#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a1f n SER 2 N 0.00 2.22 -4.92 1.96 3.41 -1.26 -4.99 113.62 110.05 2a1f n SER 2 Ca 0.00 1.15 -0.26 0.00 -0.26 0.00 0.00 58.87 59.50 2a1f n SER 2 Cb 0.00 -1.36 0.00 0.00 -0.26 0.00 0.00 64.21 62.59 2a1f n SER 2 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2a1f s GLN 3 N -0.67 3.44 0.33 4.33 -0.21 -1.26 -4.91 119.66 120.70 2a1f s GLN 3 Ca 0.67 -0.01 -0.29 0.00 0.02 0.00 0.00 55.36 55.76 2a1f s GLN 3 Cb -0.70 -2.45 -0.10 0.00 1.00 0.00 0.00 33.01 30.75 2a1f s GLN 3 CO 0.53 -0.16 1.36 -2.14 -2.12 0.00 0.00 175.29 172.75 2a1f s PRO 4 N -4.64 4.30 0.00 2.91 0.02 -1.26 -4.36 135.00 131.97 2a1f s PRO 4 Ca 0.46 2.29 0.22 0.00 0.02 0.00 0.00 61.00 63.99 2a1f s PRO 4 Cb -0.10 -3.06 0.36 0.00 0.02 0.00 0.00 34.50 31.72 2a1f s PRO 4 CO 0.42 -0.29 1.33 0.44 -0.33 0.00 0.00 177.00 178.58 2a1f n ILE 5 N 0.97 0.43 -4.28 2.83 -5.35 0.27 -4.93 119.36 109.30 2a1f n ILE 5 Ca 0.01 -0.71 -0.18 0.00 -0.27 0.00 0.00 62.75 61.60 2a1f n ILE 5 Cb 0.41 1.05 -0.13 0.00 -1.74 0.00 0.00 39.64 39.23 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 -1.48 0.97 -0.10 4.28 1.51 -1.26 -5.05 117.35 116.22 2a1f s TYR 6 Ca 0.35 -0.32 0.02 0.00 -1.01 0.00 0.00 57.07 56.10 2a1f s TYR 6 Cb 0.21 -0.59 -0.25 0.00 -0.11 0.00 0.00 41.96 41.22 2a1f s TYR 6 CO 0.29 -0.00 0.45 1.63 -1.11 0.00 0.00 175.55 176.81 2a1f n LYS 7 N 2.08 0.71 -3.73 -0.62 5.02 -1.26 -4.81 118.16 115.55 2a1f n LYS 7 Ca -0.18 0.26 -0.15 0.00 -2.02 0.00 0.00 58.31 56.23 2a1f n LYS 7 Cb 0.55 -1.73 -0.15 0.00 -0.02 0.00 0.00 35.03 33.69 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 0.07 0.18 1.97 3.52 -1.26 -1.35 118.95 119.51 2a1f s ARG 8 Ca -0.16 0.42 0.09 0.00 -0.13 0.00 0.00 55.73 55.95 2a1f s ARG 8 Cb 0.07 -0.21 -0.04 0.00 -1.56 0.00 0.00 34.95 33.21 2a1f s ARG 8 CO 0.79 -0.21 -0.19 0.96 -0.81 0.00 0.00 175.30 175.84 2a1f s ILE 9 N 1.48 1.95 -0.18 4.11 -4.36 -0.50 -0.21 121.20 123.49 2a1f s ILE 9 Ca -0.06 -1.98 0.00 0.00 -0.26 0.00 0.00 60.65 58.35 2a1f s ILE 9 Cb -0.12 -1.93 0.02 0.00 1.25 0.00 0.00 42.46 41.68 2a1f s ILE 9 CO -0.06 -0.30 -0.18 -0.22 0.24 0.00 0.00 174.94 174.43 2a1f s LEU 10 N -2.75 2.25 -0.41 0.37 0.20 -0.64 -2.19 118.68 115.51 2a1f s LEU 10 Ca 0.18 -0.61 -0.11 0.00 0.69 0.00 0.00 54.13 54.28 2a1f s LEU 10 Cb -0.06 -1.52 0.06 0.00 -0.43 0.00 0.00 46.19 44.24 2a1f s LEU 10 CO 0.08 0.00 0.27 -0.22 -0.29 0.00 0.00 176.35 176.19 2a1f s LEU 11 N 1.30 5.08 -0.21 -0.68 2.96 -0.13 -0.56 118.68 126.45 2a1f s LEU 11 Ca 0.05 -1.25 -0.24 0.00 -0.22 0.00 0.00 54.13 52.48 2a1f s LEU 11 Cb -0.13 -2.05 -0.01 0.00 0.50 0.00 0.00 46.19 44.49 2a1f s LEU 11 CO -0.11 -0.50 0.77 -0.75 -1.32 0.00 0.00 176.35 174.44 2a1f s LYS 12 N 1.53 4.23 -0.08 1.98 2.36 -0.24 -1.52 119.74 128.00 2a1f s LYS 12 Ca 0.03 0.87 0.04 0.00 -2.55 0.00 0.00 55.97 54.36 2a1f s LYS 12 Cb -0.22 -3.60 -0.01 0.00 -1.05 0.00 0.00 37.83 32.95 2a1f s LYS 12 CO 0.05 -0.38 -0.21 -0.51 1.55 0.00 0.00 175.35 175.86 2a1f s LEU 13 N 2.35 2.33 0.60 5.43 1.43 -0.14 -1.88 118.68 128.80 2a1f s LEU 13 Ca 0.34 -0.42 -0.18 0.00 -1.03 0.00 0.00 54.13 52.84 2a1f s LEU 13 Cb -0.16 -1.46 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 2a1f s LEU 13 CO 0.10 0.24 1.14 -0.94 0.23 0.00 0.00 176.35 177.12 2a1f s SER 14 N -0.10 5.31 0.38 2.29 1.04 -1.26 -0.91 113.70 120.45 2a1f s SER 14 Ca -0.04 2.17 0.10 0.00 0.48 0.00 0.00 55.95 58.66 2a1f s SER 14 Cb -0.14 -2.57 0.88 0.00 0.10 0.00 0.00 66.02 64.28 2a1f s SER 14 CO 0.04 -1.50 1.91 1.23 0.98 0.00 0.00 173.24 175.90 2a1f h GLY 15 N 0.65 0.97 1.76 7.32 0.00 -1.91 -1.84 103.07 110.01 2a1f h GLY 15 Ca -0.49 -0.26 0.03 0.00 0.00 0.00 0.00 47.33 46.61 2a1f h GLY 15 CO 0.55 0.11 0.10 0.83 0.00 0.00 0.00 176.54 178.13 2a1f h GLU 16 N 0.61 0.00 0.00 4.80 3.07 -1.90 -2.03 114.58 119.13 2a1f h GLU 16 Ca 0.38 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.24 2a1f h GLU 16 Cb 0.64 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.55 2a1f h GLU 16 CO -0.15 0.00 -0.00 0.00 -1.40 0.00 0.00 179.01 177.46 2a1f h ALA 17 N 1.89 1.11 0.00 3.43 0.00 -1.70 -2.14 119.26 121.85 2a1f h ALA 17 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2a1f h ALA 17 Cb 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2a1f h ALA 17 CO -0.00 0.00 -0.92 1.28 0.00 0.00 0.00 179.25 179.61 2a1f n LEU 18 N -3.24 0.67 -4.77 0.00 4.77 -0.76 -4.94 117.00 108.72 2a1f n LEU 18 Ca -0.03 -0.14 -0.40 0.00 -0.03 0.00 0.00 56.01 55.42 2a1f n LEU 18 Cb 0.08 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.06 2a1f n LEU 18 CO 0.22 0.11 0.98 -1.10 -1.33 0.00 0.00 177.39 176.27 2a1f s GLN 19 N -3.11 4.02 0.35 3.23 -0.21 -0.81 -0.13 119.66 123.00 2a1f s GLN 19 Ca 0.06 2.20 -0.05 0.00 0.02 0.00 0.00 55.36 57.59 2a1f s GLN 19 Cb 0.16 -2.81 0.08 0.00 1.00 0.00 0.00 33.01 31.43 2a1f s GLN 19 CO 0.80 -0.47 0.47 0.41 -2.12 0.00 0.00 175.29 174.38 2a1f n GLY 20 N 0.67 -1.03 0.30 3.09 0.00 -1.24 -4.75 105.19 102.23 2a1f n GLY 20 Ca 0.03 -1.72 0.06 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 0.60 0.00 1.61 4.11 -1.96 0.16 114.58 119.10 2a1f h GLU 21 Ca -0.15 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.24 2a1f h GLU 21 Cb 0.44 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2a1f h GLU 21 CO 0.11 0.40 0.00 -0.40 0.07 0.00 0.00 179.01 179.19 2a1f n ASP 22 N -4.87 0.00 -0.89 3.06 5.68 -1.26 -4.83 116.55 113.44 2a1f n ASP 22 Ca 0.16 -0.99 -0.09 0.00 -0.50 0.00 0.00 54.79 53.37 2a1f n ASP 22 Cb 0.41 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.37 2a1f n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2a1f n GLY 23 N 0.10 0.49 3.39 6.12 0.00 0.55 -4.97 105.19 110.87 2a1f n GLY 23 Ca 0.04 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.38 -0.21 0.00 0.99 0.20 -1.26 -4.88 118.68 111.14 2a1f s LEU 24 Ca 0.00 0.00 0.00 0.00 0.69 0.00 0.00 54.13 54.82 2a1f s LEU 24 Cb 0.00 2.29 0.00 0.00 -0.43 0.00 0.00 46.19 48.05 2a1f s LEU 24 CO 0.00 -0.86 0.00 0.61 -0.29 0.00 0.00 176.35 175.81 2a1f n GLY 25 N -0.08 2.87 2.94 7.98 0.00 -1.09 -3.71 105.19 114.09 2a1f n GLY 25 Ca -0.17 -0.33 -0.27 0.00 0.00 0.00 0.00 46.02 45.25 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 1.16 -0.36 -0.61 1.01 -1.26 -3.76 121.20 117.37 2a1f s ILE 26 Ca 0.00 -0.37 -0.23 0.00 0.00 0.00 0.00 60.65 60.04 2a1f s ILE 26 Cb 0.00 -1.14 0.01 0.00 0.01 0.00 0.00 42.46 41.34 2a1f s ILE 26 CO 0.00 0.39 0.79 -0.62 0.00 0.00 0.00 174.94 175.50 2a1f s ASP 27 N 1.61 6.56 0.36 3.58 3.68 0.81 -4.87 116.67 128.41 2a1f s ASP 27 Ca 0.04 0.38 0.04 0.00 2.13 0.00 0.00 52.55 55.14 2a1f s ASP 27 Cb -0.13 -2.40 0.70 0.00 -1.45 0.00 0.00 42.92 39.65 2a1f s ASP 27 CO -0.08 -0.73 1.99 -0.65 0.13 0.00 0.00 175.17 175.83 2a1f h PRO 28 N 8.46 0.76 -0.45 4.34 0.11 -1.99 -1.06 132.00 142.17 2a1f h PRO 28 Ca -0.25 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.69 2a1f h PRO 28 Cb 1.09 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 2a1f h PRO 28 CO 0.91 0.50 -0.24 0.00 -0.21 0.00 0.00 178.00 178.97 2a1f h ALA 29 N 1.62 0.73 -0.50 -0.75 0.00 -1.96 0.19 119.26 118.59 2a1f h ALA 29 Ca 0.26 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 2a1f h ALA 29 Cb 0.06 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2a1f h ALA 29 CO -0.07 0.67 -0.09 0.82 0.00 0.00 0.00 179.25 180.57 2a1f h ILE 30 N 0.80 1.26 -0.28 0.00 2.04 -1.79 -1.74 117.51 117.80 2a1f h ILE 30 Ca 0.10 -1.20 -0.18 0.00 1.00 0.00 0.00 64.86 64.58 2a1f h ILE 30 Cb 0.80 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 2a1f h ILE 30 CO 0.07 0.42 -0.52 0.25 0.00 0.00 0.00 178.15 178.37 2a1f h LEU 31 N 0.81 0.94 -0.63 1.44 5.85 -0.94 -2.04 115.31 120.75 2a1f h LEU 31 Ca 0.13 -0.53 -0.15 0.00 0.84 0.00 0.00 57.88 58.17 2a1f h LEU 31 Cb 0.61 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 2a1f h LEU 31 CO 0.04 1.30 -0.61 0.44 -0.34 0.00 0.00 178.44 179.27 2a1f h ASP 32 N 0.62 0.31 0.27 1.25 3.45 -0.92 -1.15 116.42 120.24 2a1f h ASP 32 Ca 0.01 -0.18 -0.00 0.00 0.43 0.00 0.00 57.03 57.30 2a1f h ASP 32 Cb 1.13 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 39.80 2a1f h ASP 32 CO 0.12 0.84 -0.23 -0.09 -1.57 0.00 0.00 179.24 178.31 2a1f h ARG 33 N 0.20 -0.50 -0.74 3.56 1.12 -1.20 -1.49 114.38 115.34 2a1f h ARG 33 Ca -0.01 0.03 0.05 0.00 -1.11 0.00 0.00 59.98 58.94 2a1f h ARG 33 Cb 1.12 0.11 -0.04 0.00 -0.01 0.00 0.00 29.97 31.15 2a1f h ARG 33 CO 0.10 -0.33 0.48 0.52 -3.11 0.00 0.00 179.97 177.63 2a1f h MET 34 N -0.51 0.82 -0.76 0.20 2.86 -1.25 -2.01 114.93 114.28 2a1f h MET 34 Ca -0.01 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 2a1f h MET 34 Cb 0.46 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 31.90 2a1f h MET 34 CO -0.02 0.54 0.39 0.00 1.06 0.00 0.00 176.91 178.88 2a1f h ALA 35 N 1.58 0.97 -0.62 6.32 0.00 -0.93 -1.76 119.26 124.82 2a1f h ALA 35 Ca 0.30 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2a1f h ALA 35 Cb 0.14 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2a1f h ALA 35 CO -0.09 0.51 0.23 0.28 0.00 0.00 0.00 179.25 180.18 2a1f h VAL 36 N 1.06 1.24 -0.38 0.00 2.07 -0.59 -1.54 116.25 118.10 2a1f h VAL 36 Ca 0.26 -0.76 -0.08 0.00 0.82 0.00 0.00 66.70 66.94 2a1f h VAL 36 Cb 0.08 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 2a1f h VAL 36 CO -0.04 0.30 -0.09 -0.33 0.02 0.00 0.00 177.57 177.43 2a1f h GLU 37 N 0.88 0.65 -0.38 1.57 5.08 -1.25 -2.24 114.58 118.89 2a1f h GLU 37 Ca 0.21 -0.19 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 2a1f h GLU 37 Cb 0.23 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2a1f h GLU 37 CO -0.01 0.74 -0.16 0.82 -1.00 0.00 0.00 179.01 179.39 2a1f h ILE 38 N 0.60 1.28 -0.88 3.13 2.04 -1.20 -2.91 117.51 119.58 2a1f h ILE 38 Ca 0.11 -1.28 0.07 0.00 1.00 0.00 0.00 64.86 64.76 2a1f h ILE 38 Cb 0.51 1.29 -0.06 0.00 -0.74 0.00 0.00 36.82 37.82 2a1f h ILE 38 CO 0.03 0.43 0.55 0.50 0.00 0.00 0.00 178.15 179.65 2a1f h LYS 39 N 0.59 0.95 0.00 2.37 3.64 -1.02 -0.84 116.57 122.26 2a1f h LYS 39 Ca 0.09 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 2a1f h LYS 39 Cb 0.70 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 2a1f h LYS 39 CO 0.05 0.63 -0.31 1.05 -2.27 0.00 0.00 179.45 178.60 2a1f h GLU 40 N 0.98 0.00 -0.25 1.90 4.11 -1.36 0.19 114.58 120.17 2a1f h GLU 40 Ca 0.39 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.79 2a1f h GLU 40 Cb 0.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2a1f h GLU 40 CO -0.18 0.31 0.05 -0.07 0.07 0.00 0.00 179.01 179.19 2a1f h LEU 41 N 0.00 0.38 -0.72 3.06 3.38 -1.00 -2.69 115.31 117.73 2a1f h LEU 41 Ca -0.00 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 2a1f h LEU 41 Cb 0.68 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 2a1f h LEU 41 CO 0.04 0.53 0.40 0.58 0.09 0.00 0.00 178.44 180.08 2a1f h VAL 42 N 0.22 1.22 0.00 1.22 2.07 -0.94 -1.72 116.25 118.32 2a1f h VAL 42 Ca 0.08 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 2a1f h VAL 42 Cb 0.30 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 2a1f h VAL 42 CO 0.00 0.23 -0.07 -0.33 0.02 0.00 0.00 177.57 177.43 2a1f h GLU 43 N 0.98 0.00 -0.14 1.57 5.08 -0.58 -0.71 114.58 120.78 2a1f h GLU 43 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2a1f h GLU 43 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2a1f h GLU 43 CO -0.04 0.07 0.00 -1.33 -1.00 0.00 0.00 179.01 176.71 2a1f n MET 44 N -3.72 1.69 -0.56 2.33 2.81 -0.86 -4.95 117.12 113.88 2a1f n MET 44 Ca -0.02 -1.03 0.00 0.00 -1.81 0.00 0.00 57.70 54.83 2a1f n MET 44 Cb 0.17 -1.40 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 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 1.12 0.75 3.74 3.03 0.00 -0.27 -4.89 105.19 108.66 2a1f n GLY 45 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.48 3.99 -0.25 1.61 1.01 -0.70 -4.97 120.40 118.61 2a1f s VAL 46 Ca 0.00 1.75 -0.20 0.00 0.00 0.00 0.00 61.98 63.53 2a1f s VAL 46 Cb 0.00 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 2a1f s VAL 46 CO 0.00 0.32 0.64 -1.61 0.00 0.00 0.00 175.10 174.44 2a1f s GLU 47 N -0.46 4.12 -0.18 2.72 2.02 -0.45 -4.16 118.70 122.31 2a1f s GLU 47 Ca 0.48 0.57 -0.00 0.00 0.02 0.00 0.00 54.97 56.03 2a1f s GLU 47 Cb -0.28 -3.64 0.01 0.00 0.10 0.00 0.00 34.13 30.31 2a1f s GLU 47 CO 0.34 -0.40 -0.15 0.08 0.02 0.00 0.00 175.26 175.15 2a1f s VAL 48 N 2.46 2.58 0.13 2.63 1.01 -1.26 -1.41 120.40 126.54 2a1f s VAL 48 Ca 0.27 -0.78 0.09 0.00 0.00 0.00 0.00 61.98 61.55 2a1f s VAL 48 Cb -0.15 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 2a1f s VAL 48 CO 0.09 0.50 -0.14 -0.94 0.00 0.00 0.00 175.10 174.61 2a1f s SER 49 N 1.14 4.07 -0.08 3.32 1.04 -0.93 -1.88 113.70 120.38 2a1f s SER 49 Ca 0.01 -0.54 -0.00 0.00 0.48 0.00 0.00 55.95 55.90 2a1f s SER 49 Cb -0.14 -0.64 0.02 0.00 0.10 0.00 0.00 66.02 65.36 2a1f s SER 49 CO -0.06 0.16 -0.04 -0.69 0.98 0.00 0.00 173.24 173.59 2a1f s VAL 50 N -1.32 0.68 -0.20 5.02 1.01 0.23 -0.96 120.40 124.86 2a1f s VAL 50 Ca 0.21 -0.11 -0.10 0.00 0.00 0.00 0.00 61.98 61.97 2a1f s VAL 50 Cb -0.10 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 2a1f s VAL 50 CO 0.12 0.29 0.13 -0.69 0.00 0.00 0.00 175.10 174.95 2a1f s VAL 51 N 1.53 5.37 -0.05 2.92 1.01 -0.58 -0.14 120.40 130.46 2a1f s VAL 51 Ca -0.01 0.18 0.04 0.00 0.00 0.00 0.00 61.98 62.19 2a1f s VAL 51 Cb -0.13 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 2a1f s VAL 51 CO -0.04 0.43 -0.16 -0.76 0.00 0.00 0.00 175.10 174.57 2a1f s LEU 52 N 0.46 2.63 0.93 3.92 1.43 -1.22 -0.97 118.68 125.86 2a1f s LEU 52 Ca 0.08 -0.25 -0.13 0.00 -1.03 0.00 0.00 54.13 52.80 2a1f s LEU 52 Cb -0.11 -1.53 0.21 0.00 0.03 0.00 0.00 46.19 44.78 2a1f s LEU 52 CO -0.01 0.32 1.27 -0.83 0.23 0.00 0.00 176.35 177.34 2a1f s GLY 53 N -0.60 1.80 0.00 -3.19 0.00 -0.08 -4.78 107.32 100.47 2a1f s GLY 53 Ca 0.09 -1.47 0.00 0.00 0.00 0.00 0.00 44.72 43.34 2a1f s GLY 53 CO 0.01 -0.69 0.76 0.61 0.00 0.00 0.00 173.10 173.79 2a1f n GLY 54 N -3.62 0.60 0.08 0.20 0.00 -1.26 -3.61 105.19 97.58 2a1f n GLY 54 Ca 0.17 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.29 2a1f n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a1f n GLY 55 N -0.28 -1.18 0.21 -0.02 0.00 -1.26 -1.82 105.19 100.85 2a1f n GLY 55 Ca 0.00 0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.15 2a1f n GLY 55 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2a1f h ASN 56 N 0.00 0.00 0.00 1.61 -1.07 -1.88 -3.36 115.58 110.87 2a1f h ASN 56 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 56.30 56.18 2a1f h ASN 56 Cb 0.33 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.54 2a1f h ASN 56 CO 0.00 0.23 -1.73 0.18 0.07 0.00 0.00 177.43 176.18 2a1f n LEU 57 N -3.31 0.22 -3.68 6.14 4.77 -0.93 -2.69 117.00 117.53 2a1f n LEU 57 Ca 0.01 -0.01 -0.15 0.00 -0.03 0.00 0.00 56.01 55.84 2a1f n LEU 57 Cb 0.48 0.21 -0.14 0.00 -2.33 0.00 0.00 43.42 41.63 2a1f n LEU 57 CO 0.34 0.30 -0.18 0.12 -1.33 0.00 0.00 177.39 176.64 2a1f s PHE 58 N -2.26 -0.30 -0.15 -1.77 5.36 -0.75 -5.04 117.98 113.07 2a1f s PHE 58 Ca -0.06 0.77 0.02 0.00 -0.96 0.00 0.00 56.93 56.70 2a1f s PHE 58 Cb 0.03 -0.12 0.01 0.00 -0.34 0.00 0.00 43.02 42.60 2a1f s PHE 58 CO 0.42 -0.29 -0.20 1.03 -1.46 0.00 0.00 175.22 174.72 2a1f s ARG 59 N 2.13 3.07 0.37 10.12 1.81 -1.26 -4.16 118.95 131.03 2a1f s ARG 59 Ca -0.00 -0.82 0.27 0.00 -1.72 0.00 0.00 55.73 53.46 2a1f s ARG 59 Cb -0.12 -2.50 0.94 0.00 -0.45 0.00 0.00 34.95 32.82 2a1f s ARG 59 CO -0.07 -0.03 1.79 0.78 -0.68 0.00 0.00 175.30 177.09 2a1f h GLY 60 N 7.38 0.00 -0.76 -3.53 0.00 -1.97 -3.40 103.07 100.79 2a1f h GLY 60 Ca -0.34 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.06 2a1f h GLY 60 CO 0.57 0.00 -0.51 0.00 0.00 0.00 0.00 176.54 176.60 2a1f h ALA 61 N 2.20 -0.53 -0.05 3.60 0.00 -1.98 0.69 119.26 123.18 2a1f h ALA 61 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2a1f h ALA 61 Cb 0.61 1.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.67 2a1f h ALA 61 CO 0.00 -0.86 0.03 0.87 0.00 0.00 0.00 179.25 179.29 2a1f h LYS 62 N -0.07 0.06 -0.84 0.00 1.57 -2.00 -1.11 116.57 114.18 2a1f h LYS 62 Ca 0.12 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2a1f h LYS 62 Cb 0.39 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.64 2a1f h LYS 62 CO -0.75 0.05 0.51 -0.07 -0.57 0.00 0.00 179.45 178.61 2a1f h LEU 63 N 0.06 1.01 -0.78 2.94 3.38 -1.73 -2.45 115.31 117.75 2a1f h LEU 63 Ca 0.02 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2a1f h LEU 63 Cb -0.01 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 2a1f h LEU 63 CO -0.00 0.78 0.47 0.00 0.09 0.00 0.00 178.44 179.78 2a1f h ALA 64 N 1.28 0.99 -0.65 1.53 0.00 -0.64 -1.92 119.26 119.85 2a1f h ALA 64 Ca 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2a1f h ALA 64 Cb -0.05 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 2a1f h ALA 64 CO -0.06 0.46 0.38 -0.22 0.00 0.00 0.00 179.25 179.81 2a1f h LYS 65 N 1.07 0.87 0.00 0.00 1.63 -0.94 -1.08 116.57 118.12 2a1f h LYS 65 Ca 0.28 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 60.00 2a1f h LYS 65 Cb -0.04 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 31.40 2a1f h LYS 65 CO -0.05 0.62 0.00 0.00 -3.45 0.00 0.00 179.45 176.57 2a1f n ALA 66 N -2.44 1.93 0.00 5.00 0.00 -0.95 -4.90 120.51 119.15 2a1f n ALA 66 Ca 0.06 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2a1f n ALA 66 Cb 0.08 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.13 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 0.57 1.36 3.70 0.00 0.00 -0.41 -5.08 105.19 105.32 2a1f n GLY 67 Ca 0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.59 2.33 -1.69 1.61 0.00 -0.76 -4.89 117.12 113.13 2a1f n MET 68 Ca 0.00 0.83 -0.45 0.00 -0.00 0.00 0.00 57.70 58.09 2a1f n MET 68 Cb 0.00 -2.57 -0.04 0.00 0.00 0.00 0.00 33.22 30.61 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 2.70 3.61 0.26 6.12 4.05 -1.26 -4.64 115.26 126.09 2a1f n ASN 69 Ca 0.13 1.03 0.08 0.00 0.45 0.00 0.00 54.58 56.27 2a1f n ASN 69 Cb 0.33 -1.48 0.64 0.00 1.23 0.00 0.00 39.78 40.49 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 7.46 0.00 0.00 1.20 9.65 -1.98 -1.50 114.38 129.21 2a1f h ARG 70 Ca -0.46 0.00 0.02 0.00 -1.10 0.00 0.00 59.98 58.45 2a1f h ARG 70 Cb 1.24 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.79 2a1f h ARG 70 CO 0.93 0.04 -0.14 0.28 2.80 0.00 0.00 179.97 183.88 2a1f h VAL 71 N 0.00 0.65 -0.71 0.20 2.07 -1.99 -1.05 116.25 115.42 2a1f h VAL 71 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2a1f h VAL 71 Cb 0.07 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 2a1f h VAL 71 CO 0.01 0.00 0.45 0.58 0.02 0.00 0.00 177.57 178.62 2a1f h VAL 72 N -0.24 1.19 -0.94 2.57 2.07 -1.67 -0.07 116.25 119.17 2a1f h VAL 72 Ca 0.05 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.18 2a1f h VAL 72 Cb 0.30 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 30.20 2a1f h VAL 72 CO -0.14 0.19 0.61 1.23 0.02 0.00 0.00 177.57 179.49 2a1f h GLY 73 N 0.97 1.32 1.85 2.17 0.00 -1.24 -1.30 103.07 106.85 2a1f h GLY 73 Ca 0.26 -0.50 -0.11 0.00 0.00 0.00 0.00 47.33 46.98 2a1f h GLY 73 CO -0.05 0.49 -0.44 -0.55 0.00 0.00 0.00 176.54 175.99 2a1f h ASP 74 N 1.27 0.17 -0.49 0.19 3.32 0.03 -1.64 116.42 119.27 2a1f h ASP 74 Ca 0.34 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.23 2a1f h ASP 74 Cb -0.13 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 2a1f h ASP 74 CO -0.07 0.59 -0.04 0.45 -1.72 0.00 0.00 179.24 178.45 2a1f h HIS 75 N 0.13 0.99 -0.36 4.55 3.86 -0.71 -2.09 115.15 121.52 2a1f h HIS 75 Ca 0.01 -0.18 -0.01 0.00 -1.16 0.00 0.00 60.37 59.02 2a1f h HIS 75 Cb 0.83 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 29.04 2a1f h HIS 75 CO 0.01 0.94 0.18 0.52 0.86 0.00 0.00 177.93 180.44 2a1f h MET 76 N 0.75 0.51 -0.99 2.45 2.86 -0.95 -2.44 114.93 117.12 2a1f h MET 76 Ca 0.14 -0.07 0.07 0.00 -2.06 0.00 0.00 59.70 57.77 2a1f h MET 76 Cb 0.57 -0.09 -0.07 0.00 0.06 0.00 0.00 31.60 32.06 2a1f h MET 76 CO 0.03 0.45 0.64 0.78 1.06 0.00 0.00 176.91 179.87 2a1f h GLY 77 N 0.44 1.51 0.97 8.32 0.00 -1.29 -2.08 103.07 110.95 2a1f h GLY 77 Ca 0.12 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 2a1f h GLY 77 CO -0.02 0.32 0.21 -0.33 0.00 0.00 0.00 176.54 176.72 2a1f h MET 78 N 1.14 0.75 -0.71 4.80 2.86 -1.06 -1.94 114.93 120.77 2a1f h MET 78 Ca 0.43 -0.13 -0.04 0.00 -2.06 0.00 0.00 59.70 57.90 2a1f h MET 78 Cb 0.19 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 2a1f h MET 78 CO -0.18 0.65 0.28 -0.07 1.06 0.00 0.00 176.91 178.65 2a1f h LEU 79 N 0.67 0.96 -0.95 1.22 3.38 -1.24 -2.18 115.31 117.18 2a1f h LEU 79 Ca 0.17 -0.14 0.07 0.00 0.09 0.00 0.00 57.88 58.07 2a1f h LEU 79 Cb 0.18 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.61 2a1f h LEU 79 CO -0.02 0.86 0.61 0.00 0.09 0.00 0.00 178.44 179.98 2a1f h ALA 80 N 1.28 1.34 0.00 1.53 0.00 -1.08 -1.99 119.26 120.34 2a1f h ALA 80 Ca 0.24 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2a1f h ALA 80 Cb 0.20 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2a1f h ALA 80 CO -0.02 0.36 -0.13 1.79 0.00 0.00 0.00 179.25 181.25 2a1f h THR 81 N 1.08 0.78 -0.18 0.00 1.35 -0.70 -1.96 112.91 113.28 2a1f h THR 81 Ca 0.42 -0.49 -0.21 0.00 -0.55 0.00 0.00 66.41 65.58 2a1f h THR 81 Cb 0.21 1.29 0.01 0.00 -1.73 0.00 0.00 68.15 67.94 2a1f h THR 81 CO -0.19 0.12 -0.70 0.58 -0.25 0.00 0.00 175.52 175.08 2a1f h VAL 82 N 0.00 1.28 -0.65 6.82 2.07 -1.23 -1.02 116.25 123.51 2a1f h VAL 82 Ca -0.00 -1.90 0.00 0.00 0.82 0.00 0.00 66.70 65.62 2a1f h VAL 82 Cb 0.28 1.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 2a1f h VAL 82 CO 0.02 0.61 0.42 0.24 0.02 0.00 0.00 177.57 178.87 2a1f h MET 83 N 0.52 0.87 -0.70 1.57 2.86 -1.10 0.12 114.93 119.07 2a1f h MET 83 Ca -0.04 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.52 2a1f h MET 83 Cb 1.33 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 32.77 2a1f h MET 83 CO 0.15 0.59 0.36 -0.91 1.06 0.00 0.00 176.91 178.16 2a1f h ASN 84 N 0.89 0.90 -0.96 1.22 2.35 -1.32 -2.48 115.58 116.17 2a1f h ASN 84 Ca 0.24 -0.12 0.06 0.00 -0.55 0.00 0.00 56.30 55.93 2a1f h ASN 84 Cb -0.08 -0.23 -0.06 0.00 0.05 0.00 0.00 38.32 38.00 2a1f h ASN 84 CO -0.05 0.76 0.62 1.23 -1.65 0.00 0.00 177.43 178.34 2a1f h GLY 85 N 0.98 1.44 1.02 2.83 0.00 -0.35 -1.26 103.07 107.73 2a1f h GLY 85 Ca 0.24 -0.45 -0.11 0.00 0.00 0.00 0.00 47.33 47.01 2a1f h GLY 85 CO -0.04 0.34 -0.17 1.41 0.00 0.00 0.00 176.54 178.08 2a1f h LEU 86 N 1.14 0.85 -0.40 3.11 3.38 -0.54 0.17 115.31 123.02 2a1f h LEU 86 Ca 0.41 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2a1f h LEU 86 Cb 0.13 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2a1f h LEU 86 CO -0.16 1.06 0.14 0.00 0.09 0.00 0.00 178.44 179.57 2a1f h ALA 87 N 0.82 0.52 -0.44 1.53 0.00 -1.25 -1.43 119.26 119.01 2a1f h ALA 87 Ca 0.09 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2a1f h ALA 87 Cb 0.73 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2a1f h ALA 87 CO 0.05 0.15 0.13 1.98 0.00 0.00 0.00 179.25 181.56 2a1f h MET 88 N 0.50 0.68 -0.16 0.00 1.85 -1.13 -0.67 114.93 116.00 2a1f h MET 88 Ca 0.13 -0.15 0.04 0.00 -0.61 0.00 0.00 59.70 59.11 2a1f h MET 88 Cb 0.23 -0.10 -0.04 0.00 0.43 0.00 0.00 31.60 32.12 2a1f h MET 88 CO -0.01 0.67 -0.07 -0.09 -0.40 0.00 0.00 176.91 177.01 2a1f h ARG 89 N 0.57 -0.05 -0.50 0.39 2.43 -0.87 -0.77 114.38 115.58 2a1f h ARG 89 Ca 0.14 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 2a1f h ARG 89 Cb 0.27 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 2a1f h ARG 89 CO -0.00 -0.03 0.25 0.22 -1.51 0.00 0.00 179.97 178.89 2a1f h ASP 90 N -0.05 0.61 -0.52 -3.80 3.58 -1.11 -1.93 116.42 113.20 2a1f h ASP 90 Ca 0.09 -0.05 -0.10 0.00 0.42 0.00 0.00 57.03 57.39 2a1f h ASP 90 Cb 0.18 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 2a1f h ASP 90 CO -0.20 0.51 -0.05 -1.28 -2.88 0.00 0.00 179.24 175.35 2a1f h SER 91 N 0.69 0.95 -0.34 2.28 0.87 -0.69 -1.80 113.55 115.50 2a1f h SER 91 Ca 0.18 -0.33 -0.05 0.00 -1.23 0.00 0.00 61.79 60.35 2a1f h SER 91 Cb 0.05 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 2a1f h SER 91 CO -0.03 1.05 0.01 -0.07 -0.53 0.00 0.00 176.83 177.26 2a1f h LEU 92 N 0.82 0.59 -0.54 2.23 3.38 -0.86 -1.95 115.31 118.98 2a1f h LEU 92 Ca 0.14 -0.30 0.05 0.00 0.09 0.00 0.00 57.88 57.86 2a1f h LEU 92 Cb 0.59 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 2a1f h LEU 92 CO 0.04 0.75 0.27 0.15 0.09 0.00 0.00 178.44 179.73 2a1f h PHE 93 N 0.42 0.48 0.00 1.13 3.57 -1.29 0.28 116.94 121.52 2a1f h PHE 93 Ca 0.10 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 2a1f h PHE 93 Cb 0.44 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.04 2a1f h PHE 93 CO 0.04 0.22 -0.14 0.00 -2.23 0.00 0.00 178.31 176.20 2a1f h ARG 94 N 0.51 0.00 -0.15 1.11 3.08 -1.16 -1.04 114.38 116.74 2a1f h ARG 94 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 2a1f h ARG 94 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2a1f h ARG 94 CO -0.18 0.14 0.00 0.00 -1.07 0.00 0.00 179.97 178.86 2a1f n ALA 95 N -2.41 2.51 -3.32 0.04 0.00 -0.73 -4.93 120.51 111.67 2a1f n ALA 95 Ca -0.02 -0.35 -0.17 0.00 0.00 0.00 0.00 53.44 52.90 2a1f n ALA 95 Cb 0.22 -1.08 0.08 0.00 0.00 0.00 0.00 19.45 18.66 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 -0.04 -3.25 -4.19 0.00 9.92 -0.39 -5.03 116.55 113.57 2a1f n ASP 96 Ca 0.11 -0.52 -0.32 0.00 -0.53 0.00 0.00 54.79 53.53 2a1f n ASP 96 Cb 0.19 -4.52 -0.17 0.00 -0.64 0.00 0.00 41.12 35.99 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 -3.30 2.09 -0.14 2.53 1.01 0.01 -5.01 120.40 117.59 2a1f s VAL 97 Ca 0.16 -0.98 -0.29 0.00 0.00 0.00 0.00 61.98 60.87 2a1f s VAL 97 Cb -0.07 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.44 2a1f s VAL 97 CO 0.64 0.55 1.77 0.21 0.00 0.00 0.00 175.10 178.26 2a1f s ASN 98 N 0.71 6.34 0.02 3.32 3.84 -1.26 -3.59 114.94 124.32 2a1f s ASN 98 Ca -0.10 1.98 0.00 0.00 0.21 0.00 0.00 52.86 54.96 2a1f s ASN 98 Cb -0.16 -2.53 -0.02 0.00 -0.55 0.00 0.00 41.25 37.99 2a1f s ASN 98 CO 0.01 -1.24 -0.03 0.00 -2.79 0.00 0.00 177.10 173.05 2a1f s ALA 99 N 5.21 0.17 0.02 1.71 0.00 -1.26 -1.68 121.76 125.93 2a1f s ALA 99 Ca 0.79 -0.55 0.06 0.00 0.00 0.00 0.00 51.96 52.25 2a1f s ALA 99 Cb -0.31 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 2a1f s ALA 99 CO 0.32 -0.12 -0.17 0.15 0.00 0.00 0.00 175.76 175.94 2a1f s LYS 100 N -1.31 1.24 -0.18 0.00 -0.14 -0.37 -4.96 119.74 114.01 2a1f s LYS 100 Ca -0.13 -0.73 -0.06 0.00 -1.36 0.00 0.00 55.97 53.68 2a1f s LYS 100 Cb -0.09 -1.25 -0.04 0.00 -1.68 0.00 0.00 37.83 34.77 2a1f s LYS 100 CO -0.01 0.33 0.03 -1.17 -0.76 0.00 0.00 175.35 173.77 2a1f s LEU 101 N -0.81 3.61 0.02 3.17 2.96 -1.26 -1.31 118.68 125.06 2a1f s LEU 101 Ca 0.05 -0.00 0.07 0.00 -0.22 0.00 0.00 54.13 54.04 2a1f s LEU 101 Cb -0.07 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 2a1f s LEU 101 CO 0.01 0.17 -0.20 -0.04 -1.32 0.00 0.00 176.35 174.96 2a1f s MET 102 N 0.41 2.08 -0.01 1.98 -1.94 -0.13 -1.31 119.30 120.36 2a1f s MET 102 Ca 0.01 -0.96 0.06 0.00 -1.71 0.00 0.00 55.69 53.08 2a1f s MET 102 Cb -0.13 -2.15 -0.02 0.00 2.01 0.00 0.00 34.83 34.55 2a1f s MET 102 CO 0.01 0.55 -0.19 0.45 -0.01 0.00 0.00 175.02 175.83 2a1f s SER 103 N -1.19 2.26 0.35 3.03 0.15 -0.34 -1.12 113.70 116.84 2a1f s SER 103 Ca 0.13 -0.35 0.07 0.00 0.70 0.00 0.00 55.95 56.50 2a1f s SER 103 Cb -0.10 -0.25 0.76 0.00 -1.71 0.00 0.00 66.02 64.72 2a1f s SER 103 CO 0.03 0.23 1.88 0.00 1.20 0.00 0.00 173.24 176.58 2a1f h ALA 104 N 5.64 1.77 -2.94 5.45 0.00 -1.63 0.55 119.26 128.11 2a1f h ALA 104 Ca -0.38 0.01 -0.58 0.00 0.00 0.00 0.00 54.91 53.95 2a1f h ALA 104 Cb 1.14 -0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.69 2a1f h ALA 104 CO 0.48 0.01 -0.18 -0.06 0.00 0.00 0.00 179.25 179.50 2a1f s PHE 105 N -5.72 3.47 -0.05 0.00 2.99 -1.26 -4.74 117.98 112.66 2a1f s PHE 105 Ca -0.10 0.77 -0.34 0.00 0.00 0.00 0.00 56.93 57.26 2a1f s PHE 105 Cb 0.22 -2.51 -0.12 0.00 0.00 0.00 0.00 43.02 40.60 2a1f s PHE 105 CO 0.79 0.13 1.82 0.94 -0.00 0.00 0.00 175.22 178.91 2a1f n GLN 106 N 3.87 2.15 -3.63 0.44 7.27 -1.26 -4.85 117.38 121.36 2a1f n GLN 106 Ca -0.08 0.79 -0.28 0.00 0.07 0.00 0.00 57.00 57.50 2a1f n GLN 106 Cb 0.51 -2.61 -0.11 0.00 2.41 0.00 0.00 30.24 30.44 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 3.51 3.04 0.09 1.69 1.43 -1.26 -5.09 118.68 122.08 2a1f s LEU 107 Ca 0.90 -3.44 -0.33 0.00 -1.03 0.00 0.00 54.13 50.23 2a1f s LEU 107 Cb -0.70 -1.01 -0.13 0.00 0.03 0.00 0.00 46.19 44.39 2a1f s LEU 107 CO 0.50 -0.13 1.71 0.59 0.23 0.00 0.00 176.35 179.25 2a1f n ASN 108 N 2.43 3.40 0.00 2.29 5.03 -1.26 -1.54 115.26 125.61 2a1f n ASN 108 Ca 0.25 1.04 0.00 0.00 0.87 0.00 0.00 54.58 56.74 2a1f n ASN 108 Cb 0.42 -1.44 0.00 0.00 -1.02 0.00 0.00 39.78 37.74 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 3.84 1.76 0.43 7.41 0.00 -1.26 -4.86 105.19 112.51 2a1f n GLY 109 Ca 0.19 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.03 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 1.06 -3.61 -0.61 5.41 -0.59 -5.11 119.36 113.91 2a1f n ILE 110 Ca 0.00 -0.18 -0.07 0.00 1.00 0.00 0.00 62.75 63.50 2a1f n ILE 110 Cb 0.00 -1.80 0.02 0.00 -0.71 0.00 0.00 39.64 37.15 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 -2.60 6.54 0.10 0.00 1.11 -0.43 -4.58 116.67 116.81 2a1f s ASP 112 Ca 0.12 1.61 -0.23 0.00 0.18 0.00 0.00 52.55 54.23 2a1f s ASP 112 Cb -0.04 -2.51 -0.07 0.00 1.07 0.00 0.00 42.92 41.37 2a1f s ASP 112 CO 0.09 -0.64 0.69 -0.89 1.18 0.00 0.00 175.17 175.60 2a1f s THR 113 N -2.58 4.61 0.22 -1.27 2.01 -1.26 -1.20 115.64 116.17 2a1f s THR 113 Ca 0.60 1.50 -0.30 0.00 0.31 0.00 0.00 61.69 63.79 2a1f s THR 113 Cb -0.11 -4.04 -0.10 0.00 0.01 0.00 0.00 72.50 68.27 2a1f s THR 113 CO 0.31 0.49 1.45 -0.47 -0.69 0.00 0.00 174.62 175.71 2a1f s TYR 114 N -0.82 3.06 -0.18 4.92 5.04 0.19 -4.72 117.35 124.84 2a1f s TYR 114 Ca 0.34 0.97 -0.07 0.00 -2.44 0.00 0.00 57.07 55.87 2a1f s TYR 114 Cb -0.21 -3.81 0.08 0.00 0.35 0.00 0.00 41.96 38.37 2a1f s TYR 114 CO 0.22 -2.71 0.39 1.21 -1.34 0.00 0.00 175.55 173.33 2a1f s ASN 115 N 0.53 -0.23 0.19 4.32 3.84 -1.26 -4.98 114.94 117.34 2a1f s ASN 115 Ca 0.61 0.91 -0.13 0.00 0.21 0.00 0.00 52.86 54.46 2a1f s ASN 115 Cb -0.41 1.11 0.12 0.00 -0.55 0.00 0.00 41.25 41.51 2a1f s ASN 115 CO 0.40 -0.22 1.83 4.11 -2.79 0.00 0.00 177.10 180.43 2a1f h TRP 116 N 7.92 0.68 0.05 0.43 5.08 -1.94 -0.37 115.95 127.80 2a1f h TRP 116 Ca -0.21 0.02 -0.23 0.00 1.08 0.00 0.00 58.89 59.55 2a1f h TRP 116 Cb 1.13 -0.22 -0.00 0.00 -3.00 0.00 0.00 29.16 27.06 2a1f h TRP 116 CO 0.29 0.40 -1.03 0.66 -1.28 0.00 0.00 178.44 177.48 2a1f h SER 117 N 0.72 0.37 -0.18 0.11 4.64 -1.98 -1.78 113.55 115.46 2a1f h SER 117 Ca 0.23 -0.34 -0.08 0.00 -0.47 0.00 0.00 61.79 61.13 2a1f h SER 117 Cb -0.01 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 2a1f h SER 117 CO -0.08 1.19 -0.13 -0.33 -0.87 0.00 0.00 176.83 176.61 2a1f h GLU 118 N 0.12 0.56 -0.29 4.77 4.39 -1.94 -1.38 114.58 120.82 2a1f h GLU 118 Ca -0.08 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.42 2a1f h GLU 118 Cb 1.71 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 30.29 2a1f h GLU 118 CO 0.17 0.68 0.09 0.00 -1.16 0.00 0.00 179.01 178.78 2a1f h ALA 119 N 1.35 0.37 -0.57 3.43 0.00 -0.85 -1.84 119.26 121.15 2a1f h ALA 119 Ca 0.09 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.90 2a1f h ALA 119 Cb 0.53 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 2a1f h ALA 119 CO 0.03 0.01 0.31 0.82 0.00 0.00 0.00 179.25 180.42 2a1f h ILE 120 N 0.30 0.98 -0.59 0.00 2.04 -1.22 -0.26 117.51 118.75 2a1f h ILE 120 Ca 0.09 -0.21 0.02 0.00 1.00 0.00 0.00 64.86 65.76 2a1f h ILE 120 Cb 0.24 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 2a1f h ILE 120 CO -0.00 0.11 0.38 0.11 0.00 0.00 0.00 178.15 178.74 2a1f h LYS 121 N 0.60 0.74 -0.46 2.37 1.57 -1.14 -1.47 116.57 118.77 2a1f h LYS 121 Ca 0.25 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.90 2a1f h LYS 121 Cb 0.13 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 2a1f h LYS 121 CO -0.15 0.49 -0.04 0.52 -0.57 0.00 0.00 179.45 179.69 2a1f h MET 122 N 0.76 0.79 -0.70 3.15 2.86 -0.93 -2.06 114.93 118.79 2a1f h MET 122 Ca 0.23 -0.23 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 2a1f h MET 122 Cb -0.03 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 2a1f h MET 122 CO -0.08 0.82 0.22 -0.07 1.06 0.00 0.00 176.91 178.87 2a1f h LEU 123 N 0.73 1.02 -1.32 1.22 3.38 -0.68 -0.87 115.31 118.79 2a1f h LEU 123 Ca 0.13 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 2a1f h LEU 123 Cb 0.51 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2a1f h LEU 123 CO 0.03 0.95 -0.16 0.03 0.09 0.00 0.00 178.44 179.38 2a1f h ARG 124 N 1.03 0.26 0.00 1.13 3.08 -1.12 -0.93 114.38 117.83 2a1f h ARG 124 Ca 0.23 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2a1f h ARG 124 Cb 0.30 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2a1f h ARG 124 CO -0.01 0.43 0.00 0.39 -1.07 0.00 0.00 179.97 179.71 2a1f n GLU 125 N -4.24 0.88 -2.51 0.04 1.02 -0.79 -4.86 120.64 110.18 2a1f n GLU 125 Ca -0.01 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 2a1f n GLU 125 Cb 0.30 -1.24 0.01 0.00 -0.02 0.00 0.00 31.44 30.48 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 -0.74 -2.15 -3.43 3.49 5.02 -0.35 -5.02 118.16 114.97 2a1f n LYS 126 Ca 0.10 0.61 -0.38 0.00 -2.02 0.00 0.00 58.31 56.63 2a1f n LYS 126 Cb 0.05 -4.82 -0.06 0.00 -0.02 0.00 0.00 35.03 30.17 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 -4.98 3.99 -0.01 1.97 0.52 -0.37 -4.86 118.95 115.21 2a1f s ARG 127 Ca 0.10 0.50 -0.30 0.00 -0.52 0.00 0.00 55.73 55.51 2a1f s ARG 127 Cb -0.04 -3.19 -0.05 0.00 0.52 0.00 0.00 34.95 32.19 2a1f s ARG 127 CO 0.13 0.65 1.32 0.08 0.02 0.00 0.00 175.30 177.49 2a1f s VAL 128 N -1.14 3.91 -0.23 3.52 1.01 -0.68 -4.15 120.40 122.64 2a1f s VAL 128 Ca 0.27 1.28 -0.05 0.00 0.00 0.00 0.00 61.98 63.48 2a1f s VAL 128 Cb -0.17 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 2a1f s VAL 128 CO 0.16 0.01 0.01 -0.69 0.00 0.00 0.00 175.10 174.59 2a1f s VAL 129 N 2.19 3.83 -0.19 2.92 1.01 -0.79 -1.24 120.40 128.12 2a1f s VAL 129 Ca 0.61 -0.34 -0.12 0.00 0.00 0.00 0.00 61.98 62.13 2a1f s VAL 129 Cb -0.29 -2.77 -0.05 0.00 0.00 0.00 0.00 36.38 33.27 2a1f s VAL 129 CO 0.25 0.38 0.21 -0.63 0.00 0.00 0.00 175.10 175.31 2a1f s ILE 130 N 1.53 5.36 -0.22 2.22 1.01 -0.43 -0.60 121.20 130.06 2a1f s ILE 130 Ca 0.06 0.35 -0.07 0.00 0.00 0.00 0.00 60.65 60.98 2a1f s ILE 130 Cb -0.15 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 2a1f s ILE 130 CO 0.00 0.40 0.06 -0.36 0.00 0.00 0.00 174.94 175.05 2a1f s PHE 131 N 0.51 3.12 0.29 3.97 2.99 0.81 -0.96 117.98 128.72 2a1f s PHE 131 Ca 0.12 -0.26 0.05 0.00 0.00 0.00 0.00 56.93 56.84 2a1f s PHE 131 Cb -0.12 -2.17 -0.06 0.00 0.00 0.00 0.00 43.02 40.66 2a1f s PHE 131 CO 0.01 -0.19 -0.01 -1.54 -0.00 0.00 0.00 175.22 173.49 2a1f s SER 132 N 1.18 2.59 -0.52 1.36 1.04 -0.27 -3.46 113.70 115.62 2a1f s SER 132 Ca 0.04 -1.26 0.00 0.00 0.48 0.00 0.00 55.95 55.21 2a1f s SER 132 Cb -0.14 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.84 2a1f s SER 132 CO 0.03 -0.45 0.00 0.00 0.98 0.00 0.00 173.24 173.80 2a1f n ALA 133 N -0.62 -0.07 -0.93 5.32 0.00 -1.25 -1.95 120.51 121.00 2a1f n ALA 133 Ca -0.04 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2a1f n ALA 133 Cb 0.65 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.22 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 -1.93 3.37 0.55 0.00 0.00 -1.26 -1.97 105.19 103.95 2a1f n GLY 134 Ca -0.05 -0.16 0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 0.00 2.61 -2.24 -1.26 -4.53 114.28 108.86 2a1f n THR 135 Ca 0.00 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 2a1f n THR 135 Cb 0.00 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 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 1.29 1.78 3.54 3.38 0.00 -0.83 -4.98 105.19 109.38 2a1f n GLY 136 Ca 0.15 0.00 -0.29 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 -2.56 4.18 0.87 1.61 0.01 -1.26 -5.06 114.94 112.72 2a1f s ASN 137 Ca 0.00 -0.49 -0.12 0.00 -0.71 0.00 0.00 52.86 51.54 2a1f s ASN 137 Cb 0.00 -0.71 0.11 0.00 0.41 0.00 0.00 41.25 41.06 2a1f s ASN 137 CO 0.00 0.16 1.13 -2.16 -1.51 0.00 0.00 177.10 174.73 2a1f s PRO 138 N -2.31 1.50 -0.93 -0.60 0.04 -1.26 -4.30 135.00 127.14 2a1f s PRO 138 Ca 0.21 0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.59 2a1f s PRO 138 Cb -0.10 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2a1f s PRO 138 CO 0.13 -1.96 0.00 1.19 0.04 0.00 0.00 177.00 176.39 2a1f n PHE 139 N -3.62 0.00 -3.90 0.56 3.72 -1.26 -5.00 117.46 107.97 2a1f n PHE 139 Ca 0.07 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.20 2a1f n PHE 139 Cb 0.59 -1.85 -0.17 0.00 -0.94 0.00 0.00 39.48 37.11 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 -2.24 1.49 0.96 1.38 0.40 -1.26 -5.13 117.98 113.58 2a1f s PHE 140 Ca 0.00 -0.79 -0.12 0.00 -0.60 0.00 0.00 56.93 55.42 2a1f s PHE 140 Cb 0.00 -1.23 0.17 0.00 0.51 0.00 0.00 43.02 42.47 2a1f s PHE 140 CO 0.00 -0.53 1.09 0.95 0.70 0.00 0.00 175.22 177.43 2a1f s THR 141 N 1.71 2.32 0.43 0.64 -4.23 -1.26 -4.87 115.64 110.38 2a1f s THR 141 Ca 0.04 0.11 0.09 0.00 -1.18 0.00 0.00 61.69 60.74 2a1f s THR 141 Cb -0.13 -2.56 0.26 0.00 1.34 0.00 0.00 72.50 71.40 2a1f s THR 141 CO -0.08 -0.14 2.06 0.74 -0.54 0.00 0.00 174.62 176.66 2a1f h THR 142 N -1.79 1.09 -0.78 3.99 2.02 -1.99 -2.25 112.91 113.19 2a1f h THR 142 Ca -0.53 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 2a1f h THR 142 Cb 1.31 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 68.34 2a1f h THR 142 CO 0.56 0.10 0.43 0.44 0.37 0.00 0.00 175.52 177.41 2a1f h ASP 143 N 0.42 0.97 -0.55 4.18 3.32 -1.99 -0.69 116.42 122.09 2a1f h ASP 143 Ca 0.11 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 2a1f h ASP 143 Cb -0.01 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 2a1f h ASP 143 CO -0.02 0.78 0.08 0.28 -1.72 0.00 0.00 179.24 178.63 2a1f h SER 144 N 1.09 0.88 -0.24 6.45 0.02 -1.76 -1.43 113.55 118.56 2a1f h SER 144 Ca 0.28 -0.27 0.04 0.00 -0.84 0.00 0.00 61.79 61.00 2a1f h SER 144 Cb 0.02 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.30 2a1f h SER 144 CO -0.04 0.93 0.03 0.74 -1.14 0.00 0.00 176.83 177.34 2a1f h THR 145 N 0.80 0.86 -0.24 -2.27 2.02 -1.19 0.49 112.91 113.38 2a1f h THR 145 Ca 0.16 -0.04 0.05 0.00 0.77 0.00 0.00 66.41 67.36 2a1f h THR 145 Cb 0.43 0.74 -0.05 0.00 -1.74 0.00 0.00 68.15 67.53 2a1f h THR 145 CO 0.01 0.02 -0.07 0.00 0.37 0.00 0.00 175.52 175.85 2a1f h ALA 146 N 1.19 0.14 -0.14 6.16 0.00 -0.93 0.33 119.26 126.01 2a1f h ALA 146 Ca 0.11 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2a1f h ALA 146 Cb 0.13 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2a1f h ALA 146 CO -0.17 -0.48 0.08 0.00 0.00 0.00 0.00 179.25 178.68 2a1f h LEU 148 N 0.13 0.10 -0.66 0.00 5.85 -0.63 -1.53 115.31 118.58 2a1f h LEU 148 Ca 0.05 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 2a1f h LEU 148 Cb 0.07 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 2a1f h LEU 148 CO -0.01 0.08 0.09 0.03 -0.34 0.00 0.00 178.44 178.29 2a1f h ARG 149 N 0.12 1.10 -0.48 1.25 2.47 -0.30 -1.40 114.38 117.13 2a1f h ARG 149 Ca 0.03 -0.30 0.05 0.00 -1.26 0.00 0.00 59.98 58.49 2a1f h ARG 149 Cb -0.01 -0.12 -0.04 0.00 -1.65 0.00 0.00 29.97 28.14 2a1f h ARG 149 CO -0.01 1.02 0.22 0.78 0.56 0.00 0.00 179.97 182.55 2a1f h GLY 150 N 1.02 0.66 0.76 0.04 0.00 -0.80 -0.75 103.07 103.99 2a1f h GLY 150 Ca 0.20 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 2a1f h GLY 150 CO 0.02 0.08 0.01 -2.22 0.00 0.00 0.00 176.54 174.43 2a1f h ILE 151 N 0.44 1.22 -0.68 2.60 2.04 -1.11 -0.19 117.51 121.84 2a1f h ILE 151 Ca 0.22 -0.69 0.04 0.00 1.00 0.00 0.00 64.86 65.43 2a1f h ILE 151 Cb 0.15 1.57 -0.05 0.00 -0.74 0.00 0.00 36.82 37.76 2a1f h ILE 151 CO -0.17 0.19 0.41 -0.33 0.00 0.00 0.00 178.15 178.25 2a1f h GLU 152 N -0.16 0.76 -0.36 2.37 5.08 -0.88 -2.22 114.58 119.17 2a1f h GLU 152 Ca 0.02 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2a1f h GLU 152 Cb 0.29 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2a1f h GLU 152 CO 0.00 0.50 0.00 0.44 -1.00 0.00 0.00 179.01 178.96 2a1f n ILE 153 N -4.71 0.48 -3.55 3.13 -6.64 -0.32 -4.92 119.36 102.82 2a1f n ILE 153 Ca 0.07 -0.55 -0.19 0.00 -1.77 0.00 0.00 62.75 60.31 2a1f n ILE 153 Cb 0.11 0.41 0.07 0.00 -1.44 0.00 0.00 39.64 38.79 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 0.77 -6.06 -2.31 6.28 1.02 -0.67 -4.92 120.64 114.75 2a1f n GLU 154 Ca 0.16 0.76 -0.36 0.00 -0.02 0.00 0.00 57.16 57.69 2a1f n GLU 154 Cb 0.40 -5.61 -0.01 0.00 -0.02 0.00 0.00 31.44 26.19 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 -3.47 2.94 0.16 0.62 0.00 -0.17 -4.92 121.76 116.93 2a1f s ALA 155 Ca 0.06 0.87 0.28 0.00 0.00 0.00 0.00 51.96 53.17 2a1f s ALA 155 Cb -0.03 -3.36 1.15 0.00 0.00 0.00 0.00 23.12 20.89 2a1f s ALA 155 CO 0.76 -0.60 1.91 -0.44 0.00 0.00 0.00 175.76 177.40 2a1f h ASP 156 N 1.95 0.00 -4.50 0.00 3.32 -0.93 -3.47 116.42 112.80 2a1f h ASP 156 Ca -0.49 0.00 0.08 0.00 0.02 0.00 0.00 57.03 56.63 2a1f h ASP 156 Cb 1.24 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.61 2a1f h ASP 156 CO 0.60 0.13 0.47 0.54 -1.72 0.00 0.00 179.24 179.26 2a1f s VAL 157 N -3.72 0.00 -0.28 -1.35 0.11 -1.25 -4.49 120.40 109.41 2a1f s VAL 157 Ca 0.00 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.01 2a1f s VAL 157 Cb 0.10 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.97 2a1f s VAL 157 CO 0.60 0.00 0.02 -0.69 -3.33 0.00 0.00 175.10 171.69 2a1f s VAL 158 N -2.21 3.41 -0.52 2.04 1.01 -0.72 -1.61 120.40 121.80 2a1f s VAL 158 Ca 0.01 -0.95 -0.23 0.00 0.00 0.00 0.00 61.98 60.81 2a1f s VAL 158 Cb -0.01 -2.79 0.04 0.00 0.00 0.00 0.00 36.38 33.63 2a1f s VAL 158 CO -0.03 0.08 0.84 -0.76 0.00 0.00 0.00 175.10 175.22 2a1f s LEU 159 N 1.39 4.32 -0.71 3.92 1.43 0.28 -1.21 118.68 128.11 2a1f s LEU 159 Ca 0.00 -0.41 -0.24 0.00 -1.03 0.00 0.00 54.13 52.45 2a1f s LEU 159 Cb -0.18 -2.78 0.06 0.00 0.03 0.00 0.00 46.19 43.32 2a1f s LEU 159 CO -0.01 -1.08 1.10 -0.75 0.23 0.00 0.00 176.35 175.85 2a1f s LYS 160 N 3.51 3.16 0.22 1.70 2.20 0.12 -1.07 119.74 129.58 2a1f s LYS 160 Ca 0.27 -0.63 -0.30 0.00 -0.36 0.00 0.00 55.97 54.95 2a1f s LYS 160 Cb -0.14 -4.25 -0.09 0.00 -1.51 0.00 0.00 37.83 31.84 2a1f s LYS 160 CO 0.18 -1.95 1.17 0.00 -0.36 0.00 0.00 175.35 174.39 2a1f s ALA 161 N 4.70 3.43 0.12 3.13 0.00 -0.79 -2.29 121.76 130.06 2a1f s ALA 161 Ca 0.28 0.95 0.02 0.00 0.00 0.00 0.00 51.96 53.20 2a1f s ALA 161 Cb -0.13 -3.39 -0.01 0.00 0.00 0.00 0.00 23.12 19.60 2a1f s ALA 161 CO 0.11 -0.32 0.12 0.25 0.00 0.00 0.00 175.76 175.92 2a1f n THR 162 N 2.01 0.00 0.28 0.00 -2.24 -0.16 -4.52 114.28 109.64 2a1f n THR 162 Ca 0.02 -0.78 0.10 0.00 -2.27 0.00 0.00 64.05 61.12 2a1f n THR 162 Cb 0.45 0.41 0.18 0.00 -2.10 0.00 0.00 70.33 69.27 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 -0.21 2.29 -4.52 -0.78 4.76 -1.26 -1.95 118.16 116.48 2a1f n LYS 163 Ca 0.02 -2.10 -0.25 0.00 -2.87 0.00 0.00 58.31 53.11 2a1f n LYS 163 Cb 0.21 -1.44 -0.09 0.00 -1.84 0.00 0.00 35.03 31.86 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 -1.36 0.98 -0.16 -0.18 -7.23 -1.26 -4.85 120.40 106.34 2a1f s VAL 164 Ca 0.33 -2.00 0.20 0.00 -1.81 0.00 0.00 61.98 58.70 2a1f s VAL 164 Cb 0.19 -2.55 0.20 0.00 0.56 0.00 0.00 36.38 34.78 2a1f s VAL 164 CO 0.27 0.00 1.61 0.44 -0.31 0.00 0.00 175.10 177.11 2a1f h ASP 165 N 1.88 0.00 0.00 4.85 3.45 -1.93 -2.72 116.42 121.95 2a1f h ASP 165 Ca -0.39 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.07 2a1f h ASP 165 Cb 1.26 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.03 2a1f h ASP 165 CO 0.65 0.27 0.00 0.61 -1.57 0.00 0.00 179.24 179.20 2a1f n GLY 166 N 0.88 -0.70 3.65 2.75 0.00 -1.26 -4.01 105.19 106.50 2a1f n GLY 166 Ca 0.02 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.69 5.06 0.56 1.61 1.01 -1.26 -4.96 120.40 118.73 2a1f s VAL 167 Ca 0.00 1.03 0.06 0.00 0.00 0.00 0.00 61.98 63.07 2a1f s VAL 167 Cb 0.00 -3.88 0.05 0.00 0.00 0.00 0.00 36.38 32.55 2a1f s VAL 167 CO 0.00 0.13 0.48 -0.31 0.00 0.00 0.00 175.10 175.40 2a1f s TYR 168 N 1.88 1.46 -0.20 5.22 1.51 -1.26 -0.88 117.35 125.07 2a1f s TYR 168 Ca 0.25 -0.86 0.28 0.00 -1.01 0.00 0.00 57.07 55.73 2a1f s TYR 168 Cb -0.16 -1.94 0.85 0.00 -0.11 0.00 0.00 41.96 40.61 2a1f s TYR 168 CO 0.10 -0.64 1.79 -0.44 -1.11 0.00 0.00 175.55 175.25 2a1f h ASP 169 N 0.61 0.00 0.00 2.29 3.32 -1.90 -3.45 116.42 117.29 2a1f h ASP 169 Ca -0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.70 2a1f h ASP 169 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 2a1f h ASP 169 CO 0.54 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 178.06 2a1f s ALA 178 N -1.53 -2.79 -0.18 0.00 0.00 -1.26 -5.12 121.76 110.88 2a1f s ALA 178 Ca 0.00 0.83 -0.16 0.00 0.00 0.00 0.00 51.96 52.63 2a1f s ALA 178 Cb 0.00 -2.69 -0.04 0.00 0.00 0.00 0.00 23.12 20.39 2a1f s ALA 178 CO 0.00 -2.06 0.39 0.15 0.00 0.00 0.00 175.76 174.24 2a1f s LYS 179 N 2.43 4.23 -0.13 0.00 -0.14 -1.26 -5.06 119.74 119.81 2a1f s LYS 179 Ca 0.15 0.23 -0.29 0.00 -1.36 0.00 0.00 55.97 54.70 2a1f s LYS 179 Cb -0.06 -3.49 -0.01 0.00 -1.68 0.00 0.00 37.83 32.59 2a1f s LYS 179 CO -0.18 0.06 0.98 -1.17 -0.76 0.00 0.00 175.35 174.28 2a1f s LEU 180 N 0.98 4.22 0.17 3.17 2.96 -1.26 -2.50 118.68 126.43 2a1f s LEU 180 Ca 0.20 1.46 -0.28 0.00 -0.22 0.00 0.00 54.13 55.29 2a1f s LEU 180 Cb -0.14 -3.50 -0.08 0.00 0.50 0.00 0.00 46.19 42.97 2a1f s LEU 180 CO 0.07 -0.46 0.86 -0.31 -1.32 0.00 0.00 176.35 175.20 2a1f s TYR 181 N 2.12 3.91 -0.17 5.38 1.51 -0.06 -4.98 117.35 125.07 2a1f s TYR 181 Ca 0.46 1.74 0.12 0.00 -1.01 0.00 0.00 57.07 58.39 2a1f s TYR 181 Cb -0.18 -2.88 -0.23 0.00 -0.11 0.00 0.00 41.96 38.56 2a1f s TYR 181 CO 0.16 0.44 0.17 1.17 -1.11 0.00 0.00 175.55 176.38 2a1f n LYS 182 N 1.82 0.68 -3.81 -0.62 4.81 -1.26 -4.38 118.16 115.40 2a1f n LYS 182 Ca -0.03 0.10 -0.14 0.00 -0.87 0.00 0.00 58.31 57.38 2a1f n LYS 182 Cb 0.48 -1.59 -0.15 0.00 0.02 0.00 0.00 35.03 33.79 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 -5.90 0.02 0.00 3.14 0.01 -1.26 -1.51 114.94 109.45 2a1f s ASN 183 Ca -0.14 0.06 -0.07 0.00 -0.71 0.00 0.00 52.86 52.00 2a1f s ASN 183 Cb 0.07 -0.01 0.00 0.00 0.41 0.00 0.00 41.25 41.72 2a1f s ASN 183 CO 0.79 -0.08 0.13 -0.76 -1.51 0.00 0.00 177.10 175.66 2a1f s LEU 184 N 0.64 1.60 0.59 0.60 1.43 -0.71 -4.98 118.68 117.86 2a1f s LEU 184 Ca -0.05 -0.21 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 2a1f s LEU 184 Cb -0.08 0.63 0.06 0.00 0.03 0.00 0.00 46.19 46.83 2a1f s LEU 184 CO -0.02 -0.35 0.82 -0.94 0.23 0.00 0.00 176.35 176.09 2a1f s SER 185 N -1.34 5.07 0.10 2.29 1.04 -1.26 -1.78 113.70 117.82 2a1f s SER 185 Ca -0.14 -0.12 -0.16 0.00 0.48 0.00 0.00 55.95 56.01 2a1f s SER 185 Cb -0.08 -0.64 -0.07 0.00 0.10 0.00 0.00 66.02 65.34 2a1f s SER 185 CO 0.01 -1.30 1.47 1.88 0.98 0.00 0.00 173.24 176.28 2a1f h TYR 186 N -0.05 0.74 -0.24 5.02 -1.99 -1.93 -2.53 116.97 115.98 2a1f h TYR 186 Ca -0.40 -0.18 0.06 0.00 2.00 0.00 0.00 58.73 60.21 2a1f h TYR 186 Cb 1.29 -0.17 -0.07 0.00 2.00 0.00 0.00 36.73 39.78 2a1f h TYR 186 CO 0.25 0.86 -0.30 0.00 -0.00 0.00 0.00 178.16 178.98 2a1f h ALA 187 N 0.77 -0.24 -0.34 3.88 0.00 -1.95 -2.39 119.26 118.99 2a1f h ALA 187 Ca 0.07 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.11 2a1f h ALA 187 Cb 0.66 0.60 -0.07 0.00 0.00 0.00 0.00 17.79 18.98 2a1f h ALA 187 CO 0.04 -0.74 -0.13 1.49 0.00 0.00 0.00 179.25 179.92 2a1f h GLU 188 N -0.31 -0.06 -0.63 0.00 4.81 -1.93 0.11 114.58 116.57 2a1f h GLU 188 Ca 0.13 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.45 2a1f h GLU 188 Cb 0.52 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.84 2a1f h GLU 188 CO -0.42 -0.04 0.27 0.28 -0.73 0.00 0.00 179.01 178.38 2a1f h VAL 189 N -0.06 0.81 -0.20 0.32 2.07 -1.17 0.40 116.25 118.42 2a1f h VAL 189 Ca 0.17 -0.16 -0.21 0.00 0.82 0.00 0.00 66.70 67.31 2a1f h VAL 189 Cb 0.32 0.29 0.01 0.00 -1.52 0.00 0.00 31.29 30.39 2a1f h VAL 189 CO -0.38 0.09 -0.71 0.40 0.02 0.00 0.00 177.57 176.99 2a1f h ILE 190 N 0.48 1.27 -0.34 4.57 2.04 -0.92 0.54 117.51 125.15 2a1f h ILE 190 Ca 0.31 -1.89 -0.15 0.00 1.00 0.00 0.00 64.86 64.13 2a1f h ILE 190 Cb 0.36 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 2a1f h ILE 190 CO -0.28 0.61 -0.38 0.44 0.00 0.00 0.00 178.15 178.54 2a1f h ASP 191 N 0.59 0.87 0.19 1.72 3.45 -0.63 -2.90 116.42 119.71 2a1f h ASP 191 Ca -0.03 -0.39 0.00 0.00 0.43 0.00 0.00 57.03 57.04 2a1f h ASP 191 Cb 1.33 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 39.86 2a1f h ASP 191 CO 0.15 1.15 -0.17 0.29 -1.57 0.00 0.00 179.24 179.08 2a1f n LYS 192 N -4.05 1.02 -3.77 3.56 5.02 0.10 -4.95 118.16 115.09 2a1f n LYS 192 Ca -0.02 -0.57 -0.27 0.00 -2.02 0.00 0.00 58.31 55.43 2a1f n LYS 192 Cb 0.53 -1.49 0.05 0.00 -0.02 0.00 0.00 35.03 34.10 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 -0.49 -6.36 -2.58 1.97 1.02 -0.16 -4.94 120.64 109.11 2a1f n GLU 193 Ca 0.14 0.69 -0.39 0.00 -0.02 0.00 0.00 57.16 57.59 2a1f n GLU 193 Cb 0.34 -5.61 -0.05 0.00 -0.02 0.00 0.00 31.44 26.10 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 -7.19 4.42 -0.41 -4.62 1.43 0.00 -4.99 118.68 107.32 2a1f s LEU 194 Ca 0.54 2.10 -0.25 0.00 -1.03 0.00 0.00 54.13 55.49 2a1f s LEU 194 Cb -0.26 -3.83 0.02 0.00 0.03 0.00 0.00 46.19 42.15 2a1f s LEU 194 CO 0.79 -0.19 0.91 -1.59 0.23 0.00 0.00 176.35 176.50 2a1f s LYS 195 N -1.78 3.68 0.22 1.70 -2.85 -1.26 -4.76 119.74 114.69 2a1f s LYS 195 Ca 0.48 0.34 0.00 0.00 -1.00 0.00 0.00 55.97 55.80 2a1f s LYS 195 Cb -0.26 -3.86 0.00 0.00 -2.06 0.00 0.00 37.83 31.64 2a1f s LYS 195 CO 0.34 -1.07 0.00 0.28 0.10 0.00 0.00 175.35 175.00 2a1f n VAL 196 N 6.17 0.49 -3.90 1.79 0.31 -1.26 -4.85 118.33 117.07 2a1f n VAL 196 Ca 0.06 0.16 -0.08 0.00 -0.01 0.00 0.00 64.34 64.47 2a1f n VAL 196 Cb 0.48 -0.94 -0.03 0.00 -0.91 0.00 0.00 33.84 32.45 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 -2.00 1.76 0.86 5.55 0.23 -1.26 -5.13 119.30 119.31 2a1f s MET 197 Ca 0.00 -1.13 -0.11 0.00 -1.03 0.00 0.00 55.69 53.41 2a1f s MET 197 Cb 0.00 0.57 0.11 0.00 -1.53 0.00 0.00 34.83 33.98 2a1f s MET 197 CO 0.00 -0.79 1.16 0.16 -2.03 0.00 0.00 175.02 173.52 2a1f s ASP 198 N -2.97 3.34 0.38 -1.18 1.47 -1.26 -4.70 116.67 111.75 2a1f s ASP 198 Ca 0.15 2.22 0.08 0.00 1.18 0.00 0.00 52.55 56.19 2a1f s ASP 198 Cb -0.04 -2.57 0.76 0.00 -0.34 0.00 0.00 42.92 40.73 2a1f s ASP 198 CO 0.08 -2.82 1.93 0.25 0.68 0.00 0.00 175.17 175.29 2a1f h LEU 199 N -1.41 0.32 -0.25 2.11 5.85 -2.02 -1.05 115.31 118.86 2a1f h LEU 199 Ca -0.44 -0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.10 2a1f h LEU 199 Cb 1.27 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.22 2a1f h LEU 199 CO 0.44 0.41 -0.31 0.77 -0.34 0.00 0.00 178.44 179.42 2a1f h SER 200 N 0.33 0.70 0.27 1.25 4.64 -1.99 -0.77 113.55 117.99 2a1f h SER 200 Ca 0.07 -0.49 -0.01 0.00 -0.47 0.00 0.00 61.79 60.88 2a1f h SER 200 Cb 0.30 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2a1f h SER 200 CO 0.01 1.05 -0.13 0.00 -0.87 0.00 0.00 176.83 176.90 2a1f h ALA 201 N 0.67 -0.37 -0.99 5.18 0.00 -1.80 -2.36 119.26 119.58 2a1f h ALA 201 Ca 0.03 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.85 2a1f h ALA 201 Cb 0.88 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 2a1f h ALA 201 CO 0.07 -0.61 0.64 0.35 0.00 0.00 0.00 179.25 179.71 2a1f h PHE 202 N -0.56 1.20 -0.21 0.00 3.57 -1.26 -1.38 116.94 118.30 2a1f h PHE 202 Ca -0.04 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 2a1f h PHE 202 Cb 0.41 -0.40 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 2a1f h PHE 202 CO -0.01 0.67 -0.16 1.15 -2.23 0.00 0.00 178.31 177.73 2a1f h THR 203 N 1.22 1.22 -0.14 4.41 2.02 -1.07 -0.52 112.91 120.04 2a1f h THR 203 Ca 0.41 -0.98 -0.05 0.00 0.77 0.00 0.00 66.41 66.55 2a1f h THR 203 Cb 0.07 1.24 -0.00 0.00 -1.74 0.00 0.00 68.15 67.72 2a1f h THR 203 CO -0.14 0.31 -0.12 0.25 0.37 0.00 0.00 175.52 176.19 2a1f h LEU 204 N 0.33 0.34 -0.58 2.58 5.85 -0.72 -1.28 115.31 121.83 2a1f h LEU 204 Ca 0.06 -0.46 0.04 0.00 0.84 0.00 0.00 57.88 58.35 2a1f h LEU 204 Cb 0.48 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 2a1f h LEU 204 CO 0.03 0.74 0.34 0.00 -0.34 0.00 0.00 178.44 179.20 2a1f h ALA 205 N 0.62 0.76 0.20 1.25 0.00 -1.19 -2.87 119.26 118.02 2a1f h ALA 205 Ca 0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2a1f h ALA 205 Cb 0.63 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2a1f h ALA 205 CO 0.03 0.04 -0.12 -0.09 0.00 0.00 0.00 179.25 179.11 2a1f h ARG 206 N 0.65 -0.30 0.00 0.00 2.43 -0.96 0.61 114.38 116.81 2a1f h ARG 206 Ca 0.24 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 2a1f h ARG 206 Cb 0.08 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 2a1f h ARG 206 CO -0.13 -0.20 0.00 -0.44 -1.51 0.00 0.00 179.97 177.69 2a1f h ASP 207 N -0.31 0.00 -0.01 -3.80 5.19 -1.23 -2.68 116.42 113.58 2a1f h ASP 207 Ca -0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 2a1f h ASP 207 Cb 0.26 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.77 2a1f h ASP 207 CO 0.02 0.00 -0.36 1.41 -3.12 0.00 0.00 179.24 177.19 2a1f n HIS 208 N -2.89 0.00 -2.27 4.55 8.25 -1.09 -5.00 115.22 116.77 2a1f n HIS 208 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 2a1f n HIS 208 Cb 0.23 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.34 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 1.12 -0.06 3.62 -1.41 0.00 -0.10 -4.99 105.19 103.36 2a1f n GLY 209 Ca 0.05 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 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 -4.63 3.85 0.68 1.61 0.00 0.01 -4.92 119.30 115.91 2a1f s MET 210 Ca 0.02 0.90 -0.15 0.00 0.00 0.00 0.00 55.69 56.46 2a1f s MET 210 Cb -0.01 -3.86 0.01 0.00 0.00 0.00 0.00 34.83 30.97 2a1f s MET 210 CO 0.03 -1.20 1.14 -1.25 0.00 0.00 0.00 175.02 173.73 2a1f s PRO 211 N 4.20 2.60 -0.05 4.11 0.04 -1.26 -4.69 135.00 139.95 2a1f s PRO 211 Ca 0.50 1.50 0.04 0.00 0.04 0.00 0.00 61.00 63.08 2a1f s PRO 211 Cb -0.11 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2a1f s PRO 211 CO 0.25 -1.43 -0.16 0.42 0.04 0.00 0.00 177.00 176.12 2a1f s ILE 212 N -2.24 1.39 -0.16 0.56 1.01 -0.56 -1.75 121.20 119.45 2a1f s ILE 212 Ca 0.69 -0.68 -0.02 0.00 0.00 0.00 0.00 60.65 60.64 2a1f s ILE 212 Cb -0.23 -1.21 -0.01 0.00 0.01 0.00 0.00 42.46 41.02 2a1f s ILE 212 CO 0.42 0.40 -0.09 -0.13 0.00 0.00 0.00 174.94 175.55 2a1f s ARG 213 N 0.18 3.42 -0.27 2.79 1.81 -0.35 0.03 118.95 126.56 2a1f s ARG 213 Ca -0.07 -0.64 -0.06 0.00 -1.72 0.00 0.00 55.73 53.24 2a1f s ARG 213 Cb -0.13 -2.79 -0.00 0.00 -0.45 0.00 0.00 34.95 31.58 2a1f s ARG 213 CO 0.03 0.08 0.05 0.08 -0.68 0.00 0.00 175.30 174.86 2a1f s VAL 214 N 0.72 3.91 0.29 3.52 1.01 0.09 0.14 120.40 130.08 2a1f s VAL 214 Ca -0.04 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.43 2a1f s VAL 214 Cb -0.15 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 2a1f s VAL 214 CO 0.02 0.20 0.20 0.72 0.00 0.00 0.00 175.10 176.24 2a1f s PHE 215 N 1.52 1.54 -0.60 5.22 -0.12 -0.97 -0.92 117.98 123.65 2a1f s PHE 215 Ca 0.04 -1.50 -0.14 0.00 -0.05 0.00 0.00 56.93 55.28 2a1f s PHE 215 Cb -0.16 -0.71 0.15 0.00 -0.63 0.00 0.00 43.02 41.67 2a1f s PHE 215 CO 0.02 -0.70 0.54 1.21 -0.05 0.00 0.00 175.22 176.23 2a1f s ASN 216 N -3.31 6.21 0.32 1.98 3.84 -1.03 -0.99 114.94 121.96 2a1f s ASN 216 Ca 0.39 -2.06 0.26 0.00 0.21 0.00 0.00 52.86 51.66 2a1f s ASN 216 Cb 0.04 -2.16 0.94 0.00 -0.55 0.00 0.00 41.25 39.52 2a1f s ASN 216 CO 0.20 -0.75 1.77 -0.03 -2.79 0.00 0.00 177.10 175.51 2a1f h MET 217 N 8.49 0.00 -0.80 0.43 1.85 -1.67 -3.04 114.93 120.19 2a1f h MET 217 Ca -0.18 0.00 0.07 0.00 -0.61 0.00 0.00 59.70 58.98 2a1f h MET 217 Cb 1.08 0.00 -0.05 0.00 0.43 0.00 0.00 31.60 33.05 2a1f h MET 217 CO 0.93 0.00 0.52 0.78 -0.40 0.00 0.00 176.91 178.75 2a1f h GLY 218 N 3.03 1.10 -6.10 1.39 0.00 -1.89 -3.40 103.07 97.19 2a1f h GLY 218 Ca 0.00 -0.34 -0.57 0.00 0.00 0.00 0.00 47.33 46.42 2a1f h GLY 218 CO 0.00 0.23 0.97 0.54 0.00 0.00 0.00 176.54 178.28 2a1f s LYS 219 N -5.75 3.86 0.15 4.80 1.02 -1.15 -5.00 119.74 117.67 2a1f s LYS 219 Ca -0.10 1.14 -0.33 0.00 0.02 0.00 0.00 55.97 56.69 2a1f s LYS 219 Cb 0.20 -3.89 -0.13 0.00 -0.52 0.00 0.00 37.83 33.48 2a1f s LYS 219 CO 0.78 -1.19 1.64 -2.30 -0.92 0.00 0.00 175.35 173.36 2a1f n PRO 220 N 7.43 2.28 0.00 -1.68 -0.02 -1.26 -2.12 135.00 139.62 2a1f n PRO 220 Ca 0.15 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 2a1f n PRO 220 Cb 0.47 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 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 3.61 2.99 0.33 -1.23 0.00 -1.26 -4.95 105.19 104.69 2a1f n GLY 221 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.17 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 1.29 -0.35 4.61 0.00 -1.69 -1.98 119.26 121.15 2a1f h ALA 222 Ca 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.79 2a1f h ALA 222 Cb 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2a1f h ALA 222 CO 0.00 0.55 0.19 1.25 0.00 0.00 0.00 179.25 181.24 2a1f h LEU 223 N 0.97 0.29 -0.72 0.00 5.85 -1.84 -0.67 115.31 119.19 2a1f h LEU 223 Ca 0.24 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.89 2a1f h LEU 223 Cb 0.10 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 2a1f h LEU 223 CO -0.03 0.22 0.12 -0.09 -0.34 0.00 0.00 178.44 178.31 2a1f h ARG 224 N 0.39 1.10 -0.81 1.25 2.43 -1.86 -2.14 114.38 114.74 2a1f h ARG 224 Ca 0.14 -0.28 0.01 0.00 -0.81 0.00 0.00 59.98 59.03 2a1f h ARG 224 Cb 0.03 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.40 2a1f h ARG 224 CO -0.08 1.00 0.53 1.96 -1.51 0.00 0.00 179.97 181.87 2a1f h GLN 225 N 1.03 1.08 -0.22 0.20 4.20 -1.05 -1.92 115.11 118.43 2a1f h GLN 225 Ca 0.21 -0.07 -0.20 0.00 0.06 0.00 0.00 58.65 58.65 2a1f h GLN 225 Cb 0.42 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.97 2a1f h GLN 225 CO 0.01 0.72 -0.64 0.28 -0.67 0.00 0.00 178.83 178.53 2a1f h VAL 226 N 1.11 1.28 0.00 -0.54 2.07 -0.83 -2.23 116.25 117.11 2a1f h VAL 226 Ca 0.30 -1.85 0.00 0.00 0.82 0.00 0.00 66.70 65.97 2a1f h VAL 226 Cb -0.11 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 2a1f h VAL 226 CO -0.06 0.59 0.00 0.58 0.02 0.00 0.00 177.57 178.70 2a1f h VAL 227 N 0.58 0.00 -0.08 2.57 2.07 -1.29 -3.33 116.25 116.78 2a1f h VAL 227 Ca -0.01 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.64 2a1f h VAL 227 Cb 1.25 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.89 2a1f h VAL 227 CO 0.14 0.00 0.00 0.35 0.02 0.00 0.00 177.57 178.08 2a1f n THR 228 N -3.03 1.17 -3.54 2.57 -2.24 -0.73 -0.57 114.28 107.91 2a1f n THR 228 Ca 0.03 -1.20 -0.09 0.00 -2.27 0.00 0.00 64.05 60.53 2a1f n THR 228 Cb 0.48 0.37 -0.02 0.00 -2.10 0.00 0.00 70.33 69.06 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 -1.28 -0.46 0.00 3.38 0.00 -0.84 -4.45 107.32 103.67 2a1f s GLY 229 Ca 0.10 0.58 0.20 0.00 0.00 0.00 0.00 44.72 45.61 2a1f s GLY 229 CO 0.04 0.19 0.96 -0.37 0.00 0.00 0.00 173.10 173.92 2a1f n THR 230 N -0.34 0.00 -0.07 0.90 5.66 -1.26 -4.51 114.28 114.66 2a1f n THR 230 Ca -0.11 -0.22 -0.12 0.00 -3.05 0.00 0.00 64.05 60.55 2a1f n THR 230 Cb 0.63 1.18 -0.15 0.00 -1.55 0.00 0.00 70.33 70.44 2a1f n THR 230 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2a1f n GLU 231 N -0.41 0.67 -1.80 1.09 -0.58 -1.26 -4.92 120.64 113.44 2a1f n GLU 231 Ca 0.07 0.14 -0.42 0.00 -0.42 0.00 0.00 57.16 56.53 2a1f n GLU 231 Cb 0.40 -1.63 -0.02 0.00 -0.57 0.00 0.00 31.44 29.61 2a1f n GLU 231 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2a1f s GLU 232 N -2.54 4.15 2.23 3.49 0.41 -1.26 -4.80 118.70 120.38 2a1f s GLU 232 Ca -0.13 2.54 0.00 0.00 -0.41 0.00 0.00 54.97 56.97 2a1f s GLU 232 Cb 0.07 -3.07 0.00 0.00 -1.78 0.00 0.00 34.13 29.35 2a1f s GLU 232 CO 0.79 -0.67 0.00 0.41 -0.49 0.00 0.00 175.26 175.30 2a1f n GLY 233 N 3.20 -1.05 3.51 -1.39 0.00 -1.26 -4.82 105.19 103.39 2a1f n GLY 233 Ca 0.12 -1.22 -0.33 0.00 0.00 0.00 0.00 46.02 44.59 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 3.44 -0.17 2.61 2.01 -0.10 -4.66 115.64 118.78 2a1f s THR 234 Ca 0.00 -0.56 -0.03 0.00 0.31 0.00 0.00 61.69 61.41 2a1f s THR 234 Cb 0.00 -2.41 -0.02 0.00 0.01 0.00 0.00 72.50 70.08 2a1f s THR 234 CO 0.00 0.57 -0.07 -0.89 -0.69 0.00 0.00 174.62 173.55 2a1f s THR 235 N -0.49 3.45 -0.19 -0.82 2.01 -0.57 -0.73 115.64 118.31 2a1f s THR 235 Ca 0.07 -0.50 -0.02 0.00 0.31 0.00 0.00 61.69 61.55 2a1f s THR 235 Cb -0.12 -2.51 -0.01 0.00 0.01 0.00 0.00 72.50 69.87 2a1f s THR 235 CO 0.02 0.48 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.71 2a1f s ILE 236 N 0.73 3.07 0.27 1.82 1.01 0.10 -1.73 121.20 126.47 2a1f s ILE 236 Ca -0.03 -0.61 -0.06 0.00 0.00 0.00 0.00 60.65 59.95 2a1f s ILE 236 Cb -0.15 -2.35 -0.01 0.00 0.01 0.00 0.00 42.46 39.96 2a1f s ILE 236 CO 0.02 0.47 0.38 0.00 0.00 0.00 0.00 174.94 175.82 2a1f s GLU 238 N -3.69 4.38 0.00 0.00 2.12 -1.26 -3.45 118.70 116.80 2a1f s GLU 238 Ca 0.30 2.00 0.13 0.00 0.36 0.00 0.00 54.97 57.76 2a1f s GLU 238 Cb 0.01 -3.24 0.76 0.00 0.26 0.00 0.00 34.13 31.92 2a1f s GLU 238 CO 0.14 -0.32 1.19 0.41 -0.54 0.00 0.00 175.26 176.15