#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 -0.04 -0.07 -1.23 0.00 -1.26 -5.07 107.32 99.65 1x0r s GLY 3 Ca 0.00 0.14 -0.05 0.00 0.00 0.00 0.00 44.72 44.81 1x0r s GLY 3 CO 0.00 0.02 0.14 -0.45 0.00 0.00 0.00 173.10 172.82 1x0r s SER 4 N -0.84 6.27 0.12 1.64 0.15 -1.26 -5.08 113.70 114.70 1x0r s SER 4 Ca -0.09 0.38 0.03 0.00 0.70 0.00 0.00 55.95 56.97 1x0r s SER 4 Cb -0.05 -1.98 -0.04 0.00 -1.71 0.00 0.00 66.02 62.23 1x0r s SER 4 CO 0.01 0.34 -0.08 0.27 1.20 0.00 0.00 173.24 174.99 1x0r s ILE 5 N -1.14 0.90 0.83 6.45 -4.36 -1.26 -3.46 121.20 119.16 1x0r s ILE 5 Ca 0.20 -1.99 -0.11 0.00 -0.26 0.00 0.00 60.65 58.48 1x0r s ILE 5 Cb -0.12 -1.77 0.09 0.00 1.25 0.00 0.00 42.46 41.90 1x0r s ILE 5 CO 0.10 -0.80 1.09 -2.84 0.24 0.00 0.00 174.94 172.73 1x0r s PRO 6 N -3.80 1.80 0.22 0.37 0.02 -1.26 -5.01 135.00 127.34 1x0r s PRO 6 Ca 0.14 0.84 0.11 0.00 0.02 0.00 0.00 61.00 62.12 1x0r s PRO 6 Cb 0.04 -1.87 -0.05 0.00 0.02 0.00 0.00 34.50 32.65 1x0r s PRO 6 CO -0.02 -1.87 -0.21 -0.51 -0.33 0.00 0.00 177.00 174.06 1x0r s LEU 7 N -5.99 2.49 0.39 -5.54 1.43 -1.26 -5.08 118.68 105.12 1x0r s LEU 7 Ca 0.62 -0.92 -0.28 0.00 -1.03 0.00 0.00 54.13 52.52 1x0r s LEU 7 Cb -0.16 -1.07 -0.11 0.00 0.03 0.00 0.00 46.19 44.88 1x0r s LEU 7 CO 0.56 0.06 1.45 -0.38 0.23 0.00 0.00 176.35 178.27 1x0r n ILE 8 N -0.04 2.13 0.00 -0.59 5.41 -1.26 -1.80 119.36 123.21 1x0r n ILE 8 Ca -0.10 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.15 1x0r n ILE 8 Cb 0.58 -1.90 0.00 0.00 -0.71 0.00 0.00 39.64 37.60 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 0.51 2.02 3.93 7.39 0.00 0.33 -5.00 105.19 114.38 1x0r n GLY 9 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.80 3.52 0.34 1.61 2.02 -0.74 -4.82 118.70 119.83 1x0r s GLU 10 Ca 0.00 -0.32 -0.28 0.00 0.02 0.00 0.00 54.97 54.40 1x0r s GLU 10 Cb 0.00 -2.76 -0.09 0.00 0.10 0.00 0.00 34.13 31.38 1x0r s GLU 10 CO 0.00 0.29 1.19 0.50 0.02 0.00 0.00 175.26 177.26 1x0r s ARG 11 N -3.73 4.32 0.30 1.61 3.52 -1.26 -0.77 118.95 122.95 1x0r s ARG 11 Ca 0.39 1.94 -0.29 0.00 -0.13 0.00 0.00 55.73 57.64 1x0r s ARG 11 Cb -0.10 -2.95 -0.11 0.00 -1.56 0.00 0.00 34.95 30.23 1x0r s ARG 11 CO 0.31 -0.12 1.50 0.12 -0.81 0.00 0.00 175.30 176.31 1x0r s PHE 12 N -1.26 2.82 -0.30 5.12 5.36 0.21 -4.80 117.98 125.13 1x0r s PHE 12 Ca 0.51 0.99 -0.36 0.00 -0.96 0.00 0.00 56.93 57.11 1x0r s PHE 12 Cb -0.34 -3.95 -0.12 0.00 -0.34 0.00 0.00 43.02 38.27 1x0r s PHE 12 CO 0.44 -3.03 2.08 -2.30 -1.46 0.00 0.00 175.22 170.94 1x0r n PRO 13 N 1.74 1.24 -1.55 10.12 -0.02 -1.26 -4.48 135.00 140.78 1x0r n PRO 13 Ca 0.05 0.38 -0.36 0.00 -2.02 0.00 0.00 63.50 61.55 1x0r n PRO 13 Cb 0.39 -2.43 0.08 0.00 -0.02 0.00 0.00 33.50 31.52 1x0r n PRO 13 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1x0r n GLU 14 N 7.55 0.84 -4.88 -0.52 2.13 -1.26 -4.54 120.64 119.96 1x0r n GLU 14 Ca 0.36 0.35 -0.26 0.00 0.66 0.00 0.00 57.16 58.27 1x0r n GLU 14 Cb 0.22 -2.44 -0.16 0.00 0.27 0.00 0.00 31.44 29.34 1x0r n GLU 14 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1x0r s GLU 16 N -3.44 1.62 0.03 5.31 2.02 -1.26 -4.96 118.70 118.02 1x0r s GLU 16 Ca 0.79 -0.65 0.01 0.00 0.02 0.00 0.00 54.97 55.15 1x0r s GLU 16 Cb -0.36 -1.50 -0.02 0.00 0.10 0.00 0.00 34.13 32.35 1x0r s GLU 16 CO 0.44 0.34 -0.06 0.14 0.02 0.00 0.00 175.26 176.15 1x0r s VAL 17 N -0.26 0.37 -0.21 2.63 -7.23 0.22 -4.94 120.40 110.98 1x0r s VAL 17 Ca 0.03 -0.98 -0.21 0.00 -1.81 0.00 0.00 61.98 59.01 1x0r s VAL 17 Cb -0.09 -0.46 -0.02 0.00 0.56 0.00 0.00 36.38 36.37 1x0r s VAL 17 CO 0.00 -0.41 0.63 -0.89 -0.31 0.00 0.00 175.10 174.12 1x0r s THR 18 N -1.37 5.01 0.36 5.32 2.01 -1.26 -0.50 115.64 125.21 1x0r s THR 18 Ca -0.12 1.17 0.06 0.00 0.31 0.00 0.00 61.69 63.11 1x0r s THR 18 Cb -0.10 -3.94 -0.07 0.00 0.01 0.00 0.00 72.50 68.40 1x0r s THR 18 CO -0.00 0.09 0.00 0.42 -0.69 0.00 0.00 174.62 174.44 1x0r s THR 19 N 2.06 1.71 -1.96 -0.82 -4.23 0.56 -0.39 115.64 112.57 1x0r s THR 19 Ca 0.28 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.75 1x0r s THR 19 Cb -0.16 -2.81 0.00 0.00 1.34 0.00 0.00 72.50 70.87 1x0r s THR 19 CO 0.10 -0.07 0.57 -0.90 -0.54 0.00 0.00 174.62 173.78 1x0r n ASP 20 N -0.80 0.02 -0.12 3.99 5.75 -0.33 -0.66 116.55 124.40 1x0r n ASP 20 Ca -0.04 -1.16 0.01 0.00 -0.01 0.00 0.00 54.79 53.59 1x0r n ASP 20 Cb 0.66 -0.01 0.02 0.00 -1.03 0.00 0.00 41.12 40.76 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 -0.47 0.03 0.00 2.11 8.25 -1.26 -4.96 115.22 118.91 1x0r n HIS 21 Ca 0.00 -0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 1x0r n HIS 21 Cb 0.01 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.10 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 0.03 0.74 3.74 -1.41 0.00 0.16 -5.02 105.19 103.45 1x0r n GLY 22 Ca 0.02 -2.27 -0.40 0.00 0.00 0.00 0.00 46.02 43.37 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 -0.80 4.54 0.05 1.61 1.01 -1.26 -0.33 120.40 125.22 1x0r s VAL 23 Ca 0.00 1.83 0.02 0.00 0.00 0.00 0.00 61.98 63.83 1x0r s VAL 23 Cb 0.00 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 1x0r s VAL 23 CO 0.00 0.38 -0.07 0.27 0.00 0.00 0.00 175.10 175.68 1x0r s ILE 24 N -0.30 0.52 -0.14 2.22 -4.36 0.35 -4.93 121.20 114.56 1x0r s ILE 24 Ca 0.41 -1.25 -0.10 0.00 -0.26 0.00 0.00 60.65 59.44 1x0r s ILE 24 Cb -0.22 -0.81 -0.05 0.00 1.25 0.00 0.00 42.46 42.63 1x0r s ILE 24 CO 0.27 -0.51 0.21 -0.75 0.24 0.00 0.00 174.94 174.40 1x0r s LYS 25 N -2.08 3.91 0.13 0.37 2.47 -1.26 -0.61 119.74 122.67 1x0r s LYS 25 Ca -0.06 -0.03 0.10 0.00 -1.56 0.00 0.00 55.97 54.43 1x0r s LYS 25 Cb -0.06 -3.32 -0.04 0.00 -1.46 0.00 0.00 37.83 32.95 1x0r s LYS 25 CO -0.01 0.50 -0.25 -0.51 0.16 0.00 0.00 175.35 175.24 1x0r s LEU 26 N -0.28 2.32 0.01 5.43 1.43 -1.26 -1.22 118.68 125.11 1x0r s LEU 26 Ca 0.15 -0.74 0.28 0.00 -1.03 0.00 0.00 54.13 52.78 1x0r s LEU 26 Cb -0.13 -1.14 0.97 0.00 0.03 0.00 0.00 46.19 45.92 1x0r s LEU 26 CO 0.03 0.15 1.74 -0.81 0.23 0.00 0.00 176.35 177.69 1x0r n PRO 27 N 0.91 0.01 -0.33 1.29 -0.04 -1.26 -4.12 135.00 131.46 1x0r n PRO 27 Ca -0.18 0.00 0.21 0.00 -0.04 0.00 0.00 63.50 63.50 1x0r n PRO 27 Cb 0.53 -1.51 0.41 0.00 -0.04 0.00 0.00 33.50 32.89 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 0.00 -0.09 -0.86 3.54 5.19 -1.96 0.94 116.42 123.18 1x0r h ASP 28 Ca 0.00 0.26 0.17 0.00 -0.62 0.00 0.00 57.03 56.84 1x0r h ASP 28 Cb 0.51 0.37 -0.07 0.00 0.18 0.00 0.00 39.33 40.32 1x0r h ASP 28 CO 0.00 -0.35 0.57 -0.74 -3.12 0.00 0.00 179.24 175.59 1x0r h HIS 29 N 0.05 0.65 0.08 4.55 2.76 -1.52 -0.23 115.15 121.50 1x0r h HIS 29 Ca 0.69 0.02 -0.36 0.00 -2.20 0.00 0.00 60.37 58.52 1x0r h HIS 29 Cb 1.60 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 30.33 1x0r h HIS 29 CO -0.27 0.22 -2.02 0.66 -1.30 0.00 0.00 177.93 175.21 1x0r n TYR 30 N -4.53 0.96 -0.28 5.26 4.02 0.28 -3.86 117.16 119.00 1x0r n TYR 30 Ca 0.17 0.23 0.02 0.00 -0.01 0.00 0.00 57.90 58.31 1x0r n TYR 30 Cb 0.57 -1.12 0.15 0.00 -0.02 0.00 0.00 39.34 38.92 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 -0.11 0.92 -0.12 -0.72 2.07 -1.23 0.82 116.25 117.88 1x0r h VAL 31 Ca -0.46 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 66.83 1x0r h VAL 31 Cb 1.91 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1x0r h VAL 31 CO 0.00 0.14 0.09 0.28 0.02 0.00 0.00 177.57 178.10 1x0r h SER 32 N 0.76 0.04 -0.12 0.57 0.02 -1.21 -0.24 113.55 113.37 1x0r h SER 32 Ca 0.37 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 1x0r h SER 32 Cb 0.32 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1x0r h SER 32 CO -0.24 0.03 0.00 0.00 -1.14 0.00 0.00 176.83 175.48 1x0r n GLN 33 N -4.51 1.79 -1.14 3.45 6.02 -0.16 -4.90 117.38 117.93 1x0r n GLN 33 Ca -0.00 -1.18 -0.05 0.00 -0.01 0.00 0.00 57.00 55.76 1x0r n GLN 33 Cb 0.17 -1.43 -0.02 0.00 1.02 0.00 0.00 30.24 29.98 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 1.18 0.76 3.79 1.08 0.00 -0.10 -5.00 105.19 106.90 1x0r n GLY 34 Ca 0.17 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.22 2.92 0.58 1.61 1.02 0.10 -4.78 119.74 118.97 1x0r s LYS 35 Ca 0.00 -0.72 -0.07 0.00 0.02 0.00 0.00 55.97 55.20 1x0r s LYS 35 Cb 0.00 -2.73 -0.01 0.00 -0.52 0.00 0.00 37.83 34.57 1x0r s LYS 35 CO 0.00 0.55 0.90 -1.58 -0.92 0.00 0.00 175.35 174.30 1x0r s TRP 36 N -1.49 3.39 0.03 3.18 0.52 -0.32 -3.77 118.94 120.48 1x0r s TRP 36 Ca 0.30 0.80 -0.03 0.00 0.02 0.00 0.00 56.10 57.19 1x0r s TRP 36 Cb -0.12 -2.65 -0.02 0.00 -1.15 0.00 0.00 33.47 29.53 1x0r s TRP 36 CO 0.23 -0.70 0.04 -0.59 0.02 0.00 0.00 176.95 175.95 1x0r s PHE 37 N -2.98 0.26 -0.30 -1.98 -0.12 -0.49 -0.15 117.98 112.22 1x0r s PHE 37 Ca 0.53 -0.58 -0.08 0.00 -0.05 0.00 0.00 56.93 56.75 1x0r s PHE 37 Cb -0.11 -0.19 0.00 0.00 -0.63 0.00 0.00 43.02 42.10 1x0r s PHE 37 CO 0.47 -0.31 0.10 0.08 -0.05 0.00 0.00 175.22 175.51 1x0r s VAL 38 N -2.39 4.13 -0.21 -2.49 1.01 0.57 -0.73 120.40 120.30 1x0r s VAL 38 Ca -0.07 -0.60 -0.10 0.00 0.00 0.00 0.00 61.98 61.21 1x0r s VAL 38 Cb -0.03 -3.12 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 1x0r s VAL 38 CO -0.04 0.09 0.12 -0.22 0.00 0.00 0.00 175.10 175.05 1x0r s LEU 39 N 1.53 4.09 0.09 3.92 2.96 -0.59 -1.36 118.68 129.33 1x0r s LEU 39 Ca 0.03 0.17 0.04 0.00 -0.22 0.00 0.00 54.13 54.15 1x0r s LEU 39 Cb -0.17 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.42 1x0r s LEU 39 CO 0.03 0.15 -0.11 0.72 -1.32 0.00 0.00 176.35 175.83 1x0r s PHE 40 N 0.53 1.08 0.32 5.38 -0.12 -0.47 -0.66 117.98 124.04 1x0r s PHE 40 Ca 0.07 -0.62 0.09 0.00 -0.05 0.00 0.00 56.93 56.42 1x0r s PHE 40 Cb -0.12 -0.59 -0.06 0.00 -0.63 0.00 0.00 43.02 41.62 1x0r s PHE 40 CO -0.00 0.01 -0.11 -1.54 -0.05 0.00 0.00 175.22 173.53 1x0r s SER 41 N -2.33 3.50 0.02 1.98 1.04 -0.01 -1.35 113.70 116.56 1x0r s SER 41 Ca 0.04 -1.16 -0.07 0.00 0.48 0.00 0.00 55.95 55.24 1x0r s SER 41 Cb -0.04 -0.30 -0.00 0.00 0.10 0.00 0.00 66.02 65.77 1x0r s SER 41 CO 0.00 -0.18 0.14 -1.38 0.98 0.00 0.00 173.24 172.81 1x0r s HIS 42 N -2.67 0.10 0.17 5.02 -3.43 0.43 -3.83 115.29 111.08 1x0r s HIS 42 Ca 0.31 -0.30 -0.14 0.00 -0.80 0.00 0.00 55.06 54.14 1x0r s HIS 42 Cb 0.01 -0.08 0.07 0.00 -1.43 0.00 0.00 32.58 31.15 1x0r s HIS 42 CO 0.15 -0.35 1.83 -1.00 -2.00 0.00 0.00 174.74 173.37 1x0r h PRO 43 N 3.85 0.72 -1.67 -0.38 0.13 -1.72 -3.39 132.00 129.54 1x0r h PRO 43 Ca -0.32 -0.05 0.06 0.00 -0.87 0.00 0.00 66.00 64.82 1x0r h PRO 43 Cb 1.19 -0.16 -0.25 0.00 0.13 0.00 0.00 31.00 31.91 1x0r h PRO 43 CO 0.46 0.49 0.36 0.00 -0.23 0.00 0.00 178.00 179.08 1x0r s ALA 44 N -6.08 -2.01 0.76 -0.56 0.00 -1.26 -4.29 121.76 108.32 1x0r s ALA 44 Ca -0.13 2.02 -0.15 0.00 0.00 0.00 0.00 51.96 53.70 1x0r s ALA 44 Cb 0.12 -1.47 0.05 0.00 0.00 0.00 0.00 23.12 21.82 1x0r s ALA 44 CO 0.75 -0.29 1.19 -0.25 0.00 0.00 0.00 175.76 177.16 1x0r n ASP 45 N 2.80 1.20 -3.63 0.00 9.92 -1.26 -3.03 116.55 122.55 1x0r n ASP 45 Ca -0.15 0.66 -0.26 0.00 -0.53 0.00 0.00 54.79 54.51 1x0r n ASP 45 Cb 0.56 -1.50 0.04 0.00 -0.64 0.00 0.00 41.12 39.58 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 -2.82 -2.44 -4.48 1.24 3.01 -1.26 -4.99 117.46 105.72 1x0r n PHE 46 Ca 0.14 0.86 -0.21 0.00 1.01 0.00 0.00 57.45 59.25 1x0r n PHE 46 Cb 0.50 -4.36 -0.14 0.00 -0.01 0.00 0.00 39.48 35.47 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 -3.26 1.14 0.13 4.37 -4.23 -1.17 -5.10 115.64 107.53 1x0r s THR 47 Ca 0.57 -0.86 -0.14 0.00 -1.18 0.00 0.00 61.69 60.08 1x0r s THR 47 Cb -0.27 -1.00 -0.01 0.00 1.34 0.00 0.00 72.50 72.56 1x0r s THR 47 CO 0.70 0.13 1.59 1.55 -0.54 0.00 0.00 174.62 178.06 1x0r h PRO 48 N 5.26 0.73 -0.76 3.99 0.13 -1.94 -2.24 132.00 137.17 1x0r h PRO 48 Ca -0.37 -0.22 -0.04 0.00 -0.87 0.00 0.00 66.00 64.50 1x0r h PRO 48 Cb 1.17 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 32.19 1x0r h PRO 48 CO 0.46 0.79 0.30 0.28 -0.23 0.00 0.00 178.00 179.60 1x0r h VAL 49 N 0.57 1.26 -0.89 1.56 2.07 -1.99 0.22 116.25 119.05 1x0r h VAL 49 Ca 0.12 -0.80 0.01 0.00 0.82 0.00 0.00 66.70 66.85 1x0r h VAL 49 Cb 0.44 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 1x0r h VAL 49 CO 0.02 0.33 0.59 0.00 0.02 0.00 0.00 177.57 178.52 1x0r h THR 51 N 1.20 1.31 -0.26 0.00 2.02 -0.64 -0.03 112.91 116.50 1x0r h THR 51 Ca 0.33 -1.73 -0.11 0.00 0.77 0.00 0.00 66.41 65.68 1x0r h THR 51 Cb -0.12 1.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 1x0r h THR 51 CO -0.08 0.54 -0.29 0.71 0.37 0.00 0.00 175.52 176.77 1x0r h THR 52 N 0.44 1.28 -0.47 3.16 1.35 0.12 -2.18 112.91 116.62 1x0r h THR 52 Ca 0.02 -1.37 -0.12 0.00 -0.55 0.00 0.00 66.41 64.39 1x0r h THR 52 Cb 1.03 1.40 -0.01 0.00 -1.73 0.00 0.00 68.15 68.84 1x0r h THR 52 CO 0.10 0.43 -0.18 -0.33 -0.25 0.00 0.00 175.52 175.29 1x0r h GLU 53 N 0.46 0.95 -0.59 4.72 5.08 -0.04 -0.88 114.58 124.28 1x0r h GLU 53 Ca 0.06 -0.40 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 1x0r h GLU 53 Cb 0.74 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 1x0r h GLU 53 CO 0.06 1.06 0.31 0.74 -1.00 0.00 0.00 179.01 180.18 1x0r h PHE 54 N 0.79 0.82 -0.87 4.33 -1.00 -0.64 -0.05 116.94 120.33 1x0r h PHE 54 Ca 0.11 -0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.86 1x0r h PHE 54 Cb 0.75 -0.26 -0.04 0.00 3.61 0.00 0.00 35.95 40.01 1x0r h PHE 54 CO 0.05 0.60 0.51 0.28 -1.61 0.00 0.00 178.31 178.15 1x0r h VAL 55 N 0.79 1.24 -0.15 -0.55 2.07 -1.33 0.41 116.25 118.74 1x0r h VAL 55 Ca 0.20 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 1x0r h VAL 55 Cb 0.07 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 1x0r h VAL 55 CO -0.03 0.26 0.00 -1.28 0.02 0.00 0.00 177.57 176.54 1x0r h SER 56 N 1.19 0.25 -0.51 0.57 0.87 -0.39 0.11 113.55 115.64 1x0r h SER 56 Ca 0.31 -0.31 0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1x0r h SER 56 Cb -0.03 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 61.83 1x0r h SER 56 CO -0.06 0.50 0.33 -0.26 -0.53 0.00 0.00 176.83 176.81 1x0r h PHE 57 N 0.00 0.62 -0.60 2.24 -1.00 -0.93 -1.59 116.94 115.68 1x0r h PHE 57 Ca 0.04 0.02 -0.05 0.00 2.81 0.00 0.00 57.97 60.79 1x0r h PHE 57 Cb 0.37 -0.21 -0.03 0.00 3.61 0.00 0.00 35.95 39.69 1x0r h PHE 57 CO 0.03 0.38 0.18 0.00 -1.61 0.00 0.00 178.31 177.30 1x0r h ALA 58 N 1.20 0.79 0.00 2.45 0.00 0.24 0.15 119.26 124.08 1x0r h ALA 58 Ca 0.19 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1x0r h ALA 58 Cb -0.05 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.50 1x0r h ALA 58 CO -0.05 0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.66 1x0r h ARG 59 N 0.86 0.00 -0.69 0.00 3.08 -0.65 -2.03 114.38 114.94 1x0r h ARG 59 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1x0r h ARG 59 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1x0r h ARG 59 CO -0.00 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.44 1x0r n ARG 60 N -3.03 2.70 -0.25 0.04 1.74 -0.51 -4.64 116.66 112.70 1x0r n ARG 60 Ca 0.01 -2.62 -0.01 0.00 -0.77 0.00 0.00 57.85 54.45 1x0r n ARG 60 Cb 0.30 -1.56 0.10 0.00 -1.02 0.00 0.00 32.46 30.28 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 4.33 0.79 -0.47 -1.55 3.20 0.01 -0.76 116.97 122.53 1x0r h TYR 61 Ca 0.00 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1x0r h TYR 61 Cb 0.99 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.99 1x0r h TYR 61 CO 0.46 0.41 0.27 1.49 -1.64 0.00 0.00 178.16 179.14 1x0r h GLU 62 N 0.80 0.64 -0.76 1.82 4.81 -1.82 -0.46 114.58 119.61 1x0r h GLU 62 Ca 0.31 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.47 1x0r h GLU 62 Cb 0.14 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.35 1x0r h GLU 62 CO -0.16 0.47 0.41 -0.44 -0.73 0.00 0.00 179.01 178.56 1x0r h ASP 63 N 0.65 0.96 -0.55 1.04 3.32 -1.48 0.69 116.42 121.05 1x0r h ASP 63 Ca 0.17 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 57.02 1x0r h ASP 63 Cb 0.00 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 1x0r h ASP 63 CO -0.03 0.79 -0.00 -0.26 -1.72 0.00 0.00 179.24 178.01 1x0r h PHE 64 N 1.06 1.09 -0.88 4.55 -1.00 -0.91 -2.89 116.94 117.96 1x0r h PHE 64 Ca 0.27 -0.18 -0.02 0.00 2.81 0.00 0.00 57.97 60.84 1x0r h PHE 64 Cb 0.05 -0.29 -0.04 0.00 3.61 0.00 0.00 35.95 39.28 1x0r h PHE 64 CO 0.00 0.97 0.46 1.96 -1.61 0.00 0.00 178.31 180.09 1x0r h GLN 65 N 0.92 1.25 -0.74 1.51 4.20 -0.50 0.18 115.11 121.94 1x0r h GLN 65 Ca 0.17 -0.16 0.07 0.00 0.06 0.00 0.00 58.65 58.78 1x0r h GLN 65 Cb 0.54 -0.24 -0.05 0.00 0.30 0.00 0.00 27.48 28.04 1x0r h GLN 65 CO 0.03 0.93 0.48 0.00 -0.67 0.00 0.00 178.83 179.60 1x0r h ARG 66 N 1.25 0.72 -0.02 1.46 3.08 -0.86 0.69 114.38 120.70 1x0r h ARG 66 Ca 0.31 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1x0r h ARG 66 Cb 0.07 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.96 1x0r h ARG 66 CO -0.04 0.48 0.00 1.28 -1.07 0.00 0.00 179.97 180.61 1x0r n LEU 67 N -4.48 1.45 -0.34 3.04 4.77 -0.07 -4.91 117.00 116.46 1x0r n LEU 67 Ca 0.11 -0.48 -0.01 0.00 -0.03 0.00 0.00 56.01 55.59 1x0r n LEU 67 Cb 0.25 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1x0r n LEU 67 CO 0.33 0.24 -0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1x0r n GLY 68 N 1.17 0.52 3.23 -0.72 0.00 0.23 -4.88 105.19 104.75 1x0r n GLY 68 Ca 0.19 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.41 1.93 0.28 1.61 1.01 -0.49 -1.17 120.40 121.16 1x0r s VAL 69 Ca 0.01 -0.99 0.07 0.00 0.00 0.00 0.00 61.98 61.08 1x0r s VAL 69 Cb -0.01 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 1x0r s VAL 69 CO 0.02 0.54 0.21 -0.62 0.00 0.00 0.00 175.10 175.24 1x0r s ASP 70 N -0.03 5.37 0.03 3.32 -1.08 0.79 -3.83 116.67 121.23 1x0r s ASP 70 Ca -0.06 -0.36 0.07 0.00 -0.52 0.00 0.00 52.55 51.68 1x0r s ASP 70 Cb -0.14 -1.22 -0.03 0.00 -1.46 0.00 0.00 42.92 40.07 1x0r s ASP 70 CO 0.04 -0.14 -0.19 -0.76 0.52 0.00 0.00 175.17 174.64 1x0r s LEU 71 N -3.88 2.54 -0.11 -1.34 1.43 -1.26 -0.31 118.68 115.75 1x0r s LEU 71 Ca 0.35 -0.43 -0.04 0.00 -1.03 0.00 0.00 54.13 52.98 1x0r s LEU 71 Cb -0.07 -1.48 0.05 0.00 0.03 0.00 0.00 46.19 44.72 1x0r s LEU 71 CO 0.25 0.27 0.23 -0.51 0.23 0.00 0.00 176.35 176.81 1x0r s ILE 72 N -0.88 -0.24 0.78 -0.59 2.07 -0.46 -4.21 121.20 117.67 1x0r s ILE 72 Ca 0.14 0.25 -0.02 0.00 -1.41 0.00 0.00 60.65 59.60 1x0r s ILE 72 Cb -0.10 -0.37 0.16 0.00 0.13 0.00 0.00 42.46 42.27 1x0r s ILE 72 CO 0.04 0.10 1.07 -0.83 -1.91 0.00 0.00 174.94 173.42 1x0r s GLY 73 N 1.94 1.76 -0.27 1.50 0.00 0.28 -1.37 107.32 111.16 1x0r s GLY 73 Ca -0.02 -1.80 -0.22 0.00 0.00 0.00 0.00 44.72 42.68 1x0r s GLY 73 CO -0.08 -1.15 0.71 -2.27 0.00 0.00 0.00 173.10 170.32 1x0r s LEU 74 N -5.29 -0.82 0.35 0.66 1.98 -0.46 0.13 118.68 115.24 1x0r s LEU 74 Ca 0.69 1.47 -0.07 0.00 -2.89 0.00 0.00 54.13 53.34 1x0r s LEU 74 Cb -0.04 2.44 0.02 0.00 0.66 0.00 0.00 46.19 49.27 1x0r s LEU 74 CO 0.46 -0.25 0.57 -0.94 -1.89 0.00 0.00 176.35 174.31 1x0r s SER 75 N 0.80 0.63 0.00 3.68 1.04 -0.95 -0.43 113.70 118.47 1x0r s SER 75 Ca -0.03 -1.37 0.25 0.00 0.48 0.00 0.00 55.95 55.28 1x0r s SER 75 Cb -0.05 0.72 1.10 0.00 0.10 0.00 0.00 66.02 67.89 1x0r s SER 75 CO -0.06 -1.41 1.76 0.55 0.98 0.00 0.00 173.24 175.05 1x0r n VAL 76 N -0.55 0.06 -1.59 5.02 3.14 -1.26 -0.73 118.33 122.41 1x0r n VAL 76 Ca -0.02 -0.22 -0.30 0.00 -2.96 0.00 0.00 64.34 60.84 1x0r n VAL 76 Cb 0.61 0.23 0.08 0.00 -1.06 0.00 0.00 33.84 33.69 1x0r n VAL 76 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1x0r s ASP 77 N -1.83 4.78 0.73 6.55 1.11 -1.26 -2.18 116.67 124.58 1x0r s ASP 77 Ca 0.37 1.35 -0.11 0.00 0.18 0.00 0.00 52.55 54.33 1x0r s ASP 77 Cb 0.19 -2.12 0.03 0.00 1.07 0.00 0.00 42.92 42.09 1x0r s ASP 77 CO 0.31 -1.79 1.09 -0.94 1.18 0.00 0.00 175.17 175.01 1x0r s SER 78 N -3.93 5.14 0.55 0.27 1.04 -1.26 -3.60 113.70 111.91 1x0r s SER 78 Ca 0.60 1.25 0.33 0.00 0.48 0.00 0.00 55.95 58.61 1x0r s SER 78 Cb -0.14 -2.04 1.58 0.00 0.10 0.00 0.00 66.02 65.51 1x0r s SER 78 CO 0.54 -1.55 2.08 -0.37 0.98 0.00 0.00 173.24 174.92 1x0r h VAL 79 N -0.80 0.25 -0.08 5.02 -1.51 -1.94 -0.45 116.25 116.75 1x0r h VAL 79 Ca -0.46 -0.48 -0.02 0.00 -1.23 0.00 0.00 66.70 64.51 1x0r h VAL 79 Cb 1.25 1.37 -0.00 0.00 -2.13 0.00 0.00 31.29 31.78 1x0r h VAL 79 CO 0.62 0.06 -0.04 -0.26 -1.23 0.00 0.00 177.57 176.71 1x0r h PHE 80 N 0.00 0.19 -0.28 5.19 -1.00 -1.99 -0.65 116.94 118.39 1x0r h PHE 80 Ca -0.00 -0.05 0.02 0.00 2.81 0.00 0.00 57.97 60.75 1x0r h PHE 80 Cb 0.37 -0.04 -0.03 0.00 3.61 0.00 0.00 35.95 39.86 1x0r h PHE 80 CO 0.00 0.55 0.12 0.77 -1.61 0.00 0.00 178.31 178.14 1x0r h SER 81 N -0.22 0.16 -0.47 2.17 0.02 -1.85 -2.36 113.55 111.00 1x0r h SER 81 Ca 0.02 0.02 0.08 0.00 -0.84 0.00 0.00 61.79 61.07 1x0r h SER 81 Cb 0.50 -0.01 -0.10 0.00 0.14 0.00 0.00 62.40 62.94 1x0r h SER 81 CO 0.01 0.13 -0.37 0.45 -1.14 0.00 0.00 176.83 175.91 1x0r h HIS 82 N 0.26 -1.05 -0.63 3.45 3.86 -0.83 0.18 115.15 120.39 1x0r h HIS 82 Ca 0.12 0.07 0.04 0.00 -1.16 0.00 0.00 60.37 59.44 1x0r h HIS 82 Cb 0.06 0.53 -0.05 0.00 1.06 0.00 0.00 27.41 29.01 1x0r h HIS 82 CO -0.11 -0.40 0.36 0.82 0.86 0.00 0.00 177.93 179.46 1x0r h ILE 83 N -0.25 1.02 -0.23 2.45 2.04 -1.02 -0.56 117.51 120.96 1x0r h ILE 83 Ca 0.18 -0.24 -0.11 0.00 1.00 0.00 0.00 64.86 65.69 1x0r h ILE 83 Cb 0.56 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1x0r h ILE 83 CO -0.60 0.13 -0.33 0.11 0.00 0.00 0.00 178.15 177.45 1x0r h LYS 84 N 0.70 0.48 -0.10 2.37 1.79 -1.01 -0.86 116.57 119.95 1x0r h LYS 84 Ca 0.27 -0.21 -0.21 0.00 -2.18 0.00 0.00 60.65 58.32 1x0r h LYS 84 Cb 0.10 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 1x0r h LYS 84 CO -0.14 0.76 -0.79 2.35 -1.08 0.00 0.00 179.45 180.54 1x0r h TRP 85 N 0.41 0.81 -0.42 -1.35 7.01 -0.27 -1.18 115.95 120.95 1x0r h TRP 85 Ca 0.05 -0.37 -0.05 0.00 2.11 0.00 0.00 58.89 60.63 1x0r h TRP 85 Cb 0.78 -0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 27.70 1x0r h TRP 85 CO 0.03 1.17 0.05 0.87 -2.79 0.00 0.00 178.44 177.77 1x0r h LYS 86 N 0.39 0.65 -0.45 2.65 1.57 -0.74 0.07 116.57 120.72 1x0r h LYS 86 Ca -0.05 -0.14 -0.11 0.00 -1.87 0.00 0.00 60.65 58.48 1x0r h LYS 86 Cb 1.40 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.60 1x0r h LYS 86 CO 0.15 0.63 -0.14 0.93 -0.57 0.00 0.00 179.45 180.45 1x0r h GLU 87 N 0.63 0.89 -0.27 3.15 5.08 -0.73 -1.92 114.58 121.41 1x0r h GLU 87 Ca 0.14 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 58.12 1x0r h GLU 87 Cb 0.31 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1x0r h GLU 87 CO 0.01 1.00 0.10 2.35 -1.00 0.00 0.00 179.01 181.47 1x0r h TRP 88 N 0.72 0.43 -0.58 4.33 7.01 -0.18 0.09 115.95 127.77 1x0r h TRP 88 Ca 0.11 -0.04 0.03 0.00 2.11 0.00 0.00 58.89 61.11 1x0r h TRP 88 Cb 0.70 -0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 27.59 1x0r h TRP 88 CO 0.05 0.44 0.34 0.82 -2.79 0.00 0.00 178.44 177.30 1x0r h ILE 89 N 0.29 1.03 -0.50 2.65 2.04 -0.93 0.56 117.51 122.64 1x0r h ILE 89 Ca 0.09 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 1x0r h ILE 89 Cb 0.20 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 1x0r h ILE 89 CO -0.01 0.12 0.30 -0.33 0.00 0.00 0.00 178.15 178.23 1x0r h GLU 90 N 0.66 0.68 -0.01 2.37 5.08 -1.08 0.14 114.58 122.42 1x0r h GLU 90 Ca 0.24 -0.06 -0.23 0.00 -1.00 0.00 0.00 59.36 58.31 1x0r h GLU 90 Cb 0.07 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1x0r h GLU 90 CO -0.12 0.50 -0.93 -0.09 -1.00 0.00 0.00 179.01 177.37 1x0r h ARG 91 N 0.67 0.46 0.00 2.33 2.43 -0.59 -2.17 114.38 117.51 1x0r h ARG 91 Ca 0.18 -0.48 -0.08 0.00 -0.81 0.00 0.00 59.98 58.79 1x0r h ARG 91 Cb -0.00 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 1x0r h ARG 91 CO -0.03 1.13 -2.04 0.72 -1.51 0.00 0.00 179.97 178.23 1x0r n HIS 92 N -3.77 0.05 0.01 2.20 8.25 0.19 -4.48 115.22 117.67 1x0r n HIS 92 Ca -0.07 0.02 0.06 0.00 -0.26 0.00 0.00 57.72 57.46 1x0r n HIS 92 Cb 0.83 -0.64 -0.09 0.00 1.12 0.00 0.00 29.99 31.21 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 -2.39 0.00 -0.64 1.59 2.08 0.39 -4.78 119.36 115.61 1x0r n ILE 93 Ca -0.10 -0.26 0.00 0.00 0.56 0.00 0.00 62.75 62.95 1x0r n ILE 93 Cb 0.70 0.26 0.00 0.00 -0.75 0.00 0.00 39.64 39.86 1x0r n ILE 93 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1x0r n GLY 94 N 1.84 0.63 3.08 7.39 0.00 -0.67 -4.91 105.19 112.56 1x0r n GLY 94 Ca -0.02 -0.47 -0.24 0.00 0.00 0.00 0.00 46.02 45.30 1x0r n GLY 94 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x0r s VAL 95 N -2.00 1.17 -0.14 1.61 -7.23 -1.21 -4.95 120.40 107.65 1x0r s VAL 95 Ca 0.00 -0.58 -0.21 0.00 -1.81 0.00 0.00 61.98 59.38 1x0r s VAL 95 Cb 0.00 -1.01 -0.03 0.00 0.56 0.00 0.00 36.38 35.90 1x0r s VAL 95 CO 0.00 0.34 0.62 -0.60 -0.31 0.00 0.00 175.10 175.15 1x0r s ARG 96 N 0.06 4.31 -0.19 4.82 3.52 -1.26 -2.89 118.95 127.32 1x0r s ARG 96 Ca -0.03 0.67 -0.27 0.00 -0.13 0.00 0.00 55.73 55.98 1x0r s ARG 96 Cb -0.10 -3.50 -0.01 0.00 -1.56 0.00 0.00 34.95 29.78 1x0r s ARG 96 CO 0.01 -0.05 0.91 0.42 -0.81 0.00 0.00 175.30 175.78 1x0r s ILE 97 N 1.27 4.80 -2.52 4.11 -1.09 -1.26 -4.92 121.20 121.58 1x0r s ILE 97 Ca 0.31 1.78 0.25 0.00 -2.23 0.00 0.00 60.65 60.76 1x0r s ILE 97 Cb -0.16 -4.20 0.25 0.00 -1.58 0.00 0.00 42.46 36.77 1x0r s ILE 97 CO 0.13 -0.06 1.39 -0.81 -1.23 0.00 0.00 174.94 174.36 1x0r n PRO 98 N 5.67 1.75 -4.22 2.79 -0.04 -1.26 -4.96 135.00 134.73 1x0r n PRO 98 Ca 0.07 -1.32 -0.25 0.00 -0.04 0.00 0.00 63.50 61.97 1x0r n PRO 98 Cb 0.48 -1.47 -0.08 0.00 -0.04 0.00 0.00 33.50 32.39 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 -2.16 2.60 0.58 0.54 -0.12 -1.26 -5.10 117.98 113.06 1x0r s PHE 99 Ca 0.28 -0.52 -0.15 0.00 -0.05 0.00 0.00 56.93 56.49 1x0r s PHE 99 Cb 0.20 -1.76 -0.04 0.00 -0.63 0.00 0.00 43.02 40.79 1x0r s PHE 99 CO 0.39 0.32 1.04 -1.25 -0.05 0.00 0.00 175.22 175.67 1x0r s PRO 100 N -3.82 3.44 -0.09 1.99 0.04 -1.26 -4.86 135.00 130.43 1x0r s PRO 100 Ca 0.38 1.12 0.04 0.00 0.04 0.00 0.00 61.00 62.58 1x0r s PRO 100 Cb 0.02 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1x0r s PRO 100 CO 0.21 -0.70 -0.22 0.42 0.04 0.00 0.00 177.00 176.75 1x0r s ILE 101 N -2.55 1.88 0.47 0.56 1.01 -1.26 0.10 121.20 121.41 1x0r s ILE 101 Ca 0.62 -0.92 -0.20 0.00 0.00 0.00 0.00 60.65 60.16 1x0r s ILE 101 Cb -0.14 -1.64 -0.09 0.00 0.01 0.00 0.00 42.46 40.59 1x0r s ILE 101 CO 0.37 0.52 0.98 -0.63 0.00 0.00 0.00 174.94 176.19 1x0r s ILE 102 N 0.41 4.26 -0.24 2.92 1.01 0.34 -1.18 121.20 128.71 1x0r s ILE 102 Ca -0.18 1.32 -0.00 0.00 0.00 0.00 0.00 60.65 61.79 1x0r s ILE 102 Cb -0.18 -3.58 0.03 0.00 0.01 0.00 0.00 42.46 38.75 1x0r s ILE 102 CO 0.08 -0.39 -0.09 0.00 0.00 0.00 0.00 174.94 174.54 1x0r s ALA 103 N -2.25 2.62 -0.57 9.38 0.00 0.47 -2.24 121.76 129.17 1x0r s ALA 103 Ca 0.63 -1.51 0.06 0.00 0.00 0.00 0.00 51.96 51.13 1x0r s ALA 103 Cb -0.11 -1.61 0.21 0.00 0.00 0.00 0.00 23.12 21.61 1x0r s ALA 103 CO 0.20 -0.86 0.55 -0.40 0.00 0.00 0.00 175.76 175.24 1x0r n ASP 104 N 4.61 2.04 -4.69 0.00 3.85 0.09 -4.60 116.55 117.84 1x0r n ASP 104 Ca -0.16 -3.02 -0.38 0.00 -0.71 0.00 0.00 54.79 50.51 1x0r n ASP 104 Cb 0.46 -0.67 0.04 0.00 -1.35 0.00 0.00 41.12 39.61 1x0r n ASP 104 CO 0.00 0.00 0.00 -0.81 -1.01 0.00 0.00 177.20 175.38 1x0r n PRO 105 N 1.70 1.40 0.00 0.11 -0.04 -0.92 -0.04 135.00 137.20 1x0r n PRO 105 Ca 0.25 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 64.23 1x0r n PRO 105 Cb 0.43 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 1x0r n PRO 105 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1x0r n GLN 106 N -0.98 0.00 -1.08 0.54 1.13 -1.26 -4.57 117.38 111.17 1x0r n GLN 106 Ca 0.12 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 55.15 1x0r n GLN 106 Cb 0.45 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.79 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 0.00 0.59 0.20 1.08 0.00 0.94 -4.92 105.19 103.09 1x0r n GLY 107 Ca 0.00 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 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 0.64 -0.35 2.61 2.02 -1.80 0.19 112.91 116.22 1x0r h THR 108 Ca -0.05 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.07 1x0r h THR 108 Cb 0.25 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 1x0r h THR 108 CO 0.08 0.00 0.02 0.58 0.37 0.00 0.00 175.52 176.57 1x0r h VAL 109 N -0.35 1.25 -0.44 3.16 2.07 -1.91 -2.49 116.25 117.55 1x0r h VAL 109 Ca 0.01 -0.94 0.05 0.00 0.82 0.00 0.00 66.70 66.64 1x0r h VAL 109 Cb 0.33 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 1x0r h VAL 109 CO -0.05 0.31 0.17 0.00 0.02 0.00 0.00 177.57 178.02 1x0r h ALA 110 N 0.87 0.53 -0.71 1.67 0.00 -1.84 -1.10 119.26 118.68 1x0r h ALA 110 Ca 0.10 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1x0r h ALA 110 Cb 0.43 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1x0r h ALA 110 CO 0.01 -0.21 0.40 -0.09 0.00 0.00 0.00 179.25 179.36 1x0r h ARG 111 N 0.35 0.99 -0.06 0.00 2.43 -0.59 0.11 114.38 117.61 1x0r h ARG 111 Ca 0.20 -0.11 0.02 0.00 -0.81 0.00 0.00 59.98 59.28 1x0r h ARG 111 Cb 0.18 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1x0r h ARG 111 CO -0.19 0.73 0.06 0.00 -1.51 0.00 0.00 179.97 179.06 1x0r h ARG 112 N 0.98 0.00 -0.02 0.20 2.47 -0.75 -2.67 114.38 114.59 1x0r h ARG 112 Ca 0.25 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.97 1x0r h ARG 112 Cb 0.03 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.35 1x0r h ARG 112 CO -0.04 0.00 -0.06 1.28 0.56 0.00 0.00 179.97 181.71 1x0r n LEU 113 N -3.98 2.06 -2.06 3.04 4.77 -0.74 -4.33 117.00 115.75 1x0r n LEU 113 Ca -0.01 -0.95 -0.13 0.00 -0.03 0.00 0.00 56.01 54.88 1x0r n LEU 113 Cb 0.16 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.28 1x0r n LEU 113 CO 0.29 0.38 0.08 0.61 -1.33 0.00 0.00 177.39 177.42 1x0r n GLY 114 N 0.86 0.07 0.08 -0.72 0.00 0.18 -4.51 105.19 101.14 1x0r n GLY 114 Ca 0.08 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.77 0.68 -4.58 0.99 4.77 0.00 -4.79 117.00 111.30 1x0r n LEU 115 Ca -0.02 -0.10 -0.39 0.00 -0.03 0.00 0.00 56.01 55.47 1x0r n LEU 115 Cb 0.55 -0.20 -0.10 0.00 -2.33 0.00 0.00 43.42 41.33 1x0r n LEU 115 CO 0.32 0.15 -0.07 -0.76 -1.33 0.00 0.00 177.39 175.70 1x0r s LEU 116 N -2.85 4.11 0.00 2.23 1.43 -1.26 -0.69 118.68 121.66 1x0r s LEU 116 Ca 0.15 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 1x0r s LEU 116 Cb 0.18 -2.24 0.00 0.00 0.03 0.00 0.00 46.19 44.16 1x0r s LEU 116 CO 0.65 -0.14 0.00 1.41 0.23 0.00 0.00 176.35 178.50 1x0r n HIS 117 N 5.18 -0.78 0.35 0.29 8.25 -1.26 -4.99 115.22 122.27 1x0r n HIS 117 Ca -0.12 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.48 1x0r n HIS 117 Cb 0.51 0.00 0.44 0.00 1.12 0.00 0.00 29.99 32.06 1x0r n HIS 117 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1x0r h ALA 118 N 0.83 1.00 -0.47 -1.41 0.00 -1.97 -3.25 119.26 113.99 1x0r h ALA 118 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1x0r h ALA 118 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1x0r h ALA 118 CO 0.00 0.00 0.28 1.49 0.00 0.00 0.00 179.25 181.02 1x0r h GLU 119 N 0.00 0.64 -2.98 0.00 4.81 -1.95 -3.42 114.58 111.67 1x0r h GLU 119 Ca 0.00 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 59.02 1x0r h GLU 119 Cb 0.67 -0.14 -0.27 0.00 0.63 0.00 0.00 28.75 29.65 1x0r h GLU 119 CO 0.00 0.46 -0.40 0.45 -0.73 0.00 0.00 179.01 178.78 1x0r s SER 120 N -6.62 -0.32 0.13 1.04 0.15 -1.23 -5.01 113.70 101.85 1x0r s SER 120 Ca -0.09 0.60 0.25 0.00 0.70 0.00 0.00 55.95 57.42 1x0r s SER 120 Cb 0.17 0.55 0.61 0.00 -1.71 0.00 0.00 66.02 65.65 1x0r s SER 120 CO 0.75 -0.13 1.55 0.00 1.20 0.00 0.00 173.24 176.60 1x0r n ALA 121 N 3.52 2.70 -0.05 5.45 0.00 -1.26 -4.20 120.51 126.66 1x0r n ALA 121 Ca -0.18 -0.16 -0.02 0.00 0.00 0.00 0.00 53.44 53.07 1x0r n ALA 121 Cb 0.56 -1.30 -0.12 0.00 0.00 0.00 0.00 19.45 18.59 1x0r n ALA 121 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1x0r n THR 122 N -2.05 0.69 -4.31 0.00 -2.24 -1.26 -5.05 114.28 100.05 1x0r n THR 122 Ca 0.05 -0.55 -0.24 0.00 -2.27 0.00 0.00 64.05 61.04 1x0r n THR 122 Cb 0.42 -0.36 -0.12 0.00 -2.10 0.00 0.00 70.33 68.17 1x0r n THR 122 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1x0r s HIS 123 N -2.62 1.84 0.70 4.78 4.02 -1.26 -4.93 115.29 117.82 1x0r s HIS 123 Ca -0.07 -0.43 -0.11 0.00 1.02 0.00 0.00 55.06 55.47 1x0r s HIS 123 Cb 0.06 -0.98 0.01 0.00 -1.02 0.00 0.00 32.58 30.65 1x0r s HIS 123 CO 0.63 0.26 1.07 0.95 1.02 0.00 0.00 174.74 178.67 1x0r s THR 124 N -1.43 3.86 0.21 1.30 -4.23 -1.26 -4.61 115.64 109.48 1x0r s THR 124 Ca 0.10 0.60 -0.04 0.00 -1.18 0.00 0.00 61.69 61.18 1x0r s THR 124 Cb -0.09 -3.50 0.05 0.00 1.34 0.00 0.00 72.50 70.30 1x0r s THR 124 CO 0.05 -0.79 0.23 1.33 -0.54 0.00 0.00 174.62 174.90 1x0r n VAL 125 N -3.04 0.00 -3.18 2.29 0.24 0.14 -3.18 118.33 111.60 1x0r n VAL 125 Ca 0.07 -0.13 -0.45 0.00 -2.04 0.00 0.00 64.34 61.79 1x0r n VAL 125 Cb 0.55 -1.42 -0.00 0.00 -1.47 0.00 0.00 33.84 31.50 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 -3.51 4.05 0.41 7.34 0.52 0.10 -3.91 118.95 123.95 1x0r s ARG 126 Ca 0.14 -2.80 0.05 0.00 -0.52 0.00 0.00 55.73 52.59 1x0r s ARG 126 Cb -0.01 -4.74 0.00 0.00 0.52 0.00 0.00 34.95 30.72 1x0r s ARG 126 CO 0.10 -1.46 0.58 0.20 0.02 0.00 0.00 175.30 174.74 1x0r s GLY 127 N 2.10 1.70 -0.08 -3.53 0.00 -1.25 -1.08 107.32 105.19 1x0r s GLY 127 Ca 0.33 -1.40 -0.04 0.00 0.00 0.00 0.00 44.72 43.61 1x0r s GLY 127 CO -0.06 -1.25 0.17 0.14 0.00 0.00 0.00 173.10 172.11 1x0r s VAL 128 N -2.38 -0.05 -0.12 1.40 1.01 0.77 -0.83 120.40 120.21 1x0r s VAL 128 Ca 0.50 0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.67 1x0r s VAL 128 Cb -0.10 -0.28 -0.00 0.00 0.00 0.00 0.00 36.38 36.00 1x0r s VAL 128 CO 0.34 0.07 -0.20 -0.36 0.00 0.00 0.00 175.10 174.95 1x0r s PHE 129 N 1.18 2.66 -0.18 5.22 0.40 0.17 -0.52 117.98 126.91 1x0r s PHE 129 Ca -0.09 -1.00 -0.06 0.00 -0.60 0.00 0.00 56.93 55.19 1x0r s PHE 129 Cb -0.11 -1.78 -0.03 0.00 0.51 0.00 0.00 43.02 41.61 1x0r s PHE 129 CO -0.07 -0.41 0.02 0.42 0.70 0.00 0.00 175.22 175.89 1x0r s ILE 130 N 0.47 4.27 -0.05 0.64 1.01 -0.42 -1.54 121.20 125.58 1x0r s ILE 130 Ca -0.14 -0.21 0.02 0.00 0.00 0.00 0.00 60.65 60.32 1x0r s ILE 130 Cb -0.17 -2.92 0.01 0.00 0.01 0.00 0.00 42.46 39.40 1x0r s ILE 130 CO 0.06 0.45 -0.10 -0.69 0.00 0.00 0.00 174.94 174.66 1x0r s VAL 131 N 0.62 0.94 0.96 2.92 1.01 0.09 -0.12 120.40 126.83 1x0r s VAL 131 Ca 0.01 -0.38 -0.15 0.00 0.00 0.00 0.00 61.98 61.45 1x0r s VAL 131 Cb -0.14 -0.87 0.22 0.00 0.00 0.00 0.00 36.38 35.59 1x0r s VAL 131 CO 0.02 0.31 1.31 1.51 0.00 0.00 0.00 175.10 178.25 1x0r s ASP 132 N 0.62 2.99 0.00 3.32 1.47 -0.57 -1.40 116.67 123.09 1x0r s ASP 132 Ca -0.12 0.07 0.20 0.00 1.18 0.00 0.00 52.55 53.89 1x0r s ASP 132 Cb -0.14 -0.06 1.15 0.00 -0.34 0.00 0.00 42.92 43.53 1x0r s ASP 132 CO 0.02 -2.80 1.59 0.00 0.68 0.00 0.00 175.17 174.67 1x0r n ALA 133 N -3.74 2.20 0.42 2.11 0.00 -1.25 -1.16 120.51 119.08 1x0r n ALA 133 Ca 0.17 -0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.61 1x0r n ALA 133 Cb 0.59 -1.32 0.19 0.00 0.00 0.00 0.00 19.45 18.91 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 -1.07 2.47 -0.75 0.00 1.74 -1.26 -4.60 116.66 113.19 1x0r n ARG 134 Ca 0.14 -2.22 0.00 0.00 -0.77 0.00 0.00 57.85 54.99 1x0r n ARG 134 Cb 0.09 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 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 1.46 0.58 3.70 -0.13 0.00 -0.31 -4.97 105.19 105.52 1x0r n GLY 135 Ca 0.18 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 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 4.73 0.00 1.61 1.01 -1.25 0.65 120.40 125.15 1x0r s VAL 136 Ca 0.00 -0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.60 1x0r s VAL 136 Cb 0.00 -3.06 -0.05 0.00 0.00 0.00 0.00 36.38 33.26 1x0r s VAL 136 CO 0.00 0.55 1.34 -0.63 0.00 0.00 0.00 175.10 176.36 1x0r s ILE 137 N -0.38 3.81 -0.09 2.22 1.01 0.05 -1.51 121.20 126.31 1x0r s ILE 137 Ca 0.09 1.21 0.12 0.00 0.00 0.00 0.00 60.65 62.07 1x0r s ILE 137 Cb -0.12 -3.78 -0.18 0.00 0.01 0.00 0.00 42.46 38.39 1x0r s ILE 137 CO 0.02 0.02 0.13 0.54 0.00 0.00 0.00 174.94 175.65 1x0r n ARG 138 N 5.08 1.38 -0.68 2.79 5.12 0.83 -0.51 116.66 130.68 1x0r n ARG 138 Ca 0.12 -0.05 0.00 0.00 -1.93 0.00 0.00 57.85 55.99 1x0r n ARG 138 Cb 0.44 -1.33 0.00 0.00 -1.16 0.00 0.00 32.46 30.41 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 -2.31 0.00 -3.64 0.55 -1.04 -1.21 -4.87 114.28 101.76 1x0r n THR 139 Ca -0.15 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.78 1x0r n THR 139 Cb 0.73 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 69.17 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 -0.37 -0.30 -4.42 1.43 0.32 -1.30 118.68 114.04 1x0r s LEU 141 Ca 0.00 0.72 0.01 0.00 -1.03 0.00 0.00 54.13 53.83 1x0r s LEU 141 Cb 0.00 1.73 0.09 0.00 0.03 0.00 0.00 46.19 48.04 1x0r s LEU 141 CO 0.00 -0.12 0.05 -0.31 0.23 0.00 0.00 176.35 176.19 1x0r s TYR 142 N 0.21 2.59 0.29 0.29 1.51 -1.26 -0.16 117.35 120.81 1x0r s TYR 142 Ca 0.04 -2.19 -0.00 0.00 -1.01 0.00 0.00 57.07 53.91 1x0r s TYR 142 Cb -0.05 -2.12 -0.04 0.00 -0.11 0.00 0.00 41.96 39.64 1x0r s TYR 142 CO -0.08 -0.88 0.49 0.71 -1.11 0.00 0.00 175.55 174.68 1x0r s TYR 143 N 1.31 3.49 0.00 2.71 1.51 -0.24 -4.95 117.35 121.18 1x0r s TYR 143 Ca 0.07 0.35 0.00 0.00 -1.01 0.00 0.00 57.07 56.48 1x0r s TYR 143 Cb -0.18 -1.88 0.00 0.00 -0.11 0.00 0.00 41.96 39.79 1x0r s TYR 143 CO -0.15 0.23 0.00 -0.35 -1.11 0.00 0.00 175.55 174.18 1x0r n PRO 144 N -1.32 0.00 0.00 -1.71 -0.04 -1.26 -0.72 135.00 129.95 1x0r n PRO 144 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1x0r n PRO 144 Cb 0.55 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 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 -3.66 0.54 0.00 -1.26 -4.56 120.64 111.70 1x0r n GLU 146 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 57.16 56.96 1x0r n GLU 146 Cb 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 31.44 31.26 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 0.14 0.67 -1.84 2.96 -1.26 -5.10 118.68 114.25 1x0r s LEU 147 Ca 0.00 0.01 -0.14 0.00 -0.22 0.00 0.00 54.13 53.78 1x0r s LEU 147 Cb 0.00 -0.10 0.01 0.00 0.50 0.00 0.00 46.19 46.60 1x0r s LEU 147 CO 0.00 -0.26 1.10 -0.83 -1.32 0.00 0.00 176.35 175.04 1x0r s GLY 148 N 2.18 2.07 0.84 7.98 0.00 -1.26 -4.95 107.32 114.18 1x0r s GLY 148 Ca 0.04 0.48 -0.13 0.00 0.00 0.00 0.00 44.72 45.12 1x0r s GLY 148 CO -0.04 0.83 1.21 0.50 0.00 0.00 0.00 173.10 175.60 1x0r s ARG 149 N -4.23 1.66 -0.42 2.90 0.52 -1.26 -5.03 118.95 113.09 1x0r s ARG 149 Ca 0.66 0.01 -0.06 0.00 -0.52 0.00 0.00 55.73 55.82 1x0r s ARG 149 Cb -0.20 -1.92 0.10 0.00 0.52 0.00 0.00 34.95 33.45 1x0r s ARG 149 CO 0.44 -1.79 0.24 -1.17 0.02 0.00 0.00 175.30 173.03 1x0r s LEU 150 N -5.66 5.24 0.41 2.53 2.96 -1.26 -4.95 118.68 117.95 1x0r s LEU 150 Ca 0.65 -1.84 0.15 0.00 -0.22 0.00 0.00 54.13 52.86 1x0r s LEU 150 Cb -0.10 -1.90 0.86 0.00 0.50 0.00 0.00 46.19 45.56 1x0r s LEU 150 CO 0.50 -0.56 1.89 0.58 -1.32 0.00 0.00 176.35 177.44 1x0r h VAL 151 N 6.26 1.15 0.00 1.68 2.07 -1.95 -1.82 116.25 123.63 1x0r h VAL 151 Ca -0.18 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.29 1x0r h VAL 151 Cb 1.06 1.57 -0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1x0r h VAL 151 CO 0.74 0.29 -0.04 0.44 0.02 0.00 0.00 177.57 179.02 1x0r h ASP 152 N 0.00 0.00 0.52 0.57 3.32 -1.92 -1.59 116.42 117.32 1x0r h ASP 152 Ca -0.00 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 1x0r h ASP 152 Cb 0.55 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 1x0r h ASP 152 CO 0.04 0.04 -0.58 -0.08 -1.72 0.00 0.00 179.24 176.94 1x0r h GLU 153 N 0.00 0.06 -0.55 3.56 4.57 -1.67 0.31 114.58 120.86 1x0r h GLU 153 Ca -0.00 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.10 1x0r h GLU 153 Cb 0.08 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 1x0r h GLU 153 CO 0.01 0.62 0.18 0.82 -1.18 0.00 0.00 179.01 179.46 1x0r h ILE 154 N 0.05 1.23 -0.64 2.32 2.04 -1.38 0.34 117.51 121.47 1x0r h ILE 154 Ca -0.01 -0.76 -0.00 0.00 1.00 0.00 0.00 64.86 65.09 1x0r h ILE 154 Cb 1.04 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 1x0r h ILE 154 CO 0.08 0.29 0.38 -0.07 0.00 0.00 0.00 178.15 178.83 1x0r h LEU 155 N 0.76 0.77 -0.72 1.44 3.38 -1.12 -1.80 115.31 118.01 1x0r h LEU 155 Ca 0.18 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1x0r h LEU 155 Cb 0.26 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1x0r h LEU 155 CO -0.01 0.60 0.30 -0.09 0.09 0.00 0.00 178.44 179.33 1x0r h ARG 156 N 0.86 1.07 0.07 1.13 2.43 -0.29 0.21 114.38 119.86 1x0r h ARG 156 Ca 0.23 -0.19 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1x0r h ARG 156 Cb -0.02 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.35 1x0r h ARG 156 CO -0.04 0.88 -0.04 0.82 -1.51 0.00 0.00 179.97 180.08 1x0r h ILE 157 N 1.03 0.95 -0.27 1.20 2.04 0.02 0.76 117.51 123.24 1x0r h ILE 157 Ca 0.24 -0.07 -0.12 0.00 1.00 0.00 0.00 64.86 65.91 1x0r h ILE 157 Cb 0.20 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 1x0r h ILE 157 CO -0.02 0.02 -0.34 1.62 0.00 0.00 0.00 178.15 179.43 1x0r h VAL 158 N -0.13 1.29 -0.33 1.67 3.04 -1.08 -0.17 116.25 120.54 1x0r h VAL 158 Ca -0.01 -1.46 0.01 0.00 -1.01 0.00 0.00 66.70 64.23 1x0r h VAL 158 Cb 0.10 1.44 -0.02 0.00 -2.01 0.00 0.00 31.29 30.81 1x0r h VAL 158 CO 0.02 0.47 0.20 0.50 -1.01 0.00 0.00 177.57 177.74 1x0r h LYS 159 N 0.50 0.39 -0.61 4.17 3.11 -0.36 -0.88 116.57 122.90 1x0r h LYS 159 Ca 0.06 -0.02 -0.09 0.00 -2.81 0.00 0.00 60.65 57.78 1x0r h LYS 159 Cb 0.82 -0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 31.94 1x0r h LYS 159 CO 0.07 0.26 0.03 0.00 -2.81 0.00 0.00 179.45 177.00 1x0r h ALA 160 N 1.14 0.90 -0.24 5.00 0.00 -0.54 0.95 119.26 126.47 1x0r h ALA 160 Ca 0.13 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1x0r h ALA 160 Cb -0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1x0r h ALA 160 CO -0.05 0.66 -0.10 -0.07 0.00 0.00 0.00 179.25 179.69 1x0r h LEU 161 N 0.96 0.51 -0.67 0.00 4.07 -0.89 0.35 115.31 119.64 1x0r h LEU 161 Ca 0.18 -0.40 0.01 0.00 0.08 0.00 0.00 57.88 57.75 1x0r h LEU 161 Cb 0.51 -0.14 -0.04 0.00 1.08 0.00 0.00 40.66 42.08 1x0r h LEU 161 CO 0.02 0.79 0.44 0.11 -1.08 0.00 0.00 178.44 178.72 1x0r h LYS 162 N 0.22 0.86 -0.26 1.13 1.57 -0.80 -0.76 116.57 118.54 1x0r h LYS 162 Ca 0.06 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1x0r h LYS 162 Cb 0.59 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1x0r h LYS 162 CO 0.03 0.57 0.01 -0.07 -0.57 0.00 0.00 179.45 179.42 1x0r h LEU 163 N 0.88 0.44 -1.31 2.94 3.38 -0.36 -1.84 115.31 119.44 1x0r h LEU 163 Ca 0.25 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1x0r h LEU 163 Cb -0.07 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1x0r h LEU 163 CO -0.07 0.63 0.22 1.23 0.09 0.00 0.00 178.44 180.54 1x0r h GLY 164 N 0.23 0.74 0.87 0.83 0.00 -0.07 -0.38 103.07 105.29 1x0r h GLY 164 Ca 0.07 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 1x0r h GLY 164 CO 0.01 0.33 0.04 -0.55 0.00 0.00 0.00 176.54 176.37 1x0r h ASP 165 N 0.69 0.42 1.38 0.19 5.19 -0.98 0.41 116.42 123.72 1x0r h ASP 165 Ca 0.17 -0.26 -0.10 0.00 -0.62 0.00 0.00 57.03 56.22 1x0r h ASP 165 Cb 0.10 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.48 1x0r h ASP 165 CO -0.02 0.57 -0.47 0.77 -3.12 0.00 0.00 179.24 176.96 1x0r h SER 166 N 0.25 0.00 -0.02 6.45 4.64 -1.21 -3.22 113.55 120.43 1x0r h SER 166 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1x0r h SER 166 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1x0r h SER 166 CO 0.00 0.47 -0.17 0.18 -0.87 0.00 0.00 176.83 176.45 1x0r n LEU 167 N -3.27 2.61 -3.58 5.97 4.32 -0.17 -4.98 117.00 117.90 1x0r n LEU 167 Ca 0.02 -0.92 -0.23 0.00 -0.02 0.00 0.00 56.01 54.86 1x0r n LEU 167 Cb 0.69 0.00 0.05 0.00 -1.62 0.00 0.00 43.42 42.54 1x0r n LEU 167 CO 0.40 0.45 -0.05 0.29 -1.22 0.00 0.00 177.39 177.26 1x0r n LYS 168 N 0.84 -2.97 -3.96 3.23 5.02 0.05 -5.03 118.16 115.34 1x0r n LYS 168 Ca 0.12 0.62 -0.12 0.00 -2.02 0.00 0.00 58.31 56.92 1x0r n LYS 168 Cb 0.54 -4.97 -0.13 0.00 -0.02 0.00 0.00 35.03 30.45 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 -5.59 0.20 0.44 1.97 1.81 -0.67 -4.60 118.95 112.51 1x0r s ARG 169 Ca 0.28 -0.27 -0.07 0.00 -1.72 0.00 0.00 55.73 53.95 1x0r s ARG 169 Cb -0.07 -0.05 -0.04 0.00 -0.45 0.00 0.00 34.95 34.33 1x0r s ARG 169 CO 0.81 0.01 0.76 0.00 -0.68 0.00 0.00 175.30 176.20 1x0r s ALA 170 N -0.57 3.41 -0.19 2.13 0.00 0.15 -4.40 121.76 122.29 1x0r s ALA 170 Ca -0.05 -0.43 -0.04 0.00 0.00 0.00 0.00 51.96 51.43 1x0r s ALA 170 Cb -0.04 -2.59 -0.02 0.00 0.00 0.00 0.00 23.12 20.47 1x0r s ALA 170 CO -0.00 -0.21 -0.04 0.08 0.00 0.00 0.00 175.76 175.59 1x0r s VAL 171 N -2.58 3.64 0.75 0.00 1.01 -1.26 -1.25 120.40 120.71 1x0r s VAL 171 Ca 0.48 -0.42 -0.13 0.00 0.00 0.00 0.00 61.98 61.91 1x0r s VAL 171 Cb -0.10 -2.63 0.05 0.00 0.00 0.00 0.00 36.38 33.70 1x0r s VAL 171 CO 0.40 0.45 1.12 -2.16 0.00 0.00 0.00 175.10 174.91 1x0r s PRO 172 N 0.97 2.21 0.33 2.72 0.04 -1.26 -4.93 135.00 135.09 1x0r s PRO 172 Ca 0.00 1.39 -0.26 0.00 0.04 0.00 0.00 61.00 62.17 1x0r s PRO 172 Cb -0.15 -1.88 -0.13 0.00 0.04 0.00 0.00 34.50 32.39 1x0r s PRO 172 CO 0.01 -1.71 0.92 0.00 0.04 0.00 0.00 177.00 176.27 1x0r n ALA 173 N -3.17 -0.43 -1.16 8.56 0.00 -1.26 -1.91 120.51 121.15 1x0r n ALA 173 Ca 0.11 0.33 -0.06 0.00 0.00 0.00 0.00 53.44 53.82 1x0r n ALA 173 Cb 0.52 -1.98 -0.02 0.00 0.00 0.00 0.00 19.45 17.97 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 1.11 -5.30 -4.61 0.00 8.00 -1.26 -4.02 116.55 110.47 1x0r n ASP 174 Ca 0.10 0.14 -0.38 0.00 0.71 0.00 0.00 54.79 55.36 1x0r n ASP 174 Cb 0.34 -3.29 0.04 0.00 -0.02 0.00 0.00 41.12 38.20 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 -2.30 0.86 0.10 1.24 -0.00 -0.80 -0.80 117.44 115.74 1x0r n TRP 175 Ca -0.06 0.45 -0.02 0.00 -0.00 0.00 0.00 57.50 57.88 1x0r n TRP 175 Cb 0.45 -2.15 0.14 0.00 -0.00 0.00 0.00 31.31 29.75 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 -0.74 2.26 -2.33 5.87 -0.04 -1.26 -4.90 135.00 133.85 1x0r n PRO 176 Ca 0.13 -1.37 -0.24 0.00 -0.04 0.00 0.00 63.50 61.98 1x0r n PRO 176 Cb 0.46 -1.71 0.01 0.00 -0.04 0.00 0.00 33.50 32.21 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 0.08 4.50 -4.76 3.54 3.02 0.02 -3.07 115.26 118.57 1x0r n ASN 177 Ca 0.18 -3.61 -0.40 0.00 -0.03 0.00 0.00 54.58 50.72 1x0r n ASN 177 Cb 0.81 -0.42 -0.04 0.00 -0.61 0.00 0.00 39.78 39.52 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 -3.55 7.04 0.29 6.41 3.84 -0.31 -4.82 114.94 123.85 1x0r s ASN 178 Ca 0.47 2.35 0.25 0.00 0.21 0.00 0.00 52.86 56.15 1x0r s ASN 178 Cb 0.40 -2.63 0.98 0.00 -0.55 0.00 0.00 41.25 39.45 1x0r s ASN 178 CO -0.09 -0.31 1.75 -0.33 -2.79 0.00 0.00 177.10 175.34 1x0r h GLU 179 N 3.50 0.00 0.03 0.43 5.08 -1.87 0.88 114.58 122.62 1x0r h GLU 179 Ca -0.47 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.51 1x0r h GLU 179 Cb 1.22 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.42 1x0r h GLU 179 CO 0.66 0.00 -2.13 -0.89 -1.00 0.00 0.00 179.01 175.64 1x0r n ILE 180 N -2.37 1.57 -0.98 3.13 5.41 -1.26 -4.72 119.36 120.14 1x0r n ILE 180 Ca 0.03 -0.41 0.03 0.00 1.00 0.00 0.00 62.75 63.40 1x0r n ILE 180 Cb 0.29 -1.77 0.04 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 -3.88 0.79 0.00 1.39 -5.35 -1.23 -5.08 119.36 106.00 1x0r n ILE 181 Ca -0.43 -0.89 0.00 0.00 -0.27 0.00 0.00 62.75 61.16 1x0r n ILE 181 Cb 0.90 0.41 0.00 0.00 -1.74 0.00 0.00 39.64 39.21 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 -0.53 1.30 1.15 3.28 0.00 0.30 0.25 105.19 110.95 1x0r n GLY 182 Ca 0.04 0.43 0.10 0.00 0.00 0.00 0.00 46.02 46.60 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 0.00 2.64 -0.63 1.61 0.28 -1.18 -1.16 120.64 122.21 1x0r n GLU 183 Ca 0.00 -2.43 -0.30 0.00 -0.16 0.00 0.00 57.16 54.27 1x0r n GLU 183 Cb 0.00 -1.49 0.20 0.00 1.43 0.00 0.00 31.44 31.58 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 -1.11 1.64 0.05 -1.84 0.00 0.14 -4.89 107.32 101.31 1x0r s GLY 184 Ca 0.41 0.34 0.07 0.00 0.00 0.00 0.00 44.72 45.54 1x0r s GLY 184 CO 0.29 0.87 -0.21 1.08 0.00 0.00 0.00 173.10 175.13 1x0r s LEU 185 N -6.85 2.18 -0.08 0.66 1.43 0.05 -4.57 118.68 111.50 1x0r s LEU 185 Ca 0.67 -0.55 -0.17 0.00 -1.03 0.00 0.00 54.13 53.06 1x0r s LEU 185 Cb -0.24 -0.97 -0.05 0.00 0.03 0.00 0.00 46.19 44.96 1x0r s LEU 185 CO 0.61 0.15 0.46 -0.63 0.23 0.00 0.00 176.35 177.17 1x0r s ILE 186 N -0.85 5.12 -0.14 -0.59 1.01 -0.38 -1.36 121.20 124.00 1x0r s ILE 186 Ca 0.07 0.94 -0.26 0.00 0.00 0.00 0.00 60.65 61.40 1x0r s ILE 186 Cb -0.09 -3.79 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 1x0r s ILE 186 CO 0.02 0.41 0.84 -0.69 0.00 0.00 0.00 174.94 175.52 1x0r s VAL 187 N 0.08 4.89 0.21 2.92 1.01 -0.12 0.34 120.40 129.74 1x0r s VAL 187 Ca 0.25 1.67 -0.32 0.00 0.00 0.00 0.00 61.98 63.59 1x0r s VAL 187 Cb -0.16 -4.15 -0.15 0.00 0.00 0.00 0.00 36.38 31.92 1x0r s VAL 187 CO 0.11 0.06 1.24 -0.81 0.00 0.00 0.00 175.10 175.70 1x0r n PRO 188 N 4.97 1.51 -1.67 2.72 -0.04 -1.26 -4.57 135.00 136.66 1x0r n PRO 188 Ca 0.04 0.54 -0.40 0.00 -0.04 0.00 0.00 63.50 63.64 1x0r n PRO 188 Cb 0.49 -2.08 0.03 0.00 -0.04 0.00 0.00 33.50 31.90 1x0r n PRO 188 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1x0r n PRO 189 N 1.73 1.49 -1.99 0.54 -0.04 -1.26 -4.95 135.00 130.52 1x0r n PRO 189 Ca 0.13 0.54 -0.36 0.00 -0.04 0.00 0.00 63.50 63.77 1x0r n PRO 189 Cb 0.28 -2.30 0.03 0.00 -0.04 0.00 0.00 33.50 31.47 1x0r n PRO 189 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1x0r s PRO 190 N -2.46 3.01 0.00 0.54 0.02 -1.26 -4.92 135.00 129.93 1x0r s PRO 190 Ca 0.68 1.88 0.10 0.00 0.02 0.00 0.00 61.00 63.68 1x0r s PRO 190 Cb -0.47 -1.99 0.09 0.00 0.02 0.00 0.00 34.50 32.15 1x0r s PRO 190 CO 0.53 -1.19 0.84 0.25 -0.33 0.00 0.00 177.00 177.10 1x0r n THR 191 N -1.48 0.05 -4.22 0.99 -2.24 -1.26 -4.89 114.28 101.23 1x0r n THR 191 Ca 0.13 -0.52 -0.17 0.00 -2.27 0.00 0.00 64.05 61.22 1x0r n THR 191 Cb 0.49 1.17 -0.11 0.00 -2.10 0.00 0.00 70.33 69.78 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 -0.84 1.22 0.21 4.28 -4.23 -1.26 -5.04 115.64 109.97 1x0r s THR 192 Ca 0.12 -1.69 -0.10 0.00 -1.18 0.00 0.00 61.69 58.84 1x0r s THR 192 Cb 0.08 -1.48 0.13 0.00 1.34 0.00 0.00 72.50 72.58 1x0r s THR 192 CO 0.13 -0.46 1.79 -0.33 -0.54 0.00 0.00 174.62 175.21 1x0r h GLU 193 N 3.53 0.58 -0.65 3.99 5.08 -1.99 0.27 114.58 125.40 1x0r h GLU 193 Ca -0.39 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 57.89 1x0r h GLU 193 Cb 1.19 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 1x0r h GLU 193 CO 0.51 0.38 0.21 -0.44 -1.00 0.00 0.00 179.01 178.68 1x0r h ASP 194 N 0.60 0.91 -0.39 1.42 3.32 -1.99 0.09 116.42 120.38 1x0r h ASP 194 Ca 0.29 -0.15 -0.11 0.00 0.02 0.00 0.00 57.03 57.08 1x0r h ASP 194 Cb 0.23 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1x0r h ASP 194 CO -0.21 0.85 -0.20 -0.61 -1.72 0.00 0.00 179.24 177.35 1x0r h GLN 195 N 0.95 0.82 -0.47 3.56 4.15 -1.79 -0.96 115.11 121.37 1x0r h GLN 195 Ca 0.21 -0.36 0.03 0.00 0.77 0.00 0.00 58.65 59.30 1x0r h GLN 195 Cb 0.26 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.89 1x0r h GLN 195 CO -0.01 1.00 0.26 0.00 -1.93 0.00 0.00 178.83 178.15 1x0r h ALA 196 N 0.80 0.60 -0.53 3.38 0.00 -0.06 -0.08 119.26 123.38 1x0r h ALA 196 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1x0r h ALA 196 Cb 0.76 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1x0r h ALA 196 CO 0.06 -0.06 -0.08 -0.09 0.00 0.00 0.00 179.25 179.08 1x0r h ARG 197 N 0.53 0.96 -0.35 0.00 2.43 -0.89 -2.98 114.38 114.07 1x0r h ARG 197 Ca 0.20 -0.33 -0.11 0.00 -0.81 0.00 0.00 59.98 58.93 1x0r h ARG 197 Cb 0.05 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1x0r h ARG 197 CO -0.11 1.00 -0.20 0.00 -1.51 0.00 0.00 179.97 179.15 1x0r h ALA 198 N 1.03 0.50 0.00 2.80 0.00 -0.49 -0.84 119.26 122.26 1x0r h ALA 198 Ca 0.14 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1x0r h ALA 198 Cb 0.62 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1x0r h ALA 198 CO 0.04 0.45 0.00 -2.13 0.00 0.00 0.00 179.25 177.61 1x0r n ARG 199 N -4.28 0.00 0.00 0.00 0.63 -0.10 -0.88 116.66 112.02 1x0r n ARG 199 Ca -0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 1x0r n ARG 199 Cb 0.42 -1.37 0.00 0.00 0.45 0.00 0.00 32.46 31.96 1x0r n ARG 199 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1x0r n GLU 201 N 0.90 0.00 0.24 -0.14 1.02 -0.32 -3.68 120.64 118.65 1x0r n GLU 201 Ca 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.21 1x0r n GLU 201 Cb 0.00 0.00 0.58 0.00 -0.02 0.00 0.00 31.44 32.00 1x0r n GLU 201 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1x0r h SER 202 N 0.00 0.00 -1.58 1.62 4.64 -1.29 -3.46 113.55 113.48 1x0r h SER 202 Ca 0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 1x0r h SER 202 Cb 0.00 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 61.97 1x0r h SER 202 CO 0.00 0.16 -0.34 0.61 -0.87 0.00 0.00 176.83 176.39 1x0r n GLY 203 N -0.98 1.25 0.53 -0.77 0.00 -1.24 -4.87 105.19 99.11 1x0r n GLY 203 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.13 1x0r n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x0r n GLN 204 N -2.27 1.72 -4.26 1.61 10.64 -1.26 -4.89 117.38 118.67 1x0r n GLN 204 Ca -0.18 -1.05 -0.18 0.00 -1.83 0.00 0.00 57.00 53.76 1x0r n GLN 204 Cb 0.58 -1.46 -0.11 0.00 -0.86 0.00 0.00 30.24 28.39 1x0r n GLN 204 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 1x0r s TYR 205 N -1.95 1.44 0.69 2.61 1.51 -1.26 -5.00 117.35 115.38 1x0r s TYR 205 Ca 0.36 -0.58 -0.13 0.00 -1.01 0.00 0.00 57.07 55.71 1x0r s TYR 205 Cb 0.20 -0.74 0.01 0.00 -0.11 0.00 0.00 41.96 41.33 1x0r s TYR 205 CO 0.32 0.17 1.08 1.03 -1.11 0.00 0.00 175.55 177.04 1x0r s ARG 206 N -2.95 2.76 -0.11 -0.62 0.52 -0.81 -4.84 118.95 112.90 1x0r s ARG 206 Ca 0.12 1.20 -0.30 0.00 -0.52 0.00 0.00 55.73 56.23 1x0r s ARG 206 Cb -0.03 -1.96 0.07 0.00 0.52 0.00 0.00 34.95 33.55 1x0r s ARG 206 CO 0.03 -1.26 0.71 0.45 0.02 0.00 0.00 175.30 175.25 1x0r s SER 207 N -3.11 -0.67 -0.05 0.23 0.15 -1.26 -1.29 113.70 107.70 1x0r s SER 207 Ca 0.63 0.88 0.09 0.00 0.70 0.00 0.00 55.95 58.25 1x0r s SER 207 Cb -0.17 0.75 -0.14 0.00 -1.71 0.00 0.00 66.02 64.75 1x0r s SER 207 CO 0.48 -0.51 0.14 -0.11 1.20 0.00 0.00 173.24 174.43 1x0r n LEU 208 N 1.33 0.00 -3.80 3.45 7.94 0.15 -4.99 117.00 121.08 1x0r n LEU 208 Ca -0.17 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.71 1x0r n LEU 208 Cb 0.57 0.10 0.00 0.00 0.53 0.00 0.00 43.42 44.62 1x0r n LEU 208 CO 0.19 0.10 0.85 -0.62 -1.11 0.00 0.00 177.39 176.80 1x0r s ASP 209 N -3.60 -0.07 0.57 1.96 -1.08 -1.20 -4.95 116.67 108.31 1x0r s ASP 209 Ca -0.04 -0.44 0.36 0.00 -0.52 0.00 0.00 52.55 51.91 1x0r s ASP 209 Cb 0.05 0.40 1.62 0.00 -1.46 0.00 0.00 42.92 43.53 1x0r s ASP 209 CO 0.40 -0.77 2.08 4.11 0.52 0.00 0.00 175.17 181.52 1x0r h TRP 210 N 2.00 0.00 -0.02 -5.34 5.08 -1.97 -0.22 115.95 115.48 1x0r h TRP 210 Ca -0.26 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.71 1x0r h TRP 210 Cb 1.22 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.38 1x0r h TRP 210 CO 0.82 0.02 -0.25 -2.67 -1.28 0.00 0.00 178.44 175.08 1x0r n TRP 211 N -3.14 0.00 -3.66 0.12 4.27 -1.26 -4.41 117.44 109.36 1x0r n TRP 211 Ca -0.00 0.00 -0.27 0.00 -3.89 0.00 0.00 57.50 53.33 1x0r n TRP 211 Cb 0.25 -0.02 -0.11 0.00 -1.36 0.00 0.00 31.31 30.07 1x0r n TRP 211 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 1x0r n PHE 212 N 0.30 1.62 -4.68 -2.67 -0.00 -0.10 -4.49 117.46 107.45 1x0r n PHE 212 Ca 0.12 -3.91 -0.33 0.00 -0.00 0.00 0.00 57.45 53.33 1x0r n PHE 212 Cb 0.47 -0.29 -0.12 0.00 -0.00 0.00 0.00 39.48 39.55 1x0r n PHE 212 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1x0r s TRP 214 N -0.81 0.19 0.00 0.00 1.48 -0.41 -0.94 118.94 118.44 1x0r s TRP 214 Ca 0.13 -0.56 0.00 0.00 -1.06 0.00 0.00 56.10 54.61 1x0r s TRP 214 Cb -0.11 0.04 0.00 0.00 -1.16 0.00 0.00 33.47 32.24 1x0r s TRP 214 CO 0.02 -0.69 0.00 -0.40 -4.06 0.00 0.00 176.95 171.82 1x0r n ASP 215 N -0.19 0.00 -3.35 -2.66 3.85 -0.47 -1.93 116.55 111.81 1x0r n ASP 215 Ca -0.11 -0.82 -0.26 0.00 -0.71 0.00 0.00 54.79 52.89 1x0r n ASP 215 Cb 0.63 0.00 -0.08 0.00 -1.35 0.00 0.00 41.12 40.32 1x0r n ASP 215 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1x0r n THR 216 N 0.00 0.38 1.30 2.12 -2.24 -1.26 -0.77 114.28 113.81 1x0r n THR 216 Ca 0.00 -4.38 0.13 0.00 -2.27 0.00 0.00 64.05 57.53 1x0r n THR 216 Cb 0.00 -1.98 0.49 0.00 -2.10 0.00 0.00 70.33 66.74 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 1.47 0.68 -2.87 -0.78 -0.04 -1.26 -4.89 135.00 127.31 1x0r n PRO 217 Ca 0.25 -0.32 -0.39 0.00 -0.04 0.00 0.00 63.50 63.00 1x0r n PRO 217 Cb 0.47 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 32.38 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 -2.54 3.36 0.51 0.55 0.00 -1.26 -5.02 121.76 117.36 1x0r s ALA 218 Ca 0.25 0.47 -0.19 0.00 0.00 0.00 0.00 51.96 52.49 1x0r s ALA 218 Cb 0.19 -3.08 -0.07 0.00 0.00 0.00 0.00 23.12 20.16 1x0r s ALA 218 CO 0.51 0.24 1.05 -1.54 0.00 0.00 0.00 175.76 176.02 1x0r s SER 219 N -1.30 6.20 0.31 0.00 1.04 -1.26 -4.86 113.70 113.84 1x0r s SER 219 Ca 0.41 1.94 0.08 0.00 0.48 0.00 0.00 55.95 58.86 1x0r s SER 219 Cb -0.23 -2.56 0.89 0.00 0.10 0.00 0.00 66.02 64.22 1x0r s SER 219 CO 0.27 -0.88 1.67 -0.09 0.98 0.00 0.00 173.24 175.19 1x0r h ARG 220 N 1.35 0.32 -0.63 4.02 2.43 -1.98 -0.49 114.38 119.40 1x0r h ARG 220 Ca -0.49 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 58.64 1x0r h ARG 220 Cb 1.22 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.67 1x0r h ARG 220 CO 0.59 0.21 0.32 -0.44 -1.51 0.00 0.00 179.97 179.14 1x0r h ASP 221 N 0.33 0.80 -0.61 -3.80 3.32 -1.98 0.13 116.42 114.61 1x0r h ASP 221 Ca 0.64 -0.11 -0.07 0.00 0.02 0.00 0.00 57.03 57.50 1x0r h ASP 221 Cb 1.35 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.67 1x0r h ASP 221 CO -0.59 0.69 0.09 0.44 -1.72 0.00 0.00 179.24 178.15 1x0r h ASP 222 N 0.86 0.98 -0.06 6.45 3.32 -1.50 -1.14 116.42 125.33 1x0r h ASP 222 Ca 0.22 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1x0r h ASP 222 Cb 0.08 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.37 1x0r h ASP 222 CO -0.03 0.99 -0.00 0.58 -1.72 0.00 0.00 179.24 179.06 1x0r h VAL 223 N 0.92 1.26 -0.10 -1.35 2.07 -0.96 -2.74 116.25 115.35 1x0r h VAL 223 Ca 0.18 -0.79 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 1x0r h VAL 223 Cb 0.44 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1x0r h VAL 223 CO 0.01 0.22 -0.16 -0.33 0.02 0.00 0.00 177.57 177.33 1x0r h GLU 224 N -0.19 0.15 -0.47 1.57 5.08 -0.66 0.48 114.58 120.53 1x0r h GLU 224 Ca 0.02 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 1x0r h GLU 224 Cb 0.34 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1x0r h GLU 224 CO 0.00 0.32 0.11 1.49 -1.00 0.00 0.00 179.01 179.94 1x0r h GLU 225 N 0.15 0.76 -0.38 2.33 4.81 -1.08 0.14 114.58 121.31 1x0r h GLU 225 Ca 0.03 -0.18 -0.13 0.00 -0.13 0.00 0.00 59.36 58.94 1x0r h GLU 225 Cb 0.38 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1x0r h GLU 225 CO 0.02 0.75 -0.29 0.00 -0.73 0.00 0.00 179.01 178.76 1x0r h ALA 226 N 0.98 0.77 0.00 2.92 0.00 -1.16 -1.29 119.26 121.48 1x0r h ALA 226 Ca 0.15 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 1x0r h ALA 226 Cb 0.33 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1x0r h ALA 226 CO 0.00 0.65 -0.37 -0.09 0.00 0.00 0.00 179.25 179.44 1x0r h ARG 227 N 0.69 0.00 -0.06 0.00 2.43 -0.65 -2.79 114.38 114.00 1x0r h ARG 227 Ca 0.08 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.15 1x0r h ARG 227 Cb 0.84 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 1x0r h ARG 227 CO 0.07 0.37 -0.40 -0.09 -1.51 0.00 0.00 179.97 178.42 1x0r h ARG 228 N 0.00 0.13 -0.58 0.20 2.43 0.43 -0.04 114.38 116.95 1x0r h ARG 228 Ca -0.00 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1x0r h ARG 228 Cb 0.95 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.46 1x0r h ARG 228 CO 0.05 0.51 0.33 1.88 -1.51 0.00 0.00 179.97 181.24 1x0r h TYR 229 N 0.11 0.78 -0.34 2.20 0.99 -1.15 -1.15 116.97 118.42 1x0r h TYR 229 Ca 0.01 -0.01 -0.12 0.00 2.00 0.00 0.00 58.73 60.61 1x0r h TYR 229 Cb 0.76 -0.25 -0.01 0.00 1.00 0.00 0.00 36.73 38.22 1x0r h TYR 229 CO 0.01 0.56 -0.26 -0.07 -0.00 0.00 0.00 178.16 178.39 1x0r h LEU 230 N 0.79 0.71 -0.67 3.88 3.38 -1.37 -0.07 115.31 121.95 1x0r h LEU 230 Ca 0.21 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1x0r h LEU 230 Cb 0.02 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1x0r h LEU 230 CO -0.04 0.94 0.30 -0.09 0.09 0.00 0.00 178.44 179.64 1x0r h ARG 231 N 0.60 0.99 -0.55 1.13 2.43 -0.90 -1.07 114.38 117.00 1x0r h ARG 231 Ca 0.08 -0.16 -0.04 0.00 -0.81 0.00 0.00 59.98 59.05 1x0r h ARG 231 Cb 0.76 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 1x0r h ARG 231 CO 0.06 0.80 0.20 -0.09 -1.51 0.00 0.00 179.97 179.44 1x0r h ARG 232 N 0.94 0.84 -0.43 0.20 2.43 -0.92 -1.01 114.38 116.44 1x0r h ARG 232 Ca 0.23 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1x0r h ARG 232 Cb 0.16 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 1x0r h ARG 232 CO -0.02 0.74 0.22 0.00 -1.51 0.00 0.00 179.97 179.40 1x0r h ALA 233 N 1.06 1.58 0.00 2.80 0.00 -0.39 -2.52 119.26 121.80 1x0r h ALA 233 Ca 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1x0r h ALA 233 Cb 0.23 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1x0r h ALA 233 CO -0.01 0.34 -0.14 0.00 0.00 0.00 0.00 179.25 179.44 1x0r n ALA 234 N -2.47 2.65 -2.68 0.00 0.00 -0.46 -4.82 120.51 112.73 1x0r n ALA 234 Ca 0.03 -0.16 -0.40 0.00 0.00 0.00 0.00 53.44 52.91 1x0r n ALA 234 Cb 0.11 -1.37 -0.05 0.00 0.00 0.00 0.00 19.45 18.13 1x0r n ALA 234 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1x0r s GLU 235 N -3.01 4.29 0.15 0.00 2.12 -0.43 -5.03 118.70 116.79 1x0r s GLU 235 Ca 0.13 0.79 -0.31 0.00 0.36 0.00 0.00 54.97 55.94 1x0r s GLU 235 Cb 0.18 -3.54 -0.09 0.00 0.26 0.00 0.00 34.13 30.94 1x0r s GLU 235 CO 0.58 -0.19 1.40 0.21 -0.54 0.00 0.00 175.26 176.73 1x0r s LYS 236 N 1.71 4.31 0.54 4.30 2.20 -1.26 -4.96 119.74 126.57 1x0r s LYS 236 Ca 0.33 2.14 -0.22 0.00 -0.36 0.00 0.00 55.97 57.86 1x0r s LYS 236 Cb -0.16 -3.21 -0.05 0.00 -1.51 0.00 0.00 37.83 32.90 1x0r s LYS 236 CO 0.13 -0.42 1.31 -0.35 -0.36 0.00 0.00 175.35 175.66 1x0r n PRO 237 N 3.49 1.65 -0.05 4.03 -0.04 -1.26 -4.91 135.00 137.91 1x0r n PRO 237 Ca 0.10 0.60 -0.15 0.00 -0.04 0.00 0.00 63.50 64.01 1x0r n PRO 237 Cb 0.42 -2.52 -0.07 0.00 -0.04 0.00 0.00 33.50 31.29 1x0r n PRO 237 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x0r h ALA 238 N 1.42 0.31 -3.71 0.55 0.00 -2.04 -3.44 119.26 112.35 1x0r h ALA 238 Ca -0.50 -0.49 -0.24 0.00 0.00 0.00 0.00 54.91 53.68 1x0r h ALA 238 Cb 1.31 -0.04 -0.29 0.00 0.00 0.00 0.00 17.79 18.77 1x0r h ALA 238 CO 0.57 0.48 -0.72 0.21 0.00 0.00 0.00 179.25 179.79 1x0r s LYS 239 N -3.94 -0.00 0.07 0.00 2.36 -1.26 -5.14 119.74 111.83 1x0r s LYS 239 Ca -0.12 0.02 -0.27 0.00 -2.55 0.00 0.00 55.97 53.05 1x0r s LYS 239 Cb 0.07 -0.03 -0.05 0.00 -1.05 0.00 0.00 37.83 36.77 1x0r s LYS 239 CO 0.85 -0.02 0.86 -0.51 1.55 0.00 0.00 175.35 178.08 1x0r s LEU 240 N 0.12 4.47 0.55 5.43 1.43 -1.26 -4.95 118.68 124.47 1x0r s LEU 240 Ca -0.01 1.61 0.23 0.00 -1.03 0.00 0.00 54.13 54.94 1x0r s LEU 240 Cb -0.01 -3.41 1.51 0.00 0.03 0.00 0.00 46.19 44.31 1x0r s LEU 240 CO -0.00 -0.04 2.15 -0.07 0.23 0.00 0.00 176.35 178.62 1x0r h LEU 241 N 5.68 0.00 -0.79 1.79 3.38 -2.00 -2.39 115.31 120.98 1x0r h LEU 241 Ca -0.43 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.48 1x0r h LEU 241 Cb 1.21 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 1x0r h LEU 241 CO 0.72 0.00 0.24 0.22 0.09 0.00 0.00 178.44 179.71 1x0r h TYR 242 N 0.00 1.18 0.50 1.13 3.20 -1.95 -2.21 116.97 118.82 1x0r h TYR 242 Ca 0.05 -0.11 -0.02 0.00 3.14 0.00 0.00 58.73 61.78 1x0r h TYR 242 Cb 0.22 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.15 1x0r h TYR 242 CO 0.00 0.92 -0.24 0.93 -1.64 0.00 0.00 178.16 178.13 1x0r h GLU 243 N 1.10 -0.64 0.00 1.82 5.08 -1.83 -2.83 114.58 117.27 1x0r h GLU 243 Ca 0.24 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1x0r h GLU 243 Cb 0.29 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1x0r h GLU 243 CO -0.01 -0.39 0.00 0.93 -1.00 0.00 0.00 179.01 178.54 1x0r h GLU 244 N -0.76 0.00 0.00 2.33 5.08 -1.52 -3.51 114.58 116.20 1x0r h GLU 244 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1x0r h GLU 244 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1x0r h GLU 244 CO 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.12