#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x0r s GLY 3 N 0.00 0.62 -0.19 -1.23 0.00 -1.26 -5.12 107.32 100.14 1x0r s GLY 3 Ca 0.00 -0.99 -0.15 0.00 0.00 0.00 0.00 44.72 43.58 1x0r s GLY 3 CO 0.00 -0.86 0.35 -0.45 0.00 0.00 0.00 173.10 172.14 1x0r s SER 4 N -3.00 6.42 0.11 1.64 0.15 -1.26 -5.07 113.70 112.69 1x0r s SER 4 Ca 0.21 0.49 0.07 0.00 0.70 0.00 0.00 55.95 57.42 1x0r s SER 4 Cb 0.03 -2.21 -0.04 0.00 -1.71 0.00 0.00 66.02 62.09 1x0r s SER 4 CO 0.04 -0.01 -0.16 0.27 1.20 0.00 0.00 173.24 174.58 1x0r s ILE 5 N 1.00 1.43 1.10 6.45 -4.36 -1.26 -3.11 121.20 122.45 1x0r s ILE 5 Ca 0.18 -1.60 -0.13 0.00 -0.26 0.00 0.00 60.65 58.83 1x0r s ILE 5 Cb -0.14 -1.47 0.25 0.00 1.25 0.00 0.00 42.46 42.35 1x0r s ILE 5 CO 0.07 -0.28 1.05 -2.84 0.24 0.00 0.00 174.94 173.18 1x0r s PRO 6 N -2.29 -0.43 0.16 0.37 0.02 -1.26 -5.00 135.00 126.56 1x0r s PRO 6 Ca 0.07 0.66 0.08 0.00 0.02 0.00 0.00 61.00 61.83 1x0r s PRO 6 Cb -0.07 -1.62 -0.04 0.00 0.02 0.00 0.00 34.50 32.78 1x0r s PRO 6 CO 0.04 -3.35 -0.17 -0.51 -0.33 0.00 0.00 177.00 172.67 1x0r s LEU 7 N -6.92 2.43 0.25 -5.54 1.43 -1.26 -5.06 118.68 104.02 1x0r s LEU 7 Ca 0.67 -0.86 -0.31 0.00 -1.03 0.00 0.00 54.13 52.60 1x0r s LEU 7 Cb -0.22 -0.78 -0.13 0.00 0.03 0.00 0.00 46.19 45.09 1x0r s LEU 7 CO 0.62 -0.06 1.45 -0.38 0.23 0.00 0.00 176.35 178.21 1x0r n ILE 8 N 0.32 0.93 0.00 -0.59 5.41 -1.26 -0.66 119.36 123.51 1x0r n ILE 8 Ca -0.13 -0.23 0.00 0.00 1.00 0.00 0.00 62.75 63.38 1x0r n ILE 8 Cb 0.57 -1.57 0.00 0.00 -0.71 0.00 0.00 39.64 37.93 1x0r n ILE 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1x0r n GLY 9 N 2.20 3.33 3.87 7.39 0.00 0.10 -4.99 105.19 117.10 1x0r n GLY 9 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1x0r n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x0r s GLU 10 N -0.69 3.80 0.33 1.61 2.02 0.17 -4.78 118.70 121.16 1x0r s GLU 10 Ca 0.00 0.54 -0.28 0.00 0.02 0.00 0.00 54.97 55.25 1x0r s GLU 10 Cb 0.00 -2.35 -0.10 0.00 0.10 0.00 0.00 34.13 31.78 1x0r s GLU 10 CO 0.00 -0.07 1.22 0.50 0.02 0.00 0.00 175.26 176.94 1x0r s ARG 11 N -3.87 4.39 0.35 1.61 3.52 -1.26 -0.42 118.95 123.26 1x0r s ARG 11 Ca 0.52 2.04 -0.28 0.00 -0.13 0.00 0.00 55.73 57.88 1x0r s ARG 11 Cb -0.10 -3.04 -0.11 0.00 -1.56 0.00 0.00 34.95 30.14 1x0r s ARG 11 CO 0.31 -0.09 1.45 0.12 -0.81 0.00 0.00 175.30 176.28 1x0r s PHE 12 N -1.19 2.72 -0.03 5.12 5.36 0.34 -4.80 117.98 125.50 1x0r s PHE 12 Ca 0.49 1.18 -0.37 0.00 -0.96 0.00 0.00 56.93 57.28 1x0r s PHE 12 Cb -0.36 -3.94 -0.15 0.00 -0.34 0.00 0.00 43.02 38.23 1x0r s PHE 12 CO 0.47 -2.77 1.60 -2.30 -1.46 0.00 0.00 175.22 170.76 1x0r n PRO 13 N 0.77 1.52 -2.22 10.12 -0.02 -1.26 -4.54 135.00 139.36 1x0r n PRO 13 Ca 0.02 0.55 -0.35 0.00 -2.02 0.00 0.00 63.50 61.70 1x0r n PRO 13 Cb 0.40 -2.27 0.01 0.00 -0.02 0.00 0.00 33.50 31.62 1x0r n PRO 13 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1x0r s GLU 14 N 2.06 3.31 0.00 -0.52 2.12 -1.26 -4.47 118.70 119.94 1x0r s GLU 14 Ca 0.89 1.62 0.07 0.00 0.36 0.00 0.00 54.97 57.91 1x0r s GLU 14 Cb -0.89 -2.00 -0.02 0.00 0.26 0.00 0.00 34.13 31.48 1x0r s GLU 14 CO 0.51 -0.89 -0.21 -1.21 -0.54 0.00 0.00 175.26 172.92 1x0r s GLU 16 N -3.32 1.60 0.01 4.30 2.02 -1.26 -4.98 118.70 117.07 1x0r s GLU 16 Ca 0.73 -0.81 0.00 0.00 0.02 0.00 0.00 54.97 54.91 1x0r s GLU 16 Cb -0.24 -1.60 -0.01 0.00 0.10 0.00 0.00 34.13 32.37 1x0r s GLU 16 CO 0.28 0.43 -0.02 0.14 0.02 0.00 0.00 175.26 176.11 1x0r s VAL 17 N -0.58 0.08 -0.19 2.63 -7.23 0.08 -4.97 120.40 110.23 1x0r s VAL 17 Ca 0.08 -0.61 -0.18 0.00 -1.81 0.00 0.00 61.98 59.46 1x0r s VAL 17 Cb -0.08 -0.18 -0.04 0.00 0.56 0.00 0.00 36.38 36.64 1x0r s VAL 17 CO 0.00 -0.33 0.48 -0.89 -0.31 0.00 0.00 175.10 174.04 1x0r s THR 18 N -0.97 5.15 0.39 5.32 2.01 -1.26 -0.02 115.64 126.25 1x0r s THR 18 Ca -0.11 0.88 0.06 0.00 0.31 0.00 0.00 61.69 62.84 1x0r s THR 18 Cb -0.07 -3.80 -0.08 0.00 0.01 0.00 0.00 72.50 68.56 1x0r s THR 18 CO -0.01 0.22 0.02 0.42 -0.69 0.00 0.00 174.62 174.58 1x0r s THR 19 N 1.37 1.83 -2.00 -0.82 -4.23 0.42 -0.88 115.64 111.33 1x0r s THR 19 Ca 0.23 -2.01 0.05 0.00 -1.18 0.00 0.00 61.69 58.78 1x0r s THR 19 Cb -0.15 -2.94 0.13 0.00 1.34 0.00 0.00 72.50 70.88 1x0r s THR 19 CO 0.09 -0.01 0.87 -0.90 -0.54 0.00 0.00 174.62 174.13 1x0r n ASP 20 N -0.90 0.00 -0.20 3.99 5.75 -0.66 -0.76 116.55 123.77 1x0r n ASP 20 Ca -0.04 -1.15 0.03 0.00 -0.01 0.00 0.00 54.79 53.62 1x0r n ASP 20 Cb 0.67 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.78 1x0r n ASP 20 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1x0r n HIS 21 N -0.61 0.00 0.00 2.11 8.25 -1.26 -4.97 115.22 118.74 1x0r n HIS 21 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1x0r n HIS 21 Cb 0.02 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.13 1x0r n HIS 21 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1x0r n GLY 22 N 0.39 1.51 3.72 -1.41 0.00 0.06 -5.03 105.19 104.44 1x0r n GLY 22 Ca 0.03 -2.09 -0.41 0.00 0.00 0.00 0.00 46.02 43.56 1x0r n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x0r s VAL 23 N -1.29 4.84 0.08 1.61 1.01 -1.26 -0.43 120.40 124.95 1x0r s VAL 23 Ca 0.00 1.79 0.04 0.00 0.00 0.00 0.00 61.98 63.81 1x0r s VAL 23 Cb 0.00 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 1x0r s VAL 23 CO 0.00 0.25 -0.11 0.27 0.00 0.00 0.00 175.10 175.52 1x0r s ILE 24 N 0.57 0.91 -0.19 2.22 -4.36 0.98 -4.91 121.20 116.41 1x0r s ILE 24 Ca 0.44 -1.44 -0.13 0.00 -0.26 0.00 0.00 60.65 59.26 1x0r s ILE 24 Cb -0.20 -1.14 -0.05 0.00 1.25 0.00 0.00 42.46 42.32 1x0r s ILE 24 CO 0.24 -0.44 0.26 -0.75 0.24 0.00 0.00 174.94 174.49 1x0r s LYS 25 N -2.28 4.19 -0.03 0.37 2.20 -1.26 -0.74 119.74 122.18 1x0r s LYS 25 Ca 0.00 -0.01 0.00 0.00 -0.36 0.00 0.00 55.97 55.60 1x0r s LYS 25 Cb -0.06 -3.47 -0.03 0.00 -1.51 0.00 0.00 37.83 32.75 1x0r s LYS 25 CO 0.01 0.15 0.00 -0.51 -0.36 0.00 0.00 175.35 174.64 1x0r s LEU 26 N 0.76 3.53 0.00 5.43 1.43 -1.26 0.04 118.68 128.62 1x0r s LEU 26 Ca 0.14 0.04 0.29 0.00 -1.03 0.00 0.00 54.13 53.57 1x0r s LEU 26 Cb -0.13 -1.95 1.23 0.00 0.03 0.00 0.00 46.19 45.36 1x0r s LEU 26 CO 0.04 0.31 1.85 -0.81 0.23 0.00 0.00 176.35 177.97 1x0r n PRO 27 N 1.64 0.89 -0.32 1.29 -0.04 -1.26 -4.14 135.00 133.06 1x0r n PRO 27 Ca -0.16 -0.34 0.06 0.00 -0.04 0.00 0.00 63.50 63.01 1x0r n PRO 27 Cb 0.53 -1.49 0.21 0.00 -0.04 0.00 0.00 33.50 32.71 1x0r n PRO 27 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1x0r h ASP 28 N 0.84 0.73 -1.00 3.54 5.19 -1.94 -0.30 116.42 123.49 1x0r h ASP 28 Ca 0.00 0.06 0.22 0.00 -0.62 0.00 0.00 57.03 56.69 1x0r h ASP 28 Cb 0.35 -0.08 -0.10 0.00 0.18 0.00 0.00 39.33 39.69 1x0r h ASP 28 CO 0.00 0.38 0.63 -0.74 -3.12 0.00 0.00 179.24 176.38 1x0r h HIS 29 N 0.82 0.83 0.06 4.55 2.76 -0.74 -0.77 115.15 122.66 1x0r h HIS 29 Ca 0.45 0.03 -0.35 0.00 -2.20 0.00 0.00 60.37 58.30 1x0r h HIS 29 Cb 0.50 -0.25 -0.04 0.00 1.55 0.00 0.00 27.41 29.17 1x0r h HIS 29 CO -0.05 0.14 -2.01 0.66 -1.30 0.00 0.00 177.93 175.38 1x0r n TYR 30 N -4.68 0.79 -0.21 5.26 4.02 -0.24 -4.04 117.16 118.07 1x0r n TYR 30 Ca 0.24 0.22 0.00 0.00 -0.01 0.00 0.00 57.90 58.34 1x0r n TYR 30 Cb 0.71 -1.10 0.08 0.00 -0.02 0.00 0.00 39.34 39.02 1x0r n TYR 30 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1x0r h VAL 31 N -0.29 0.42 -0.89 -0.72 2.07 -1.06 0.31 116.25 116.10 1x0r h VAL 31 Ca -0.48 -0.02 0.26 0.00 0.82 0.00 0.00 66.70 67.28 1x0r h VAL 31 Cb 1.80 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 1x0r h VAL 31 CO -0.07 0.01 0.65 0.28 0.02 0.00 0.00 177.57 178.46 1x0r h SER 32 N 0.05 0.00 -0.11 0.57 0.02 -1.34 1.09 113.55 113.84 1x0r h SER 32 Ca 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1x0r h SER 32 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 1x0r h SER 32 CO -0.59 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.10 1x0r n GLN 33 N -4.21 2.22 -1.08 3.45 6.02 0.10 -4.93 117.38 118.95 1x0r n GLN 33 Ca 0.18 -1.79 -0.03 0.00 -0.01 0.00 0.00 57.00 55.36 1x0r n GLN 33 Cb 0.97 -1.47 -0.01 0.00 1.02 0.00 0.00 30.24 30.75 1x0r n GLN 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1x0r n GLY 34 N 1.34 0.60 3.90 1.08 0.00 0.38 -5.02 105.19 107.46 1x0r n GLY 34 Ca 0.16 -0.50 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 1x0r n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x0r s LYS 35 N -1.60 3.37 0.61 1.61 1.02 -0.73 -4.82 119.74 119.19 1x0r s LYS 35 Ca 0.00 -0.45 -0.01 0.00 0.02 0.00 0.00 55.97 55.54 1x0r s LYS 35 Cb 0.00 -3.01 0.05 0.00 -0.52 0.00 0.00 37.83 34.35 1x0r s LYS 35 CO 0.00 0.62 0.86 -1.58 -0.92 0.00 0.00 175.35 174.33 1x0r s TRP 36 N -1.45 2.69 0.05 3.18 0.52 -0.51 -3.81 118.94 119.61 1x0r s TRP 36 Ca 0.33 0.05 -0.10 0.00 0.02 0.00 0.00 56.10 56.39 1x0r s TRP 36 Cb -0.13 -2.89 0.01 0.00 -1.15 0.00 0.00 33.47 29.31 1x0r s TRP 36 CO 0.25 -1.11 0.22 -0.59 0.02 0.00 0.00 176.95 175.74 1x0r s PHE 37 N -2.92 0.04 -0.20 -1.98 -0.12 -0.27 -0.64 117.98 111.88 1x0r s PHE 37 Ca 0.59 -0.29 -0.04 0.00 -0.05 0.00 0.00 56.93 57.15 1x0r s PHE 37 Cb -0.10 -0.00 -0.02 0.00 -0.63 0.00 0.00 43.02 42.27 1x0r s PHE 37 CO 0.41 -0.47 -0.03 0.08 -0.05 0.00 0.00 175.22 175.15 1x0r s VAL 38 N -2.85 3.64 -0.23 -2.49 1.01 0.19 -0.95 120.40 118.71 1x0r s VAL 38 Ca -0.03 -0.42 -0.06 0.00 0.00 0.00 0.00 61.98 61.47 1x0r s VAL 38 Cb 0.00 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 1x0r s VAL 38 CO -0.05 0.43 0.04 -0.22 0.00 0.00 0.00 175.10 175.30 1x0r s LEU 39 N 1.13 3.34 0.13 3.92 1.98 -0.18 -1.28 118.68 127.72 1x0r s LEU 39 Ca 0.02 -0.22 0.07 0.00 -2.89 0.00 0.00 54.13 51.11 1x0r s LEU 39 Cb -0.15 -1.88 -0.04 0.00 0.66 0.00 0.00 46.19 44.79 1x0r s LEU 39 CO 0.00 -0.00 -0.15 0.72 -1.89 0.00 0.00 176.35 175.03 1x0r s PHE 40 N 1.41 1.50 0.28 5.38 -0.12 -0.57 -0.23 117.98 125.64 1x0r s PHE 40 Ca 0.05 -0.52 0.11 0.00 -0.05 0.00 0.00 56.93 56.52 1x0r s PHE 40 Cb -0.15 -0.78 -0.05 0.00 -0.63 0.00 0.00 43.02 41.41 1x0r s PHE 40 CO 0.02 0.18 -0.09 -1.54 -0.05 0.00 0.00 175.22 173.75 1x0r s SER 41 N -2.40 4.10 0.03 1.98 1.04 -0.15 -1.41 113.70 116.89 1x0r s SER 41 Ca 0.09 -0.84 -0.02 0.00 0.48 0.00 0.00 55.95 55.66 1x0r s SER 41 Cb -0.06 -0.58 -0.02 0.00 0.10 0.00 0.00 66.02 65.46 1x0r s SER 41 CO 0.04 -0.01 0.02 -1.38 0.98 0.00 0.00 173.24 172.89 1x0r s HIS 42 N -2.42 0.27 0.20 5.02 -3.43 -0.36 -3.85 115.29 110.71 1x0r s HIS 42 Ca 0.31 -0.58 -0.10 0.00 -0.80 0.00 0.00 55.06 53.89 1x0r s HIS 42 Cb -0.05 -0.20 0.14 0.00 -1.43 0.00 0.00 32.58 31.04 1x0r s HIS 42 CO 0.18 -0.28 1.84 -1.00 -2.00 0.00 0.00 174.74 173.48 1x0r h PRO 43 N 4.11 1.01 -1.56 -0.38 0.13 -1.73 -3.40 132.00 130.17 1x0r h PRO 43 Ca -0.32 -0.10 0.10 0.00 -0.87 0.00 0.00 66.00 64.80 1x0r h PRO 43 Cb 1.19 -0.21 -0.27 0.00 0.13 0.00 0.00 31.00 31.85 1x0r h PRO 43 CO 0.48 0.73 0.40 0.00 -0.23 0.00 0.00 178.00 179.37 1x0r s ALA 44 N -5.93 -2.18 0.84 -0.56 0.00 -1.26 -4.28 121.76 108.40 1x0r s ALA 44 Ca -0.13 2.12 -0.13 0.00 0.00 0.00 0.00 51.96 53.82 1x0r s ALA 44 Cb 0.15 -1.63 0.06 0.00 0.00 0.00 0.00 23.12 21.69 1x0r s ALA 44 CO 0.79 -0.31 0.87 -0.25 0.00 0.00 0.00 175.76 176.85 1x0r n ASP 45 N 3.30 -0.28 -3.30 0.00 9.92 -1.26 -3.06 116.55 121.86 1x0r n ASP 45 Ca -0.17 0.50 -0.23 0.00 -0.53 0.00 0.00 54.79 54.35 1x0r n ASP 45 Cb 0.57 -1.37 0.05 0.00 -0.64 0.00 0.00 41.12 39.73 1x0r n ASP 45 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1x0r n PHE 46 N -3.34 -2.36 -4.35 1.24 3.01 -1.26 -5.00 117.46 105.39 1x0r n PHE 46 Ca 0.11 0.74 -0.18 0.00 1.01 0.00 0.00 57.45 59.12 1x0r n PHE 46 Cb 0.51 -4.67 -0.15 0.00 -0.01 0.00 0.00 39.48 35.16 1x0r n PHE 46 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1x0r s THR 47 N -3.24 0.69 0.17 4.37 -4.23 -1.17 -5.10 115.64 107.13 1x0r s THR 47 Ca 0.44 -0.37 -0.14 0.00 -1.18 0.00 0.00 61.69 60.44 1x0r s THR 47 Cb -0.20 -0.58 0.05 0.00 1.34 0.00 0.00 72.50 73.12 1x0r s THR 47 CO 0.54 0.20 1.81 1.55 -0.54 0.00 0.00 174.62 178.17 1x0r h PRO 48 N 5.96 0.69 -0.06 3.99 0.13 -1.94 -1.54 132.00 139.23 1x0r h PRO 48 Ca -0.31 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 64.75 1x0r h PRO 48 Cb 1.18 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 1x0r h PRO 48 CO 0.50 0.50 -0.04 0.28 -0.23 0.00 0.00 178.00 179.00 1x0r h VAL 49 N 0.69 1.35 -0.97 1.56 2.07 -1.99 -0.54 116.25 118.41 1x0r h VAL 49 Ca 0.18 -1.10 0.21 0.00 0.82 0.00 0.00 66.70 66.81 1x0r h VAL 49 Cb -0.02 1.96 -0.11 0.00 -1.52 0.00 0.00 31.29 31.60 1x0r h VAL 49 CO -0.04 0.30 0.56 0.00 0.02 0.00 0.00 177.57 178.41 1x0r h THR 51 N 0.63 1.24 -0.07 0.00 2.02 -0.86 -0.70 112.91 115.19 1x0r h THR 51 Ca 0.59 -0.88 -0.04 0.00 0.77 0.00 0.00 66.41 66.85 1x0r h THR 51 Cb 1.01 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 1x0r h THR 51 CO -0.43 0.31 -0.13 0.71 0.37 0.00 0.00 175.52 176.34 1x0r h THR 52 N 0.57 1.14 -0.27 3.16 1.35 0.69 -1.81 112.91 117.73 1x0r h THR 52 Ca 0.13 -0.62 -0.14 0.00 -0.55 0.00 0.00 66.41 65.23 1x0r h THR 52 Cb 0.37 1.24 -0.00 0.00 -1.73 0.00 0.00 68.15 68.03 1x0r h THR 52 CO 0.01 0.19 -0.39 -0.33 -0.25 0.00 0.00 175.52 174.74 1x0r h GLU 53 N 0.10 0.75 -0.83 4.72 5.08 -0.42 -0.78 114.58 123.20 1x0r h GLU 53 Ca 0.02 -0.44 -0.02 0.00 -1.00 0.00 0.00 59.36 57.92 1x0r h GLU 53 Cb 0.30 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 1x0r h GLU 53 CO 0.02 1.06 0.43 0.74 -1.00 0.00 0.00 179.01 180.26 1x0r h PHE 54 N 0.49 1.17 -0.32 4.33 -1.00 -1.03 0.46 116.94 121.04 1x0r h PHE 54 Ca 0.03 -0.04 -0.13 0.00 2.81 0.00 0.00 57.97 60.63 1x0r h PHE 54 Cb 0.98 -0.37 -0.01 0.00 3.61 0.00 0.00 35.95 40.16 1x0r h PHE 54 CO 0.08 0.83 -0.35 0.28 -1.61 0.00 0.00 178.31 177.54 1x0r h VAL 55 N 1.17 1.28 -0.49 -0.55 2.07 -1.25 0.48 116.25 118.96 1x0r h VAL 55 Ca 0.29 -1.50 -0.12 0.00 0.82 0.00 0.00 66.70 66.19 1x0r h VAL 55 Cb 0.07 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1x0r h VAL 55 CO -0.04 0.49 -0.15 -1.28 0.02 0.00 0.00 177.57 176.60 1x0r h SER 56 N 0.59 0.99 -0.43 0.57 0.87 0.14 0.84 113.55 117.13 1x0r h SER 56 Ca 0.06 -0.37 -0.14 0.00 -1.23 0.00 0.00 61.79 60.10 1x0r h SER 56 Cb 0.87 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 1x0r h SER 56 CO 0.08 1.14 -0.28 -0.26 -0.53 0.00 0.00 176.83 176.97 1x0r h PHE 57 N 0.84 1.13 -0.90 2.24 -1.00 0.10 -2.83 116.94 116.51 1x0r h PHE 57 Ca 0.12 -0.30 -0.02 0.00 2.81 0.00 0.00 57.97 60.59 1x0r h PHE 57 Cb 0.72 -0.25 -0.04 0.00 3.61 0.00 0.00 35.95 39.99 1x0r h PHE 57 CO 0.05 1.12 0.49 0.00 -1.61 0.00 0.00 178.31 178.37 1x0r h ALA 58 N 0.85 1.17 0.00 2.45 0.00 0.58 -1.37 119.26 122.93 1x0r h ALA 58 Ca 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1x0r h ALA 58 Cb 0.87 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1x0r h ALA 58 CO 0.08 0.67 -0.09 0.00 0.00 0.00 0.00 179.25 179.90 1x0r h ARG 59 N 1.26 0.00 -0.40 0.00 3.08 -0.68 -2.94 114.38 114.70 1x0r h ARG 59 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 1x0r h ARG 59 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1x0r h ARG 59 CO -0.05 0.09 0.00 0.54 -1.07 0.00 0.00 179.97 179.48 1x0r n ARG 60 N -3.45 2.39 -0.30 0.04 1.74 -0.73 -4.59 116.66 111.76 1x0r n ARG 60 Ca -0.01 -2.17 -0.06 0.00 -0.77 0.00 0.00 57.85 54.84 1x0r n ARG 60 Cb 0.24 -1.43 0.07 0.00 -1.02 0.00 0.00 32.46 30.32 1x0r n ARG 60 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 1x0r h TYR 61 N 3.59 1.22 -0.01 -1.55 3.20 -1.10 0.33 116.97 122.66 1x0r h TYR 61 Ca 0.00 -0.08 -0.08 0.00 3.14 0.00 0.00 58.73 61.71 1x0r h TYR 61 Cb 0.86 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 1x0r h TYR 61 CO 0.26 0.91 -0.37 1.49 -1.64 0.00 0.00 178.16 178.81 1x0r h GLU 62 N 1.17 0.02 -0.46 1.82 4.81 -1.82 0.32 114.58 120.46 1x0r h GLU 62 Ca 0.27 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.44 1x0r h GLU 62 Cb 0.20 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1x0r h GLU 62 CO -0.03 0.39 0.06 -0.44 -0.73 0.00 0.00 179.01 178.26 1x0r h ASP 63 N 0.02 0.73 -0.51 1.04 3.32 -1.32 0.10 116.42 119.81 1x0r h ASP 63 Ca -0.00 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 1x0r h ASP 63 Cb 0.66 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 1x0r h ASP 63 CO 0.05 0.82 0.30 -0.26 -1.72 0.00 0.00 179.24 178.42 1x0r h PHE 64 N 0.62 0.69 -0.33 4.55 -1.00 -0.41 -2.92 116.94 118.15 1x0r h PHE 64 Ca 0.14 -0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.91 1x0r h PHE 64 Cb 0.40 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.72 1x0r h PHE 64 CO 0.03 0.50 0.21 0.37 -1.61 0.00 0.00 178.31 177.81 1x0r h GLN 65 N 0.69 0.42 -0.83 1.51 5.75 -0.16 -0.11 115.11 122.39 1x0r h GLN 65 Ca 0.18 -0.03 0.20 0.00 -0.15 0.00 0.00 58.65 58.85 1x0r h GLN 65 Cb 0.02 -0.10 -0.05 0.00 1.07 0.00 0.00 27.48 28.42 1x0r h GLN 65 CO -0.03 0.28 0.56 0.00 -2.65 0.00 0.00 178.83 176.99 1x0r h ARG 66 N 0.44 0.28 -7.45 1.69 3.08 -0.74 -3.36 114.38 108.32 1x0r h ARG 66 Ca 0.12 -0.02 -0.46 0.00 0.07 0.00 0.00 59.98 59.70 1x0r h ARG 66 Cb -0.04 -0.06 0.09 0.00 0.08 0.00 0.00 29.97 30.04 1x0r h ARG 66 CO -0.03 0.18 0.30 -0.51 -1.07 0.00 0.00 179.97 178.84 1x0r s LEU 67 N -9.17 2.72 -1.17 3.04 1.43 -0.78 -4.91 118.68 109.84 1x0r s LEU 67 Ca -0.07 0.49 -0.10 0.00 -1.03 0.00 0.00 54.13 53.42 1x0r s LEU 67 Cb 0.22 -3.01 0.23 0.00 0.03 0.00 0.00 46.19 43.66 1x0r s LEU 67 CO 0.77 -1.83 1.44 0.61 0.23 0.00 0.00 176.35 177.57 1x0r n GLY 68 N -3.13 4.25 2.94 -3.19 0.00 -1.26 -4.91 105.19 99.89 1x0r n GLY 68 Ca 0.09 -2.33 -0.23 0.00 0.00 0.00 0.00 46.02 43.55 1x0r n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x0r s VAL 69 N -0.37 0.86 0.44 1.61 1.01 -0.12 -1.43 120.40 122.40 1x0r s VAL 69 Ca 0.36 -0.28 0.08 0.00 0.00 0.00 0.00 61.98 62.14 1x0r s VAL 69 Cb -0.01 -0.85 0.02 0.00 0.00 0.00 0.00 36.38 35.54 1x0r s VAL 69 CO -0.00 0.31 0.59 -1.81 0.00 0.00 0.00 175.10 174.19 1x0r s ASP 70 N 1.04 5.60 -0.02 3.32 1.01 0.19 -3.58 116.67 124.23 1x0r s ASP 70 Ca -0.08 -0.46 0.05 0.00 0.71 0.00 0.00 52.55 52.78 1x0r s ASP 70 Cb -0.14 -0.57 -0.01 0.00 1.01 0.00 0.00 42.92 43.20 1x0r s ASP 70 CO -0.00 -0.82 -0.19 -0.76 0.21 0.00 0.00 175.17 173.61 1x0r s LEU 71 N -4.38 2.01 -0.09 1.23 1.43 -1.26 -0.63 118.68 116.98 1x0r s LEU 71 Ca 0.56 -0.35 -0.04 0.00 -1.03 0.00 0.00 54.13 53.27 1x0r s LEU 71 Cb -0.10 -0.98 0.04 0.00 0.03 0.00 0.00 46.19 45.19 1x0r s LEU 71 CO 0.34 0.21 0.19 -0.51 0.23 0.00 0.00 176.35 176.81 1x0r s ILE 72 N -0.33 -0.10 0.26 -0.59 2.07 -0.41 -4.21 121.20 117.90 1x0r s ILE 72 Ca 0.04 0.20 0.01 0.00 -1.41 0.00 0.00 60.65 59.49 1x0r s ILE 72 Cb -0.08 -0.31 0.05 0.00 0.13 0.00 0.00 42.46 42.24 1x0r s ILE 72 CO 0.00 0.08 0.36 0.61 -1.91 0.00 0.00 174.94 174.08 1x0r n GLY 73 N 4.42 0.96 3.64 1.50 0.00 0.41 -1.51 105.19 114.62 1x0r n GLY 73 Ca -0.22 -2.02 -0.06 0.00 0.00 0.00 0.00 46.02 43.72 1x0r n GLY 73 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1x0r s LEU 74 N 0.00 -0.72 0.22 0.99 1.98 -0.50 -0.30 118.68 120.35 1x0r s LEU 74 Ca 0.24 1.18 -0.15 0.00 -2.89 0.00 0.00 54.13 52.51 1x0r s LEU 74 Cb -0.01 2.09 0.01 0.00 0.66 0.00 0.00 46.19 48.94 1x0r s LEU 74 CO 0.16 -0.19 0.49 -0.94 -1.89 0.00 0.00 176.35 173.98 1x0r s SER 75 N 1.33 -0.15 0.00 3.68 1.04 -0.97 -1.23 113.70 117.40 1x0r s SER 75 Ca -0.08 -0.73 0.11 0.00 0.48 0.00 0.00 55.95 55.73 1x0r s SER 75 Cb -0.04 0.58 0.65 0.00 0.10 0.00 0.00 66.02 67.31 1x0r s SER 75 CO -0.16 -1.10 1.33 1.33 0.98 0.00 0.00 173.24 175.62 1x0r n VAL 76 N -0.35 0.00 -1.83 5.02 0.24 -1.26 -1.32 118.33 118.83 1x0r n VAL 76 Ca -0.06 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 61.95 1x0r n VAL 76 Cb 0.62 -0.25 0.12 0.00 -1.47 0.00 0.00 33.84 32.86 1x0r n VAL 76 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1x0r s ASP 77 N -1.46 3.91 0.80 -1.34 1.11 -1.26 -2.90 116.67 115.52 1x0r s ASP 77 Ca 0.16 0.68 -0.09 0.00 0.18 0.00 0.00 52.55 53.49 1x0r s ASP 77 Cb 0.08 -1.08 0.12 0.00 1.07 0.00 0.00 42.92 43.10 1x0r s ASP 77 CO 0.13 -2.27 1.13 -0.94 1.18 0.00 0.00 175.17 174.39 1x0r s SER 78 N -4.54 4.20 0.48 0.27 1.04 -1.26 -3.52 113.70 110.36 1x0r s SER 78 Ca 0.65 0.31 0.29 0.00 0.48 0.00 0.00 55.95 57.68 1x0r s SER 78 Cb -0.10 -0.72 0.90 0.00 0.10 0.00 0.00 66.02 66.20 1x0r s SER 78 CO 0.51 -2.02 1.81 -0.37 0.98 0.00 0.00 173.24 174.15 1x0r h VAL 79 N -0.96 0.00 -0.30 5.02 -1.51 -1.95 -1.52 116.25 115.04 1x0r h VAL 79 Ca -0.43 -0.71 -0.17 0.00 -1.23 0.00 0.00 66.70 64.16 1x0r h VAL 79 Cb 1.29 1.70 -0.00 0.00 -2.13 0.00 0.00 31.29 32.15 1x0r h VAL 79 CO 0.51 0.00 -0.48 -0.26 -1.23 0.00 0.00 177.57 176.11 1x0r h PHE 80 N 0.00 1.05 -0.50 5.19 -1.00 -2.00 -0.38 116.94 119.30 1x0r h PHE 80 Ca 0.00 -0.36 -0.01 0.00 2.81 0.00 0.00 57.97 60.41 1x0r h PHE 80 Cb 0.72 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 40.06 1x0r h PHE 80 CO 0.00 1.18 0.27 0.77 -1.61 0.00 0.00 178.31 178.92 1x0r h SER 81 N 0.62 0.62 -0.46 2.17 0.02 -1.84 -0.17 113.55 114.51 1x0r h SER 81 Ca 0.02 -0.09 0.05 0.00 -0.84 0.00 0.00 61.79 60.93 1x0r h SER 81 Cb 1.08 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 63.42 1x0r h SER 81 CO 0.11 0.54 0.19 0.45 -1.14 0.00 0.00 176.83 176.97 1x0r h HIS 82 N 0.66 0.33 -0.14 3.45 3.86 -1.09 0.26 115.15 122.48 1x0r h HIS 82 Ca 0.17 0.02 -0.14 0.00 -1.16 0.00 0.00 60.37 59.26 1x0r h HIS 82 Cb 0.05 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 1x0r h HIS 82 CO -0.02 0.14 -0.52 0.82 0.86 0.00 0.00 177.93 179.21 1x0r h ILE 83 N 0.37 1.34 -0.14 2.45 2.04 -0.89 -0.94 117.51 121.74 1x0r h ILE 83 Ca 0.21 -1.78 -0.11 0.00 1.00 0.00 0.00 64.86 64.19 1x0r h ILE 83 Cb 0.18 1.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 1x0r h ILE 83 CO -0.20 0.54 -0.38 0.11 0.00 0.00 0.00 178.15 178.23 1x0r h LYS 84 N 0.31 0.31 -0.23 2.37 1.79 -0.03 -0.04 116.57 121.06 1x0r h LYS 84 Ca 0.01 -0.14 -0.19 0.00 -2.18 0.00 0.00 60.65 58.15 1x0r h LYS 84 Cb 1.02 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.67 1x0r h LYS 84 CO 0.09 0.65 -0.60 2.35 -1.08 0.00 0.00 179.45 180.86 1x0r h TRP 85 N 0.26 0.96 -0.17 -1.35 7.01 -0.16 -1.20 115.95 121.30 1x0r h TRP 85 Ca 0.03 -0.36 -0.11 0.00 2.11 0.00 0.00 58.89 60.56 1x0r h TRP 85 Cb 0.79 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.66 1x0r h TRP 85 CO 0.02 1.16 -0.35 0.87 -2.79 0.00 0.00 178.44 177.34 1x0r h LYS 86 N 0.56 0.36 -0.29 2.65 1.57 -0.68 0.10 116.57 120.84 1x0r h LYS 86 Ca -0.00 -0.16 -0.13 0.00 -1.87 0.00 0.00 60.65 58.49 1x0r h LYS 86 Cb 1.19 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.49 1x0r h LYS 86 CO 0.12 0.67 -0.32 1.49 -0.57 0.00 0.00 179.45 180.84 1x0r h GLU 87 N 0.31 0.74 -0.23 3.15 4.81 -0.83 -1.80 114.58 120.72 1x0r h GLU 87 Ca 0.04 -0.40 0.01 0.00 -0.13 0.00 0.00 59.36 58.88 1x0r h GLU 87 Cb 0.77 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 1x0r h GLU 87 CO 0.06 1.02 0.11 2.35 -0.73 0.00 0.00 179.01 181.83 1x0r h TRP 88 N 0.49 0.21 -0.81 0.92 7.01 -0.15 0.11 115.95 123.73 1x0r h TRP 88 Ca 0.04 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.05 1x0r h TRP 88 Cb 0.90 -0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 27.86 1x0r h TRP 88 CO 0.07 0.12 0.49 0.82 -2.79 0.00 0.00 178.44 177.15 1x0r h ILE 89 N 0.25 1.23 -0.41 2.65 2.04 -0.76 0.77 117.51 123.27 1x0r h ILE 89 Ca 0.10 -0.49 -0.13 0.00 1.00 0.00 0.00 64.86 65.34 1x0r h ILE 89 Cb 0.03 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.18 1x0r h ILE 89 CO -0.07 0.24 -0.24 -0.08 0.00 0.00 0.00 178.15 178.00 1x0r h GLU 90 N 1.11 0.88 0.01 2.37 4.81 -0.92 0.52 114.58 123.36 1x0r h GLU 90 Ca 0.29 -0.41 -0.23 0.00 -0.13 0.00 0.00 59.36 58.88 1x0r h GLU 90 Cb -0.05 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.32 1x0r h GLU 90 CO -0.06 1.05 -0.97 -0.09 -0.73 0.00 0.00 179.01 178.22 1x0r h ARG 91 N 0.70 0.45 0.01 1.92 2.43 -0.24 -1.89 114.38 117.77 1x0r h ARG 91 Ca 0.09 -0.50 -0.32 0.00 -0.81 0.00 0.00 59.98 58.44 1x0r h ARG 91 Cb 0.81 0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 30.45 1x0r h ARG 91 CO 0.07 1.15 -1.94 0.72 -1.51 0.00 0.00 179.97 178.46 1x0r n HIS 92 N -3.76 0.75 -0.01 2.20 8.25 0.26 -4.44 115.22 118.47 1x0r n HIS 92 Ca -0.07 0.25 0.07 0.00 -0.26 0.00 0.00 57.72 57.71 1x0r n HIS 92 Cb 0.85 -1.13 -0.12 0.00 1.12 0.00 0.00 29.99 30.71 1x0r n HIS 92 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1x0r n ILE 93 N -3.03 0.04 -0.75 1.59 5.41 0.10 -4.24 119.36 118.48 1x0r n ILE 93 Ca -0.24 -0.37 0.00 0.00 1.00 0.00 0.00 62.75 63.15 1x0r n ILE 93 Cb 1.07 0.11 0.00 0.00 -0.71 0.00 0.00 39.64 40.12 1x0r n ILE 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1x0r n GLY 94 N 1.64 0.58 3.22 7.39 0.00 -0.71 -4.85 105.19 112.47 1x0r n GLY 94 Ca -0.04 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 1x0r n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x0r s VAL 95 N -2.00 1.98 -0.12 1.61 1.01 -1.20 -4.94 120.40 116.74 1x0r s VAL 95 Ca 0.00 -0.99 -0.24 0.00 0.00 0.00 0.00 61.98 60.75 1x0r s VAL 95 Cb 0.00 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 1x0r s VAL 95 CO 0.00 0.55 0.76 -0.60 0.00 0.00 0.00 175.10 175.81 1x0r s ARG 96 N 0.17 4.36 -0.32 2.72 3.52 -1.26 -3.02 118.95 125.12 1x0r s ARG 96 Ca -0.13 0.93 -0.27 0.00 -0.13 0.00 0.00 55.73 56.14 1x0r s ARG 96 Cb -0.16 -3.51 0.01 0.00 -1.56 0.00 0.00 34.95 29.73 1x0r s ARG 96 CO 0.07 -0.13 0.95 0.42 -0.81 0.00 0.00 175.30 175.79 1x0r s ILE 97 N 1.48 4.62 -1.96 4.11 -1.09 -1.26 -4.91 121.20 122.18 1x0r s ILE 97 Ca 0.38 1.45 0.26 0.00 -2.23 0.00 0.00 60.65 60.50 1x0r s ILE 97 Cb -0.17 -4.31 0.28 0.00 -1.58 0.00 0.00 42.46 36.68 1x0r s ILE 97 CO 0.16 -0.42 1.53 -0.81 -1.23 0.00 0.00 174.94 174.17 1x0r n PRO 98 N 6.63 1.07 -3.77 2.79 -0.04 -1.26 -4.94 135.00 135.49 1x0r n PRO 98 Ca 0.08 -0.68 -0.24 0.00 -0.04 0.00 0.00 63.50 62.62 1x0r n PRO 98 Cb 0.48 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 32.43 1x0r n PRO 98 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1x0r s PHE 99 N -2.40 2.16 0.59 0.54 -0.12 -1.26 -5.08 117.98 112.41 1x0r s PHE 99 Ca 0.26 -0.67 -0.14 0.00 -0.05 0.00 0.00 56.93 56.33 1x0r s PHE 99 Cb 0.19 -2.03 -0.05 0.00 -0.63 0.00 0.00 43.02 40.51 1x0r s PHE 99 CO 0.49 -0.28 1.02 -1.25 -0.05 0.00 0.00 175.22 175.15 1x0r s PRO 100 N -4.19 3.56 -0.08 1.99 0.04 -1.26 -4.89 135.00 130.18 1x0r s PRO 100 Ca 0.41 0.96 0.03 0.00 0.04 0.00 0.00 61.00 62.44 1x0r s PRO 100 Cb -0.02 -2.08 0.01 0.00 0.04 0.00 0.00 34.50 32.46 1x0r s PRO 100 CO 0.25 -0.60 -0.15 0.42 0.04 0.00 0.00 177.00 176.95 1x0r s ILE 101 N -2.79 1.41 0.37 0.56 1.01 -1.26 -0.44 121.20 120.04 1x0r s ILE 101 Ca 0.59 -0.63 -0.26 0.00 0.00 0.00 0.00 60.65 60.35 1x0r s ILE 101 Cb -0.12 -1.26 -0.09 0.00 0.01 0.00 0.00 42.46 41.00 1x0r s ILE 101 CO 0.42 0.42 1.13 -0.63 0.00 0.00 0.00 174.94 176.28 1x0r s ILE 102 N 0.62 3.33 -0.34 2.92 1.01 0.58 -1.65 121.20 127.67 1x0r s ILE 102 Ca -0.15 1.16 -0.06 0.00 0.00 0.00 0.00 60.65 61.61 1x0r s ILE 102 Cb -0.16 -3.67 0.05 0.00 0.01 0.00 0.00 42.46 38.68 1x0r s ILE 102 CO 0.04 0.14 0.11 0.00 0.00 0.00 0.00 174.94 175.24 1x0r s ALA 103 N -1.39 3.04 -0.59 9.38 0.00 -0.06 -2.30 121.76 129.85 1x0r s ALA 103 Ca 0.54 -1.81 0.06 0.00 0.00 0.00 0.00 51.96 50.75 1x0r s ALA 103 Cb -0.30 -2.27 0.26 0.00 0.00 0.00 0.00 23.12 20.81 1x0r s ALA 103 CO 0.38 -1.37 0.72 -0.40 0.00 0.00 0.00 175.76 175.09 1x0r n ASP 104 N 4.79 3.19 -4.77 0.00 3.85 -0.43 -4.57 116.55 118.61 1x0r n ASP 104 Ca -0.12 -3.33 -0.40 0.00 -0.71 0.00 0.00 54.79 50.23 1x0r n ASP 104 Cb 0.44 -0.66 -0.00 0.00 -1.35 0.00 0.00 41.12 39.55 1x0r n ASP 104 CO 0.00 0.00 0.00 -2.84 -1.01 0.00 0.00 177.20 173.35 1x0r s PRO 105 N -2.33 3.97 0.00 0.11 0.02 -1.14 -0.14 135.00 135.49 1x0r s PRO 105 Ca 0.40 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.73 1x0r s PRO 105 Cb 0.16 -2.81 0.00 0.00 0.02 0.00 0.00 34.50 31.87 1x0r s PRO 105 CO -0.03 -0.55 0.00 1.04 -0.33 0.00 0.00 177.00 177.13 1x0r n GLN 106 N 0.19 0.00 -2.34 5.54 1.13 -1.26 -4.62 117.38 116.02 1x0r n GLN 106 Ca 0.03 0.00 -0.19 0.00 -1.94 0.00 0.00 57.00 54.90 1x0r n GLN 106 Cb 0.42 -0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.76 1x0r n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1x0r n GLY 107 N -0.22 -0.35 0.23 1.08 0.00 0.81 -4.92 105.19 101.82 1x0r n GLY 107 Ca 0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 1x0r n GLY 107 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1x0r h THR 108 N 0.00 1.23 -0.49 2.61 2.02 -1.82 -1.44 112.91 115.02 1x0r h THR 108 Ca -0.45 -0.77 -0.13 0.00 0.77 0.00 0.00 66.41 65.83 1x0r h THR 108 Cb 1.34 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 1x0r h THR 108 CO 0.54 0.28 -0.19 0.58 0.37 0.00 0.00 175.52 177.10 1x0r h VAL 109 N 0.65 1.27 -0.49 3.16 2.07 -1.91 -2.58 116.25 118.42 1x0r h VAL 109 Ca 0.15 -1.35 0.04 0.00 0.82 0.00 0.00 66.70 66.36 1x0r h VAL 109 Cb 0.28 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1x0r h VAL 109 CO -0.00 0.47 0.25 0.00 0.02 0.00 0.00 177.57 178.30 1x0r h ALA 110 N 0.88 0.62 -0.73 1.67 0.00 -1.85 -1.22 119.26 118.62 1x0r h ALA 110 Ca 0.12 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1x0r h ALA 110 Cb 0.77 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1x0r h ALA 110 CO 0.06 -0.10 0.27 0.00 0.00 0.00 0.00 179.25 179.48 1x0r h ARG 111 N 0.48 1.10 0.00 0.00 3.08 -1.19 0.28 114.38 118.14 1x0r h ARG 111 Ca 0.21 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 1x0r h ARG 111 Cb 0.12 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1x0r h ARG 111 CO -0.15 0.92 -0.25 0.00 -1.07 0.00 0.00 179.97 179.42 1x0r h ARG 112 N 1.05 0.00 -0.30 0.04 3.08 -0.99 -2.15 114.38 115.11 1x0r h ARG 112 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 1x0r h ARG 112 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1x0r h ARG 112 CO -0.02 0.25 0.00 1.28 -1.07 0.00 0.00 179.97 180.42 1x0r n LEU 113 N -4.23 2.90 -0.72 3.04 4.77 -0.52 -4.27 117.00 117.97 1x0r n LEU 113 Ca -0.02 -1.22 -0.08 0.00 -0.03 0.00 0.00 56.01 54.66 1x0r n LEU 113 Cb 0.31 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.19 1x0r n LEU 113 CO 0.37 0.61 -0.08 0.61 -1.33 0.00 0.00 177.39 177.57 1x0r n GLY 114 N 1.39 0.50 0.40 -0.72 0.00 -0.51 -4.52 105.19 101.72 1x0r n GLY 114 Ca 0.18 -0.64 0.14 0.00 0.00 0.00 0.00 46.02 45.70 1x0r n GLY 114 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x0r n LEU 115 N -0.97 1.25 -4.42 0.99 4.77 0.88 -4.73 117.00 114.77 1x0r n LEU 115 Ca -0.08 -0.43 -0.41 0.00 -0.03 0.00 0.00 56.01 55.06 1x0r n LEU 115 Cb 0.41 -0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.38 1x0r n LEU 115 CO 0.11 0.21 -0.14 -0.76 -1.33 0.00 0.00 177.39 175.48 1x0r s LEU 116 N -1.96 4.71 0.00 2.23 1.43 -1.26 -1.27 118.68 122.56 1x0r s LEU 116 Ca 0.39 -0.86 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 1x0r s LEU 116 Cb 0.21 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.37 1x0r s LEU 116 CO 0.33 -0.36 0.00 1.41 0.23 0.00 0.00 176.35 177.96 1x0r n HIS 117 N 5.04 -1.12 1.04 0.29 8.25 -1.26 -4.98 115.22 122.49 1x0r n HIS 117 Ca -0.12 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.47 1x0r n HIS 117 Cb 0.47 0.00 0.45 0.00 1.12 0.00 0.00 29.99 32.03 1x0r n HIS 117 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1x0r n ALA 118 N -3.00 2.92 0.75 -1.41 0.00 -1.26 -3.60 120.51 114.91 1x0r n ALA 118 Ca 0.00 -0.23 0.13 0.00 0.00 0.00 0.00 53.44 53.33 1x0r n ALA 118 Cb 0.00 -1.30 0.49 0.00 0.00 0.00 0.00 19.45 18.65 1x0r n ALA 118 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1x0r n GLU 119 N -1.44 0.11 -3.68 0.00 0.28 -1.26 -4.71 120.64 109.94 1x0r n GLU 119 Ca 0.07 0.15 -0.10 0.00 -0.16 0.00 0.00 57.16 57.12 1x0r n GLU 119 Cb 0.33 -1.64 -0.10 0.00 1.43 0.00 0.00 31.44 31.46 1x0r n GLU 119 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1x0r s SER 120 N -3.64 -0.61 0.46 -1.84 0.15 -1.24 -4.99 113.70 101.98 1x0r s SER 120 Ca 0.11 1.03 0.26 0.00 0.70 0.00 0.00 55.95 58.05 1x0r s SER 120 Cb 0.15 0.91 0.92 0.00 -1.71 0.00 0.00 66.02 66.28 1x0r s SER 120 CO 0.50 -0.20 1.82 0.00 1.20 0.00 0.00 173.24 176.56 1x0r h ALA 121 N 7.07 0.99 0.00 5.45 0.00 -1.84 -3.38 119.26 127.55 1x0r h ALA 121 Ca -0.35 -0.14 -0.29 0.00 0.00 0.00 0.00 54.91 54.13 1x0r h ALA 121 Cb 1.19 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 1x0r h ALA 121 CO 0.26 0.19 -2.12 -2.37 0.00 0.00 0.00 179.25 175.22 1x0r n THR 122 N -3.26 1.12 -4.21 0.00 5.66 -1.26 -5.03 114.28 107.31 1x0r n THR 122 Ca 0.01 -0.44 -0.31 0.00 -3.05 0.00 0.00 64.05 60.26 1x0r n THR 122 Cb 0.43 -1.18 -0.09 0.00 -1.55 0.00 0.00 70.33 67.94 1x0r n THR 122 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1x0r s HIS 123 N -2.39 2.98 0.61 1.09 4.02 -1.26 -4.90 115.29 115.44 1x0r s HIS 123 Ca -0.26 -0.01 -0.16 0.00 1.02 0.00 0.00 55.06 55.65 1x0r s HIS 123 Cb 0.07 -1.57 -0.02 0.00 -1.02 0.00 0.00 32.58 30.03 1x0r s HIS 123 CO 0.46 0.46 1.09 0.95 1.02 0.00 0.00 174.74 178.72 1x0r s THR 124 N -1.21 3.44 0.00 1.30 -4.23 -1.26 -4.66 115.64 109.02 1x0r s THR 124 Ca 0.23 0.71 0.00 0.00 -1.18 0.00 0.00 61.69 61.45 1x0r s THR 124 Cb -0.12 -3.23 0.00 0.00 1.34 0.00 0.00 72.50 70.49 1x0r s THR 124 CO 0.15 -0.37 0.00 1.33 -0.54 0.00 0.00 174.62 175.19 1x0r n VAL 125 N -2.07 0.00 -3.34 2.29 0.24 -0.39 -3.16 118.33 111.90 1x0r n VAL 125 Ca 0.10 0.00 -0.45 0.00 -2.04 0.00 0.00 64.34 61.95 1x0r n VAL 125 Cb 0.52 -1.45 -0.00 0.00 -1.47 0.00 0.00 33.84 31.44 1x0r n VAL 125 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1x0r s ARG 126 N -2.92 4.17 0.42 7.34 0.52 -0.21 -3.98 118.95 124.29 1x0r s ARG 126 Ca 0.00 -3.17 -0.05 0.00 -0.52 0.00 0.00 55.73 51.99 1x0r s ARG 126 Cb 0.00 -4.55 -0.04 0.00 0.52 0.00 0.00 34.95 30.87 1x0r s ARG 126 CO 0.00 -1.25 0.71 0.20 0.02 0.00 0.00 175.30 174.99 1x0r s GLY 127 N 1.38 1.59 -0.05 -3.53 0.00 -1.25 -0.88 107.32 104.59 1x0r s GLY 127 Ca 0.30 -0.53 -0.02 0.00 0.00 0.00 0.00 44.72 44.48 1x0r s GLY 127 CO -0.08 -0.38 0.09 0.14 0.00 0.00 0.00 173.10 172.86 1x0r s VAL 128 N -2.53 -0.08 -0.12 1.40 1.01 -0.51 -0.98 120.40 118.59 1x0r s VAL 128 Ca 0.46 0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.71 1x0r s VAL 128 Cb -0.10 -0.17 0.01 0.00 0.00 0.00 0.00 36.38 36.12 1x0r s VAL 128 CO 0.39 0.10 -0.21 -0.36 0.00 0.00 0.00 175.10 175.02 1x0r s PHE 129 N 1.33 2.44 -0.24 5.22 0.40 0.69 -0.51 117.98 127.30 1x0r s PHE 129 Ca -0.07 -1.14 -0.09 0.00 -0.60 0.00 0.00 56.93 55.03 1x0r s PHE 129 Cb -0.12 -1.67 -0.04 0.00 0.51 0.00 0.00 43.02 41.69 1x0r s PHE 129 CO -0.04 -0.52 0.13 0.42 0.70 0.00 0.00 175.22 175.90 1x0r s ILE 130 N 0.72 4.98 -0.02 0.64 1.01 -0.79 -1.01 121.20 126.73 1x0r s ILE 130 Ca -0.10 0.05 0.05 0.00 0.00 0.00 0.00 60.65 60.64 1x0r s ILE 130 Cb -0.16 -3.32 -0.01 0.00 0.01 0.00 0.00 42.46 38.98 1x0r s ILE 130 CO 0.01 0.34 -0.16 -0.69 0.00 0.00 0.00 174.94 174.44 1x0r s VAL 131 N 1.26 1.29 0.70 2.92 1.01 -0.13 0.57 120.40 128.02 1x0r s VAL 131 Ca 0.06 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1x0r s VAL 131 Cb -0.14 -1.09 0.14 0.00 0.00 0.00 0.00 36.38 35.29 1x0r s VAL 131 CO 0.05 0.37 0.97 -0.90 0.00 0.00 0.00 175.10 175.59 1x0r n ASP 132 N 2.85 1.55 0.00 3.32 5.68 -0.31 -1.12 116.55 128.51 1x0r n ASP 132 Ca -0.16 -2.25 0.09 0.00 -0.50 0.00 0.00 54.79 51.97 1x0r n ASP 132 Cb 0.54 -0.60 0.50 0.00 -1.14 0.00 0.00 41.12 40.41 1x0r n ASP 132 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1x0r n ALA 133 N -2.77 2.07 0.23 2.12 0.00 -1.25 0.34 120.51 121.26 1x0r n ALA 133 Ca -0.16 -0.10 0.11 0.00 0.00 0.00 0.00 53.44 53.29 1x0r n ALA 133 Cb 0.60 -1.29 0.20 0.00 0.00 0.00 0.00 19.45 18.96 1x0r n ALA 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1x0r n ARG 134 N -1.15 2.41 -1.16 0.00 1.74 -1.26 -4.59 116.66 112.64 1x0r n ARG 134 Ca 0.11 -2.21 0.00 0.00 -0.77 0.00 0.00 57.85 54.98 1x0r n ARG 134 Cb 0.10 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 1x0r n ARG 134 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1x0r n GLY 135 N 1.36 0.49 3.74 -0.13 0.00 0.15 -4.93 105.19 105.88 1x0r n GLY 135 Ca 0.18 -0.91 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 1x0r n GLY 135 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x0r s VAL 136 N -2.00 4.61 0.01 1.61 1.01 -1.24 0.13 120.40 124.53 1x0r s VAL 136 Ca 0.00 -0.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.41 1x0r s VAL 136 Cb 0.00 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 1x0r s VAL 136 CO 0.00 0.50 1.08 -0.63 0.00 0.00 0.00 175.10 176.05 1x0r s ILE 137 N -1.02 4.53 -0.02 2.22 1.01 0.44 -1.16 121.20 127.18 1x0r s ILE 137 Ca 0.17 1.81 0.10 0.00 0.00 0.00 0.00 60.65 62.73 1x0r s ILE 137 Cb -0.12 -4.16 -0.15 0.00 0.01 0.00 0.00 42.46 38.04 1x0r s ILE 137 CO 0.07 0.12 0.19 0.54 0.00 0.00 0.00 174.94 175.86 1x0r n ARG 138 N 4.10 0.56 -1.90 2.79 5.12 0.19 -0.72 116.66 126.81 1x0r n ARG 138 Ca 0.08 -0.08 -0.02 0.00 -1.93 0.00 0.00 57.85 55.89 1x0r n ARG 138 Cb 0.49 -1.23 0.01 0.00 -1.16 0.00 0.00 32.46 30.57 1x0r n ARG 138 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1x0r n THR 139 N -1.90 0.00 -3.65 0.55 -1.04 -1.23 -4.89 114.28 102.12 1x0r n THR 139 Ca -0.03 -0.28 -0.01 0.00 -2.04 0.00 0.00 64.05 61.69 1x0r n THR 139 Cb 0.32 0.29 -0.06 0.00 -1.82 0.00 0.00 70.33 69.05 1x0r n THR 139 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1x0r s LEU 141 N 0.00 -0.17 -0.34 -4.42 1.43 0.33 -1.88 118.68 113.63 1x0r s LEU 141 Ca 0.05 0.30 0.03 0.00 -1.03 0.00 0.00 54.13 53.48 1x0r s LEU 141 Cb -0.01 1.28 0.10 0.00 0.03 0.00 0.00 46.19 47.58 1x0r s LEU 141 CO 0.03 -0.05 0.05 -0.31 0.23 0.00 0.00 176.35 176.31 1x0r s TYR 142 N 0.74 3.67 0.29 0.29 1.51 -1.26 -1.42 117.35 121.17 1x0r s TYR 142 Ca -0.03 -2.81 -0.08 0.00 -1.01 0.00 0.00 57.07 53.13 1x0r s TYR 142 Cb -0.03 -2.83 -0.06 0.00 -0.11 0.00 0.00 41.96 38.92 1x0r s TYR 142 CO -0.12 -0.94 0.61 0.71 -1.11 0.00 0.00 175.55 174.69 1x0r s TYR 143 N 0.97 3.45 0.00 2.71 1.51 -0.06 -4.94 117.35 120.98 1x0r s TYR 143 Ca 0.08 0.85 0.00 0.00 -1.01 0.00 0.00 57.07 56.98 1x0r s TYR 143 Cb -0.20 -2.26 0.00 0.00 -0.11 0.00 0.00 41.96 39.40 1x0r s TYR 143 CO -0.07 0.15 0.00 -0.35 -1.11 0.00 0.00 175.55 174.17 1x0r n PRO 144 N -0.67 0.00 0.00 -1.71 -0.04 -1.26 -1.04 135.00 130.28 1x0r n PRO 144 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1x0r n PRO 144 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 1x0r n PRO 144 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1x0r n GLU 146 N 0.00 0.00 -3.75 0.54 0.00 -1.26 -4.57 120.64 111.60 1x0r n GLU 146 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 57.16 56.94 1x0r n GLU 146 Cb 0.00 -0.16 -0.18 0.00 0.00 0.00 0.00 31.44 31.10 1x0r n GLU 146 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1x0r s LEU 147 N 0.00 0.48 0.60 -1.84 0.20 -1.26 -5.10 118.68 111.76 1x0r s LEU 147 Ca 0.00 -0.04 -0.14 0.00 0.69 0.00 0.00 54.13 54.64 1x0r s LEU 147 Cb 0.00 -0.36 -0.04 0.00 -0.43 0.00 0.00 46.19 45.36 1x0r s LEU 147 CO 0.00 -0.21 1.03 -0.83 -0.29 0.00 0.00 176.35 176.05 1x0r s GLY 148 N 2.00 1.89 0.78 7.98 0.00 -1.26 -4.96 107.32 113.76 1x0r s GLY 148 Ca 0.05 0.15 -0.12 0.00 0.00 0.00 0.00 44.72 44.80 1x0r s GLY 148 CO -0.05 0.44 1.12 0.50 0.00 0.00 0.00 173.10 175.11 1x0r s ARG 149 N -4.56 2.23 -0.47 2.90 0.52 -1.26 -5.02 118.95 113.30 1x0r s ARG 149 Ca 0.59 0.45 -0.14 0.00 -0.52 0.00 0.00 55.73 56.11 1x0r s ARG 149 Cb -0.13 -1.95 0.08 0.00 0.52 0.00 0.00 34.95 33.47 1x0r s ARG 149 CO 0.43 -1.47 0.37 -1.17 0.02 0.00 0.00 175.30 173.48 1x0r s LEU 150 N -5.62 5.57 0.34 2.53 0.20 -1.26 -4.96 118.68 115.47 1x0r s LEU 150 Ca 0.60 -1.45 0.12 0.00 0.69 0.00 0.00 54.13 54.09 1x0r s LEU 150 Cb -0.13 -2.13 0.59 0.00 -0.43 0.00 0.00 46.19 44.09 1x0r s LEU 150 CO 0.52 -0.64 1.75 0.58 -0.29 0.00 0.00 176.35 178.27 1x0r h VAL 151 N 5.87 1.33 -0.06 1.68 2.07 -1.95 -2.67 116.25 122.52 1x0r h VAL 151 Ca -0.27 -1.56 0.02 0.00 0.82 0.00 0.00 66.70 65.71 1x0r h VAL 151 Cb 1.10 1.83 -0.00 0.00 -1.52 0.00 0.00 31.29 32.70 1x0r h VAL 151 CO 0.86 0.45 0.05 0.44 0.02 0.00 0.00 177.57 179.39 1x0r h ASP 152 N 0.01 0.00 0.31 0.57 3.32 -1.93 -1.32 116.42 117.39 1x0r h ASP 152 Ca -0.00 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 1x0r h ASP 152 Cb 0.81 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.34 1x0r h ASP 152 CO 0.06 0.00 -0.44 -0.08 -1.72 0.00 0.00 179.24 177.06 1x0r h GLU 153 N 0.00 0.17 -0.31 3.56 4.57 -1.82 0.12 114.58 120.88 1x0r h GLU 153 Ca 0.03 -0.09 -0.09 0.00 -1.18 0.00 0.00 59.36 58.03 1x0r h GLU 153 Cb 0.13 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 1x0r h GLU 153 CO -0.00 0.59 -0.16 0.82 -1.18 0.00 0.00 179.01 179.08 1x0r h ILE 154 N 0.14 1.29 -0.64 2.32 2.04 -1.32 0.48 117.51 121.83 1x0r h ILE 154 Ca 0.01 -1.27 -0.07 0.00 1.00 0.00 0.00 64.86 64.53 1x0r h ILE 154 Cb 0.84 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 38.36 1x0r h ILE 154 CO 0.07 0.41 0.11 -0.07 0.00 0.00 0.00 178.15 178.67 1x0r h LEU 155 N 0.41 0.99 -0.61 1.44 3.38 -1.29 -1.89 115.31 117.73 1x0r h LEU 155 Ca 0.07 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 1x0r h LEU 155 Cb 0.69 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1x0r h LEU 155 CO 0.05 0.98 0.13 -0.09 0.09 0.00 0.00 178.44 179.59 1x0r h ARG 156 N 0.98 0.99 -0.13 1.13 2.43 0.01 -0.91 114.38 118.88 1x0r h ARG 156 Ca 0.20 -0.25 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1x0r h ARG 156 Cb 0.40 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1x0r h ARG 156 CO 0.01 0.92 0.05 0.82 -1.51 0.00 0.00 179.97 180.25 1x0r h ILE 157 N 0.90 1.16 -0.65 1.20 2.04 0.33 0.08 117.51 122.58 1x0r h ILE 157 Ca 0.19 -0.48 -0.04 0.00 1.00 0.00 0.00 64.86 65.53 1x0r h ILE 157 Cb 0.38 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 1x0r h ILE 157 CO 0.01 0.14 0.24 -0.37 0.00 0.00 0.00 178.15 178.17 1x0r h VAL 158 N 0.04 1.24 -0.60 1.67 -1.51 -1.12 -0.72 116.25 115.26 1x0r h VAL 158 Ca 0.04 -0.78 0.02 0.00 -1.23 0.00 0.00 66.70 64.75 1x0r h VAL 158 Cb 0.18 0.53 -0.03 0.00 -2.13 0.00 0.00 31.29 29.84 1x0r h VAL 158 CO -0.00 0.30 0.38 0.50 -1.23 0.00 0.00 177.57 177.52 1x0r h LYS 159 N 0.92 0.74 -0.27 5.19 3.11 -1.04 0.05 116.57 125.27 1x0r h LYS 159 Ca 0.21 -0.04 -0.02 0.00 -2.81 0.00 0.00 60.65 57.99 1x0r h LYS 159 Cb 0.23 -0.17 -0.01 0.00 -1.00 0.00 0.00 32.23 31.29 1x0r h LYS 159 CO -0.01 0.49 0.10 0.00 -2.81 0.00 0.00 179.45 177.21 1x0r h ALA 160 N 1.24 0.36 -0.38 5.00 0.00 -0.65 -1.58 119.26 123.24 1x0r h ALA 160 Ca 0.23 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1x0r h ALA 160 Cb -0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1x0r h ALA 160 CO -0.08 -0.03 0.25 -0.07 0.00 0.00 0.00 179.25 179.32 1x0r h LEU 161 N 0.28 0.45 -0.24 0.00 4.07 -1.00 0.21 115.31 119.07 1x0r h LEU 161 Ca 0.09 -0.02 0.01 0.00 0.08 0.00 0.00 57.88 58.04 1x0r h LEU 161 Cb 0.21 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 41.82 1x0r h LEU 161 CO -0.01 0.34 0.13 0.11 -1.08 0.00 0.00 178.44 177.93 1x0r h LYS 162 N 0.52 0.26 -0.48 1.13 1.57 -0.74 0.10 116.57 118.92 1x0r h LYS 162 Ca 0.14 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1x0r h LYS 162 Cb -0.04 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1x0r h LYS 162 CO -0.03 0.17 0.28 -0.07 -0.57 0.00 0.00 179.45 179.23 1x0r h LEU 163 N 0.27 0.59 -0.96 2.94 3.38 -1.06 -1.18 115.31 119.28 1x0r h LEU 163 Ca 0.10 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1x0r h LEU 163 Cb 0.02 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1x0r h LEU 163 CO -0.06 0.49 -0.06 1.23 0.09 0.00 0.00 178.44 180.12 1x0r h GLY 164 N 0.64 0.73 0.90 0.83 0.00 -0.35 0.14 103.07 105.95 1x0r h GLY 164 Ca 0.17 -0.51 -0.07 0.00 0.00 0.00 0.00 47.33 46.92 1x0r h GLY 164 CO -0.03 0.47 -0.11 -0.55 0.00 0.00 0.00 176.54 176.32 1x0r h ASP 165 N 0.63 0.60 1.44 0.19 3.32 -0.65 0.11 116.42 122.06 1x0r h ASP 165 Ca 0.12 -0.39 -0.12 0.00 0.02 0.00 0.00 57.03 56.66 1x0r h ASP 165 Cb 0.49 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1x0r h ASP 165 CO 0.03 0.86 -0.55 0.77 -1.72 0.00 0.00 179.24 178.62 1x0r h SER 166 N 0.34 0.00 0.17 6.45 4.64 -0.80 -3.23 113.55 121.12 1x0r h SER 166 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1x0r h SER 166 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1x0r h SER 166 CO 0.04 0.55 -0.42 0.18 -0.87 0.00 0.00 176.83 176.31 1x0r n LEU 167 N -3.24 1.28 -3.58 5.97 4.32 0.46 -4.96 117.00 117.25 1x0r n LEU 167 Ca 0.02 -0.41 -0.22 0.00 -0.02 0.00 0.00 56.01 55.38 1x0r n LEU 167 Cb 0.75 -0.09 0.05 0.00 -1.62 0.00 0.00 43.42 42.51 1x0r n LEU 167 CO 0.41 0.25 -0.03 0.29 -1.22 0.00 0.00 177.39 177.09 1x0r n LYS 168 N -0.62 -3.83 -4.28 3.23 5.02 0.26 -5.02 118.16 112.91 1x0r n LYS 168 Ca 0.10 0.66 -0.15 0.00 -2.02 0.00 0.00 58.31 56.89 1x0r n LYS 168 Cb 0.38 -5.17 -0.10 0.00 -0.02 0.00 0.00 35.03 30.12 1x0r n LYS 168 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1x0r s ARG 169 N -5.60 1.17 0.25 1.97 1.81 -0.45 -4.65 118.95 113.45 1x0r s ARG 169 Ca 0.19 -1.53 0.06 0.00 -1.72 0.00 0.00 55.73 52.73 1x0r s ARG 169 Cb -0.05 -0.68 -0.03 0.00 -0.45 0.00 0.00 34.95 33.74 1x0r s ARG 169 CO 0.80 0.04 0.30 0.00 -0.68 0.00 0.00 175.30 175.76 1x0r s ALA 170 N -3.31 3.80 -0.17 2.13 0.00 0.64 -4.40 121.76 120.47 1x0r s ALA 170 Ca 0.20 -1.34 -0.03 0.00 0.00 0.00 0.00 51.96 50.79 1x0r s ALA 170 Cb 0.03 -1.53 -0.02 0.00 0.00 0.00 0.00 23.12 21.60 1x0r s ALA 170 CO 0.03 0.22 -0.04 0.08 0.00 0.00 0.00 175.76 176.05 1x0r s VAL 171 N -2.07 3.74 0.96 0.00 1.01 -1.26 -1.10 120.40 121.68 1x0r s VAL 171 Ca 0.34 -0.40 -0.12 0.00 0.00 0.00 0.00 61.98 61.80 1x0r s VAL 171 Cb -0.08 -2.65 0.17 0.00 0.00 0.00 0.00 36.38 33.82 1x0r s VAL 171 CO 0.27 0.48 1.11 -2.16 0.00 0.00 0.00 175.10 174.80 1x0r s PRO 172 N 0.59 0.74 0.35 2.72 0.04 -1.26 -4.93 135.00 133.25 1x0r s PRO 172 Ca -0.03 0.45 -0.28 0.00 0.04 0.00 0.00 61.00 61.18 1x0r s PRO 172 Cb -0.14 -1.78 -0.12 0.00 0.04 0.00 0.00 34.50 32.50 1x0r s PRO 172 CO 0.03 -2.50 1.41 0.00 0.04 0.00 0.00 177.00 175.97 1x0r n ALA 173 N -4.01 1.87 -1.34 8.56 0.00 -1.26 -2.57 120.51 121.75 1x0r n ALA 173 Ca 0.06 0.36 -0.12 0.00 0.00 0.00 0.00 53.44 53.74 1x0r n ALA 173 Cb 0.58 -2.34 -0.05 0.00 0.00 0.00 0.00 19.45 17.63 1x0r n ALA 173 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1x0r n ASP 174 N 0.78 -5.17 -4.72 0.00 8.00 -1.26 -3.95 116.55 110.23 1x0r n ASP 174 Ca 0.04 0.29 -0.36 0.00 0.71 0.00 0.00 54.79 55.46 1x0r n ASP 174 Cb 0.37 -3.70 0.08 0.00 -0.02 0.00 0.00 41.12 37.85 1x0r n ASP 174 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 1x0r n TRP 175 N -2.40 1.79 1.47 1.24 -0.00 -1.06 -0.85 117.44 117.63 1x0r n TRP 175 Ca -0.12 0.42 0.00 0.00 -0.00 0.00 0.00 57.50 57.80 1x0r n TRP 175 Cb 0.51 -2.24 0.00 0.00 -0.00 0.00 0.00 31.31 29.58 1x0r n TRP 175 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 1x0r n PRO 176 N -2.11 0.81 -2.01 5.87 -0.04 -1.26 -4.88 135.00 131.38 1x0r n PRO 176 Ca 0.16 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.37 1x0r n PRO 176 Cb 0.48 -1.07 0.02 0.00 -0.04 0.00 0.00 33.50 32.90 1x0r n PRO 176 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1x0r n ASN 177 N -0.40 5.07 -4.77 3.54 3.02 -0.03 -2.47 115.26 119.23 1x0r n ASN 177 Ca 0.00 -3.75 -0.40 0.00 -0.03 0.00 0.00 54.58 50.40 1x0r n ASN 177 Cb 0.03 -0.38 -0.01 0.00 -0.61 0.00 0.00 39.78 38.81 1x0r n ASN 177 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1x0r s ASN 178 N -3.50 6.55 0.45 6.41 3.84 -0.35 -4.82 114.94 123.52 1x0r s ASN 178 Ca 0.52 2.62 0.28 0.00 0.21 0.00 0.00 52.86 56.48 1x0r s ASN 178 Cb 0.41 -2.64 0.87 0.00 -0.55 0.00 0.00 41.25 39.35 1x0r s ASN 178 CO 0.02 -0.68 1.79 -0.33 -2.79 0.00 0.00 177.10 175.11 1x0r h GLU 179 N 2.99 0.00 0.08 0.43 5.08 -1.88 0.28 114.58 121.56 1x0r h GLU 179 Ca -0.49 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.54 1x0r h GLU 179 Cb 1.24 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 1x0r h GLU 179 CO 0.64 0.00 -1.77 -0.89 -1.00 0.00 0.00 179.01 175.98 1x0r n ILE 180 N -2.94 1.70 -0.19 3.13 5.41 -1.26 -4.70 119.36 120.50 1x0r n ILE 180 Ca 0.03 -0.44 0.00 0.00 1.00 0.00 0.00 62.75 63.33 1x0r n ILE 180 Cb 0.40 -1.84 0.00 0.00 -0.71 0.00 0.00 39.64 37.49 1x0r n ILE 180 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 1x0r n ILE 181 N -3.81 0.52 0.00 1.39 -5.35 -1.24 -5.10 119.36 105.77 1x0r n ILE 181 Ca -0.33 -0.66 0.00 0.00 -0.27 0.00 0.00 62.75 61.49 1x0r n ILE 181 Cb 0.93 0.81 0.00 0.00 -1.74 0.00 0.00 39.64 39.64 1x0r n ILE 181 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1x0r n GLY 182 N -0.26 3.04 0.67 3.28 0.00 0.97 -0.73 105.19 112.17 1x0r n GLY 182 Ca 0.00 -0.19 0.11 0.00 0.00 0.00 0.00 46.02 45.93 1x0r n GLY 182 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1x0r n GLU 183 N 13.15 1.88 -0.86 1.61 0.28 -1.03 -1.21 120.64 134.46 1x0r n GLU 183 Ca 0.00 -1.32 -0.30 0.00 -0.16 0.00 0.00 57.16 55.38 1x0r n GLU 183 Cb 0.00 -1.41 0.18 0.00 1.43 0.00 0.00 31.44 31.64 1x0r n GLU 183 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1x0r s GLY 184 N -1.55 1.61 0.13 -1.84 0.00 0.10 -4.83 107.32 100.94 1x0r s GLY 184 Ca 0.33 0.09 0.08 0.00 0.00 0.00 0.00 44.72 45.22 1x0r s GLY 184 CO 0.27 0.64 -0.19 1.08 0.00 0.00 0.00 173.10 174.90 1x0r s LEU 185 N -6.64 2.37 -0.13 0.66 1.43 0.02 -4.56 118.68 111.83 1x0r s LEU 185 Ca 0.66 -0.77 -0.15 0.00 -1.03 0.00 0.00 54.13 52.84 1x0r s LEU 185 Cb -0.21 -0.80 -0.05 0.00 0.03 0.00 0.00 46.19 45.16 1x0r s LEU 185 CO 0.60 -0.01 0.35 -0.63 0.23 0.00 0.00 176.35 176.88 1x0r s ILE 186 N -1.65 5.25 -0.02 -0.59 1.01 -0.26 -1.48 121.20 123.46 1x0r s ILE 186 Ca 0.10 0.67 -0.30 0.00 0.00 0.00 0.00 60.65 61.12 1x0r s ILE 186 Cb -0.08 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 1x0r s ILE 186 CO 0.05 0.41 1.11 -0.69 0.00 0.00 0.00 174.94 175.81 1x0r s VAL 187 N 0.24 4.46 0.16 2.92 1.01 -0.31 -0.26 120.40 128.61 1x0r s VAL 187 Ca 0.20 1.76 -0.34 0.00 0.00 0.00 0.00 61.98 63.60 1x0r s VAL 187 Cb -0.14 -4.13 -0.15 0.00 0.00 0.00 0.00 36.38 31.96 1x0r s VAL 187 CO 0.07 0.07 1.33 -0.81 0.00 0.00 0.00 175.10 175.75 1x0r n PRO 188 N 4.50 1.48 -1.83 2.72 -0.04 -1.26 -4.60 135.00 135.96 1x0r n PRO 188 Ca 0.09 0.53 -0.38 0.00 -0.04 0.00 0.00 63.50 63.69 1x0r n PRO 188 Cb 0.48 -2.14 0.03 0.00 -0.04 0.00 0.00 33.50 31.83 1x0r n PRO 188 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1x0r s PRO 189 N 0.08 3.25 0.76 0.54 0.04 -1.26 -4.97 135.00 133.45 1x0r s PRO 189 Ca 0.77 2.21 -0.13 0.00 0.04 0.00 0.00 61.00 63.88 1x0r s PRO 189 Cb -0.82 -2.31 0.06 0.00 0.04 0.00 0.00 34.50 31.47 1x0r s PRO 189 CO 0.48 -1.09 1.17 -2.14 0.04 0.00 0.00 177.00 175.46 1x0r s PRO 190 N -2.84 2.00 0.00 0.56 0.02 -1.26 -4.94 135.00 128.54 1x0r s PRO 190 Ca 0.70 1.61 0.00 0.00 0.02 0.00 0.00 61.00 63.32 1x0r s PRO 190 Cb -0.40 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.29 1x0r s PRO 190 CO 0.47 -1.91 0.72 0.25 -0.33 0.00 0.00 177.00 176.21 1x0r n THR 191 N -3.08 0.52 -4.22 0.99 -2.24 -1.26 -4.91 114.28 100.08 1x0r n THR 191 Ca 0.12 -0.65 -0.13 0.00 -2.27 0.00 0.00 64.05 61.12 1x0r n THR 191 Cb 0.51 0.81 -0.10 0.00 -2.10 0.00 0.00 70.33 69.45 1x0r n THR 191 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1x0r s THR 192 N -0.52 1.01 0.21 4.28 -4.23 -1.26 -5.03 115.64 110.09 1x0r s THR 192 Ca 0.00 -1.99 -0.10 0.00 -1.18 0.00 0.00 61.69 58.42 1x0r s THR 192 Cb 0.00 -1.75 0.15 0.00 1.34 0.00 0.00 72.50 72.23 1x0r s THR 192 CO 0.00 -0.77 1.84 -0.33 -0.54 0.00 0.00 174.62 174.82 1x0r h GLU 193 N 2.91 1.03 -0.33 3.99 5.08 -1.99 -1.05 114.58 124.20 1x0r h GLU 193 Ca -0.36 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 57.78 1x0r h GLU 193 Cb 1.18 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 1x0r h GLU 193 CO 0.63 0.73 -0.28 -0.44 -1.00 0.00 0.00 179.01 178.65 1x0r h ASP 194 N 1.03 0.71 -0.92 1.42 3.32 -1.98 -2.02 116.42 117.98 1x0r h ASP 194 Ca 0.27 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1x0r h ASP 194 Cb -0.02 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.29 1x0r h ASP 194 CO -0.05 0.96 0.54 1.56 -1.72 0.00 0.00 179.24 180.53 1x0r h GLN 195 N 0.60 1.26 -0.21 3.56 4.20 -1.90 0.45 115.11 123.08 1x0r h GLN 195 Ca 0.07 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 1x0r h GLN 195 Cb 0.78 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 1x0r h GLN 195 CO 0.06 0.89 0.01 0.00 -0.67 0.00 0.00 178.83 179.12 1x0r h ALA 196 N 1.30 0.28 -0.31 3.87 0.00 -0.99 -0.39 119.26 123.01 1x0r h ALA 196 Ca 0.33 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1x0r h ALA 196 Cb -0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1x0r h ALA 196 CO -0.06 -0.02 0.13 -0.09 0.00 0.00 0.00 179.25 179.22 1x0r h ARG 197 N 0.13 0.46 -0.23 0.00 9.65 -1.20 -2.83 114.38 120.36 1x0r h ARG 197 Ca 0.06 -0.08 -0.02 0.00 -1.10 0.00 0.00 59.98 58.84 1x0r h ARG 197 Cb 0.38 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.87 1x0r h ARG 197 CO 0.01 0.46 0.05 0.00 2.80 0.00 0.00 179.97 183.29 1x0r h ALA 198 N 0.98 1.66 0.00 2.80 0.00 0.21 -1.80 119.26 123.11 1x0r h ALA 198 Ca 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1x0r h ALA 198 Cb 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1x0r h ALA 198 CO -0.01 0.26 0.00 0.54 0.00 0.00 0.00 179.25 180.04 1x0r n ARG 199 N -4.40 0.23 0.00 0.00 5.12 -0.18 -2.34 116.66 115.09 1x0r n ARG 199 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1x0r n ARG 199 Cb 0.16 -1.21 0.00 0.00 -1.16 0.00 0.00 32.46 30.25 1x0r n ARG 199 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1x0r n GLU 201 N 0.56 0.00 -0.34 5.56 -0.58 -0.68 -3.28 120.64 121.89 1x0r n GLU 201 Ca 0.00 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.86 1x0r n GLU 201 Cb 0.08 0.00 0.31 0.00 -0.57 0.00 0.00 31.44 31.26 1x0r n GLU 201 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1x0r h SER 202 N 0.00 0.80 -0.41 1.62 4.64 -1.73 -3.46 113.55 115.02 1x0r h SER 202 Ca 0.00 0.07 -0.17 0.00 -0.47 0.00 0.00 61.79 61.22 1x0r h SER 202 Cb 0.00 -0.08 -0.07 0.00 -0.31 0.00 0.00 62.40 61.95 1x0r h SER 202 CO 0.00 0.34 -0.16 0.61 -0.87 0.00 0.00 176.83 176.75 1x0r n GLY 203 N -1.35 0.95 0.19 -0.77 0.00 -1.20 -4.91 105.19 98.09 1x0r n GLY 203 Ca 0.21 -0.20 0.06 0.00 0.00 0.00 0.00 46.02 46.09 1x0r n GLY 203 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1x0r h GLN 204 N 0.13 0.00 -6.22 1.61 3.07 -1.89 -3.46 115.11 108.35 1x0r h GLN 204 Ca -0.17 0.00 -0.58 0.00 0.09 0.00 0.00 58.65 57.99 1x0r h GLN 204 Cb 0.84 0.00 -0.11 0.00 0.08 0.00 0.00 27.48 28.29 1x0r h GLN 204 CO 0.26 0.37 -0.68 0.71 0.09 0.00 0.00 178.83 179.58 1x0r s TYR 205 N -3.64 2.58 0.61 0.06 1.51 -1.26 -5.05 117.35 112.15 1x0r s TYR 205 Ca -0.00 -0.25 -0.19 0.00 -1.01 0.00 0.00 57.07 55.62 1x0r s TYR 205 Cb 0.11 -1.14 -0.03 0.00 -0.11 0.00 0.00 41.96 40.79 1x0r s TYR 205 CO 0.69 0.64 1.24 1.03 -1.11 0.00 0.00 175.55 178.04 1x0r s ARG 206 N -3.58 2.84 -0.10 -0.62 0.52 -1.08 -4.86 118.95 112.06 1x0r s ARG 206 Ca 0.31 1.93 -0.09 0.00 -0.52 0.00 0.00 55.73 57.35 1x0r s ARG 206 Cb -0.06 -1.92 0.03 0.00 0.52 0.00 0.00 34.95 33.52 1x0r s ARG 206 CO 0.18 -1.34 0.27 0.45 0.02 0.00 0.00 175.30 174.88 1x0r s SER 207 N -1.49 -0.28 -0.02 0.23 0.15 -1.26 -1.38 113.70 109.65 1x0r s SER 207 Ca 0.79 0.54 0.10 0.00 0.70 0.00 0.00 55.95 58.08 1x0r s SER 207 Cb -0.33 0.54 -0.16 0.00 -1.71 0.00 0.00 66.02 64.36 1x0r s SER 207 CO 0.36 -0.10 0.22 0.18 1.20 0.00 0.00 173.24 175.10 1x0r n LEU 208 N 3.05 0.00 -3.90 3.45 4.32 0.06 -5.00 117.00 118.98 1x0r n LEU 208 Ca -0.14 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.86 1x0r n LEU 208 Cb 0.58 0.01 0.01 0.00 -1.62 0.00 0.00 43.42 42.40 1x0r n LEU 208 CO 0.17 0.01 0.99 -0.62 -1.22 0.00 0.00 177.39 176.72 1x0r s ASP 209 N -3.23 -0.01 0.41 -1.43 -1.08 -1.22 -4.95 116.67 105.16 1x0r s ASP 209 Ca -0.04 -0.35 0.21 0.00 -0.52 0.00 0.00 52.55 51.86 1x0r s ASP 209 Cb 0.06 0.27 0.78 0.00 -1.46 0.00 0.00 42.92 42.58 1x0r s ASP 209 CO 0.43 -0.53 1.77 4.11 0.52 0.00 0.00 175.17 181.47 1x0r h TRP 210 N 2.00 0.00 -0.02 -5.34 5.08 -1.97 -1.43 115.95 114.27 1x0r h TRP 210 Ca -0.25 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.72 1x0r h TRP 210 Cb 1.20 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.36 1x0r h TRP 210 CO 1.22 0.30 -0.05 -2.67 -1.28 0.00 0.00 178.44 175.95 1x0r n TRP 211 N -3.44 0.00 -3.82 0.12 4.27 -1.26 -4.51 117.44 108.80 1x0r n TRP 211 Ca 0.00 0.00 -0.28 0.00 -3.89 0.00 0.00 57.50 53.33 1x0r n TRP 211 Cb 0.47 -0.01 -0.12 0.00 -1.36 0.00 0.00 31.31 30.29 1x0r n TRP 211 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 1x0r s PHE 212 N -2.08 2.98 0.13 -2.67 5.99 -0.54 -4.53 117.98 117.27 1x0r s PHE 212 Ca 0.32 -3.06 0.10 0.00 0.00 0.00 0.00 56.93 54.29 1x0r s PHE 212 Cb 0.20 -2.40 -0.04 0.00 0.00 0.00 0.00 43.02 40.78 1x0r s PHE 212 CO 0.36 -0.65 -0.23 0.00 -0.00 0.00 0.00 175.22 174.70 1x0r s TRP 214 N -1.17 -0.21 0.00 0.00 -2.14 -0.48 -1.17 118.94 113.78 1x0r s TRP 214 Ca 0.16 -0.22 0.00 0.00 2.66 0.00 0.00 56.10 58.71 1x0r s TRP 214 Cb -0.10 0.69 0.00 0.00 -3.10 0.00 0.00 33.47 30.96 1x0r s TRP 214 CO 0.08 -1.16 0.00 -0.40 -2.66 0.00 0.00 176.95 172.81 1x0r n ASP 215 N -0.45 0.00 -3.22 -2.66 5.68 -0.55 -2.64 116.55 112.70 1x0r n ASP 215 Ca -0.05 -0.48 -0.24 0.00 -0.50 0.00 0.00 54.79 53.52 1x0r n ASP 215 Cb 0.60 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.52 1x0r n ASP 215 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1x0r n THR 216 N 0.00 0.96 1.04 2.12 -2.24 -1.26 -0.79 114.28 114.10 1x0r n THR 216 Ca 0.00 -4.75 0.14 0.00 -2.27 0.00 0.00 64.05 57.17 1x0r n THR 216 Cb 0.00 -1.60 0.62 0.00 -2.10 0.00 0.00 70.33 67.26 1x0r n THR 216 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1x0r n PRO 217 N 0.76 0.06 -2.46 -0.78 -0.04 -1.26 -4.88 135.00 126.41 1x0r n PRO 217 Ca 0.26 0.01 -0.40 0.00 -0.04 0.00 0.00 63.50 63.33 1x0r n PRO 217 Cb 0.49 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.41 1x0r n PRO 217 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x0r s ALA 218 N -2.93 3.41 0.51 0.55 0.00 -1.26 -4.99 121.76 117.05 1x0r s ALA 218 Ca 0.16 0.91 -0.21 0.00 0.00 0.00 0.00 51.96 52.82 1x0r s ALA 218 Cb 0.19 -3.34 -0.06 0.00 0.00 0.00 0.00 23.12 19.91 1x0r s ALA 218 CO 0.51 -0.19 1.19 -1.54 0.00 0.00 0.00 175.76 175.72 1x0r s SER 219 N -0.78 5.79 0.36 0.00 1.04 -1.26 -4.82 113.70 114.03 1x0r s SER 219 Ca 0.45 2.35 0.12 0.00 0.48 0.00 0.00 55.95 59.36 1x0r s SER 219 Cb -0.32 -2.60 0.93 0.00 0.10 0.00 0.00 66.02 64.13 1x0r s SER 219 CO 0.41 -1.18 1.79 -0.09 0.98 0.00 0.00 173.24 175.15 1x0r h ARG 220 N 1.59 0.55 -0.31 4.02 2.43 -1.98 -0.59 114.38 120.09 1x0r h ARG 220 Ca -0.50 -0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 58.50 1x0r h ARG 220 Cb 1.27 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 1x0r h ARG 220 CO 0.58 0.36 -0.38 -0.44 -1.51 0.00 0.00 179.97 178.58 1x0r h ASP 221 N 0.56 0.78 -0.44 -3.80 3.32 -1.99 0.11 116.42 114.97 1x0r h ASP 221 Ca 0.57 -0.35 -0.13 0.00 0.02 0.00 0.00 57.03 57.14 1x0r h ASP 221 Cb 1.17 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 1x0r h ASP 221 CO -0.32 1.08 -0.23 0.44 -1.72 0.00 0.00 179.24 178.48 1x0r h ASP 222 N 0.61 0.97 -0.43 6.45 3.32 -1.69 -1.07 116.42 124.58 1x0r h ASP 222 Ca 0.05 -0.41 -0.06 0.00 0.02 0.00 0.00 57.03 56.63 1x0r h ASP 222 Cb 0.92 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 1x0r h ASP 222 CO 0.08 1.16 0.02 0.58 -1.72 0.00 0.00 179.24 179.37 1x0r h VAL 223 N 0.77 1.26 -0.38 -1.35 2.07 -0.88 -1.72 116.25 116.02 1x0r h VAL 223 Ca 0.10 -0.99 -0.10 0.00 0.82 0.00 0.00 66.70 66.52 1x0r h VAL 223 Cb 0.81 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1x0r h VAL 223 CO 0.07 0.34 -0.18 -0.33 0.02 0.00 0.00 177.57 177.49 1x0r h GLU 224 N 0.58 0.71 -0.66 1.57 5.08 -0.67 -0.40 114.58 120.79 1x0r h GLU 224 Ca 0.12 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1x0r h GLU 224 Cb 0.46 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 1x0r h GLU 224 CO 0.02 0.84 0.40 1.49 -1.00 0.00 0.00 179.01 180.75 1x0r h GLU 225 N 0.63 0.90 -0.53 2.33 4.81 -1.01 0.11 114.58 121.82 1x0r h GLU 225 Ca 0.10 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 1x0r h GLU 225 Cb 0.65 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 1x0r h GLU 225 CO 0.05 0.64 0.03 0.00 -0.73 0.00 0.00 179.01 179.00 1x0r h ALA 226 N 1.20 1.05 -0.14 2.92 0.00 -0.78 -2.38 119.26 121.14 1x0r h ALA 226 Ca 0.24 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1x0r h ALA 226 Cb -0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1x0r h ALA 226 CO -0.04 0.60 -0.35 0.00 0.00 0.00 0.00 179.25 179.46 1x0r h ARG 227 N 0.82 0.28 -0.95 0.00 3.08 -0.71 -2.71 114.38 114.20 1x0r h ARG 227 Ca 0.16 -0.12 0.03 0.00 0.07 0.00 0.00 59.98 60.12 1x0r h ARG 227 Cb 0.45 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.43 1x0r h ARG 227 CO 0.02 0.60 0.63 0.00 -1.07 0.00 0.00 179.97 180.14 1x0r h ARG 228 N 0.25 1.19 -0.48 0.04 3.08 -0.30 0.13 114.38 118.28 1x0r h ARG 228 Ca 0.03 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1x0r h ARG 228 Cb 0.73 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 1x0r h ARG 228 CO 0.06 0.79 0.24 1.88 -1.07 0.00 0.00 179.97 181.87 1x0r h TYR 229 N 1.23 0.69 -0.34 3.04 0.99 -1.13 -0.47 116.97 120.97 1x0r h TYR 229 Ca 0.37 -0.03 -0.14 0.00 2.00 0.00 0.00 58.73 60.93 1x0r h TYR 229 Cb -0.04 -0.21 -0.01 0.00 1.00 0.00 0.00 36.73 37.46 1x0r h TYR 229 CO -0.00 0.54 -0.36 -0.07 -0.00 0.00 0.00 178.16 178.27 1x0r h LEU 230 N 0.64 0.82 -0.85 3.88 3.38 -1.31 -1.99 115.31 119.88 1x0r h LEU 230 Ca 0.17 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 1x0r h LEU 230 Cb 0.10 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1x0r h LEU 230 CO -0.02 1.09 0.24 0.03 0.09 0.00 0.00 178.44 179.87 1x0r h ARG 231 N 0.65 1.09 -0.62 1.13 3.08 -0.57 -0.25 114.38 118.88 1x0r h ARG 231 Ca 0.06 -0.22 -0.09 0.00 0.07 0.00 0.00 59.98 59.80 1x0r h ARG 231 Cb 0.90 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 1x0r h ARG 231 CO 0.08 0.92 0.03 -0.09 -1.07 0.00 0.00 179.97 179.84 1x0r h ARG 232 N 1.06 1.07 -0.85 0.04 2.43 -0.93 0.42 114.38 117.61 1x0r h ARG 232 Ca 0.23 -0.32 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 1x0r h ARG 232 Cb 0.27 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 1x0r h ARG 232 CO -0.01 1.02 0.44 0.00 -1.51 0.00 0.00 179.97 179.92 1x0r h ALA 233 N 1.04 1.09 0.00 2.80 0.00 -0.82 -2.31 119.26 121.06 1x0r h ALA 233 Ca 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1x0r h ALA 233 Cb 0.52 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1x0r h ALA 233 CO 0.02 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.90 1x0r h ALA 234 N 1.24 1.00 -2.81 0.00 0.00 -0.77 -3.44 119.26 114.48 1x0r h ALA 234 Ca 0.30 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.63 1x0r h ALA 234 Cb 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 1x0r h ALA 234 CO -0.04 0.00 -0.06 -2.00 0.00 0.00 0.00 179.25 177.14 1x0r s GLU 235 N -3.46 4.33 0.11 0.00 2.12 0.11 -5.04 118.70 116.88 1x0r s GLU 235 Ca 0.04 0.62 -0.31 0.00 0.36 0.00 0.00 54.97 55.68 1x0r s GLU 235 Cb 0.08 -3.40 -0.07 0.00 0.26 0.00 0.00 34.13 31.00 1x0r s GLU 235 CO 0.58 0.23 1.24 0.21 -0.54 0.00 0.00 175.26 176.98 1x0r s LYS 236 N 0.31 4.42 0.29 4.30 2.20 -1.26 -4.97 119.74 125.03 1x0r s LYS 236 Ca 0.30 1.88 -0.30 0.00 -0.36 0.00 0.00 55.97 57.48 1x0r s LYS 236 Cb -0.17 -3.29 -0.11 0.00 -1.51 0.00 0.00 37.83 32.75 1x0r s LYS 236 CO 0.14 -0.24 1.57 -2.14 -0.36 0.00 0.00 175.35 174.32 1x0r s PRO 237 N 0.64 4.14 0.13 4.03 0.02 -1.26 -4.96 135.00 137.73 1x0r s PRO 237 Ca 0.58 2.54 -0.30 0.00 0.02 0.00 0.00 61.00 63.84 1x0r s PRO 237 Cb -0.32 -3.04 -0.06 0.00 0.02 0.00 0.00 34.50 31.10 1x0r s PRO 237 CO 0.32 -0.60 0.94 0.00 -0.33 0.00 0.00 177.00 177.33 1x0r s ALA 238 N -0.01 3.27 -0.02 -1.55 0.00 -1.26 -4.70 121.76 117.49 1x0r s ALA 238 Ca 0.63 0.56 -0.02 0.00 0.00 0.00 0.00 51.96 53.12 1x0r s ALA 238 Cb -0.47 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 19.42 1x0r s ALA 238 CO 0.47 0.02 0.04 1.17 0.00 0.00 0.00 175.76 177.47 1x0r n LYS 239 N 2.56 -2.63 -3.54 0.00 4.81 -1.26 -5.00 118.16 113.10 1x0r n LYS 239 Ca 0.01 2.17 -0.36 0.00 -0.87 0.00 0.00 58.31 59.26 1x0r n LYS 239 Cb 0.49 -2.85 -0.06 0.00 0.02 0.00 0.00 35.03 32.63 1x0r n LYS 239 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1x0r s LEU 240 N -0.33 4.41 0.54 3.14 1.43 -1.26 -4.99 118.68 121.61 1x0r s LEU 240 Ca -0.05 0.87 0.31 0.00 -1.03 0.00 0.00 54.13 54.24 1x0r s LEU 240 Cb 0.00 -2.78 1.44 0.00 0.03 0.00 0.00 46.19 44.88 1x0r s LEU 240 CO 0.13 0.25 2.03 -0.07 0.23 0.00 0.00 176.35 178.92 1x0r h LEU 241 N 4.20 0.00 -1.80 1.79 3.38 -1.94 -2.66 115.31 118.28 1x0r h LEU 241 Ca -0.50 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.48 1x0r h LEU 241 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1x0r h LEU 241 CO 0.64 0.08 0.17 0.10 0.09 0.00 0.00 178.44 179.52 1x0r h TYR 242 N 0.00 0.26 -0.78 1.13 -0.00 -1.94 -2.89 116.97 112.75 1x0r h TYR 242 Ca -0.00 0.01 0.13 0.00 0.00 0.00 0.00 58.73 58.87 1x0r h TYR 242 Cb 0.45 -0.09 -0.09 0.00 0.00 0.00 0.00 36.73 37.00 1x0r h TYR 242 CO 0.00 0.16 0.36 0.93 -0.00 0.00 0.00 178.16 179.60 1x0r h GLU 243 N 0.27 0.52 -0.02 0.10 5.08 -1.89 -1.80 114.58 116.85 1x0r h GLU 243 Ca 0.10 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1x0r h GLU 243 Cb 0.06 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1x0r h GLU 243 CO -0.02 0.34 -0.35 -0.85 -1.00 0.00 0.00 179.01 177.13 1x0r n GLU 244 N -4.93 1.50 0.00 2.33 0.00 -1.20 -5.14 120.64 113.20 1x0r n GLU 244 Ca 0.15 -1.24 0.04 0.00 0.00 0.00 0.00 57.16 56.10 1x0r n GLU 244 Cb 0.39 -1.47 0.21 0.00 0.00 0.00 0.00 31.44 30.57 1x0r n GLU 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13