#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 -0.58 0.00 0.00 0.15 -1.26 -5.04 113.70 106.97 1f8i s SER 2 Ca 0.00 0.21 0.23 0.00 0.70 0.00 0.00 55.95 57.09 1f8i s SER 2 Cb 0.00 0.57 0.12 0.00 -1.71 0.00 0.00 66.02 65.00 1f8i s SER 2 CO 0.00 -0.85 1.17 1.33 1.20 0.00 0.00 173.24 176.10 1f8i n VAL 3 N 0.05 0.00 -2.03 4.45 0.24 -1.26 -4.87 118.33 114.90 1f8i n VAL 3 Ca -0.18 -0.42 -0.42 0.00 -2.04 0.00 0.00 64.34 61.28 1f8i n VAL 3 Cb 0.62 1.40 -0.03 0.00 -1.47 0.00 0.00 33.84 34.37 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 -2.08 3.36 0.00 3.34 1.01 -1.26 -2.05 120.40 122.71 1f8i s VAL 4 Ca 0.24 0.71 0.00 0.00 0.00 0.00 0.00 61.98 62.93 1f8i s VAL 4 Cb 0.19 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 33.11 1f8i s VAL 4 CO 0.37 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.07 1f8i n GLY 5 N 3.92 0.56 3.69 4.51 0.00 -1.26 -4.86 105.19 111.74 1f8i n GLY 5 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.89 0.36 -2.08 2.61 -1.04 -0.87 -0.05 114.28 110.31 1f8i n THR 6 Ca 0.00 -0.07 -0.36 0.00 -2.04 0.00 0.00 64.05 61.59 1f8i n THR 6 Cb 0.00 -2.07 0.02 0.00 -1.82 0.00 0.00 70.33 66.46 1f8i n THR 6 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1f8i s PRO 7 N 2.73 3.10 0.92 -2.82 0.04 -1.26 -4.83 135.00 132.87 1f8i s PRO 7 Ca 0.83 1.78 -0.11 0.00 0.04 0.00 0.00 61.00 63.53 1f8i s PRO 7 Cb -0.51 -1.97 0.14 0.00 0.04 0.00 0.00 34.50 32.20 1f8i s PRO 7 CO 0.38 -1.09 1.10 0.15 0.04 0.00 0.00 177.00 177.58 1f8i s LYS 8 N -3.29 1.06 0.50 4.56 1.02 -1.26 -5.03 119.74 117.30 1f8i s LYS 8 Ca 0.76 1.07 -0.05 0.00 0.02 0.00 0.00 55.97 57.78 1f8i s LYS 8 Cb -0.29 -1.77 -0.02 0.00 -0.52 0.00 0.00 37.83 35.23 1f8i s LYS 8 CO 0.32 -2.45 0.79 -1.54 -0.92 0.00 0.00 175.35 171.55 1f8i s SER 9 N -3.09 6.08 0.25 2.83 1.04 -1.26 -4.94 113.70 114.61 1f8i s SER 9 Ca 0.65 0.81 -0.05 0.00 0.48 0.00 0.00 55.95 57.84 1f8i s SER 9 Cb -0.20 -2.06 0.32 0.00 0.10 0.00 0.00 66.02 64.18 1f8i s SER 9 CO 0.58 -0.68 1.88 0.00 0.98 0.00 0.00 173.24 176.00 1f8i h ALA 10 N 0.17 1.25 -0.43 5.32 0.00 -1.96 -2.03 119.26 121.59 1f8i h ALA 10 Ca -0.47 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.45 1f8i h ALA 10 Cb 1.22 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1f8i h ALA 10 CO 0.61 0.44 0.20 0.93 0.00 0.00 0.00 179.25 181.43 1f8i h GLU 11 N 1.15 0.39 -0.64 0.00 3.07 -1.95 0.15 114.58 116.74 1f8i h GLU 11 Ca 0.38 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.22 1f8i h GLU 11 Cb 0.06 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 27.85 1f8i h GLU 11 CO -0.14 0.26 0.39 1.96 -1.40 0.00 0.00 179.01 180.07 1f8i h GLN 12 N 0.40 0.87 -0.03 2.33 4.20 -1.80 -0.14 115.11 120.93 1f8i h GLN 12 Ca 0.19 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 1f8i h GLN 12 Cb 0.12 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.71 1f8i h GLN 12 CO -0.15 0.62 0.02 0.82 -0.67 0.00 0.00 178.83 179.47 1f8i h ILE 13 N 0.87 1.08 -0.59 2.54 2.04 -0.83 -2.23 117.51 120.39 1f8i h ILE 13 Ca 0.23 -0.24 0.07 0.00 1.00 0.00 0.00 64.86 65.92 1f8i h ILE 13 Cb -0.03 1.19 -0.06 0.00 -0.74 0.00 0.00 36.82 37.18 1f8i h ILE 13 CO -0.04 0.07 0.28 -0.61 0.00 0.00 0.00 178.15 177.84 1f8i h GLN 14 N -0.05 0.50 -0.97 2.37 5.75 -0.39 -1.12 115.11 121.20 1f8i h GLN 14 Ca 0.01 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1f8i h GLN 14 Cb 0.09 -0.11 -0.05 0.00 1.07 0.00 0.00 27.48 28.48 1f8i h GLN 14 CO -0.00 0.33 0.61 0.37 -2.65 0.00 0.00 178.83 177.49 1f8i h GLN 15 N 0.51 1.30 -0.62 1.69 4.15 -0.87 0.51 115.11 121.78 1f8i h GLN 15 Ca 0.28 -0.10 -0.02 0.00 0.77 0.00 0.00 58.65 59.58 1f8i h GLN 15 Cb 0.25 -0.28 -0.03 0.00 0.21 0.00 0.00 27.48 27.63 1f8i h GLN 15 CO -0.22 0.89 0.30 0.93 -1.93 0.00 0.00 178.83 178.80 1f8i h GLU 16 N 1.33 0.89 -0.56 1.69 5.08 -0.69 0.27 114.58 122.59 1f8i h GLU 16 Ca 0.35 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 58.51 1f8i h GLU 16 Cb -0.10 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 28.96 1f8i h GLU 16 CO -0.07 0.71 0.06 -1.49 -1.00 0.00 0.00 179.01 177.22 1f8i h TRP 17 N 0.85 1.02 0.01 4.33 6.55 -0.56 0.01 115.95 128.16 1f8i h TRP 17 Ca 0.21 -0.16 -0.19 0.00 0.95 0.00 0.00 58.89 59.71 1f8i h TRP 17 Cb 0.11 -0.27 -0.02 0.00 -0.86 0.00 0.00 29.16 28.12 1f8i h TRP 17 CO -0.00 0.91 -0.87 -0.44 -1.05 0.00 0.00 178.44 176.99 1f8i h ASP 18 N 0.84 0.13 0.00 -3.49 3.32 -0.63 -3.39 116.42 113.21 1f8i h ASP 18 Ca 0.17 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1f8i h ASP 18 Cb 0.46 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1f8i h ASP 18 CO 0.02 0.93 -1.58 0.35 -1.72 0.00 0.00 179.24 177.24 1f8i n THR 19 N -3.60 0.00 -2.86 0.35 -2.24 0.91 -4.97 114.28 101.87 1f8i n THR 19 Ca -0.02 -0.31 -0.41 0.00 -2.27 0.00 0.00 64.05 61.03 1f8i n THR 19 Cb 0.81 0.23 -0.04 0.00 -2.10 0.00 0.00 70.33 69.23 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 -3.53 7.08 0.61 3.42 3.84 -0.01 -4.92 114.94 121.43 1f8i s ASN 20 Ca -0.05 1.32 0.32 0.00 0.21 0.00 0.00 52.86 54.66 1f8i s ASN 20 Cb 0.09 -2.48 1.82 0.00 -0.55 0.00 0.00 41.25 40.12 1f8i s ASN 20 CO 0.58 -0.33 2.15 -0.65 -2.79 0.00 0.00 177.10 176.06 1f8i h PRO 21 N 7.09 0.00 -0.54 0.43 0.11 -1.93 -1.50 132.00 135.66 1f8i h PRO 21 Ca -0.34 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.90 1f8i h PRO 21 Cb 1.16 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 1f8i h PRO 21 CO 0.81 0.00 0.38 -0.09 -0.21 0.00 0.00 178.00 178.89 1f8i h ARG 22 N 0.00 0.18 -0.59 1.05 9.65 -1.92 -1.29 114.38 121.45 1f8i h ARG 22 Ca 0.05 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.92 1f8i h ARG 22 Cb 0.37 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.91 1f8i h ARG 22 CO -0.00 0.12 0.00 0.91 2.80 0.00 0.00 179.97 183.80 1f8i n TRP 23 N -4.43 1.00 -0.28 2.20 5.03 -0.56 -4.68 117.44 115.71 1f8i n TRP 23 Ca 0.09 -0.55 0.07 0.00 3.03 0.00 0.00 57.50 60.14 1f8i n TRP 23 Cb 0.49 -0.09 0.19 0.00 -1.03 0.00 0.00 31.31 30.86 1f8i n TRP 23 CO 0.00 0.00 0.00 -0.22 -0.03 0.00 0.00 177.69 177.44 1f8i h LYS 24 N 3.53 0.11 -0.28 -0.99 3.64 -1.29 -1.81 116.57 119.47 1f8i h LYS 24 Ca 0.00 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 1f8i h LYS 24 Cb 1.08 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.84 1f8i h LYS 24 CO 0.08 0.07 -0.01 -0.25 -2.27 0.00 0.00 179.45 177.06 1f8i n ASP 25 N -5.35 3.34 -4.64 4.20 8.00 -1.26 -4.99 116.55 115.85 1f8i n ASP 25 Ca 0.16 -3.26 -0.38 0.00 0.71 0.00 0.00 54.79 52.02 1f8i n ASP 25 Cb 0.54 -0.57 -0.09 0.00 -0.02 0.00 0.00 41.12 40.98 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 -2.97 5.29 -0.15 2.53 1.01 -0.68 -4.77 120.40 120.66 1f8i s VAL 26 Ca 0.42 0.35 -0.11 0.00 0.00 0.00 0.00 61.98 62.64 1f8i s VAL 26 Cb 0.36 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 1f8i s VAL 26 CO 0.06 0.28 0.21 -0.89 0.00 0.00 0.00 175.10 174.75 1f8i s THR 27 N 1.43 5.37 -0.17 3.92 2.01 -0.54 -5.03 115.64 122.62 1f8i s THR 27 Ca 0.11 0.36 0.00 0.00 0.31 0.00 0.00 61.69 62.47 1f8i s THR 27 Cb -0.15 -3.52 0.04 0.00 0.01 0.00 0.00 72.50 68.88 1f8i s THR 27 CO 0.07 0.48 -0.09 -0.13 -0.69 0.00 0.00 174.62 174.27 1f8i s ARG 28 N -0.11 1.78 0.00 4.92 0.52 -1.26 -4.73 118.95 120.07 1f8i s ARG 28 Ca 0.14 -0.59 0.07 0.00 -0.52 0.00 0.00 55.73 54.83 1f8i s ARG 28 Cb -0.12 -2.09 0.31 0.00 0.52 0.00 0.00 34.95 33.56 1f8i s ARG 28 CO 0.03 -0.38 1.22 0.25 0.02 0.00 0.00 175.30 176.44 1f8i n THR 29 N 4.81 0.11 -4.60 0.02 -2.24 -1.26 -4.80 114.28 106.32 1f8i n THR 29 Ca -0.14 -0.12 -0.28 0.00 -2.27 0.00 0.00 64.05 61.24 1f8i n THR 29 Cb 0.48 0.02 -0.09 0.00 -2.10 0.00 0.00 70.33 68.64 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 -1.89 1.99 0.32 4.78 -0.85 -1.26 -5.16 117.35 115.28 1f8i s TYR 30 Ca 0.12 -0.99 0.09 0.00 -0.52 0.00 0.00 57.07 55.76 1f8i s TYR 30 Cb 0.06 -1.45 -0.04 0.00 0.38 0.00 0.00 41.96 40.91 1f8i s TYR 30 CO 0.09 0.08 0.10 -1.54 -1.52 0.00 0.00 175.55 172.76 1f8i s SER 31 N -3.69 4.61 0.29 -0.18 1.04 -1.26 -5.00 113.70 109.51 1f8i s SER 31 Ca 0.23 -0.76 0.01 0.00 0.48 0.00 0.00 55.95 55.90 1f8i s SER 31 Cb 0.05 -0.74 0.53 0.00 0.10 0.00 0.00 66.02 65.95 1f8i s SER 31 CO 0.12 -0.23 1.87 0.00 0.98 0.00 0.00 173.24 175.98 1f8i h ALA 32 N 1.64 1.51 -0.83 5.32 0.00 -1.98 0.77 119.26 125.68 1f8i h ALA 32 Ca -0.44 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.51 1f8i h ALA 32 Cb 1.25 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 1f8i h ALA 32 CO 0.63 0.30 0.55 0.93 0.00 0.00 0.00 179.25 181.66 1f8i h GLU 33 N 1.04 0.99 -0.53 0.00 3.07 -1.95 -1.51 114.58 115.69 1f8i h GLU 33 Ca 0.45 -0.06 -0.10 0.00 -0.50 0.00 0.00 59.36 59.15 1f8i h GLU 33 Cb 0.34 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 1f8i h GLU 33 CO -0.20 0.65 -0.06 -0.44 -1.40 0.00 0.00 179.01 177.56 1f8i h ASP 34 N 1.02 0.95 -0.10 1.42 3.32 -1.26 -1.97 116.42 119.80 1f8i h ASP 34 Ca 0.34 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1f8i h ASP 34 Cb 0.06 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.35 1f8i h ASP 34 CO -0.10 1.04 0.04 0.58 -1.72 0.00 0.00 179.24 179.07 1f8i h VAL 35 N 0.87 1.16 -0.56 -1.35 2.07 -0.76 -3.07 116.25 114.61 1f8i h VAL 35 Ca 0.15 -0.47 0.04 0.00 0.82 0.00 0.00 66.70 67.23 1f8i h VAL 35 Cb 0.60 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 1f8i h VAL 35 CO 0.04 0.14 0.32 0.58 0.02 0.00 0.00 177.57 178.66 1f8i h VAL 36 N -0.01 1.01 -0.16 2.57 2.07 -1.20 -1.79 116.25 118.74 1f8i h VAL 36 Ca 0.03 -0.21 0.05 0.00 0.82 0.00 0.00 66.70 67.39 1f8i h VAL 36 Cb 0.19 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1f8i h VAL 36 CO -0.00 0.11 0.24 0.00 0.02 0.00 0.00 177.57 177.94 1f8i h ALA 37 N 1.27 1.66 -0.01 1.67 0.00 -1.27 -1.10 119.26 121.48 1f8i h ALA 37 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1f8i h ALA 37 Cb 0.08 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1f8i h ALA 37 CO -0.13 -0.32 -0.43 1.28 0.00 0.00 0.00 179.25 179.65 1f8i n LEU 38 N -3.52 1.39 -0.36 0.00 4.77 -0.68 -4.43 117.00 114.18 1f8i n LEU 38 Ca 0.01 -0.46 0.14 0.00 -0.03 0.00 0.00 56.01 55.66 1f8i n LEU 38 Cb 0.35 -0.07 0.60 0.00 -2.33 0.00 0.00 43.42 41.97 1f8i n LEU 38 CO 0.24 0.27 0.91 0.00 -1.33 0.00 0.00 177.39 177.47 1f8i n GLN 39 N -0.53 1.49 0.00 3.23 6.02 -0.42 -5.05 117.38 122.13 1f8i n GLN 39 Ca 0.10 -0.72 0.00 0.00 -0.01 0.00 0.00 57.00 56.37 1f8i n GLN 39 Cb 0.39 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 30.19 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 1.11 0.93 0.71 1.08 0.00 -1.26 -3.68 105.19 104.07 1f8i n GLY 40 Ca 0.19 -0.74 0.07 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.88 2.71 -3.74 1.61 3.41 -1.26 -4.91 113.62 108.56 1f8i n SER 41 Ca 0.00 -1.80 -0.14 0.00 -0.26 0.00 0.00 58.87 56.67 1f8i n SER 41 Cb 0.00 -0.15 -0.14 0.00 -0.26 0.00 0.00 64.21 63.66 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 -1.11 -0.07 -0.19 -3.33 1.01 -1.24 -4.40 120.40 111.06 1f8i s VAL 42 Ca 0.24 0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.40 1f8i s VAL 42 Cb 0.14 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.27 1f8i s VAL 42 CO 0.20 0.08 -0.12 -0.69 0.00 0.00 0.00 175.10 174.56 1f8i s VAL 43 N 1.27 2.74 0.20 2.92 1.01 0.92 -4.95 120.40 124.51 1f8i s VAL 43 Ca -0.08 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 60.89 1f8i s VAL 43 Cb -0.12 -2.20 -0.08 0.00 0.00 0.00 0.00 36.38 33.98 1f8i s VAL 43 CO -0.06 0.48 1.12 -1.61 0.00 0.00 0.00 175.10 175.03 1f8i s GLU 44 N 1.28 4.58 0.09 2.72 2.02 -1.26 -4.54 118.70 123.59 1f8i s GLU 44 Ca 0.03 1.76 -0.27 0.00 0.02 0.00 0.00 54.97 56.52 1f8i s GLU 44 Cb -0.14 -3.25 -0.06 0.00 0.10 0.00 0.00 34.13 30.78 1f8i s GLU 44 CO -0.06 0.07 0.83 -2.00 0.02 0.00 0.00 175.26 174.12 1f8i s GLU 45 N -0.56 4.58 -0.76 1.61 2.56 -1.26 -4.92 118.70 119.95 1f8i s GLU 45 Ca 0.49 1.21 0.03 0.00 0.00 0.00 0.00 54.97 56.70 1f8i s GLU 45 Cb -0.30 -3.35 0.19 0.00 2.00 0.00 0.00 34.13 32.67 1f8i s GLU 45 CO 0.36 0.32 0.61 0.72 -0.56 0.00 0.00 175.26 176.72 1f8i n HIS 46 N 2.55 3.56 -0.10 5.30 8.25 -1.26 -4.98 115.22 128.54 1f8i n HIS 46 Ca -0.02 -4.23 -0.10 0.00 -0.26 0.00 0.00 57.72 53.11 1f8i n HIS 46 Cb 0.50 -0.77 -0.04 0.00 1.12 0.00 0.00 29.99 30.79 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 4.17 0.15 -0.04 1.59 2.02 -1.94 -0.59 112.91 118.26 1f8i h THR 47 Ca 0.16 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.26 1f8i h THR 47 Cb 0.76 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1f8i h THR 47 CO 0.78 0.00 -0.37 -0.07 0.37 0.00 0.00 175.52 176.23 1f8i h LEU 48 N -0.34 0.07 -0.41 2.58 3.38 -1.93 -0.63 115.31 118.04 1f8i h LEU 48 Ca 0.13 -0.03 -0.18 0.00 0.09 0.00 0.00 57.88 57.90 1f8i h LEU 48 Cb 0.58 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 1f8i h LEU 48 CO -0.53 0.44 -0.60 0.00 0.09 0.00 0.00 178.44 177.83 1f8i h ALA 49 N 1.57 0.58 0.08 1.53 0.00 -1.58 -1.62 119.26 119.82 1f8i h ALA 49 Ca 0.01 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 1f8i h ALA 49 Cb 0.68 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1f8i h ALA 49 CO 0.05 0.70 -0.04 -0.09 0.00 0.00 0.00 179.25 179.87 1f8i h ARG 50 N 0.48 -0.11 -0.45 0.00 2.43 -0.86 -2.50 114.38 113.38 1f8i h ARG 50 Ca -0.00 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1f8i h ARG 50 Cb 1.18 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.72 1f8i h ARG 50 CO 0.12 0.40 0.26 -0.09 -1.51 0.00 0.00 179.97 179.15 1f8i h ARG 51 N -0.70 0.51 -0.81 0.20 2.43 -1.20 -0.95 114.38 113.86 1f8i h ARG 51 Ca -0.01 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1f8i h ARG 51 Cb 0.56 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.96 1f8i h ARG 51 CO 0.02 0.33 0.41 0.78 -1.51 0.00 0.00 179.97 180.00 1f8i h GLY 52 N 0.52 1.24 0.97 2.80 0.00 -1.37 0.44 103.07 107.67 1f8i h GLY 52 Ca 0.18 -0.60 -0.08 0.00 0.00 0.00 0.00 47.33 46.83 1f8i h GLY 52 CO -0.09 0.57 -0.07 0.00 0.00 0.00 0.00 176.54 176.95 1f8i h ALA 53 N 1.21 0.55 -0.16 3.60 0.00 -1.14 0.50 119.26 123.81 1f8i h ALA 53 Ca 0.28 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1f8i h ALA 53 Cb 0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1f8i h ALA 53 CO -0.04 0.39 0.08 0.93 0.00 0.00 0.00 179.25 180.61 1f8i h GLU 54 N 0.57 0.24 -0.59 0.00 5.08 -0.87 -0.58 114.58 118.42 1f8i h GLU 54 Ca 0.10 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1f8i h GLU 54 Cb 0.58 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 1f8i h GLU 54 CO 0.03 0.29 0.22 0.28 -1.00 0.00 0.00 179.01 178.83 1f8i h VAL 55 N 0.13 1.23 0.22 3.13 2.07 -0.87 -1.95 116.25 120.23 1f8i h VAL 55 Ca 0.06 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 1f8i h VAL 55 Cb 0.13 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1f8i h VAL 55 CO -0.01 0.29 -0.11 0.25 0.02 0.00 0.00 177.57 178.01 1f8i h LEU 56 N 0.83 -0.26 -0.48 2.57 5.85 -0.73 -0.54 115.31 122.55 1f8i h LEU 56 Ca 0.20 -0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.94 1f8i h LEU 56 Cb 0.23 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.25 1f8i h LEU 56 CO -0.01 -0.11 0.07 -0.25 -0.34 0.00 0.00 178.44 177.80 1f8i h TRP 57 N -0.39 0.10 -0.01 1.25 2.91 -1.05 -0.59 115.95 118.17 1f8i h TRP 57 Ca -0.03 0.03 0.01 0.00 1.13 0.00 0.00 58.89 60.03 1f8i h TRP 57 Cb 0.30 0.03 -0.02 0.00 -0.51 0.00 0.00 29.16 28.96 1f8i h TRP 57 CO -0.04 -0.04 -0.06 0.93 -1.03 0.00 0.00 178.44 178.20 1f8i h GLU 58 N 0.19 -0.10 -0.58 2.65 5.08 -1.14 -2.53 114.58 118.15 1f8i h GLU 58 Ca 0.24 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.63 1f8i h GLU 58 Cb 0.33 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1f8i h GLU 58 CO -0.34 -0.07 0.38 1.96 -1.00 0.00 0.00 179.01 179.94 1f8i h GLN 59 N -0.11 0.70 0.00 2.33 4.20 -0.48 0.78 115.11 122.53 1f8i h GLN 59 Ca 0.03 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1f8i h GLN 59 Cb 0.15 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.77 1f8i h GLN 59 CO -0.07 0.46 0.00 -0.07 -0.67 0.00 0.00 178.83 178.48 1f8i h LEU 60 N 0.72 0.00 0.00 1.46 3.38 -0.68 -1.48 115.31 118.70 1f8i h LEU 60 Ca 0.22 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.87 1f8i h LEU 60 Cb 0.01 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 1f8i h LEU 60 CO -0.05 0.00 -2.21 1.41 0.09 0.00 0.00 178.44 177.68 1f8i n HIS 61 N -2.85 0.00 0.13 1.13 8.25 -0.11 -4.67 115.22 117.10 1f8i n HIS 61 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1f8i n HIS 61 Cb 0.13 -0.81 0.04 0.00 1.12 0.00 0.00 29.99 30.46 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 -0.10 0.00 -2.82 0.41 3.32 -0.86 -3.46 116.42 112.92 1f8i h ASP 62 Ca -0.48 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.05 1f8i h ASP 62 Cb 1.70 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.24 1f8i h ASP 62 CO -0.11 0.62 -0.29 -0.76 -1.72 0.00 0.00 179.24 176.99 1f8i s LEU 63 N -6.65 4.17 0.49 1.55 1.43 -0.57 -4.96 118.68 114.13 1f8i s LEU 63 Ca 0.02 0.42 0.15 0.00 -1.03 0.00 0.00 54.13 53.69 1f8i s LEU 63 Cb 0.09 -3.22 1.16 0.00 0.03 0.00 0.00 46.19 44.25 1f8i s LEU 63 CO 0.76 -0.12 2.10 -0.08 0.23 0.00 0.00 176.35 179.24 1f8i h GLU 64 N 1.61 0.16 0.00 1.70 4.81 -1.89 -3.45 114.58 117.52 1f8i h GLU 64 Ca -0.49 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1f8i h GLU 64 Cb 1.20 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1f8i h GLU 64 CO 0.66 0.11 0.00 -2.67 -0.73 0.00 0.00 179.01 176.37 1f8i n TRP 65 N -4.50 0.00 -3.93 0.92 2.14 -1.26 -4.84 117.44 105.97 1f8i n TRP 65 Ca 0.01 0.00 -0.35 0.00 2.07 0.00 0.00 57.50 59.22 1f8i n TRP 65 Cb 0.16 0.00 -0.13 0.00 -0.81 0.00 0.00 31.31 30.52 1f8i n TRP 65 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 1f8i s VAL 66 N -2.00 3.77 0.21 -1.67 1.01 0.26 -5.02 120.40 116.96 1f8i s VAL 66 Ca 0.00 -0.36 0.11 0.00 0.00 0.00 0.00 61.98 61.72 1f8i s VAL 66 Cb 0.00 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 1f8i s VAL 66 CO 0.00 0.40 -0.19 0.54 0.00 0.00 0.00 175.10 175.86 1f8i s ASN 67 N 1.37 3.71 0.25 3.32 4.22 -1.26 -0.82 114.94 125.73 1f8i s ASN 67 Ca 0.05 -0.82 -0.12 0.00 -2.14 0.00 0.00 52.86 49.83 1f8i s ASN 67 Cb -0.15 -0.40 -0.01 0.00 1.28 0.00 0.00 41.25 41.98 1f8i s ASN 67 CO 0.00 0.10 0.45 0.00 -2.04 0.00 0.00 177.10 175.61 1f8i s ALA 68 N -1.87 -0.11 0.01 3.54 0.00 -0.22 -4.32 121.76 118.79 1f8i s ALA 68 Ca 0.24 -0.96 0.06 0.00 0.00 0.00 0.00 51.96 51.31 1f8i s ALA 68 Cb -0.07 1.10 -0.02 0.00 0.00 0.00 0.00 23.12 24.12 1f8i s ALA 68 CO 0.13 -0.83 -0.19 -0.51 0.00 0.00 0.00 175.76 174.35 1f8i s LEU 69 N -3.03 2.10 0.26 0.00 1.43 -1.26 -2.00 118.68 116.17 1f8i s LEU 69 Ca 0.24 -0.41 -0.30 0.00 -1.03 0.00 0.00 54.13 52.62 1f8i s LEU 69 Cb -0.00 -0.93 -0.11 0.00 0.03 0.00 0.00 46.19 45.18 1f8i s LEU 69 CO 0.09 0.19 1.50 -0.83 0.23 0.00 0.00 176.35 177.53 1f8i s GLY 70 N -0.77 2.22 -0.05 -3.19 0.00 -0.45 -2.97 107.32 102.10 1f8i s GLY 70 Ca 0.07 1.42 0.04 0.00 0.00 0.00 0.00 44.72 46.25 1f8i s GLY 70 CO 0.00 2.40 -0.16 0.00 0.00 0.00 0.00 173.10 175.34 1f8i s ALA 71 N 0.03 1.46 -0.48 3.20 0.00 0.17 -2.05 121.76 124.09 1f8i s ALA 71 Ca 0.61 -0.61 0.05 0.00 0.00 0.00 0.00 51.96 52.00 1f8i s ALA 71 Cb -0.44 -0.53 0.01 0.00 0.00 0.00 0.00 23.12 22.16 1f8i s ALA 71 CO 0.45 0.22 0.51 1.47 0.00 0.00 0.00 175.76 178.41 1f8i n LEU 72 N 3.37 1.04 -4.15 0.00 -0.00 -1.26 -4.42 117.00 111.58 1f8i n LEU 72 Ca -0.19 -0.85 -0.09 0.00 -0.00 0.00 0.00 56.01 54.87 1f8i n LEU 72 Cb 0.53 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.85 1f8i n LEU 72 CO 0.25 0.23 -0.36 0.42 -0.00 0.00 0.00 177.39 177.93 1f8i s THR 73 N -0.70 0.43 0.09 1.47 -4.23 -1.26 -4.89 115.64 106.55 1f8i s THR 73 Ca 0.04 -1.89 -0.25 0.00 -1.18 0.00 0.00 61.69 58.41 1f8i s THR 73 Cb 0.04 -1.73 -0.13 0.00 1.34 0.00 0.00 72.50 72.01 1f8i s THR 73 CO 0.09 -0.81 1.70 1.23 -0.54 0.00 0.00 174.62 176.30 1f8i h GLY 74 N 2.98 -0.21 0.71 3.99 0.00 -1.92 -2.56 103.07 106.06 1f8i h GLY 74 Ca -0.35 0.11 0.12 0.00 0.00 0.00 0.00 47.33 47.21 1f8i h GLY 74 CO 0.64 -0.10 0.54 3.43 0.00 0.00 0.00 176.54 181.05 1f8i h ASN 75 N -0.23 0.64 -0.10 0.19 4.21 -1.94 -1.87 115.58 116.48 1f8i h ASN 75 Ca 0.00 0.03 0.04 0.00 1.21 0.00 0.00 56.30 57.57 1f8i h ASN 75 Cb 0.22 -0.11 -0.04 0.00 -1.12 0.00 0.00 38.32 37.27 1f8i h ASN 75 CO -0.02 0.36 -0.16 0.24 -1.29 0.00 0.00 177.43 176.56 1f8i h MET 76 N 0.70 -0.21 -0.80 0.81 2.86 -1.88 -1.08 114.93 115.34 1f8i h MET 76 Ca 0.40 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.05 1f8i h MET 76 Cb 0.57 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.24 1f8i h MET 76 CO -0.16 -0.14 0.50 0.00 1.06 0.00 0.00 176.91 178.17 1f8i h ALA 77 N 0.80 1.38 -0.48 6.32 0.00 -1.23 -1.84 119.26 124.20 1f8i h ALA 77 Ca 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1f8i h ALA 77 Cb 0.34 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1f8i h ALA 77 CO -0.23 0.55 0.31 0.28 0.00 0.00 0.00 179.25 180.17 1f8i h VAL 78 N 1.10 1.13 -0.56 0.00 2.07 -0.73 -1.52 116.25 117.72 1f8i h VAL 78 Ca 0.29 -0.24 -0.08 0.00 0.82 0.00 0.00 66.70 67.49 1f8i h VAL 78 Cb -0.08 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 1f8i h VAL 78 CO -0.06 0.12 0.01 1.56 0.02 0.00 0.00 177.57 179.23 1f8i h GLN 79 N 0.64 0.96 -0.71 1.57 1.08 -0.80 0.52 115.11 118.38 1f8i h GLN 79 Ca 0.17 -0.28 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1f8i h GLN 79 Cb -0.07 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.23 1f8i h GLN 79 CO -0.04 0.94 0.45 1.96 -0.95 0.00 0.00 178.83 181.20 1f8i h GLN 80 N 0.89 0.94 -0.19 1.46 4.20 -0.88 0.28 115.11 121.81 1f8i h GLN 80 Ca 0.17 -0.07 -0.14 0.00 0.06 0.00 0.00 58.65 58.67 1f8i h GLN 80 Cb 0.50 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.08 1f8i h GLN 80 CO 0.02 0.64 -0.44 0.28 -0.67 0.00 0.00 178.83 178.66 1f8i h VAL 81 N 0.96 1.33 -0.42 -0.54 2.07 -1.07 -1.61 116.25 116.97 1f8i h VAL 81 Ca 0.26 -1.68 0.06 0.00 0.82 0.00 0.00 66.70 66.15 1f8i h VAL 81 Cb -0.09 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1f8i h VAL 81 CO -0.05 0.52 0.28 -0.09 0.02 0.00 0.00 177.57 178.25 1f8i h ARG 82 N 0.30 0.32 -0.00 1.57 9.65 -0.57 -0.69 114.38 124.96 1f8i h ARG 82 Ca -0.00 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1f8i h ARG 82 Cb 1.05 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.56 1f8i h ARG 82 CO 0.10 0.21 -0.04 0.00 2.80 0.00 0.00 179.97 183.04 1f8i n ALA 83 N -2.52 2.57 0.00 2.80 0.00 0.06 -4.92 120.51 118.50 1f8i n ALA 83 Ca 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1f8i n ALA 83 Cb 0.25 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 1.29 1.40 3.77 0.00 0.00 -0.27 -5.08 105.19 106.30 1f8i n GLY 84 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 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 4.19 -0.07 0.99 1.43 -0.62 -4.94 118.68 119.66 1f8i s LEU 85 Ca 0.00 2.60 0.14 0.00 -1.03 0.00 0.00 54.13 55.84 1f8i s LEU 85 Cb 0.00 -3.95 0.44 0.00 0.03 0.00 0.00 46.19 42.71 1f8i s LEU 85 CO 0.00 -0.86 1.37 0.29 0.23 0.00 0.00 176.35 177.38 1f8i n LYS 86 N 0.05 3.01 -3.65 1.70 5.02 -1.26 -4.32 118.16 118.70 1f8i n LYS 86 Ca 0.04 -2.42 -0.14 0.00 -2.02 0.00 0.00 58.31 53.77 1f8i n LYS 86 Cb 0.44 -1.54 -0.07 0.00 -0.02 0.00 0.00 35.03 33.85 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 -1.67 -1.10 -0.10 7.82 0.00 -1.26 -4.04 121.76 121.42 1f8i s ALA 87 Ca 0.33 0.46 0.04 0.00 0.00 0.00 0.00 51.96 52.79 1f8i s ALA 87 Cb 0.22 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.61 1f8i s ALA 87 CO 0.15 -0.42 -0.22 0.42 0.00 0.00 0.00 175.76 175.69 1f8i s ILE 88 N -2.15 1.94 -0.22 0.00 1.01 0.01 -4.50 121.20 117.29 1f8i s ILE 88 Ca -0.07 -0.95 -0.09 0.00 0.00 0.00 0.00 60.65 59.54 1f8i s ILE 88 Cb -0.01 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.72 1f8i s ILE 88 CO 0.00 0.53 0.11 -0.47 0.00 0.00 0.00 174.94 175.12 1f8i s TYR 89 N 0.41 3.27 -0.51 3.97 5.04 -1.16 -1.23 117.35 127.14 1f8i s TYR 89 Ca -0.18 0.09 -0.09 0.00 -2.44 0.00 0.00 57.07 54.45 1f8i s TYR 89 Cb -0.18 -2.20 0.13 0.00 0.35 0.00 0.00 41.96 40.07 1f8i s TYR 89 CO 0.08 0.05 0.39 -1.17 -1.34 0.00 0.00 175.55 173.55 1f8i s LEU 90 N 0.88 5.76 0.07 6.97 2.96 -0.26 -0.66 118.68 134.40 1f8i s LEU 90 Ca 0.06 -2.04 -0.30 0.00 -0.22 0.00 0.00 54.13 51.63 1f8i s LEU 90 Cb -0.13 -2.02 -0.05 0.00 0.50 0.00 0.00 46.19 44.48 1f8i s LEU 90 CO 0.03 -0.67 1.13 -0.55 -1.32 0.00 0.00 176.35 174.97 1f8i s SER 91 N 2.52 7.18 0.28 3.68 0.15 -1.26 -2.05 113.70 124.19 1f8i s SER 91 Ca 0.07 1.95 0.14 0.00 0.70 0.00 0.00 55.95 58.81 1f8i s SER 91 Cb -0.25 -2.58 0.28 0.00 -1.71 0.00 0.00 66.02 61.76 1f8i s SER 91 CO -0.01 -0.37 1.54 1.23 1.20 0.00 0.00 173.24 176.83 1f8i h GLY 92 N 6.46 0.00 0.89 9.45 0.00 -1.95 -2.81 103.07 115.11 1f8i h GLY 92 Ca -0.42 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 1f8i h GLY 92 CO 0.78 0.00 -0.07 -0.25 0.00 0.00 0.00 176.54 177.00 1f8i h TRP 93 N 0.00 -0.19 -0.63 5.60 7.01 -1.96 -1.21 115.95 124.58 1f8i h TRP 93 Ca -0.01 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.98 1f8i h TRP 93 Cb 1.24 0.06 -0.03 0.00 -2.10 0.00 0.00 29.16 28.33 1f8i h TRP 93 CO 0.00 -0.02 0.36 1.96 -2.79 0.00 0.00 178.44 177.95 1f8i h GLN 94 N -0.32 0.85 -0.59 2.65 4.20 -1.89 0.21 115.11 120.22 1f8i h GLN 94 Ca -0.02 -0.08 -0.07 0.00 0.06 0.00 0.00 58.65 58.54 1f8i h GLN 94 Cb 0.25 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 1f8i h GLN 94 CO 0.03 0.62 0.10 0.28 -0.67 0.00 0.00 178.83 179.19 1f8i h VAL 95 N 0.87 1.26 -0.56 -0.54 2.07 -1.30 0.18 116.25 118.22 1f8i h VAL 95 Ca 0.22 -0.98 -0.09 0.00 0.82 0.00 0.00 66.70 66.67 1f8i h VAL 95 Cb -0.00 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1f8i h VAL 95 CO -0.04 0.36 -0.01 0.00 0.02 0.00 0.00 177.57 177.90 1f8i h ALA 96 N 1.02 0.76 -0.04 1.67 0.00 -0.50 -1.06 119.26 121.11 1f8i h ALA 96 Ca 0.18 -0.31 -0.20 0.00 0.00 0.00 0.00 54.91 54.58 1f8i h ALA 96 Cb 0.41 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1f8i h ALA 96 CO 0.01 0.60 -0.83 0.78 0.00 0.00 0.00 179.25 179.81 1f8i h GLY 97 N 0.88 0.44 -0.32 0.00 0.00 -0.62 0.20 103.07 103.66 1f8i h GLY 97 Ca 0.16 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 46.79 1f8i h GLY 97 CO 0.03 0.62 -0.07 1.34 0.00 0.00 0.00 176.54 178.46 1f8i n ASP 98 N -3.79 0.00 -2.69 0.19 2.03 0.61 -4.42 116.55 108.48 1f8i n ASP 98 Ca -0.05 -1.14 -0.08 0.00 0.52 0.00 0.00 54.79 54.04 1f8i n ASP 98 Cb 0.77 -0.03 0.10 0.00 -0.72 0.00 0.00 41.12 41.24 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 1.73 -2.47 -1.67 0.00 -0.50 -4.98 120.51 112.62 1f8i n ALA 99 Ca 0.00 -1.75 -0.24 0.00 0.00 0.00 0.00 53.44 51.45 1f8i n ALA 99 Cb 0.53 -0.99 -0.10 0.00 0.00 0.00 0.00 19.45 18.89 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 -1.67 3.61 0.06 0.00 4.22 -0.63 -4.72 114.94 115.80 1f8i s ASN 100 Ca 0.23 -1.01 0.08 0.00 -2.14 0.00 0.00 52.86 50.02 1f8i s ASN 100 Cb 0.41 -0.31 0.37 0.00 1.28 0.00 0.00 41.25 43.00 1f8i s ASN 100 CO -0.06 0.04 1.25 0.18 -2.04 0.00 0.00 177.10 176.47 1f8i n LEU 101 N -0.59 0.12 0.20 3.54 4.77 -1.26 -1.91 117.00 121.86 1f8i n LEU 101 Ca -0.05 0.55 0.12 0.00 -0.03 0.00 0.00 56.01 56.59 1f8i n LEU 101 Cb 0.60 -0.55 0.17 0.00 -2.33 0.00 0.00 43.42 41.31 1f8i n LEU 101 CO 0.38 -0.50 0.74 0.77 -1.33 0.00 0.00 177.39 177.45 1f8i h SER 102 N 0.00 0.00 0.00 -1.43 4.64 -1.96 -3.47 113.55 111.33 1f8i h SER 102 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1f8i h SER 102 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1f8i h SER 102 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1f8i n GLY 103 N 1.13 1.66 3.96 -0.77 0.00 -0.80 -5.03 105.19 105.34 1f8i n GLY 103 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.00 3.34 -0.21 1.61 3.76 -1.26 -5.01 115.29 114.52 1f8i s HIS 104 Ca 0.00 0.10 -0.15 0.00 -0.15 0.00 0.00 55.06 54.86 1f8i s HIS 104 Cb 0.00 -1.92 -0.04 0.00 1.11 0.00 0.00 32.58 31.73 1f8i s HIS 104 CO 0.00 0.08 0.35 0.99 -0.85 0.00 0.00 174.74 175.30 1f8i s THR 105 N -2.25 5.23 0.08 1.30 2.01 -1.26 -4.70 115.64 116.05 1f8i s THR 105 Ca 0.41 0.59 0.03 0.00 0.31 0.00 0.00 61.69 63.04 1f8i s THR 105 Cb -0.09 -3.68 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 1f8i s THR 105 CO 0.33 0.27 -0.09 -0.31 -0.69 0.00 0.00 174.62 174.13 1f8i s TYR 106 N 1.25 0.94 0.84 4.92 2.02 0.71 -4.98 117.35 123.04 1f8i s TYR 106 Ca 0.17 -0.63 -0.12 0.00 -0.37 0.00 0.00 57.07 56.12 1f8i s TYR 106 Cb -0.14 -0.53 0.09 0.00 -0.40 0.00 0.00 41.96 40.98 1f8i s TYR 106 CO 0.07 -0.04 1.15 -1.25 -1.57 0.00 0.00 175.55 173.90 1f8i s PRO 107 N -2.48 1.76 -1.30 -1.71 0.04 -1.26 -3.35 135.00 126.70 1f8i s PRO 107 Ca 0.01 0.28 -0.17 0.00 0.04 0.00 0.00 61.00 61.16 1f8i s PRO 107 Cb -0.04 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.60 1f8i s PRO 107 CO -0.00 -1.77 2.02 -3.47 0.04 0.00 0.00 177.00 173.82 1f8i n ASP 108 N -3.47 3.98 -2.31 6.66 2.03 -1.26 -4.62 116.55 117.56 1f8i n ASP 108 Ca 0.07 -2.83 -0.04 0.00 0.52 0.00 0.00 54.79 52.51 1f8i n ASP 108 Cb 0.59 -1.63 0.05 0.00 -0.72 0.00 0.00 41.12 39.42 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 7.08 1.85 -3.97 -0.67 6.02 -1.26 -1.97 117.38 124.47 1f8i n GLN 109 Ca 0.50 -3.40 -0.28 0.00 -0.01 0.00 0.00 57.00 53.82 1f8i n GLN 109 Cb 0.42 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 30.18 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 -0.48 -1.81 0.05 1.08 7.64 -1.26 -4.57 113.62 114.28 1f8i n SER 110 Ca 0.15 -0.94 0.08 0.00 1.01 0.00 0.00 58.87 59.17 1f8i n SER 110 Cb 0.89 -3.28 -0.06 0.00 -1.01 0.00 0.00 64.21 60.74 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 -4.43 0.63 -4.90 -3.43 4.77 -1.26 -4.97 117.00 103.41 1f8i n LEU 111 Ca -0.17 0.25 -0.29 0.00 -0.03 0.00 0.00 56.01 55.78 1f8i n LEU 111 Cb 0.62 0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.73 1f8i n LEU 111 CO 0.76 -0.05 0.59 -0.72 -1.33 0.00 0.00 177.39 176.65 1f8i s TYR 112 N -3.27 3.46 0.20 -1.77 -0.85 -1.26 -5.01 117.35 108.85 1f8i s TYR 112 Ca -0.03 0.93 -0.33 0.00 -0.52 0.00 0.00 57.07 57.13 1f8i s TYR 112 Cb 0.10 -2.65 -0.13 0.00 0.38 0.00 0.00 41.96 39.66 1f8i s TYR 112 CO 0.82 -0.68 1.64 -2.30 -1.52 0.00 0.00 175.55 173.52 1f8i n PRO 113 N -2.60 2.49 0.28 -3.49 -0.02 -1.26 -4.88 135.00 125.53 1f8i n PRO 113 Ca 0.04 0.90 0.14 0.00 -2.02 0.00 0.00 63.50 62.55 1f8i n PRO 113 Cb 0.56 -2.70 0.73 0.00 -0.02 0.00 0.00 33.50 32.06 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 6.17 1.24 -0.53 3.55 0.00 -1.97 -1.47 119.26 126.26 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 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1f8i h ALA 114 CO 0.91 -0.24 0.00 0.27 0.00 0.00 0.00 179.25 180.19 1f8i n ASN 115 N -2.65 3.65 -0.04 0.00 6.94 -1.26 -4.47 115.26 117.43 1f8i n ASN 115 Ca -0.02 -2.26 -0.13 0.00 -0.02 0.00 0.00 54.58 52.15 1f8i n ASN 115 Cb 0.31 -0.48 -0.08 0.00 -2.36 0.00 0.00 39.78 37.17 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 3.25 0.23 -0.35 0.53 0.02 -1.63 -2.83 113.55 112.77 1f8i h SER 116 Ca 0.00 -0.43 -0.03 0.00 -0.84 0.00 0.00 61.79 60.49 1f8i h SER 116 Cb 1.09 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.55 1f8i h SER 116 CO 0.14 0.61 0.10 0.58 -1.14 0.00 0.00 176.83 177.11 1f8i h VAL 117 N -0.14 1.22 -0.78 2.27 2.07 -1.83 -2.45 116.25 116.61 1f8i h VAL 117 Ca 0.02 -0.72 0.14 0.00 0.82 0.00 0.00 66.70 66.97 1f8i h VAL 117 Cb 0.52 1.03 -0.09 0.00 -1.52 0.00 0.00 31.29 31.23 1f8i h VAL 117 CO 0.02 0.25 0.34 -0.65 0.02 0.00 0.00 177.57 177.54 1f8i h PRO 118 N 0.41 0.48 -0.73 1.57 0.11 -1.84 0.41 132.00 132.42 1f8i h PRO 118 Ca 0.11 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.21 1f8i h PRO 118 Cb 0.28 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 31.24 1f8i h PRO 118 CO -0.00 0.32 0.47 1.96 -0.21 0.00 0.00 178.00 180.54 1f8i h GLN 119 N 0.50 0.92 -0.43 1.05 1.08 -1.23 -0.61 115.11 116.38 1f8i h GLN 119 Ca 0.43 -0.06 -0.08 0.00 -1.45 0.00 0.00 58.65 57.50 1f8i h GLN 119 Cb 0.63 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.84 1f8i h GLN 119 CO -0.39 0.61 -0.05 0.28 -0.95 0.00 0.00 178.83 178.33 1f8i h VAL 120 N 0.94 1.24 -0.24 -0.54 2.07 -0.61 0.60 116.25 119.72 1f8i h VAL 120 Ca 0.28 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 1f8i h VAL 120 Cb -0.05 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1f8i h VAL 120 CO -0.08 0.36 0.11 0.58 0.02 0.00 0.00 177.57 178.56 1f8i h VAL 121 N 0.67 1.14 -0.72 2.57 2.07 -0.23 0.30 116.25 122.06 1f8i h VAL 121 Ca 0.13 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1f8i h VAL 121 Cb 0.49 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 1f8i h VAL 121 CO 0.03 0.14 0.46 -0.09 0.02 0.00 0.00 177.57 178.12 1f8i h ARG 122 N 0.25 0.96 -0.39 1.57 9.65 -0.82 -0.71 114.38 124.88 1f8i h ARG 122 Ca 0.08 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 58.88 1f8i h ARG 122 Cb 0.12 -0.21 -0.02 0.00 -1.39 0.00 0.00 29.97 28.47 1f8i h ARG 122 CO -0.01 0.65 0.18 -0.09 2.80 0.00 0.00 179.97 183.50 1f8i h ARG 123 N 0.97 0.57 -0.34 0.20 9.65 -0.44 -0.89 114.38 124.10 1f8i h ARG 123 Ca 0.26 -0.09 -0.00 0.00 -1.10 0.00 0.00 59.98 59.05 1f8i h ARG 123 Cb -0.08 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.38 1f8i h ARG 123 CO -0.05 0.50 0.19 0.82 2.80 0.00 0.00 179.97 184.23 1f8i h ILE 124 N 0.49 1.13 -0.82 1.20 2.04 0.03 -1.34 117.51 120.24 1f8i h ILE 124 Ca 0.13 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 1f8i h ILE 124 Cb 0.13 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 1f8i h ILE 124 CO -0.02 0.13 0.51 0.78 0.00 0.00 0.00 178.15 179.56 1f8i h ASN 125 N 0.43 0.97 -0.71 1.72 2.35 -0.99 -1.21 115.58 118.15 1f8i h ASN 125 Ca 0.12 -0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.83 1f8i h ASN 125 Cb 0.04 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.13 1f8i h ASN 125 CO -0.02 0.73 0.46 0.78 -1.65 0.00 0.00 177.43 177.73 1f8i h ASN 126 N 1.12 0.78 -0.67 5.81 2.35 -0.76 0.08 115.58 124.29 1f8i h ASN 126 Ca 0.30 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.97 1f8i h ASN 126 Cb -0.07 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.08 1f8i h ASN 126 CO -0.06 0.56 0.16 0.00 -1.65 0.00 0.00 177.43 176.44 1f8i h ALA 127 N 1.27 0.89 -0.11 -0.83 0.00 -0.79 -1.77 119.26 117.91 1f8i h ALA 127 Ca 0.27 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1f8i h ALA 127 Cb -0.07 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1f8i h ALA 127 CO -0.07 0.61 -0.40 -0.07 0.00 0.00 0.00 179.25 179.32 1f8i h LEU 128 N 1.01 0.26 -0.70 0.00 3.38 -0.83 -2.32 115.31 116.11 1f8i h LEU 128 Ca 0.21 -0.10 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 1f8i h LEU 128 Cb 0.37 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1f8i h LEU 128 CO 0.00 0.64 -0.47 1.56 0.09 0.00 0.00 178.44 180.25 1f8i h GLN 129 N 0.21 0.43 -0.31 1.13 4.20 -0.61 -0.85 115.11 119.31 1f8i h GLN 129 Ca 0.02 -0.24 -0.08 0.00 0.06 0.00 0.00 58.65 58.41 1f8i h GLN 129 Cb 0.80 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 1f8i h GLN 129 CO 0.06 0.81 -0.11 -0.09 -0.67 0.00 0.00 178.83 178.84 1f8i h ARG 130 N 0.34 0.63 -0.89 1.46 9.65 -1.07 0.20 114.38 124.70 1f8i h ARG 130 Ca 0.02 -0.26 -0.01 0.00 -1.10 0.00 0.00 59.98 58.63 1f8i h ARG 130 Cb 0.96 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 29.47 1f8i h ARG 130 CO 0.08 0.83 0.51 0.00 2.80 0.00 0.00 179.97 184.19 1f8i h ALA 131 N 0.78 1.23 -0.29 2.80 0.00 -1.31 0.16 119.26 122.63 1f8i h ALA 131 Ca 0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1f8i h ALA 131 Cb 0.62 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1f8i h ALA 131 CO 0.04 0.64 0.12 0.22 0.00 0.00 0.00 179.25 180.26 1f8i h ASP 132 N 1.23 0.41 -0.55 0.00 3.58 -0.72 -0.45 116.42 119.93 1f8i h ASP 132 Ca 0.32 -0.17 -0.02 0.00 0.42 0.00 0.00 57.03 57.57 1f8i h ASP 132 Cb -0.02 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 40.90 1f8i h ASP 132 CO -0.06 0.47 0.26 1.56 -2.88 0.00 0.00 179.24 178.59 1f8i h GLN 133 N 0.33 0.79 -0.47 0.28 4.20 0.01 -2.24 115.11 118.01 1f8i h GLN 133 Ca 0.10 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 1f8i h GLN 133 Cb 0.19 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1f8i h GLN 133 CO -0.01 0.66 0.16 0.82 -0.67 0.00 0.00 178.83 179.79 1f8i h ILE 134 N 0.74 1.22 -0.68 2.54 2.04 -0.54 -2.78 117.51 120.05 1f8i h ILE 134 Ca 0.19 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 1f8i h ILE 134 Cb 0.13 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 1f8i h ILE 134 CO -0.02 0.26 0.39 0.00 0.00 0.00 0.00 178.15 178.77 1f8i h ALA 135 N 1.01 1.41 -0.38 1.87 0.00 -0.91 -1.18 119.26 121.08 1f8i h ALA 135 Ca 0.15 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1f8i h ALA 135 Cb 0.24 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1f8i h ALA 135 CO -0.01 0.50 0.11 -0.22 0.00 0.00 0.00 179.25 179.63 1f8i h LYS 136 N 0.93 0.60 0.00 0.00 3.64 -1.15 0.50 116.57 121.10 1f8i h LYS 136 Ca 0.24 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1f8i h LYS 136 Cb -0.01 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1f8i h LYS 136 CO -0.04 0.62 0.00 -0.84 -2.27 0.00 0.00 179.45 176.92 1f8i h ILE 137 N 0.47 0.00 -0.01 2.00 3.07 -1.25 -2.92 117.51 118.87 1f8i h ILE 137 Ca 0.12 -0.75 0.00 0.00 1.55 0.00 0.00 64.86 65.79 1f8i h ILE 137 Cb 0.27 1.73 0.00 0.00 -0.27 0.00 0.00 36.82 38.55 1f8i h ILE 137 CO -0.00 0.00 -0.14 -0.62 -1.05 0.00 0.00 178.15 176.34 1f8i n GLU 138 N -2.92 1.44 -1.54 0.16 1.02 -0.47 -4.91 120.64 113.41 1f8i n GLU 138 Ca 0.03 -0.95 -0.15 0.00 -0.02 0.00 0.00 57.16 56.07 1f8i n GLU 138 Cb 0.44 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 30.32 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 1.28 1.30 3.59 0.62 0.00 -0.53 -4.95 105.19 106.51 1f8i n GLY 139 Ca 0.15 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.78 6.63 -0.13 1.61 -1.08 0.05 -4.88 116.67 116.09 1f8i s ASP 140 Ca 0.00 0.43 0.15 0.00 -0.52 0.00 0.00 52.55 52.62 1f8i s ASP 140 Cb 0.00 -2.50 0.55 0.00 -1.46 0.00 0.00 42.92 39.51 1f8i s ASP 140 CO 0.00 -1.09 1.47 0.35 0.52 0.00 0.00 175.17 176.42 1f8i n THR 141 N 6.48 1.95 -0.34 1.71 -2.24 -1.26 -4.60 114.28 115.97 1f8i n THR 141 Ca 0.09 -1.48 0.15 0.00 -2.27 0.00 0.00 64.05 60.54 1f8i n THR 141 Cb 0.48 -0.00 0.36 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 2.59 0.73 -3.32 3.42 0.87 -1.97 -3.39 113.55 112.48 1f8i h SER 142 Ca 0.00 0.10 -0.66 0.00 -1.23 0.00 0.00 61.79 60.01 1f8i h SER 142 Cb 1.35 -0.02 -0.27 0.00 -0.44 0.00 0.00 62.40 63.01 1f8i h SER 142 CO 0.21 0.22 -0.75 -0.69 -0.53 0.00 0.00 176.83 175.29 1f8i s VAL 143 N -5.79 3.15 0.08 2.23 1.01 -1.26 -5.02 120.40 114.79 1f8i s VAL 143 Ca -0.11 -0.61 -0.16 0.00 0.00 0.00 0.00 61.98 61.11 1f8i s VAL 143 Cb 0.25 -2.36 -0.13 0.00 0.00 0.00 0.00 36.38 34.15 1f8i s VAL 143 CO 0.80 0.49 1.34 1.05 0.00 0.00 0.00 175.10 178.79 1f8i h GLU 144 N 7.19 0.64 -3.39 2.72 9.09 -1.97 -3.41 114.58 125.44 1f8i h GLU 144 Ca -0.32 -0.41 -0.57 0.00 0.05 0.00 0.00 59.36 58.11 1f8i h GLU 144 Cb 1.19 0.05 -0.40 0.00 -1.65 0.00 0.00 28.75 27.94 1f8i h GLU 144 CO 0.58 1.03 -0.76 1.21 0.05 0.00 0.00 179.01 181.12 1f8i s ASN 145 N -6.64 3.88 0.25 3.06 3.04 -1.26 -4.98 114.94 112.29 1f8i s ASN 145 Ca -0.12 -1.53 0.03 0.00 0.04 0.00 0.00 52.86 51.28 1f8i s ASN 145 Cb 0.08 -0.74 0.30 0.00 -1.54 0.00 0.00 41.25 39.35 1f8i s ASN 145 CO 0.83 -0.42 1.62 -0.50 -3.04 0.00 0.00 177.10 175.59 1f8i h TRP 146 N 8.17 0.43 -0.13 0.43 4.06 -1.91 -3.34 115.95 123.65 1f8i h TRP 146 Ca -0.15 -0.13 -0.71 0.00 2.06 0.00 0.00 58.89 59.95 1f8i h TRP 146 Cb 1.02 -0.09 -0.05 0.00 -1.00 0.00 0.00 29.16 29.04 1f8i h TRP 146 CO 0.34 0.76 3.02 1.28 -3.56 0.00 0.00 178.44 180.29 1f8i n LEU 147 N -3.98 6.74 -4.77 -4.49 4.77 -1.26 -4.89 117.00 109.12 1f8i n LEU 147 Ca -0.02 -4.16 -0.38 0.00 -0.03 0.00 0.00 56.01 51.42 1f8i n LEU 147 Cb 0.54 -1.66 -0.01 0.00 -2.33 0.00 0.00 43.42 39.97 1f8i n LEU 147 CO 0.44 1.07 0.89 0.00 -1.33 0.00 0.00 177.39 178.46 1f8i s ALA 148 N 3.10 3.12 0.45 -1.18 0.00 -1.26 -4.88 121.76 121.12 1f8i s ALA 148 Ca 0.47 1.09 -0.24 0.00 0.00 0.00 0.00 51.96 53.27 1f8i s ALA 148 Cb 0.13 -3.44 -0.07 0.00 0.00 0.00 0.00 23.12 19.74 1f8i s ALA 148 CO -0.07 -0.74 1.30 -1.25 0.00 0.00 0.00 175.76 175.00 1f8i s PRO 149 N -2.42 3.70 -0.17 0.00 0.04 -1.26 -4.71 135.00 130.17 1f8i s PRO 149 Ca 0.60 2.13 -0.03 0.00 0.04 0.00 0.00 61.00 63.74 1f8i s PRO 149 Cb -0.34 -2.56 -0.02 0.00 0.04 0.00 0.00 34.50 31.62 1f8i s PRO 149 CO 0.42 -0.71 -0.05 0.42 0.04 0.00 0.00 177.00 177.12 1f8i s ILE 150 N -1.32 3.61 -0.29 0.56 1.01 -1.26 -0.81 121.20 122.70 1f8i s ILE 150 Ca 0.62 -0.44 -0.08 0.00 0.00 0.00 0.00 60.65 60.75 1f8i s ILE 150 Cb -0.37 -2.59 -0.01 0.00 0.01 0.00 0.00 42.46 39.50 1f8i s ILE 150 CO 0.47 0.47 0.10 -0.69 0.00 0.00 0.00 174.94 175.29 1f8i s VAL 151 N 0.73 4.24 0.20 2.92 1.01 -0.36 -0.29 120.40 128.84 1f8i s VAL 151 Ca -0.02 -0.48 0.08 0.00 0.00 0.00 0.00 61.98 61.56 1f8i s VAL 151 Cb -0.15 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1f8i s VAL 151 CO 0.02 0.15 -0.03 0.00 0.00 0.00 0.00 175.10 175.24 1f8i s ALA 152 N 1.56 3.12 -0.29 5.51 0.00 0.91 -1.10 121.76 131.48 1f8i s ALA 152 Ca 0.04 -1.47 -0.29 0.00 0.00 0.00 0.00 51.96 50.24 1f8i s ALA 152 Cb -0.17 -0.86 0.01 0.00 0.00 0.00 0.00 23.12 22.10 1f8i s ALA 152 CO 0.04 0.42 1.08 0.34 0.00 0.00 0.00 175.76 177.63 1f8i s ASP 153 N -3.12 6.97 0.00 0.00 -1.08 -0.87 -1.71 116.67 116.86 1f8i s ASP 153 Ca 0.28 1.16 0.23 0.00 -0.52 0.00 0.00 52.55 53.70 1f8i s ASP 153 Cb -0.08 -2.54 0.12 0.00 -1.46 0.00 0.00 42.92 38.96 1f8i s ASP 153 CO 0.18 -0.83 1.19 0.61 0.52 0.00 0.00 175.17 176.85 1f8i n GLY 154 N 3.73 0.66 7.00 2.66 0.00 -0.07 -4.80 105.19 114.36 1f8i n GLY 154 Ca 0.12 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 0.89 0.00 -0.51 1.61 1.02 -1.22 -1.62 120.64 120.80 1f8i n GLU 155 Ca 0.12 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.34 1f8i n GLU 155 Cb 0.55 0.00 0.28 0.00 -0.02 0.00 0.00 31.44 32.25 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 10.33 3.05 0.00 0.62 0.00 -1.26 -1.17 120.51 132.08 1f8i n ALA 156 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 53.44 51.45 1f8i n ALA 156 Cb 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 0.03 1.99 3.23 0.00 0.00 -0.64 -4.27 105.19 105.53 1f8i n GLY 157 Ca 0.22 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.31 0.00 1.61 3.72 -1.26 -3.35 117.46 113.87 1f8i n PHE 158 Ca 0.00 0.72 0.00 0.00 -0.05 0.00 0.00 57.45 58.12 1f8i n PHE 158 Cb 0.00 -4.67 0.00 0.00 -0.94 0.00 0.00 39.48 33.87 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 -1.71 0.48 0.00 1.37 0.00 -1.26 -4.86 105.19 99.21 1f8i n GLY 159 Ca -0.06 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.65 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 0.22 0.25 -0.02 0.00 -1.26 -4.83 105.19 99.55 1f8i n GLY 160 Ca 0.00 -1.83 0.05 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.29 1.74 -0.14 4.61 0.00 -1.95 -1.53 119.26 120.71 1f8i h ALA 161 Ca 0.00 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 1f8i h ALA 161 Cb 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1f8i h ALA 161 CO 0.00 0.19 -0.63 -0.07 0.00 0.00 0.00 179.25 178.74 1f8i h LEU 162 N 0.14 0.57 -0.60 0.00 3.38 -1.96 -0.02 115.31 116.82 1f8i h LEU 162 Ca 0.03 -0.33 -0.13 0.00 0.09 0.00 0.00 57.88 57.54 1f8i h LEU 162 Cb 0.18 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1f8i h LEU 162 CO 0.01 1.05 -0.28 0.78 0.09 0.00 0.00 178.44 180.09 1f8i h ASN 163 N 0.36 0.84 -0.12 -0.43 2.35 -1.67 -1.60 115.58 115.31 1f8i h ASN 163 Ca -0.01 -0.33 -0.00 0.00 -0.55 0.00 0.00 56.30 55.41 1f8i h ASN 163 Cb 1.19 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.32 1f8i h ASN 163 CO 0.11 1.06 0.07 0.58 -1.65 0.00 0.00 177.43 177.60 1f8i h VAL 164 N 0.69 1.07 -0.42 2.81 2.07 -1.11 -1.70 116.25 119.65 1f8i h VAL 164 Ca 0.08 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.49 1f8i h VAL 164 Cb 0.81 0.98 -0.05 0.00 -1.52 0.00 0.00 31.29 31.51 1f8i h VAL 164 CO 0.07 0.06 0.12 0.22 0.02 0.00 0.00 177.57 178.06 1f8i h TYR 165 N 0.12 0.20 -0.39 1.57 5.03 -0.70 -1.18 116.97 121.62 1f8i h TYR 165 Ca 0.04 0.02 -0.09 0.00 2.58 0.00 0.00 58.73 61.28 1f8i h TYR 165 Cb 0.04 -0.03 -0.02 0.00 1.55 0.00 0.00 36.73 38.27 1f8i h TYR 165 CO -0.05 0.06 -0.14 0.93 -1.32 0.00 0.00 178.16 177.63 1f8i h GLU 166 N 0.27 0.71 -0.23 1.82 4.39 -1.15 -1.28 114.58 119.10 1f8i h GLU 166 Ca 0.20 -0.24 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1f8i h GLU 166 Cb 0.22 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1f8i h GLU 166 CO -0.23 0.82 0.03 1.25 -1.16 0.00 0.00 179.01 179.72 1f8i h LEU 167 N 0.64 0.37 -0.58 1.33 5.85 -0.79 0.22 115.31 122.35 1f8i h LEU 167 Ca 0.11 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1f8i h LEU 167 Cb 0.61 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1f8i h LEU 167 CO 0.04 0.55 0.37 -0.61 -0.34 0.00 0.00 178.44 178.45 1f8i h GLN 168 N 0.18 0.77 -0.74 1.25 5.75 -1.12 0.27 115.11 121.48 1f8i h GLN 168 Ca 0.07 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.49 1f8i h GLN 168 Cb 0.34 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.69 1f8i h GLN 168 CO 0.01 0.53 0.37 -0.22 -2.65 0.00 0.00 178.83 176.86 1f8i h LYS 169 N 0.78 1.05 -0.40 1.69 3.64 -1.06 -1.21 116.57 121.07 1f8i h LYS 169 Ca 0.21 -0.15 -0.13 0.00 -1.27 0.00 0.00 60.65 59.32 1f8i h LYS 169 Cb -0.06 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.55 1f8i h LYS 169 CO -0.04 0.81 -0.27 0.00 -2.27 0.00 0.00 179.45 177.68 1f8i h ALA 170 N 1.19 0.77 -0.66 5.00 0.00 -0.51 -1.87 119.26 123.18 1f8i h ALA 170 Ca 0.26 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1f8i h ALA 170 Cb 0.09 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1f8i h ALA 170 CO -0.03 0.65 0.26 -0.07 0.00 0.00 0.00 179.25 180.06 1f8i h LEU 171 N 0.72 0.92 -0.23 0.00 3.38 -0.65 -2.43 115.31 117.01 1f8i h LEU 171 Ca 0.09 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1f8i h LEU 171 Cb 0.81 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1f8i h LEU 171 CO 0.07 0.84 0.04 0.40 0.09 0.00 0.00 178.44 179.88 1f8i h ILE 172 N 0.94 1.22 -0.09 1.22 2.04 -1.10 -1.00 117.51 120.74 1f8i h ILE 172 Ca 0.22 -0.74 0.03 0.00 1.00 0.00 0.00 64.86 65.37 1f8i h ILE 172 Cb 0.22 1.26 -0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1f8i h ILE 172 CO -0.02 0.23 0.07 0.00 0.00 0.00 0.00 178.15 178.44 1f8i h ALA 173 N 0.85 1.99 -0.00 1.87 0.00 -1.19 0.20 119.26 122.98 1f8i h ALA 173 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1f8i h ALA 173 Cb 0.31 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1f8i h ALA 173 CO 0.00 -0.12 -0.15 0.00 0.00 0.00 0.00 179.25 178.98 1f8i n ALA 174 N -2.51 2.74 -0.13 0.00 0.00 -0.93 -4.94 120.51 114.74 1f8i n ALA 174 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1f8i n ALA 174 Cb 0.18 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.28 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 1.45 1.37 3.77 0.00 0.00 0.70 -3.83 105.19 108.65 1f8i n GLY 175 Ca 0.08 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 3.08 -0.18 1.61 0.11 -0.42 -4.04 120.40 118.56 1f8i s VAL 176 Ca 0.00 0.56 0.10 0.00 -2.93 0.00 0.00 61.98 59.71 1f8i s VAL 176 Cb 0.00 -3.12 -0.18 0.00 -1.53 0.00 0.00 36.38 31.55 1f8i s VAL 176 CO 0.00 -0.25 -0.04 0.00 -3.33 0.00 0.00 175.10 171.48 1f8i n ALA 177 N -2.08 1.57 -3.08 1.54 0.00 0.60 -4.38 120.51 114.68 1f8i n ALA 177 Ca 0.11 -1.03 -0.12 0.00 0.00 0.00 0.00 53.44 52.40 1f8i n ALA 177 Cb 0.51 -0.06 -0.07 0.00 0.00 0.00 0.00 19.45 19.83 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 -5.45 -0.19 -0.03 0.00 0.00 -0.41 -1.35 107.32 99.89 1f8i s GLY 178 Ca -0.16 0.15 -0.04 0.00 0.00 0.00 0.00 44.72 44.67 1f8i s GLY 178 CO 0.61 -0.09 0.10 -1.35 0.00 0.00 0.00 173.10 172.37 1f8i s SER 179 N -2.01 -0.06 0.09 1.64 1.04 -0.33 -0.06 113.70 114.01 1f8i s SER 179 Ca -0.05 0.08 0.07 0.00 0.48 0.00 0.00 55.95 56.53 1f8i s SER 179 Cb -0.01 0.20 -0.04 0.00 0.10 0.00 0.00 66.02 66.27 1f8i s SER 179 CO -0.03 -0.11 -0.11 -1.38 0.98 0.00 0.00 173.24 172.59 1f8i s HIS 180 N -0.30 2.72 -0.02 5.02 -3.43 -0.69 -1.12 115.29 117.47 1f8i s HIS 180 Ca -0.04 -0.16 0.01 0.00 -0.80 0.00 0.00 55.06 54.07 1f8i s HIS 180 Cb -0.03 -1.45 0.01 0.00 -1.43 0.00 0.00 32.58 29.69 1f8i s HIS 180 CO 0.00 0.40 -0.04 -1.58 -2.00 0.00 0.00 174.74 171.52 1f8i s TRP 181 N -1.16 0.55 0.13 0.38 0.52 -0.42 -0.90 118.94 118.05 1f8i s TRP 181 Ca 0.20 -0.11 0.05 0.00 0.02 0.00 0.00 56.10 56.25 1f8i s TRP 181 Cb -0.11 -0.45 -0.04 0.00 -1.15 0.00 0.00 33.47 31.72 1f8i s TRP 181 CO 0.12 -0.09 0.08 -1.83 0.02 0.00 0.00 176.95 175.25 1f8i s GLU 182 N 0.41 2.76 -0.29 4.98 -1.05 -0.32 -0.60 118.70 124.60 1f8i s GLU 182 Ca -0.05 -0.85 -0.04 0.00 -0.15 0.00 0.00 54.97 53.88 1f8i s GLU 182 Cb -0.08 -2.61 -0.01 0.00 -0.44 0.00 0.00 34.13 30.99 1f8i s GLU 182 CO -0.00 0.51 2.85 -0.40 0.95 0.00 0.00 175.26 179.17 1f8i n ASP 183 N 0.04 6.10 -4.73 0.83 5.68 -0.95 -4.61 116.55 118.91 1f8i n ASP 183 Ca -0.09 -2.96 -0.23 0.00 -0.50 0.00 0.00 54.79 51.01 1f8i n ASP 183 Cb 0.53 -1.25 -0.06 0.00 -1.14 0.00 0.00 41.12 39.20 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 -0.94 2.61 -0.17 0.11 -0.21 -1.26 -1.93 119.66 117.88 1f8i s GLN 184 Ca 0.54 -1.19 -0.29 0.00 0.02 0.00 0.00 55.36 54.44 1f8i s GLN 184 Cb 0.33 -2.39 -0.02 0.00 1.00 0.00 0.00 33.01 31.93 1f8i s GLN 184 CO -0.12 0.40 1.31 -1.17 -2.12 0.00 0.00 175.29 173.59 1f8i s LEU 185 N -3.60 4.17 0.19 2.90 2.96 0.18 -4.69 118.68 120.79 1f8i s LEU 185 Ca 0.31 1.71 -0.14 0.00 -0.22 0.00 0.00 54.13 55.79 1f8i s LEU 185 Cb -0.08 -3.54 0.20 0.00 0.50 0.00 0.00 46.19 43.27 1f8i s LEU 185 CO 0.22 -0.81 1.65 0.00 -1.32 0.00 0.00 176.35 176.09 1f8i h ALA 186 N 8.46 0.40 0.00 5.97 0.00 -1.88 0.34 119.26 132.55 1f8i h ALA 186 Ca -0.28 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1f8i h ALA 186 Cb 1.11 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1f8i h ALA 186 CO 0.97 -0.43 0.00 0.66 0.00 0.00 0.00 179.25 180.46 1f8i h SER 187 N 0.02 0.00 0.00 0.00 4.64 -1.95 -2.39 113.55 113.88 1f8i h SER 187 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1f8i h SER 187 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1f8i h SER 187 CO -0.54 0.00 -0.05 -0.62 -0.87 0.00 0.00 176.83 174.75 1f8i n GLU 188 N -2.84 1.56 -1.52 4.77 -0.58 -0.46 -5.07 120.64 116.49 1f8i n GLU 188 Ca -0.02 -2.02 -0.53 0.00 -0.42 0.00 0.00 57.16 54.17 1f8i n GLU 188 Cb 0.11 -1.21 -0.06 0.00 -0.57 0.00 0.00 31.44 29.71 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 -0.96 0.51 -4.26 3.49 0.00 -0.02 -4.63 118.16 112.28 1f8i n LYS 189 Ca 0.09 0.18 -0.18 0.00 0.00 0.00 0.00 58.31 58.40 1f8i n LYS 189 Cb 0.53 -1.62 -0.11 0.00 0.00 0.00 0.00 35.03 33.84 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 -0.21 1.08 0.60 1.64 -0.14 -1.26 -4.25 119.74 117.20 1f8i s LYS 190 Ca 0.80 -1.30 -0.19 0.00 -1.36 0.00 0.00 55.97 53.92 1f8i s LYS 190 Cb -1.04 -0.94 -0.03 0.00 -1.68 0.00 0.00 37.83 34.13 1f8i s LYS 190 CO 0.54 0.18 1.25 0.45 -0.76 0.00 0.00 175.35 177.01 1f8i s SER 191 N -2.61 5.03 0.55 2.83 0.15 -0.83 -4.86 113.70 113.96 1f8i s SER 191 Ca 0.11 2.50 0.27 0.00 0.70 0.00 0.00 55.95 59.54 1f8i s SER 191 Cb -0.04 -2.61 1.46 0.00 -1.71 0.00 0.00 66.02 63.12 1f8i s SER 191 CO 0.03 -1.71 1.98 1.23 1.20 0.00 0.00 173.24 175.97 1f8i h GLY 192 N 0.86 0.00 -2.01 9.45 0.00 -2.00 -1.81 103.07 107.56 1f8i h GLY 192 Ca -0.51 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.74 1f8i h GLY 192 CO 0.55 0.00 0.02 1.42 0.00 0.00 0.00 176.54 178.53 1f8i n HIS 193 N -4.12 1.20 -4.22 5.60 8.25 -1.26 -4.91 115.22 115.76 1f8i n HIS 193 Ca 0.09 -1.13 -0.25 0.00 -0.26 0.00 0.00 57.72 56.17 1f8i n HIS 193 Cb 0.62 -0.42 -0.07 0.00 1.12 0.00 0.00 29.99 31.24 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 -2.97 3.35 0.00 2.41 1.43 -0.68 -5.14 118.68 117.07 1f8i s LEU 194 Ca 0.45 -0.46 -0.07 0.00 -1.03 0.00 0.00 54.13 53.01 1f8i s LEU 194 Cb 0.37 -1.93 0.15 0.00 0.03 0.00 0.00 46.19 44.81 1f8i s LEU 194 CO 0.07 0.04 0.97 0.61 0.23 0.00 0.00 176.35 178.27 1f8i n GLY 195 N -0.57 -0.39 2.21 -3.19 0.00 -1.26 -4.55 105.19 97.44 1f8i n GLY 195 Ca -0.08 -1.86 -0.09 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.84 0.43 3.76 -0.02 0.00 -1.26 -4.93 105.19 101.33 1f8i n GLY 196 Ca 0.14 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.77 4.73 -0.15 1.61 1.02 -1.26 -4.90 119.74 117.02 1f8i s LYS 197 Ca 0.00 1.56 0.01 0.00 0.02 0.00 0.00 55.97 57.57 1f8i s LYS 197 Cb 0.00 -3.16 0.02 0.00 -0.52 0.00 0.00 37.83 34.17 1f8i s LYS 197 CO 0.00 0.37 -0.18 0.08 -0.92 0.00 0.00 175.35 174.70 1f8i s VAL 198 N -1.25 1.82 0.50 3.17 1.01 -1.26 -3.81 120.40 120.58 1f8i s VAL 198 Ca 0.44 -0.81 -0.08 0.00 0.00 0.00 0.00 61.98 61.53 1f8i s VAL 198 Cb -0.27 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1f8i s VAL 198 CO 0.33 0.50 0.84 -0.76 0.00 0.00 0.00 175.10 176.01 1f8i s LEU 199 N 1.14 3.59 0.28 3.92 1.43 0.71 -0.64 118.68 129.11 1f8i s LEU 199 Ca -0.01 1.08 0.09 0.00 -1.03 0.00 0.00 54.13 54.26 1f8i s LEU 199 Cb -0.14 -4.04 -0.04 0.00 0.03 0.00 0.00 46.19 42.00 1f8i s LEU 199 CO -0.07 -0.60 0.05 0.27 0.23 0.00 0.00 176.35 176.23 1f8i s ILE 200 N -2.76 3.46 0.54 -0.59 -5.25 -0.81 -0.59 121.20 115.21 1f8i s ILE 200 Ca 0.50 -1.80 -0.20 0.00 -0.99 0.00 0.00 60.65 58.15 1f8i s ILE 200 Cb -0.10 -2.94 -0.07 0.00 2.95 0.00 0.00 42.46 42.29 1f8i s ILE 200 CO 0.44 -0.33 0.89 -2.65 -1.79 0.00 0.00 174.94 171.50 1f8i n PRO 201 N -0.99 0.96 -0.27 0.37 -0.02 -1.26 -4.81 135.00 128.97 1f8i n PRO 201 Ca -0.06 0.36 0.05 0.00 -2.02 0.00 0.00 63.50 61.83 1f8i n PRO 201 Cb 0.59 -2.03 0.19 0.00 -0.02 0.00 0.00 33.50 32.23 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 0.76 0.76 0.00 3.45 2.02 -1.95 -0.09 112.91 117.85 1f8i h THR 202 Ca -0.47 -0.20 -0.07 0.00 0.77 0.00 0.00 66.41 66.44 1f8i h THR 202 Cb 1.36 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 1f8i h THR 202 CO 0.52 0.11 -0.34 -0.61 0.37 0.00 0.00 175.52 175.56 1f8i h GLN 203 N 0.59 0.00 -0.45 6.66 5.75 -1.99 -2.46 115.11 123.21 1f8i h GLN 203 Ca 0.41 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.81 1f8i h GLN 203 Cb 0.54 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.08 1f8i h GLN 203 CO -0.34 0.34 -0.15 0.37 -2.65 0.00 0.00 178.83 176.40 1f8i h GLN 204 N 0.00 0.85 0.00 1.69 4.15 -1.36 -1.22 115.11 119.21 1f8i h GLN 204 Ca -0.00 -0.31 -0.08 0.00 0.77 0.00 0.00 58.65 59.02 1f8i h GLN 204 Cb 0.62 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 1f8i h GLN 204 CO 0.04 0.94 -0.39 1.25 -1.93 0.00 0.00 178.83 178.75 1f8i h HIS 205 N 0.75 0.00 -0.26 3.99 2.76 -1.07 -2.08 115.15 119.24 1f8i h HIS 205 Ca 0.12 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.16 1f8i h HIS 205 Cb 0.67 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.62 1f8i h HIS 205 CO 0.04 0.39 -0.37 0.82 -1.30 0.00 0.00 177.93 177.51 1f8i h ILE 206 N 0.00 1.29 -0.52 6.26 2.04 -0.98 -0.20 117.51 125.41 1f8i h ILE 206 Ca -0.00 -1.51 -0.06 0.00 1.00 0.00 0.00 64.86 64.28 1f8i h ILE 206 Cb 0.93 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 38.47 1f8i h ILE 206 CO 0.05 0.48 0.09 0.03 0.00 0.00 0.00 178.15 178.80 1f8i h ARG 207 N 0.50 0.81 0.04 2.37 3.08 -0.72 0.29 114.38 120.74 1f8i h ARG 207 Ca 0.05 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 1f8i h ARG 207 Cb 0.87 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.80 1f8i h ARG 207 CO 0.07 0.76 -0.02 1.15 -1.07 0.00 0.00 179.97 180.86 1f8i h THR 208 N 0.77 1.10 -0.85 2.04 2.02 -0.71 0.61 112.91 117.89 1f8i h THR 208 Ca 0.16 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 1f8i h THR 208 Cb 0.34 1.40 -0.04 0.00 -1.74 0.00 0.00 68.15 68.11 1f8i h THR 208 CO 0.01 0.11 0.50 -0.07 0.37 0.00 0.00 175.52 176.44 1f8i h LEU 209 N -0.25 1.03 -0.64 2.58 3.38 -0.84 0.71 115.31 121.27 1f8i h LEU 209 Ca -0.01 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1f8i h LEU 209 Cb 0.23 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1f8i h LEU 209 CO 0.01 0.80 0.29 0.74 0.09 0.00 0.00 178.44 180.37 1f8i h THR 210 N 1.17 1.22 -0.60 0.22 2.02 -0.75 -0.85 112.91 115.34 1f8i h THR 210 Ca 0.30 -0.65 -0.09 0.00 0.77 0.00 0.00 66.41 66.74 1f8i h THR 210 Cb -0.03 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 1f8i h THR 210 CO -0.06 0.26 0.01 -1.28 0.37 0.00 0.00 175.52 174.83 1f8i h SER 211 N 0.88 1.02 -0.51 4.18 0.87 -0.03 0.07 113.55 120.02 1f8i h SER 211 Ca 0.22 -0.28 -0.07 0.00 -1.23 0.00 0.00 61.79 60.43 1f8i h SER 211 Cb 0.14 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 1f8i h SER 211 CO -0.02 1.06 0.08 0.00 -0.53 0.00 0.00 176.83 177.42 1f8i h ALA 212 N 1.04 1.08 -0.16 6.23 0.00 -0.46 -1.94 119.26 125.05 1f8i h ALA 212 Ca 0.17 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1f8i h ALA 212 Cb 0.53 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1f8i h ALA 212 CO 0.03 0.59 -0.11 -0.09 0.00 0.00 0.00 179.25 179.67 1f8i h ARG 213 N 0.86 0.35 -0.71 0.00 9.65 -0.81 -2.80 114.38 120.92 1f8i h ARG 213 Ca 0.18 -0.17 0.08 0.00 -1.10 0.00 0.00 59.98 58.97 1f8i h ARG 213 Cb 0.39 -0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 28.90 1f8i h ARG 213 CO 0.01 0.69 0.37 1.25 2.80 0.00 0.00 179.97 185.10 1f8i h LEU 214 N 0.00 0.52 -0.54 3.80 5.85 -0.79 -0.35 115.31 123.80 1f8i h LEU 214 Ca 0.03 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1f8i h LEU 214 Cb 0.61 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1f8i h LEU 214 CO 0.03 0.31 0.35 0.00 -0.34 0.00 0.00 178.44 178.79 1f8i h ALA 215 N 1.40 0.68 -0.44 1.25 0.00 -1.35 -0.14 119.26 120.66 1f8i h ALA 215 Ca 0.34 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1f8i h ALA 215 Cb 0.30 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1f8i h ALA 215 CO -0.23 0.13 0.27 0.00 0.00 0.00 0.00 179.25 179.41 1f8i h ALA 216 N 1.19 0.56 -0.74 0.00 0.00 -1.06 -1.32 119.26 117.90 1f8i h ALA 216 Ca 0.20 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1f8i h ALA 216 Cb -0.07 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1f8i h ALA 216 CO -0.04 0.06 0.23 -0.44 0.00 0.00 0.00 179.25 179.05 1f8i h ASP 217 N 0.59 1.08 0.64 0.00 3.32 -0.67 -0.43 116.42 120.94 1f8i h ASP 217 Ca 0.16 -0.21 -0.06 0.00 0.02 0.00 0.00 57.03 56.94 1f8i h ASP 217 Cb -0.00 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 1f8i h ASP 217 CO -0.03 1.01 -0.29 0.58 -1.72 0.00 0.00 179.24 178.78 1f8i h VAL 218 N 1.10 0.84 -0.12 -1.35 2.07 -0.84 -0.35 116.25 117.60 1f8i h VAL 218 Ca 0.24 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.58 1f8i h VAL 218 Cb 0.32 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1f8i h VAL 218 CO -0.01 0.29 0.00 0.00 0.02 0.00 0.00 177.57 177.87 1f8i n ALA 219 N -2.32 2.52 -3.82 1.67 0.00 -0.51 -4.87 120.51 113.18 1f8i n ALA 219 Ca -0.01 -0.55 -0.25 0.00 0.00 0.00 0.00 53.44 52.63 1f8i n ALA 219 Cb 0.41 -1.07 0.01 0.00 0.00 0.00 0.00 19.45 18.79 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 0.46 -1.56 -3.86 0.00 2.03 -0.14 -4.75 116.55 108.73 1f8i n ASP 220 Ca 0.17 -0.95 -0.12 0.00 0.52 0.00 0.00 54.79 54.41 1f8i n ASP 220 Cb 0.38 -3.42 -0.12 0.00 -0.72 0.00 0.00 41.12 37.25 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 -3.78 0.03 0.00 5.18 -7.23 -0.65 -4.95 120.40 108.99 1f8i s VAL 221 Ca 0.10 -0.22 -0.04 0.00 -1.81 0.00 0.00 61.98 60.01 1f8i s VAL 221 Cb -0.03 -0.21 -0.18 0.00 0.56 0.00 0.00 36.38 36.51 1f8i s VAL 221 CO 0.86 -0.12 3.01 -0.81 -0.31 0.00 0.00 175.10 177.74 1f8i n PRO 222 N 2.60 1.62 -1.62 4.82 -0.04 -1.26 -4.32 135.00 136.80 1f8i n PRO 222 Ca -0.15 -0.66 -0.50 0.00 -0.04 0.00 0.00 63.50 62.15 1f8i n PRO 222 Cb 0.58 -1.68 -0.05 0.00 -0.04 0.00 0.00 33.50 32.31 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 2.20 0.01 -2.20 0.52 -1.04 -1.26 -4.79 114.28 107.72 1f8i n THR 223 Ca 0.28 -0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.86 1f8i n THR 223 Cb 0.76 -1.08 -0.02 0.00 -1.82 0.00 0.00 70.33 68.16 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 0.74 3.89 -0.26 12.58 1.01 -0.46 -4.95 120.40 132.95 1f8i s VAL 224 Ca 0.83 1.06 -0.10 0.00 0.00 0.00 0.00 61.98 63.77 1f8i s VAL 224 Cb -0.86 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 31.74 1f8i s VAL 224 CO 0.44 -0.15 0.16 -0.69 0.00 0.00 0.00 175.10 174.86 1f8i s VAL 225 N 4.04 5.12 -0.15 2.92 1.01 -1.26 -1.19 120.40 130.89 1f8i s VAL 225 Ca 0.65 0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.70 1f8i s VAL 225 Cb -0.27 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 1f8i s VAL 225 CO 0.23 0.29 -0.05 -0.63 0.00 0.00 0.00 175.10 174.94 1f8i s ILE 226 N 1.58 3.77 -0.21 2.22 1.01 -0.27 0.39 121.20 129.69 1f8i s ILE 226 Ca 0.07 -0.40 -0.09 0.00 0.00 0.00 0.00 60.65 60.23 1f8i s ILE 226 Cb -0.15 -2.65 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 1f8i s ILE 226 CO 0.08 0.50 0.10 0.00 0.00 0.00 0.00 174.94 175.62 1f8i s ALA 227 N 0.39 3.46 -0.03 9.38 0.00 -0.04 -1.30 121.76 133.62 1f8i s ALA 227 Ca -0.05 -0.84 0.07 0.00 0.00 0.00 0.00 51.96 51.15 1f8i s ALA 227 Cb -0.14 -2.09 -0.02 0.00 0.00 0.00 0.00 23.12 20.87 1f8i s ALA 227 CO 0.03 -0.03 -0.26 0.50 0.00 0.00 0.00 175.76 176.01 1f8i s ARG 228 N 0.75 2.26 -0.02 0.00 3.52 0.24 -0.16 118.95 125.52 1f8i s ARG 228 Ca 0.05 -0.92 0.08 0.00 -0.13 0.00 0.00 55.73 54.81 1f8i s ARG 228 Cb -0.13 -2.08 -0.02 0.00 -1.56 0.00 0.00 34.95 31.16 1f8i s ARG 228 CO 0.02 0.50 -0.26 -0.08 -0.81 0.00 0.00 175.30 174.67 1f8i s THR 229 N -0.45 2.04 -0.31 4.11 -1.32 -0.20 -2.23 115.64 117.28 1f8i s THR 229 Ca 0.05 -1.10 0.15 0.00 -1.21 0.00 0.00 61.69 59.59 1f8i s THR 229 Cb -0.11 -1.70 0.47 0.00 -1.51 0.00 0.00 72.50 69.65 1f8i s THR 229 CO 0.01 0.58 1.38 0.47 -2.21 0.00 0.00 174.62 174.84 1f8i n ASP 230 N 2.51 3.63 0.00 8.08 8.00 -1.26 -2.49 116.55 135.02 1f8i n ASP 230 Ca -0.16 -2.82 0.07 0.00 0.71 0.00 0.00 54.79 52.59 1f8i n ASP 230 Cb 0.51 -0.48 0.34 0.00 -0.02 0.00 0.00 41.12 41.48 1f8i n ASP 230 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f8i n ALA 231 N -0.36 1.75 -0.14 2.24 0.00 -1.26 -2.23 120.51 120.51 1f8i n ALA 231 Ca 0.19 -0.06 -0.10 0.00 0.00 0.00 0.00 53.44 53.47 1f8i n ALA 231 Cb 0.79 -1.24 -0.01 0.00 0.00 0.00 0.00 19.45 18.99 1f8i n ALA 231 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1f8i h GLU 232 N 0.00 0.72 0.00 0.00 4.22 -1.80 -2.54 114.58 115.18 1f8i h GLU 232 Ca 0.00 -0.22 0.00 0.00 0.08 0.00 0.00 59.36 59.22 1f8i h GLU 232 Cb 0.19 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1f8i h GLU 232 CO 0.00 0.79 -1.29 0.00 -2.18 0.00 0.00 179.01 176.33 1f8i n ALA 233 N -2.40 2.26 -1.83 2.92 0.00 -1.21 -1.94 120.51 118.31 1f8i n ALA 233 Ca -0.01 -0.16 -0.42 0.00 0.00 0.00 0.00 53.44 52.85 1f8i n ALA 233 Cb 0.28 -0.23 -0.03 0.00 0.00 0.00 0.00 19.45 19.47 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 -2.45 3.77 -0.65 0.00 0.00 -0.95 -4.88 121.76 116.60 1f8i s ALA 234 Ca -0.02 1.38 0.12 0.00 0.00 0.00 0.00 51.96 53.43 1f8i s ALA 234 Cb 0.04 -3.70 0.35 0.00 0.00 0.00 0.00 23.12 19.81 1f8i s ALA 234 CO 0.28 -1.05 1.28 0.25 0.00 0.00 0.00 175.76 176.52 1f8i n THR 235 N 4.47 1.37 -4.10 0.00 -2.24 -1.26 -4.10 114.28 108.42 1f8i n THR 235 Ca 0.16 -1.27 -0.14 0.00 -2.27 0.00 0.00 64.05 60.53 1f8i n THR 235 Cb 0.38 0.28 -0.12 0.00 -2.10 0.00 0.00 70.33 68.77 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 -1.54 2.18 0.01 3.22 1.43 -1.25 -1.27 118.68 121.46 1f8i s LEU 236 Ca 0.27 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 1f8i s LEU 236 Cb 0.18 -0.21 -0.01 0.00 0.03 0.00 0.00 46.19 46.17 1f8i s LEU 236 CO 0.13 -0.11 -0.02 -0.51 0.23 0.00 0.00 176.35 176.06 1f8i s ILE 237 N -0.98 0.08 0.22 -0.59 2.07 -0.04 -0.21 121.20 121.75 1f8i s ILE 237 Ca -0.06 -0.65 -0.04 0.00 -1.41 0.00 0.00 60.65 58.50 1f8i s ILE 237 Cb -0.08 -0.19 0.05 0.00 0.13 0.00 0.00 42.46 42.38 1f8i s ILE 237 CO 0.00 -0.36 1.65 0.71 -1.91 0.00 0.00 174.94 175.04 1f8i h THR 238 N 4.79 1.27 -3.72 4.00 1.35 -1.15 -0.23 112.91 119.22 1f8i h THR 238 Ca -0.30 -1.28 -0.08 0.00 -0.55 0.00 0.00 66.41 64.21 1f8i h THR 238 Cb 1.21 1.15 -0.13 0.00 -1.73 0.00 0.00 68.15 68.65 1f8i h THR 238 CO 0.44 0.43 -0.28 -0.55 -0.25 0.00 0.00 175.52 175.31 1f8i s SER 239 N -6.73 0.01 -0.10 5.36 0.15 -1.26 -4.54 113.70 106.60 1f8i s SER 239 Ca -0.09 -0.64 0.15 0.00 0.70 0.00 0.00 55.95 56.07 1f8i s SER 239 Cb 0.13 0.40 0.48 0.00 -1.71 0.00 0.00 66.02 65.33 1f8i s SER 239 CO 0.83 -0.81 1.40 -0.90 1.20 0.00 0.00 173.24 174.96 1f8i n ASP 240 N -0.14 3.71 -0.05 5.45 5.75 -1.26 -4.66 116.55 125.35 1f8i n ASP 240 Ca -0.13 -2.50 0.06 0.00 -0.01 0.00 0.00 54.79 52.20 1f8i n ASP 240 Cb 0.63 -0.43 0.43 0.00 -1.03 0.00 0.00 41.12 40.71 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 2.37 1.05 -3.27 2.12 3.04 -2.00 -3.42 116.25 116.15 1f8i h VAL 241 Ca 0.00 -0.19 -0.59 0.00 -1.01 0.00 0.00 66.70 64.91 1f8i h VAL 241 Cb 1.18 0.44 -0.08 0.00 -2.01 0.00 0.00 31.29 30.82 1f8i h VAL 241 CO 0.14 0.10 0.47 -0.62 -1.01 0.00 0.00 177.57 176.65 1f8i s ASP 242 N -6.52 6.90 0.55 3.17 -1.08 -1.26 -4.93 116.67 113.50 1f8i s ASP 242 Ca -0.08 1.12 0.24 0.00 -0.52 0.00 0.00 52.55 53.30 1f8i s ASP 242 Cb 0.18 -2.45 1.45 0.00 -1.46 0.00 0.00 42.92 40.64 1f8i s ASP 242 CO 0.74 -0.48 2.07 -0.33 0.52 0.00 0.00 175.17 177.69 1f8i h GLU 243 N 7.52 0.00 0.00 4.34 5.08 -2.00 -0.46 114.58 129.06 1f8i h GLU 243 Ca -0.25 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.08 1f8i h GLU 243 Cb 1.10 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 1f8i h GLU 243 CO 0.87 0.00 -0.13 0.00 -1.00 0.00 0.00 179.01 178.75 1f8i h ARG 244 N 0.00 0.00 0.00 2.33 3.08 -1.95 -3.14 114.38 114.71 1f8i h ARG 244 Ca 0.13 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.96 1f8i h ARG 244 Cb 0.57 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.58 1f8i h ARG 244 CO -0.00 0.13 -1.76 -0.25 -1.07 0.00 0.00 179.97 177.02 1f8i n ASP 245 N -3.26 0.57 -0.31 7.04 8.00 -0.22 -4.41 116.55 123.95 1f8i n ASP 245 Ca 0.01 0.25 0.21 0.00 0.71 0.00 0.00 54.79 55.97 1f8i n ASP 245 Cb 0.40 0.52 0.48 0.00 -0.02 0.00 0.00 41.12 42.50 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 0.44 -0.12 -1.24 4.20 -1.40 -1.39 115.11 115.60 1f8i h GLN 246 Ca -0.26 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.46 1f8i h GLN 246 Cb 1.75 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 29.43 1f8i h GLN 246 CO 0.04 0.29 0.20 -1.35 -0.67 0.00 0.00 178.83 177.34 1f8i h PRO 247 N 0.45 0.00 0.00 1.46 0.11 -1.77 -1.69 132.00 130.56 1f8i h PRO 247 Ca 0.57 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.68 1f8i h PRO 247 Cb 1.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.46 1f8i h PRO 247 CO -0.29 0.00 -1.05 1.19 -0.21 0.00 0.00 178.00 177.64 1f8i n PHE 248 N -3.50 0.01 -2.24 0.65 3.72 -0.53 -4.94 117.46 110.63 1f8i n PHE 248 Ca 0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 1f8i n PHE 248 Cb 0.30 -0.06 -0.03 0.00 -0.94 0.00 0.00 39.48 38.75 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 -3.04 3.76 0.02 4.37 -1.09 -0.64 -0.31 121.20 124.27 1f8i s ILE 249 Ca 0.07 1.13 0.10 0.00 -2.23 0.00 0.00 60.65 59.72 1f8i s ILE 249 Cb 0.16 -3.73 -0.13 0.00 -1.58 0.00 0.00 42.46 37.18 1f8i s ILE 249 CO 0.86 -0.00 1.26 0.71 -1.23 0.00 0.00 174.94 176.54 1f8i h THR 250 N 4.94 1.36 0.00 2.92 1.35 -1.71 -3.48 112.91 118.28 1f8i h THR 250 Ca -0.37 -2.97 0.00 0.00 -0.55 0.00 0.00 66.41 62.52 1f8i h THR 250 Cb 1.18 2.66 0.00 0.00 -1.73 0.00 0.00 68.15 70.26 1f8i h THR 250 CO 0.90 0.77 0.00 0.61 -0.25 0.00 0.00 175.52 177.56 1f8i n GLY 251 N 1.33 2.39 3.78 5.82 0.00 -1.26 -5.07 105.19 112.18 1f8i n GLY 251 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.30 4.14 0.10 1.61 2.02 -1.26 -4.93 118.70 120.08 1f8i s GLU 252 Ca 0.00 1.50 0.07 0.00 0.02 0.00 0.00 54.97 56.56 1f8i s GLU 252 Cb 0.00 -2.51 -0.03 0.00 0.10 0.00 0.00 34.13 31.69 1f8i s GLU 252 CO 0.00 -0.16 -0.18 1.03 0.02 0.00 0.00 175.26 175.97 1f8i s ARG 253 N -2.55 1.03 0.68 1.61 1.81 -1.26 -1.13 118.95 119.13 1f8i s ARG 253 Ca 0.58 -1.11 0.01 0.00 -1.72 0.00 0.00 55.73 53.49 1f8i s ARG 253 Cb -0.21 -1.17 0.11 0.00 -0.45 0.00 0.00 34.95 33.22 1f8i s ARG 253 CO 0.27 0.27 0.94 0.95 -0.68 0.00 0.00 175.30 177.04 1f8i s THR 254 N -1.30 2.23 0.41 0.02 -4.23 -0.46 -4.94 115.64 107.38 1f8i s THR 254 Ca 0.04 -0.64 0.28 0.00 -1.18 0.00 0.00 61.69 60.19 1f8i s THR 254 Cb -0.09 -2.59 0.30 0.00 1.34 0.00 0.00 72.50 71.46 1f8i s THR 254 CO 0.04 0.00 2.08 0.03 -0.54 0.00 0.00 174.62 176.22 1f8i h ARG 255 N -0.36 0.00 0.00 3.99 3.08 -2.02 -1.20 114.38 117.88 1f8i h ARG 255 Ca -0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.68 1f8i h ARG 255 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.32 1f8i h ARG 255 CO 0.42 0.11 -0.14 0.93 -1.07 0.00 0.00 179.97 180.23 1f8i h GLU 256 N 0.00 0.00 0.00 0.04 3.07 -2.06 -3.47 114.58 112.17 1f8i h GLU 256 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1f8i h GLU 256 Cb 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 1f8i h GLU 256 CO 0.01 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.03 1f8i n GLY 257 N 1.27 0.89 3.81 -3.84 0.00 -0.45 -5.09 105.19 101.77 1f8i n GLY 257 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 3.03 -0.16 1.61 0.08 -1.26 -4.73 117.98 114.55 1f8i s PHE 258 Ca 0.00 1.49 -0.07 0.00 0.12 0.00 0.00 56.93 58.47 1f8i s PHE 258 Cb 0.00 -2.97 -0.04 0.00 -0.57 0.00 0.00 43.02 39.44 1f8i s PHE 258 CO 0.00 -1.13 0.09 0.71 -0.10 0.00 0.00 175.22 174.79 1f8i s TYR 259 N -2.60 3.35 0.28 0.36 1.51 -0.10 -1.35 117.35 118.80 1f8i s TYR 259 Ca 0.62 0.25 -0.29 0.00 -1.01 0.00 0.00 57.07 56.64 1f8i s TYR 259 Cb -0.15 -2.02 -0.10 0.00 -0.11 0.00 0.00 41.96 39.58 1f8i s TYR 259 CO 0.41 0.36 1.14 1.03 -1.11 0.00 0.00 175.55 177.38 1f8i s ARG 260 N -0.13 4.59 0.04 -0.62 1.81 -0.29 -0.86 118.95 123.49 1f8i s ARG 260 Ca 0.08 1.88 0.01 0.00 -1.72 0.00 0.00 55.73 55.98 1f8i s ARG 260 Cb -0.12 -3.17 -0.02 0.00 -0.45 0.00 0.00 34.95 31.18 1f8i s ARG 260 CO 0.01 0.13 -0.06 -0.08 -0.68 0.00 0.00 175.30 174.62 1f8i s THR 261 N -1.10 0.38 -0.40 0.02 -1.32 -0.40 -1.96 115.64 110.85 1f8i s THR 261 Ca 0.46 -1.11 -0.27 0.00 -1.21 0.00 0.00 61.69 59.55 1f8i s THR 261 Cb -0.33 -0.60 0.02 0.00 -1.51 0.00 0.00 72.50 70.08 1f8i s THR 261 CO 0.43 -0.49 1.02 -0.54 -2.21 0.00 0.00 174.62 172.83 1f8i s LYS 262 N -1.80 3.81 0.87 7.08 1.02 0.58 -4.49 119.74 126.80 1f8i s LYS 262 Ca -0.10 0.61 -0.13 0.00 0.02 0.00 0.00 55.97 56.37 1f8i s LYS 262 Cb -0.08 -3.84 0.13 0.00 -0.52 0.00 0.00 37.83 33.52 1f8i s LYS 262 CO -0.01 -1.10 1.23 0.54 -0.92 0.00 0.00 175.35 175.09 1f8i s ASN 263 N 2.06 3.94 0.00 2.83 4.22 -1.26 -4.73 114.94 122.00 1f8i s ASN 263 Ca 0.42 0.55 0.00 0.00 -2.14 0.00 0.00 52.86 51.69 1f8i s ASN 263 Cb -0.10 -0.86 0.00 0.00 1.28 0.00 0.00 41.25 41.57 1f8i s ASN 263 CO 0.23 -2.24 0.00 0.61 -2.04 0.00 0.00 177.10 173.66 1f8i n GLY 264 N -3.49 0.99 0.17 0.45 0.00 -0.82 -4.85 105.19 97.65 1f8i n GLY 264 Ca 0.11 -1.99 0.04 0.00 0.00 0.00 0.00 46.02 44.18 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 1.06 -0.18 -0.61 2.10 -1.87 -3.19 117.51 114.82 1f8i h ILE 265 Ca 0.00 -1.67 0.02 0.00 1.08 0.00 0.00 64.86 64.28 1f8i h ILE 265 Cb 0.00 1.97 -0.02 0.00 -1.09 0.00 0.00 36.82 37.68 1f8i h ILE 265 CO 0.00 0.43 0.07 -0.08 -1.08 0.00 0.00 178.15 177.49 1f8i h GLU 266 N 0.00 0.16 -0.16 2.19 4.81 -1.94 0.40 114.58 120.04 1f8i h GLU 266 Ca -0.00 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 1f8i h GLU 266 Cb 0.94 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 1f8i h GLU 266 CO 0.06 0.10 -0.25 -1.35 -0.73 0.00 0.00 179.01 176.84 1f8i h PRO 267 N 0.16 0.28 -0.66 0.92 0.11 -1.84 -2.42 132.00 128.55 1f8i h PRO 267 Ca 0.08 -0.09 -0.08 0.00 0.11 0.00 0.00 66.00 66.02 1f8i h PRO 267 Cb 0.04 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.10 1f8i h PRO 267 CO -0.07 0.52 0.10 0.00 -0.21 0.00 0.00 178.00 178.34 1f8i h ILE 269 N 1.01 1.21 -0.21 0.00 2.04 -0.63 0.65 117.51 121.57 1f8i h ILE 269 Ca 0.20 -0.67 0.01 0.00 1.00 0.00 0.00 64.86 65.41 1f8i h ILE 269 Cb 0.44 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 1f8i h ILE 269 CO 0.01 0.21 0.10 0.00 0.00 0.00 0.00 178.15 178.47 1f8i h ALA 270 N 0.86 0.25 -0.52 1.87 0.00 -1.33 -1.65 119.26 118.73 1f8i h ALA 270 Ca 0.06 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1f8i h ALA 270 Cb 0.27 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1f8i h ALA 270 CO 0.00 -0.31 0.05 0.00 0.00 0.00 0.00 179.25 178.98 1f8i h ARG 271 N 0.22 0.89 -0.27 0.00 3.08 -1.23 -2.36 114.38 114.70 1f8i h ARG 271 Ca 0.09 -0.26 0.06 0.00 0.07 0.00 0.00 59.98 59.93 1f8i h ARG 271 Cb 0.03 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 29.93 1f8i h ARG 271 CO -0.06 0.89 -0.09 0.00 -1.07 0.00 0.00 179.97 179.63 1f8i h ALA 272 N 0.96 0.14 -0.82 0.04 0.00 -0.58 0.14 119.26 119.15 1f8i h ALA 272 Ca 0.15 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.20 1f8i h ALA 272 Cb 0.46 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 1f8i h ALA 272 CO 0.02 -0.49 0.54 0.87 0.00 0.00 0.00 179.25 180.18 1f8i h LYS 273 N -0.04 0.98 -0.09 0.00 1.57 -1.19 0.21 116.57 118.00 1f8i h LYS 273 Ca 0.14 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.74 1f8i h LYS 273 Cb 0.25 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1f8i h LYS 273 CO -0.30 0.65 -0.47 0.00 -0.57 0.00 0.00 179.45 178.75 1f8i h ALA 274 N 1.52 1.04 0.05 3.86 0.00 -0.63 -3.20 119.26 121.91 1f8i h ALA 274 Ca 0.33 -0.45 -0.26 0.00 0.00 0.00 0.00 54.91 54.52 1f8i h ALA 274 Cb 0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1f8i h ALA 274 CO -0.10 0.63 -1.34 1.88 0.00 0.00 0.00 179.25 180.33 1f8i h TYR 275 N 0.17 0.18 -0.54 0.00 0.05 0.17 -3.40 116.97 113.60 1f8i h TYR 275 Ca 0.01 -0.13 0.07 0.00 0.05 0.00 0.00 58.73 58.72 1f8i h TYR 275 Cb 0.91 -0.01 -0.08 0.00 1.01 0.00 0.00 36.73 38.56 1f8i h TYR 275 CO 0.01 1.14 -0.26 0.00 -1.05 0.00 0.00 178.16 178.00 1f8i n ALA 276 N -2.51 -0.21 0.13 3.88 0.00 0.63 0.12 120.51 122.55 1f8i n ALA 276 Ca -0.09 0.50 0.08 0.00 0.00 0.00 0.00 53.44 53.92 1f8i n ALA 276 Cb 1.00 -0.16 0.42 0.00 0.00 0.00 0.00 19.45 20.72 1f8i n ALA 276 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1f8i n PRO 277 N -4.73 0.10 -0.01 0.00 -0.02 -1.26 -1.50 135.00 127.58 1f8i n PRO 277 Ca 0.03 0.59 0.02 0.00 -2.02 0.00 0.00 63.50 62.11 1f8i n PRO 277 Cb 0.18 -1.90 0.02 0.00 -0.02 0.00 0.00 33.50 31.78 1f8i n PRO 277 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1f8i n PHE 278 N -2.05 0.00 -4.42 6.00 3.72 0.32 -1.47 117.46 119.56 1f8i n PHE 278 Ca -0.01 -0.58 -0.22 0.00 -0.05 0.00 0.00 57.45 56.59 1f8i n PHE 278 Cb 0.09 -0.07 -0.16 0.00 -0.94 0.00 0.00 39.48 38.41 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 -1.30 0.97 -0.08 4.37 0.00 -0.56 -4.84 121.76 120.31 1f8i s ALA 279 Ca 0.05 -0.31 0.16 0.00 0.00 0.00 0.00 51.96 51.86 1f8i s ALA 279 Cb 0.05 -0.42 0.20 0.00 0.00 0.00 0.00 23.12 22.95 1f8i s ALA 279 CO 0.01 0.11 1.51 -0.44 0.00 0.00 0.00 175.76 176.94 1f8i h ASP 280 N 6.69 0.00 -4.59 0.00 3.32 -0.34 -3.45 116.42 118.05 1f8i h ASP 280 Ca -0.34 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.58 1f8i h ASP 280 Cb 1.17 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.50 1f8i h ASP 280 CO 0.48 0.48 -0.34 -0.76 -1.72 0.00 0.00 179.24 177.38 1f8i s LEU 281 N -6.57 0.95 -0.04 1.55 1.43 -1.16 -4.22 118.68 110.61 1f8i s LEU 281 Ca 0.03 0.23 0.06 0.00 -1.03 0.00 0.00 54.13 53.42 1f8i s LEU 281 Cb 0.08 1.10 -0.01 0.00 0.03 0.00 0.00 46.19 47.39 1f8i s LEU 281 CO 0.73 -0.32 -0.24 -0.63 0.23 0.00 0.00 176.35 176.12 1f8i s ILE 282 N -0.82 1.96 -0.06 -0.59 1.01 -0.90 -0.86 121.20 120.94 1f8i s ILE 282 Ca -0.09 -1.03 0.01 0.00 0.00 0.00 0.00 60.65 59.55 1f8i s ILE 282 Cb -0.04 -1.65 0.02 0.00 0.01 0.00 0.00 42.46 40.79 1f8i s ILE 282 CO 0.03 0.55 -0.09 0.86 0.00 0.00 0.00 174.94 176.29 1f8i s TRP 283 N -0.27 1.22 -0.17 3.97 -0.00 0.77 -1.07 118.94 123.39 1f8i s TRP 283 Ca 0.00 -0.45 -0.03 0.00 -0.00 0.00 0.00 56.10 55.63 1f8i s TRP 283 Cb -0.12 -0.96 -0.02 0.00 -0.00 0.00 0.00 33.47 32.37 1f8i s TRP 283 CO 0.02 -0.28 -0.06 1.41 -0.00 0.00 0.00 176.95 178.04 1f8i s MET 284 N 0.91 3.48 0.37 5.86 -2.45 -1.26 -1.03 119.30 125.19 1f8i s MET 284 Ca -0.11 -0.60 -0.25 0.00 -1.25 0.00 0.00 55.69 53.48 1f8i s MET 284 Cb -0.15 -2.88 -0.09 0.00 1.25 0.00 0.00 34.83 32.96 1f8i s MET 284 CO 0.01 0.07 1.02 -1.21 1.05 0.00 0.00 175.02 175.96 1f8i s GLU 285 N 0.79 4.30 0.13 4.11 0.41 -1.04 -4.81 118.70 122.59 1f8i s GLU 285 Ca -0.02 1.47 0.04 0.00 -0.41 0.00 0.00 54.97 56.04 1f8i s GLU 285 Cb -0.15 -2.63 -0.04 0.00 -1.78 0.00 0.00 34.13 29.53 1f8i s GLU 285 CO 0.02 -0.01 -0.10 0.95 -0.49 0.00 0.00 175.26 175.62 1f8i s THR 286 N -1.64 1.09 -0.91 3.63 -4.23 -1.26 -4.55 115.64 107.77 1f8i s THR 286 Ca 0.55 -1.90 0.26 0.00 -1.18 0.00 0.00 61.69 59.42 1f8i s THR 286 Cb -0.21 -1.67 0.13 0.00 1.34 0.00 0.00 72.50 72.08 1f8i s THR 286 CO 0.27 -0.67 1.62 0.61 -0.54 0.00 0.00 174.62 175.91 1f8i n GLY 287 N 0.10 -1.42 3.28 3.99 0.00 -1.26 -4.92 105.19 104.97 1f8i n GLY 287 Ca -0.12 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.04 0.09 -0.95 2.61 -4.23 -1.26 -4.95 115.64 103.91 1f8i s THR 288 Ca 0.11 -0.74 -0.21 0.00 -1.18 0.00 0.00 61.69 59.67 1f8i s THR 288 Cb 0.17 -1.21 0.08 0.00 1.34 0.00 0.00 72.50 72.88 1f8i s THR 288 CO 0.63 -0.41 1.29 -2.16 -0.54 0.00 0.00 174.62 173.43 1f8i s PRO 289 N -3.80 3.55 -0.21 3.99 0.04 -1.26 -4.95 135.00 132.36 1f8i s PRO 289 Ca 0.03 -1.32 0.01 0.00 0.04 0.00 0.00 61.00 59.77 1f8i s PRO 289 Cb 0.03 -5.07 0.04 0.00 0.04 0.00 0.00 34.50 29.54 1f8i s PRO 289 CO -0.12 -2.01 -0.11 0.34 0.04 0.00 0.00 177.00 175.14 1f8i s ASP 290 N 4.33 3.55 0.35 6.66 -1.08 -1.26 -4.91 116.67 124.31 1f8i s ASP 290 Ca 0.39 -0.96 0.08 0.00 -0.52 0.00 0.00 52.55 51.54 1f8i s ASP 290 Cb -0.03 -1.29 0.67 0.00 -1.46 0.00 0.00 42.92 40.80 1f8i s ASP 290 CO -0.08 -0.14 1.85 -0.07 0.52 0.00 0.00 175.17 177.25 1f8i h LEU 291 N 7.94 0.26 -0.13 -1.34 3.38 -1.98 -2.13 115.31 121.31 1f8i h LEU 291 Ca -0.27 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.57 1f8i h LEU 291 Cb 1.09 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 1f8i h LEU 291 CO 0.48 0.47 -0.13 -0.08 0.09 0.00 0.00 178.44 179.27 1f8i h GLU 292 N 0.25 0.31 -1.01 1.13 4.22 -1.99 -0.75 114.58 116.74 1f8i h GLU 292 Ca 0.04 -0.17 0.02 0.00 0.08 0.00 0.00 59.36 59.33 1f8i h GLU 292 Cb 0.50 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.70 1f8i h GLU 292 CO 0.03 0.72 0.66 0.00 -2.18 0.00 0.00 179.01 178.25 1f8i h ALA 293 N 0.59 1.30 -0.66 2.92 0.00 -1.97 -0.42 119.26 121.02 1f8i h ALA 293 Ca 0.02 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1f8i h ALA 293 Cb 0.67 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1f8i h ALA 293 CO 0.03 0.63 0.29 0.00 0.00 0.00 0.00 179.25 180.20 1f8i h ALA 294 N 1.38 0.85 0.16 0.00 0.00 -1.23 -1.79 119.26 118.63 1f8i h ALA 294 Ca 0.38 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1f8i h ALA 294 Cb -0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1f8i h ALA 294 CO -0.09 0.44 -0.13 -0.09 0.00 0.00 0.00 179.25 179.38 1f8i h ARG 295 N 0.91 -0.29 -0.62 0.00 2.43 -0.26 -0.07 114.38 116.49 1f8i h ARG 295 Ca 0.22 0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.54 1f8i h ARG 295 Cb 0.16 0.07 -0.11 0.00 -0.42 0.00 0.00 29.97 29.66 1f8i h ARG 295 CO -0.02 -0.19 -0.11 0.37 -1.51 0.00 0.00 179.97 178.51 1f8i h GLN 296 N -0.30 0.03 -0.18 0.20 4.15 -0.78 0.25 115.11 118.49 1f8i h GLN 296 Ca -0.01 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 1f8i h GLN 296 Cb 0.27 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 1f8i h GLN 296 CO -0.01 0.02 0.03 0.35 -1.93 0.00 0.00 178.83 177.29 1f8i h PHE 297 N 0.03 0.31 0.09 3.99 3.57 -1.04 -2.45 116.94 121.45 1f8i h PHE 297 Ca 0.31 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.76 1f8i h PHE 297 Cb 0.49 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.14 1f8i h PHE 297 CO -0.46 0.46 -0.04 1.03 -2.23 0.00 0.00 178.31 177.06 1f8i h SER 298 N 0.08 -0.10 -0.83 0.41 0.87 0.04 -1.87 113.55 112.14 1f8i h SER 298 Ca 0.05 -0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.55 1f8i h SER 298 Cb 0.32 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.26 1f8i h SER 298 CO 0.00 -0.02 0.45 -0.33 -0.53 0.00 0.00 176.83 176.41 1f8i h GLU 299 N -0.18 1.16 -0.29 2.24 5.08 -0.60 0.89 114.58 122.89 1f8i h GLU 299 Ca -0.01 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 1f8i h GLU 299 Cb 0.15 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1f8i h GLU 299 CO 0.02 0.85 0.08 0.00 -1.00 0.00 0.00 179.01 178.96 1f8i h ALA 300 N 1.33 0.38 -0.19 3.43 0.00 -1.34 -1.37 119.26 121.49 1f8i h ALA 300 Ca 0.29 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1f8i h ALA 300 Cb 0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1f8i h ALA 300 CO -0.05 0.02 -0.08 0.28 0.00 0.00 0.00 179.25 179.43 1f8i h VAL 301 N 0.30 1.30 0.00 0.00 2.07 -1.05 -3.10 116.25 115.77 1f8i h VAL 301 Ca 0.09 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 1f8i h VAL 301 Cb 0.26 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1f8i h VAL 301 CO -0.00 0.34 -0.06 0.11 0.02 0.00 0.00 177.57 177.98 1f8i h LYS 302 N 0.09 0.00 -0.83 1.57 1.57 -0.80 -1.10 116.57 117.08 1f8i h LYS 302 Ca 0.04 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.93 1f8i h LYS 302 Cb 0.56 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.81 1f8i h LYS 302 CO 0.03 0.06 0.54 0.00 -0.57 0.00 0.00 179.45 179.50 1f8i h ALA 303 N 1.94 1.77 0.00 3.86 0.00 -1.17 -1.42 119.26 124.25 1f8i h ALA 303 Ca -0.00 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.58 1f8i h ALA 303 Cb 0.39 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1f8i h ALA 303 CO 0.01 0.04 -2.26 0.39 0.00 0.00 0.00 179.25 177.43 1f8i n GLU 304 N -4.52 0.97 -3.63 0.00 1.02 -1.02 -4.74 120.64 108.72 1f8i n GLU 304 Ca 0.14 -0.01 -0.27 0.00 -0.02 0.00 0.00 57.16 57.00 1f8i n GLU 304 Cb 0.36 -1.47 -0.10 0.00 -0.02 0.00 0.00 31.44 30.20 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 -2.67 1.97 -0.33 -0.32 4.01 -0.45 -4.98 117.16 114.39 1f8i n TYR 305 Ca -0.29 -3.97 0.15 0.00 -0.16 0.00 0.00 57.90 53.63 1f8i n TYR 305 Cb 1.09 -0.37 0.35 0.00 -0.31 0.00 0.00 39.34 40.10 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 5.10 0.50 -0.15 -0.72 0.11 -1.52 -1.61 132.00 133.71 1f8i h PRO 306 Ca 0.18 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1f8i h PRO 306 Cb 0.79 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.78 1f8i h PRO 306 CO 0.63 0.33 0.00 -0.25 -0.21 0.00 0.00 178.00 178.50 1f8i n ASP 307 N -4.95 1.89 -4.65 -2.05 8.00 -1.26 -4.91 116.55 108.62 1f8i n ASP 307 Ca 0.25 -1.71 -0.43 0.00 0.71 0.00 0.00 54.79 53.61 1f8i n ASP 307 Cb 0.70 -0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.68 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 -1.82 4.01 0.34 -1.24 2.00 -0.61 -4.99 119.66 117.36 1f8i s GLN 308 Ca 0.34 1.91 -0.20 0.00 -2.00 0.00 0.00 55.36 55.41 1f8i s GLN 308 Cb 0.19 -3.99 -0.10 0.00 0.80 0.00 0.00 33.01 29.91 1f8i s GLN 308 CO 0.29 -1.04 0.85 -1.64 -0.50 0.00 0.00 175.29 173.25 1f8i s MET 309 N 4.29 4.25 0.30 1.67 -1.94 -1.26 -4.92 119.30 121.69 1f8i s MET 309 Ca 0.71 1.00 0.11 0.00 -1.71 0.00 0.00 55.69 55.79 1f8i s MET 309 Cb -0.29 -2.50 -0.05 0.00 2.01 0.00 0.00 34.83 34.00 1f8i s MET 309 CO 0.28 0.16 -0.11 -0.51 -0.01 0.00 0.00 175.02 174.83 1f8i s LEU 310 N -2.67 2.78 0.02 -0.03 1.43 -0.56 -2.12 118.68 117.53 1f8i s LEU 310 Ca 0.54 -1.00 0.05 0.00 -1.03 0.00 0.00 54.13 52.68 1f8i s LEU 310 Cb -0.13 -1.21 -0.02 0.00 0.03 0.00 0.00 46.19 44.86 1f8i s LEU 310 CO 0.18 -0.06 -0.14 0.00 0.23 0.00 0.00 176.35 176.55 1f8i s ALA 311 N -2.50 1.19 -0.05 4.21 0.00 -0.23 -1.46 121.76 122.92 1f8i s ALA 311 Ca 0.32 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.55 1f8i s ALA 311 Cb -0.03 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.87 1f8i s ALA 311 CO 0.17 0.25 -0.12 -0.47 0.00 0.00 0.00 175.76 175.59 1f8i s TYR 312 N -0.66 1.31 -0.57 0.00 6.14 0.00 -4.30 117.35 119.28 1f8i s TYR 312 Ca 0.03 -0.42 -0.20 0.00 0.64 0.00 0.00 57.07 57.12 1f8i s TYR 312 Cb -0.07 -0.95 0.07 0.00 0.42 0.00 0.00 41.96 41.43 1f8i s TYR 312 CO 0.01 -0.20 0.76 1.21 0.64 0.00 0.00 175.55 177.97 1f8i s ASN 313 N 0.45 6.22 -1.31 4.32 2.47 -1.26 -2.21 114.94 123.61 1f8i s ASN 313 Ca -0.09 -0.99 -0.15 0.00 0.42 0.00 0.00 52.86 52.04 1f8i s ASN 313 Cb -0.13 -2.34 0.10 0.00 -1.45 0.00 0.00 41.25 37.42 1f8i s ASN 313 CO 0.02 -1.12 1.78 0.00 -3.72 0.00 0.00 177.10 174.06 1f8i s SER 315 N 3.41 6.94 0.00 0.00 0.15 -1.26 -4.24 113.70 118.70 1f8i s SER 315 Ca 0.49 2.34 0.24 0.00 0.70 0.00 0.00 55.95 59.72 1f8i s SER 315 Cb 0.05 -2.61 1.31 0.00 -1.71 0.00 0.00 66.02 63.07 1f8i s SER 315 CO 0.02 -0.50 1.78 -2.65 1.20 0.00 0.00 173.24 173.09 1f8i n PRO 316 N 2.74 0.57 0.00 5.44 -0.02 -1.26 -2.12 135.00 140.36 1f8i n PRO 316 Ca 0.06 0.03 0.14 0.00 -2.02 0.00 0.00 63.50 61.71 1f8i n PRO 316 Cb 0.43 -1.50 0.74 0.00 -0.02 0.00 0.00 33.50 33.15 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 -1.12 0.00 -4.89 2.55 7.64 -1.26 -4.70 113.62 111.84 1f8i n SER 317 Ca 0.15 -0.29 -0.35 0.00 1.01 0.00 0.00 58.87 59.38 1f8i n SER 317 Cb 0.13 -0.22 -0.06 0.00 -1.01 0.00 0.00 64.21 63.05 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 -2.44 3.57 -0.81 1.43 0.08 -0.90 -5.02 117.98 113.89 1f8i s PHE 318 Ca 0.30 0.45 -0.18 0.00 0.12 0.00 0.00 56.93 57.62 1f8i s PHE 318 Cb 0.19 -1.89 0.13 0.00 -0.57 0.00 0.00 43.02 40.89 1f8i s PHE 318 CO 0.40 0.69 0.95 1.21 -0.10 0.00 0.00 175.22 178.37 1f8i s ASN 319 N -1.42 6.50 0.12 1.36 3.04 -1.26 -4.94 114.94 118.35 1f8i s ASN 319 Ca 0.20 -1.91 -0.29 0.00 0.04 0.00 0.00 52.86 50.90 1f8i s ASN 319 Cb -0.12 -2.34 -0.06 0.00 -1.54 0.00 0.00 41.25 37.18 1f8i s ASN 319 CO 0.10 -1.03 1.59 -0.50 -3.04 0.00 0.00 177.10 174.23 1f8i h TRP 320 N 8.80 -1.10 0.00 0.43 4.06 -1.93 -2.20 115.95 124.00 1f8i h TRP 320 Ca -0.00 0.04 0.00 0.00 2.06 0.00 0.00 58.89 60.99 1f8i h TRP 320 Cb 1.05 0.49 0.00 0.00 -1.00 0.00 0.00 29.16 29.70 1f8i h TRP 320 CO 1.05 -0.47 0.00 1.63 -3.56 0.00 0.00 178.44 177.09 1f8i n LYS 321 N -5.44 0.21 0.12 0.49 5.02 -1.26 -1.03 118.16 116.27 1f8i n LYS 321 Ca -0.05 0.15 0.05 0.00 -2.02 0.00 0.00 58.31 56.43 1f8i n LYS 321 Cb 0.36 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.88 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 -1.81 -3.37 116.57 116.99 1f8i h LYS 322 Ca 0.00 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.16 1f8i h LYS 322 Cb 0.14 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.92 1f8i h LYS 322 CO 0.00 0.28 -1.90 0.72 -2.27 0.00 0.00 179.45 176.28 1f8i n HIS 323 N -3.02 0.00 -4.23 1.91 8.25 -0.62 -5.05 115.22 112.45 1f8i n HIS 323 Ca -0.01 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.30 1f8i n HIS 323 Cb 0.70 -0.63 -0.10 0.00 1.12 0.00 0.00 29.99 31.07 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 -4.90 2.49 0.56 2.41 1.43 -0.20 -5.08 118.68 115.39 1f8i s LEU 324 Ca -0.06 -0.95 -0.04 0.00 -1.03 0.00 0.00 54.13 52.05 1f8i s LEU 324 Cb 0.04 -0.36 0.01 0.00 0.03 0.00 0.00 46.19 45.91 1f8i s LEU 324 CO 0.55 -0.29 0.84 1.51 0.23 0.00 0.00 176.35 179.19 1f8i s ASP 325 N -2.94 5.61 0.51 2.29 1.47 -1.26 -4.38 116.67 117.98 1f8i s ASP 325 Ca 0.13 0.56 0.17 0.00 1.18 0.00 0.00 52.55 54.59 1f8i s ASP 325 Cb 0.01 -1.60 1.27 0.00 -0.34 0.00 0.00 42.92 42.26 1f8i s ASP 325 CO 0.01 -0.99 2.13 0.44 0.68 0.00 0.00 175.17 177.43 1f8i h ASP 326 N -0.03 0.00 -0.27 2.11 3.32 -1.97 -1.70 116.42 117.88 1f8i h ASP 326 Ca -0.45 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.58 1f8i h ASP 326 Cb 1.26 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 1f8i h ASP 326 CO 0.59 0.04 0.09 0.00 -1.72 0.00 0.00 179.24 178.24 1f8i h ALA 327 N 1.96 0.36 -0.57 3.45 0.00 -1.99 -0.39 119.26 122.07 1f8i h ALA 327 Ca -0.00 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 1f8i h ALA 327 Cb 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1f8i h ALA 327 CO 0.00 -0.02 -0.06 1.15 0.00 0.00 0.00 179.25 180.32 1f8i h THR 328 N 0.28 1.27 -0.34 0.00 2.02 -1.80 -2.62 112.91 111.72 1f8i h THR 328 Ca 0.09 -1.22 0.00 0.00 0.77 0.00 0.00 66.41 66.05 1f8i h THR 328 Cb 0.23 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 1f8i h THR 328 CO -0.00 0.44 0.22 0.40 0.37 0.00 0.00 175.52 176.94 1f8i h ILE 329 N 0.94 1.10 -0.75 3.11 2.04 -1.17 0.23 117.51 123.01 1f8i h ILE 329 Ca 0.15 -0.20 0.01 0.00 1.00 0.00 0.00 64.86 65.82 1f8i h ILE 329 Cb 0.63 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 1f8i h ILE 329 CO 0.04 0.10 0.49 0.00 0.00 0.00 0.00 178.15 178.78 1f8i h ALA 330 N 1.11 1.45 -0.03 1.87 0.00 -0.89 -2.69 119.26 120.08 1f8i h ALA 330 Ca 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1f8i h ALA 330 Cb -0.03 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.45 1f8i h ALA 330 CO -0.03 0.50 -0.09 0.36 0.00 0.00 0.00 179.25 180.00 1f8i n LYS 331 N -4.42 2.03 -0.11 0.00 2.85 -1.00 -4.68 118.16 112.83 1f8i n LYS 331 Ca 0.08 -1.63 -0.12 0.00 -1.05 0.00 0.00 58.31 55.59 1f8i n LYS 331 Cb 0.04 -1.47 -0.09 0.00 -0.65 0.00 0.00 35.03 32.86 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 3.98 -1.51 -0.41 5.58 3.57 -0.19 0.01 116.94 127.98 1f8i h PHE 332 Ca 0.00 0.07 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 1f8i h PHE 332 Cb 0.89 0.70 -0.02 0.00 2.79 0.00 0.00 35.95 40.31 1f8i h PHE 332 CO 0.00 -0.44 0.01 1.96 -2.23 0.00 0.00 178.31 177.61 1f8i h GLN 333 N -0.36 0.64 -0.58 1.11 4.20 -1.83 -1.99 115.11 116.30 1f8i h GLN 333 Ca 0.06 -0.15 -0.10 0.00 0.06 0.00 0.00 58.65 58.52 1f8i h GLN 333 Cb 0.53 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 1f8i h GLN 333 CO -0.52 0.66 -0.04 -0.22 -0.67 0.00 0.00 178.83 178.05 1f8i h LYS 334 N 0.61 1.05 -0.54 1.46 3.64 -1.74 -1.35 116.57 119.69 1f8i h LYS 334 Ca 0.13 -0.35 -0.05 0.00 -1.27 0.00 0.00 60.65 59.11 1f8i h LYS 334 Cb 0.38 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1f8i h LYS 334 CO 0.01 1.04 0.13 0.93 -2.27 0.00 0.00 179.45 179.29 1f8i h GLU 335 N 0.95 0.87 -0.60 1.90 4.39 -0.75 -2.25 114.58 119.09 1f8i h GLU 335 Ca 0.16 -0.21 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 1f8i h GLU 335 Cb 0.60 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 1f8i h GLU 335 CO 0.04 0.82 0.29 -0.07 -1.16 0.00 0.00 179.01 178.93 1f8i h LEU 336 N 0.77 0.78 -0.99 1.33 3.38 -1.16 -2.54 115.31 116.87 1f8i h LEU 336 Ca 0.17 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1f8i h LEU 336 Cb 0.35 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 1f8i h LEU 336 CO 0.00 0.69 0.63 0.00 0.09 0.00 0.00 178.44 179.86 1f8i h ALA 337 N 1.12 1.26 0.00 1.53 0.00 -1.05 0.81 119.26 122.93 1f8i h ALA 337 Ca 0.21 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1f8i h ALA 337 Cb 0.11 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1f8i h ALA 337 CO -0.03 0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.89 1f8i h ALA 338 N 1.35 1.00 -0.45 0.00 0.00 -1.00 -1.85 119.26 118.31 1f8i h ALA 338 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1f8i h ALA 338 Cb -0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1f8i h ALA 338 CO -0.07 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.85 1f8i n MET 339 N -2.77 3.94 -0.31 0.00 2.81 0.20 -4.94 117.12 116.06 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 -2.03 0.00 0.00 -0.71 0.00 0.00 33.22 30.63 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 0.23 0.67 3.48 3.03 0.00 -0.69 -4.86 105.19 107.05 1f8i n GLY 340 Ca 0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.57 3.05 -0.53 1.61 0.08 -0.75 -1.50 117.98 117.38 1f8i s PHE 341 Ca 0.00 -1.43 0.24 0.00 0.12 0.00 0.00 56.93 55.86 1f8i s PHE 341 Cb 0.00 -4.40 0.47 0.00 -0.57 0.00 0.00 43.02 38.53 1f8i s PHE 341 CO 0.00 -1.58 1.63 0.87 -0.10 0.00 0.00 175.22 176.04 1f8i h LYS 342 N 8.65 0.00 -4.62 0.44 1.79 -1.56 -3.33 116.57 117.95 1f8i h LYS 342 Ca 0.21 0.00 -0.63 0.00 -2.18 0.00 0.00 60.65 58.05 1f8i h LYS 342 Cb 0.99 0.00 -0.37 0.00 -1.58 0.00 0.00 32.23 31.26 1f8i h LYS 342 CO 1.21 0.00 -0.80 0.12 -1.08 0.00 0.00 179.45 178.90 1f8i s PHE 343 N -3.18 2.64 0.00 -1.35 5.36 -1.18 0.90 117.98 121.17 1f8i s PHE 343 Ca 0.08 -1.82 0.07 0.00 -0.96 0.00 0.00 56.93 54.30 1f8i s PHE 343 Cb 0.08 -1.71 -0.02 0.00 -0.34 0.00 0.00 43.02 41.03 1f8i s PHE 343 CO 0.65 -0.79 -0.23 -0.65 -1.46 0.00 0.00 175.22 172.74 1f8i s GLN 344 N 1.32 1.79 -0.09 10.12 -0.21 0.00 -0.82 119.66 131.77 1f8i s GLN 344 Ca -0.04 -0.89 -0.19 0.00 0.02 0.00 0.00 55.36 54.27 1f8i s GLN 344 Cb -0.18 -1.79 0.04 0.00 1.00 0.00 0.00 33.01 32.08 1f8i s GLN 344 CO -0.07 0.48 0.45 -0.59 -2.12 0.00 0.00 175.29 173.44 1f8i s PHE 345 N -0.62 -0.42 -0.60 0.91 -0.71 -0.94 -1.06 117.98 114.54 1f8i s PHE 345 Ca 0.09 0.87 -0.16 0.00 -1.04 0.00 0.00 56.93 56.69 1f8i s PHE 345 Cb -0.09 0.19 0.14 0.00 -1.21 0.00 0.00 43.02 42.05 1f8i s PHE 345 CO -0.00 -0.37 0.59 0.42 -1.34 0.00 0.00 175.22 174.52 1f8i s ILE 346 N -0.61 5.19 0.14 -4.49 1.01 -0.85 -1.18 121.20 120.42 1f8i s ILE 346 Ca -0.07 -1.55 -0.31 0.00 0.00 0.00 0.00 60.65 58.72 1f8i s ILE 346 Cb -0.03 -4.40 -0.07 0.00 0.01 0.00 0.00 42.46 37.97 1f8i s ILE 346 CO 0.04 -0.96 1.55 0.71 0.00 0.00 0.00 174.94 176.28 1f8i h THR 347 N 5.73 0.02 -0.69 2.92 1.35 -1.89 -1.16 112.91 119.19 1f8i h THR 347 Ca -0.23 0.00 -0.29 0.00 -0.55 0.00 0.00 66.41 65.35 1f8i h THR 347 Cb 1.09 0.02 -0.17 0.00 -1.73 0.00 0.00 68.15 67.36 1f8i h THR 347 CO 1.01 0.00 0.36 0.18 -0.25 0.00 0.00 175.52 176.82 1f8i n LEU 348 N -5.37 5.59 -0.29 3.87 4.77 -1.26 -3.76 117.00 120.56 1f8i n LEU 348 Ca -0.01 -2.93 -0.00 0.00 -0.03 0.00 0.00 56.01 53.03 1f8i n LEU 348 Cb 0.33 -0.73 0.12 0.00 -2.33 0.00 0.00 43.42 40.81 1f8i n LEU 348 CO -0.02 0.82 1.16 0.00 -1.33 0.00 0.00 177.39 178.02 1f8i h ALA 349 N 1.93 1.09 -0.34 -1.18 0.00 -1.74 -2.10 119.26 116.92 1f8i h ALA 349 Ca 0.35 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 1f8i h ALA 349 Cb 2.23 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 1f8i h ALA 349 CO 0.73 0.22 0.07 0.78 0.00 0.00 0.00 179.25 181.05 1f8i h GLY 350 N 0.90 0.59 0.75 0.00 0.00 -1.65 -0.63 103.07 103.03 1f8i h GLY 350 Ca 0.35 -0.38 0.03 0.00 0.00 0.00 0.00 47.33 47.32 1f8i h GLY 350 CO -0.17 0.35 -0.03 -2.75 0.00 0.00 0.00 176.54 173.95 1f8i h PHE 351 N 0.40 -0.07 -0.44 5.60 3.57 -1.78 0.02 116.94 124.25 1f8i h PHE 351 Ca 0.11 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.47 1f8i h PHE 351 Cb 0.32 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 1f8i h PHE 351 CO 0.02 -0.05 -0.30 0.45 -2.23 0.00 0.00 178.31 176.20 1f8i h HIS 352 N -0.00 1.13 -0.55 0.41 3.86 -1.33 0.03 115.15 118.70 1f8i h HIS 352 Ca 0.06 -0.30 -0.09 0.00 -1.16 0.00 0.00 60.37 58.88 1f8i h HIS 352 Cb 0.09 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.29 1f8i h HIS 352 CO -0.17 1.13 0.00 0.00 0.86 0.00 0.00 177.93 179.76 1f8i h ALA 353 N 0.84 0.74 0.06 2.45 0.00 -0.98 -0.55 119.26 121.83 1f8i h ALA 353 Ca 0.09 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1f8i h ALA 353 Cb 0.88 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1f8i h ALA 353 CO 0.08 0.57 -0.03 1.25 0.00 0.00 0.00 179.25 181.12 1f8i h LEU 354 N 0.85 -0.07 -0.30 0.00 6.46 -0.90 -2.32 115.31 119.04 1f8i h LEU 354 Ca 0.16 -0.37 -0.02 0.00 -0.12 0.00 0.00 57.88 57.53 1f8i h LEU 354 Cb 0.54 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.47 1f8i h LEU 354 CO 0.03 0.34 0.12 0.78 -0.62 0.00 0.00 178.44 179.09 1f8i h ASN 355 N -0.50 0.43 -0.05 1.25 2.35 -0.99 -2.70 115.58 115.36 1f8i h ASN 355 Ca -0.01 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1f8i h ASN 355 Cb 0.44 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.70 1f8i h ASN 355 CO 0.01 0.48 0.02 0.22 -1.65 0.00 0.00 177.43 176.51 1f8i h TYR 356 N 0.34 0.09 -0.69 1.19 3.20 -1.17 -1.88 116.97 118.04 1f8i h TYR 356 Ca 0.10 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 1f8i h TYR 356 Cb 0.20 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 1f8i h TYR 356 CO -0.00 0.26 0.39 0.66 -1.64 0.00 0.00 178.16 177.82 1f8i h SER 357 N -0.11 0.85 0.14 -2.11 4.64 -1.45 0.12 113.55 115.62 1f8i h SER 357 Ca 0.02 -0.06 -0.20 0.00 -0.47 0.00 0.00 61.79 61.08 1f8i h SER 357 Cb 0.21 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1f8i h SER 357 CO -0.00 0.68 -0.75 -0.03 -0.87 0.00 0.00 176.83 175.86 1f8i h MET 358 N 0.96 0.52 -0.19 4.77 1.85 -1.46 -1.47 114.93 119.91 1f8i h MET 358 Ca 0.25 -0.43 -0.02 0.00 -0.61 0.00 0.00 59.70 58.88 1f8i h MET 358 Cb 0.01 0.09 -0.01 0.00 0.43 0.00 0.00 31.60 32.13 1f8i h MET 358 CO -0.04 1.06 0.04 0.35 -0.40 0.00 0.00 176.91 177.92 1f8i h PHE 359 N 0.35 0.32 0.01 1.39 3.57 -0.89 0.83 116.94 122.52 1f8i h PHE 359 Ca -0.04 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.44 1f8i h PHE 359 Cb 1.35 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.97 1f8i h PHE 359 CO 0.06 0.44 -0.16 0.22 -2.23 0.00 0.00 178.31 176.64 1f8i h ASP 360 N 0.11 -0.46 -0.13 0.41 3.58 -0.71 0.17 116.42 119.38 1f8i h ASP 360 Ca 0.06 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.57 1f8i h ASP 360 Cb 0.28 0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.52 1f8i h ASP 360 CO 0.00 -0.22 0.05 0.25 -2.88 0.00 0.00 179.24 176.45 1f8i h LEU 361 N -0.26 0.17 -0.99 2.28 5.85 -1.24 -2.25 115.31 118.87 1f8i h LEU 361 Ca 0.05 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.63 1f8i h LEU 361 Cb 0.33 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 1f8i h LEU 361 CO -0.15 0.28 0.66 0.00 -0.34 0.00 0.00 178.44 178.89 1f8i h ALA 362 N 0.90 1.26 -0.03 1.25 0.00 -0.65 0.21 119.26 122.20 1f8i h ALA 362 Ca 0.04 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1f8i h ALA 362 Cb 0.16 -0.40 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1f8i h ALA 362 CO -0.00 0.65 0.01 -0.92 0.00 0.00 0.00 179.25 178.99 1f8i h TYR 363 N 1.35 0.04 -0.34 0.00 3.20 -0.53 0.12 116.97 120.81 1f8i h TYR 363 Ca 0.36 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.15 1f8i h TYR 363 Cb -0.16 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.08 1f8i h TYR 363 CO -0.00 0.15 -0.12 0.78 -1.64 0.00 0.00 178.16 177.34 1f8i h GLY 364 N -0.08 0.64 1.06 1.82 0.00 -1.13 -2.40 103.07 102.98 1f8i h GLY 364 Ca 0.01 -0.46 -0.07 0.00 0.00 0.00 0.00 47.33 46.82 1f8i h GLY 364 CO -0.00 0.42 0.18 -1.82 0.00 0.00 0.00 176.54 175.32 1f8i h TYR 365 N 0.55 1.17 -0.01 5.60 3.20 -0.29 0.33 116.97 127.52 1f8i h TYR 365 Ca 0.10 -0.14 -0.03 0.00 3.14 0.00 0.00 58.73 61.80 1f8i h TYR 365 Cb 0.52 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 38.46 1f8i h TYR 365 CO 0.02 0.95 -0.13 0.00 -1.64 0.00 0.00 178.16 177.36 1f8i h ALA 366 N 1.09 1.77 0.04 1.82 0.00 -0.27 0.84 119.26 124.55 1f8i h ALA 366 Ca 0.22 -0.12 -0.35 0.00 0.00 0.00 0.00 54.91 54.66 1f8i h ALA 366 Cb 0.36 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1f8i h ALA 366 CO 0.00 0.17 -1.97 1.04 0.00 0.00 0.00 179.25 178.49 1f8i n GLN 367 N -4.38 0.64 -0.04 0.00 1.13 -0.88 -4.70 117.38 109.16 1f8i n GLN 367 Ca -0.03 0.34 0.03 0.00 -1.94 0.00 0.00 57.00 55.41 1f8i n GLN 367 Cb 0.20 -1.64 0.05 0.00 0.11 0.00 0.00 30.24 28.96 1f8i n GLN 367 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1f8i n ASN 368 N -3.90 1.98 0.00 1.08 4.13 0.11 -5.09 115.26 113.57 1f8i n ASN 368 Ca -0.39 -2.32 0.00 0.00 1.68 0.00 0.00 54.58 53.55 1f8i n ASN 368 Cb 0.89 -0.15 0.00 0.00 -1.54 0.00 0.00 39.78 38.98 1f8i n ASN 368 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1f8i n GLN 369 N -0.78 0.00 -0.31 3.52 3.00 0.29 -2.55 117.38 120.55 1f8i n GLN 369 Ca 0.05 0.00 0.18 0.00 -0.01 0.00 0.00 57.00 57.22 1f8i n GLN 369 Cb 0.40 0.00 0.44 0.00 0.00 0.00 0.00 30.24 31.08 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 0.53 -0.88 -1.09 2.86 -1.93 -1.73 114.93 112.70 1f8i h MET 370 Ca 0.00 -0.03 0.13 0.00 -2.06 0.00 0.00 59.70 57.74 1f8i h MET 370 Cb 0.00 -0.12 -0.09 0.00 0.06 0.00 0.00 31.60 31.45 1f8i h MET 370 CO 0.00 0.35 0.49 0.77 1.06 0.00 0.00 176.91 179.58 1f8i h SER 371 N 0.54 0.65 -0.73 1.22 0.02 -1.87 -0.08 113.55 113.30 1f8i h SER 371 Ca 0.56 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.58 1f8i h SER 371 Cb 1.18 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.64 1f8i h SER 371 CO -0.30 0.31 0.43 0.00 -1.14 0.00 0.00 176.83 176.13 1f8i h ALA 372 N 1.53 0.93 -0.19 3.77 0.00 -1.48 -2.48 119.26 121.34 1f8i h ALA 372 Ca 0.46 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 55.11 1f8i h ALA 372 Cb 0.57 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1f8i h ALA 372 CO -0.32 0.40 -0.55 -0.92 0.00 0.00 0.00 179.25 177.86 1f8i h TYR 373 N 0.99 0.93 -0.55 0.00 3.20 -1.27 -3.07 116.97 117.21 1f8i h TYR 373 Ca 0.26 -0.37 0.09 0.00 3.14 0.00 0.00 58.73 61.85 1f8i h TYR 373 Cb -0.03 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.05 1f8i h TYR 373 CO -0.01 1.17 0.37 0.28 -1.64 0.00 0.00 178.16 178.33 1f8i h VAL 374 N 0.43 0.90 -0.82 1.81 2.07 -0.94 0.13 116.25 119.84 1f8i h VAL 374 Ca -0.01 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1f8i h VAL 374 Cb 1.17 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 1f8i h VAL 374 CO 0.12 0.07 0.43 -0.33 0.02 0.00 0.00 177.57 177.88 1f8i h GLU 375 N 0.37 1.15 -0.06 1.57 5.08 -1.35 -0.60 114.58 120.74 1f8i h GLU 375 Ca 0.25 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1f8i h GLU 375 Cb 0.51 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1f8i h GLU 375 CO -0.06 0.86 0.00 1.25 -1.00 0.00 0.00 179.01 180.06 1f8i h LEU 376 N 1.14 0.10 -0.66 1.33 5.85 -0.81 -2.00 115.31 120.26 1f8i h LEU 376 Ca 0.29 -0.29 0.10 0.00 0.84 0.00 0.00 57.88 58.82 1f8i h LEU 376 Cb 0.06 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 40.99 1f8i h LEU 376 CO -0.04 0.36 0.27 -0.61 -0.34 0.00 0.00 178.44 178.08 1f8i h GLN 377 N -0.18 0.45 -0.27 1.25 4.15 -0.82 -0.09 115.11 119.60 1f8i h GLN 377 Ca 0.02 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.34 1f8i h GLN 377 Cb 0.31 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 1f8i h GLN 377 CO 0.00 0.30 -0.12 0.93 -1.93 0.00 0.00 178.83 178.01 1f8i h GLU 378 N 0.46 0.44 -0.26 1.69 4.39 -1.01 0.55 114.58 120.83 1f8i h GLU 378 Ca 0.34 -0.12 -0.10 0.00 0.34 0.00 0.00 59.36 59.82 1f8i h GLU 378 Cb 0.42 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1f8i h GLU 378 CO -0.32 0.56 -0.25 0.00 -1.16 0.00 0.00 179.01 177.85 1f8i h ARG 379 N 0.41 0.51 -0.08 2.33 3.08 -0.39 -1.01 114.38 119.22 1f8i h ARG 379 Ca 0.08 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 1f8i h ARG 379 Cb 0.46 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 1f8i h ARG 379 CO 0.03 0.72 -0.01 0.93 -1.07 0.00 0.00 179.97 180.57 1f8i h GLU 380 N 0.45 0.15 -0.65 0.04 5.08 0.08 -0.24 114.58 119.49 1f8i h GLU 380 Ca 0.07 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 1f8i h GLU 380 Cb 0.67 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.86 1f8i h GLU 380 CO 0.05 0.43 0.36 0.74 -1.00 0.00 0.00 179.01 179.59 1f8i h PHE 381 N -0.15 0.67 -0.39 4.33 0.04 -0.80 -1.93 116.94 118.71 1f8i h PHE 381 Ca 0.02 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.75 1f8i h PHE 381 Cb 0.37 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.29 1f8i h PHE 381 CO 0.04 0.33 -0.03 0.00 -0.60 0.00 0.00 178.31 178.05 1f8i h ALA 382 N 1.33 1.23 0.00 2.45 0.00 -1.05 -2.58 119.26 120.65 1f8i h ALA 382 Ca 0.29 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1f8i h ALA 382 Cb 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1f8i h ALA 382 CO -0.17 0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.59 1f8i n ALA 383 N -2.48 1.61 0.13 0.00 0.00 -0.11 -3.13 120.51 116.53 1f8i n ALA 383 Ca 0.02 0.04 0.06 0.00 0.00 0.00 0.00 53.44 53.55 1f8i n ALA 383 Cb 0.28 -1.31 0.53 0.00 0.00 0.00 0.00 19.45 18.95 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 0.27 0.00 0.00 5.08 -1.24 0.84 114.58 119.53 1f8i h GLU 384 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1f8i h GLU 384 Cb 0.29 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1f8i h GLU 384 CO 0.00 0.19 0.00 1.05 -1.00 0.00 0.00 179.01 179.25 1f8i h GLU 385 N 0.28 0.00 -0.01 2.33 4.11 -1.76 0.08 114.58 119.61 1f8i h GLU 385 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.50 1f8i h GLU 385 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1f8i h GLU 385 CO -0.01 0.00 -0.33 0.54 0.07 0.00 0.00 179.01 179.28 1f8i n ARG 386 N -2.45 0.91 0.00 1.06 1.74 0.26 -4.93 116.66 113.25 1f8i n ARG 386 Ca 0.01 -0.61 0.00 0.00 -0.77 0.00 0.00 57.85 56.48 1f8i n ARG 386 Cb 0.22 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 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 0.81 3.75 -0.13 0.00 0.01 -5.02 105.19 105.98 1f8i n GLY 387 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1f8i n GLY 387 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1f8i s TYR 388 N -2.00 2.89 0.00 1.61 5.04 -1.03 -4.92 117.35 118.94 1f8i s TYR 388 Ca 0.00 0.87 0.00 0.00 -2.44 0.00 0.00 57.07 55.50 1f8i s TYR 388 Cb 0.00 -3.96 0.00 0.00 0.35 0.00 0.00 41.96 38.35 1f8i s TYR 388 CO 0.00 -3.20 0.00 0.25 -1.34 0.00 0.00 175.55 171.26 1f8i n THR 389 N 2.37 0.00 0.24 4.34 -2.24 -1.26 -4.21 114.28 113.52 1f8i n THR 389 Ca 0.08 -0.33 0.03 0.00 -2.27 0.00 0.00 64.05 61.56 1f8i n THR 389 Cb 0.39 0.92 0.15 0.00 -2.10 0.00 0.00 70.33 69.69 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 -0.80 1.32 -0.31 6.98 0.00 -1.26 -2.71 120.51 123.72 1f8i n ALA 390 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 53.44 53.46 1f8i n ALA 390 Cb 0.00 -1.11 0.19 0.00 0.00 0.00 0.00 19.45 18.53 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 0.90 -2.11 0.00 2.02 -1.89 -2.66 112.91 109.17 1f8i h THR 391 Ca 0.00 -0.29 -0.73 0.00 0.77 0.00 0.00 66.41 66.16 1f8i h THR 391 Cb 0.12 -0.01 -0.17 0.00 -1.74 0.00 0.00 68.15 66.35 1f8i h THR 391 CO 0.00 0.15 1.38 -0.54 0.37 0.00 0.00 175.52 176.88 1f8i s LYS 392 N -6.01 4.07 0.43 6.66 1.02 -1.10 -4.86 119.74 119.95 1f8i s LYS 392 Ca -0.12 -2.52 0.12 0.00 0.02 0.00 0.00 55.97 53.46 1f8i s LYS 392 Cb 0.20 -5.08 0.97 0.00 -0.52 0.00 0.00 37.83 33.40 1f8i s LYS 392 CO 0.79 -1.79 2.00 1.12 -0.92 0.00 0.00 175.35 176.55 1f8i h HIS 393 N 7.24 0.46 0.72 3.18 2.07 -1.74 -2.71 115.15 124.38 1f8i h HIS 393 Ca 0.32 0.01 -0.03 0.00 -2.85 0.00 0.00 60.37 57.82 1f8i h HIS 393 Cb 0.88 -0.15 0.00 0.00 2.57 0.00 0.00 27.41 30.71 1f8i h HIS 393 CO 1.12 0.24 -0.37 1.96 -3.07 0.00 0.00 177.93 177.81 1f8i h GLN 394 N 0.46 -0.97 -0.35 5.12 1.08 -1.89 -1.93 115.11 116.62 1f8i h GLN 394 Ca 0.24 0.07 -0.08 0.00 -1.45 0.00 0.00 58.65 57.43 1f8i h GLN 394 Cb 0.36 0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.99 1f8i h GLN 394 CO -0.07 -0.65 -0.10 0.07 -0.95 0.00 0.00 178.83 177.14 1f8i h ARG 395 N -1.01 0.61 -0.51 1.46 0.11 -1.93 -1.14 114.38 111.96 1f8i h ARG 395 Ca -0.10 -0.18 0.10 0.00 0.10 0.00 0.00 59.98 59.91 1f8i h ARG 395 Cb 0.78 -0.06 -0.03 0.00 1.11 0.00 0.00 29.97 31.77 1f8i h ARG 395 CO 0.14 0.70 0.35 1.49 0.10 0.00 0.00 179.97 182.75 1f8i h GLU 396 N 0.56 0.24 -0.48 0.08 4.57 -1.28 -0.89 114.58 117.39 1f8i h GLU 396 Ca 0.10 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1f8i h GLU 396 Cb 0.51 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 1f8i h GLU 396 CO 0.03 0.16 0.00 1.55 -1.18 0.00 0.00 179.01 179.57 1f8i n VAL 397 N -4.45 0.62 0.00 0.32 3.14 -0.74 -4.91 118.33 112.31 1f8i n VAL 397 Ca 0.08 -0.81 0.00 0.00 -2.96 0.00 0.00 64.34 60.65 1f8i n VAL 397 Cb 0.40 0.87 0.00 0.00 -1.06 0.00 0.00 33.84 34.06 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 1.55 0.89 0.37 7.55 0.00 -0.34 -4.99 105.19 110.22 1f8i n GLY 398 Ca 0.21 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.32 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 1.74 -0.33 4.61 0.00 -1.38 -0.51 119.26 123.38 1f8i h ALA 399 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1f8i h ALA 399 Cb 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1f8i h ALA 399 CO 0.00 0.05 -0.44 0.78 0.00 0.00 0.00 179.25 179.64 1f8i h GLY 400 N 0.78 0.94 0.86 0.00 0.00 -1.81 -2.50 103.07 101.33 1f8i h GLY 400 Ca 0.42 -1.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.75 1f8i h GLY 400 CO -0.18 0.90 0.00 -1.82 0.00 0.00 0.00 176.54 175.44 1f8i h TYR 401 N 0.69 0.01 0.00 5.60 3.20 -1.49 -2.07 116.97 122.91 1f8i h TYR 401 Ca 0.04 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 1f8i h TYR 401 Cb 1.03 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.30 1f8i h TYR 401 CO 0.06 0.15 -0.08 0.74 -1.64 0.00 0.00 178.16 177.40 1f8i h PHE 402 N -0.14 0.00 -0.39 -3.82 -1.00 -1.25 -1.31 116.94 109.03 1f8i h PHE 402 Ca 0.00 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.62 1f8i h PHE 402 Cb 0.15 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.70 1f8i h PHE 402 CO -0.03 0.08 -0.38 -0.44 -1.61 0.00 0.00 178.31 175.94 1f8i h ASP 403 N 0.00 0.99 -0.64 2.17 3.32 -1.03 -0.59 116.42 120.64 1f8i h ASP 403 Ca -0.00 -0.45 -0.01 0.00 0.02 0.00 0.00 57.03 56.59 1f8i h ASP 403 Cb 0.42 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 1f8i h ASP 403 CO 0.01 1.25 0.35 -0.09 -1.72 0.00 0.00 179.24 179.03 1f8i h ARG 404 N 0.76 0.89 -0.30 3.56 9.65 -0.59 0.51 114.38 128.87 1f8i h ARG 404 Ca 0.06 -0.11 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1f8i h ARG 404 Cb 0.97 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 29.36 1f8i h ARG 404 CO 0.09 0.67 0.19 0.82 2.80 0.00 0.00 179.97 184.55 1f8i h ILE 405 N 0.87 1.10 -0.34 1.20 2.04 -1.08 -1.22 117.51 120.07 1f8i h ILE 405 Ca 0.22 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1f8i h ILE 405 Cb 0.05 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1f8i h ILE 405 CO -0.04 0.09 0.22 0.00 0.00 0.00 0.00 178.15 178.43 1f8i h ALA 406 N 1.08 0.43 0.00 1.87 0.00 -0.48 -0.41 119.26 121.75 1f8i h ALA 406 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1f8i h ALA 406 Cb -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1f8i h ALA 406 CO -0.02 -0.09 0.00 0.25 0.00 0.00 0.00 179.25 179.38 1f8i n THR 407 N -4.84 0.75 0.09 0.00 -2.24 0.12 -0.30 114.28 107.86 1f8i n THR 407 Ca -0.01 0.10 -0.22 0.00 -2.27 0.00 0.00 64.05 61.65 1f8i n THR 407 Cb 0.03 -0.97 -0.15 0.00 -2.10 0.00 0.00 70.33 67.14 1f8i n THR 407 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1f8i h THR 408 N 0.00 1.34 -0.40 4.28 2.02 -0.32 -1.00 112.91 118.83 1f8i h THR 408 Ca 0.00 -2.59 -0.13 0.00 0.77 0.00 0.00 66.41 64.46 1f8i h THR 408 Cb 0.44 3.07 -0.01 0.00 -1.74 0.00 0.00 68.15 69.91 1f8i h THR 408 CO 0.00 0.76 -0.24 0.58 0.37 0.00 0.00 175.52 176.99 1f8i h VAL 409 N -0.13 1.28 -1.65 3.16 2.07 -0.60 -3.41 116.25 116.96 1f8i h VAL 409 Ca -0.22 -1.40 -0.24 0.00 0.82 0.00 0.00 66.70 65.66 1f8i h VAL 409 Cb 1.90 1.31 -0.27 0.00 -1.52 0.00 0.00 31.29 32.70 1f8i h VAL 409 CO 0.20 0.47 -0.59 -0.62 0.02 0.00 0.00 177.57 177.05 1f8i s ASP 410 N -6.63 0.30 0.55 0.57 2.15 0.60 -5.02 116.67 109.18 1f8i s ASP 410 Ca -0.12 -1.04 0.28 0.00 0.43 0.00 0.00 52.55 52.10 1f8i s ASP 410 Cb 0.11 1.05 1.45 0.00 -0.30 0.00 0.00 42.92 45.23 1f8i s ASP 410 CO 0.85 -0.27 1.94 1.55 -0.17 0.00 0.00 175.17 179.08 1f8i h PRO 411 N 7.37 0.00 -0.20 4.34 0.13 -1.37 0.11 132.00 142.39 1f8i h PRO 411 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1f8i h PRO 411 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1f8i h PRO 411 CO 0.20 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.06 1f8i n ASN 412 N -4.17 1.33 -4.65 1.44 3.02 -1.26 -4.90 115.26 106.07 1f8i n ASN 412 Ca 0.12 -1.82 -0.50 0.00 -0.03 0.00 0.00 54.58 52.35 1f8i n ASN 412 Cb 0.73 -0.13 -0.05 0.00 -0.61 0.00 0.00 39.78 39.72 1f8i n ASN 412 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1f8i n SER 413 N 0.16 2.54 -1.65 6.41 2.88 0.40 -4.87 113.62 119.48 1f8i n SER 413 Ca 0.12 1.08 0.02 0.00 -1.33 0.00 0.00 58.87 58.76 1f8i n SER 413 Cb 0.24 -1.29 0.29 0.00 -0.75 0.00 0.00 64.21 62.70 1f8i n SER 413 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1f8i n SER 414 N 3.97 4.55 -1.72 -3.46 3.41 -1.26 -4.32 113.62 114.79 1f8i n SER 414 Ca 0.20 -2.80 -0.04 0.00 -0.26 0.00 0.00 58.87 55.97 1f8i n SER 414 Cb 0.23 -0.66 0.08 0.00 -0.26 0.00 0.00 64.21 63.59 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 0.31 1.57 -1.37 6.66 -2.24 -1.26 -5.08 114.28 112.87 1f8i n THR 415 Ca 0.25 -2.92 -0.30 0.00 -2.27 0.00 0.00 64.05 58.81 1f8i n THR 415 Cb 1.05 0.16 0.10 0.00 -2.10 0.00 0.00 70.33 69.55 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 -3.00 3.07 -0.23 4.28 -4.23 -1.26 -5.03 115.64 109.23 1f8i s THR 416 Ca 0.38 0.35 -0.16 0.00 -1.18 0.00 0.00 61.69 61.08 1f8i s THR 416 Cb 0.37 -2.95 -0.12 0.00 1.34 0.00 0.00 72.50 71.15 1f8i s THR 416 CO -0.06 -0.46 -0.22 0.00 -0.54 0.00 0.00 174.62 173.35 1f8i n ALA 417 N -3.58 0.99 -0.35 3.99 0.00 -1.26 -4.68 120.51 115.62 1f8i n ALA 417 Ca 0.07 -0.87 -0.03 0.00 0.00 0.00 0.00 53.44 52.62 1f8i n ALA 417 Cb 0.55 -0.04 0.10 0.00 0.00 0.00 0.00 19.45 20.05 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 1.09 -9.33 0.00 3.38 -1.96 -3.37 115.31 104.12 1f8i h LEU 418 Ca -0.44 -0.04 -0.54 0.00 0.09 0.00 0.00 57.88 56.95 1f8i h LEU 418 Cb 1.35 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 41.84 1f8i h LEU 418 CO -0.27 0.80 1.22 -0.89 0.09 0.00 0.00 178.44 179.39 1f8i s THR 419 N -6.09 3.12 0.00 0.22 2.01 -1.26 -1.17 115.64 112.47 1f8i s THR 419 Ca -0.13 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.01 1f8i s THR 419 Cb 0.17 -3.09 0.00 0.00 0.01 0.00 0.00 72.50 69.59 1f8i s THR 419 CO 0.81 -0.02 0.00 0.61 -0.69 0.00 0.00 174.62 175.34 1f8i n GLY 420 N 4.52 0.68 3.88 4.40 0.00 -1.26 -4.99 105.19 112.41 1f8i n GLY 420 Ca 0.20 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.00 6.52 0.47 1.61 1.04 -0.31 -4.97 113.70 116.06 1f8i s SER 421 Ca 0.00 1.07 0.19 0.00 0.48 0.00 0.00 55.95 57.69 1f8i s SER 421 Cb 0.00 -2.30 1.15 0.00 0.10 0.00 0.00 66.02 64.97 1f8i s SER 421 CO 0.00 -0.35 2.02 0.71 0.98 0.00 0.00 173.24 176.60 1f8i h THR 422 N 1.19 0.96 -0.60 2.02 1.35 -1.94 -2.09 112.91 113.79 1f8i h THR 422 Ca -0.47 -0.60 -0.08 0.00 -0.55 0.00 0.00 66.41 64.71 1f8i h THR 422 Cb 1.19 1.34 -0.02 0.00 -1.73 0.00 0.00 68.15 68.92 1f8i h THR 422 CO 0.64 0.16 0.06 -0.08 -0.25 0.00 0.00 175.52 176.05 1f8i h GLU 423 N 0.00 1.01 -0.22 4.72 4.81 -1.93 0.52 114.58 123.49 1f8i h GLU 423 Ca -0.00 -0.28 -0.14 0.00 -0.13 0.00 0.00 59.36 58.81 1f8i h GLU 423 Cb 0.32 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1f8i h GLU 423 CO 0.02 0.96 -0.45 1.49 -0.73 0.00 0.00 179.01 180.30 1f8i h GLU 424 N 0.94 0.54 -0.02 1.92 4.81 -1.66 -2.30 114.58 118.81 1f8i h GLU 424 Ca 0.18 -0.30 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1f8i h GLU 424 Cb 0.46 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1f8i h GLU 424 CO 0.02 0.89 -0.10 0.41 -0.73 0.00 0.00 179.01 179.50 1f8i n GLY 425 N 0.06 0.58 0.00 1.92 0.00 -0.90 -4.50 105.19 102.36 1f8i n GLY 425 Ca -0.02 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 0.81 1.62 0.00 1.61 6.02 0.18 -5.05 117.38 122.58 1f8i n GLN 426 Ca 0.14 -0.10 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 1f8i n GLN 426 Cb 0.52 -0.44 0.00 0.00 1.02 0.00 0.00 30.24 31.34 1f8i n GLN 426 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24