#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f8i s SER 2 N 0.00 -0.47 0.00 0.00 0.15 -1.26 -5.03 113.70 107.10 1f8i s SER 2 Ca 0.00 0.53 0.24 0.00 0.70 0.00 0.00 55.95 57.42 1f8i s SER 2 Cb 0.00 0.42 0.33 0.00 -1.71 0.00 0.00 66.02 65.06 1f8i s SER 2 CO 0.00 -0.41 1.35 1.33 1.20 0.00 0.00 173.24 176.71 1f8i n VAL 3 N 0.88 0.30 -1.99 4.45 0.24 -1.26 -4.88 118.33 116.06 1f8i n VAL 3 Ca -0.13 -0.65 -0.42 0.00 -2.04 0.00 0.00 64.34 61.10 1f8i n VAL 3 Cb 0.57 1.20 -0.03 0.00 -1.47 0.00 0.00 33.84 34.11 1f8i n VAL 3 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1f8i s VAL 4 N -1.70 3.08 -0.14 3.34 1.01 -1.26 -2.41 120.40 122.32 1f8i s VAL 4 Ca 0.35 0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.93 1f8i s VAL 4 Cb 0.22 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 33.21 1f8i s VAL 4 CO 0.31 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1f8i n GLY 5 N 3.86 0.48 3.73 4.51 0.00 -1.26 -4.84 105.19 111.67 1f8i n GLY 5 Ca 0.15 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 1f8i n GLY 5 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1f8i n THR 6 N -2.77 1.30 -2.09 2.61 -1.04 -1.01 -0.09 114.28 111.18 1f8i n THR 6 Ca -0.01 -0.32 -0.36 0.00 -2.04 0.00 0.00 64.05 61.31 1f8i n THR 6 Cb 0.14 -1.84 0.02 0.00 -1.82 0.00 0.00 70.33 66.83 1f8i n THR 6 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1f8i s PRO 7 N -0.93 3.26 0.77 -2.82 0.02 -1.26 -4.80 135.00 129.24 1f8i s PRO 7 Ca 0.62 1.83 -0.11 0.00 0.02 0.00 0.00 61.00 63.36 1f8i s PRO 7 Cb -0.53 -2.10 0.05 0.00 0.02 0.00 0.00 34.50 31.94 1f8i s PRO 7 CO 0.53 -0.98 1.08 0.15 -0.33 0.00 0.00 177.00 177.46 1f8i s LYS 8 N -3.11 2.29 0.50 5.54 1.02 -1.26 -5.02 119.74 119.70 1f8i s LYS 8 Ca 0.72 0.97 -0.11 0.00 0.02 0.00 0.00 55.97 57.57 1f8i s LYS 8 Cb -0.30 -1.92 -0.06 0.00 -0.52 0.00 0.00 37.83 35.04 1f8i s LYS 8 CO 0.34 -1.56 0.89 -1.54 -0.92 0.00 0.00 175.35 172.56 1f8i s SER 9 N -3.60 6.43 0.42 2.83 1.04 -1.26 -4.94 113.70 114.62 1f8i s SER 9 Ca 0.60 1.27 0.10 0.00 0.48 0.00 0.00 55.95 58.40 1f8i s SER 9 Cb -0.16 -2.39 0.93 0.00 0.10 0.00 0.00 66.02 64.50 1f8i s SER 9 CO 0.56 -0.59 2.02 0.00 0.98 0.00 0.00 173.24 176.20 1f8i h ALA 10 N 0.60 1.85 -0.36 5.32 0.00 -1.96 -1.91 119.26 122.81 1f8i h ALA 10 Ca -0.46 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1f8i h ALA 10 Cb 1.19 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1f8i h ALA 10 CO 0.62 0.07 0.16 0.93 0.00 0.00 0.00 179.25 181.04 1f8i h GLU 11 N 0.50 0.52 -0.49 0.00 3.07 -1.95 -0.46 114.58 115.77 1f8i h GLU 11 Ca 0.22 -0.08 -0.01 0.00 -0.50 0.00 0.00 59.36 58.99 1f8i h GLU 11 Cb 0.24 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.03 1f8i h GLU 11 CO -0.06 0.48 0.27 1.96 -1.40 0.00 0.00 179.01 180.26 1f8i h GLN 12 N 0.43 0.69 -0.03 2.33 4.20 -1.75 -0.68 115.11 120.31 1f8i h GLN 12 Ca 0.12 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.75 1f8i h GLN 12 Cb 0.14 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1f8i h GLN 12 CO -0.01 0.55 -0.01 0.82 -0.67 0.00 0.00 178.83 179.50 1f8i h ILE 13 N 0.66 0.95 -0.86 2.54 2.04 -1.21 -1.66 117.51 119.97 1f8i h ILE 13 Ca 0.17 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.10 1f8i h ILE 13 Cb 0.06 0.95 -0.06 0.00 -0.74 0.00 0.00 36.82 37.03 1f8i h ILE 13 CO -0.03 0.00 0.53 -0.61 0.00 0.00 0.00 178.15 178.04 1f8i h GLN 14 N -0.01 0.91 -0.50 2.37 5.75 -0.83 -1.70 115.11 121.10 1f8i h GLN 14 Ca 0.02 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.45 1f8i h GLN 14 Cb 0.04 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.36 1f8i h GLN 14 CO -0.04 0.60 0.28 0.37 -2.65 0.00 0.00 178.83 177.40 1f8i h GLN 15 N 0.94 0.70 -0.79 1.69 4.15 -0.67 -1.50 115.11 119.63 1f8i h GLN 15 Ca 0.38 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.72 1f8i h GLN 15 Cb 0.21 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 27.73 1f8i h GLN 15 CO -0.19 0.54 0.48 0.93 -1.93 0.00 0.00 178.83 178.67 1f8i h GLU 16 N 0.67 1.07 -0.35 1.69 5.08 -0.66 -0.35 114.58 121.73 1f8i h GLU 16 Ca 0.18 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 1f8i h GLU 16 Cb 0.05 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 1f8i h GLU 16 CO -0.03 0.75 0.02 -1.49 -1.00 0.00 0.00 179.01 177.26 1f8i h TRP 17 N 1.08 0.55 0.00 4.33 6.55 -0.92 -0.04 115.95 127.51 1f8i h TRP 17 Ca 0.28 -0.05 -0.00 0.00 0.95 0.00 0.00 58.89 60.07 1f8i h TRP 17 Cb -0.05 -0.16 -0.00 0.00 -0.86 0.00 0.00 29.16 28.09 1f8i h TRP 17 CO -0.01 0.53 -0.68 -0.44 -1.05 0.00 0.00 178.44 176.79 1f8i h ASP 18 N 0.52 0.00 0.00 -3.49 3.32 -0.69 -3.41 116.42 112.67 1f8i h ASP 18 Ca 0.11 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.00 1f8i h ASP 18 Cb 0.30 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 1f8i h ASP 18 CO 0.01 0.01 -1.60 0.35 -1.72 0.00 0.00 179.24 176.29 1f8i n THR 19 N -2.82 0.60 -2.12 0.35 -2.24 -0.19 -4.98 114.28 102.87 1f8i n THR 19 Ca 0.01 -0.30 -0.42 0.00 -2.27 0.00 0.00 64.05 61.07 1f8i n THR 19 Cb 0.55 -0.83 -0.03 0.00 -2.10 0.00 0.00 70.33 67.92 1f8i n THR 19 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1f8i s ASN 20 N -4.55 6.76 0.65 3.42 3.84 -0.04 -4.87 114.94 120.15 1f8i s ASN 20 Ca -0.09 2.18 0.36 0.00 0.21 0.00 0.00 52.86 55.51 1f8i s ASN 20 Cb 0.03 -2.55 2.00 0.00 -0.55 0.00 0.00 41.25 40.18 1f8i s ASN 20 CO 0.30 -0.82 2.17 -0.65 -2.79 0.00 0.00 177.10 175.32 1f8i h PRO 21 N 8.48 0.00 -0.93 0.43 0.11 -1.94 -1.91 132.00 136.24 1f8i h PRO 21 Ca -0.38 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.86 1f8i h PRO 21 Cb 1.17 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.20 1f8i h PRO 21 CO 0.93 0.00 0.56 -0.09 -0.21 0.00 0.00 178.00 179.19 1f8i h ARG 22 N 0.00 0.83 -0.66 1.05 9.65 -1.93 -1.00 114.38 122.31 1f8i h ARG 22 Ca 0.02 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1f8i h ARG 22 Cb 0.31 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 28.70 1f8i h ARG 22 CO -0.00 0.55 0.00 0.91 2.80 0.00 0.00 179.97 184.23 1f8i n TRP 23 N -4.71 1.62 -0.16 2.20 7.02 -0.72 -4.61 117.44 118.08 1f8i n TRP 23 Ca 0.18 -0.57 -0.03 0.00 -1.02 0.00 0.00 57.50 56.07 1f8i n TRP 23 Cb 0.38 -0.41 0.04 0.00 -2.42 0.00 0.00 31.31 28.90 1f8i n TRP 23 CO 0.00 0.00 0.00 -0.22 -2.02 0.00 0.00 177.69 175.45 1f8i h LYS 24 N 3.20 0.02 -0.32 -0.99 3.64 -1.28 -2.67 116.57 118.16 1f8i h LYS 24 Ca 0.00 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1f8i h LYS 24 Cb 1.64 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.44 1f8i h LYS 24 CO 0.38 0.01 0.01 -0.25 -2.27 0.00 0.00 179.45 177.33 1f8i n ASP 25 N -5.34 3.95 -4.68 4.20 8.00 -1.26 -4.99 116.55 116.43 1f8i n ASP 25 Ca 0.05 -3.10 -0.37 0.00 0.71 0.00 0.00 54.79 52.08 1f8i n ASP 25 Cb 0.27 -0.58 -0.08 0.00 -0.02 0.00 0.00 41.12 40.71 1f8i n ASP 25 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1f8i s VAL 26 N -2.88 5.31 -0.15 2.53 1.01 -1.01 -4.71 120.40 120.50 1f8i s VAL 26 Ca 0.44 0.38 -0.06 0.00 0.00 0.00 0.00 61.98 62.74 1f8i s VAL 26 Cb 0.36 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 1f8i s VAL 26 CO 0.09 0.33 0.08 -0.89 0.00 0.00 0.00 175.10 174.71 1f8i s THR 27 N 0.99 4.95 -0.17 3.92 2.01 -0.51 -5.02 115.64 121.81 1f8i s THR 27 Ca 0.12 0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.14 1f8i s THR 27 Cb -0.14 -3.19 0.03 0.00 0.01 0.00 0.00 72.50 69.22 1f8i s THR 27 CO 0.05 0.53 -0.10 -0.13 -0.69 0.00 0.00 174.62 174.28 1f8i s ARG 28 N -0.27 1.94 -0.01 4.92 0.52 -1.26 -4.72 118.95 120.07 1f8i s ARG 28 Ca 0.09 -0.62 0.04 0.00 -0.52 0.00 0.00 55.73 54.72 1f8i s ARG 28 Cb -0.12 -2.14 0.14 0.00 0.52 0.00 0.00 34.95 33.36 1f8i s ARG 28 CO 0.01 -0.35 1.02 0.25 0.02 0.00 0.00 175.30 176.26 1f8i n THR 29 N 4.78 0.29 -4.44 0.02 -2.24 -1.26 -4.82 114.28 106.62 1f8i n THR 29 Ca -0.15 -0.22 -0.21 0.00 -2.27 0.00 0.00 64.05 61.20 1f8i n THR 29 Cb 0.48 -0.04 -0.11 0.00 -2.10 0.00 0.00 70.33 68.57 1f8i n THR 29 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1f8i s TYR 30 N -1.69 1.94 0.41 4.78 -0.85 -1.26 -5.16 117.35 115.52 1f8i s TYR 30 Ca 0.10 -0.92 0.05 0.00 -0.52 0.00 0.00 57.07 55.79 1f8i s TYR 30 Cb 0.06 -1.24 0.00 0.00 0.38 0.00 0.00 41.96 41.16 1f8i s TYR 30 CO 0.06 0.05 0.58 -1.54 -1.52 0.00 0.00 175.55 173.18 1f8i s SER 31 N -3.47 5.77 0.27 -0.18 1.04 -1.26 -5.00 113.70 110.88 1f8i s SER 31 Ca 0.35 -0.12 -0.00 0.00 0.48 0.00 0.00 55.95 56.66 1f8i s SER 31 Cb 0.08 -1.11 0.38 0.00 0.10 0.00 0.00 66.02 65.47 1f8i s SER 31 CO 0.15 -0.67 1.77 0.00 0.98 0.00 0.00 173.24 175.46 1f8i h ALA 32 N 0.61 1.14 -0.98 5.32 0.00 -1.98 -2.12 119.26 121.25 1f8i h ALA 32 Ca -0.44 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.21 1f8i h ALA 32 Cb 1.27 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 1f8i h ALA 32 CO 0.52 0.55 0.64 0.93 0.00 0.00 0.00 179.25 181.88 1f8i h GLU 33 N 0.65 1.30 -0.62 0.00 3.07 -1.94 -2.13 114.58 114.91 1f8i h GLU 33 Ca 0.12 -0.09 0.02 0.00 -0.50 0.00 0.00 59.36 58.92 1f8i h GLU 33 Cb 0.47 -0.29 -0.04 0.00 -0.84 0.00 0.00 28.75 28.06 1f8i h GLU 33 CO 0.02 0.87 0.39 -0.44 -1.40 0.00 0.00 179.01 178.45 1f8i h ASP 34 N 1.33 0.64 0.47 1.42 3.32 -1.77 -1.21 116.42 120.62 1f8i h ASP 34 Ca 0.36 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.38 1f8i h ASP 34 Cb -0.13 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.28 1f8i h ASP 34 CO -0.07 0.45 -0.22 0.58 -1.72 0.00 0.00 179.24 178.25 1f8i h VAL 35 N 0.77 0.54 -0.75 -1.35 2.07 -1.21 -2.96 116.25 113.36 1f8i h VAL 35 Ca 0.25 -0.04 0.13 0.00 0.82 0.00 0.00 66.70 67.86 1f8i h VAL 35 Cb -0.00 0.56 -0.09 0.00 -1.52 0.00 0.00 31.29 30.24 1f8i h VAL 35 CO -0.09 0.01 0.31 0.58 0.02 0.00 0.00 177.57 178.40 1f8i h VAL 36 N -0.65 0.69 0.00 2.57 2.07 -1.21 0.04 116.25 119.76 1f8i h VAL 36 Ca -0.06 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1f8i h VAL 36 Cb 0.49 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1f8i h VAL 36 CO 0.10 0.09 0.05 0.00 0.02 0.00 0.00 177.57 177.83 1f8i h ALA 37 N 1.53 1.05 -0.02 1.67 0.00 -1.06 -1.18 119.26 121.25 1f8i h ALA 37 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1f8i h ALA 37 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1f8i h ALA 37 CO -0.38 -0.05 -0.16 1.28 0.00 0.00 0.00 179.25 179.94 1f8i n LEU 38 N -2.68 2.35 -0.41 0.00 4.77 -0.01 -4.48 117.00 116.54 1f8i n LEU 38 Ca -0.02 -0.91 0.14 0.00 -0.03 0.00 0.00 56.01 55.19 1f8i n LEU 38 Cb 0.10 0.00 0.58 0.00 -2.33 0.00 0.00 43.42 41.77 1f8i n LEU 38 CO 0.14 0.42 0.90 0.00 -1.33 0.00 0.00 177.39 177.52 1f8i n GLN 39 N 0.66 1.57 0.00 3.23 6.02 -0.44 -5.04 117.38 123.38 1f8i n GLN 39 Ca 0.10 -0.82 0.00 0.00 -0.01 0.00 0.00 57.00 56.27 1f8i n GLN 39 Cb 0.47 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.25 1f8i n GLN 39 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1f8i n GLY 40 N 1.14 1.28 0.46 1.08 0.00 -1.26 -3.56 105.19 104.33 1f8i n GLY 40 Ca 0.19 -0.60 0.06 0.00 0.00 0.00 0.00 46.02 45.67 1f8i n GLY 40 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1f8i n SER 41 N -1.82 1.95 -3.77 1.61 3.41 -1.26 -4.89 113.62 108.85 1f8i n SER 41 Ca 0.00 -1.47 -0.15 0.00 -0.26 0.00 0.00 58.87 56.99 1f8i n SER 41 Cb 0.00 0.01 -0.16 0.00 -0.26 0.00 0.00 64.21 63.80 1f8i n SER 41 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1f8i s VAL 42 N -0.97 -0.06 -0.19 -3.33 1.01 -1.23 -4.32 120.40 111.31 1f8i s VAL 42 Ca 0.13 0.21 -0.01 0.00 0.00 0.00 0.00 61.98 62.32 1f8i s VAL 42 Cb 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 36.38 36.37 1f8i s VAL 42 CO 0.15 0.09 -0.13 -0.69 0.00 0.00 0.00 175.10 174.52 1f8i s VAL 43 N 1.09 2.75 0.26 2.92 1.01 0.86 -4.97 120.40 124.34 1f8i s VAL 43 Ca -0.09 -0.72 -0.29 0.00 0.00 0.00 0.00 61.98 60.88 1f8i s VAL 43 Cb -0.13 -2.20 -0.09 0.00 0.00 0.00 0.00 36.38 33.96 1f8i s VAL 43 CO -0.03 0.49 1.13 -1.61 0.00 0.00 0.00 175.10 175.07 1f8i s GLU 44 N 1.20 4.60 -0.03 2.72 2.02 -1.26 -4.60 118.70 123.35 1f8i s GLU 44 Ca 0.02 1.84 -0.24 0.00 0.02 0.00 0.00 54.97 56.60 1f8i s GLU 44 Cb -0.14 -3.19 -0.04 0.00 0.10 0.00 0.00 34.13 30.85 1f8i s GLU 44 CO -0.05 0.14 0.75 -2.00 0.02 0.00 0.00 175.26 174.11 1f8i s GLU 45 N -1.24 4.46 -0.83 1.61 2.56 -1.26 -4.92 118.70 119.07 1f8i s GLU 45 Ca 0.46 0.99 0.01 0.00 0.00 0.00 0.00 54.97 56.43 1f8i s GLU 45 Cb -0.32 -3.42 0.22 0.00 2.00 0.00 0.00 34.13 32.60 1f8i s GLU 45 CO 0.41 0.12 0.77 0.72 -0.56 0.00 0.00 175.26 176.71 1f8i n HIS 46 N 3.52 3.78 -0.16 5.30 8.25 -1.26 -4.97 115.22 129.68 1f8i n HIS 46 Ca -0.01 -4.07 -0.10 0.00 -0.26 0.00 0.00 57.72 53.29 1f8i n HIS 46 Cb 0.51 -0.94 -0.05 0.00 1.12 0.00 0.00 29.99 30.63 1f8i n HIS 46 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1f8i h THR 47 N 3.94 0.09 -0.23 1.59 2.02 -1.94 -0.91 112.91 117.46 1f8i h THR 47 Ca 0.17 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.30 1f8i h THR 47 Cb 0.76 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1f8i h THR 47 CO 0.86 0.00 -0.09 -0.07 0.37 0.00 0.00 175.52 176.59 1f8i h LEU 48 N -0.29 0.34 -0.27 2.58 3.38 -1.93 -1.39 115.31 117.73 1f8i h LEU 48 Ca 0.15 -0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.90 1f8i h LEU 48 Cb 0.58 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1f8i h LEU 48 CO -0.62 0.47 -0.43 0.00 0.09 0.00 0.00 178.44 177.95 1f8i h ALA 49 N 1.57 0.41 0.42 1.53 0.00 -1.55 -1.46 119.26 120.19 1f8i h ALA 49 Ca 0.07 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1f8i h ALA 49 Cb 0.37 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1f8i h ALA 49 CO 0.02 0.54 -0.20 -0.09 0.00 0.00 0.00 179.25 179.52 1f8i h ARG 50 N 0.51 -0.54 -0.21 0.00 2.43 -0.96 -1.85 114.38 113.77 1f8i h ARG 50 Ca 0.02 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.24 1f8i h ARG 50 Cb 1.03 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 1f8i h ARG 50 CO 0.10 -0.24 0.09 -0.09 -1.51 0.00 0.00 179.97 178.32 1f8i h ARG 51 N -0.84 0.20 -0.48 0.20 2.43 -1.35 -0.97 114.38 113.57 1f8i h ARG 51 Ca -0.06 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1f8i h ARG 51 Cb 0.55 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.02 1f8i h ARG 51 CO 0.09 0.13 0.26 0.78 -1.51 0.00 0.00 179.97 179.73 1f8i h GLY 52 N 0.21 0.67 1.68 2.80 0.00 -1.32 0.61 103.07 107.71 1f8i h GLY 52 Ca 0.09 -0.19 -0.08 0.00 0.00 0.00 0.00 47.33 47.15 1f8i h GLY 52 CO -0.07 0.14 -0.20 0.00 0.00 0.00 0.00 176.54 176.41 1f8i h ALA 53 N 1.24 1.26 -0.16 3.60 0.00 -1.10 -0.16 119.26 123.94 1f8i h ALA 53 Ca 0.20 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 1f8i h ALA 53 Cb 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1f8i h ALA 53 CO -0.12 0.49 -0.44 0.93 0.00 0.00 0.00 179.25 180.11 1f8i h GLU 54 N 0.35 0.57 -0.60 0.00 5.08 -0.59 -1.89 114.58 117.50 1f8i h GLU 54 Ca 0.06 -0.41 -0.06 0.00 -1.00 0.00 0.00 59.36 57.95 1f8i h GLU 54 Cb 0.55 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1f8i h GLU 54 CO 0.04 1.03 0.13 0.28 -1.00 0.00 0.00 179.01 179.48 1f8i h VAL 55 N 0.22 1.25 0.03 3.13 2.07 -0.73 -1.55 116.25 120.67 1f8i h VAL 55 Ca -0.01 -0.94 -0.00 0.00 0.82 0.00 0.00 66.70 66.56 1f8i h VAL 55 Cb 1.06 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1f8i h VAL 55 CO 0.09 0.35 -0.01 0.25 0.02 0.00 0.00 177.57 178.27 1f8i h LEU 56 N 0.88 -0.03 -0.49 2.57 5.85 -1.03 0.35 115.31 123.41 1f8i h LEU 56 Ca 0.19 -0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.88 1f8i h LEU 56 Cb 0.38 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.36 1f8i h LEU 56 CO 0.01 0.07 0.14 -0.25 -0.34 0.00 0.00 178.44 178.07 1f8i h TRP 57 N -0.14 0.25 0.39 1.25 2.91 -1.22 -0.19 115.95 119.20 1f8i h TRP 57 Ca -0.00 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.02 1f8i h TRP 57 Cb 0.13 -0.04 0.00 0.00 -0.51 0.00 0.00 29.16 28.74 1f8i h TRP 57 CO -0.04 0.06 -0.19 0.93 -1.03 0.00 0.00 178.44 178.17 1f8i h GLU 58 N 0.30 -0.50 -0.86 2.65 5.08 -1.05 -2.82 114.58 117.38 1f8i h GLU 58 Ca 0.24 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.74 1f8i h GLU 58 Cb 0.28 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.58 1f8i h GLU 58 CO -0.27 -0.32 0.55 1.96 -1.00 0.00 0.00 179.01 179.94 1f8i h GLN 59 N -0.55 0.75 0.00 2.33 4.20 -0.51 0.16 115.11 121.48 1f8i h GLN 59 Ca -0.05 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 1f8i h GLN 59 Cb 0.42 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.03 1f8i h GLN 59 CO 0.09 0.49 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.66 1f8i h LEU 60 N 0.77 0.00 0.00 1.46 3.38 -0.78 -0.84 115.31 119.30 1f8i h LEU 60 Ca 0.41 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 58.04 1f8i h LEU 60 Cb 0.52 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.21 1f8i h LEU 60 CO -0.17 0.01 -2.26 1.41 0.09 0.00 0.00 178.44 177.52 1f8i n HIS 61 N -3.32 0.00 0.05 1.13 8.25 0.32 -4.63 115.22 117.02 1f8i n HIS 61 Ca -0.03 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.38 1f8i n HIS 61 Cb 0.11 -0.88 -0.10 0.00 1.12 0.00 0.00 29.99 30.24 1f8i n HIS 61 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 1f8i h ASP 62 N 0.00 0.00 -2.99 0.41 3.32 -0.77 -3.47 116.42 112.92 1f8i h ASP 62 Ca -0.50 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.03 1f8i h ASP 62 Cb 1.93 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.46 1f8i h ASP 62 CO -0.03 0.89 -0.25 -0.76 -1.72 0.00 0.00 179.24 177.36 1f8i s LEU 63 N -6.44 4.16 0.38 1.55 1.43 -0.33 -4.97 118.68 114.45 1f8i s LEU 63 Ca -0.00 0.53 0.08 0.00 -1.03 0.00 0.00 54.13 53.71 1f8i s LEU 63 Cb 0.09 -3.32 0.82 0.00 0.03 0.00 0.00 46.19 43.81 1f8i s LEU 63 CO 0.81 -0.11 1.95 -0.08 0.23 0.00 0.00 176.35 179.15 1f8i h GLU 64 N 1.87 0.65 -1.28 1.70 4.81 -1.90 -3.45 114.58 116.98 1f8i h GLU 64 Ca -0.48 -0.04 0.27 0.00 -0.13 0.00 0.00 59.36 58.98 1f8i h GLU 64 Cb 1.19 -0.15 -0.21 0.00 0.63 0.00 0.00 28.75 30.21 1f8i h GLU 64 CO 0.67 0.43 0.88 1.67 -0.73 0.00 0.00 179.01 181.93 1f8i s TRP 65 N -5.61 -0.09 -0.22 0.92 -2.14 -1.26 -4.85 118.94 105.69 1f8i s TRP 65 Ca -0.09 0.07 -0.04 0.00 2.66 0.00 0.00 56.10 58.70 1f8i s TRP 65 Cb 0.20 0.51 -0.01 0.00 -3.10 0.00 0.00 33.47 31.06 1f8i s TRP 65 CO 0.77 -0.12 -0.02 0.08 -2.66 0.00 0.00 176.95 174.99 1f8i s VAL 66 N -2.05 3.59 0.23 -0.66 1.01 0.13 -5.02 120.40 117.63 1f8i s VAL 66 Ca 0.10 -0.42 0.11 0.00 0.00 0.00 0.00 61.98 61.76 1f8i s VAL 66 Cb -0.01 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 1f8i s VAL 66 CO -0.04 0.41 -0.16 0.54 0.00 0.00 0.00 175.10 175.86 1f8i s ASN 67 N 1.39 3.84 0.23 3.32 4.22 -1.26 -0.62 114.94 126.06 1f8i s ASN 67 Ca 0.05 -0.83 -0.16 0.00 -2.14 0.00 0.00 52.86 49.77 1f8i s ASN 67 Cb -0.14 -0.46 0.01 0.00 1.28 0.00 0.00 41.25 41.94 1f8i s ASN 67 CO -0.01 0.07 0.53 0.00 -2.04 0.00 0.00 177.10 175.65 1f8i s ALA 68 N -2.09 -0.70 0.03 3.54 0.00 0.07 -4.28 121.76 118.33 1f8i s ALA 68 Ca 0.27 -0.50 0.08 0.00 0.00 0.00 0.00 51.96 51.80 1f8i s ALA 68 Cb -0.07 0.93 -0.02 0.00 0.00 0.00 0.00 23.12 23.95 1f8i s ALA 68 CO 0.14 -0.85 -0.23 -0.51 0.00 0.00 0.00 175.76 174.31 1f8i s LEU 69 N -2.94 2.13 0.24 0.00 1.43 -1.26 -1.59 118.68 116.69 1f8i s LEU 69 Ca 0.14 -0.50 -0.30 0.00 -1.03 0.00 0.00 54.13 52.44 1f8i s LEU 69 Cb -0.02 -1.11 -0.10 0.00 0.03 0.00 0.00 46.19 45.00 1f8i s LEU 69 CO 0.03 0.22 1.43 -0.83 0.23 0.00 0.00 176.35 177.43 1f8i s GLY 70 N -1.00 2.30 -0.08 -3.19 0.00 -0.60 -2.97 107.32 101.79 1f8i s GLY 70 Ca 0.09 1.30 0.04 0.00 0.00 0.00 0.00 44.72 46.14 1f8i s GLY 70 CO 0.01 2.27 -0.19 0.00 0.00 0.00 0.00 173.10 175.19 1f8i s ALA 71 N 0.08 1.77 -0.84 3.20 0.00 -0.13 -2.51 121.76 123.32 1f8i s ALA 71 Ca 0.60 -0.75 0.08 0.00 0.00 0.00 0.00 51.96 51.89 1f8i s ALA 71 Cb -0.41 -0.68 0.02 0.00 0.00 0.00 0.00 23.12 22.05 1f8i s ALA 71 CO 0.42 0.24 0.63 1.47 0.00 0.00 0.00 175.76 178.51 1f8i n LEU 72 N 3.54 1.29 -4.13 0.00 -0.00 -1.26 -4.44 117.00 111.99 1f8i n LEU 72 Ca -0.20 -0.84 -0.09 0.00 -0.00 0.00 0.00 56.01 54.88 1f8i n LEU 72 Cb 0.52 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.84 1f8i n LEU 72 CO 0.27 0.26 -0.36 0.42 -0.00 0.00 0.00 177.39 177.98 1f8i s THR 73 N -1.02 0.37 0.10 1.47 -4.23 -1.26 -4.88 115.64 106.19 1f8i s THR 73 Ca 0.08 -1.87 -0.22 0.00 -1.18 0.00 0.00 61.69 58.50 1f8i s THR 73 Cb 0.07 -1.67 -0.11 0.00 1.34 0.00 0.00 72.50 72.13 1f8i s THR 73 CO 0.17 -0.87 1.74 1.23 -0.54 0.00 0.00 174.62 176.36 1f8i h GLY 74 N 3.03 0.10 1.15 3.99 0.00 -1.93 -2.67 103.07 106.74 1f8i h GLY 74 Ca -0.35 -0.02 0.08 0.00 0.00 0.00 0.00 47.33 47.04 1f8i h GLY 74 CO 0.65 0.01 0.39 3.43 0.00 0.00 0.00 176.54 181.02 1f8i h ASN 75 N 0.07 0.43 -0.29 0.19 2.35 -1.95 -1.86 115.58 114.53 1f8i h ASN 75 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1f8i h ASN 75 Cb 0.02 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 1f8i h ASN 75 CO -0.04 0.27 0.19 0.24 -1.65 0.00 0.00 177.43 176.44 1f8i h MET 76 N 0.49 0.37 -0.67 0.81 2.86 -1.90 -1.11 114.93 115.78 1f8i h MET 76 Ca 0.26 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.84 1f8i h MET 76 Cb 0.39 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 1f8i h MET 76 CO -0.07 0.25 0.28 0.00 1.06 0.00 0.00 176.91 178.42 1f8i h ALA 77 N 1.11 1.23 -0.51 6.32 0.00 -1.26 -1.58 119.26 124.57 1f8i h ALA 77 Ca 0.11 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1f8i h ALA 77 Cb -0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1f8i h ALA 77 CO -0.03 0.57 0.22 0.28 0.00 0.00 0.00 179.25 180.29 1f8i h VAL 78 N 0.97 1.21 -0.40 0.00 2.07 -0.86 -1.59 116.25 117.65 1f8i h VAL 78 Ca 0.23 -0.62 -0.08 0.00 0.82 0.00 0.00 66.70 67.05 1f8i h VAL 78 Cb 0.17 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1f8i h VAL 78 CO -0.02 0.24 -0.08 1.56 0.02 0.00 0.00 177.57 179.28 1f8i h GLN 79 N 0.68 0.68 -0.31 1.57 1.08 -0.91 0.53 115.11 118.43 1f8i h GLN 79 Ca 0.17 -0.20 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 1f8i h GLN 79 Cb 0.16 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 1f8i h GLN 79 CO -0.02 0.75 0.15 1.96 -0.95 0.00 0.00 178.83 180.72 1f8i h GLN 80 N 0.63 0.44 -0.36 1.46 4.20 -0.88 -0.66 115.11 119.93 1f8i h GLN 80 Ca 0.11 -0.06 -0.17 0.00 0.06 0.00 0.00 58.65 58.59 1f8i h GLN 80 Cb 0.51 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 1f8i h GLN 80 CO 0.03 0.41 -0.44 0.28 -0.67 0.00 0.00 178.83 178.44 1f8i h VAL 81 N 0.36 1.27 0.00 -0.54 2.07 -1.07 -1.51 116.25 116.83 1f8i h VAL 81 Ca 0.10 -1.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.01 1f8i h VAL 81 Cb 0.12 1.45 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1f8i h VAL 81 CO -0.01 0.54 -0.04 -0.09 0.02 0.00 0.00 177.57 177.99 1f8i h ARG 82 N 0.74 0.00 -0.00 1.57 9.65 -0.73 0.30 114.38 125.91 1f8i h ARG 82 Ca 0.05 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 1f8i h ARG 82 Cb 1.04 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.62 1f8i h ARG 82 CO 0.10 0.04 -0.06 0.00 2.80 0.00 0.00 179.97 182.85 1f8i n ALA 83 N -2.53 2.69 0.00 2.80 0.00 -0.27 -4.92 120.51 118.28 1f8i n ALA 83 Ca -0.03 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1f8i n ALA 83 Cb 0.12 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.19 1f8i n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f8i n GLY 84 N 1.20 0.61 3.77 0.00 0.00 0.10 -5.08 105.19 105.79 1f8i n GLY 84 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1f8i n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1f8i s LEU 85 N 0.00 3.81 -0.04 0.99 1.43 -0.59 -4.96 118.68 119.32 1f8i s LEU 85 Ca 0.00 2.19 0.11 0.00 -1.03 0.00 0.00 54.13 55.39 1f8i s LEU 85 Cb 0.00 -4.51 0.30 0.00 0.03 0.00 0.00 46.19 42.01 1f8i s LEU 85 CO 0.00 -1.14 1.25 0.29 0.23 0.00 0.00 176.35 176.98 1f8i n LYS 86 N -1.12 2.85 -3.64 1.70 5.02 -1.26 -4.41 118.16 117.30 1f8i n LYS 86 Ca 0.11 -2.14 -0.12 0.00 -2.02 0.00 0.00 58.31 54.14 1f8i n LYS 86 Cb 0.50 -1.35 -0.05 0.00 -0.02 0.00 0.00 35.03 34.12 1f8i n LYS 86 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1f8i s ALA 87 N -1.40 -1.02 -0.07 7.82 0.00 -1.26 -4.00 121.76 121.82 1f8i s ALA 87 Ca 0.24 0.21 0.03 0.00 0.00 0.00 0.00 51.96 52.44 1f8i s ALA 87 Cb 0.15 0.49 0.00 0.00 0.00 0.00 0.00 23.12 23.77 1f8i s ALA 87 CO 0.12 -0.54 -0.18 0.42 0.00 0.00 0.00 175.76 175.58 1f8i s ILE 88 N -3.01 1.53 -0.21 0.00 1.01 0.17 -4.57 121.20 116.14 1f8i s ILE 88 Ca -0.02 -0.73 -0.08 0.00 0.00 0.00 0.00 60.65 59.82 1f8i s ILE 88 Cb 0.00 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 1f8i s ILE 88 CO -0.06 0.44 0.10 -0.47 0.00 0.00 0.00 174.94 174.95 1f8i s TYR 89 N 0.41 3.27 -0.48 3.97 5.04 -1.16 -0.64 117.35 127.76 1f8i s TYR 89 Ca -0.14 0.09 -0.09 0.00 -2.44 0.00 0.00 57.07 54.50 1f8i s TYR 89 Cb -0.16 -2.15 0.12 0.00 0.35 0.00 0.00 41.96 40.12 1f8i s TYR 89 CO 0.05 0.10 0.35 -1.17 -1.34 0.00 0.00 175.55 173.54 1f8i s LEU 90 N 0.67 5.69 0.20 6.97 2.96 0.53 -0.96 118.68 134.74 1f8i s LEU 90 Ca 0.05 -1.97 -0.30 0.00 -0.22 0.00 0.00 54.13 51.69 1f8i s LEU 90 Cb -0.13 -2.00 -0.08 0.00 0.50 0.00 0.00 46.19 44.48 1f8i s LEU 90 CO 0.01 -0.67 1.14 -0.55 -1.32 0.00 0.00 176.35 174.96 1f8i s SER 91 N 2.56 7.18 0.09 3.68 0.15 -1.26 -2.11 113.70 123.99 1f8i s SER 91 Ca 0.06 2.19 -0.05 0.00 0.70 0.00 0.00 55.95 58.85 1f8i s SER 91 Cb -0.26 -2.61 -0.23 0.00 -1.71 0.00 0.00 66.02 61.22 1f8i s SER 91 CO -0.01 -0.27 1.18 1.23 1.20 0.00 0.00 173.24 176.57 1f8i h GLY 92 N 4.90 0.38 0.64 9.45 0.00 -1.94 -2.93 103.07 113.58 1f8i h GLY 92 Ca -0.45 -0.86 0.04 0.00 0.00 0.00 0.00 47.33 46.07 1f8i h GLY 92 CO 0.72 0.75 0.08 -0.25 0.00 0.00 0.00 176.54 177.84 1f8i h TRP 93 N 0.13 0.13 -0.36 5.60 7.01 -1.95 -0.24 115.95 126.28 1f8i h TRP 93 Ca -0.13 0.02 -0.08 0.00 2.11 0.00 0.00 58.89 60.82 1f8i h TRP 93 Cb 1.86 -0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 28.89 1f8i h TRP 93 CO 0.07 0.04 -0.10 1.96 -2.79 0.00 0.00 178.44 177.62 1f8i h GLN 94 N 0.20 0.61 -0.50 2.65 4.20 -1.89 -1.47 115.11 118.91 1f8i h GLN 94 Ca 0.15 -0.18 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 1f8i h GLN 94 Cb 0.16 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 1f8i h GLN 94 CO -0.19 0.70 0.04 0.28 -0.67 0.00 0.00 178.83 178.99 1f8i h VAL 95 N 0.56 1.26 -0.48 -0.54 2.07 -1.21 0.36 116.25 118.27 1f8i h VAL 95 Ca 0.10 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 1f8i h VAL 95 Cb 0.51 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1f8i h VAL 95 CO 0.03 0.36 0.25 0.00 0.02 0.00 0.00 177.57 178.23 1f8i h ALA 96 N 0.95 0.61 0.00 1.67 0.00 -0.74 -1.04 119.26 120.71 1f8i h ALA 96 Ca 0.15 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1f8i h ALA 96 Cb 0.46 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1f8i h ALA 96 CO 0.02 0.14 -0.56 0.78 0.00 0.00 0.00 179.25 179.64 1f8i h GLY 97 N 0.63 0.00 -0.22 0.00 0.00 -1.08 0.23 103.07 102.63 1f8i h GLY 97 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1f8i h GLY 97 CO -0.03 0.00 -0.03 1.34 0.00 0.00 0.00 176.54 177.83 1f8i n ASP 98 N -3.29 0.00 -2.70 0.19 2.03 0.10 -4.48 116.55 108.40 1f8i n ASP 98 Ca 0.01 -1.06 -0.05 0.00 0.52 0.00 0.00 54.79 54.21 1f8i n ASP 98 Cb 0.73 -0.01 0.11 0.00 -0.72 0.00 0.00 41.12 41.22 1f8i n ASP 98 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1f8i n ALA 99 N 0.00 2.09 -2.49 -1.67 0.00 -0.47 -4.98 120.51 112.99 1f8i n ALA 99 Ca 0.00 -1.57 -0.26 0.00 0.00 0.00 0.00 53.44 51.60 1f8i n ALA 99 Cb 0.51 -0.93 -0.11 0.00 0.00 0.00 0.00 19.45 18.92 1f8i n ALA 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1f8i s ASN 100 N -1.64 3.77 0.00 0.00 4.22 -0.75 -4.77 114.94 115.78 1f8i s ASN 100 Ca 0.20 -0.77 0.00 0.00 -2.14 0.00 0.00 52.86 50.14 1f8i s ASN 100 Cb 0.42 -0.44 0.00 0.00 1.28 0.00 0.00 41.25 42.51 1f8i s ASN 100 CO -0.08 0.10 0.71 0.18 -2.04 0.00 0.00 177.10 175.97 1f8i n LEU 101 N 0.08 0.00 0.10 3.54 4.77 -1.26 -1.70 117.00 122.52 1f8i n LEU 101 Ca -0.11 0.21 0.12 0.00 -0.03 0.00 0.00 56.01 56.19 1f8i n LEU 101 Cb 0.56 -0.21 0.06 0.00 -2.33 0.00 0.00 43.42 41.50 1f8i n LEU 101 CO 0.32 -0.21 0.15 0.77 -1.33 0.00 0.00 177.39 177.10 1f8i h SER 102 N 0.00 0.00 0.00 -1.43 4.64 -1.95 -3.48 113.55 111.33 1f8i h SER 102 Ca 0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1f8i h SER 102 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1f8i h SER 102 CO 0.00 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 1f8i n GLY 103 N 1.22 1.57 3.95 -0.77 0.00 -0.69 -5.03 105.19 105.45 1f8i n GLY 103 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 1f8i n GLY 103 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1f8i s HIS 104 N -3.15 3.47 -0.24 1.61 3.76 -1.26 -5.03 115.29 114.46 1f8i s HIS 104 Ca 0.00 0.15 -0.19 0.00 -0.15 0.00 0.00 55.06 54.87 1f8i s HIS 104 Cb 0.00 -1.70 -0.03 0.00 1.11 0.00 0.00 32.58 31.96 1f8i s HIS 104 CO 0.00 0.40 0.56 0.99 -0.85 0.00 0.00 174.74 175.85 1f8i s THR 105 N -1.94 5.05 0.12 1.30 2.01 -1.26 -4.74 115.64 116.17 1f8i s THR 105 Ca 0.36 1.01 0.06 0.00 0.31 0.00 0.00 61.69 63.43 1f8i s THR 105 Cb -0.10 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 1f8i s THR 105 CO 0.30 0.10 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.86 1f8i s TYR 106 N 2.14 1.46 0.83 4.92 2.02 0.81 -4.96 117.35 124.57 1f8i s TYR 106 Ca 0.24 -0.52 -0.12 0.00 -0.37 0.00 0.00 57.07 56.31 1f8i s TYR 106 Cb -0.16 -0.77 0.09 0.00 -0.40 0.00 0.00 41.96 40.72 1f8i s TYR 106 CO 0.09 0.16 1.14 -1.25 -1.57 0.00 0.00 175.55 174.12 1f8i s PRO 107 N -2.46 1.81 -1.24 -1.71 0.04 -1.26 -2.99 135.00 127.19 1f8i s PRO 107 Ca 0.08 0.28 -0.19 0.00 0.04 0.00 0.00 61.00 61.21 1f8i s PRO 107 Cb -0.06 -1.92 -0.00 0.00 0.04 0.00 0.00 34.50 32.56 1f8i s PRO 107 CO 0.03 -1.74 1.90 -3.47 0.04 0.00 0.00 177.00 173.77 1f8i n ASP 108 N -3.45 3.99 -2.52 6.66 2.03 -1.26 -4.61 116.55 117.39 1f8i n ASP 108 Ca 0.07 -2.82 -0.00 0.00 0.52 0.00 0.00 54.79 52.56 1f8i n ASP 108 Cb 0.59 -1.66 0.04 0.00 -0.72 0.00 0.00 41.12 39.38 1f8i n ASP 108 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1f8i n GLN 109 N 7.79 1.45 -3.96 -0.67 6.02 -1.26 -1.63 117.38 125.12 1f8i n GLN 109 Ca 0.49 -3.23 -0.29 0.00 -0.01 0.00 0.00 57.00 53.95 1f8i n GLN 109 Cb 0.44 -1.31 0.01 0.00 1.02 0.00 0.00 30.24 30.40 1f8i n GLN 109 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1f8i n SER 110 N -0.39 -3.09 0.00 1.08 7.64 -1.26 -4.55 113.62 113.06 1f8i n SER 110 Ca 0.08 -0.88 -0.04 0.00 1.01 0.00 0.00 58.87 59.04 1f8i n SER 110 Cb 0.88 -3.50 -0.11 0.00 -1.01 0.00 0.00 64.21 60.46 1f8i n SER 110 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1f8i n LEU 111 N -4.50 0.84 -4.85 -3.43 4.77 -1.26 -4.97 117.00 103.60 1f8i n LEU 111 Ca -0.07 0.38 -0.30 0.00 -0.03 0.00 0.00 56.01 55.99 1f8i n LEU 111 Cb 0.57 0.13 0.05 0.00 -2.33 0.00 0.00 43.42 41.84 1f8i n LEU 111 CO 0.77 0.27 0.73 -0.72 -1.33 0.00 0.00 177.39 177.11 1f8i s TYR 112 N -2.75 3.23 0.22 -1.77 -0.85 -1.26 -4.99 117.35 109.17 1f8i s TYR 112 Ca -0.04 1.20 -0.32 0.00 -0.52 0.00 0.00 57.07 57.39 1f8i s TYR 112 Cb 0.08 -2.96 -0.13 0.00 0.38 0.00 0.00 41.96 39.33 1f8i s TYR 112 CO 0.82 -1.22 1.64 -2.30 -1.52 0.00 0.00 175.55 172.97 1f8i n PRO 113 N -3.08 2.56 0.32 -3.49 -0.02 -1.26 -4.87 135.00 125.16 1f8i n PRO 113 Ca 0.07 0.92 0.12 0.00 -2.02 0.00 0.00 63.50 62.59 1f8i n PRO 113 Cb 0.55 -2.72 0.65 0.00 -0.02 0.00 0.00 33.50 31.97 1f8i n PRO 113 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1f8i h ALA 114 N 5.99 1.42 -0.58 3.55 0.00 -1.97 -0.75 119.26 126.93 1f8i h ALA 114 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1f8i h ALA 114 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1f8i h ALA 114 CO 0.89 -0.42 0.00 0.27 0.00 0.00 0.00 179.25 179.99 1f8i n ASN 115 N -2.75 3.25 0.17 0.00 6.94 -1.26 -4.53 115.26 117.09 1f8i n ASN 115 Ca -0.02 -1.99 -0.14 0.00 -0.02 0.00 0.00 54.58 52.41 1f8i n ASN 115 Cb 0.47 -0.39 -0.08 0.00 -2.36 0.00 0.00 39.78 37.42 1f8i n ASN 115 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1f8i h SER 116 N 3.62 -0.34 -0.36 0.53 0.02 -1.50 -2.65 113.55 112.87 1f8i h SER 116 Ca 0.00 -0.07 0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1f8i h SER 116 Cb 0.82 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.43 1f8i h SER 116 CO 0.00 -0.14 0.23 0.58 -1.14 0.00 0.00 176.83 176.36 1f8i h VAL 117 N -0.54 1.08 -0.76 2.27 2.07 -1.82 -2.20 116.25 116.35 1f8i h VAL 117 Ca -0.04 -0.16 0.16 0.00 0.82 0.00 0.00 66.70 67.48 1f8i h VAL 117 Cb 0.40 0.56 -0.11 0.00 -1.52 0.00 0.00 31.29 30.62 1f8i h VAL 117 CO 0.07 0.09 0.22 -0.65 0.02 0.00 0.00 177.57 177.31 1f8i h PRO 118 N 0.48 0.30 -0.86 1.57 0.11 -1.82 0.77 132.00 132.53 1f8i h PRO 118 Ca 0.14 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.21 1f8i h PRO 118 Cb -0.04 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 30.96 1f8i h PRO 118 CO -0.04 0.20 0.45 1.96 -0.21 0.00 0.00 178.00 180.36 1f8i h GLN 119 N 0.30 1.22 -0.06 1.05 1.08 -1.06 -1.07 115.11 116.58 1f8i h GLN 119 Ca 0.43 -0.16 -0.10 0.00 -1.45 0.00 0.00 58.65 57.37 1f8i h GLN 119 Cb 0.74 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.92 1f8i h GLN 119 CO -0.50 0.91 -0.45 0.28 -0.95 0.00 0.00 178.83 178.12 1f8i h VAL 120 N 1.21 1.33 -0.28 -0.54 2.07 -0.49 0.11 116.25 119.66 1f8i h VAL 120 Ca 0.30 -1.58 -0.04 0.00 0.82 0.00 0.00 66.70 66.21 1f8i h VAL 120 Cb 0.06 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1f8i h VAL 120 CO -0.04 0.46 0.04 0.58 0.02 0.00 0.00 177.57 178.62 1f8i h VAL 121 N 0.11 1.24 -0.73 2.57 2.07 -0.28 0.12 116.25 121.35 1f8i h VAL 121 Ca 0.01 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 1f8i h VAL 121 Cb 0.83 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 1f8i h VAL 121 CO 0.06 0.27 0.43 -0.09 0.02 0.00 0.00 177.57 178.26 1f8i h ARG 122 N 0.28 0.99 -0.38 1.57 9.65 -0.90 -1.45 114.38 124.15 1f8i h ARG 122 Ca 0.08 -0.10 -0.01 0.00 -1.10 0.00 0.00 59.98 58.86 1f8i h ARG 122 Cb 0.36 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 28.71 1f8i h ARG 122 CO 0.01 0.72 0.21 -0.09 2.80 0.00 0.00 179.97 183.61 1f8i h ARG 123 N 0.99 0.54 -0.59 0.20 9.65 -0.41 -1.23 114.38 123.53 1f8i h ARG 123 Ca 0.26 -0.06 -0.03 0.00 -1.10 0.00 0.00 59.98 59.04 1f8i h ARG 123 Cb -0.01 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.44 1f8i h ARG 123 CO -0.05 0.44 0.24 0.82 2.80 0.00 0.00 179.97 184.22 1f8i h ILE 124 N 0.49 1.23 -0.70 1.20 2.04 -0.50 -1.44 117.51 119.83 1f8i h ILE 124 Ca 0.13 -0.70 -0.04 0.00 1.00 0.00 0.00 64.86 65.26 1f8i h ILE 124 Cb 0.06 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 1f8i h ILE 124 CO -0.02 0.27 0.29 0.78 0.00 0.00 0.00 178.15 179.47 1f8i h ASN 125 N 0.81 0.94 -0.50 1.72 2.35 -1.04 -0.65 115.58 119.21 1f8i h ASN 125 Ca 0.20 -0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 55.78 1f8i h ASN 125 Cb 0.20 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 1f8i h ASN 125 CO -0.02 0.84 0.18 0.78 -1.65 0.00 0.00 177.43 177.56 1f8i h ASN 126 N 1.01 0.70 -0.52 5.81 2.35 -0.77 0.88 115.58 125.05 1f8i h ASN 126 Ca 0.24 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 1f8i h ASN 126 Cb 0.18 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 1f8i h ASN 126 CO -0.02 0.70 0.25 0.00 -1.65 0.00 0.00 177.43 176.71 1f8i h ALA 127 N 1.03 0.67 -0.10 -0.83 0.00 -0.92 -0.29 119.26 118.82 1f8i h ALA 127 Ca 0.16 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1f8i h ALA 127 Cb 0.23 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1f8i h ALA 127 CO -0.01 0.22 -0.36 -0.07 0.00 0.00 0.00 179.25 179.03 1f8i h LEU 128 N 0.69 0.21 -0.61 0.00 3.38 -0.90 -1.90 115.31 116.18 1f8i h LEU 128 Ca 0.18 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.94 1f8i h LEU 128 Cb 0.11 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1f8i h LEU 128 CO -0.02 0.57 -0.34 1.56 0.09 0.00 0.00 178.44 180.29 1f8i h GLN 129 N 0.18 0.73 -0.37 1.13 4.20 -0.26 -0.80 115.11 119.93 1f8i h GLN 129 Ca 0.02 -0.35 -0.13 0.00 0.06 0.00 0.00 58.65 58.25 1f8i h GLN 129 Cb 0.73 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 1f8i h GLN 129 CO 0.06 0.96 -0.30 -0.09 -0.67 0.00 0.00 178.83 178.78 1f8i h ARG 130 N 0.61 0.79 -0.60 1.46 9.65 -0.72 -0.48 114.38 125.09 1f8i h ARG 130 Ca 0.06 -0.36 -0.04 0.00 -1.10 0.00 0.00 59.98 58.54 1f8i h ARG 130 Cb 0.87 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 29.41 1f8i h ARG 130 CO 0.08 0.99 0.21 0.00 2.80 0.00 0.00 179.97 184.05 1f8i h ALA 131 N 0.98 0.79 -0.18 2.80 0.00 -1.17 -0.35 119.26 122.13 1f8i h ALA 131 Ca 0.08 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1f8i h ALA 131 Cb 0.84 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1f8i h ALA 131 CO 0.07 0.43 0.08 0.22 0.00 0.00 0.00 179.25 180.06 1f8i h ASP 132 N 0.85 0.11 -0.26 0.00 3.58 -0.84 0.03 116.42 119.89 1f8i h ASP 132 Ca 0.20 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.66 1f8i h ASP 132 Cb 0.25 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 1f8i h ASP 132 CO -0.01 0.09 0.17 1.56 -2.88 0.00 0.00 179.24 178.17 1f8i h GLN 133 N 0.18 0.33 -0.60 0.28 4.20 -0.82 -1.92 115.11 116.75 1f8i h GLN 133 Ca 0.08 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.72 1f8i h GLN 133 Cb 0.03 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 1f8i h GLN 133 CO -0.06 0.22 0.18 0.82 -0.67 0.00 0.00 178.83 179.32 1f8i h ILE 134 N 0.34 1.23 -0.47 2.54 2.04 -0.85 -2.48 117.51 119.87 1f8i h ILE 134 Ca 0.10 -0.79 -0.08 0.00 1.00 0.00 0.00 64.86 65.08 1f8i h ILE 134 Cb -0.03 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 1f8i h ILE 134 CO -0.03 0.30 -0.05 0.00 0.00 0.00 0.00 178.15 178.38 1f8i h ALA 135 N 1.32 1.03 -0.07 1.87 0.00 -0.67 -1.78 119.26 120.97 1f8i h ALA 135 Ca 0.20 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1f8i h ALA 135 Cb 0.26 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1f8i h ALA 135 CO -0.01 0.59 0.04 -0.22 0.00 0.00 0.00 179.25 179.65 1f8i h LYS 136 N 0.74 0.11 0.00 0.00 3.64 -0.92 0.11 116.57 120.25 1f8i h LYS 136 Ca 0.14 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1f8i h LYS 136 Cb 0.52 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1f8i h LYS 136 CO 0.03 0.19 0.00 -0.84 -2.27 0.00 0.00 179.45 176.56 1f8i h ILE 137 N -0.00 0.00 -0.02 2.00 3.07 -1.38 -2.63 117.51 118.54 1f8i h ILE 137 Ca 0.03 -0.48 0.00 0.00 1.55 0.00 0.00 64.86 65.96 1f8i h ILE 137 Cb 0.12 1.38 0.00 0.00 -0.27 0.00 0.00 36.82 38.05 1f8i h ILE 137 CO -0.00 0.00 -0.19 -0.62 -1.05 0.00 0.00 178.15 176.29 1f8i n GLU 138 N -2.61 1.54 -2.01 0.16 1.02 -0.68 -4.93 120.64 113.13 1f8i n GLU 138 Ca 0.03 -1.14 -0.17 0.00 -0.02 0.00 0.00 57.16 55.86 1f8i n GLU 138 Cb 0.34 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.25 1f8i n GLU 138 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1f8i n GLY 139 N 1.33 0.44 3.55 0.62 0.00 -0.44 -4.94 105.19 105.75 1f8i n GLY 139 Ca 0.13 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 1f8i n GLY 139 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1f8i s ASP 140 N -2.45 6.44 -0.12 1.61 2.15 -0.10 -4.89 116.67 119.31 1f8i s ASP 140 Ca 0.00 -0.04 0.17 0.00 0.43 0.00 0.00 52.55 53.11 1f8i s ASP 140 Cb 0.00 -2.41 0.67 0.00 -0.30 0.00 0.00 42.92 40.88 1f8i s ASP 140 CO 0.00 -0.96 1.58 0.35 -0.17 0.00 0.00 175.17 175.97 1f8i n THR 141 N 6.23 1.87 -0.29 1.71 -2.24 -1.26 -4.58 114.28 115.72 1f8i n THR 141 Ca 0.03 -1.28 0.10 0.00 -2.27 0.00 0.00 64.05 60.64 1f8i n THR 141 Cb 0.48 0.09 0.26 0.00 -2.10 0.00 0.00 70.33 69.07 1f8i n THR 141 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1f8i h SER 142 N 3.62 0.36 -3.37 3.42 0.87 -1.97 -3.39 113.55 113.09 1f8i h SER 142 Ca 0.00 0.13 -0.64 0.00 -1.23 0.00 0.00 61.79 60.05 1f8i h SER 142 Cb 1.42 0.10 -0.23 0.00 -0.44 0.00 0.00 62.40 63.24 1f8i h SER 142 CO 0.23 0.07 -0.68 -0.69 -0.53 0.00 0.00 176.83 175.23 1f8i s VAL 143 N -5.94 3.76 0.11 2.23 1.01 -1.26 -5.01 120.40 115.30 1f8i s VAL 143 Ca -0.12 -0.39 -0.12 0.00 0.00 0.00 0.00 61.98 61.35 1f8i s VAL 143 Cb 0.23 -2.67 -0.13 0.00 0.00 0.00 0.00 36.38 33.82 1f8i s VAL 143 CO 0.78 0.46 1.35 1.05 0.00 0.00 0.00 175.10 178.74 1f8i h GLU 144 N 7.21 0.83 -2.77 2.72 9.09 -1.97 -3.42 114.58 126.28 1f8i h GLU 144 Ca -0.34 -0.60 -0.53 0.00 0.05 0.00 0.00 59.36 57.94 1f8i h GLU 144 Cb 1.18 0.10 -0.40 0.00 -1.65 0.00 0.00 28.75 27.99 1f8i h GLU 144 CO 0.61 1.22 -0.78 1.21 0.05 0.00 0.00 179.01 181.32 1f8i s ASN 145 N -7.01 3.47 0.34 3.06 3.04 -1.26 -4.99 114.94 111.59 1f8i s ASN 145 Ca -0.11 -1.36 0.11 0.00 0.04 0.00 0.00 52.86 51.55 1f8i s ASN 145 Cb 0.09 -0.35 0.60 0.00 -1.54 0.00 0.00 41.25 40.06 1f8i s ASN 145 CO 0.90 -0.43 1.76 -0.50 -3.04 0.00 0.00 177.10 175.79 1f8i h TRP 146 N 8.29 0.03 -0.69 0.43 4.06 -1.91 -3.32 115.95 122.84 1f8i h TRP 146 Ca -0.18 -0.01 -0.73 0.00 2.06 0.00 0.00 58.89 60.04 1f8i h TRP 146 Cb 1.01 -0.01 -0.09 0.00 -1.00 0.00 0.00 29.16 29.07 1f8i h TRP 146 CO 0.30 0.46 2.67 1.28 -3.56 0.00 0.00 178.44 179.60 1f8i n LEU 147 N -4.02 7.07 -4.77 -4.49 4.77 -1.26 -4.86 117.00 109.45 1f8i n LEU 147 Ca -0.02 -4.44 -0.37 0.00 -0.03 0.00 0.00 56.01 51.14 1f8i n LEU 147 Cb 0.47 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.01 1f8i n LEU 147 CO 0.40 1.40 0.87 0.00 -1.33 0.00 0.00 177.39 178.73 1f8i s ALA 148 N 1.51 2.96 0.44 -1.18 0.00 -1.25 -4.87 121.76 119.36 1f8i s ALA 148 Ca 0.47 1.03 -0.25 0.00 0.00 0.00 0.00 51.96 53.21 1f8i s ALA 148 Cb 0.13 -3.43 -0.08 0.00 0.00 0.00 0.00 23.12 19.74 1f8i s ALA 148 CO -0.05 -0.81 1.30 -1.25 0.00 0.00 0.00 175.76 174.95 1f8i s PRO 149 N -2.71 3.80 -0.19 0.00 0.04 -1.26 -4.72 135.00 129.97 1f8i s PRO 149 Ca 0.65 2.13 -0.04 0.00 0.04 0.00 0.00 61.00 63.77 1f8i s PRO 149 Cb -0.31 -2.63 -0.02 0.00 0.04 0.00 0.00 34.50 31.57 1f8i s PRO 149 CO 0.38 -0.62 -0.02 0.42 0.04 0.00 0.00 177.00 177.20 1f8i s ILE 150 N -1.31 3.81 -0.31 0.56 1.01 -1.26 -0.65 121.20 123.06 1f8i s ILE 150 Ca 0.60 -0.37 -0.09 0.00 0.00 0.00 0.00 60.65 60.80 1f8i s ILE 150 Cb -0.37 -2.71 0.00 0.00 0.01 0.00 0.00 42.46 39.39 1f8i s ILE 150 CO 0.47 0.45 0.13 -0.69 0.00 0.00 0.00 174.94 175.29 1f8i s VAL 151 N 0.90 4.34 0.10 2.92 1.01 0.19 -1.05 120.40 128.81 1f8i s VAL 151 Ca 0.00 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.48 1f8i s VAL 151 Cb -0.14 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1f8i s VAL 151 CO 0.02 0.06 -0.02 0.00 0.00 0.00 0.00 175.10 175.15 1f8i s ALA 152 N 1.56 3.21 -0.26 5.51 0.00 0.26 -0.35 121.76 131.70 1f8i s ALA 152 Ca 0.04 -1.16 -0.29 0.00 0.00 0.00 0.00 51.96 50.55 1f8i s ALA 152 Cb -0.17 -1.12 0.01 0.00 0.00 0.00 0.00 23.12 21.84 1f8i s ALA 152 CO 0.05 0.68 1.13 0.34 0.00 0.00 0.00 175.76 177.95 1f8i s ASP 153 N -2.32 6.95 0.00 0.00 -1.08 -0.90 -1.94 116.67 117.39 1f8i s ASP 153 Ca 0.25 1.28 0.23 0.00 -0.52 0.00 0.00 52.55 53.79 1f8i s ASP 153 Cb -0.11 -2.54 0.16 0.00 -1.46 0.00 0.00 42.92 38.97 1f8i s ASP 153 CO 0.17 -0.82 1.22 0.61 0.52 0.00 0.00 175.17 176.87 1f8i n GLY 154 N 3.71 0.83 7.00 2.66 0.00 -0.19 -4.82 105.19 114.39 1f8i n GLY 154 Ca 0.13 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1f8i n GLY 154 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1f8i n GLU 155 N 1.18 0.00 -0.68 1.61 1.02 -1.22 -1.71 120.64 120.83 1f8i n GLU 155 Ca 0.13 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.32 1f8i n GLU 155 Cb 0.57 0.00 0.31 0.00 -0.02 0.00 0.00 31.44 32.29 1f8i n GLU 155 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1f8i n ALA 156 N 9.83 3.56 -0.20 0.62 0.00 -1.26 -1.14 120.51 131.92 1f8i n ALA 156 Ca 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 53.44 51.17 1f8i n ALA 156 Cb 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1f8i n ALA 156 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f8i n GLY 157 N -0.18 2.40 3.63 0.00 0.00 -0.70 -4.17 105.19 106.18 1f8i n GLY 157 Ca 0.27 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.04 1f8i n GLY 157 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1f8i n PHE 158 N -2.00 -2.73 0.00 1.61 3.72 -1.26 -3.24 117.46 113.55 1f8i n PHE 158 Ca 0.00 0.97 0.00 0.00 -0.05 0.00 0.00 57.45 58.37 1f8i n PHE 158 Cb 0.00 -4.80 0.00 0.00 -0.94 0.00 0.00 39.48 33.74 1f8i n PHE 158 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1f8i n GLY 159 N -1.93 0.46 0.00 1.37 0.00 -1.26 -4.87 105.19 98.96 1f8i n GLY 159 Ca 0.01 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1f8i n GLY 159 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f8i n GLY 160 N 0.00 0.39 0.26 -0.02 0.00 -1.26 -4.81 105.19 99.74 1f8i n GLY 160 Ca 0.00 -1.83 0.09 0.00 0.00 0.00 0.00 46.02 44.27 1f8i n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f8i h ALA 161 N -1.34 1.78 -0.06 4.61 0.00 -1.95 -1.47 119.26 120.83 1f8i h ALA 161 Ca 0.00 -0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.64 1f8i h ALA 161 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1f8i h ALA 161 CO 0.00 0.08 -0.85 -0.07 0.00 0.00 0.00 179.25 178.41 1f8i h LEU 162 N 0.00 0.67 -0.48 0.00 3.38 -1.96 -0.46 115.31 116.46 1f8i h LEU 162 Ca -0.00 -0.48 -0.10 0.00 0.09 0.00 0.00 57.88 57.38 1f8i h LEU 162 Cb 0.12 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1f8i h LEU 162 CO 0.01 1.26 -0.10 0.78 0.09 0.00 0.00 178.44 180.48 1f8i h ASN 163 N 0.35 0.93 -0.47 -0.43 2.35 -1.69 -0.86 115.58 115.75 1f8i h ASN 163 Ca -0.06 -0.35 0.01 0.00 -0.55 0.00 0.00 56.30 55.34 1f8i h ASN 163 Cb 1.47 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 39.56 1f8i h ASN 163 CO 0.16 1.07 0.29 0.58 -1.65 0.00 0.00 177.43 177.88 1f8i h VAL 164 N 0.77 1.08 -0.24 2.81 2.07 -1.22 -1.02 116.25 120.50 1f8i h VAL 164 Ca 0.12 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1f8i h VAL 164 Cb 0.65 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1f8i h VAL 164 CO 0.04 0.11 0.16 0.22 0.02 0.00 0.00 177.57 178.12 1f8i h TYR 165 N 0.59 0.30 -0.44 1.57 5.03 -0.72 -1.20 116.97 122.11 1f8i h TYR 165 Ca 0.18 0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.42 1f8i h TYR 165 Cb -0.03 -0.10 -0.02 0.00 1.55 0.00 0.00 36.73 38.13 1f8i h TYR 165 CO -0.06 0.20 -0.06 0.93 -1.32 0.00 0.00 178.16 177.86 1f8i h GLU 166 N 0.32 0.75 -0.02 1.82 4.39 -0.91 -1.32 114.58 119.61 1f8i h GLU 166 Ca 0.09 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.56 1f8i h GLU 166 Cb -0.02 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.55 1f8i h GLU 166 CO -0.02 0.80 0.01 1.25 -1.16 0.00 0.00 179.01 179.89 1f8i h LEU 167 N 0.69 0.03 -0.60 1.33 5.85 -0.91 -0.43 115.31 121.28 1f8i h LEU 167 Ca 0.13 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.70 1f8i h LEU 167 Cb 0.51 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.47 1f8i h LEU 167 CO 0.03 0.23 0.29 -0.61 -0.34 0.00 0.00 178.44 178.04 1f8i h GLN 168 N -0.18 0.51 -0.99 1.25 5.75 -1.09 0.10 115.11 120.48 1f8i h GLN 168 Ca 0.01 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.49 1f8i h GLN 168 Cb 0.21 -0.12 -0.05 0.00 1.07 0.00 0.00 27.48 28.60 1f8i h GLN 168 CO -0.00 0.34 0.65 -0.22 -2.65 0.00 0.00 178.83 176.95 1f8i h LYS 169 N 0.53 1.29 -0.17 1.69 3.64 -1.04 -1.06 116.57 121.45 1f8i h LYS 169 Ca 0.28 -0.08 -0.19 0.00 -1.27 0.00 0.00 60.65 59.40 1f8i h LYS 169 Cb 0.24 -0.29 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1f8i h LYS 169 CO -0.22 0.85 -0.65 0.00 -2.27 0.00 0.00 179.45 177.17 1f8i h ALA 170 N 1.37 0.54 -0.70 5.00 0.00 -0.15 -1.16 119.26 124.16 1f8i h ALA 170 Ca 0.36 -0.56 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1f8i h ALA 170 Cb -0.14 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1f8i h ALA 170 CO -0.08 0.71 0.24 -0.07 0.00 0.00 0.00 179.25 180.04 1f8i h LEU 171 N 0.46 0.98 -0.11 0.00 3.38 -0.47 -1.75 115.31 117.80 1f8i h LEU 171 Ca -0.01 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1f8i h LEU 171 Cb 1.23 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 1f8i h LEU 171 CO 0.13 0.90 -0.05 0.40 0.09 0.00 0.00 178.44 179.90 1f8i h ILE 172 N 1.03 1.32 -0.63 1.22 2.04 -1.08 -1.05 117.51 120.36 1f8i h ILE 172 Ca 0.23 -1.08 0.16 0.00 1.00 0.00 0.00 64.86 65.17 1f8i h ILE 172 Cb 0.25 1.80 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 1f8i h ILE 172 CO -0.01 0.31 0.44 0.00 0.00 0.00 0.00 178.15 178.89 1f8i h ALA 173 N 0.65 2.40 0.00 1.87 0.00 -0.94 0.24 119.26 123.47 1f8i h ALA 173 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1f8i h ALA 173 Cb 0.51 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1f8i h ALA 173 CO 0.02 -0.57 -0.09 0.00 0.00 0.00 0.00 179.25 178.60 1f8i n ALA 174 N -2.61 2.47 -0.07 0.00 0.00 -0.68 -4.93 120.51 114.68 1f8i n ALA 174 Ca 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1f8i n ALA 174 Cb 0.61 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1f8i n ALA 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f8i n GLY 175 N 1.42 1.88 3.80 0.00 0.00 0.84 -3.83 105.19 109.30 1f8i n GLY 175 Ca 0.06 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1f8i n GLY 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f8i s VAL 176 N -2.00 3.73 -0.20 1.61 0.11 -0.43 -4.01 120.40 119.21 1f8i s VAL 176 Ca 0.00 0.96 0.11 0.00 -2.93 0.00 0.00 61.98 60.13 1f8i s VAL 176 Cb 0.00 -3.40 -0.20 0.00 -1.53 0.00 0.00 36.38 31.25 1f8i s VAL 176 CO 0.00 -0.35 -0.03 0.00 -3.33 0.00 0.00 175.10 171.39 1f8i n ALA 177 N -1.46 1.53 -2.98 1.54 0.00 -0.21 -4.38 120.51 114.55 1f8i n ALA 177 Ca 0.09 -1.14 -0.11 0.00 0.00 0.00 0.00 53.44 52.27 1f8i n ALA 177 Cb 0.52 -0.11 -0.07 0.00 0.00 0.00 0.00 19.45 19.80 1f8i n ALA 177 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1f8i s GLY 178 N -5.61 -0.13 -0.03 0.00 0.00 -0.52 -1.55 107.32 99.48 1f8i s GLY 178 Ca -0.17 -0.03 -0.05 0.00 0.00 0.00 0.00 44.72 44.48 1f8i s GLY 178 CO 0.68 -0.25 0.11 -1.35 0.00 0.00 0.00 173.10 172.30 1f8i s SER 179 N -2.17 -0.06 0.06 1.64 1.04 -0.21 -0.58 113.70 113.42 1f8i s SER 179 Ca -0.04 0.08 0.07 0.00 0.48 0.00 0.00 55.95 56.54 1f8i s SER 179 Cb -0.00 0.23 -0.04 0.00 0.10 0.00 0.00 66.02 66.31 1f8i s SER 179 CO -0.04 -0.14 -0.14 -1.38 0.98 0.00 0.00 173.24 172.51 1f8i s HIS 180 N -0.40 2.65 -0.02 5.02 -3.43 -0.82 -0.84 115.29 117.44 1f8i s HIS 180 Ca -0.05 -0.20 0.02 0.00 -0.80 0.00 0.00 55.06 54.03 1f8i s HIS 180 Cb -0.03 -1.46 0.00 0.00 -1.43 0.00 0.00 32.58 29.67 1f8i s HIS 180 CO 0.00 0.34 -0.08 -1.58 -2.00 0.00 0.00 174.74 171.42 1f8i s TRP 181 N -1.04 0.87 0.07 0.38 0.52 -0.07 -1.02 118.94 118.63 1f8i s TRP 181 Ca 0.17 -0.21 0.04 0.00 0.02 0.00 0.00 56.10 56.12 1f8i s TRP 181 Cb -0.11 -0.63 -0.04 0.00 -1.15 0.00 0.00 33.47 31.55 1f8i s TRP 181 CO 0.08 -0.09 -0.00 -1.83 0.02 0.00 0.00 176.95 175.13 1f8i s GLU 182 N 0.21 2.59 -0.07 4.98 -1.05 -0.29 -0.15 118.70 124.92 1f8i s GLU 182 Ca -0.03 -0.79 -0.03 0.00 -0.15 0.00 0.00 54.97 53.97 1f8i s GLU 182 Cb -0.08 -2.56 -0.08 0.00 -0.44 0.00 0.00 34.13 30.96 1f8i s GLU 182 CO 0.00 0.56 2.73 -0.40 0.95 0.00 0.00 175.26 179.10 1f8i n ASP 183 N 0.80 5.51 -4.76 0.83 5.68 -1.00 -4.57 116.55 119.04 1f8i n ASP 183 Ca -0.12 -2.57 -0.24 0.00 -0.50 0.00 0.00 54.79 51.37 1f8i n ASP 183 Cb 0.52 -1.25 -0.06 0.00 -1.14 0.00 0.00 41.12 39.19 1f8i n ASP 183 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1f8i s GLN 184 N 0.09 2.71 -0.03 0.11 -0.21 -1.26 -1.49 119.66 119.57 1f8i s GLN 184 Ca 0.35 -1.10 -0.30 0.00 0.02 0.00 0.00 55.36 54.34 1f8i s GLN 184 Cb 0.19 -2.47 -0.05 0.00 1.00 0.00 0.00 33.01 31.68 1f8i s GLN 184 CO -0.02 0.42 1.36 -1.17 -2.12 0.00 0.00 175.29 173.76 1f8i s LEU 185 N -3.50 4.29 0.15 2.90 2.96 0.84 -4.68 118.68 121.64 1f8i s LEU 185 Ca 0.31 2.01 -0.18 0.00 -0.22 0.00 0.00 54.13 56.05 1f8i s LEU 185 Cb -0.08 -3.56 0.04 0.00 0.50 0.00 0.00 46.19 43.09 1f8i s LEU 185 CO 0.23 -0.71 1.69 0.00 -1.32 0.00 0.00 176.35 176.24 1f8i h ALA 186 N 7.89 0.23 0.00 5.97 0.00 -1.87 -0.84 119.26 130.63 1f8i h ALA 186 Ca -0.36 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1f8i h ALA 186 Cb 1.17 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1f8i h ALA 186 CO 0.91 -0.45 0.00 0.66 0.00 0.00 0.00 179.25 180.37 1f8i h SER 187 N 0.02 0.00 0.00 0.00 4.64 -1.95 -2.29 113.55 113.98 1f8i h SER 187 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1f8i h SER 187 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1f8i h SER 187 CO -0.30 0.00 -0.14 -0.62 -0.87 0.00 0.00 176.83 174.90 1f8i n GLU 188 N -2.34 1.00 -1.58 4.77 -0.58 -0.91 -5.08 120.64 115.93 1f8i n GLU 188 Ca -0.01 -1.98 -0.49 0.00 -0.42 0.00 0.00 57.16 54.26 1f8i n GLU 188 Cb 0.10 -1.14 -0.04 0.00 -0.57 0.00 0.00 31.44 29.78 1f8i n GLU 188 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1f8i n LYS 189 N -0.91 1.14 -4.29 3.49 0.00 -0.37 -4.64 118.16 112.58 1f8i n LYS 189 Ca 0.10 0.41 -0.22 0.00 0.00 0.00 0.00 58.31 58.60 1f8i n LYS 189 Cb 0.62 -1.92 -0.12 0.00 0.00 0.00 0.00 35.03 33.61 1f8i n LYS 189 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1f8i s LYS 190 N -0.26 1.15 0.54 1.64 -0.14 -1.26 -4.25 119.74 117.16 1f8i s LYS 190 Ca 0.75 -1.26 -0.22 0.00 -1.36 0.00 0.00 55.97 53.88 1f8i s LYS 190 Cb -0.87 -1.26 -0.05 0.00 -1.68 0.00 0.00 37.83 33.97 1f8i s LYS 190 CO 0.52 0.27 1.32 0.45 -0.76 0.00 0.00 175.35 177.15 1f8i s SER 191 N -2.29 5.40 0.56 2.83 0.15 -0.65 -4.85 113.70 114.85 1f8i s SER 191 Ca 0.10 2.68 0.34 0.00 0.70 0.00 0.00 55.95 59.77 1f8i s SER 191 Cb -0.07 -2.63 1.49 0.00 -1.71 0.00 0.00 66.02 63.09 1f8i s SER 191 CO 0.05 -1.48 1.79 1.23 1.20 0.00 0.00 173.24 176.03 1f8i h GLY 192 N 1.52 0.00 -1.56 9.45 0.00 -2.00 -0.77 103.07 109.70 1f8i h GLY 192 Ca -0.51 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.78 1f8i h GLY 192 CO 0.58 0.00 -0.01 1.42 0.00 0.00 0.00 176.54 178.53 1f8i n HIS 193 N -4.02 0.91 -4.19 5.60 8.25 -1.26 -4.90 115.22 115.60 1f8i n HIS 193 Ca 0.22 -1.05 -0.28 0.00 -0.26 0.00 0.00 57.72 56.34 1f8i n HIS 193 Cb 1.14 -0.34 -0.08 0.00 1.12 0.00 0.00 29.99 31.83 1f8i n HIS 193 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1f8i s LEU 194 N -2.93 3.28 0.00 2.41 1.43 -0.30 -5.13 118.68 117.44 1f8i s LEU 194 Ca 0.42 -0.33 -0.08 0.00 -1.03 0.00 0.00 54.13 53.10 1f8i s LEU 194 Cb 0.35 -2.00 0.11 0.00 0.03 0.00 0.00 46.19 44.69 1f8i s LEU 194 CO 0.06 0.14 0.65 0.61 0.23 0.00 0.00 176.35 178.04 1f8i n GLY 195 N 0.29 -1.35 2.40 -3.19 0.00 -1.26 -4.56 105.19 97.52 1f8i n GLY 195 Ca -0.11 -1.68 -0.13 0.00 0.00 0.00 0.00 46.02 44.10 1f8i n GLY 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f8i n GLY 196 N 0.69 -0.05 3.78 -0.02 0.00 -1.26 -4.91 105.19 103.42 1f8i n GLY 196 Ca 0.08 -0.29 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 1f8i n GLY 196 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f8i s LYS 197 N -5.02 4.48 -0.19 1.61 1.02 -1.26 -4.85 119.74 115.53 1f8i s LYS 197 Ca 0.12 1.05 0.01 0.00 0.02 0.00 0.00 55.97 57.17 1f8i s LYS 197 Cb -0.05 -3.28 0.03 0.00 -0.52 0.00 0.00 37.83 34.01 1f8i s LYS 197 CO 0.15 0.53 -0.15 0.08 -0.92 0.00 0.00 175.35 175.04 1f8i s VAL 198 N -0.93 1.88 0.56 3.17 1.01 -1.26 -3.67 120.40 121.17 1f8i s VAL 198 Ca 0.35 -1.01 -0.08 0.00 0.00 0.00 0.00 61.98 61.24 1f8i s VAL 198 Cb -0.22 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 1f8i s VAL 198 CO 0.24 0.35 0.90 -0.76 0.00 0.00 0.00 175.10 175.83 1f8i s LEU 199 N 1.32 3.39 0.31 3.92 1.43 -0.16 -0.11 118.68 128.78 1f8i s LEU 199 Ca 0.01 1.07 0.09 0.00 -1.03 0.00 0.00 54.13 54.27 1f8i s LEU 199 Cb -0.15 -4.03 -0.04 0.00 0.03 0.00 0.00 46.19 42.00 1f8i s LEU 199 CO -0.10 -0.80 0.10 0.27 0.23 0.00 0.00 176.35 176.05 1f8i s ILE 200 N -2.97 3.24 0.54 -0.59 -5.25 -0.56 -1.16 121.20 114.46 1f8i s ILE 200 Ca 0.52 -1.75 -0.20 0.00 -0.99 0.00 0.00 60.65 58.22 1f8i s ILE 200 Cb -0.11 -2.96 -0.07 0.00 2.95 0.00 0.00 42.46 42.27 1f8i s ILE 200 CO 0.48 -0.25 0.89 -2.65 -1.79 0.00 0.00 174.94 171.62 1f8i n PRO 201 N -1.07 0.97 -0.26 0.37 -0.02 -1.26 -4.82 135.00 128.91 1f8i n PRO 201 Ca -0.04 0.36 0.03 0.00 -2.02 0.00 0.00 63.50 61.83 1f8i n PRO 201 Cb 0.60 -2.04 0.16 0.00 -0.02 0.00 0.00 33.50 32.20 1f8i n PRO 201 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1f8i h THR 202 N 0.77 0.80 -0.25 3.45 2.02 -1.95 -0.95 112.91 116.80 1f8i h THR 202 Ca -0.47 -0.20 -0.08 0.00 0.77 0.00 0.00 66.41 66.44 1f8i h THR 202 Cb 1.36 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1f8i h THR 202 CO 0.52 0.11 -0.17 -0.61 0.37 0.00 0.00 175.52 175.73 1f8i h GLN 203 N 0.58 0.43 -0.65 6.66 5.75 -1.98 -2.17 115.11 123.74 1f8i h GLN 203 Ca 0.38 -0.13 -0.06 0.00 -0.15 0.00 0.00 58.65 58.69 1f8i h GLN 203 Cb 0.46 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.94 1f8i h GLN 203 CO -0.31 0.60 0.17 0.37 -2.65 0.00 0.00 178.83 177.01 1f8i h GLN 204 N 0.40 1.01 -0.01 1.69 4.15 -1.52 -0.49 115.11 120.33 1f8i h GLN 204 Ca 0.07 -0.22 -0.13 0.00 0.77 0.00 0.00 58.65 59.14 1f8i h GLN 204 Cb 0.54 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.07 1f8i h GLN 204 CO 0.03 0.89 -0.61 1.25 -1.93 0.00 0.00 178.83 178.46 1f8i h HIS 205 N 0.97 0.07 -0.34 3.99 2.76 -1.13 -1.82 115.15 119.65 1f8i h HIS 205 Ca 0.21 -0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.28 1f8i h HIS 205 Cb 0.32 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.26 1f8i h HIS 205 CO 0.02 0.65 -0.10 0.82 -1.30 0.00 0.00 177.93 178.02 1f8i h ILE 206 N 0.04 1.23 -0.74 6.26 2.04 -0.72 0.11 117.51 125.73 1f8i h ILE 206 Ca -0.01 -1.03 -0.06 0.00 1.00 0.00 0.00 64.86 64.76 1f8i h ILE 206 Cb 1.09 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 38.22 1f8i h ILE 206 CO 0.08 0.34 0.21 0.03 0.00 0.00 0.00 178.15 178.81 1f8i h ARG 207 N 0.53 1.16 -0.08 2.37 3.08 -0.62 0.33 114.38 121.14 1f8i h ARG 207 Ca 0.10 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 59.88 1f8i h ARG 207 Cb 0.49 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 1f8i h ARG 207 CO 0.03 1.00 0.05 1.15 -1.07 0.00 0.00 179.97 181.13 1f8i h THR 208 N 1.11 1.06 -0.33 2.04 2.02 -0.45 0.15 112.91 118.52 1f8i h THR 208 Ca 0.24 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 67.22 1f8i h THR 208 Cb 0.34 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 1f8i h THR 208 CO -0.00 0.06 0.10 -0.07 0.37 0.00 0.00 175.52 175.97 1f8i h LEU 209 N 0.06 0.42 -0.24 2.58 3.38 -0.57 -0.32 115.31 120.62 1f8i h LEU 209 Ca 0.03 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 1f8i h LEU 209 Cb 0.05 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1f8i h LEU 209 CO -0.01 0.42 -0.27 0.74 0.09 0.00 0.00 178.44 179.41 1f8i h THR 210 N 0.46 1.32 -0.34 0.22 2.02 -0.41 -2.16 112.91 114.02 1f8i h THR 210 Ca 0.11 -1.45 -0.08 0.00 0.77 0.00 0.00 66.41 65.76 1f8i h THR 210 Cb 0.15 1.70 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 1f8i h THR 210 CO -0.01 0.45 -0.11 -1.28 0.37 0.00 0.00 175.52 174.95 1f8i h SER 211 N 0.31 0.56 -0.34 4.18 0.87 -0.29 -0.24 113.55 118.59 1f8i h SER 211 Ca 0.03 -0.15 -0.11 0.00 -1.23 0.00 0.00 61.79 60.34 1f8i h SER 211 Cb 0.84 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.64 1f8i h SER 211 CO 0.07 0.70 -0.16 0.00 -0.53 0.00 0.00 176.83 176.90 1f8i h ALA 212 N 1.36 0.91 -0.15 6.23 0.00 -0.95 -1.84 119.26 124.82 1f8i h ALA 212 Ca 0.10 -0.35 -0.19 0.00 0.00 0.00 0.00 54.91 54.47 1f8i h ALA 212 Cb 0.50 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1f8i h ALA 212 CO 0.03 0.62 -0.69 -0.09 0.00 0.00 0.00 179.25 179.12 1f8i h ARG 213 N 0.71 0.62 -0.38 0.00 9.65 -0.99 -2.93 114.38 121.06 1f8i h ARG 213 Ca 0.11 -0.47 -0.01 0.00 -1.10 0.00 0.00 59.98 58.51 1f8i h ARG 213 Cb 0.67 0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.32 1f8i h ARG 213 CO 0.05 1.09 0.18 1.25 2.80 0.00 0.00 179.97 185.34 1f8i h LEU 214 N 0.44 0.50 -0.86 3.80 5.85 -0.82 0.70 115.31 124.93 1f8i h LEU 214 Ca -0.02 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.59 1f8i h LEU 214 Cb 1.28 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 42.13 1f8i h LEU 214 CO 0.13 0.48 0.56 0.00 -0.34 0.00 0.00 178.44 179.28 1f8i h ALA 215 N 1.03 1.11 -0.56 1.25 0.00 -1.37 0.14 119.26 120.85 1f8i h ALA 215 Ca 0.13 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1f8i h ALA 215 Cb 0.12 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1f8i h ALA 215 CO -0.02 0.45 0.20 0.00 0.00 0.00 0.00 179.25 179.88 1f8i h ALA 216 N 1.33 0.74 -0.37 0.00 0.00 -1.25 -0.69 119.26 119.02 1f8i h ALA 216 Ca 0.33 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1f8i h ALA 216 Cb -0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1f8i h ALA 216 CO -0.09 0.37 0.05 -0.44 0.00 0.00 0.00 179.25 179.14 1f8i h ASP 217 N 0.78 0.60 0.22 0.00 3.32 -0.14 -1.40 116.42 119.79 1f8i h ASP 217 Ca 0.19 -0.27 -0.05 0.00 0.02 0.00 0.00 57.03 56.91 1f8i h ASP 217 Cb 0.24 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1f8i h ASP 217 CO -0.01 0.72 -0.23 0.58 -1.72 0.00 0.00 179.24 178.58 1f8i h VAL 218 N 0.46 1.17 -0.05 -1.35 2.07 -0.61 -0.06 116.25 117.88 1f8i h VAL 218 Ca 0.11 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1f8i h VAL 218 Cb 0.38 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1f8i h VAL 218 CO 0.01 0.24 0.00 0.00 0.02 0.00 0.00 177.57 177.83 1f8i n ALA 219 N -2.49 2.59 -3.74 1.67 0.00 -0.28 -4.87 120.51 113.38 1f8i n ALA 219 Ca -0.02 -0.37 -0.27 0.00 0.00 0.00 0.00 53.44 52.78 1f8i n ALA 219 Cb 0.29 -1.24 0.06 0.00 0.00 0.00 0.00 19.45 18.56 1f8i n ALA 219 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1f8i n ASP 220 N -0.17 -5.67 -4.06 0.00 2.03 -0.04 -4.75 116.55 103.90 1f8i n ASP 220 Ca 0.18 -0.65 -0.16 0.00 0.52 0.00 0.00 54.79 54.69 1f8i n ASP 220 Cb 0.25 -4.53 -0.13 0.00 -0.72 0.00 0.00 41.12 36.00 1f8i n ASP 220 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1f8i s VAL 221 N -3.31 0.67 -0.12 5.18 -7.23 -0.72 -4.98 120.40 109.89 1f8i s VAL 221 Ca 0.62 -0.85 -0.03 0.00 -1.81 0.00 0.00 61.98 59.91 1f8i s VAL 221 Cb -0.29 -0.66 -0.04 0.00 0.56 0.00 0.00 36.38 35.94 1f8i s VAL 221 CO 0.77 -0.15 2.67 -0.81 -0.31 0.00 0.00 175.10 177.27 1f8i n PRO 222 N 1.94 1.69 -1.58 4.82 -0.04 -1.26 -4.35 135.00 136.22 1f8i n PRO 222 Ca -0.19 -0.97 -0.51 0.00 -0.04 0.00 0.00 63.50 61.79 1f8i n PRO 222 Cb 0.56 -1.62 -0.05 0.00 -0.04 0.00 0.00 33.50 32.34 1f8i n PRO 222 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1f8i n THR 223 N 1.54 0.42 -2.46 0.52 -1.04 -1.26 -4.82 114.28 107.17 1f8i n THR 223 Ca 0.27 -0.11 -0.43 0.00 -2.04 0.00 0.00 64.05 61.75 1f8i n THR 223 Cb 0.66 -0.76 -0.02 0.00 -1.82 0.00 0.00 70.33 68.39 1f8i n THR 223 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1f8i s VAL 224 N 0.13 4.33 -0.23 12.58 1.01 -0.60 -4.96 120.40 132.67 1f8i s VAL 224 Ca 0.80 1.62 -0.09 0.00 0.00 0.00 0.00 61.98 64.31 1f8i s VAL 224 Cb -0.93 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 31.36 1f8i s VAL 224 CO 0.50 -0.11 0.12 -0.69 0.00 0.00 0.00 175.10 174.92 1f8i s VAL 225 N 3.16 4.99 -0.12 2.92 1.01 -1.26 -1.05 120.40 130.05 1f8i s VAL 225 Ca 0.54 0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.57 1f8i s VAL 225 Cb -0.21 -3.31 -0.01 0.00 0.00 0.00 0.00 36.38 32.84 1f8i s VAL 225 CO 0.15 0.37 -0.15 -0.63 0.00 0.00 0.00 175.10 174.85 1f8i s ILE 226 N 1.01 2.93 -0.17 2.22 1.01 -0.02 -0.67 121.20 127.51 1f8i s ILE 226 Ca 0.06 -0.71 -0.06 0.00 0.00 0.00 0.00 60.65 59.93 1f8i s ILE 226 Cb -0.14 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 1f8i s ILE 226 CO 0.04 0.54 0.04 0.00 0.00 0.00 0.00 174.94 175.55 1f8i s ALA 227 N 0.24 3.34 -0.03 9.38 0.00 -0.57 -0.90 121.76 133.22 1f8i s ALA 227 Ca -0.10 -0.76 0.07 0.00 0.00 0.00 0.00 51.96 51.18 1f8i s ALA 227 Cb -0.16 -1.81 -0.02 0.00 0.00 0.00 0.00 23.12 21.13 1f8i s ALA 227 CO 0.06 0.25 -0.24 0.50 0.00 0.00 0.00 175.76 176.32 1f8i s ARG 228 N 0.18 2.25 -0.04 0.00 3.52 0.78 -0.49 118.95 125.16 1f8i s ARG 228 Ca 0.03 -0.90 0.07 0.00 -0.13 0.00 0.00 55.73 54.80 1f8i s ARG 228 Cb -0.13 -2.11 -0.02 0.00 -1.56 0.00 0.00 34.95 31.14 1f8i s ARG 228 CO 0.01 0.53 -0.25 -0.08 -0.81 0.00 0.00 175.30 174.70 1f8i s THR 229 N -0.53 2.10 -0.55 4.11 -1.32 -0.34 -2.37 115.64 116.73 1f8i s THR 229 Ca 0.07 -1.07 0.15 0.00 -1.21 0.00 0.00 61.69 59.63 1f8i s THR 229 Cb -0.11 -1.74 0.53 0.00 -1.51 0.00 0.00 72.50 69.67 1f8i s THR 229 CO 0.00 0.58 1.44 0.47 -2.21 0.00 0.00 174.62 174.90 1f8i n ASP 230 N 2.70 3.95 0.16 8.08 8.00 -1.26 -2.63 116.55 135.54 1f8i n ASP 230 Ca -0.17 -2.64 0.13 0.00 0.71 0.00 0.00 54.79 52.82 1f8i n ASP 230 Cb 0.52 -0.48 0.58 0.00 -0.02 0.00 0.00 41.12 41.71 1f8i n ASP 230 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f8i h ALA 231 N 2.45 1.00 -0.94 2.24 0.00 -1.90 -2.64 119.26 119.47 1f8i h ALA 231 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1f8i h ALA 231 Cb 1.30 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 1f8i h ALA 231 CO 0.19 0.00 0.61 1.49 0.00 0.00 0.00 179.25 181.54 1f8i h GLU 232 N 0.00 1.17 0.00 0.00 4.22 -1.80 -2.68 114.58 115.49 1f8i h GLU 232 Ca 0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 59.36 59.36 1f8i h GLU 232 Cb 0.23 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 1f8i h GLU 232 CO 0.00 0.78 -1.30 0.00 -2.18 0.00 0.00 179.01 176.31 1f8i n ALA 233 N -2.36 2.21 -1.93 2.92 0.00 -1.19 -1.29 120.51 118.87 1f8i n ALA 233 Ca 0.12 -0.17 -0.42 0.00 0.00 0.00 0.00 53.44 52.97 1f8i n ALA 233 Cb 0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 19.45 19.29 1f8i n ALA 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f8i s ALA 234 N -2.43 3.73 -0.89 0.00 0.00 -1.00 -4.88 121.76 116.29 1f8i s ALA 234 Ca -0.02 1.29 0.10 0.00 0.00 0.00 0.00 51.96 53.33 1f8i s ALA 234 Cb 0.04 -3.66 0.27 0.00 0.00 0.00 0.00 23.12 19.77 1f8i s ALA 234 CO 0.27 -0.93 1.21 0.25 0.00 0.00 0.00 175.76 176.55 1f8i n THR 235 N 4.33 0.93 -4.16 0.00 -2.24 -1.26 -4.04 114.28 107.84 1f8i n THR 235 Ca 0.15 -0.97 -0.17 0.00 -2.27 0.00 0.00 64.05 60.79 1f8i n THR 235 Cb 0.39 0.55 -0.12 0.00 -2.10 0.00 0.00 70.33 69.06 1f8i n THR 235 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1f8i s LEU 236 N -0.99 2.30 -0.03 3.22 1.43 -1.24 -0.78 118.68 122.58 1f8i s LEU 236 Ca 0.21 -0.64 -0.08 0.00 -1.03 0.00 0.00 54.13 52.59 1f8i s LEU 236 Cb 0.11 -0.45 0.01 0.00 0.03 0.00 0.00 46.19 45.89 1f8i s LEU 236 CO 0.14 -0.12 0.18 -0.51 0.23 0.00 0.00 176.35 176.28 1f8i s ILE 237 N -1.47 0.05 0.28 -0.59 2.07 -0.03 -0.98 121.20 120.52 1f8i s ILE 237 Ca -0.01 -0.38 0.16 0.00 -1.41 0.00 0.00 60.65 59.00 1f8i s ILE 237 Cb -0.09 -0.39 0.10 0.00 0.13 0.00 0.00 42.46 42.21 1f8i s ILE 237 CO 0.02 -0.21 1.77 0.71 -1.91 0.00 0.00 174.94 175.32 1f8i h THR 238 N 4.46 1.09 -3.34 4.00 1.35 -1.44 0.50 112.91 119.53 1f8i h THR 238 Ca -0.28 -1.48 -0.05 0.00 -0.55 0.00 0.00 66.41 64.05 1f8i h THR 238 Cb 1.19 1.84 -0.13 0.00 -1.73 0.00 0.00 68.15 69.33 1f8i h THR 238 CO 0.40 0.39 -0.05 -0.55 -0.25 0.00 0.00 175.52 175.46 1f8i s SER 239 N -6.64 -0.27 -0.10 5.36 0.15 -1.26 -4.65 113.70 106.28 1f8i s SER 239 Ca -0.01 -0.27 0.14 0.00 0.70 0.00 0.00 55.95 56.51 1f8i s SER 239 Cb 0.13 0.48 0.46 0.00 -1.71 0.00 0.00 66.02 65.38 1f8i s SER 239 CO 0.70 -0.85 1.38 -0.90 1.20 0.00 0.00 173.24 174.77 1f8i n ASP 240 N -0.20 3.62 -0.21 5.45 5.75 -1.26 -4.68 116.55 125.02 1f8i n ASP 240 Ca -0.16 -2.57 0.00 0.00 -0.01 0.00 0.00 54.79 52.04 1f8i n ASP 240 Cb 0.64 -0.43 0.23 0.00 -1.03 0.00 0.00 41.12 40.53 1f8i n ASP 240 CO 0.00 0.00 0.00 1.62 -0.11 0.00 0.00 177.20 178.71 1f8i h VAL 241 N 2.11 1.20 -3.31 2.12 3.04 -2.00 -3.42 116.25 115.99 1f8i h VAL 241 Ca 0.00 -0.41 -0.59 0.00 -1.01 0.00 0.00 66.70 64.69 1f8i h VAL 241 Cb 1.18 0.14 -0.08 0.00 -2.01 0.00 0.00 31.29 30.52 1f8i h VAL 241 CO 0.14 0.20 0.64 -0.62 -1.01 0.00 0.00 177.57 176.93 1f8i s ASP 242 N -6.38 6.86 0.54 3.17 -1.08 -1.26 -4.92 116.67 113.60 1f8i s ASP 242 Ca -0.11 0.97 0.26 0.00 -0.52 0.00 0.00 52.55 53.15 1f8i s ASP 242 Cb 0.17 -2.48 1.44 0.00 -1.46 0.00 0.00 42.92 40.59 1f8i s ASP 242 CO 0.79 -0.71 2.00 -0.33 0.52 0.00 0.00 175.17 177.44 1f8i h GLU 243 N 7.94 0.00 0.00 4.34 5.08 -2.00 0.12 114.58 130.06 1f8i h GLU 243 Ca -0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1f8i h GLU 243 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1f8i h GLU 243 CO 0.95 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.96 1f8i h ARG 244 N 0.00 0.00 0.00 2.33 3.08 -1.95 -3.09 114.38 114.74 1f8i h ARG 244 Ca 0.22 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 60.01 1f8i h ARG 244 Cb 0.93 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.94 1f8i h ARG 244 CO -0.00 0.00 -2.19 -0.25 -1.07 0.00 0.00 179.97 176.46 1f8i n ASP 245 N -2.60 0.09 -0.35 7.04 8.00 0.39 -4.53 116.55 124.60 1f8i n ASP 245 Ca 0.02 0.04 0.17 0.00 0.71 0.00 0.00 54.79 55.72 1f8i n ASP 245 Cb 0.28 1.17 0.37 0.00 -0.02 0.00 0.00 41.12 42.91 1f8i n ASP 245 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1f8i h GLN 246 N 0.00 0.60 -0.21 -1.24 4.20 -1.38 -0.90 115.11 116.17 1f8i h GLN 246 Ca -0.37 -0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.37 1f8i h GLN 246 Cb 1.86 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 29.50 1f8i h GLN 246 CO 0.02 0.40 0.37 -1.35 -0.67 0.00 0.00 178.83 177.60 1f8i h PRO 247 N 0.62 0.00 0.00 1.46 0.11 -1.80 -1.27 132.00 131.12 1f8i h PRO 247 Ca 0.63 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.74 1f8i h PRO 247 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1f8i h PRO 247 CO -0.46 0.00 -1.38 1.19 -0.21 0.00 0.00 178.00 177.14 1f8i n PHE 248 N -3.36 0.00 -2.12 0.65 3.72 -0.35 -4.95 117.46 111.05 1f8i n PHE 248 Ca 0.03 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.00 1f8i n PHE 248 Cb 0.49 -0.20 -0.03 0.00 -0.94 0.00 0.00 39.48 38.80 1f8i n PHE 248 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1f8i s ILE 249 N -3.13 3.56 -0.11 4.37 -1.09 -0.48 -0.94 121.20 123.38 1f8i s ILE 249 Ca 0.01 0.89 0.14 0.00 -2.23 0.00 0.00 60.65 59.46 1f8i s ILE 249 Cb 0.14 -3.58 0.03 0.00 -1.58 0.00 0.00 42.46 37.47 1f8i s ILE 249 CO 0.84 -0.03 1.43 0.71 -1.23 0.00 0.00 174.94 176.66 1f8i h THR 250 N 5.08 0.99 0.00 2.92 1.35 -1.71 -3.48 112.91 118.06 1f8i h THR 250 Ca -0.38 -2.38 0.00 0.00 -0.55 0.00 0.00 66.41 63.09 1f8i h THR 250 Cb 1.18 2.48 0.00 0.00 -1.73 0.00 0.00 68.15 70.08 1f8i h THR 250 CO 0.93 0.56 0.00 0.61 -0.25 0.00 0.00 175.52 177.37 1f8i n GLY 251 N 1.23 2.85 3.78 5.82 0.00 -1.26 -5.06 105.19 112.55 1f8i n GLY 251 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1f8i n GLY 251 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1f8i s GLU 252 N -0.49 3.59 0.10 1.61 2.02 -1.26 -4.91 118.70 119.36 1f8i s GLU 252 Ca 0.00 1.53 0.06 0.00 0.02 0.00 0.00 54.97 56.59 1f8i s GLU 252 Cb 0.00 -2.10 -0.03 0.00 0.10 0.00 0.00 34.13 32.10 1f8i s GLU 252 CO 0.00 -0.64 -0.16 1.03 0.02 0.00 0.00 175.26 175.51 1f8i s ARG 253 N -3.17 0.99 0.46 1.61 1.81 -1.26 -1.57 118.95 117.82 1f8i s ARG 253 Ca 0.69 -1.13 0.05 0.00 -1.72 0.00 0.00 55.73 53.63 1f8i s ARG 253 Cb -0.22 -1.03 0.02 0.00 -0.45 0.00 0.00 34.95 33.27 1f8i s ARG 253 CO 0.25 0.22 0.64 0.95 -0.68 0.00 0.00 175.30 176.68 1f8i s THR 254 N -1.56 2.96 0.40 0.02 -4.23 -0.62 -4.95 115.64 107.66 1f8i s THR 254 Ca 0.05 -0.87 0.10 0.00 -1.18 0.00 0.00 61.69 59.78 1f8i s THR 254 Cb -0.08 -3.03 0.31 0.00 1.34 0.00 0.00 72.50 71.03 1f8i s THR 254 CO 0.03 -0.02 1.98 0.03 -0.54 0.00 0.00 174.62 176.10 1f8i h ARG 255 N 0.45 0.56 0.00 3.99 3.08 -2.02 0.64 114.38 121.08 1f8i h ARG 255 Ca -0.41 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.60 1f8i h ARG 255 Cb 1.28 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.21 1f8i h ARG 255 CO 0.48 0.37 0.00 0.39 -1.07 0.00 0.00 179.97 180.14 1f8i n GLU 256 N -4.48 0.06 -0.19 0.04 4.71 -1.26 -4.89 120.64 114.63 1f8i n GLU 256 Ca 0.10 0.18 0.00 0.00 -0.01 0.00 0.00 57.16 57.42 1f8i n GLU 256 Cb 0.28 -1.59 0.00 0.00 -1.01 0.00 0.00 31.44 29.12 1f8i n GLU 256 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1f8i n GLY 257 N 0.70 0.84 3.84 0.62 0.00 0.22 -5.08 105.19 106.33 1f8i n GLY 257 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1f8i n GLY 257 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1f8i s PHE 258 N -2.08 3.02 -0.05 1.61 0.08 -1.26 -4.76 117.98 114.54 1f8i s PHE 258 Ca 0.00 1.06 0.03 0.00 0.12 0.00 0.00 56.93 58.14 1f8i s PHE 258 Cb 0.00 -3.15 -0.03 0.00 -0.57 0.00 0.00 43.02 39.27 1f8i s PHE 258 CO 0.00 -1.57 -0.13 0.71 -0.10 0.00 0.00 175.22 174.13 1f8i s TYR 259 N -3.28 2.74 0.36 0.36 1.51 0.17 -1.59 117.35 117.61 1f8i s TYR 259 Ca 0.60 -0.13 -0.26 0.00 -1.01 0.00 0.00 57.07 56.27 1f8i s TYR 259 Cb -0.13 -1.64 -0.09 0.00 -0.11 0.00 0.00 41.96 39.99 1f8i s TYR 259 CO 0.53 0.21 1.03 1.03 -1.11 0.00 0.00 175.55 177.24 1f8i s ARG 260 N -0.74 4.36 -0.02 -0.62 1.81 -0.61 -0.85 118.95 122.29 1f8i s ARG 260 Ca 0.11 1.53 -0.06 0.00 -1.72 0.00 0.00 55.73 55.60 1f8i s ARG 260 Cb -0.11 -2.74 0.01 0.00 -0.45 0.00 0.00 34.95 31.66 1f8i s ARG 260 CO 0.01 0.03 0.13 -0.08 -0.68 0.00 0.00 175.30 174.71 1f8i s THR 261 N -1.54 0.05 -0.27 0.02 -1.32 0.04 -1.97 115.64 110.64 1f8i s THR 261 Ca 0.53 -0.39 -0.29 0.00 -1.21 0.00 0.00 61.69 60.33 1f8i s THR 261 Cb -0.23 -0.33 -0.00 0.00 -1.51 0.00 0.00 72.50 70.43 1f8i s THR 261 CO 0.30 -0.22 1.28 -0.54 -2.21 0.00 0.00 174.62 173.23 1f8i s LYS 262 N -0.73 3.98 0.90 7.08 1.02 -0.11 -4.37 119.74 127.51 1f8i s LYS 262 Ca -0.08 1.32 -0.14 0.00 0.02 0.00 0.00 55.97 57.09 1f8i s LYS 262 Cb -0.05 -3.85 0.20 0.00 -0.52 0.00 0.00 37.83 33.61 1f8i s LYS 262 CO 0.01 -1.03 1.22 0.27 -0.92 0.00 0.00 175.35 174.89 1f8i n ASN 263 N 7.40 0.24 0.00 2.83 6.94 -1.26 -4.77 115.26 126.65 1f8i n ASN 263 Ca 0.14 -1.53 0.00 0.00 -0.02 0.00 0.00 54.58 53.17 1f8i n ASN 263 Cb 0.46 -0.92 0.00 0.00 -2.36 0.00 0.00 39.78 36.96 1f8i n ASN 263 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1f8i n GLY 264 N -3.09 0.74 0.18 4.83 0.00 -0.41 -4.83 105.19 102.61 1f8i n GLY 264 Ca 0.16 -2.23 -0.02 0.00 0.00 0.00 0.00 46.02 43.92 1f8i n GLY 264 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1f8i h ILE 265 N 0.00 1.35 -0.32 -0.61 2.10 -1.88 -3.24 117.51 114.92 1f8i h ILE 265 Ca 0.00 -1.73 0.05 0.00 1.08 0.00 0.00 64.86 64.26 1f8i h ILE 265 Cb 0.00 1.86 -0.04 0.00 -1.09 0.00 0.00 36.82 37.55 1f8i h ILE 265 CO 0.00 0.51 0.06 -0.08 -1.08 0.00 0.00 178.15 177.56 1f8i h GLU 266 N 0.12 0.17 -0.41 2.19 4.81 -1.96 -0.04 114.58 119.47 1f8i h GLU 266 Ca 0.00 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 1f8i h GLU 266 Cb 0.93 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 1f8i h GLU 266 CO 0.07 0.11 -0.02 -1.35 -0.73 0.00 0.00 179.01 177.09 1f8i h PRO 267 N 0.17 0.67 -0.73 0.92 0.11 -1.86 -2.11 132.00 129.18 1f8i h PRO 267 Ca 0.15 -0.17 -0.06 0.00 0.11 0.00 0.00 66.00 66.02 1f8i h PRO 267 Cb 0.16 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.16 1f8i h PRO 267 CO -0.20 0.70 0.21 0.00 -0.21 0.00 0.00 178.00 178.51 1f8i h ILE 269 N 1.09 1.25 0.30 0.00 2.04 -0.74 0.33 117.51 121.78 1f8i h ILE 269 Ca 0.23 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 1f8i h ILE 269 Cb 0.32 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 1f8i h ILE 269 CO -0.01 0.30 -0.14 0.00 0.00 0.00 0.00 178.15 178.31 1f8i h ALA 270 N 0.85 -0.40 -0.85 1.87 0.00 -1.12 -1.53 119.26 118.08 1f8i h ALA 270 Ca 0.09 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1f8i h ALA 270 Cb 0.43 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1f8i h ALA 270 CO 0.01 -0.70 0.52 0.00 0.00 0.00 0.00 179.25 179.09 1f8i h ARG 271 N -0.45 1.15 -0.88 0.00 3.08 -1.13 -1.74 114.38 114.41 1f8i h ARG 271 Ca -0.04 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 1f8i h ARG 271 Cb 0.34 -0.25 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 1f8i h ARG 271 CO 0.07 0.79 0.50 0.00 -1.07 0.00 0.00 179.97 180.26 1f8i h ALA 272 N 1.41 1.13 -0.45 0.04 0.00 -0.67 0.56 119.26 121.28 1f8i h ALA 272 Ca 0.31 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1f8i h ALA 272 Cb -0.07 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.35 1f8i h ALA 272 CO -0.06 0.63 -0.10 0.87 0.00 0.00 0.00 179.25 180.59 1f8i h LYS 273 N 1.23 0.81 -0.07 0.00 1.57 -0.70 -0.61 116.57 118.80 1f8i h LYS 273 Ca 0.31 -0.27 -0.12 0.00 -1.87 0.00 0.00 60.65 58.70 1f8i h LYS 273 Cb 0.01 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1f8i h LYS 273 CO -0.05 0.88 -0.49 0.00 -0.57 0.00 0.00 179.45 179.21 1f8i h ALA 274 N 1.15 1.03 0.00 3.86 0.00 -0.47 -3.21 119.26 121.62 1f8i h ALA 274 Ca 0.12 -0.47 -0.15 0.00 0.00 0.00 0.00 54.91 54.42 1f8i h ALA 274 Cb 0.59 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1f8i h ALA 274 CO 0.04 0.65 -0.97 1.88 0.00 0.00 0.00 179.25 180.84 1f8i h TYR 275 N 0.15 0.00 -0.89 0.00 0.05 -0.65 -3.40 116.97 112.23 1f8i h TYR 275 Ca 0.01 0.00 0.21 0.00 0.05 0.00 0.00 58.73 58.99 1f8i h TYR 275 Cb 0.93 0.00 -0.17 0.00 1.01 0.00 0.00 36.73 38.50 1f8i h TYR 275 CO 0.01 0.61 -0.12 0.00 -1.05 0.00 0.00 178.16 177.61 1f8i n ALA 276 N -2.32 0.32 0.30 3.88 0.00 -0.26 0.62 120.51 123.05 1f8i n ALA 276 Ca -0.04 0.97 0.16 0.00 0.00 0.00 0.00 53.44 54.53 1f8i n ALA 276 Cb 0.81 -0.63 0.74 0.00 0.00 0.00 0.00 19.45 20.37 1f8i n ALA 276 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1f8i h PRO 277 N 0.00 0.00 -0.26 0.00 0.11 -1.79 -2.62 132.00 127.44 1f8i h PRO 277 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 1f8i h PRO 277 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1f8i h PRO 277 CO -0.88 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.10 1f8i n PHE 278 N -2.73 0.64 -3.78 0.65 3.72 0.20 -1.43 117.46 114.73 1f8i n PHE 278 Ca -0.00 -0.72 -0.14 0.00 -0.05 0.00 0.00 57.45 56.53 1f8i n PHE 278 Cb 0.19 -0.18 -0.15 0.00 -0.94 0.00 0.00 39.48 38.40 1f8i n PHE 278 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1f8i s ALA 279 N -2.03 -0.01 -0.12 4.37 0.00 -0.91 -4.85 121.76 118.21 1f8i s ALA 279 Ca 0.32 0.35 0.23 0.00 0.00 0.00 0.00 51.96 52.85 1f8i s ALA 279 Cb 0.23 -0.26 0.60 0.00 0.00 0.00 0.00 23.12 23.69 1f8i s ALA 279 CO 0.10 -0.10 1.69 -0.44 0.00 0.00 0.00 175.76 177.01 1f8i h ASP 280 N 7.12 0.00 -4.82 0.00 3.32 -1.18 -3.45 116.42 117.40 1f8i h ASP 280 Ca -0.42 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.51 1f8i h ASP 280 Cb 1.14 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.48 1f8i h ASP 280 CO 0.47 0.19 -0.24 -0.76 -1.72 0.00 0.00 179.24 177.18 1f8i s LEU 281 N -6.43 0.71 -0.03 1.55 1.02 -1.17 -4.21 118.68 110.12 1f8i s LEU 281 Ca 0.03 0.23 0.05 0.00 0.02 0.00 0.00 54.13 54.46 1f8i s LEU 281 Cb 0.08 1.35 -0.01 0.00 0.02 0.00 0.00 46.19 47.63 1f8i s LEU 281 CO 0.66 -0.41 -0.19 -0.63 0.02 0.00 0.00 176.35 175.80 1f8i s ILE 282 N -1.09 1.55 -0.05 -0.59 1.01 -0.87 -1.52 121.20 119.65 1f8i s ILE 282 Ca -0.11 -0.81 0.03 0.00 0.00 0.00 0.00 60.65 59.76 1f8i s ILE 282 Cb -0.04 -1.31 0.01 0.00 0.01 0.00 0.00 42.46 41.12 1f8i s ILE 282 CO 0.04 0.44 -0.13 0.86 0.00 0.00 0.00 174.94 176.16 1f8i s TRP 283 N -0.19 1.38 -0.21 3.97 -0.00 0.36 -1.37 118.94 122.89 1f8i s TRP 283 Ca 0.01 -0.43 -0.01 0.00 -0.00 0.00 0.00 56.10 55.67 1f8i s TRP 283 Cb -0.10 -0.98 0.01 0.00 -0.00 0.00 0.00 33.47 32.40 1f8i s TRP 283 CO 0.01 -0.19 -0.12 1.41 -0.00 0.00 0.00 176.95 178.06 1f8i s MET 284 N 0.33 3.08 0.33 5.86 -2.45 -1.26 -1.20 119.30 123.99 1f8i s MET 284 Ca -0.08 -0.80 -0.28 0.00 -1.25 0.00 0.00 55.69 53.29 1f8i s MET 284 Cb -0.12 -2.79 -0.09 0.00 1.25 0.00 0.00 34.83 33.07 1f8i s MET 284 CO 0.02 -0.24 1.14 -1.21 1.05 0.00 0.00 175.02 175.78 1f8i s GLU 285 N 1.35 4.39 0.14 4.11 0.41 -1.08 -4.83 118.70 123.20 1f8i s GLU 285 Ca 0.04 1.85 0.05 0.00 -0.41 0.00 0.00 54.97 56.50 1f8i s GLU 285 Cb -0.14 -2.97 -0.04 0.00 -1.78 0.00 0.00 34.13 29.20 1f8i s GLU 285 CO -0.08 -0.02 -0.12 0.95 -0.49 0.00 0.00 175.26 175.50 1f8i s THR 286 N -1.28 1.25 -0.97 3.63 -4.23 -1.26 -4.54 115.64 108.24 1f8i s THR 286 Ca 0.50 -1.93 0.27 0.00 -1.18 0.00 0.00 61.69 59.35 1f8i s THR 286 Cb -0.32 -1.72 0.15 0.00 1.34 0.00 0.00 72.50 71.95 1f8i s THR 286 CO 0.41 -0.62 1.72 0.61 -0.54 0.00 0.00 174.62 176.20 1f8i n GLY 287 N 0.07 -1.42 3.29 3.99 0.00 -1.26 -4.91 105.19 104.95 1f8i n GLY 287 Ca -0.12 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 1f8i n GLY 287 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1f8i s THR 288 N -3.01 0.08 -0.85 2.61 -4.23 -1.26 -4.95 115.64 104.03 1f8i s THR 288 Ca 0.13 -0.69 -0.24 0.00 -1.18 0.00 0.00 61.69 59.71 1f8i s THR 288 Cb 0.18 -1.17 0.06 0.00 1.34 0.00 0.00 72.50 72.90 1f8i s THR 288 CO 0.60 -0.38 1.28 -2.16 -0.54 0.00 0.00 174.62 173.41 1f8i s PRO 289 N -3.65 3.37 -0.25 3.99 0.04 -1.26 -4.95 135.00 132.29 1f8i s PRO 289 Ca 0.02 -0.83 -0.00 0.00 0.04 0.00 0.00 61.00 60.23 1f8i s PRO 289 Cb 0.02 -4.71 0.07 0.00 0.04 0.00 0.00 34.50 29.93 1f8i s PRO 289 CO -0.11 -2.08 0.01 0.34 0.04 0.00 0.00 177.00 175.21 1f8i s ASP 290 N 4.17 3.76 0.44 6.66 -1.08 -1.26 -4.91 116.67 124.44 1f8i s ASP 290 Ca 0.37 -1.29 0.11 0.00 -0.52 0.00 0.00 52.55 51.22 1f8i s ASP 290 Cb -0.06 -1.01 0.99 0.00 -1.46 0.00 0.00 42.92 41.38 1f8i s ASP 290 CO 0.02 -0.31 2.05 -0.07 0.52 0.00 0.00 175.17 177.39 1f8i h LEU 291 N 8.02 0.35 -0.29 -1.34 3.38 -1.98 -1.18 115.31 122.28 1f8i h LEU 291 Ca -0.15 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.66 1f8i h LEU 291 Cb 1.06 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 1f8i h LEU 291 CO 0.42 0.24 -0.42 -0.08 0.09 0.00 0.00 178.44 178.70 1f8i h GLU 292 N 0.41 0.79 -0.62 1.13 4.22 -1.99 -0.02 114.58 118.51 1f8i h GLU 292 Ca 0.16 -0.47 -0.08 0.00 0.08 0.00 0.00 59.36 59.05 1f8i h GLU 292 Cb 0.13 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1f8i h GLU 292 CO -0.04 1.10 0.05 0.00 -2.18 0.00 0.00 179.01 177.94 1f8i h ALA 293 N 0.69 0.92 -0.65 2.92 0.00 -1.85 -1.44 119.26 119.85 1f8i h ALA 293 Ca 0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1f8i h ALA 293 Cb 1.01 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1f8i h ALA 293 CO 0.10 0.66 0.29 0.00 0.00 0.00 0.00 179.25 180.29 1f8i h ALA 294 N 1.08 0.84 -0.12 0.00 0.00 -1.09 -1.69 119.26 118.27 1f8i h ALA 294 Ca 0.18 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1f8i h ALA 294 Cb 0.49 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1f8i h ALA 294 CO 0.02 0.42 0.06 -0.09 0.00 0.00 0.00 179.25 179.66 1f8i h ARG 295 N 0.90 0.13 -0.55 0.00 2.43 -0.62 0.08 114.38 116.76 1f8i h ARG 295 Ca 0.22 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.48 1f8i h ARG 295 Cb 0.15 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.60 1f8i h ARG 295 CO -0.02 0.09 0.13 0.37 -1.51 0.00 0.00 179.97 179.02 1f8i h GLN 296 N 0.13 0.26 0.08 0.20 4.15 -0.98 0.77 115.11 119.72 1f8i h GLN 296 Ca 0.05 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.45 1f8i h GLN 296 Cb -0.00 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.63 1f8i h GLN 296 CO -0.03 0.17 -0.04 0.35 -1.93 0.00 0.00 178.83 177.36 1f8i h PHE 297 N 0.27 -0.10 -0.20 3.99 3.57 -0.99 -2.52 116.94 120.96 1f8i h PHE 297 Ca 0.28 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.80 1f8i h PHE 297 Cb 0.38 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 1f8i h PHE 297 CO -0.23 0.16 0.06 1.03 -2.23 0.00 0.00 178.31 177.10 1f8i h SER 298 N -0.35 0.05 -0.54 0.41 0.87 -0.54 -1.63 113.55 111.81 1f8i h SER 298 Ca -0.01 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.55 1f8i h SER 298 Cb 0.30 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 1f8i h SER 298 CO 0.02 0.06 0.23 -0.33 -0.53 0.00 0.00 176.83 176.28 1f8i h GLU 299 N 0.15 0.80 -0.78 2.24 5.08 -0.91 0.23 114.58 121.40 1f8i h GLU 299 Ca 0.09 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1f8i h GLU 299 Cb 0.07 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 1f8i h GLU 299 CO -0.10 0.69 0.40 0.00 -1.00 0.00 0.00 179.01 179.00 1f8i h ALA 300 N 1.08 1.00 -0.03 3.43 0.00 -1.29 -0.47 119.26 122.97 1f8i h ALA 300 Ca 0.18 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1f8i h ALA 300 Cb 0.17 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1f8i h ALA 300 CO -0.02 0.54 -0.07 0.28 0.00 0.00 0.00 179.25 179.98 1f8i h VAL 301 N 1.09 1.44 0.00 0.00 2.07 -1.09 -3.15 116.25 116.61 1f8i h VAL 301 Ca 0.27 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.38 1f8i h VAL 301 Cb 0.07 2.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1f8i h VAL 301 CO -0.04 0.38 0.00 0.11 0.02 0.00 0.00 177.57 178.04 1f8i h LYS 302 N -0.43 0.00 0.00 1.57 1.57 -0.88 -1.44 116.57 116.96 1f8i h LYS 302 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1f8i h LYS 302 Cb 0.66 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 1f8i h LYS 302 CO 0.02 0.00 -0.05 0.00 -0.57 0.00 0.00 179.45 178.85 1f8i h ALA 303 N 2.08 1.36 0.00 3.86 0.00 -1.03 -1.50 119.26 124.02 1f8i h ALA 303 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1f8i h ALA 303 Cb 0.29 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1f8i h ALA 303 CO 0.00 0.06 -1.28 0.39 0.00 0.00 0.00 179.25 178.42 1f8i n GLU 304 N -3.66 0.33 -3.35 0.00 1.02 -0.86 -4.83 120.64 109.30 1f8i n GLU 304 Ca -0.02 -0.05 -0.26 0.00 -0.02 0.00 0.00 57.16 56.80 1f8i n GLU 304 Cb 0.14 -1.14 -0.09 0.00 -0.02 0.00 0.00 31.44 30.33 1f8i n GLU 304 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1f8i n TYR 305 N -1.73 -0.31 -0.33 -0.32 4.01 -0.60 -5.01 117.16 112.87 1f8i n TYR 305 Ca -0.02 -3.49 0.19 0.00 -0.16 0.00 0.00 57.90 54.43 1f8i n TYR 305 Cb 0.18 -0.03 0.39 0.00 -0.31 0.00 0.00 39.34 39.57 1f8i n TYR 305 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1f8i h PRO 306 N 5.00 0.36 -0.15 -0.72 0.11 -1.54 -0.79 132.00 134.27 1f8i h PRO 306 Ca 0.19 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1f8i h PRO 306 Cb 0.88 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1f8i h PRO 306 CO 0.44 0.24 0.00 -0.25 -0.21 0.00 0.00 178.00 178.22 1f8i n ASP 307 N -5.05 1.75 -4.64 -2.05 8.00 -1.26 -4.90 116.55 108.40 1f8i n ASP 307 Ca 0.27 -1.69 -0.43 0.00 0.71 0.00 0.00 54.79 53.65 1f8i n ASP 307 Cb 0.82 -0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.80 1f8i n ASP 307 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1f8i s GLN 308 N -1.81 3.93 0.38 -1.24 2.00 -0.30 -4.98 119.66 117.63 1f8i s GLN 308 Ca 0.33 1.85 -0.18 0.00 -2.00 0.00 0.00 55.36 55.36 1f8i s GLN 308 Cb 0.18 -4.01 -0.10 0.00 0.80 0.00 0.00 33.01 29.88 1f8i s GLN 308 CO 0.28 -1.14 0.86 -1.64 -0.50 0.00 0.00 175.29 173.15 1f8i s MET 309 N 4.45 4.14 0.27 1.67 -1.94 -1.26 -4.91 119.30 121.72 1f8i s MET 309 Ca 0.72 0.93 0.10 0.00 -1.71 0.00 0.00 55.69 55.72 1f8i s MET 309 Cb -0.28 -2.30 -0.05 0.00 2.01 0.00 0.00 34.83 34.21 1f8i s MET 309 CO 0.29 0.06 -0.14 -0.51 -0.01 0.00 0.00 175.02 174.70 1f8i s LEU 310 N -3.07 2.59 0.08 -0.03 1.43 -0.57 -2.06 118.68 117.05 1f8i s LEU 310 Ca 0.58 -1.08 0.07 0.00 -1.03 0.00 0.00 54.13 52.67 1f8i s LEU 310 Cb -0.10 -0.90 -0.03 0.00 0.03 0.00 0.00 46.19 45.19 1f8i s LEU 310 CO 0.15 -0.12 -0.19 0.00 0.23 0.00 0.00 176.35 176.42 1f8i s ALA 311 N -2.72 1.63 -0.03 4.21 0.00 -0.47 -0.82 121.76 123.56 1f8i s ALA 311 Ca 0.28 -1.14 0.01 0.00 0.00 0.00 0.00 51.96 51.12 1f8i s ALA 311 Cb -0.01 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.89 1f8i s ALA 311 CO 0.13 0.32 -0.04 -0.47 0.00 0.00 0.00 175.76 175.70 1f8i s TYR 312 N -1.09 0.58 -0.50 0.00 6.14 -0.16 -4.33 117.35 117.99 1f8i s TYR 312 Ca 0.05 -0.13 -0.21 0.00 0.64 0.00 0.00 57.07 57.43 1f8i s TYR 312 Cb -0.10 -0.52 0.05 0.00 0.42 0.00 0.00 41.96 41.81 1f8i s TYR 312 CO 0.03 -0.13 0.70 1.21 0.64 0.00 0.00 175.55 178.00 1f8i s ASN 313 N 0.70 6.27 -1.26 4.32 2.47 -1.26 -2.55 114.94 123.62 1f8i s ASN 313 Ca -0.09 -0.69 -0.15 0.00 0.42 0.00 0.00 52.86 52.36 1f8i s ASN 313 Cb -0.12 -2.33 0.12 0.00 -1.45 0.00 0.00 41.25 37.48 1f8i s ASN 313 CO -0.00 -0.95 1.63 0.00 -3.72 0.00 0.00 177.10 174.05 1f8i s SER 315 N 3.31 7.03 0.00 0.00 0.15 -1.26 -4.27 113.70 118.65 1f8i s SER 315 Ca 0.47 2.22 0.22 0.00 0.70 0.00 0.00 55.95 59.56 1f8i s SER 315 Cb 0.02 -2.60 1.12 0.00 -1.71 0.00 0.00 66.02 62.85 1f8i s SER 315 CO 0.03 -0.44 1.69 -2.65 1.20 0.00 0.00 173.24 173.07 1f8i n PRO 316 N 2.97 0.36 0.00 5.44 -0.02 -1.26 -1.88 135.00 140.61 1f8i n PRO 316 Ca 0.06 0.07 0.13 0.00 -2.02 0.00 0.00 63.50 61.75 1f8i n PRO 316 Cb 0.44 -1.50 0.75 0.00 -0.02 0.00 0.00 33.50 33.18 1f8i n PRO 316 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1f8i n SER 317 N -1.25 0.00 -4.85 2.55 7.64 -1.26 -4.68 113.62 111.77 1f8i n SER 317 Ca 0.11 -0.57 -0.33 0.00 1.01 0.00 0.00 58.87 59.09 1f8i n SER 317 Cb 0.16 -0.11 -0.06 0.00 -1.01 0.00 0.00 64.21 63.19 1f8i n SER 317 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1f8i s PHE 318 N -2.21 3.42 -0.93 1.43 0.08 -0.79 -5.02 117.98 113.97 1f8i s PHE 318 Ca 0.35 0.29 -0.15 0.00 0.12 0.00 0.00 56.93 57.54 1f8i s PHE 318 Cb 0.18 -1.78 0.19 0.00 -0.57 0.00 0.00 43.02 41.04 1f8i s PHE 318 CO 0.35 0.60 0.98 1.21 -0.10 0.00 0.00 175.22 178.26 1f8i s ASN 319 N -1.85 6.82 0.13 1.36 3.04 -1.26 -4.94 114.94 118.24 1f8i s ASN 319 Ca 0.25 -2.62 -0.32 0.00 0.04 0.00 0.00 52.86 50.21 1f8i s ASN 319 Cb -0.12 -2.29 -0.09 0.00 -1.54 0.00 0.00 41.25 37.21 1f8i s ASN 319 CO 0.16 -0.71 1.55 -0.50 -3.04 0.00 0.00 177.10 174.57 1f8i h TRP 320 N 7.93 -1.60 0.00 0.43 4.06 -1.93 -1.46 115.95 123.38 1f8i h TRP 320 Ca 0.15 0.08 0.00 0.00 2.06 0.00 0.00 58.89 61.18 1f8i h TRP 320 Cb 1.00 0.75 0.00 0.00 -1.00 0.00 0.00 29.16 29.91 1f8i h TRP 320 CO 1.05 -0.49 0.00 1.63 -3.56 0.00 0.00 178.44 177.07 1f8i n LYS 321 N -5.39 0.05 0.16 0.49 5.02 -1.26 -0.91 118.16 116.32 1f8i n LYS 321 Ca -0.03 0.27 0.11 0.00 -2.02 0.00 0.00 58.31 56.64 1f8i n LYS 321 Cb 0.35 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 33.95 1f8i n LYS 321 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1f8i h LYS 322 N 0.00 0.00 0.00 1.97 3.64 -1.69 -3.37 116.57 117.12 1f8i h LYS 322 Ca 0.00 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.17 1f8i h LYS 322 Cb 0.16 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 1f8i h LYS 322 CO 0.00 0.02 -1.81 0.72 -2.27 0.00 0.00 179.45 176.12 1f8i n HIS 323 N -2.91 0.00 -4.28 1.91 8.25 -0.35 -5.06 115.22 112.78 1f8i n HIS 323 Ca 0.02 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.32 1f8i n HIS 323 Cb 0.55 -0.57 -0.10 0.00 1.12 0.00 0.00 29.99 30.99 1f8i n HIS 323 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1f8i s LEU 324 N -5.02 2.53 0.51 2.41 1.43 -0.09 -5.08 118.68 115.37 1f8i s LEU 324 Ca -0.08 -1.02 -0.00 0.00 -1.03 0.00 0.00 54.13 51.99 1f8i s LEU 324 Cb 0.04 -0.44 0.01 0.00 0.03 0.00 0.00 46.19 45.83 1f8i s LEU 324 CO 0.45 -0.29 0.74 1.51 0.23 0.00 0.00 176.35 178.99 1f8i s ASP 325 N -3.22 5.57 0.38 2.29 1.47 -1.26 -4.38 116.67 117.53 1f8i s ASP 325 Ca 0.19 0.21 0.07 0.00 1.18 0.00 0.00 52.55 54.21 1f8i s ASP 325 Cb 0.02 -1.29 0.81 0.00 -0.34 0.00 0.00 42.92 42.12 1f8i s ASP 325 CO 0.03 -0.92 1.99 0.44 0.68 0.00 0.00 175.17 177.38 1f8i h ASP 326 N 0.20 0.57 -0.24 2.11 3.32 -1.98 -1.39 116.42 119.01 1f8i h ASP 326 Ca -0.44 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1f8i h ASP 326 Cb 1.27 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 1f8i h ASP 326 CO 0.56 0.38 0.16 0.00 -1.72 0.00 0.00 179.24 178.62 1f8i h ALA 327 N 1.65 0.31 -0.33 3.45 0.00 -1.99 0.21 119.26 122.56 1f8i h ALA 327 Ca 0.27 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 1f8i h ALA 327 Cb 0.22 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1f8i h ALA 327 CO -0.08 -0.22 -0.23 1.15 0.00 0.00 0.00 179.25 179.87 1f8i h THR 328 N 0.33 1.29 -0.51 0.00 2.02 -1.85 -2.85 112.91 111.34 1f8i h THR 328 Ca 0.09 -1.38 0.07 0.00 0.77 0.00 0.00 66.41 65.96 1f8i h THR 328 Cb -0.04 1.46 -0.06 0.00 -1.74 0.00 0.00 68.15 67.78 1f8i h THR 328 CO -0.02 0.45 0.19 0.40 0.37 0.00 0.00 175.52 176.91 1f8i h ILE 329 N 0.50 0.84 -0.19 3.11 2.04 -1.03 0.30 117.51 123.08 1f8i h ILE 329 Ca 0.06 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 1f8i h ILE 329 Cb 0.79 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1f8i h ILE 329 CO 0.06 0.07 0.04 0.00 0.00 0.00 0.00 178.15 178.32 1f8i h ALA 330 N 1.33 1.72 -0.01 1.87 0.00 -0.86 -2.81 119.26 120.49 1f8i h ALA 330 Ca 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1f8i h ALA 330 Cb 0.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1f8i h ALA 330 CO -0.24 0.22 -0.42 0.36 0.00 0.00 0.00 179.25 179.17 1f8i n LYS 331 N -4.42 1.39 -0.18 0.00 2.85 -0.80 -4.72 118.16 112.27 1f8i n LYS 331 Ca -0.00 -0.96 -0.07 0.00 -1.05 0.00 0.00 58.31 56.23 1f8i n LYS 331 Cb 0.15 -1.41 -0.06 0.00 -0.65 0.00 0.00 35.03 33.06 1f8i n LYS 331 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 177.40 177.70 1f8i h PHE 332 N 2.27 -1.09 -0.73 5.58 3.57 -0.15 -0.73 116.94 125.66 1f8i h PHE 332 Ca 0.00 0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 1f8i h PHE 332 Cb 0.69 0.54 -0.04 0.00 2.79 0.00 0.00 35.95 39.93 1f8i h PHE 332 CO 0.00 -0.25 0.46 1.96 -2.23 0.00 0.00 178.31 178.25 1f8i h GLN 333 N -0.10 0.98 -0.98 1.11 4.20 -1.85 -1.96 115.11 116.52 1f8i h GLN 333 Ca 0.07 -0.08 0.03 0.00 0.06 0.00 0.00 58.65 58.74 1f8i h GLN 333 Cb 0.29 -0.21 -0.06 0.00 0.30 0.00 0.00 27.48 27.80 1f8i h GLN 333 CO -0.48 0.68 0.64 -0.22 -0.67 0.00 0.00 178.83 178.79 1f8i h LYS 334 N 1.00 1.21 -0.45 1.46 3.64 -1.73 -0.40 116.57 121.30 1f8i h LYS 334 Ca 0.27 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.48 1f8i h LYS 334 Cb -0.06 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.47 1f8i h LYS 334 CO -0.05 0.80 -0.09 0.93 -2.27 0.00 0.00 179.45 178.77 1f8i h GLU 335 N 1.25 0.85 -0.81 1.90 4.39 -0.81 -1.97 114.58 119.38 1f8i h GLU 335 Ca 0.39 -0.32 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 1f8i h GLU 335 Cb -0.02 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.54 1f8i h GLU 335 CO -0.12 0.95 0.49 -0.07 -1.16 0.00 0.00 179.01 179.11 1f8i h LEU 336 N 0.69 0.97 -0.88 1.33 3.38 -0.74 -1.66 115.31 118.40 1f8i h LEU 336 Ca 0.12 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1f8i h LEU 336 Cb 0.62 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 1f8i h LEU 336 CO 0.04 0.75 0.50 0.00 0.09 0.00 0.00 178.44 179.81 1f8i h ALA 337 N 1.27 1.13 0.00 1.53 0.00 -0.91 -0.28 119.26 121.98 1f8i h ALA 337 Ca 0.29 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1f8i h ALA 337 Cb -0.05 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.39 1f8i h ALA 337 CO -0.06 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.82 1f8i h ALA 338 N 1.27 1.00 -0.38 0.00 0.00 -0.53 -2.31 119.26 118.30 1f8i h ALA 338 Ca 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1f8i h ALA 338 Cb 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1f8i h ALA 338 CO -0.05 0.00 0.01 -1.33 0.00 0.00 0.00 179.25 177.87 1f8i n MET 339 N -2.74 3.62 -0.29 0.00 2.81 -0.19 -4.96 117.12 115.37 1f8i n MET 339 Ca -0.01 -2.97 0.00 0.00 -1.81 0.00 0.00 57.70 52.91 1f8i n MET 339 Cb 0.15 -2.01 0.00 0.00 -0.71 0.00 0.00 33.22 30.65 1f8i n MET 339 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1f8i n GLY 340 N -0.12 0.72 3.51 3.03 0.00 -0.87 -4.86 105.19 106.60 1f8i n GLY 340 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 1f8i n GLY 340 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1f8i s PHE 341 N -2.63 2.88 -0.81 1.61 0.08 -0.74 -1.51 117.98 116.86 1f8i s PHE 341 Ca 0.00 -1.24 0.27 0.00 0.12 0.00 0.00 56.93 56.07 1f8i s PHE 341 Cb 0.00 -4.49 0.83 0.00 -0.57 0.00 0.00 43.02 38.79 1f8i s PHE 341 CO 0.00 -1.69 1.72 1.63 -0.10 0.00 0.00 175.22 176.78 1f8i n LYS 342 N 7.59 0.17 -3.91 0.44 4.76 -0.00 -3.92 118.16 123.29 1f8i n LYS 342 Ca 0.31 0.12 -0.30 0.00 -2.87 0.00 0.00 58.31 55.57 1f8i n LYS 342 Cb 0.49 -1.68 -0.16 0.00 -1.84 0.00 0.00 35.03 31.85 1f8i n LYS 342 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 1f8i s PHE 343 N -3.07 2.07 -0.00 2.13 5.36 -1.13 0.22 117.98 123.55 1f8i s PHE 343 Ca 0.11 -1.47 0.08 0.00 -0.96 0.00 0.00 56.93 54.68 1f8i s PHE 343 Cb 0.15 -1.46 -0.02 0.00 -0.34 0.00 0.00 43.02 41.35 1f8i s PHE 343 CO 0.61 -0.72 -0.24 -0.65 -1.46 0.00 0.00 175.22 172.76 1f8i s GLN 344 N 1.51 1.87 -0.03 10.12 -0.21 0.21 -0.98 119.66 132.14 1f8i s GLN 344 Ca -0.03 -0.90 -0.18 0.00 0.02 0.00 0.00 55.36 54.27 1f8i s GLN 344 Cb -0.18 -1.85 0.03 0.00 1.00 0.00 0.00 33.01 32.01 1f8i s GLN 344 CO -0.07 0.50 0.38 -0.59 -2.12 0.00 0.00 175.29 173.39 1f8i s PHE 345 N -0.62 -0.28 -0.60 0.91 -0.71 -1.06 -0.75 117.98 114.88 1f8i s PHE 345 Ca 0.09 0.46 -0.13 0.00 -1.04 0.00 0.00 56.93 56.32 1f8i s PHE 345 Cb -0.09 0.15 0.15 0.00 -1.21 0.00 0.00 43.02 42.02 1f8i s PHE 345 CO -0.00 -0.42 0.52 0.42 -1.34 0.00 0.00 175.22 174.40 1f8i s ILE 346 N -1.22 4.94 0.18 -4.49 1.01 -0.62 -1.16 121.20 119.84 1f8i s ILE 346 Ca -0.12 -1.92 -0.24 0.00 0.00 0.00 0.00 60.65 58.37 1f8i s ILE 346 Cb -0.04 -4.16 0.07 0.00 0.01 0.00 0.00 42.46 38.34 1f8i s ILE 346 CO 0.05 -0.89 1.57 0.71 0.00 0.00 0.00 174.94 176.38 1f8i h THR 347 N 5.64 0.08 -0.71 2.92 1.35 -1.88 -1.53 112.91 118.77 1f8i h THR 347 Ca -0.16 0.00 -0.22 0.00 -0.55 0.00 0.00 66.41 65.48 1f8i h THR 347 Cb 1.07 0.08 -0.13 0.00 -1.73 0.00 0.00 68.15 67.43 1f8i h THR 347 CO 0.90 0.00 0.28 0.18 -0.25 0.00 0.00 175.52 176.63 1f8i n LEU 348 N -5.41 5.89 -0.21 3.87 4.77 -1.26 -3.88 117.00 120.77 1f8i n LEU 348 Ca 0.03 -3.07 0.00 0.00 -0.03 0.00 0.00 56.01 52.95 1f8i n LEU 348 Cb 0.35 -0.74 0.11 0.00 -2.33 0.00 0.00 43.42 40.82 1f8i n LEU 348 CO -0.04 0.79 1.01 0.00 -1.33 0.00 0.00 177.39 177.82 1f8i h ALA 349 N 2.60 0.84 0.06 -1.18 0.00 -1.73 -2.08 119.26 117.75 1f8i h ALA 349 Ca 0.27 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 1f8i h ALA 349 Cb 2.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 20.08 1f8i h ALA 349 CO 0.72 -0.14 -0.03 0.78 0.00 0.00 0.00 179.25 180.58 1f8i h GLY 350 N 0.47 -0.08 0.14 0.00 0.00 -1.74 0.07 103.07 101.93 1f8i h GLY 350 Ca 0.32 0.03 0.12 0.00 0.00 0.00 0.00 47.33 47.79 1f8i h GLY 350 CO -0.29 -0.03 0.10 -2.75 0.00 0.00 0.00 176.54 173.58 1f8i h PHE 351 N -0.27 0.16 -0.32 5.60 3.57 -1.80 0.93 116.94 124.81 1f8i h PHE 351 Ca -0.01 0.04 -0.15 0.00 3.53 0.00 0.00 57.97 61.38 1f8i h PHE 351 Cb 0.24 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 1f8i h PHE 351 CO -0.01 -0.06 -0.37 0.45 -2.23 0.00 0.00 178.31 176.09 1f8i h HIS 352 N 0.23 0.99 -0.55 0.41 3.86 -1.27 -0.94 115.15 117.89 1f8i h HIS 352 Ca 0.31 -0.31 -0.09 0.00 -1.16 0.00 0.00 60.37 59.12 1f8i h HIS 352 Cb 0.48 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.72 1f8i h HIS 352 CO -0.27 1.11 -0.02 0.00 0.86 0.00 0.00 177.93 179.61 1f8i h ALA 353 N 0.72 0.93 -0.04 2.45 0.00 -0.52 -0.77 119.26 122.03 1f8i h ALA 353 Ca 0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1f8i h ALA 353 Cb 0.96 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1f8i h ALA 353 CO 0.09 0.64 -0.06 1.25 0.00 0.00 0.00 179.25 181.17 1f8i h LEU 354 N 0.88 0.12 -0.39 0.00 6.46 -0.82 -2.34 115.31 119.22 1f8i h LEU 354 Ca 0.16 -0.54 -0.09 0.00 -0.12 0.00 0.00 57.88 57.29 1f8i h LEU 354 Cb 0.54 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.42 1f8i h LEU 354 CO 0.03 0.63 -0.11 0.78 -0.62 0.00 0.00 178.44 179.16 1f8i h ASN 355 N -0.39 0.76 0.30 1.25 2.35 -1.16 -2.71 115.58 115.98 1f8i h ASN 355 Ca 0.00 -0.37 -0.01 0.00 -0.55 0.00 0.00 56.30 55.37 1f8i h ASN 355 Cb 0.61 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.77 1f8i h ASN 355 CO 0.01 0.96 -0.15 0.22 -1.65 0.00 0.00 177.43 176.83 1f8i h TYR 356 N 0.56 -0.38 -0.83 1.19 3.20 -1.23 -1.06 116.97 118.42 1f8i h TYR 356 Ca 0.10 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.06 1f8i h TYR 356 Cb 0.63 0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.97 1f8i h TYR 356 CO 0.05 -0.07 0.54 0.66 -1.64 0.00 0.00 178.16 177.70 1f8i h SER 357 N -0.70 0.68 0.64 -2.11 4.64 -1.51 0.27 113.55 115.47 1f8i h SER 357 Ca -0.04 0.02 -0.23 0.00 -0.47 0.00 0.00 61.79 61.07 1f8i h SER 357 Cb 0.48 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 1f8i h SER 357 CO 0.07 0.40 -1.05 -0.03 -0.87 0.00 0.00 176.83 175.34 1f8i h MET 358 N 0.75 0.22 -0.02 4.77 1.85 -1.46 -1.83 114.93 119.21 1f8i h MET 358 Ca 0.39 -0.31 -0.00 0.00 -0.61 0.00 0.00 59.70 59.16 1f8i h MET 358 Cb 0.48 0.11 -0.00 0.00 0.43 0.00 0.00 31.60 32.62 1f8i h MET 358 CO -0.16 1.09 0.00 0.35 -0.40 0.00 0.00 176.91 177.80 1f8i h PHE 359 N 0.09 0.03 -0.54 1.39 3.57 -0.06 -0.33 116.94 121.10 1f8i h PHE 359 Ca -0.08 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.48 1f8i h PHE 359 Cb 1.75 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 40.42 1f8i h PHE 359 CO 0.04 0.27 0.24 0.22 -2.23 0.00 0.00 178.31 176.85 1f8i h ASP 360 N -0.21 0.29 -0.01 0.41 3.58 -0.56 0.13 116.42 120.05 1f8i h ASP 360 Ca 0.01 0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.50 1f8i h ASP 360 Cb 0.26 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.31 1f8i h ASP 360 CO 0.00 0.20 -0.00 0.25 -2.88 0.00 0.00 179.24 176.81 1f8i h LEU 361 N 0.45 0.01 -0.78 2.28 5.85 -1.25 -2.35 115.31 119.51 1f8i h LEU 361 Ca 0.25 -0.34 0.03 0.00 0.84 0.00 0.00 57.88 58.66 1f8i h LEU 361 Cb 0.23 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 1f8i h LEU 361 CO -0.22 0.35 0.50 0.00 -0.34 0.00 0.00 178.44 178.73 1f8i h ALA 362 N 0.66 1.02 0.33 1.25 0.00 -0.82 0.11 119.26 121.81 1f8i h ALA 362 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1f8i h ALA 362 Cb 0.35 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1f8i h ALA 362 CO 0.00 0.32 -0.16 -0.92 0.00 0.00 0.00 179.25 178.49 1f8i h TYR 363 N 0.98 -0.41 -0.52 0.00 3.20 -0.73 0.95 116.97 120.44 1f8i h TYR 363 Ca 0.31 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.16 1f8i h TYR 363 Cb 0.00 0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 1f8i h TYR 363 CO -0.03 -0.25 0.29 0.78 -1.64 0.00 0.00 178.16 177.31 1f8i h GLY 364 N -0.44 0.76 1.29 1.82 0.00 -1.09 -1.92 103.07 103.49 1f8i h GLY 364 Ca -0.04 -0.32 -0.10 0.00 0.00 0.00 0.00 47.33 46.86 1f8i h GLY 364 CO 0.07 0.31 -0.13 -1.82 0.00 0.00 0.00 176.54 174.98 1f8i h TYR 365 N 0.73 0.92 -0.66 5.60 3.20 -0.39 0.29 116.97 126.66 1f8i h TYR 365 Ca 0.19 -0.18 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 1f8i h TYR 365 Cb 0.01 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.02 1f8i h TYR 365 CO 0.00 0.91 0.26 0.00 -1.64 0.00 0.00 178.16 177.69 1f8i h ALA 366 N 1.11 1.21 0.15 1.82 0.00 -0.03 0.13 119.26 123.64 1f8i h ALA 366 Ca 0.12 -0.17 -0.35 0.00 0.00 0.00 0.00 54.91 54.51 1f8i h ALA 366 Cb 0.63 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1f8i h ALA 366 CO 0.04 0.57 -1.81 1.96 0.00 0.00 0.00 179.25 180.01 1f8i h GLN 367 N 0.95 0.31 0.00 0.00 1.08 -1.18 -3.41 115.11 112.86 1f8i h GLN 367 Ca 0.22 -0.53 0.00 0.00 -1.45 0.00 0.00 58.65 56.89 1f8i h GLN 367 Cb 0.19 0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 1f8i h GLN 367 CO -0.02 1.25 -0.03 0.09 -0.95 0.00 0.00 178.83 179.18 1f8i n ASN 368 N -3.61 1.92 0.00 1.46 5.03 0.98 -5.09 115.26 115.95 1f8i n ASN 368 Ca -0.28 -2.42 0.00 0.00 0.87 0.00 0.00 54.58 52.74 1f8i n ASN 368 Cb 1.03 -0.20 0.00 0.00 -1.02 0.00 0.00 39.78 39.59 1f8i n ASN 368 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1f8i n GLN 369 N -0.86 0.00 -0.23 3.52 3.00 0.44 -1.82 117.38 121.43 1f8i n GLN 369 Ca 0.07 0.00 0.26 0.00 -0.01 0.00 0.00 57.00 57.32 1f8i n GLN 369 Cb 0.46 0.00 0.64 0.00 0.00 0.00 0.00 30.24 31.35 1f8i n GLN 369 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.06 177.58 1f8i h MET 370 N 0.00 0.15 -0.99 -1.09 2.86 -1.93 -2.18 114.93 111.75 1f8i h MET 370 Ca 0.00 -0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.71 1f8i h MET 370 Cb 0.00 -0.03 -0.07 0.00 0.06 0.00 0.00 31.60 31.56 1f8i h MET 370 CO 0.00 0.10 0.63 0.77 1.06 0.00 0.00 176.91 179.47 1f8i h SER 371 N 0.15 0.99 -0.39 1.22 0.02 -1.73 -0.36 113.55 113.45 1f8i h SER 371 Ca 0.47 0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 61.35 1f8i h SER 371 Cb 1.59 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.92 1f8i h SER 371 CO -0.09 0.61 -0.06 0.00 -1.14 0.00 0.00 176.83 176.15 1f8i h ALA 372 N 1.46 1.02 -0.13 3.77 0.00 -1.54 -2.56 119.26 121.28 1f8i h ALA 372 Ca 0.44 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 1f8i h ALA 372 Cb 0.23 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1f8i h ALA 372 CO -0.19 0.60 -0.51 -0.92 0.00 0.00 0.00 179.25 178.22 1f8i h TYR 373 N 0.74 0.77 -0.63 0.00 3.20 -1.38 -3.17 116.97 116.51 1f8i h TYR 373 Ca 0.13 -0.33 0.10 0.00 3.14 0.00 0.00 58.73 61.78 1f8i h TYR 373 Cb 0.54 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.65 1f8i h TYR 373 CO 0.03 1.11 0.42 0.28 -1.64 0.00 0.00 178.16 178.35 1f8i h VAL 374 N 0.22 0.90 -0.78 1.81 2.07 -1.02 0.15 116.25 119.60 1f8i h VAL 374 Ca -0.03 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 1f8i h VAL 374 Cb 1.15 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 1f8i h VAL 374 CO 0.11 0.08 0.35 -0.33 0.02 0.00 0.00 177.57 177.80 1f8i h GLU 375 N 0.44 1.13 -0.05 1.57 5.08 -1.43 0.02 114.58 121.34 1f8i h GLU 375 Ca 0.29 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1f8i h GLU 375 Cb 0.55 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 1f8i h GLU 375 CO -0.08 0.89 -0.00 1.25 -1.00 0.00 0.00 179.01 180.07 1f8i h LEU 376 N 1.10 0.09 -1.08 1.33 5.85 -1.02 -1.53 115.31 120.05 1f8i h LEU 376 Ca 0.26 -0.32 0.09 0.00 0.84 0.00 0.00 57.88 58.75 1f8i h LEU 376 Cb 0.15 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.09 1f8i h LEU 376 CO -0.03 0.39 0.62 -0.61 -0.34 0.00 0.00 178.44 178.47 1f8i h GLN 377 N -0.21 1.01 -0.10 1.25 4.15 -1.00 0.36 115.11 120.56 1f8i h GLN 377 Ca 0.01 -0.06 -0.11 0.00 0.77 0.00 0.00 58.65 59.27 1f8i h GLN 377 Cb 0.34 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 1f8i h GLN 377 CO 0.00 0.67 -0.41 0.93 -1.93 0.00 0.00 178.83 178.09 1f8i h GLU 378 N 1.04 0.23 -0.22 1.69 4.39 -0.84 -1.01 114.58 119.86 1f8i h GLU 378 Ca 0.44 -0.11 -0.15 0.00 0.34 0.00 0.00 59.36 59.88 1f8i h GLU 378 Cb 0.31 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1f8i h GLU 378 CO -0.19 0.60 -0.47 0.00 -1.16 0.00 0.00 179.01 177.80 1f8i h ARG 379 N 0.19 0.57 -0.10 2.33 3.08 -0.01 -1.28 114.38 119.16 1f8i h ARG 379 Ca 0.02 -0.32 -0.00 0.00 0.07 0.00 0.00 59.98 59.74 1f8i h ARG 379 Cb 0.81 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.88 1f8i h ARG 379 CO 0.06 0.92 0.05 0.93 -1.07 0.00 0.00 179.97 180.87 1f8i h GLU 380 N 0.46 0.15 -0.42 0.04 5.08 -0.55 0.70 114.58 120.04 1f8i h GLU 380 Ca 0.03 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1f8i h GLU 380 Cb 0.99 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.17 1f8i h GLU 380 CO 0.09 0.19 0.16 0.74 -1.00 0.00 0.00 179.01 179.19 1f8i h PHE 381 N 0.06 0.28 -0.24 4.33 0.04 -1.05 -1.83 116.94 118.53 1f8i h PHE 381 Ca 0.04 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.80 1f8i h PHE 381 Cb 0.09 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 1f8i h PHE 381 CO -0.04 0.11 0.05 0.00 -0.60 0.00 0.00 178.31 177.83 1f8i h ALA 382 N 1.26 1.64 0.00 2.45 0.00 -0.82 -1.61 119.26 122.18 1f8i h ALA 382 Ca 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1f8i h ALA 382 Cb 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1f8i h ALA 382 CO -0.19 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.34 1f8i n ALA 383 N -2.49 2.06 0.24 0.00 0.00 0.20 -3.39 120.51 117.13 1f8i n ALA 383 Ca 0.01 -0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.45 1f8i n ALA 383 Cb 0.16 -1.37 0.64 0.00 0.00 0.00 0.00 19.45 18.88 1f8i n ALA 383 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1f8i h GLU 384 N 0.00 0.01 0.00 0.00 5.08 -1.01 0.11 114.58 118.77 1f8i h GLU 384 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1f8i h GLU 384 Cb 0.37 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1f8i h GLU 384 CO 0.00 0.01 0.00 -0.85 -1.00 0.00 0.00 179.01 177.17 1f8i n GLU 385 N -4.53 0.21 0.00 2.33 0.28 -1.22 -1.65 120.64 116.07 1f8i n GLU 385 Ca -0.02 0.37 0.12 0.00 -0.16 0.00 0.00 57.16 57.47 1f8i n GLU 385 Cb 0.13 -1.86 0.28 0.00 1.43 0.00 0.00 31.44 31.42 1f8i n GLU 385 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1f8i n ARG 386 N -2.25 0.86 0.00 3.44 1.74 0.34 -4.93 116.66 115.86 1f8i n ARG 386 Ca 0.03 -0.56 0.00 0.00 -0.77 0.00 0.00 57.85 56.55 1f8i n ARG 386 Cb 0.28 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 1f8i n ARG 386 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1f8i n GLY 387 N 1.37 1.13 3.72 -0.13 0.00 -0.66 -5.01 105.19 105.61 1f8i n GLY 387 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 1f8i n GLY 387 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1f8i n TYR 388 N -0.47 2.50 -0.20 1.61 9.36 -1.02 -4.90 117.16 124.05 1f8i n TYR 388 Ca 0.00 0.45 0.00 0.00 3.32 0.00 0.00 57.90 61.67 1f8i n TYR 388 Cb 0.00 -2.48 0.00 0.00 -0.63 0.00 0.00 39.34 36.23 1f8i n TYR 388 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1f8i n THR 389 N 1.08 0.00 0.59 2.97 -2.24 -1.26 -4.28 114.28 111.14 1f8i n THR 389 Ca 0.06 -0.19 0.07 0.00 -2.27 0.00 0.00 64.05 61.72 1f8i n THR 389 Cb 0.36 1.20 0.33 0.00 -2.10 0.00 0.00 70.33 70.11 1f8i n THR 389 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1f8i n ALA 390 N -0.26 1.74 -0.01 6.98 0.00 -1.26 -2.75 120.51 124.94 1f8i n ALA 390 Ca 0.00 -0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.42 1f8i n ALA 390 Cb 0.05 -1.23 0.41 0.00 0.00 0.00 0.00 19.45 18.68 1f8i n ALA 390 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1f8i h THR 391 N 0.00 1.12 -3.14 0.00 2.02 -1.89 -2.80 112.91 108.22 1f8i h THR 391 Ca 0.00 -0.23 -0.78 0.00 0.77 0.00 0.00 66.41 66.17 1f8i h THR 391 Cb 0.17 0.50 -0.24 0.00 -1.74 0.00 0.00 68.15 66.84 1f8i h THR 391 CO 0.00 0.12 0.70 -0.54 0.37 0.00 0.00 175.52 176.17 1f8i s LYS 392 N -5.49 4.11 0.47 6.66 1.02 -1.11 -4.87 119.74 120.53 1f8i s LYS 392 Ca -0.08 -2.93 0.12 0.00 0.02 0.00 0.00 55.97 53.10 1f8i s LYS 392 Cb 0.17 -4.71 1.09 0.00 -0.52 0.00 0.00 37.83 33.87 1f8i s LYS 392 CO 0.74 -1.42 2.10 1.12 -0.92 0.00 0.00 175.35 176.97 1f8i h HIS 393 N 6.96 0.24 0.91 3.18 2.07 -1.75 -2.39 115.15 124.36 1f8i h HIS 393 Ca 0.21 0.01 -0.04 0.00 -2.85 0.00 0.00 60.37 57.69 1f8i h HIS 393 Cb 0.89 -0.08 0.01 0.00 2.57 0.00 0.00 27.41 30.80 1f8i h HIS 393 CO 0.89 0.15 -0.44 1.96 -3.07 0.00 0.00 177.93 177.42 1f8i h GLN 394 N 0.25 -1.18 -0.52 5.12 1.08 -1.90 -2.10 115.11 115.87 1f8i h GLN 394 Ca 0.08 0.08 -0.07 0.00 -1.45 0.00 0.00 58.65 57.29 1f8i h GLN 394 Cb 0.03 0.27 -0.02 0.00 -0.05 0.00 0.00 27.48 27.70 1f8i h GLN 394 CO -0.02 -0.79 0.04 0.07 -0.95 0.00 0.00 178.83 177.19 1f8i h ARG 395 N -1.23 0.84 -0.62 1.46 0.11 -1.94 -1.73 114.38 111.28 1f8i h ARG 395 Ca -0.13 -0.21 0.18 0.00 0.10 0.00 0.00 59.98 59.92 1f8i h ARG 395 Cb 0.94 -0.10 -0.03 0.00 1.11 0.00 0.00 29.97 31.89 1f8i h ARG 395 CO 0.21 0.82 0.44 1.49 0.10 0.00 0.00 179.97 183.02 1f8i h GLU 396 N 0.79 0.02 -0.61 0.08 4.57 -1.25 0.47 114.58 118.65 1f8i h GLU 396 Ca 0.16 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 1f8i h GLU 396 Cb 0.42 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 1f8i h GLU 396 CO 0.01 0.01 0.00 1.55 -1.18 0.00 0.00 179.01 179.40 1f8i n VAL 397 N -4.36 1.13 -0.07 0.32 3.14 -0.80 -4.93 118.33 112.76 1f8i n VAL 397 Ca 0.12 -1.04 0.00 0.00 -2.96 0.00 0.00 64.34 60.45 1f8i n VAL 397 Cb 0.68 0.44 0.00 0.00 -1.06 0.00 0.00 33.84 33.90 1f8i n VAL 397 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1f8i n GLY 398 N 1.24 0.91 0.37 7.55 0.00 0.16 -4.98 105.19 110.44 1f8i n GLY 398 Ca 0.21 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.34 1f8i n GLY 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f8i h ALA 399 N 0.00 1.72 -0.11 4.61 0.00 -1.48 0.13 119.26 124.13 1f8i h ALA 399 Ca 0.00 0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.75 1f8i h ALA 399 Cb 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1f8i h ALA 399 CO 0.00 0.00 -0.73 0.78 0.00 0.00 0.00 179.25 179.31 1f8i h GLY 400 N 0.79 0.59 0.82 0.00 0.00 -1.81 -2.21 103.07 101.26 1f8i h GLY 400 Ca 0.50 -0.82 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 1f8i h GLY 400 CO -0.27 0.73 0.03 -1.82 0.00 0.00 0.00 176.54 175.21 1f8i h TYR 401 N 0.37 0.30 0.00 5.60 3.20 -1.35 -2.15 116.97 122.94 1f8i h TYR 401 Ca -0.03 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.74 1f8i h TYR 401 Cb 1.32 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.50 1f8i h TYR 401 CO 0.06 0.45 -0.26 0.74 -1.64 0.00 0.00 178.16 177.50 1f8i h PHE 402 N 0.06 0.00 -0.43 -3.82 -1.00 -0.87 -1.50 116.94 109.37 1f8i h PHE 402 Ca 0.05 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.75 1f8i h PHE 402 Cb 0.31 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.85 1f8i h PHE 402 CO 0.02 0.26 -0.08 -0.44 -1.61 0.00 0.00 178.31 176.46 1f8i h ASP 403 N 0.00 0.74 -0.36 2.17 3.32 -1.16 0.14 116.42 121.28 1f8i h ASP 403 Ca -0.00 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 56.81 1f8i h ASP 403 Cb 0.66 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 1f8i h ASP 403 CO 0.03 0.86 0.09 -0.09 -1.72 0.00 0.00 179.24 178.41 1f8i h ARG 404 N 0.69 0.57 -0.42 3.56 9.65 -0.64 0.41 114.38 128.19 1f8i h ARG 404 Ca 0.12 -0.13 -0.01 0.00 -1.10 0.00 0.00 59.98 58.86 1f8i h ARG 404 Cb 0.54 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.03 1f8i h ARG 404 CO 0.03 0.61 0.22 0.82 2.80 0.00 0.00 179.97 184.46 1f8i h ILE 405 N 0.42 1.16 -0.81 1.20 2.04 -0.94 -0.66 117.51 119.93 1f8i h ILE 405 Ca 0.11 -0.43 0.03 0.00 1.00 0.00 0.00 64.86 65.56 1f8i h ILE 405 Cb 0.29 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 1f8i h ILE 405 CO 0.00 0.17 0.53 0.00 0.00 0.00 0.00 178.15 178.85 1f8i h ALA 406 N 1.07 1.06 0.00 1.87 0.00 -0.27 -1.55 119.26 121.45 1f8i h ALA 406 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1f8i h ALA 406 Cb 0.07 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1f8i h ALA 406 CO -0.02 0.37 0.00 1.79 0.00 0.00 0.00 179.25 181.38 1f8i h THR 407 N 1.03 0.00 0.02 0.00 1.35 -0.73 -0.56 112.91 114.03 1f8i h THR 407 Ca 0.32 -0.74 -0.27 0.00 -0.55 0.00 0.00 66.41 65.17 1f8i h THR 407 Cb -0.02 1.72 0.02 0.00 -1.73 0.00 0.00 68.15 68.14 1f8i h THR 407 CO -0.10 0.00 -1.07 0.74 -0.25 0.00 0.00 175.52 174.84 1f8i h THR 408 N 0.00 1.31 -0.10 6.82 2.02 -0.34 -1.84 112.91 120.78 1f8i h THR 408 Ca 0.00 -2.34 -0.13 0.00 0.77 0.00 0.00 66.41 64.71 1f8i h THR 408 Cb 0.82 2.45 0.01 0.00 -1.74 0.00 0.00 68.15 69.69 1f8i h THR 408 CO 0.00 0.72 -0.45 0.58 0.37 0.00 0.00 175.52 176.74 1f8i h VAL 409 N 0.34 1.38 -2.28 3.16 2.07 -1.22 -3.42 116.25 116.28 1f8i h VAL 409 Ca -0.13 -1.79 -0.39 0.00 0.82 0.00 0.00 66.70 65.21 1f8i h VAL 409 Cb 1.72 2.22 -0.35 0.00 -1.52 0.00 0.00 31.29 33.36 1f8i h VAL 409 CO 0.20 0.53 -0.69 -0.62 0.02 0.00 0.00 177.57 177.02 1f8i s ASP 410 N -6.59 2.08 0.58 0.57 2.15 -0.23 -5.01 116.67 110.22 1f8i s ASP 410 Ca -0.13 -1.08 0.29 0.00 0.43 0.00 0.00 52.55 52.05 1f8i s ASP 410 Cb 0.05 0.28 1.77 0.00 -0.30 0.00 0.00 42.92 44.72 1f8i s ASP 410 CO 0.81 -0.38 2.24 1.55 -0.17 0.00 0.00 175.17 179.23 1f8i h PRO 411 N 8.03 0.00 -0.70 4.34 0.13 -1.55 -1.90 132.00 140.37 1f8i h PRO 411 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1f8i h PRO 411 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1f8i h PRO 411 CO 0.33 0.01 0.00 0.09 -0.23 0.00 0.00 178.00 178.20 1f8i n ASN 412 N -3.89 3.95 -4.71 1.44 3.02 -1.26 -4.94 115.26 108.86 1f8i n ASN 412 Ca -0.03 -2.54 -0.42 0.00 -0.03 0.00 0.00 54.58 51.56 1f8i n ASN 412 Cb 0.09 -0.59 -0.03 0.00 -0.61 0.00 0.00 39.78 38.64 1f8i n ASN 412 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1f8i s SER 413 N -0.57 6.54 -0.07 6.41 0.15 -0.71 -4.90 113.70 120.56 1f8i s SER 413 Ca 0.36 2.66 0.16 0.00 0.70 0.00 0.00 55.95 59.82 1f8i s SER 413 Cb 0.26 -2.59 0.57 0.00 -1.71 0.00 0.00 66.02 62.55 1f8i s SER 413 CO 0.12 -0.87 1.46 -1.54 1.20 0.00 0.00 173.24 173.61 1f8i n SER 414 N 4.23 3.74 -0.72 5.45 3.41 -1.26 -4.31 113.62 124.16 1f8i n SER 414 Ca 0.15 -2.26 0.04 0.00 -0.26 0.00 0.00 58.87 56.54 1f8i n SER 414 Cb 0.38 -0.49 0.19 0.00 -0.26 0.00 0.00 64.21 64.04 1f8i n SER 414 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1f8i n THR 415 N 0.98 2.16 -1.33 6.66 -2.24 -1.26 -5.06 114.28 114.20 1f8i n THR 415 Ca 0.21 -3.24 -0.31 0.00 -2.27 0.00 0.00 64.05 58.44 1f8i n THR 415 Cb 0.68 -0.25 0.09 0.00 -2.10 0.00 0.00 70.33 68.74 1f8i n THR 415 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1f8i s THR 416 N -3.23 3.39 -0.20 4.28 -4.23 -1.26 -5.03 115.64 109.36 1f8i s THR 416 Ca 0.39 0.45 -0.18 0.00 -1.18 0.00 0.00 61.69 61.16 1f8i s THR 416 Cb 0.37 -3.00 -0.15 0.00 1.34 0.00 0.00 72.50 71.06 1f8i s THR 416 CO -0.07 -0.59 0.07 0.00 -0.54 0.00 0.00 174.62 173.50 1f8i n ALA 417 N -3.48 0.75 -0.23 3.99 0.00 -1.26 -4.64 120.51 115.64 1f8i n ALA 417 Ca 0.08 -0.53 -0.05 0.00 0.00 0.00 0.00 53.44 52.94 1f8i n ALA 417 Cb 0.53 -0.37 0.10 0.00 0.00 0.00 0.00 19.45 19.71 1f8i n ALA 417 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1f8i h LEU 418 N -1.00 0.99 -9.27 0.00 3.38 -1.96 -3.37 115.31 104.09 1f8i h LEU 418 Ca -0.30 -0.19 -0.54 0.00 0.09 0.00 0.00 57.88 56.94 1f8i h LEU 418 Cb 1.16 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1f8i h LEU 418 CO -0.18 0.93 1.18 -0.89 0.09 0.00 0.00 178.44 179.57 1f8i s THR 419 N -5.34 3.32 0.00 0.22 2.01 -1.26 -1.29 115.64 113.30 1f8i s THR 419 Ca -0.11 0.38 0.00 0.00 0.31 0.00 0.00 61.69 62.27 1f8i s THR 419 Cb 0.15 -3.26 0.00 0.00 0.01 0.00 0.00 72.50 69.40 1f8i s THR 419 CO 0.83 -0.05 0.00 0.61 -0.69 0.00 0.00 174.62 175.32 1f8i n GLY 420 N 4.45 0.92 3.81 4.40 0.00 -1.26 -4.99 105.19 112.50 1f8i n GLY 420 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1f8i n GLY 420 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1f8i s SER 421 N -2.97 5.08 0.40 1.61 1.04 -0.41 -4.94 113.70 113.51 1f8i s SER 421 Ca 0.00 1.63 0.21 0.00 0.48 0.00 0.00 55.95 58.27 1f8i s SER 421 Cb 0.00 -2.45 0.72 0.00 0.10 0.00 0.00 66.02 64.39 1f8i s SER 421 CO 0.00 -1.63 1.74 0.71 0.98 0.00 0.00 173.24 175.04 1f8i h THR 422 N -0.85 0.67 -0.61 2.02 1.35 -1.94 -2.74 112.91 110.81 1f8i h THR 422 Ca -0.44 -1.38 -0.08 0.00 -0.55 0.00 0.00 66.41 63.95 1f8i h THR 422 Cb 1.22 1.91 -0.02 0.00 -1.73 0.00 0.00 68.15 69.53 1f8i h THR 422 CO 0.56 0.29 0.06 -0.08 -0.25 0.00 0.00 175.52 176.10 1f8i h GLU 423 N 0.00 1.02 -0.59 4.72 4.81 -1.92 0.12 114.58 122.74 1f8i h GLU 423 Ca -0.00 -0.28 -0.09 0.00 -0.13 0.00 0.00 59.36 58.85 1f8i h GLU 423 Cb 0.89 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.13 1f8i h GLU 423 CO 0.04 0.96 0.01 1.49 -0.73 0.00 0.00 179.01 180.78 1f8i h GLU 424 N 0.95 1.03 -0.56 1.92 4.81 -1.74 -2.77 114.58 118.21 1f8i h GLU 424 Ca 0.18 -0.32 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1f8i h GLU 424 Cb 0.47 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1f8i h GLU 424 CO 0.02 1.01 0.00 0.41 -0.73 0.00 0.00 179.01 179.72 1f8i n GLY 425 N -0.43 2.98 0.00 1.92 0.00 -1.03 -4.51 105.19 104.12 1f8i n GLY 425 Ca 0.02 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1f8i n GLY 425 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1f8i n GLN 426 N 0.77 1.02 0.00 1.61 6.02 0.38 -5.03 117.38 122.16 1f8i n GLN 426 Ca 0.25 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.24 1f8i n GLN 426 Cb 0.92 -0.09 0.00 0.00 1.02 0.00 0.00 30.24 32.10 1f8i n GLN 426 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24