#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o1c s ASP 3 N 0.00 4.31 0.13 4.39 1.01 -1.26 -4.89 116.67 120.36 2o1c s ASP 3 Ca 0.00 2.55 -0.35 0.00 0.71 0.00 0.00 52.55 55.46 2o1c s ASP 3 Cb 0.00 -2.61 -0.15 0.00 1.01 0.00 0.00 42.92 41.17 2o1c s ASP 3 CO 0.00 -2.20 1.41 0.29 0.21 0.00 0.00 175.17 174.88 2o1c n LYS 4 N -2.31 1.56 -1.30 8.23 5.02 -1.26 -4.91 118.16 123.19 2o1c n LYS 4 Ca 0.15 0.56 -0.33 0.00 -2.02 0.00 0.00 58.31 56.67 2o1c n LYS 4 Cb 0.49 -2.24 0.10 0.00 -0.02 0.00 0.00 35.03 33.36 2o1c n LYS 4 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2o1c s VAL 5 N 0.54 2.54 0.51 -0.18 -7.23 -1.26 -4.94 120.40 110.38 2o1c s VAL 5 Ca 0.81 0.23 -0.23 0.00 -1.81 0.00 0.00 61.98 60.97 2o1c s VAL 5 Cb -0.83 -2.66 -0.06 0.00 0.56 0.00 0.00 36.38 33.39 2o1c s VAL 5 CO 0.44 -0.17 1.37 -0.31 -0.31 0.00 0.00 175.10 176.12 2o1c s TYR 6 N -2.31 2.38 0.54 2.82 2.02 -1.26 -4.99 117.35 116.55 2o1c s TYR 6 Ca 0.70 1.34 -0.21 0.00 -0.37 0.00 0.00 57.07 58.54 2o1c s TYR 6 Cb -0.25 -3.82 -0.05 0.00 -0.40 0.00 0.00 41.96 37.44 2o1c s TYR 6 CO 0.49 -2.83 1.20 0.15 -1.57 0.00 0.00 175.55 172.99 2o1c s LYS 7 N -2.73 3.31 -0.03 -0.62 1.02 0.71 -4.96 119.74 116.43 2o1c s LYS 7 Ca 0.67 1.83 -0.17 0.00 0.02 0.00 0.00 55.97 58.33 2o1c s LYS 7 Cb -0.41 -2.14 -0.05 0.00 -0.52 0.00 0.00 37.83 34.71 2o1c s LYS 7 CO 0.50 -0.93 0.45 1.03 -0.92 0.00 0.00 175.35 175.48 2o1c s ARG 8 N -3.06 4.12 0.00 1.68 0.52 -1.26 -4.43 118.95 116.51 2o1c s ARG 8 Ca 0.71 0.47 0.00 0.00 -0.52 0.00 0.00 55.73 56.39 2o1c s ARG 8 Cb -0.30 -3.30 0.00 0.00 0.52 0.00 0.00 34.95 31.86 2o1c s ARG 8 CO 0.35 0.49 0.85 -0.35 0.02 0.00 0.00 175.30 176.65 2o1c n PRO 9 N 2.50 0.95 -4.07 3.54 -0.04 -1.26 -4.53 135.00 132.09 2o1c n PRO 9 Ca -0.11 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.07 2o1c n PRO 9 Cb 0.52 -1.12 -0.17 0.00 -0.04 0.00 0.00 33.50 32.69 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 -0.17 1.35 0.23 0.52 1.01 -1.26 -1.24 120.40 120.85 2o1c s VAL 10 Ca 0.00 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.48 2o1c s VAL 10 Cb 0.00 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 2o1c s VAL 10 CO 0.00 0.42 0.15 -0.94 0.00 0.00 0.00 175.10 174.73 2o1c s SER 11 N 1.46 0.59 0.22 3.32 1.04 0.11 -0.83 113.70 119.60 2o1c s SER 11 Ca 0.02 -1.46 0.09 0.00 0.48 0.00 0.00 55.95 55.08 2o1c s SER 11 Cb -0.13 0.39 -0.05 0.00 0.10 0.00 0.00 66.02 66.33 2o1c s SER 11 CO -0.08 -0.87 -0.17 0.27 0.98 0.00 0.00 173.24 173.37 2o1c s ILE 12 N -3.97 1.96 -0.06 -1.02 -5.25 0.12 -1.69 121.20 111.29 2o1c s ILE 12 Ca 0.39 -2.20 0.01 0.00 -0.99 0.00 0.00 60.65 57.86 2o1c s ILE 12 Cb 0.06 -2.07 0.02 0.00 2.95 0.00 0.00 42.46 43.42 2o1c s ILE 12 CO 0.15 -0.48 -0.08 -0.22 -1.79 0.00 0.00 174.94 172.52 2o1c s LEU 13 N -3.23 1.41 -0.27 0.37 2.96 -0.39 -2.33 118.68 117.20 2o1c s LEU 13 Ca 0.23 -0.22 0.02 0.00 -0.22 0.00 0.00 54.13 53.94 2o1c s LEU 13 Cb -0.03 -0.66 0.06 0.00 0.50 0.00 0.00 46.19 46.06 2o1c s LEU 13 CO 0.09 -0.03 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.30 2o1c s VAL 14 N 0.96 2.29 -0.61 1.68 1.01 0.40 -0.54 120.40 125.58 2o1c s VAL 14 Ca -0.10 -1.60 -0.27 0.00 0.00 0.00 0.00 61.98 60.01 2o1c s VAL 14 Cb -0.15 -2.34 0.03 0.00 0.00 0.00 0.00 36.38 33.92 2o1c s VAL 14 CO 0.00 -0.04 1.17 -0.69 0.00 0.00 0.00 175.10 175.55 2o1c s VAL 15 N 1.12 4.01 -0.15 2.92 1.01 -0.15 -2.47 120.40 126.70 2o1c s VAL 15 Ca -0.08 0.69 -0.20 0.00 0.00 0.00 0.00 61.98 62.38 2o1c s VAL 15 Cb -0.20 -4.74 -0.03 0.00 0.00 0.00 0.00 36.38 31.40 2o1c s VAL 15 CO -0.04 -1.42 0.56 -0.63 0.00 0.00 0.00 175.10 173.56 2o1c s ILE 16 N 4.96 5.11 0.19 2.22 1.01 -1.26 -0.68 121.20 132.75 2o1c s ILE 16 Ca 0.39 1.09 -0.02 0.00 0.00 0.00 0.00 60.65 62.11 2o1c s ILE 16 Cb -0.08 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 2o1c s ILE 16 CO 0.22 0.23 0.15 -0.72 0.00 0.00 0.00 174.94 174.81 2o1c s TYR 17 N 1.19 1.06 -0.25 3.97 1.13 -0.35 -1.29 117.35 122.81 2o1c s TYR 17 Ca 0.28 -1.31 -0.11 0.00 -1.41 0.00 0.00 57.07 54.52 2o1c s TYR 17 Cb -0.16 -0.49 -0.05 0.00 -1.10 0.00 0.00 41.96 40.16 2o1c s TYR 17 CO 0.11 -0.65 0.20 0.00 -2.51 0.00 0.00 175.55 172.71 2o1c s ALA 18 N -4.14 3.58 0.37 9.51 0.00 -0.19 -0.15 121.76 130.74 2o1c s ALA 18 Ca 0.36 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 51.45 2o1c s ALA 18 Cb 0.06 -2.43 0.71 0.00 0.00 0.00 0.00 23.12 21.47 2o1c s ALA 18 CO 0.10 -0.34 2.01 0.37 0.00 0.00 0.00 175.76 177.90 2o1c h GLN 19 N 7.81 0.75 -0.00 0.00 5.75 -0.87 0.30 115.11 128.84 2o1c h GLN 19 Ca -0.36 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.09 2o1c h GLN 19 Cb 1.17 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.56 2o1c h GLN 19 CO 0.63 0.50 -0.01 0.38 -2.65 0.00 0.00 178.83 177.68 2o1c h ASP 20 N 0.77 0.01 0.75 -0.69 2.03 -1.77 -3.35 116.42 114.17 2o1c h ASP 20 Ca 0.24 -0.70 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 2o1c h ASP 20 Cb 0.01 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.51 2o1c h ASP 20 CO -0.06 0.71 -1.07 0.35 -1.03 0.00 0.00 179.24 178.13 2o1c n THR 21 N -4.75 0.42 -1.66 1.15 -2.24 -1.22 -4.97 114.28 101.02 2o1c n THR 21 Ca -0.09 -0.44 -0.20 0.00 -2.27 0.00 0.00 64.05 61.04 2o1c n THR 21 Cb 0.35 -0.16 -0.08 0.00 -2.10 0.00 0.00 70.33 68.34 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 -2.41 -1.42 -2.85 -0.78 4.76 0.10 -5.00 118.16 110.56 2o1c n LYS 22 Ca 0.00 1.19 -0.32 0.00 -2.87 0.00 0.00 58.31 56.31 2o1c n LYS 22 Cb 0.51 -5.56 -0.06 0.00 -1.84 0.00 0.00 35.03 28.09 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 -3.83 4.06 -0.12 1.97 0.52 -1.25 -3.92 118.95 116.39 2o1c s ARG 23 Ca 0.00 0.88 -0.03 0.00 -0.52 0.00 0.00 55.73 56.05 2o1c s ARG 23 Cb 0.00 -2.28 -0.03 0.00 0.52 0.00 0.00 34.95 33.16 2o1c s ARG 23 CO 0.00 -0.01 -0.00 0.08 0.02 0.00 0.00 175.30 175.39 2o1c s VAL 24 N -2.21 4.25 -0.45 3.52 1.01 0.11 -1.02 120.40 125.60 2o1c s VAL 24 Ca 0.58 -0.25 -0.29 0.00 0.00 0.00 0.00 61.98 62.02 2o1c s VAL 24 Cb -0.10 -2.83 0.03 0.00 0.00 0.00 0.00 36.38 33.48 2o1c s VAL 24 CO 0.19 0.55 1.17 -0.22 0.00 0.00 0.00 175.10 176.79 2o1c s LEU 25 N -0.36 3.66 -0.09 3.92 0.20 -0.41 -1.35 118.68 124.23 2o1c s LEU 25 Ca 0.07 0.57 0.00 0.00 0.69 0.00 0.00 54.13 55.46 2o1c s LEU 25 Cb -0.12 -3.55 -0.03 0.00 -0.43 0.00 0.00 46.19 42.06 2o1c s LEU 25 CO 0.02 -1.24 -0.08 -0.04 -0.29 0.00 0.00 176.35 174.72 2o1c s MET 26 N 4.44 3.00 -0.06 1.98 -1.94 0.35 -4.36 119.30 122.70 2o1c s MET 26 Ca 0.49 -0.58 0.04 0.00 -1.71 0.00 0.00 55.69 53.93 2o1c s MET 26 Cb -0.08 -2.64 0.00 0.00 2.01 0.00 0.00 34.83 34.12 2o1c s MET 26 CO 0.30 0.51 -0.17 -0.51 -0.01 0.00 0.00 175.02 175.14 2o1c s LEU 27 N -0.40 1.87 -0.32 -0.03 1.43 0.53 -0.80 118.68 120.96 2o1c s LEU 27 Ca 0.06 -0.38 -0.23 0.00 -1.03 0.00 0.00 54.13 52.54 2o1c s LEU 27 Cb -0.12 -1.02 0.00 0.00 0.03 0.00 0.00 46.19 45.08 2o1c s LEU 27 CO 0.02 0.12 0.78 -1.58 0.23 0.00 0.00 176.35 175.93 2o1c s GLN 28 N 0.27 3.91 0.62 1.70 0.74 -0.41 -0.97 119.66 125.51 2o1c s GLN 28 Ca -0.10 0.51 -0.17 0.00 0.05 0.00 0.00 55.36 55.65 2o1c s GLN 28 Cb -0.14 -3.75 -0.02 0.00 1.10 0.00 0.00 33.01 30.20 2o1c s GLN 28 CO 0.04 -0.72 1.18 1.03 -0.55 0.00 0.00 175.29 176.26 2o1c s ARG 29 N 2.99 2.84 0.09 1.67 0.52 -0.57 0.18 118.95 126.66 2o1c s ARG 29 Ca 0.32 1.70 0.23 0.00 -0.52 0.00 0.00 55.73 57.45 2o1c s ARG 29 Cb -0.14 -1.93 -0.03 0.00 0.52 0.00 0.00 34.95 33.37 2o1c s ARG 29 CO 0.14 -1.28 0.94 2.89 0.02 0.00 0.00 175.30 178.01 2o1c n ARG 30 N -1.92 0.46 0.03 3.54 1.85 -1.26 -3.23 116.66 116.13 2o1c n ARG 30 Ca 0.13 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.76 2o1c n ARG 30 Cb 0.50 -1.66 -0.14 0.00 -1.05 0.00 0.00 32.46 30.11 2o1c n ARG 30 CO 0.00 0.00 0.00 0.38 -0.01 0.00 0.00 177.63 178.00 2o1c h ASP 31 N 0.00 0.46 -3.72 2.89 3.04 -1.93 -3.42 116.42 113.75 2o1c h ASP 31 Ca 0.00 -0.89 -0.62 0.00 -3.24 0.00 0.00 57.03 52.28 2o1c h ASP 31 Cb 0.87 -0.15 -0.40 0.00 -1.04 0.00 0.00 39.33 38.60 2o1c h ASP 31 CO 0.00 1.64 -0.71 -0.62 -2.04 0.00 0.00 179.24 177.51 2o1c s ASP 32 N -7.11 3.95 0.13 4.15 -1.08 -1.26 -5.00 116.67 110.45 2o1c s ASP 32 Ca -0.18 -2.59 0.08 0.00 -0.52 0.00 0.00 52.55 49.34 2o1c s ASP 32 Cb 0.04 -1.23 0.45 0.00 -1.46 0.00 0.00 42.92 40.73 2o1c s ASP 32 CO 0.80 -0.28 1.25 -2.65 0.52 0.00 0.00 175.17 174.81 2o1c n PRO 33 N 3.61 0.05 0.00 4.34 -0.02 -1.20 -0.77 135.00 141.02 2o1c n PRO 33 Ca 0.06 0.55 0.13 0.00 -2.02 0.00 0.00 63.50 62.22 2o1c n PRO 33 Cb 0.35 -1.68 0.49 0.00 -0.02 0.00 0.00 33.50 32.64 2o1c n PRO 33 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2o1c n ASP 34 N -1.79 0.24 -4.30 2.55 8.00 -1.26 -4.72 116.55 115.26 2o1c n ASP 34 Ca -0.01 0.09 -0.44 0.00 0.71 0.00 0.00 54.79 55.14 2o1c n ASP 34 Cb 0.02 -0.18 -0.07 0.00 -0.02 0.00 0.00 41.12 40.87 2o1c n ASP 34 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2o1c s PHE 35 N -2.92 3.29 -0.02 1.24 2.19 0.05 -4.78 117.98 117.03 2o1c s PHE 35 Ca 0.15 -1.36 -0.06 0.00 0.33 0.00 0.00 56.93 55.98 2o1c s PHE 35 Cb 0.19 -3.54 -0.05 0.00 -1.31 0.00 0.00 43.02 38.31 2o1c s PHE 35 CO 0.58 -0.96 0.24 -1.58 1.83 0.00 0.00 175.22 175.33 2o1c s TRP 36 N 1.54 3.58 0.20 10.12 0.52 -1.26 -1.52 118.94 132.13 2o1c s TRP 36 Ca 0.04 0.55 -0.22 0.00 0.02 0.00 0.00 56.10 56.49 2o1c s TRP 36 Cb -0.27 -1.97 0.05 0.00 -1.15 0.00 0.00 33.47 30.13 2o1c s TRP 36 CO 0.03 0.64 0.62 1.14 0.02 0.00 0.00 176.95 179.40 2o1c s GLN 37 N -1.62 1.43 0.80 4.98 -2.07 -0.15 -4.09 119.66 118.95 2o1c s GLN 37 Ca 0.25 -0.67 -0.13 0.00 -1.82 0.00 0.00 55.36 52.99 2o1c s GLN 37 Cb -0.13 0.59 0.20 0.00 -1.09 0.00 0.00 33.01 32.57 2o1c s GLN 37 CO 0.14 -0.63 0.76 0.43 -1.32 0.00 0.00 175.29 174.67 2o1c n SER 38 N -0.39 -1.47 -4.71 12.60 7.64 -1.26 -0.34 113.62 125.68 2o1c n SER 38 Ca -0.13 -1.00 -0.42 0.00 1.01 0.00 0.00 58.87 58.33 2o1c n SER 38 Cb 0.63 -0.68 -0.03 0.00 -1.01 0.00 0.00 64.21 63.12 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 -2.43 3.99 0.14 0.44 1.01 -1.03 -4.85 120.40 117.67 2o1c s VAL 39 Ca 0.48 1.42 0.04 0.00 0.00 0.00 0.00 61.98 63.92 2o1c s VAL 39 Cb -0.04 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 2o1c s VAL 39 CO 0.36 0.09 -0.10 0.42 0.00 0.00 0.00 175.10 175.88 2o1c s THR 40 N 1.27 1.14 0.00 3.92 -4.23 -1.26 -0.45 115.64 116.02 2o1c s THR 40 Ca 0.59 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 2o1c s THR 40 Cb -0.30 -1.84 0.00 0.00 1.34 0.00 0.00 72.50 71.70 2o1c s THR 40 CO 0.28 -0.75 0.00 0.61 -0.54 0.00 0.00 174.62 174.22 2o1c n GLY 41 N -0.19 0.36 3.77 3.99 0.00 -0.98 -4.99 105.19 107.15 2o1c n GLY 41 Ca -0.10 -0.79 -0.39 0.00 0.00 0.00 0.00 46.02 44.74 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 6.82 -0.44 1.61 0.01 -1.26 -0.70 113.70 119.74 2o1c s SER 42 Ca 0.00 2.26 -0.26 0.00 1.31 0.00 0.00 55.95 59.26 2o1c s SER 42 Cb 0.00 -2.61 0.02 0.00 0.21 0.00 0.00 66.02 63.64 2o1c s SER 42 CO 0.00 -0.46 0.97 -0.69 0.41 0.00 0.00 173.24 173.47 2o1c s VAL 43 N -1.39 4.45 0.50 3.43 1.01 -0.01 -4.84 120.40 123.56 2o1c s VAL 43 Ca 0.53 0.97 -0.12 0.00 0.00 0.00 0.00 61.98 63.36 2o1c s VAL 43 Cb -0.29 -4.44 -0.06 0.00 0.00 0.00 0.00 36.38 31.58 2o1c s VAL 43 CO 0.37 -0.79 0.91 -1.61 0.00 0.00 0.00 175.10 173.98 2o1c s GLU 44 N 3.82 3.76 0.11 2.72 0.41 -1.26 -4.85 118.70 123.41 2o1c s GLU 44 Ca 0.40 0.66 -0.36 0.00 -0.41 0.00 0.00 54.97 55.26 2o1c s GLU 44 Cb -0.10 -2.23 -0.16 0.00 -1.78 0.00 0.00 34.13 29.86 2o1c s GLU 44 CO 0.25 -0.26 1.36 -1.91 -0.49 0.00 0.00 175.26 174.21 2o1c n GLU 45 N -1.86 1.34 -0.15 1.61 4.07 -1.26 -1.82 120.64 122.57 2o1c n GLU 45 Ca 0.04 0.48 0.00 0.00 -0.06 0.00 0.00 57.16 57.63 2o1c n GLU 45 Cb 0.54 -2.13 0.00 0.00 -0.06 0.00 0.00 31.44 29.79 2o1c n GLU 45 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2o1c n GLY 46 N 2.60 1.00 3.53 8.31 0.00 -1.26 -5.05 105.19 114.33 2o1c n GLY 46 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 2o1c n GLY 46 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2o1c s GLU 47 N -0.60 1.89 0.48 1.61 -1.05 -0.76 -5.15 118.70 115.12 2o1c s GLU 47 Ca 0.00 -1.66 0.03 0.00 -0.15 0.00 0.00 54.97 53.19 2o1c s GLU 47 Cb 0.00 -1.90 0.02 0.00 -0.44 0.00 0.00 34.13 31.81 2o1c s GLU 47 CO 0.00 0.33 0.68 0.95 0.95 0.00 0.00 175.26 178.17 2o1c s THR 48 N -2.45 3.21 0.15 1.83 -4.23 -1.26 -4.70 115.64 108.18 2o1c s THR 48 Ca 0.31 -0.73 -0.16 0.00 -1.18 0.00 0.00 61.69 59.93 2o1c s THR 48 Cb -0.05 -3.16 0.01 0.00 1.34 0.00 0.00 72.50 70.64 2o1c s THR 48 CO 0.17 -0.10 1.77 0.00 -0.54 0.00 0.00 174.62 175.92 2o1c h ALA 49 N 0.35 0.54 -0.99 3.99 0.00 -1.98 -0.10 119.26 121.06 2o1c h ALA 49 Ca -0.43 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.44 2o1c h ALA 49 Cb 1.28 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 2o1c h ALA 49 CO 0.52 0.04 0.65 -1.35 0.00 0.00 0.00 179.25 179.12 2o1c h PRO 50 N 0.55 1.24 -0.74 0.00 0.11 -1.99 0.03 132.00 131.20 2o1c h PRO 50 Ca 0.15 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 66.14 2o1c h PRO 50 Cb 0.03 -0.28 -0.03 0.00 0.11 0.00 0.00 31.00 30.82 2o1c h PRO 50 CO -0.03 0.82 0.29 1.96 -0.21 0.00 0.00 178.00 180.83 2o1c h GLN 51 N 1.28 1.11 -0.46 1.05 4.20 -1.87 -1.57 115.11 118.84 2o1c h GLN 51 Ca 0.39 -0.21 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 2o1c h GLN 51 Cb -0.03 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.55 2o1c h GLN 51 CO -0.11 0.91 0.18 0.00 -0.67 0.00 0.00 178.83 179.13 2o1c h ALA 52 N 1.14 0.60 -0.71 3.87 0.00 -0.52 -1.68 119.26 121.95 2o1c h ALA 52 Ca 0.25 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.07 2o1c h ALA 52 Cb 0.22 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 2o1c h ALA 52 CO -0.02 0.21 0.40 0.00 0.00 0.00 0.00 179.25 179.85 2o1c h ALA 53 N 1.02 0.97 -0.26 0.00 0.00 -0.70 -0.61 119.26 119.68 2o1c h ALA 53 Ca 0.15 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 2o1c h ALA 53 Cb 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2o1c h ALA 53 CO -0.01 0.08 -0.14 0.52 0.00 0.00 0.00 179.25 179.70 2o1c h MET 54 N 0.73 0.56 -0.10 0.00 2.07 -1.12 -1.92 114.93 115.15 2o1c h MET 54 Ca 0.32 -0.25 0.01 0.00 -2.07 0.00 0.00 59.70 57.71 2o1c h MET 54 Cb 0.21 -0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 29.92 2o1c h MET 54 CO -0.19 0.81 0.04 -0.09 1.07 0.00 0.00 176.91 178.55 2o1c h ARG 55 N 0.29 0.09 -0.71 1.72 2.43 -1.11 -2.04 114.38 115.04 2o1c h ARG 55 Ca 0.06 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 2o1c h ARG 55 Cb 0.65 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.15 2o1c h ARG 55 CO 0.04 0.06 0.20 0.93 -1.51 0.00 0.00 179.97 179.69 2o1c h GLU 56 N 0.09 1.11 -0.54 0.20 4.39 -1.09 0.20 114.58 118.95 2o1c h GLU 56 Ca 0.04 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.50 2o1c h GLU 56 Cb 0.02 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.49 2o1c h GLU 56 CO -0.04 0.96 0.36 0.28 -1.16 0.00 0.00 179.01 179.41 2o1c h VAL 57 N 1.06 1.14 -0.26 3.13 2.07 -1.23 0.17 116.25 122.33 2o1c h VAL 57 Ca 0.23 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 2o1c h VAL 57 Cb 0.33 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2o1c h VAL 57 CO -0.00 0.14 0.05 0.50 0.02 0.00 0.00 177.57 178.27 2o1c h LYS 58 N 0.74 0.43 -0.38 1.57 3.64 -0.99 -1.51 116.57 120.07 2o1c h LYS 58 Ca 0.20 -0.11 -0.11 0.00 -1.27 0.00 0.00 60.65 59.35 2o1c h LYS 58 Cb -0.08 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 2o1c h LYS 58 CO -0.04 0.55 -0.19 0.93 -2.27 0.00 0.00 179.45 178.42 2o1c h GLU 59 N 0.25 0.80 0.13 1.90 5.08 -0.40 -1.79 114.58 120.54 2o1c h GLU 59 Ca 0.08 -0.36 -0.33 0.00 -1.00 0.00 0.00 59.36 57.75 2o1c h GLU 59 Cb 0.32 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2o1c h GLU 59 CO 0.00 0.98 -1.72 0.93 -1.00 0.00 0.00 179.01 178.21 2o1c h GLU 60 N 0.60 0.27 0.00 2.33 5.08 -0.72 -3.41 114.58 118.73 2o1c h GLU 60 Ca 0.08 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 2o1c h GLU 60 Cb 0.75 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2o1c h GLU 60 CO 0.06 1.13 -0.01 1.33 -1.00 0.00 0.00 179.01 180.52 2o1c n VAL 61 N -3.45 0.56 -3.82 3.13 0.24 -0.59 -2.56 118.33 111.83 2o1c n VAL 61 Ca -0.22 -0.56 -0.28 0.00 -2.04 0.00 0.00 64.34 61.23 2o1c n VAL 61 Cb 1.05 0.71 0.04 0.00 -1.47 0.00 0.00 33.84 34.17 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 -0.29 -2.54 -4.18 3.34 -1.04 -0.67 -4.29 114.28 104.61 2o1c n THR 62 Ca 0.00 -0.06 -0.34 0.00 -2.04 0.00 0.00 64.05 61.61 2o1c n THR 62 Cb 0.37 -3.20 -0.15 0.00 -1.82 0.00 0.00 70.33 65.53 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 -3.34 2.99 -0.51 12.58 1.01 -1.21 -4.95 121.20 127.78 2o1c s ILE 63 Ca 0.57 -0.64 -0.15 0.00 0.00 0.00 0.00 60.65 60.43 2o1c s ILE 63 Cb -0.28 -2.32 0.11 0.00 0.01 0.00 0.00 42.46 39.98 2o1c s ILE 63 CO 0.81 0.47 0.44 -0.62 0.00 0.00 0.00 174.94 176.04 2o1c s ASP 64 N 1.15 6.12 0.14 3.58 -1.08 -1.26 -2.83 116.67 122.49 2o1c s ASP 64 Ca 0.01 -1.62 -0.17 0.00 -0.52 0.00 0.00 52.55 50.25 2o1c s ASP 64 Cb -0.14 -2.18 -0.01 0.00 -1.46 0.00 0.00 42.92 39.13 2o1c s ASP 64 CO -0.03 -0.76 1.75 0.58 0.52 0.00 0.00 175.17 177.23 2o1c h VAL 65 N 5.87 1.14 -0.35 1.11 2.07 -1.94 -0.03 116.25 124.12 2o1c h VAL 65 Ca -0.29 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 2o1c h VAL 65 Cb 1.10 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 2o1c h VAL 65 CO 0.96 0.15 0.17 0.58 0.02 0.00 0.00 177.57 179.45 2o1c h VAL 66 N 0.48 1.16 -0.24 2.57 2.07 -1.92 -1.62 116.25 118.75 2o1c h VAL 66 Ca 0.13 -0.46 -0.10 0.00 0.82 0.00 0.00 66.70 67.10 2o1c h VAL 66 Cb 0.05 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 2o1c h VAL 66 CO -0.02 0.17 -0.26 0.00 0.02 0.00 0.00 177.57 177.47 2o1c h ALA 67 N 1.03 1.10 -0.01 1.67 0.00 -1.91 -2.66 119.26 118.48 2o1c h ALA 67 Ca 0.12 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2o1c h ALA 67 Cb 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2o1c h ALA 67 CO -0.02 0.56 -0.09 0.39 0.00 0.00 0.00 179.25 180.10 2o1c n GLU 68 N -4.12 1.17 -3.43 0.00 1.02 -0.05 -4.93 120.64 110.31 2o1c n GLU 68 Ca -0.00 -0.57 -0.25 0.00 -0.02 0.00 0.00 57.16 56.32 2o1c n GLU 68 Cb 0.41 -1.49 0.02 0.00 -0.02 0.00 0.00 31.44 30.36 2o1c n GLU 68 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2o1c n GLN 69 N -0.42 -4.73 -2.08 3.49 6.02 -0.68 -4.99 117.38 114.00 2o1c n GLN 69 Ca 0.17 0.66 -0.29 0.00 -0.01 0.00 0.00 57.00 57.53 2o1c n GLN 69 Cb 0.31 -5.49 0.04 0.00 1.02 0.00 0.00 30.24 26.12 2o1c n GLN 69 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2o1c s LEU 70 N -6.82 3.01 -0.38 1.08 1.43 -0.80 -5.05 118.68 111.15 2o1c s LEU 70 Ca 0.46 0.95 -0.12 0.00 -1.03 0.00 0.00 54.13 54.38 2o1c s LEU 70 Cb -0.23 -3.74 0.02 0.00 0.03 0.00 0.00 46.19 42.28 2o1c s LEU 70 CO 0.57 -1.26 0.23 -0.89 0.23 0.00 0.00 176.35 175.22 2o1c s THR 71 N -3.23 4.77 -0.58 5.49 2.01 -1.26 -4.80 115.64 118.04 2o1c s THR 71 Ca 0.57 -0.78 -0.27 0.00 0.31 0.00 0.00 61.69 61.51 2o1c s THR 71 Cb -0.11 -3.65 0.03 0.00 0.01 0.00 0.00 72.50 68.78 2o1c s THR 71 CO 0.49 -0.24 1.14 -0.22 -0.69 0.00 0.00 174.62 175.09 2o1c s LEU 72 N 1.59 3.60 -0.22 4.42 0.20 -1.26 -4.43 118.68 122.57 2o1c s LEU 72 Ca 0.03 -0.04 -0.27 0.00 0.69 0.00 0.00 54.13 54.54 2o1c s LEU 72 Cb -0.19 -3.05 0.00 0.00 -0.43 0.00 0.00 46.19 42.53 2o1c s LEU 72 CO 0.08 -1.44 0.93 -0.63 -0.29 0.00 0.00 176.35 175.00 2o1c s ILE 73 N 4.75 4.77 -0.37 6.68 1.01 -0.05 -4.93 121.20 133.06 2o1c s ILE 73 Ca 0.39 1.81 -0.27 0.00 0.00 0.00 0.00 60.65 62.58 2o1c s ILE 73 Cb -0.09 -4.22 0.02 0.00 0.01 0.00 0.00 42.46 38.18 2o1c s ILE 73 CO 0.23 -0.11 0.98 -0.62 0.00 0.00 0.00 174.94 175.42 2o1c s ASP 74 N 1.25 6.73 0.18 3.58 -1.08 -1.26 -1.01 116.67 125.06 2o1c s ASP 74 Ca 0.40 0.67 0.22 0.00 -0.52 0.00 0.00 52.55 53.32 2o1c s ASP 74 Cb -0.15 -2.49 0.89 0.00 -1.46 0.00 0.00 42.92 39.71 2o1c s ASP 74 CO 0.08 -0.90 1.67 0.00 0.52 0.00 0.00 175.17 176.53 2o1c n GLN 76 N -2.04 -4.66 -4.41 0.00 6.02 -1.26 -4.99 117.38 106.04 2o1c n GLN 76 Ca 0.03 0.54 -0.21 0.00 -0.01 0.00 0.00 57.00 57.35 2o1c n GLN 76 Cb 0.24 -5.18 -0.16 0.00 1.02 0.00 0.00 30.24 26.16 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 -6.48 1.08 -0.05 -1.09 3.00 -1.26 -5.07 118.95 109.09 2o1c s ARG 77 Ca 0.38 -0.31 0.03 0.00 0.00 0.00 0.00 55.73 55.83 2o1c s ARG 77 Cb -0.19 -0.99 0.01 0.00 0.00 0.00 0.00 34.95 33.78 2o1c s ARG 77 CO 0.85 0.08 -0.12 0.99 0.00 0.00 0.00 175.30 177.10 2o1c s THR 78 N 0.35 1.06 0.31 0.02 2.01 -1.26 -1.55 115.64 116.58 2o1c s THR 78 Ca -0.06 -0.48 0.06 0.00 0.31 0.00 0.00 61.69 61.53 2o1c s THR 78 Cb -0.10 -0.95 -0.06 0.00 0.01 0.00 0.00 72.50 71.39 2o1c s THR 78 CO 0.01 0.33 -0.03 0.68 -0.69 0.00 0.00 174.62 174.92 2o1c s VAL 79 N 0.40 1.65 -0.03 3.82 -7.23 0.13 -4.97 120.40 114.17 2o1c s VAL 79 Ca -0.09 -2.09 0.06 0.00 -1.81 0.00 0.00 61.98 58.05 2o1c s VAL 79 Cb -0.13 -2.61 -0.01 0.00 0.56 0.00 0.00 36.38 34.19 2o1c s VAL 79 CO 0.02 -0.19 -0.21 -0.70 -0.31 0.00 0.00 175.10 173.72 2o1c s GLU 80 N -3.75 1.88 0.07 4.82 2.12 -1.26 -0.57 118.70 122.01 2o1c s GLU 80 Ca 0.32 -0.74 -0.05 0.00 0.36 0.00 0.00 54.97 54.86 2o1c s GLU 80 Cb 0.05 -1.71 -0.02 0.00 0.26 0.00 0.00 34.13 32.71 2o1c s GLU 80 CO 0.14 0.38 0.08 -0.59 -0.54 0.00 0.00 175.26 174.73 2o1c s PHE 81 N -0.27 0.32 -0.05 5.30 -0.12 -0.08 -4.98 117.98 118.10 2o1c s PHE 81 Ca 0.02 -0.80 -0.30 0.00 -0.05 0.00 0.00 56.93 55.81 2o1c s PHE 81 Cb -0.10 -0.22 -0.04 0.00 -0.63 0.00 0.00 43.02 42.03 2o1c s PHE 81 CO 0.01 -0.45 1.39 -2.00 -0.05 0.00 0.00 175.22 174.11 2o1c s GLU 82 N -3.79 4.26 0.24 1.99 2.56 -1.26 -0.78 118.70 121.93 2o1c s GLU 82 Ca 0.05 1.90 -0.31 0.00 0.00 0.00 0.00 54.97 56.61 2o1c s GLU 82 Cb 0.06 -3.68 -0.11 0.00 2.00 0.00 0.00 34.13 32.40 2o1c s GLU 82 CO -0.10 -0.63 1.61 0.42 -0.56 0.00 0.00 175.26 176.00 2o1c s ILE 83 N 2.87 2.23 0.15 -3.70 1.01 0.69 -4.89 121.20 119.55 2o1c s ILE 83 Ca 0.62 0.18 -0.34 0.00 0.00 0.00 0.00 60.65 61.10 2o1c s ILE 83 Cb -0.29 -3.11 -0.15 0.00 0.01 0.00 0.00 42.46 38.92 2o1c s ILE 83 CO 0.24 0.02 1.48 0.49 0.00 0.00 0.00 174.94 177.17 2o1c n PHE 84 N 3.14 2.02 -0.26 3.97 3.72 -1.26 -4.82 117.46 123.96 2o1c n PHE 84 Ca 0.12 0.40 0.07 0.00 -0.05 0.00 0.00 57.45 57.98 2o1c n PHE 84 Cb 0.37 -2.47 0.20 0.00 -0.94 0.00 0.00 39.48 36.64 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 5.33 0.01 0.38 4.37 0.02 -1.99 -0.48 113.55 121.20 2o1c h SER 85 Ca -0.46 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 2o1c h SER 85 Cb 1.28 0.21 0.00 0.00 0.14 0.00 0.00 62.40 64.03 2o1c h SER 85 CO 0.84 -0.06 0.00 0.00 -1.14 0.00 0.00 176.83 176.47 2o1c n HIS 86 N -5.17 0.00 0.19 3.45 1.44 -1.26 -2.91 115.22 110.95 2o1c n HIS 86 Ca 0.16 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.89 2o1c n HIS 86 Cb 0.50 -0.22 0.01 0.00 0.12 0.00 0.00 29.99 30.40 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 -1.22 1.14 0.25 2.39 4.77 -0.23 -4.72 117.00 119.37 2o1c n LEU 87 Ca 0.14 -0.90 0.16 0.00 -0.03 0.00 0.00 56.01 55.38 2o1c n LEU 87 Cb 0.18 0.00 0.68 0.00 -2.33 0.00 0.00 43.42 41.95 2o1c n LEU 87 CO 0.19 0.25 0.97 -0.09 -1.33 0.00 0.00 177.39 177.38 2o1c h ARG 88 N 0.70 0.00 -0.05 3.23 2.43 -1.30 -3.17 114.38 116.22 2o1c h ARG 88 Ca 0.00 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 2o1c h ARG 88 Cb 0.17 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2o1c h ARG 88 CO 0.00 0.00 0.10 1.12 -1.51 0.00 0.00 179.97 179.68 2o1c h HIS 89 N 0.00 0.00 -0.00 2.20 2.07 -1.85 -0.85 115.15 116.72 2o1c h HIS 89 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2o1c h HIS 89 Cb 0.43 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.41 2o1c h HIS 89 CO 0.00 0.00 -0.09 0.54 -3.07 0.00 0.00 177.93 175.31 2o1c n ARG 90 N -3.44 0.85 -4.10 5.12 5.12 -1.20 -4.87 116.66 114.14 2o1c n ARG 90 Ca -0.02 -0.30 -0.23 0.00 -1.93 0.00 0.00 57.85 55.37 2o1c n ARG 90 Cb 0.19 -1.49 -0.04 0.00 -1.16 0.00 0.00 32.46 29.95 2o1c n ARG 90 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 2o1c s TYR 91 N -2.36 3.15 0.68 -1.55 1.51 -0.33 -0.21 117.35 118.24 2o1c s TYR 91 Ca 0.32 -0.08 -0.17 0.00 -1.01 0.00 0.00 57.07 56.14 2o1c s TYR 91 Cb 0.20 -1.45 0.01 0.00 -0.11 0.00 0.00 41.96 40.61 2o1c s TYR 91 CO 0.45 0.52 1.23 0.00 -1.11 0.00 0.00 175.55 176.64 2o1c n ALA 92 N -0.95 0.77 -1.60 3.71 0.00 -1.26 -4.86 120.51 116.31 2o1c n ALA 92 Ca -0.08 -0.08 -0.49 0.00 0.00 0.00 0.00 53.44 52.79 2o1c n ALA 92 Cb 0.57 -2.28 -0.04 0.00 0.00 0.00 0.00 19.45 17.69 2o1c n ALA 92 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2o1c n PRO 93 N -2.11 1.39 0.00 0.00 -0.02 -1.26 -1.57 135.00 131.42 2o1c n PRO 93 Ca 0.15 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 2o1c n PRO 93 Cb 0.49 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 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 2.33 3.01 3.69 -1.23 0.00 -1.26 -5.02 105.19 106.71 2o1c n GLY 94 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.32 4.21 0.00 1.61 1.01 -0.61 -4.86 120.40 119.44 2o1c s VAL 95 Ca 0.00 1.55 0.00 0.00 0.00 0.00 0.00 61.98 63.53 2o1c s VAL 95 Cb 0.00 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.38 2o1c s VAL 95 CO 0.00 0.02 0.00 0.35 0.00 0.00 0.00 175.10 175.47 2o1c n THR 96 N 4.51 0.00 -4.55 3.92 -2.24 -1.26 -4.87 114.28 109.78 2o1c n THR 96 Ca 0.11 -0.07 -0.33 0.00 -2.27 0.00 0.00 64.05 61.48 2o1c n THR 96 Cb 0.46 0.59 -0.13 0.00 -2.10 0.00 0.00 70.33 69.15 2o1c n THR 96 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2o1c s ARG 97 N -0.39 3.52 -0.08 -0.78 1.81 -1.26 -0.22 118.95 121.54 2o1c s ARG 97 Ca 0.00 -0.61 0.02 0.00 -1.72 0.00 0.00 55.73 53.42 2o1c s ARG 97 Cb 0.00 -2.79 -0.02 0.00 -0.45 0.00 0.00 34.95 31.69 2o1c s ARG 97 CO 0.00 0.20 -0.13 1.21 -0.68 0.00 0.00 175.30 175.90 2o1c s ASN 98 N 0.43 4.11 -0.20 0.23 2.47 0.04 -4.79 114.94 117.23 2o1c s ASN 98 Ca -0.07 -0.22 -0.07 0.00 0.42 0.00 0.00 52.86 52.93 2o1c s ASN 98 Cb -0.15 -1.15 -0.04 0.00 -1.45 0.00 0.00 41.25 38.47 2o1c s ASN 98 CO 0.04 0.29 0.05 -0.89 -3.72 0.00 0.00 177.10 172.87 2o1c s THR 99 N -0.37 4.55 -0.07 -5.21 2.01 -0.37 -0.91 115.64 115.28 2o1c s THR 99 Ca 0.04 -0.11 0.03 0.00 0.31 0.00 0.00 61.69 61.96 2o1c s THR 99 Cb -0.12 -3.06 0.01 0.00 0.01 0.00 0.00 72.50 69.33 2o1c s THR 99 CO 0.02 0.43 -0.16 -0.70 -0.69 0.00 0.00 174.62 173.52 2o1c s GLU 100 N 0.70 2.05 -0.09 4.92 2.12 0.26 0.07 118.70 128.74 2o1c s GLU 100 Ca 0.03 -0.58 -0.01 0.00 0.36 0.00 0.00 54.97 54.76 2o1c s GLU 100 Cb -0.13 -1.66 -0.03 0.00 0.26 0.00 0.00 34.13 32.56 2o1c s GLU 100 CO 0.02 0.13 -0.04 -1.12 -0.54 0.00 0.00 175.26 173.71 2o1c s SER 101 N 0.40 4.90 -0.12 -1.70 0.01 -0.68 -0.70 113.70 115.82 2o1c s SER 101 Ca -0.13 0.03 -0.06 0.00 1.31 0.00 0.00 55.95 57.10 2o1c s SER 101 Cb -0.15 -1.38 -0.04 0.00 0.21 0.00 0.00 66.02 64.66 2o1c s SER 101 CO 0.05 0.34 0.12 0.26 0.41 0.00 0.00 173.24 174.41 2o1c s TRP 102 N -0.66 3.53 0.07 2.43 0.51 -0.59 -1.26 118.94 122.97 2o1c s TRP 102 Ca 0.10 0.48 0.02 0.00 -2.12 0.00 0.00 56.10 54.58 2o1c s TRP 102 Cb -0.12 -1.92 -0.03 0.00 -0.81 0.00 0.00 33.47 30.59 2o1c s TRP 102 CO 0.02 0.69 -0.07 -0.06 -0.51 0.00 0.00 176.95 177.02 2o1c s PHE 103 N -0.99 0.76 0.25 -1.98 0.40 0.29 -1.64 117.98 115.07 2o1c s PHE 103 Ca 0.15 -0.71 0.07 0.00 -0.60 0.00 0.00 56.93 55.84 2o1c s PHE 103 Cb -0.12 -0.45 -0.05 0.00 0.51 0.00 0.00 43.02 42.91 2o1c s PHE 103 CO 0.04 -0.12 -0.10 0.00 0.70 0.00 0.00 175.22 175.73 2o1c s LEU 105 N -3.40 -0.26 -0.22 0.00 2.96 0.15 -0.87 118.68 117.04 2o1c s LEU 105 Ca 0.27 0.03 -0.18 0.00 -0.22 0.00 0.00 54.13 54.03 2o1c s LEU 105 Cb 0.01 0.60 -0.03 0.00 0.50 0.00 0.00 46.19 47.27 2o1c s LEU 105 CO 0.10 -0.30 0.49 0.00 -1.32 0.00 0.00 176.35 175.32 2o1c s ALA 106 N 2.39 3.56 0.24 5.97 0.00 -1.26 -1.21 121.76 131.45 2o1c s ALA 106 Ca 0.07 -0.48 -0.13 0.00 0.00 0.00 0.00 51.96 51.42 2o1c s ALA 106 Cb -0.15 -2.80 -0.08 0.00 0.00 0.00 0.00 23.12 20.09 2o1c s ALA 106 CO -0.12 -0.49 0.62 -0.51 0.00 0.00 0.00 175.76 175.25 2o1c s LEU 107 N 1.75 4.18 0.41 0.00 1.43 0.79 -4.76 118.68 122.48 2o1c s LEU 107 Ca 0.22 1.09 0.10 0.00 -1.03 0.00 0.00 54.13 54.51 2o1c s LEU 107 Cb -0.15 -3.72 0.87 0.00 0.03 0.00 0.00 46.19 43.21 2o1c s LEU 107 CO 0.09 -0.08 1.98 1.55 0.23 0.00 0.00 176.35 180.13 2o1c h PRO 108 N 2.69 0.27 -4.27 1.29 0.13 -1.96 0.15 132.00 130.29 2o1c h PRO 108 Ca -0.47 -0.04 -0.17 0.00 -0.87 0.00 0.00 66.00 64.44 2o1c h PRO 108 Cb 1.18 -0.05 -0.14 0.00 0.13 0.00 0.00 31.00 32.12 2o1c h PRO 108 CO 0.67 0.32 -0.50 -1.01 -0.23 0.00 0.00 178.00 177.25 2o1c s HIS 109 N -4.95 0.80 0.63 1.56 3.76 -1.26 -3.28 115.29 112.55 2o1c s HIS 109 Ca -0.06 -1.12 -0.17 0.00 -0.15 0.00 0.00 55.06 53.57 2o1c s HIS 109 Cb 0.16 -0.33 -0.02 0.00 1.11 0.00 0.00 32.58 33.50 2o1c s HIS 109 CO 0.72 -0.66 1.13 -1.21 -0.85 0.00 0.00 174.74 173.87 2o1c s GLU 110 N -4.06 2.92 0.07 1.40 2.02 -1.26 -4.79 118.70 114.98 2o1c s GLU 110 Ca 0.27 1.51 -0.09 0.00 0.02 0.00 0.00 54.97 56.69 2o1c s GLU 110 Cb 0.05 -1.96 -0.00 0.00 0.10 0.00 0.00 34.13 32.33 2o1c s GLU 110 CO 0.06 -1.18 0.18 -0.98 0.02 0.00 0.00 175.26 173.36 2o1c s ARG 111 N -3.79 0.76 0.43 1.61 1.70 -1.26 -5.13 118.95 113.28 2o1c s ARG 111 Ca 0.70 -0.82 -0.26 0.00 -0.47 0.00 0.00 55.73 54.88 2o1c s ARG 111 Cb -0.23 0.31 -0.09 0.00 -0.57 0.00 0.00 34.95 34.38 2o1c s ARG 111 CO 0.37 -0.23 1.43 -0.65 -1.08 0.00 0.00 175.30 175.14 2o1c s GLN 112 N -3.28 3.78 -0.14 3.89 -0.21 -1.26 -5.00 119.66 117.43 2o1c s GLN 112 Ca 0.01 2.43 0.00 0.00 0.02 0.00 0.00 55.36 57.82 2o1c s GLN 112 Cb 0.02 -2.72 -0.01 0.00 1.00 0.00 0.00 33.01 31.31 2o1c s GLN 112 CO -0.08 -0.75 -0.15 0.42 -2.12 0.00 0.00 175.29 172.62 2o1c s ILE 113 N -1.19 2.81 -0.60 1.08 -1.09 -1.26 -5.07 121.20 115.88 2o1c s ILE 113 Ca 0.59 -0.73 -0.21 0.00 -2.23 0.00 0.00 60.65 58.07 2o1c s ILE 113 Cb -0.44 -2.18 0.08 0.00 -1.58 0.00 0.00 42.46 38.34 2o1c s ILE 113 CO 0.57 0.52 0.80 0.68 -1.23 0.00 0.00 174.94 176.28 2o1c s VAL 114 N 0.58 4.62 0.04 2.92 -7.23 -1.26 -5.03 120.40 115.05 2o1c s VAL 114 Ca -0.09 -0.57 -0.02 0.00 -1.81 0.00 0.00 61.98 59.48 2o1c s VAL 114 Cb -0.16 -4.53 -0.04 0.00 0.56 0.00 0.00 36.38 32.21 2o1c s VAL 114 CO 0.03 -1.18 0.23 0.72 -0.31 0.00 0.00 175.10 174.59 2o1c s PHE 115 N 3.26 3.53 0.00 2.82 -0.71 -1.26 -3.63 117.98 121.99 2o1c s PHE 115 Ca 0.17 0.37 0.00 0.00 -1.04 0.00 0.00 56.93 56.43 2o1c s PHE 115 Cb -0.20 -1.85 0.00 0.00 -1.21 0.00 0.00 43.02 39.77 2o1c s PHE 115 CO 0.10 0.59 0.00 0.25 -1.34 0.00 0.00 175.22 174.82 2o1c n THR 116 N 0.58 0.00 0.02 -4.49 -2.24 -1.06 -4.82 114.28 102.28 2o1c n THR 116 Ca -0.07 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.72 2o1c n THR 116 Cb 0.52 -0.81 -0.02 0.00 -2.10 0.00 0.00 70.33 67.92 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 -1.93 1.30 -2.83 -0.78 1.02 -1.26 -5.04 120.64 111.12 2o1c n GLU 117 Ca 0.00 -0.02 -0.20 0.00 -0.02 0.00 0.00 57.16 56.92 2o1c n GLU 117 Cb 0.44 -0.97 0.06 0.00 -0.02 0.00 0.00 31.44 30.94 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 -1.99 2.03 -0.15 -0.32 3.76 -1.26 -4.30 115.29 113.06 2o1c s HIS 118 Ca -0.01 -0.40 0.20 0.00 -0.15 0.00 0.00 55.06 54.71 2o1c s HIS 118 Cb 0.02 -2.56 -0.15 0.00 1.11 0.00 0.00 32.58 31.00 2o1c s HIS 118 CO 0.11 -1.10 0.76 1.28 -0.85 0.00 0.00 174.74 174.94 2o1c n LEU 119 N -2.34 0.58 -3.61 0.89 4.77 0.13 -4.91 117.00 112.50 2o1c n LEU 119 Ca 0.12 0.24 -0.02 0.00 -0.03 0.00 0.00 56.01 56.32 2o1c n LEU 119 Cb 0.60 0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.73 2o1c n LEU 119 CO 0.41 0.02 0.99 0.00 -1.33 0.00 0.00 177.39 177.48 2o1c s ALA 120 N -3.19 -2.10 0.04 -1.18 0.00 -1.26 -4.99 121.76 109.08 2o1c s ALA 120 Ca -0.04 1.05 -0.02 0.00 0.00 0.00 0.00 51.96 52.95 2o1c s ALA 120 Cb 0.10 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.38 2o1c s ALA 120 CO 0.83 -0.84 -0.00 1.52 0.00 0.00 0.00 175.76 177.26 2o1c s TYR 121 N -2.53 0.36 0.00 0.00 1.13 -1.26 -1.29 117.35 113.76 2o1c s TYR 121 Ca 0.11 -0.76 -0.00 0.00 -1.41 0.00 0.00 57.07 55.01 2o1c s TYR 121 Cb 0.02 -0.27 -0.00 0.00 -1.10 0.00 0.00 41.96 40.60 2o1c s TYR 121 CO -0.04 -0.31 -0.00 0.15 -2.51 0.00 0.00 175.55 172.84 2o1c s LYS 122 N -2.78 0.08 -0.27 -3.49 1.02 0.02 -5.00 119.74 109.32 2o1c s LYS 122 Ca -0.04 -0.14 -0.15 0.00 0.02 0.00 0.00 55.97 55.66 2o1c s LYS 122 Cb -0.00 0.03 -0.03 0.00 -0.52 0.00 0.00 37.83 37.30 2o1c s LYS 122 CO -0.06 -0.01 0.40 -1.58 -0.92 0.00 0.00 175.35 173.18 2o1c s TRP 123 N -0.35 3.25 0.04 3.18 0.52 -1.26 -0.49 118.94 123.83 2o1c s TRP 123 Ca -0.04 0.43 0.06 0.00 0.02 0.00 0.00 56.10 56.57 2o1c s TRP 123 Cb -0.02 -2.60 -0.02 0.00 -1.15 0.00 0.00 33.47 29.67 2o1c s TRP 123 CO -0.00 -0.25 -0.16 -0.51 0.02 0.00 0.00 176.95 176.05 2o1c s LEU 124 N 2.11 2.18 0.49 2.99 1.43 -0.46 -4.89 118.68 122.53 2o1c s LEU 124 Ca 0.16 -0.48 -0.21 0.00 -1.03 0.00 0.00 54.13 52.56 2o1c s LEU 124 Cb -0.16 -0.70 -0.09 0.00 0.03 0.00 0.00 46.19 45.27 2o1c s LEU 124 CO 0.10 0.06 0.83 -0.90 0.23 0.00 0.00 176.35 176.67 2o1c n ASP 125 N 1.85 0.35 -0.21 2.29 5.68 -1.26 0.06 116.55 125.31 2o1c n ASP 125 Ca -0.18 0.90 -0.06 0.00 -0.50 0.00 0.00 54.79 54.96 2o1c n ASP 125 Cb 0.54 -1.29 0.04 0.00 -1.14 0.00 0.00 41.12 39.28 2o1c n ASP 125 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2o1c h ALA 126 N 0.92 0.76 -0.91 2.12 0.00 -1.93 -0.82 119.26 119.40 2o1c h ALA 126 Ca -0.45 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.50 2o1c h ALA 126 Cb 1.37 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.86 2o1c h ALA 126 CO 0.53 0.18 0.57 -1.35 0.00 0.00 0.00 179.25 179.17 2o1c h PRO 127 N 0.80 0.98 -0.72 0.00 0.11 -1.94 0.16 132.00 131.38 2o1c h PRO 127 Ca 0.22 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.23 2o1c h PRO 127 Cb -0.07 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 30.78 2o1c h PRO 127 CO -0.06 0.65 0.28 0.00 -0.21 0.00 0.00 178.00 178.66 2o1c h ALA 128 N 1.44 1.12 -0.05 -0.75 0.00 -1.65 -1.03 119.26 118.34 2o1c h ALA 128 Ca 0.40 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2o1c h ALA 128 Cb 0.22 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2o1c h ALA 128 CO -0.19 0.62 -0.01 0.00 0.00 0.00 0.00 179.25 179.67 2o1c h ALA 129 N 1.25 0.07 -0.82 0.00 0.00 -0.63 -1.15 119.26 117.97 2o1c h ALA 129 Ca 0.24 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.99 2o1c h ALA 129 Cb 0.22 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 2o1c h ALA 129 CO -0.02 -0.23 0.54 0.00 0.00 0.00 0.00 179.25 179.54 2o1c h ALA 130 N 0.67 1.49 -0.08 0.00 0.00 -0.91 -2.06 119.26 118.36 2o1c h ALA 130 Ca 0.01 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 2o1c h ALA 130 Cb 0.39 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2o1c h ALA 130 CO 0.00 0.44 -0.53 0.00 0.00 0.00 0.00 179.25 179.16 2o1c h ALA 131 N 1.52 0.96 0.05 0.00 0.00 -1.02 -3.32 119.26 117.44 2o1c h ALA 131 Ca 0.32 -0.49 -0.23 0.00 0.00 0.00 0.00 54.91 54.51 2o1c h ALA 131 Cb 0.01 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.74 2o1c h ALA 131 CO -0.09 0.68 -0.93 1.25 0.00 0.00 0.00 179.25 180.15 2o1c h LEU 132 N 0.17 0.73 -9.97 0.00 5.85 -0.57 -3.46 115.31 108.06 2o1c h LEU 132 Ca 0.00 -0.79 -0.54 0.00 0.84 0.00 0.00 57.88 57.39 2o1c h LEU 132 Cb 0.99 -0.23 0.11 0.00 0.37 0.00 0.00 40.66 41.91 2o1c h LEU 132 CO 0.08 1.44 0.71 0.28 -0.34 0.00 0.00 178.44 180.61 2o1c s THR 133 N -3.09 2.15 -0.46 1.05 -1.32 -0.84 -4.69 115.64 108.43 2o1c s THR 133 Ca -0.11 0.13 0.24 0.00 -1.21 0.00 0.00 61.69 60.74 2o1c s THR 133 Cb 0.05 -3.08 0.33 0.00 -1.51 0.00 0.00 72.50 68.29 2o1c s THR 133 CO 0.88 0.02 1.64 0.11 -2.21 0.00 0.00 174.62 175.07 2o1c h LYS 134 N 2.57 0.00 -6.07 7.08 1.57 -1.87 -3.45 116.57 116.40 2o1c h LYS 134 Ca -0.51 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 57.68 2o1c h LYS 134 Cb 1.26 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.48 2o1c h LYS 134 CO 0.62 0.00 0.62 0.45 -0.57 0.00 0.00 179.45 180.57 2o1c s SER 135 N -5.96 6.75 0.28 0.86 0.15 -1.26 -4.95 113.70 109.57 2o1c s SER 135 Ca 0.07 0.73 -0.03 0.00 0.70 0.00 0.00 55.95 57.43 2o1c s SER 135 Cb 0.06 -2.47 0.40 0.00 -1.71 0.00 0.00 66.02 62.30 2o1c s SER 135 CO 0.65 -0.80 1.93 4.11 1.20 0.00 0.00 173.24 180.34 2o1c h TRP 136 N 8.27 1.13 -0.34 3.44 5.08 -1.97 -0.20 115.95 131.36 2o1c h TRP 136 Ca -0.23 0.03 -0.08 0.00 1.08 0.00 0.00 58.89 59.69 2o1c h TRP 136 Cb 1.08 -0.38 -0.01 0.00 -3.00 0.00 0.00 29.16 26.85 2o1c h TRP 136 CO 0.82 0.67 -0.09 0.66 -1.28 0.00 0.00 178.44 179.22 2o1c h SER 137 N 1.18 0.67 -0.60 0.11 4.64 -1.99 -0.00 113.55 117.56 2o1c h SER 137 Ca 0.36 -0.37 0.03 0.00 -0.47 0.00 0.00 61.79 61.34 2o1c h SER 137 Cb -0.03 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 61.84 2o1c h SER 137 CO -0.10 0.89 0.36 -1.13 -0.87 0.00 0.00 176.83 175.98 2o1c h ASN 138 N 0.45 0.59 -0.03 4.97 -0.00 -1.89 -0.48 115.58 119.19 2o1c h ASN 138 Ca 0.09 0.00 0.01 0.00 -0.00 0.00 0.00 56.30 56.40 2o1c h ASN 138 Cb 0.60 -0.12 -0.01 0.00 -0.00 0.00 0.00 38.32 38.79 2o1c h ASN 138 CO 0.04 0.41 -0.03 -0.09 -0.00 0.00 0.00 177.43 177.76 2o1c h ARG 139 N 0.72 -0.03 -0.52 6.67 2.43 -0.81 -2.23 114.38 120.60 2o1c h ARG 139 Ca 0.24 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.38 2o1c h ARG 139 Cb 0.03 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 2o1c h ARG 139 CO -0.11 -0.02 0.17 0.37 -1.51 0.00 0.00 179.97 178.87 2o1c h GLN 140 N -0.03 0.78 -0.40 0.20 4.15 -0.63 -1.39 115.11 117.77 2o1c h GLN 140 Ca 0.02 -0.13 -0.13 0.00 0.77 0.00 0.00 58.65 59.18 2o1c h GLN 140 Cb 0.06 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 2o1c h GLN 140 CO -0.05 0.67 -0.25 0.00 -1.93 0.00 0.00 178.83 177.27 2o1c h ALA 141 N 1.42 0.58 -0.31 3.38 0.00 -0.97 -0.68 119.26 122.68 2o1c h ALA 141 Ca 0.18 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.70 2o1c h ALA 141 Cb 0.22 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2o1c h ALA 141 CO -0.01 0.58 0.19 0.82 0.00 0.00 0.00 179.25 180.83 2o1c h ILE 142 N 0.70 1.04 -0.57 0.00 2.04 -1.03 -0.63 117.51 119.06 2o1c h ILE 142 Ca 0.08 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 2o1c h ILE 142 Cb 0.82 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 2o1c h ILE 142 CO 0.07 0.07 0.24 -0.33 0.00 0.00 0.00 178.15 178.20 2o1c h GLU 143 N 0.38 0.84 0.04 2.37 5.08 -1.06 -0.88 114.58 121.35 2o1c h GLU 143 Ca 0.12 -0.14 -0.24 0.00 -1.00 0.00 0.00 59.36 58.10 2o1c h GLU 143 Cb -0.01 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 2o1c h GLU 143 CO -0.05 0.71 -1.21 1.96 -1.00 0.00 0.00 179.01 179.41 2o1c h GLN 144 N 0.78 0.07 -0.00 2.33 4.20 -1.08 -0.40 115.11 121.01 2o1c h GLN 144 Ca 0.19 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2o1c h GLN 144 Cb 0.17 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.00 2o1c h GLN 144 CO -0.02 0.97 -0.08 1.19 -0.67 0.00 0.00 178.83 180.22 2o1c n PHE 145 N -3.35 0.00 0.02 2.96 3.72 -0.25 -4.16 117.46 116.40 2o1c n PHE 145 Ca -0.06 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.33 2o1c n PHE 145 Cb 0.98 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.52 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 -0.29 1.11 -0.06 -4.37 0.31 -0.44 -4.83 118.33 109.76 2o1c n VAL 146 Ca 0.02 0.32 -0.11 0.00 -0.01 0.00 0.00 64.34 64.57 2o1c n VAL 146 Cb 0.10 -1.65 -0.04 0.00 -0.91 0.00 0.00 33.84 31.34 2o1c n VAL 146 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2o1c h ILE 147 N -0.16 1.17 0.00 2.52 2.04 -1.37 -3.50 117.51 118.21 2o1c h ILE 147 Ca 0.00 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.34 2o1c h ILE 147 Cb 0.16 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 2o1c h ILE 147 CO 0.00 0.17 0.00 0.59 0.00 0.00 0.00 178.15 178.91