18 0.00 0.00 0.00 0.00 55.69 57.14 2a1f s MET 210 Cb 0.00 -3.90 -0.06 0.00 0.00 0.00 0.00 34.83 30.87 2a1f s MET 210 CO 0.00 -1.00 1.06 -1.25 0.00 0.00 0.00 175.02 173.83 2a1f s PRO 211 N 4.08 3.51 -0.05 4.11 0.04 -1.26 -4.67 135.00 140.76 2a1f s PRO 211 Ca 0.63 1.34 0.05 0.00 0.04 0.00 0.00 61.00 63.06 2a1f s PRO 211 Cb -0.23 -2.05 -0.00 0.00 0.04 0.00 0.00 34.50 32.25 2a1f s PRO 211 CO 0.23 -0.67 -0.20 0.42 0.04 0.00 0.00 177.00 176.82 2a1f s ILE 212 N -2.13 1.70 -0.18 0.56 1.01 -0.26 -1.51 121.20 120.38 2a1f s ILE 212 Ca 0.67 -0.86 -0.03 0.00 0.00 0.00 0.00 60.65 60.43 2a1f s ILE 212 Cb -0.18 -1.45 -0.02 0.00 0.01 0.00 0.00 42.46 40.82 2a1f s ILE 212 CO 0.28 0.48 -0.05 -0.13 0.00 0.00 0.00 174.94 175.52 2a1f s ARG 213 N 0.03 3.49 -0.26 2.79 1.81 -0.28 -0.66 118.95 125.88 2a1f s ARG 213 Ca -0.06 -0.59 -0.09 0.00 -1.72 0.00 0.00 55.73 53.28 2a1f s ARG 213 Cb -0.13 -2.93 -0.04 0.00 -0.45 0.00 0.00 34.95 31.40 2a1f s ARG 213 CO 0.03 0.02 0.11 0.08 -0.68 0.00 0.00 175.30 174.87 2a1f s VAL 214 N 0.91 4.68 0.24 3.52 1.01 -0.10 0.75 120.40 131.40 2a1f s VAL 214 Ca -0.01 -0.05 -0.07 0.00 0.00 0.00 0.00 61.98 61.86 2a1f s VAL 214 Cb -0.15 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 2a1f s VAL 214 CO 0.01 0.31 0.33 0.72 0.00 0.00 0.00 175.10 176.47 2a1f s PHE 215 N 1.63 0.78 -0.64 5.22 -0.12 -0.84 -1.25 117.98 122.76 2a1f s PHE 215 Ca 0.06 -1.06 -0.16 0.00 -0.05 0.00 0.00 56.93 55.73 2a1f s PHE 215 Cb -0.15 -0.16 0.15 0.00 -0.63 0.00 0.00 43.02 42.23 2a1f s PHE 215 CO 0.06 -0.86 0.62 1.21 -0.05 0.00 0.00 175.22 176.20 2a1f s ASN 216 N -3.10 6.36 0.46 1.98 3.84 -1.15 -0.77 114.94 122.56 2a1f s ASN 216 Ca 0.30 -2.00 0.25 0.00 0.21 0.00 0.00 52.86 51.62 2a1f s ASN 216 Cb 0.03 -2.23 1.02 0.00 -0.55 0.00 0.00 41.25 39.51 2a1f s ASN 216 CO 0.12 -0.82 1.87 -0.03 -2.79 0.00 0.00 177.10 175.45 2a1f h MET 217 N 8.62 0.00 0.00 0.43 1.85 -1.75 -2.69 114.93 121.39 2a1f h MET 217 Ca -0.17 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.92 2a1f h MET 217 Cb 1.08 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.11 2a1f h MET 217 CO 0.97 0.21 0.00 0.78 -0.40 0.00 0.00 176.91 178.47 2a1f h GLY 218 N 1.87 0.00 -7.27 1.39 0.00 -1.91 -3.38 103.07 93.77 2a1f h GLY 218 Ca -0.00 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.71 2a1f h GLY 218 CO 0.03 0.00 1.06 0.54 0.00 0.00 0.00 176.54 178.16 2a1f s LYS 219 N -3.63 3.42 0.10 4.80 1.02 -1.01 -5.02 119.74 119.42 2a1f s LYS 219 Ca 0.01 -1.06 -0.26 0.00 0.02 0.00 0.00 55.97 54.69 2a1f s LYS 219 Cb 0.09 -4.79 -0.14 0.00 -0.52 0.00 0.00 37.83 32.47 2a1f s LYS 219 CO 0.46 -2.01 0.57 -2.30 -0.92 0.00 0.00 175.35 171.15 2a1f n PRO 220 N 8.16 0.00 0.00 -1.68 -0.02 -1.26 -0.81 135.00 139.39 2a1f n PRO 220 Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 2a1f n PRO 220 Cb 0.49 -0.93 0.00 0.00 -0.02 0.00 0.00 33.50 33.04 2a1f n PRO 220 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a1f n GLY 221 N 1.44 3.02 0.34 -1.23 0.00 -1.26 -4.90 105.19 102.60 2a1f n GLY 221 Ca 0.15 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.25 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 1.85 -0.08 4.61 0.00 -1.24 -2.74 119.26 121.66 2a1f h ALA 222 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2a1f h ALA 222 Cb 0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2a1f h ALA 222 CO 0.00 0.05 -0.00 1.25 0.00 0.00 0.00 179.25 180.54 2a1f h LEU 223 N 0.53 0.14 -0.92 0.00 5.85 -1.85 -1.28 115.31 117.78 2a1f h LEU 223 Ca 0.25 -0.33 0.06 0.00 0.84 0.00 0.00 57.88 58.71 2a1f h LEU 223 Cb 0.31 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.23 2a1f h LEU 223 CO -0.07 0.43 0.58 -0.09 -0.34 0.00 0.00 178.44 178.95 2a1f h ARG 224 N -0.16 1.04 -0.34 1.25 2.43 -1.89 -1.88 114.38 114.83 2a1f h ARG 224 Ca 0.02 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.05 2a1f h ARG 224 Cb 0.36 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 2a1f h ARG 224 CO 0.00 0.69 -0.12 1.96 -1.51 0.00 0.00 179.97 180.99 2a1f h GLN 225 N 1.07 0.59 -0.41 0.20 4.20 -1.35 -0.84 115.11 118.57 2a1f h GLN 225 Ca 0.40 -0.18 -0.06 0.00 0.06 0.00 0.00 58.65 58.87 2a1f h GLN 225 Cb 0.16 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 2a1f h GLN 225 CO -0.17 0.70 0.02 0.28 -0.67 0.00 0.00 178.83 178.99 2a1f h VAL 226 N 0.54 1.25 0.00 -0.54 2.07 -0.69 -1.38 116.25 117.51 2a1f h VAL 226 Ca 0.10 -0.97 -0.06 0.00 0.82 0.00 0.00 66.70 66.59 2a1f h VAL 226 Cb 0.53 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 2a1f h VAL 226 CO 0.03 0.33 -0.27 0.58 0.02 0.00 0.00 177.57 178.26 2a1f h VAL 227 N 0.54 0.57 -0.21 2.57 2.07 -1.22 -3.26 116.25 117.32 2a1f h VAL 227 Ca 0.12 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 66.26 2a1f h VAL 227 Cb 0.44 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 2a1f h VAL 227 CO 0.02 0.27 0.00 0.35 0.02 0.00 0.00 177.57 178.22 2a1f n THR 228 N -3.32 0.51 -3.77 2.57 -2.24 -0.33 -0.75 114.28 106.95 2a1f n THR 228 Ca 0.01 -0.76 -0.04 0.00 -2.27 0.00 0.00 64.05 60.99 2a1f n THR 228 Cb 0.51 0.87 -0.01 0.00 -2.10 0.00 0.00 70.33 69.60 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 -1.02 -0.21 0.03 3.38 0.00 -0.53 -4.57 107.32 104.40 2a1f s GLY 229 Ca 0.20 0.07 0.23 0.00 0.00 0.00 0.00 44.72 45.22 2a1f s GLY 229 CO 0.17 -0.01 0.97 2.41 0.00 0.00 0.00 173.10 176.64 2a1f n THR 230 N -0.47 0.11 0.10 0.90 -1.04 -1.26 -4.54 114.28 108.08 2a1f n THR 230 Ca -0.06 -0.20 -0.16 0.00 -2.04 0.00 0.00 64.05 61.59 2a1f n THR 230 Cb 0.60 0.35 -0.12 0.00 -1.82 0.00 0.00 70.33 69.35 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 0.34 -6.44 -2.82 4.39 -1.94 -3.46 114.58 104.65 2a1f h GLU 231 Ca 0.00 -0.51 -0.54 0.00 0.34 0.00 0.00 59.36 58.65 2a1f h GLU 231 Cb 0.70 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 2a1f h GLU 231 CO 0.00 1.22 0.47 -1.21 -1.16 0.00 0.00 179.01 178.32 2a1f s GLU 232 N -2.81 4.49 1.77 2.33 0.41 -1.26 -4.89 118.70 118.75 2a1f s GLU 232 Ca -0.05 1.59 0.00 0.00 -0.41 0.00 0.00 54.97 56.10 2a1f s GLU 232 Cb 0.07 -3.41 0.00 0.00 -1.78 0.00 0.00 34.13 29.01 2a1f s GLU 232 CO 0.89 -0.16 0.00 0.41 -0.49 0.00 0.00 175.26 175.91 2a1f n GLY 233 N 3.06 -1.48 3.43 -1.39 0.00 -1.25 -4.82 105.19 102.73 2a1f n GLY 233 Ca 0.07 -1.30 -0.33 0.00 0.00 0.00 0.00 46.02 44.46 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 3.30 -0.21 2.61 2.01 -0.38 -4.60 115.64 118.37 2a1f s THR 234 Ca 0.00 -0.59 -0.09 0.00 0.31 0.00 0.00 61.69 61.32 2a1f s THR 234 Cb 0.00 -2.38 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 2a1f s THR 234 CO 0.00 0.53 0.11 -0.89 -0.69 0.00 0.00 174.62 173.68 2a1f s THR 235 N 0.10 5.07 -0.20 -0.82 2.01 -0.24 -0.92 115.64 120.63 2a1f s THR 235 Ca -0.04 0.07 -0.04 0.00 0.31 0.00 0.00 61.69 61.99 2a1f s THR 235 Cb -0.14 -3.32 -0.02 0.00 0.01 0.00 0.00 72.50 69.03 2a1f s THR 235 CO 0.04 0.41 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.72 2a1f s ILE 236 N 0.68 3.62 0.37 1.82 1.09 0.17 -0.23 121.20 128.72 2a1f s ILE 236 Ca 0.06 -0.43 -0.08 0.00 -1.10 0.00 0.00 60.65 59.11 2a1f s ILE 236 Cb -0.13 -2.63 0.03 0.00 -1.06 0.00 0.00 42.46 38.68 2a1f s ILE 236 CO 0.01 0.44 0.62 0.00 -0.10 0.00 0.00 174.94 175.91 2a1f s GLU 238 N -2.49 4.27 0.69 0.00 2.12 -1.26 -2.35 118.70 119.67 2a1f s GLU 238 Ca 0.23 2.32 -0.14 0.00 0.36 0.00 0.00 54.97 57.74 2a1f s GLU 238 Cb -0.03 -3.08 0.01 0.00 0.26 0.00 0.00 34.13 31.30 2a1f s GLU 238 CO 0.17 -0.37 1.12 0.20 -0.54 0.00 0.00 175.26 175.84 2a1f s GLY 239 N 0.05 2.13 0.42 -1.50 0.00 -1.26 -4.91 107.32 102.24 2a1f s GLY 239 Ca 0.55 0.57 0.29 0.00 0.00 0.00 0.00 44.72 46.14 2a1f s GLY 239 CO 0.49 0.93 1.88 1.12 0.00 0.00 0.00 173.10 177.52 2a1f h HIS 240 N -0.17 0.00 -0.79 1.90 2.07 -2.02 -3.36 115.15 112.77 2a1f h HIS 240 Ca -0.46 0.00 -0.49 0.00 -2.85 0.00 0.00 60.37 56.56 2a1f h HIS 240 Cb 1.25 0.00 -0.23 0.00 2.57 0.00 0.00 27.41 31.00 2a1f h HIS 240 CO 0.54 0.00 0.63 -2.39 -3.07 0.00 0.00 177.93 173.64 2a1f n HIS 241 N -2.62 2.51 -0.01 6.12 1.44 -1.26 -4.27 115.22 117.13 2a1f n HIS 241 Ca 0.00 -2.25 -0.03 0.00 -2.01 0.00 0.00 57.72 53.44 2a1f n HIS 241 Cb 0.20 -1.10 -0.01 0.00 0.12 0.00 0.00 29.99 29.21 2a1f n HIS 241 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2a1f n HIS 242 N -0.55 0.00 0.00 -1.40 -0.00 -1.26 -5.04 115.22 106.97 2a1f n HIS 242 Ca 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.21 2a1f n HIS 242 Cb 0.91 -0.09 0.00 0.00 -0.00 0.00 0.00 29.99 30.81 2a1f n HIS 242 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2a1f n HIS 243 N -3.14 0.00 0.00 4.41 8.25 -1.26 -5.24 115.22 118.23 2a1f n HIS 243 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 2a1f n HIS 243 Cb 0.50 0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.69 2a1f n HIS 243 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70