#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o1c s LYS 7 N 0.00 4.41 0.15 -0.72 2.20 0.33 -4.95 119.74 121.16 2o1c s LYS 7 Ca 0.00 1.94 -0.27 0.00 -0.36 0.00 0.00 55.97 57.28 2o1c s LYS 7 Cb 0.00 -3.26 -0.07 0.00 -1.51 0.00 0.00 37.83 32.99 2o1c s LYS 7 CO 0.00 -0.25 0.84 -0.98 -0.36 0.00 0.00 175.35 174.60 2o1c s ARG 8 N 0.42 4.64 -0.13 4.03 1.70 -1.26 -4.45 118.95 123.89 2o1c s ARG 8 Ca 0.58 1.26 0.00 0.00 -0.47 0.00 0.00 55.73 57.10 2o1c s ARG 8 Cb -0.34 -3.31 0.13 0.00 -0.57 0.00 0.00 34.95 30.86 2o1c s ARG 8 CO 0.34 0.44 1.66 -0.35 -1.08 0.00 0.00 175.30 176.31 2o1c n PRO 9 N 2.05 1.35 -4.05 3.89 -0.04 -1.26 -4.67 135.00 132.26 2o1c n PRO 9 Ca -0.03 -0.74 -0.26 0.00 -0.04 0.00 0.00 63.50 62.44 2o1c n PRO 9 Cb 0.49 -1.29 -0.17 0.00 -0.04 0.00 0.00 33.50 32.49 2o1c n PRO 9 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2o1c s VAL 10 N -0.97 0.99 0.25 0.52 1.01 -1.26 -1.02 120.40 119.92 2o1c s VAL 10 Ca 0.14 -0.30 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 2o1c s VAL 10 Cb 0.12 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 2o1c s VAL 10 CO 0.01 0.35 0.24 -0.94 0.00 0.00 0.00 175.10 174.77 2o1c s SER 11 N 1.46 0.55 0.10 3.32 1.04 0.71 -1.01 113.70 119.86 2o1c s SER 11 Ca 0.00 -1.43 0.10 0.00 0.48 0.00 0.00 55.95 55.10 2o1c s SER 11 Cb -0.13 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.43 2o1c s SER 11 CO -0.05 -0.98 -0.25 -0.51 0.98 0.00 0.00 173.24 172.43 2o1c s ILE 12 N -3.86 2.07 -0.09 -1.02 1.10 0.11 -1.38 121.20 118.13 2o1c s ILE 12 Ca 0.36 -1.60 0.01 0.00 -0.51 0.00 0.00 60.65 58.92 2o1c s ILE 12 Cb 0.04 -1.83 0.02 0.00 0.15 0.00 0.00 42.46 40.84 2o1c s ILE 12 CO 0.16 0.12 -0.12 -0.22 -2.11 0.00 0.00 174.94 172.77 2o1c s LEU 13 N -1.80 1.57 -0.31 8.50 2.96 -0.24 -2.48 118.68 126.88 2o1c s LEU 13 Ca 0.11 -0.34 0.03 0.00 -0.22 0.00 0.00 54.13 53.71 2o1c s LEU 13 Cb -0.10 -0.92 0.08 0.00 0.50 0.00 0.00 46.19 45.76 2o1c s LEU 13 CO 0.05 -0.01 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.37 2o1c s VAL 14 N 1.01 2.19 -0.53 1.68 1.01 0.78 0.29 120.40 126.83 2o1c s VAL 14 Ca -0.07 -2.05 -0.28 0.00 0.00 0.00 0.00 61.98 59.57 2o1c s VAL 14 Cb -0.15 -2.50 0.02 0.00 0.00 0.00 0.00 36.38 33.76 2o1c s VAL 14 CO -0.01 -0.39 1.25 -0.69 0.00 0.00 0.00 175.10 175.27 2o1c s VAL 15 N 1.00 4.01 -0.09 2.92 1.01 -0.44 -2.41 120.40 126.39 2o1c s VAL 15 Ca 0.03 0.95 -0.15 0.00 0.00 0.00 0.00 61.98 62.82 2o1c s VAL 15 Cb -0.19 -4.57 -0.05 0.00 0.00 0.00 0.00 36.38 31.57 2o1c s VAL 15 CO -0.07 -1.14 0.37 -0.63 0.00 0.00 0.00 175.10 173.63 2o1c s ILE 16 N 5.10 5.19 0.07 2.22 1.01 -1.26 -1.23 121.20 132.30 2o1c s ILE 16 Ca 0.49 0.73 -0.08 0.00 0.00 0.00 0.00 60.65 61.79 2o1c s ILE 16 Cb -0.09 -3.69 -0.00 0.00 0.01 0.00 0.00 42.46 38.69 2o1c s ILE 16 CO 0.28 0.45 0.18 -0.72 0.00 0.00 0.00 174.94 175.13 2o1c s TYR 17 N -0.12 0.13 -0.14 3.97 1.13 -0.67 -1.38 117.35 120.27 2o1c s TYR 17 Ca 0.21 -0.49 -0.20 0.00 -1.41 0.00 0.00 57.07 55.19 2o1c s TYR 17 Cb -0.15 -0.07 -0.04 0.00 -1.10 0.00 0.00 41.96 40.61 2o1c s TYR 17 CO 0.09 -0.48 0.56 0.00 -2.51 0.00 0.00 175.55 173.20 2o1c s ALA 18 N -3.31 3.48 0.28 9.51 0.00 -0.11 -0.62 121.76 130.99 2o1c s ALA 18 Ca 0.01 -0.19 0.26 0.00 0.00 0.00 0.00 51.96 52.04 2o1c s ALA 18 Cb 0.02 -2.81 1.22 0.00 0.00 0.00 0.00 23.12 21.56 2o1c s ALA 18 CO -0.08 -0.23 1.96 -0.56 0.00 0.00 0.00 175.76 176.85 2o1c h GLN 19 N 7.04 0.00 0.02 0.00 3.07 -0.91 0.29 115.11 124.62 2o1c h GLN 19 Ca -0.37 0.00 -0.27 0.00 0.09 0.00 0.00 58.65 58.09 2o1c h GLN 19 Cb 1.17 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.69 2o1c h GLN 19 CO 0.76 0.17 -1.49 0.38 0.09 0.00 0.00 178.83 178.73 2o1c h ASP 20 N 0.00 0.07 -0.00 0.06 2.03 -1.80 -3.37 116.42 113.41 2o1c h ASP 20 Ca -0.00 -0.12 0.00 0.00 -0.73 0.00 0.00 57.03 56.18 2o1c h ASP 20 Cb 0.53 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.01 2o1c h ASP 20 CO 0.02 1.10 -0.26 0.35 -1.03 0.00 0.00 179.24 179.42 2o1c n THR 21 N -3.21 0.00 -1.11 1.15 -2.24 -1.21 -4.99 114.28 102.68 2o1c n THR 21 Ca -0.13 -0.37 -0.06 0.00 -2.27 0.00 0.00 64.05 61.23 2o1c n THR 21 Cb 1.02 1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 70.23 2o1c n THR 21 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2o1c n LYS 22 N -1.03 -1.82 -2.10 -0.78 4.76 1.00 -4.89 118.16 113.29 2o1c n LYS 22 Ca 0.01 0.66 -0.37 0.00 -2.87 0.00 0.00 58.31 55.74 2o1c n LYS 22 Cb 0.10 -4.99 0.01 0.00 -1.84 0.00 0.00 35.03 28.30 2o1c n LYS 22 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2o1c s ARG 23 N -2.37 3.56 -0.13 1.97 0.52 -1.25 -3.72 118.95 117.53 2o1c s ARG 23 Ca 0.00 1.93 -0.04 0.00 -0.52 0.00 0.00 55.73 57.09 2o1c s ARG 23 Cb 0.00 -2.36 -0.04 0.00 0.52 0.00 0.00 34.95 33.08 2o1c s ARG 23 CO 0.00 -0.76 0.03 0.08 0.02 0.00 0.00 175.30 174.67 2o1c s VAL 24 N -1.47 4.49 -0.41 3.52 1.01 0.31 -0.93 120.40 126.93 2o1c s VAL 24 Ca 0.66 -0.16 -0.29 0.00 0.00 0.00 0.00 61.98 62.19 2o1c s VAL 24 Cb -0.32 -2.95 0.01 0.00 0.00 0.00 0.00 36.38 33.11 2o1c s VAL 24 CO 0.39 0.55 1.47 -0.22 0.00 0.00 0.00 175.10 177.29 2o1c s LEU 25 N -0.32 3.56 -0.09 3.92 2.96 -0.48 -1.51 118.68 126.72 2o1c s LEU 25 Ca 0.07 0.87 0.00 0.00 -0.22 0.00 0.00 54.13 54.86 2o1c s LEU 25 Cb -0.12 -3.51 -0.03 0.00 0.50 0.00 0.00 46.19 43.03 2o1c s LEU 25 CO 0.02 -1.50 -0.07 -0.04 -1.32 0.00 0.00 176.35 173.44 2o1c s MET 26 N 5.09 2.93 -0.09 1.98 -1.94 0.02 -4.36 119.30 122.93 2o1c s MET 26 Ca 0.64 -0.56 0.02 0.00 -1.71 0.00 0.00 55.69 54.08 2o1c s MET 26 Cb -0.15 -2.64 0.01 0.00 2.01 0.00 0.00 34.83 34.07 2o1c s MET 26 CO 0.33 0.56 -0.16 -0.51 -0.01 0.00 0.00 175.02 175.23 2o1c s LEU 27 N -0.54 1.75 -0.22 -0.03 1.43 0.12 -1.01 118.68 120.19 2o1c s LEU 27 Ca 0.08 -0.41 -0.21 0.00 -1.03 0.00 0.00 54.13 52.56 2o1c s LEU 27 Cb -0.12 -1.06 -0.02 0.00 0.03 0.00 0.00 46.19 45.02 2o1c s LEU 27 CO 0.02 0.04 0.63 -1.58 0.23 0.00 0.00 176.35 175.69 2o1c s GLN 28 N 0.80 4.17 0.53 1.70 0.74 -0.38 -0.62 119.66 126.60 2o1c s GLN 28 Ca -0.11 0.59 -0.20 0.00 0.05 0.00 0.00 55.36 55.70 2o1c s GLN 28 Cb -0.16 -3.61 -0.07 0.00 1.10 0.00 0.00 33.01 30.28 2o1c s GLN 28 CO 0.02 -0.31 1.11 1.03 -0.55 0.00 0.00 175.29 176.58 2o1c s ARG 29 N 2.16 3.48 -0.07 1.67 0.52 -0.57 0.50 118.95 126.64 2o1c s ARG 29 Ca 0.28 1.56 0.07 0.00 -0.52 0.00 0.00 55.73 57.12 2o1c s ARG 29 Cb -0.16 -2.04 -0.24 0.00 0.52 0.00 0.00 34.95 33.03 2o1c s ARG 29 CO 0.09 -0.74 0.56 0.54 0.02 0.00 0.00 175.30 175.78 2o1c n ARG 30 N -1.19 0.67 0.21 3.54 1.74 -1.26 -2.96 116.66 117.41 2o1c n ARG 30 Ca 0.11 0.28 0.10 0.00 -0.77 0.00 0.00 57.85 57.57 2o1c n ARG 30 Cb 0.51 -1.76 0.33 0.00 -1.02 0.00 0.00 32.46 30.52 2o1c n ARG 30 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 2o1c h ASP 31 N 0.02 0.00 -2.04 0.55 2.03 -1.94 -3.38 116.42 111.66 2o1c h ASP 31 Ca -0.33 0.00 -0.38 0.00 -0.73 0.00 0.00 57.03 55.59 2o1c h ASP 31 Cb 2.03 0.00 -0.32 0.00 -0.83 0.00 0.00 39.33 40.21 2o1c h ASP 31 CO 0.08 0.19 -0.69 -0.62 -1.03 0.00 0.00 179.24 177.17 2o1c s ASP 32 N -6.17 1.40 0.02 4.15 -1.08 -1.26 -5.04 116.67 108.70 2o1c s ASP 32 Ca 0.03 -1.48 0.06 0.00 -0.52 0.00 0.00 52.55 50.64 2o1c s ASP 32 Cb 0.08 0.47 0.28 0.00 -1.46 0.00 0.00 42.92 42.30 2o1c s ASP 32 CO 0.65 -0.29 1.20 -2.65 0.52 0.00 0.00 175.17 174.61 2o1c n PRO 33 N 4.42 0.01 0.11 4.34 -0.02 -1.15 -1.59 135.00 141.12 2o1c n PRO 33 Ca 0.09 0.43 0.12 0.00 -2.02 0.00 0.00 63.50 62.11 2o1c n PRO 33 Cb 0.45 -1.53 0.11 0.00 -0.02 0.00 0.00 33.50 32.50 2o1c n PRO 33 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2o1c h ASP 34 N 0.00 0.00 -3.58 2.55 3.32 -1.96 -3.44 116.42 113.31 2o1c h ASP 34 Ca 0.00 -0.06 -0.66 0.00 0.02 0.00 0.00 57.03 56.32 2o1c h ASP 34 Cb 0.09 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.48 2o1c h ASP 34 CO 0.00 0.03 0.07 0.12 -1.72 0.00 0.00 179.24 177.74 2o1c s PHE 35 N -3.26 3.08 -0.03 4.55 2.19 -0.62 -4.76 117.98 119.13 2o1c s PHE 35 Ca 0.04 -0.12 -0.00 0.00 0.33 0.00 0.00 56.93 57.18 2o1c s PHE 35 Cb 0.10 -3.27 -0.04 0.00 -1.31 0.00 0.00 43.02 38.50 2o1c s PHE 35 CO 0.73 -0.84 0.03 -1.58 1.83 0.00 0.00 175.22 175.39 2o1c s TRP 36 N 2.70 3.18 0.20 10.12 0.52 -1.26 -1.51 118.94 132.90 2o1c s TRP 36 Ca 0.21 0.17 -0.19 0.00 0.02 0.00 0.00 56.10 56.30 2o1c s TRP 36 Cb -0.15 -1.73 0.04 0.00 -1.15 0.00 0.00 33.47 30.48 2o1c s TRP 36 CO 0.18 0.50 0.57 1.14 0.02 0.00 0.00 176.95 179.37 2o1c s GLN 37 N -1.42 1.43 0.91 4.98 -2.07 0.21 -4.05 119.66 119.64 2o1c s GLN 37 Ca 0.19 -0.80 -0.15 0.00 -1.82 0.00 0.00 55.36 52.77 2o1c s GLN 37 Cb -0.12 0.55 0.22 0.00 -1.09 0.00 0.00 33.01 32.57 2o1c s GLN 37 CO 0.09 -0.62 1.00 0.43 -1.32 0.00 0.00 175.29 174.87 2o1c n SER 38 N -0.37 -0.90 -4.72 12.60 7.64 -1.26 0.14 113.62 126.75 2o1c n SER 38 Ca -0.10 -1.22 -0.42 0.00 1.01 0.00 0.00 58.87 58.13 2o1c n SER 38 Cb 0.62 -0.83 -0.03 0.00 -1.01 0.00 0.00 64.21 62.96 2o1c n SER 38 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2o1c s VAL 39 N -3.01 3.21 0.07 0.44 1.01 -1.01 -4.86 120.40 116.25 2o1c s VAL 39 Ca 0.60 0.89 0.00 0.00 0.00 0.00 0.00 61.98 63.47 2o1c s VAL 39 Cb -0.04 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 2o1c s VAL 39 CO 0.44 0.08 -0.04 0.42 0.00 0.00 0.00 175.10 176.00 2o1c s THR 40 N 0.94 0.40 0.00 3.92 -4.23 -1.26 -0.16 115.64 115.25 2o1c s THR 40 Ca 0.64 -1.86 0.00 0.00 -1.18 0.00 0.00 61.69 59.29 2o1c s THR 40 Cb -0.38 -1.60 0.00 0.00 1.34 0.00 0.00 72.50 71.86 2o1c s THR 40 CO 0.32 -0.93 0.00 0.61 -0.54 0.00 0.00 174.62 174.08 2o1c n GLY 41 N 0.04 1.28 3.81 3.99 0.00 -1.04 -4.98 105.19 108.29 2o1c n GLY 41 Ca -0.13 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 44.99 2o1c n GLY 41 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2o1c s SER 42 N 0.00 6.21 -0.34 1.61 0.01 -1.26 0.09 113.70 120.02 2o1c s SER 42 Ca 0.00 1.83 -0.23 0.00 1.31 0.00 0.00 55.95 58.87 2o1c s SER 42 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 2o1c s SER 42 CO 0.00 -0.87 0.76 -0.69 0.41 0.00 0.00 173.24 172.84 2o1c s VAL 43 N -2.24 4.79 0.84 3.43 1.01 -0.18 -4.80 120.40 123.24 2o1c s VAL 43 Ca 0.65 0.95 -0.11 0.00 0.00 0.00 0.00 61.98 63.46 2o1c s VAL 43 Cb -0.15 -4.16 0.09 0.00 0.00 0.00 0.00 36.38 32.17 2o1c s VAL 43 CO 0.27 -0.34 1.09 -1.61 0.00 0.00 0.00 175.10 174.51 2o1c s GLU 44 N 2.97 1.75 0.48 2.72 2.02 -1.26 -4.91 118.70 122.46 2o1c s GLU 44 Ca 0.30 0.82 -0.23 0.00 0.02 0.00 0.00 54.97 55.88 2o1c s GLU 44 Cb -0.14 -1.86 -0.07 0.00 0.10 0.00 0.00 34.13 32.16 2o1c s GLU 44 CO 0.15 -1.90 1.27 -1.21 0.02 0.00 0.00 175.26 173.59 2o1c s GLU 45 N -5.00 3.60 0.00 1.61 0.41 -1.26 -2.29 118.70 115.76 2o1c s GLU 45 Ca 0.62 2.04 0.00 0.00 -0.41 0.00 0.00 54.97 57.22 2o1c s GLU 45 Cb -0.17 -2.45 0.00 0.00 -1.78 0.00 0.00 34.13 29.73 2o1c s GLU 45 CO 0.56 -0.76 0.00 0.41 -0.49 0.00 0.00 175.26 174.98 2o1c n GLY 46 N 0.60 1.72 3.90 -1.39 0.00 -1.26 -4.99 105.19 103.77 2o1c n GLY 46 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 2o1c n GLY 46 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2o1c s GLU 47 N -0.08 3.52 0.36 1.61 2.12 -0.97 -5.11 118.70 120.14 2o1c s GLU 47 Ca 0.00 -0.19 0.02 0.00 0.36 0.00 0.00 54.97 55.15 2o1c s GLU 47 Cb 0.00 -3.06 -0.02 0.00 0.26 0.00 0.00 34.13 31.30 2o1c s GLU 47 CO 0.00 0.64 0.54 -0.08 -0.54 0.00 0.00 175.26 175.83 2o1c s THR 48 N -1.35 4.74 0.11 -1.70 -1.32 -1.26 -4.81 115.64 110.06 2o1c s THR 48 Ca 0.29 -0.60 -0.21 0.00 -1.21 0.00 0.00 61.69 59.95 2o1c s THR 48 Cb -0.13 -3.72 -0.10 0.00 -1.51 0.00 0.00 72.50 67.05 2o1c s THR 48 CO 0.18 -0.43 1.74 0.00 -2.21 0.00 0.00 174.62 173.91 2o1c h ALA 49 N 0.74 0.11 -0.72 11.08 0.00 -1.99 -0.37 119.26 128.11 2o1c h ALA 49 Ca -0.49 0.01 0.13 0.00 0.00 0.00 0.00 54.91 54.57 2o1c h ALA 49 Cb 1.23 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 2o1c h ALA 49 CO 0.59 -0.43 0.48 -1.35 0.00 0.00 0.00 179.25 178.55 2o1c h PRO 50 N 0.08 0.44 -0.14 0.00 0.11 -1.99 -0.97 132.00 129.53 2o1c h PRO 50 Ca 0.05 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.07 2o1c h PRO 50 Cb 0.03 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.04 2o1c h PRO 50 CO -0.05 0.29 -0.14 1.96 -0.21 0.00 0.00 178.00 179.84 2o1c h GLN 51 N 0.45 0.34 -0.71 1.05 4.20 -1.74 -2.28 115.11 116.42 2o1c h GLN 51 Ca 0.35 -0.18 0.08 0.00 0.06 0.00 0.00 58.65 58.96 2o1c h GLN 51 Cb 0.73 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.45 2o1c h GLN 51 CO -0.11 0.74 0.37 0.00 -0.67 0.00 0.00 178.83 179.15 2o1c h ALA 52 N 0.60 0.98 -0.42 3.87 0.00 -0.85 -1.78 119.26 121.66 2o1c h ALA 52 Ca 0.02 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2o1c h ALA 52 Cb 0.68 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2o1c h ALA 52 CO 0.04 -0.01 0.23 0.00 0.00 0.00 0.00 179.25 179.50 2o1c h ALA 53 N 1.41 0.53 -0.37 0.00 0.00 -1.13 -1.82 119.26 117.88 2o1c h ALA 53 Ca 0.34 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2o1c h ALA 53 Cb 0.32 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2o1c h ALA 53 CO -0.25 0.06 0.20 0.52 0.00 0.00 0.00 179.25 179.78 2o1c h MET 54 N 0.54 0.52 -0.64 0.00 2.07 -1.05 -2.63 114.93 113.74 2o1c h MET 54 Ca 0.15 -0.07 -0.01 0.00 -2.07 0.00 0.00 59.70 57.70 2o1c h MET 54 Cb 0.05 -0.10 -0.03 0.00 -1.87 0.00 0.00 31.60 29.65 2o1c h MET 54 CO -0.02 0.44 0.37 -0.09 1.07 0.00 0.00 176.91 178.68 2o1c h ARG 55 N 0.47 0.89 -0.07 1.72 2.43 -1.18 -2.36 114.38 116.27 2o1c h ARG 55 Ca 0.13 -0.09 -0.13 0.00 -0.81 0.00 0.00 59.98 59.08 2o1c h ARG 55 Cb 0.08 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 2o1c h ARG 55 CO -0.02 0.65 -0.53 0.93 -1.51 0.00 0.00 179.97 179.49 2o1c h GLU 56 N 0.88 0.20 -0.49 0.20 4.39 -1.24 0.06 114.58 118.57 2o1c h GLU 56 Ca 0.23 -0.12 -0.13 0.00 0.34 0.00 0.00 59.36 59.68 2o1c h GLU 56 Cb 0.01 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2o1c h GLU 56 CO -0.04 0.68 -0.20 0.28 -1.16 0.00 0.00 179.01 178.57 2o1c h VAL 57 N 0.15 1.27 -0.49 3.13 2.07 -1.31 -0.31 116.25 120.77 2o1c h VAL 57 Ca 0.00 -1.37 -0.00 0.00 0.82 0.00 0.00 66.70 66.15 2o1c h VAL 57 Cb 0.99 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 2o1c h VAL 57 CO 0.08 0.47 0.30 0.11 0.02 0.00 0.00 177.57 178.55 2o1c h LYS 58 N 0.87 0.66 0.06 1.57 1.57 -1.06 -2.83 116.57 117.40 2o1c h LYS 58 Ca 0.11 -0.06 -0.25 0.00 -1.87 0.00 0.00 60.65 58.59 2o1c h LYS 58 Cb 0.78 -0.14 0.02 0.00 0.08 0.00 0.00 32.23 32.98 2o1c h LYS 58 CO 0.06 0.48 -1.00 0.93 -0.57 0.00 0.00 179.45 179.35 2o1c h GLU 59 N 0.65 0.57 0.15 3.15 5.08 -0.78 -2.23 114.58 121.16 2o1c h GLU 59 Ca 0.17 -0.69 -0.33 0.00 -1.00 0.00 0.00 59.36 57.51 2o1c h GLU 59 Cb -0.01 0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 2o1c h GLU 59 CO -0.03 1.29 -1.69 0.93 -1.00 0.00 0.00 179.01 178.51 2o1c h GLU 60 N 0.15 0.31 0.00 2.33 5.08 -1.17 -3.41 114.58 117.88 2o1c h GLU 60 Ca -0.14 -0.54 0.00 0.00 -1.00 0.00 0.00 59.36 57.68 2o1c h GLU 60 Cb 1.69 0.20 0.00 0.00 0.50 0.00 0.00 28.75 31.14 2o1c h GLU 60 CO 0.19 1.20 0.00 1.33 -1.00 0.00 0.00 179.01 180.73 2o1c n VAL 61 N -3.51 0.66 -3.54 3.13 0.24 -1.08 -2.26 118.33 111.98 2o1c n VAL 61 Ca -0.22 -0.70 -0.26 0.00 -2.04 0.00 0.00 64.34 61.13 2o1c n VAL 61 Cb 1.06 0.69 0.04 0.00 -1.47 0.00 0.00 33.84 34.16 2o1c n VAL 61 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2o1c n THR 62 N -0.33 -2.05 -4.16 3.34 -1.04 -0.84 -4.17 114.28 105.03 2o1c n THR 62 Ca 0.00 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.67 2o1c n THR 62 Cb 0.30 -3.07 -0.13 0.00 -1.82 0.00 0.00 70.33 65.60 2o1c n THR 62 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2o1c s ILE 63 N -3.21 3.55 -0.42 12.58 1.01 -1.13 -4.96 121.20 128.62 2o1c s ILE 63 Ca 0.52 -0.45 -0.13 0.00 0.00 0.00 0.00 60.65 60.58 2o1c s ILE 63 Cb -0.25 -2.58 0.04 0.00 0.01 0.00 0.00 42.46 39.68 2o1c s ILE 63 CO 0.64 0.45 0.30 -0.62 0.00 0.00 0.00 174.94 175.71 2o1c s ASP 64 N 1.01 5.97 0.20 3.58 -1.08 -1.26 -2.41 116.67 122.68 2o1c s ASP 64 Ca 0.01 -1.11 -0.07 0.00 -0.52 0.00 0.00 52.55 50.86 2o1c s ASP 64 Cb -0.15 -2.11 0.13 0.00 -1.46 0.00 0.00 42.92 39.33 2o1c s ASP 64 CO 0.00 -0.50 1.64 0.58 0.52 0.00 0.00 175.17 177.42 2o1c h VAL 65 N 5.78 1.26 -0.06 1.11 2.07 -1.87 -0.96 116.25 123.58 2o1c h VAL 65 Ca -0.26 -1.23 -0.21 0.00 0.82 0.00 0.00 66.70 65.81 2o1c h VAL 65 Cb 1.11 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 2o1c h VAL 65 CO 0.76 0.43 -0.83 -0.37 0.02 0.00 0.00 177.57 177.58 2o1c h VAL 66 N 0.84 1.36 0.53 2.57 -1.51 -1.93 -2.92 116.25 115.19 2o1c h VAL 66 Ca 0.14 -2.21 -0.03 0.00 -1.23 0.00 0.00 66.70 63.37 2o1c h VAL 66 Cb 0.64 2.20 0.01 0.00 -2.13 0.00 0.00 31.29 32.00 2o1c h VAL 66 CO 0.04 0.67 -0.26 0.00 -1.23 0.00 0.00 177.57 176.80 2o1c h ALA 67 N 0.75 -0.72 -2.34 5.19 0.00 -1.91 -3.40 119.26 116.83 2o1c h ALA 67 Ca -0.06 -0.18 -0.50 0.00 0.00 0.00 0.00 54.91 54.18 2o1c h ALA 67 Cb 1.44 0.28 0.13 0.00 0.00 0.00 0.00 17.79 19.64 2o1c h ALA 67 CO 0.15 -0.86 0.30 -1.21 0.00 0.00 0.00 179.25 177.63 2o1c s GLU 68 N -5.70 1.93 -0.98 0.00 2.02 -0.39 -4.94 118.70 110.64 2o1c s GLU 68 Ca -0.16 0.94 -0.01 0.00 0.02 0.00 0.00 54.97 55.75 2o1c s GLU 68 Cb 0.03 -1.88 0.33 0.00 0.10 0.00 0.00 34.13 32.71 2o1c s GLU 68 CO 0.60 -1.81 1.89 1.04 0.02 0.00 0.00 175.26 177.00 2o1c n GLN 69 N -3.60 4.75 -2.87 1.61 3.00 -1.26 -4.73 117.38 114.28 2o1c n GLN 69 Ca 0.08 -4.36 -0.24 0.00 -0.01 0.00 0.00 57.00 52.47 2o1c n GLN 69 Cb 0.54 -2.42 0.01 0.00 0.00 0.00 0.00 30.24 28.38 2o1c n GLN 69 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2o1c s LEU 70 N -4.26 3.59 -0.21 1.08 1.43 -1.10 -5.09 118.68 114.12 2o1c s LEU 70 Ca 0.42 0.41 0.01 0.00 -1.03 0.00 0.00 54.13 53.94 2o1c s LEU 70 Cb 0.25 -3.28 0.04 0.00 0.03 0.00 0.00 46.19 43.24 2o1c s LEU 70 CO -0.20 -0.74 -0.12 -0.89 0.23 0.00 0.00 176.35 174.62 2o1c s THR 71 N -2.63 1.79 -0.27 5.49 2.01 -1.26 -4.76 115.64 116.01 2o1c s THR 71 Ca 0.49 -1.11 -0.22 0.00 0.31 0.00 0.00 61.69 61.17 2o1c s THR 71 Cb -0.10 -1.84 -0.01 0.00 0.01 0.00 0.00 72.50 70.56 2o1c s THR 71 CO 0.39 0.19 0.69 -0.22 -0.69 0.00 0.00 174.62 174.99 2o1c s LEU 72 N 1.33 4.08 -0.18 4.42 2.96 -1.26 -4.35 118.68 125.67 2o1c s LEU 72 Ca -0.02 0.71 -0.09 0.00 -0.22 0.00 0.00 54.13 54.52 2o1c s LEU 72 Cb -0.16 -2.94 -0.05 0.00 0.50 0.00 0.00 46.19 43.54 2o1c s LEU 72 CO -0.08 -0.45 0.10 -0.63 -1.32 0.00 0.00 176.35 173.97 2o1c s ILE 73 N 2.65 5.16 -0.36 6.68 1.09 -0.18 -4.97 121.20 131.28 2o1c s ILE 73 Ca 0.29 0.10 -0.25 0.00 -1.10 0.00 0.00 60.65 59.68 2o1c s ILE 73 Cb -0.15 -3.33 0.01 0.00 -1.06 0.00 0.00 42.46 37.93 2o1c s ILE 73 CO 0.09 0.47 0.90 -0.62 -0.10 0.00 0.00 174.94 175.68 2o1c s ASP 74 N 0.21 6.67 0.00 3.58 -1.08 -1.26 -0.88 116.67 123.90 2o1c s ASP 74 Ca 0.07 0.57 0.22 0.00 -0.52 0.00 0.00 52.55 52.89 2o1c s ASP 74 Cb -0.12 -2.45 1.11 0.00 -1.46 0.00 0.00 42.92 40.00 2o1c s ASP 74 CO -0.01 -0.81 1.69 0.00 0.52 0.00 0.00 175.17 176.56 2o1c n GLN 76 N -1.26 -5.81 -4.30 0.00 6.02 -1.26 -4.99 117.38 105.78 2o1c n GLN 76 Ca 0.11 0.63 -0.21 0.00 -0.01 0.00 0.00 57.00 57.52 2o1c n GLN 76 Cb 0.16 -5.51 -0.16 0.00 1.02 0.00 0.00 30.24 25.74 2o1c n GLN 76 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2o1c s ARG 77 N -6.50 1.08 -0.08 -1.09 1.81 -1.26 -5.05 118.95 107.86 2o1c s ARG 77 Ca 0.58 -0.20 0.02 0.00 -1.72 0.00 0.00 55.73 54.41 2o1c s ARG 77 Cb -0.29 -0.99 0.01 0.00 -0.45 0.00 0.00 34.95 33.24 2o1c s ARG 77 CO 0.81 -0.04 -0.12 0.99 -0.68 0.00 0.00 175.30 176.26 2o1c s THR 78 N 0.80 1.16 0.31 0.02 2.01 -1.26 -0.79 115.64 117.89 2o1c s THR 78 Ca -0.12 -0.47 0.08 0.00 0.31 0.00 0.00 61.69 61.48 2o1c s THR 78 Cb -0.15 -1.07 -0.06 0.00 0.01 0.00 0.00 72.50 71.23 2o1c s THR 78 CO 0.01 0.37 -0.08 0.68 -0.69 0.00 0.00 174.62 174.91 2o1c s VAL 79 N 0.82 1.91 -0.03 3.82 -7.23 -0.15 -4.97 120.40 114.57 2o1c s VAL 79 Ca -0.12 -2.16 0.04 0.00 -1.81 0.00 0.00 61.98 57.94 2o1c s VAL 79 Cb -0.15 -2.54 -0.01 0.00 0.56 0.00 0.00 36.38 34.24 2o1c s VAL 79 CO 0.02 -0.25 -0.16 -0.70 -0.31 0.00 0.00 175.10 173.70 2o1c s GLU 80 N -3.67 1.51 0.05 4.82 2.12 -1.26 -0.64 118.70 121.63 2o1c s GLU 80 Ca 0.31 -0.56 -0.04 0.00 0.36 0.00 0.00 54.97 55.04 2o1c s GLU 80 Cb 0.03 -1.37 -0.02 0.00 0.26 0.00 0.00 34.13 33.03 2o1c s GLU 80 CO 0.14 0.26 0.06 -0.59 -0.54 0.00 0.00 175.26 174.59 2o1c s PHE 81 N -0.07 0.29 -0.01 5.30 -0.12 -0.33 -4.98 117.98 118.06 2o1c s PHE 81 Ca -0.00 -0.68 -0.30 0.00 -0.05 0.00 0.00 56.93 55.90 2o1c s PHE 81 Cb -0.09 -0.20 -0.06 0.00 -0.63 0.00 0.00 43.02 42.04 2o1c s PHE 81 CO 0.01 -0.38 1.47 -2.00 -0.05 0.00 0.00 175.22 174.27 2o1c s GLU 82 N -3.05 4.25 0.23 1.99 2.56 -1.26 -0.92 118.70 122.49 2o1c s GLU 82 Ca -0.01 2.03 -0.32 0.00 0.00 0.00 0.00 54.97 56.67 2o1c s GLU 82 Cb 0.01 -3.65 -0.12 0.00 2.00 0.00 0.00 34.13 32.37 2o1c s GLU 82 CO -0.07 -0.65 1.62 -0.89 -0.56 0.00 0.00 175.26 174.71 2o1c n ILE 83 N 4.85 0.42 -1.64 -3.70 5.41 -0.17 -4.89 119.36 119.63 2o1c n ILE 83 Ca 0.14 -0.10 -0.47 0.00 1.00 0.00 0.00 62.75 63.32 2o1c n ILE 83 Cb 0.43 -1.82 -0.04 0.00 -0.71 0.00 0.00 39.64 37.51 2o1c n ILE 83 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 2o1c n PHE 84 N 3.06 1.97 -0.32 1.39 3.72 -1.26 -4.84 117.46 121.17 2o1c n PHE 84 Ca 0.13 0.46 0.17 0.00 -0.05 0.00 0.00 57.45 58.16 2o1c n PHE 84 Cb 0.34 -2.44 0.37 0.00 -0.94 0.00 0.00 39.48 36.81 2o1c n PHE 84 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2o1c h SER 85 N 4.57 0.32 0.73 4.37 0.02 -1.98 0.46 113.55 122.03 2o1c h SER 85 Ca -0.45 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2o1c h SER 85 Cb 1.29 0.17 0.00 0.00 0.14 0.00 0.00 62.40 64.00 2o1c h SER 85 CO 0.79 -0.09 -0.10 0.00 -1.14 0.00 0.00 176.83 176.29 2o1c n HIS 86 N -5.09 0.00 0.65 3.45 1.44 -1.26 -3.42 115.22 110.99 2o1c n HIS 86 Ca 0.26 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 56.04 2o1c n HIS 86 Cb 0.79 -0.37 0.01 0.00 0.12 0.00 0.00 29.99 30.54 2o1c n HIS 86 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2o1c n LEU 87 N -1.37 1.64 -0.08 2.39 4.77 0.12 -4.69 117.00 119.78 2o1c n LEU 87 Ca 0.09 -0.80 -0.03 0.00 -0.03 0.00 0.00 56.01 55.25 2o1c n LEU 87 Cb 0.31 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.60 2o1c n LEU 87 CO 0.27 0.31 0.90 -0.09 -1.33 0.00 0.00 177.39 177.45 2o1c h ARG 88 N 1.83 0.72 -0.76 3.23 2.43 -1.49 -3.15 114.38 117.19 2o1c h ARG 88 Ca 0.00 -0.18 0.22 0.00 -0.81 0.00 0.00 59.98 59.21 2o1c h ARG 88 Cb 0.52 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 2o1c h ARG 88 CO 0.00 0.73 0.84 1.12 -1.51 0.00 0.00 179.97 181.15 2o1c h HIS 89 N 0.68 0.00 0.00 2.20 2.07 -1.83 0.13 115.15 118.39 2o1c h HIS 89 Ca 0.14 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.66 2o1c h HIS 89 Cb 0.41 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.39 2o1c h HIS 89 CO 0.02 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.88 2o1c h ARG 90 N 0.00 0.00 -6.26 5.12 3.08 -1.93 -3.45 114.38 110.94 2o1c h ARG 90 Ca 0.36 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.94 2o1c h ARG 90 Cb 2.04 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 32.07 2o1c h ARG 90 CO -0.00 0.00 -0.38 0.71 -1.07 0.00 0.00 179.97 179.23 2o1c s TYR 91 N -3.43 2.90 0.48 3.04 1.51 0.45 -0.51 117.35 121.79 2o1c s TYR 91 Ca 0.04 -0.34 -0.24 0.00 -1.01 0.00 0.00 57.07 55.52 2o1c s TYR 91 Cb 0.09 -2.02 -0.07 0.00 -0.11 0.00 0.00 41.96 39.85 2o1c s TYR 91 CO 0.50 -0.02 1.34 0.00 -1.11 0.00 0.00 175.55 176.26 2o1c s ALA 92 N -2.32 3.06 0.14 3.71 0.00 -1.26 -4.88 121.76 120.21 2o1c s ALA 92 Ca 0.46 1.30 -0.34 0.00 0.00 0.00 0.00 51.96 53.38 2o1c s ALA 92 Cb -0.07 -3.54 -0.15 0.00 0.00 0.00 0.00 23.12 19.36 2o1c s ALA 92 CO 0.29 -1.12 1.35 -2.30 0.00 0.00 0.00 175.76 173.98 2o1c n PRO 93 N -0.47 1.46 0.00 0.00 -0.02 -1.26 -1.23 135.00 133.48 2o1c n PRO 93 Ca 0.07 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 2o1c n PRO 93 Cb 0.44 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 2o1c n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2o1c n GLY 94 N 2.53 3.22 3.66 -1.23 0.00 -1.26 -5.05 105.19 107.06 2o1c n GLY 94 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2o1c n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2o1c s VAL 95 N -2.95 4.77 0.00 1.61 1.01 -0.37 -4.88 120.40 119.59 2o1c s VAL 95 Ca 0.00 1.87 0.00 0.00 0.00 0.00 0.00 61.98 63.85 2o1c s VAL 95 Cb 0.00 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 32.14 2o1c s VAL 95 CO 0.00 -0.09 0.00 1.07 0.00 0.00 0.00 175.10 176.08 2o1c n THR 96 N 5.06 0.00 -4.67 3.92 5.66 -1.26 -4.82 114.28 118.16 2o1c n THR 96 Ca 0.09 -0.18 -0.23 0.00 -3.05 0.00 0.00 64.05 60.67 2o1c n THR 96 Cb 0.47 0.92 -0.15 0.00 -1.55 0.00 0.00 70.33 70.02 2o1c n THR 96 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 2o1c s ARG 97 N -0.45 1.24 -0.04 1.09 0.52 -1.26 -1.00 118.95 119.05 2o1c s ARG 97 Ca 0.00 -0.64 0.06 0.00 -0.52 0.00 0.00 55.73 54.63 2o1c s ARG 97 Cb 0.00 -1.23 -0.02 0.00 0.52 0.00 0.00 34.95 34.23 2o1c s ARG 97 CO 0.00 0.33 -0.21 1.21 0.02 0.00 0.00 175.30 176.64 2o1c s ASN 98 N -0.59 3.41 -0.22 0.23 2.47 -0.10 -4.82 114.94 115.32 2o1c s ASN 98 Ca 0.06 -0.39 -0.07 0.00 0.42 0.00 0.00 52.86 52.87 2o1c s ASN 98 Cb -0.07 -0.69 -0.03 0.00 -1.45 0.00 0.00 41.25 39.01 2o1c s ASN 98 CO -0.00 0.30 0.07 -0.89 -3.72 0.00 0.00 177.10 172.86 2o1c s THR 99 N -0.48 4.54 -0.06 -5.21 2.01 -0.19 -1.19 115.64 115.06 2o1c s THR 99 Ca 0.06 -0.11 0.05 0.00 0.31 0.00 0.00 61.69 62.00 2o1c s THR 99 Cb -0.11 -3.09 -0.00 0.00 0.01 0.00 0.00 72.50 69.30 2o1c s THR 99 CO 0.01 0.39 -0.21 -0.70 -0.69 0.00 0.00 174.62 173.42 2o1c s GLU 100 N 1.06 2.33 -0.10 4.92 2.12 0.19 -0.21 118.70 129.02 2o1c s GLU 100 Ca 0.04 -0.76 -0.00 0.00 0.36 0.00 0.00 54.97 54.61 2o1c s GLU 100 Cb -0.14 -1.93 -0.03 0.00 0.26 0.00 0.00 34.13 32.30 2o1c s GLU 100 CO 0.03 0.26 -0.08 -1.12 -0.54 0.00 0.00 175.26 173.81 2o1c s SER 101 N 0.09 4.49 -0.09 -1.70 0.01 -0.48 -0.98 113.70 115.04 2o1c s SER 101 Ca -0.08 -0.13 -0.09 0.00 1.31 0.00 0.00 55.95 56.96 2o1c s SER 101 Cb -0.14 -1.36 -0.04 0.00 0.21 0.00 0.00 66.02 64.68 2o1c s SER 101 CO 0.04 0.28 0.22 0.26 0.41 0.00 0.00 173.24 174.45 2o1c s TRP 102 N -0.30 3.63 0.08 2.43 0.51 0.03 -1.07 118.94 124.25 2o1c s TRP 102 Ca 0.04 0.66 0.01 0.00 -2.12 0.00 0.00 56.10 54.69 2o1c s TRP 102 Cb -0.13 -2.04 -0.04 0.00 -0.81 0.00 0.00 33.47 30.46 2o1c s TRP 102 CO 0.02 0.71 -0.06 -0.06 -0.51 0.00 0.00 176.95 177.05 2o1c s PHE 103 N -1.03 0.77 0.04 -1.98 0.40 0.14 -1.65 117.98 114.68 2o1c s PHE 103 Ca 0.17 -0.81 0.05 0.00 -0.60 0.00 0.00 56.93 55.74 2o1c s PHE 103 Cb -0.13 -0.46 -0.02 0.00 0.51 0.00 0.00 43.02 42.91 2o1c s PHE 103 CO 0.07 -0.16 -0.15 0.00 0.70 0.00 0.00 175.22 175.67 2o1c s LEU 105 N -1.14 0.07 -0.24 0.00 0.20 -0.37 -1.01 118.68 116.19 2o1c s LEU 105 Ca 0.03 -0.07 -0.11 0.00 0.69 0.00 0.00 54.13 54.67 2o1c s LEU 105 Cb -0.08 0.08 -0.05 0.00 -0.43 0.00 0.00 46.19 45.71 2o1c s LEU 105 CO 0.01 -0.29 0.18 0.00 -0.29 0.00 0.00 176.35 175.97 2o1c s ALA 106 N 2.23 3.60 0.06 5.97 0.00 -1.26 -1.67 121.76 130.70 2o1c s ALA 106 Ca 0.04 -0.87 -0.02 0.00 0.00 0.00 0.00 51.96 51.12 2o1c s ALA 106 Cb -0.14 -2.36 -0.04 0.00 0.00 0.00 0.00 23.12 20.58 2o1c s ALA 106 CO -0.07 -0.23 0.24 -0.51 0.00 0.00 0.00 175.76 175.20 2o1c s LEU 107 N 1.12 4.34 0.20 0.00 1.43 0.21 -4.74 118.68 121.25 2o1c s LEU 107 Ca 0.09 0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 53.44 2o1c s LEU 107 Cb -0.14 -2.97 0.21 0.00 0.03 0.00 0.00 46.19 43.33 2o1c s LEU 107 CO 0.05 0.16 1.78 -0.65 0.23 0.00 0.00 176.35 177.92 2o1c h PRO 108 N 3.18 0.49 -4.41 1.29 0.11 -1.96 0.11 132.00 130.81 2o1c h PRO 108 Ca -0.46 -0.03 -0.31 0.00 0.11 0.00 0.00 66.00 65.31 2o1c h PRO 108 Cb 1.17 -0.11 -0.11 0.00 0.11 0.00 0.00 31.00 32.05 2o1c h PRO 108 CO 0.74 0.33 -0.36 -1.01 -0.21 0.00 0.00 178.00 177.48 2o1c s HIS 109 N -6.11 1.23 0.50 0.65 3.76 -1.26 -3.67 115.29 110.39 2o1c s HIS 109 Ca -0.13 -1.37 -0.21 0.00 -0.15 0.00 0.00 55.06 53.21 2o1c s HIS 109 Cb 0.15 -0.35 -0.07 0.00 1.11 0.00 0.00 32.58 33.43 2o1c s HIS 109 CO 0.74 -0.94 1.11 -1.21 -0.85 0.00 0.00 174.74 173.59 2o1c s GLU 110 N -3.49 3.59 0.13 1.40 2.02 -1.26 -4.79 118.70 116.30 2o1c s GLU 110 Ca 0.35 1.59 -0.08 0.00 0.02 0.00 0.00 54.97 56.85 2o1c s GLU 110 Cb 0.02 -2.15 -0.01 0.00 0.10 0.00 0.00 34.13 32.09 2o1c s GLU 110 CO 0.20 -0.65 0.21 -0.98 0.02 0.00 0.00 175.26 174.06 2o1c s ARG 111 N -3.09 1.00 0.28 1.61 1.70 -1.26 -5.13 118.95 114.05 2o1c s ARG 111 Ca 0.69 -1.13 -0.30 0.00 -0.47 0.00 0.00 55.73 54.51 2o1c s ARG 111 Cb -0.23 0.34 -0.11 0.00 -0.57 0.00 0.00 34.95 34.38 2o1c s ARG 111 CO 0.27 -0.34 1.51 1.14 -1.08 0.00 0.00 175.30 176.81 2o1c s GLN 112 N -3.94 4.19 -0.15 3.89 -2.07 -1.26 -5.01 119.66 115.32 2o1c s GLN 112 Ca 0.13 2.44 -0.01 0.00 -1.82 0.00 0.00 55.36 56.10 2o1c s GLN 112 Cb 0.05 -3.06 -0.01 0.00 -1.09 0.00 0.00 33.01 28.89 2o1c s GLN 112 CO -0.04 -0.52 -0.11 0.42 -1.32 0.00 0.00 175.29 173.72 2o1c s ILE 113 N -0.07 3.13 -0.64 3.63 -1.09 -1.26 -5.06 121.20 119.84 2o1c s ILE 113 Ca 0.61 -0.62 -0.21 0.00 -2.23 0.00 0.00 60.65 58.20 2o1c s ILE 113 Cb -0.45 -2.34 0.09 0.00 -1.58 0.00 0.00 42.46 38.19 2o1c s ILE 113 CO 0.46 0.51 0.85 -0.69 -1.23 0.00 0.00 174.94 174.84 2o1c s VAL 114 N 0.56 4.60 -0.10 2.92 1.01 -1.26 -5.01 120.40 123.12 2o1c s VAL 114 Ca -0.07 -0.76 -0.07 0.00 0.00 0.00 0.00 61.98 61.08 2o1c s VAL 114 Cb -0.15 -4.60 -0.04 0.00 0.00 0.00 0.00 36.38 31.59 2o1c s VAL 114 CO 0.03 -1.30 0.16 0.72 0.00 0.00 0.00 175.10 174.71 2o1c s PHE 115 N 3.29 3.60 -0.13 5.22 -0.71 -1.26 -3.47 117.98 124.53 2o1c s PHE 115 Ca 0.18 0.54 0.08 0.00 -1.04 0.00 0.00 56.93 56.68 2o1c s PHE 115 Cb -0.20 -1.95 -0.13 0.00 -1.21 0.00 0.00 43.02 39.53 2o1c s PHE 115 CO 0.07 0.72 -0.01 0.25 -1.34 0.00 0.00 175.22 174.91 2o1c n THR 116 N 1.86 0.84 0.04 -4.49 -2.24 -0.96 -4.75 114.28 104.58 2o1c n THR 116 Ca -0.19 -0.46 0.02 0.00 -2.27 0.00 0.00 64.05 61.16 2o1c n THR 116 Cb 0.55 -0.79 -0.04 0.00 -2.10 0.00 0.00 70.33 67.95 2o1c n THR 116 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2o1c n GLU 117 N -2.59 1.17 -3.05 -0.78 1.02 -1.26 -5.04 120.64 110.10 2o1c n GLU 117 Ca -0.22 -0.04 -0.19 0.00 -0.02 0.00 0.00 57.16 56.69 2o1c n GLU 117 Cb 0.86 -1.04 0.01 0.00 -0.02 0.00 0.00 31.44 31.26 2o1c n GLU 117 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2o1c s HIS 118 N -2.16 2.96 0.02 -0.32 3.76 -1.26 -4.51 115.29 113.77 2o1c s HIS 118 Ca -0.01 -0.18 0.01 0.00 -0.15 0.00 0.00 55.06 54.73 2o1c s HIS 118 Cb 0.03 -2.35 -0.26 0.00 1.11 0.00 0.00 32.58 31.12 2o1c s HIS 118 CO 0.20 -0.40 0.91 1.25 -0.85 0.00 0.00 174.74 175.86 2o1c h LEU 119 N 0.55 0.26 -7.82 0.89 5.85 -0.21 -3.47 115.31 111.37 2o1c h LEU 119 Ca -0.43 -0.36 0.08 0.00 0.84 0.00 0.00 57.88 58.01 2o1c h LEU 119 Cb 1.27 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.15 2o1c h LEU 119 CO 0.50 1.30 0.27 0.00 -0.34 0.00 0.00 178.44 180.18 2o1c s ALA 120 N -2.63 -1.34 0.13 1.25 0.00 -1.24 -4.99 121.76 112.94 2o1c s ALA 120 Ca -0.06 -0.13 0.02 0.00 0.00 0.00 0.00 51.96 51.79 2o1c s ALA 120 Cb 0.08 0.81 -0.04 0.00 0.00 0.00 0.00 23.12 23.97 2o1c s ALA 120 CO 0.84 -1.00 -0.04 1.52 0.00 0.00 0.00 175.76 177.08 2o1c s TYR 121 N -3.79 1.03 -0.22 0.00 1.13 -1.26 -1.24 117.35 113.00 2o1c s TYR 121 Ca 0.10 -0.96 -0.14 0.00 -1.41 0.00 0.00 57.07 54.66 2o1c s TYR 121 Cb -0.05 -0.59 0.07 0.00 -1.10 0.00 0.00 41.96 40.29 2o1c s TYR 121 CO 0.04 -0.17 0.55 0.21 -2.51 0.00 0.00 175.55 173.66 2o1c s LYS 122 N -3.87 0.57 -0.28 -3.49 2.20 -0.18 -5.01 119.74 109.68 2o1c s LYS 122 Ca 0.17 0.97 -0.21 0.00 -0.36 0.00 0.00 55.97 56.54 2o1c s LYS 122 Cb 0.05 0.10 -0.01 0.00 -1.51 0.00 0.00 37.83 36.47 2o1c s LYS 122 CO -0.01 -0.14 0.69 -1.58 -0.36 0.00 0.00 175.35 173.95 2o1c s TRP 123 N 1.32 3.24 0.01 4.03 0.52 -1.26 -0.80 118.94 126.00 2o1c s TRP 123 Ca -0.08 0.77 0.07 0.00 0.02 0.00 0.00 56.10 56.88 2o1c s TRP 123 Cb -0.06 -3.00 -0.02 0.00 -1.15 0.00 0.00 33.47 29.24 2o1c s TRP 123 CO -0.13 -0.44 -0.22 -0.51 0.02 0.00 0.00 176.95 175.67 2o1c s LEU 124 N 2.68 2.10 0.31 2.99 1.43 -0.57 -4.89 118.68 122.73 2o1c s LEU 124 Ca 0.28 -0.45 -0.29 0.00 -1.03 0.00 0.00 54.13 52.64 2o1c s LEU 124 Cb -0.15 -1.07 -0.13 0.00 0.03 0.00 0.00 46.19 44.87 2o1c s LEU 124 CO 0.10 0.22 1.32 0.47 0.23 0.00 0.00 176.35 178.70 2o1c n ASP 125 N 2.23 2.74 -0.25 2.29 8.00 -1.26 0.11 116.55 130.41 2o1c n ASP 125 Ca -0.16 1.19 0.04 0.00 0.71 0.00 0.00 54.79 56.57 2o1c n ASP 125 Cb 0.53 -1.47 0.15 0.00 -0.02 0.00 0.00 41.12 40.31 2o1c n ASP 125 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2o1c h ALA 126 N 3.01 0.75 -0.59 2.24 0.00 -1.90 0.61 119.26 123.38 2o1c h ALA 126 Ca -0.46 0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.76 2o1c h ALA 126 Cb 1.28 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 19.42 2o1c h ALA 126 CO 0.66 -0.42 0.28 -1.35 0.00 0.00 0.00 179.25 178.42 2o1c h PRO 127 N 0.10 0.50 -0.37 0.00 0.11 -1.92 -0.08 132.00 130.33 2o1c h PRO 127 Ca 0.40 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.36 2o1c h PRO 127 Cb 0.69 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 2o1c h PRO 127 CO -0.65 0.33 -0.26 0.00 -0.21 0.00 0.00 178.00 177.21 2o1c h ALA 128 N 1.36 0.84 -0.39 -0.75 0.00 -1.44 -2.44 119.26 116.44 2o1c h ALA 128 Ca 0.28 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2o1c h ALA 128 Cb 0.26 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2o1c h ALA 128 CO -0.23 0.64 0.22 0.00 0.00 0.00 0.00 179.25 179.88 2o1c h ALA 129 N 1.05 0.49 -0.85 0.00 0.00 -0.64 -1.78 119.26 117.53 2o1c h ALA 129 Ca 0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2o1c h ALA 129 Cb 0.78 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 2o1c h ALA 129 CO 0.06 0.01 0.43 0.00 0.00 0.00 0.00 179.25 179.75 2o1c h ALA 130 N 1.08 1.09 -0.20 0.00 0.00 -0.93 -2.79 119.26 117.51 2o1c h ALA 130 Ca 0.14 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 2o1c h ALA 130 Cb 0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2o1c h ALA 130 CO -0.02 0.63 -0.30 0.00 0.00 0.00 0.00 179.25 179.55 2o1c h ALA 131 N 1.23 1.11 -0.03 0.00 0.00 -1.28 -3.33 119.26 116.96 2o1c h ALA 131 Ca 0.29 -0.36 -0.24 0.00 0.00 0.00 0.00 54.91 54.60 2o1c h ALA 131 Cb 0.08 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 17.78 2o1c h ALA 131 CO -0.04 0.56 -0.92 1.25 0.00 0.00 0.00 179.25 180.10 2o1c h LEU 132 N 0.35 0.87 -9.68 0.00 6.46 -1.06 -3.46 115.31 108.79 2o1c h LEU 132 Ca 0.05 -0.72 -0.52 0.00 -0.12 0.00 0.00 57.88 56.57 2o1c h LEU 132 Cb 0.71 -0.26 0.06 0.00 -0.73 0.00 0.00 40.66 40.43 2o1c h LEU 132 CO 0.05 1.46 0.90 0.28 -0.62 0.00 0.00 178.44 180.52 2o1c s THR 133 N -3.40 2.36 0.30 1.05 -1.32 -1.14 -4.70 115.64 108.78 2o1c s THR 133 Ca -0.10 0.27 0.37 0.00 -1.21 0.00 0.00 61.69 61.02 2o1c s THR 133 Cb 0.07 -3.18 0.41 0.00 -1.51 0.00 0.00 72.50 68.29 2o1c s THR 133 CO 0.90 0.03 2.12 0.11 -2.21 0.00 0.00 174.62 175.57 2o1c h LYS 134 N 6.15 0.00 -5.67 7.08 1.57 -1.86 -3.43 116.57 120.42 2o1c h LYS 134 Ca -0.44 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 57.74 2o1c h LYS 134 Cb 1.21 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.42 2o1c h LYS 134 CO 0.88 0.00 0.33 0.45 -0.57 0.00 0.00 179.45 180.55 2o1c s SER 135 N -5.52 6.70 0.26 0.86 0.15 -1.26 -4.95 113.70 109.95 2o1c s SER 135 Ca -0.01 0.85 -0.01 0.00 0.70 0.00 0.00 55.95 57.48 2o1c s SER 135 Cb 0.10 -2.39 0.35 0.00 -1.71 0.00 0.00 66.02 62.37 2o1c s SER 135 CO 0.50 -0.47 1.73 4.11 1.20 0.00 0.00 173.24 180.31 2o1c h TRP 136 N 7.82 0.75 -0.51 3.44 5.08 -1.98 -1.52 115.95 129.03 2o1c h TRP 136 Ca -0.25 -0.13 -0.09 0.00 1.08 0.00 0.00 58.89 59.51 2o1c h TRP 136 Cb 1.11 -0.20 -0.02 0.00 -3.00 0.00 0.00 29.16 27.05 2o1c h TRP 136 CO 0.76 0.77 -0.02 0.66 -1.28 0.00 0.00 178.44 179.32 2o1c h SER 137 N 0.63 0.86 -0.50 0.11 4.64 -1.97 0.19 113.55 117.50 2o1c h SER 137 Ca 0.11 -0.23 -0.06 0.00 -0.47 0.00 0.00 61.79 61.14 2o1c h SER 137 Cb 0.55 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 2o1c h SER 137 CO 0.03 0.93 0.08 -1.13 -0.87 0.00 0.00 176.83 175.87 2o1c h ASN 138 N 0.81 0.80 0.15 4.97 -0.00 -1.91 -0.48 115.58 119.93 2o1c h ASN 138 Ca 0.15 -0.26 -0.01 0.00 -0.00 0.00 0.00 56.30 56.18 2o1c h ASN 138 Cb 0.52 -0.21 0.00 0.00 -0.00 0.00 0.00 38.32 38.62 2o1c h ASN 138 CO 0.03 0.87 -0.07 -0.09 -0.00 0.00 0.00 177.43 178.16 2o1c h ARG 139 N 0.71 -0.19 -0.84 6.67 2.43 -0.94 -2.45 114.38 119.77 2o1c h ARG 139 Ca 0.15 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.36 2o1c h ARG 139 Cb 0.41 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.95 2o1c h ARG 139 CO 0.01 -0.05 0.55 1.96 -1.51 0.00 0.00 179.97 180.92 2o1c h GLN 140 N -0.29 1.04 -0.70 0.20 4.20 -0.56 -1.59 115.11 117.41 2o1c h GLN 140 Ca -0.02 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.57 2o1c h GLN 140 Cb 0.23 -0.24 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 2o1c h GLN 140 CO 0.03 0.69 0.22 0.00 -0.67 0.00 0.00 178.83 179.10 2o1c h ALA 141 N 1.34 1.06 -0.11 3.87 0.00 -1.03 -0.34 119.26 124.05 2o1c h ALA 141 Ca 0.33 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2o1c h ALA 141 Cb -0.02 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 2o1c h ALA 141 CO -0.10 0.64 0.03 0.82 0.00 0.00 0.00 179.25 180.63 2o1c h ILE 142 N 1.04 1.19 -0.40 0.00 2.04 -1.10 -0.26 117.51 120.00 2o1c h ILE 142 Ca 0.23 -0.58 0.02 0.00 1.00 0.00 0.00 64.86 65.53 2o1c h ILE 142 Cb 0.29 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 2o1c h ILE 142 CO -0.01 0.17 0.24 -0.33 0.00 0.00 0.00 178.15 178.22 2o1c h GLU 143 N -0.01 0.47 0.03 2.37 5.08 -1.11 -0.36 114.58 121.04 2o1c h GLU 143 Ca 0.04 -0.03 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 2o1c h GLU 143 Cb 0.24 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2o1c h GLU 143 CO -0.00 0.31 -0.99 1.96 -1.00 0.00 0.00 179.01 179.29 2o1c h GLN 144 N 0.48 0.10 -0.00 2.33 4.20 -1.05 -3.27 115.11 117.91 2o1c h GLN 144 Ca 0.16 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2o1c h GLN 144 Cb 0.00 0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.83 2o1c h GLN 144 CO -0.07 1.00 -0.21 1.19 -0.67 0.00 0.00 178.83 180.07 2o1c n PHE 145 N -3.49 0.00 0.03 2.96 3.72 -0.11 -4.82 117.46 115.74 2o1c n PHE 145 Ca -0.03 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.37 2o1c n PHE 145 Cb 0.90 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.44 2o1c n PHE 145 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2o1c n VAL 146 N -0.84 0.95 0.74 -4.37 0.31 -0.25 -5.03 118.33 109.85 2o1c n VAL 146 Ca 0.02 0.29 0.06 0.00 -0.01 0.00 0.00 64.34 64.70 2o1c n VAL 146 Cb 0.10 -1.60 0.35 0.00 -0.91 0.00 0.00 33.84 31.78 2o1c n VAL 146 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13