#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o1c s ARG 8 N 0.00 4.12 0.00 1.97 3.03 -1.26 -4.43 118.95 122.38 2o1c s ARG 8 Ca 0.00 -0.05 -0.02 0.00 2.03 0.00 0.00 55.73 57.69 2o1c s ARG 8 Cb 0.00 -3.53 -0.08 0.00 -1.03 0.00 0.00 34.95 30.31 2o1c s ARG 8 CO 0.00 0.03 2.35 -0.35 -1.13 0.00 0.00 175.30 176.19 2o1c n PRO 9 N 4.33 1.22 -4.05 3.89 -0.04 -1.26 -4.78 135.00 134.31 2o1c n PRO 9 Ca -0.12 -0.30 -0.22 0.00 -0.04 0.00 0.00 63.50 62.82 2o1c n PRO 9 Cb 0.52 -1.33 -0.17 0.00 -0.04 0.00 0.00 33.50 32.47 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 0.47 0.62 0.22 0.52 1.01 -1.26 -1.39 120.40 120.59 2o1c s VAL 10 Ca 0.20 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.06 2o1c s VAL 10 Cb 0.09 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.77 2o1c s VAL 10 CO 0.00 0.27 0.19 -0.94 0.00 0.00 0.00 175.10 174.62 2o1c s SER 11 N 1.31 0.35 0.20 3.32 1.04 0.49 -0.75 113.70 119.67 2o1c s SER 11 Ca -0.04 -1.40 0.08 0.00 0.48 0.00 0.00 55.95 55.06 2o1c s SER 11 Cb -0.14 0.43 -0.05 0.00 0.10 0.00 0.00 66.02 66.37 2o1c s SER 11 CO -0.02 -0.91 -0.14 0.27 0.98 0.00 0.00 173.24 173.42 2o1c s ILE 12 N -4.02 1.72 -0.04 -1.02 -5.25 0.54 -1.63 121.20 111.50 2o1c s ILE 12 Ca 0.38 -2.21 0.01 0.00 -0.99 0.00 0.00 60.65 57.84 2o1c s ILE 12 Cb 0.06 -2.05 0.02 0.00 2.95 0.00 0.00 42.46 43.43 2o1c s ILE 12 CO 0.14 -0.59 -0.06 -0.22 -1.79 0.00 0.00 174.94 172.42 2o1c s LEU 13 N -3.31 1.47 -0.26 0.37 2.96 -0.36 -2.49 118.68 117.06 2o1c s LEU 13 Ca 0.22 -0.15 0.02 0.00 -0.22 0.00 0.00 54.13 54.01 2o1c s LEU 13 Cb -0.01 -0.48 0.06 0.00 0.50 0.00 0.00 46.19 46.27 2o1c s LEU 13 CO 0.07 -0.02 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.32 2o1c s VAL 14 N 0.71 1.89 -0.65 1.68 1.01 0.06 -0.12 120.40 124.99 2o1c s VAL 14 Ca -0.10 -1.53 -0.28 0.00 0.00 0.00 0.00 61.98 60.08 2o1c s VAL 14 Cb -0.13 -2.11 0.03 0.00 0.00 0.00 0.00 36.38 34.17 2o1c s VAL 14 CO 0.01 -0.12 1.26 -0.69 0.00 0.00 0.00 175.10 175.55 2o1c s VAL 15 N 1.21 3.86 -0.05 2.92 1.01 0.43 -2.48 120.40 127.30 2o1c s VAL 15 Ca -0.06 0.67 -0.19 0.00 0.00 0.00 0.00 61.98 62.40 2o1c s VAL 15 Cb -0.19 -4.78 -0.05 0.00 0.00 0.00 0.00 36.38 31.36 2o1c s VAL 15 CO -0.06 -1.54 0.54 -0.63 0.00 0.00 0.00 175.10 173.41 2o1c s ILE 16 N 5.43 5.03 0.17 2.22 1.01 -1.26 -0.78 121.20 133.02 2o1c s ILE 16 Ca 0.41 1.11 -0.13 0.00 0.00 0.00 0.00 60.65 62.04 2o1c s ILE 16 Cb -0.08 -3.88 0.01 0.00 0.01 0.00 0.00 42.46 38.52 2o1c s ILE 16 CO 0.21 0.39 0.39 -0.72 0.00 0.00 0.00 174.94 175.21 2o1c s TYR 17 N 0.08 0.14 -0.13 3.97 1.13 -0.50 -1.24 117.35 120.80 2o1c s TYR 17 Ca 0.29 -0.50 -0.15 0.00 -1.41 0.00 0.00 57.07 55.30 2o1c s TYR 17 Cb -0.17 0.15 -0.05 0.00 -1.10 0.00 0.00 41.96 40.79 2o1c s TYR 17 CO 0.14 -0.79 0.37 0.00 -2.51 0.00 0.00 175.55 172.76 2o1c s ALA 18 N -3.92 3.56 0.32 9.51 0.00 -0.06 -0.74 121.76 130.43 2o1c s ALA 18 Ca 0.12 -0.33 0.04 0.00 0.00 0.00 0.00 51.96 51.79 2o1c s ALA 18 Cb 0.01 -2.48 0.54 0.00 0.00 0.00 0.00 23.12 21.19 2o1c s ALA 18 CO -0.02 0.11 1.82 1.96 0.00 0.00 0.00 175.76 179.63 2o1c h GLN 19 N 6.45 0.51 0.03 0.00 4.20 -0.51 -0.93 115.11 124.85 2o1c h GLN 19 Ca -0.42 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.15 2o1c h GLN 19 Cb 1.18 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.90 2o1c h GLN 19 CO 0.74 0.60 -0.01 0.38 -0.67 0.00 0.00 178.83 179.87 2o1c h ASP 20 N 0.47 -0.03 0.45 1.46 2.03 -1.78 -3.38 116.42 115.65 2o1c h ASP 20 Ca 0.09 -0.71 0.00 0.00 -0.73 0.00 0.00 57.03 55.69 2o1c h ASP 20 Cb 0.45 0.01 0.00 0.00 -0.83 0.00 0.00 39.33 38.96 2o1c h ASP 20 CO 0.02 0.76 -0.75 0.35 -1.03 0.00 0.00 179.24 178.60 2o1c n THR 21 N -4.72 0.09 -1.33 1.15 -2.24 -1.25 -4.95 114.28 101.04 2o1c n THR 21 Ca -0.08 -0.11 -0.11 0.00 -2.27 0.00 0.00 64.05 61.48 2o1c n THR 21 Cb 0.36 0.30 -0.05 0.00 -2.10 0.00 0.00 70.33 68.84 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 -1.71 -1.48 -2.72 -0.78 4.76 -0.35 -4.93 118.16 110.94 2o1c n LYS 22 Ca 0.04 0.87 -0.35 0.00 -2.87 0.00 0.00 58.31 56.01 2o1c n LYS 22 Cb 0.38 -5.18 -0.06 0.00 -1.84 0.00 0.00 35.03 28.33 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 -2.86 4.22 -0.12 1.97 0.52 -1.25 -3.81 118.95 117.61 2o1c s ARG 23 Ca 0.00 1.26 -0.03 0.00 -0.52 0.00 0.00 55.73 56.44 2o1c s ARG 23 Cb 0.00 -2.35 -0.03 0.00 0.52 0.00 0.00 34.95 33.09 2o1c s ARG 23 CO 0.00 -0.05 -0.01 0.08 0.02 0.00 0.00 175.30 175.34 2o1c s VAL 24 N -1.95 4.18 -0.31 3.52 1.01 0.16 -0.88 120.40 126.13 2o1c s VAL 24 Ca 0.60 -0.27 -0.29 0.00 0.00 0.00 0.00 61.98 62.01 2o1c s VAL 24 Cb -0.14 -2.80 -0.00 0.00 0.00 0.00 0.00 36.38 33.43 2o1c s VAL 24 CO 0.19 0.54 1.44 -0.22 0.00 0.00 0.00 175.10 177.05 2o1c s LEU 25 N -0.25 3.79 -0.08 3.92 2.96 -0.37 -1.68 118.68 126.96 2o1c s LEU 25 Ca 0.05 1.22 0.02 0.00 -0.22 0.00 0.00 54.13 55.21 2o1c s LEU 25 Cb -0.12 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.01 2o1c s LEU 25 CO 0.02 -1.25 -0.13 -0.04 -1.32 0.00 0.00 176.35 173.63 2o1c s MET 26 N 4.58 2.85 -0.08 1.98 -1.94 -0.00 -4.43 119.30 122.26 2o1c s MET 26 Ca 0.63 -0.68 0.04 0.00 -1.71 0.00 0.00 55.69 53.97 2o1c s MET 26 Cb -0.18 -2.49 -0.01 0.00 2.01 0.00 0.00 34.83 34.15 2o1c s MET 26 CO 0.28 0.48 -0.21 -0.51 -0.01 0.00 0.00 175.02 175.04 2o1c s LEU 27 N -0.34 2.27 -0.30 -0.03 1.43 0.26 -1.08 118.68 120.88 2o1c s LEU 27 Ca 0.03 -0.45 -0.21 0.00 -1.03 0.00 0.00 54.13 52.48 2o1c s LEU 27 Cb -0.13 -1.44 -0.01 0.00 0.03 0.00 0.00 46.19 44.64 2o1c s LEU 27 CO 0.02 0.23 0.65 -1.58 0.23 0.00 0.00 176.35 175.90 2o1c s GLN 28 N -0.05 3.91 0.56 1.70 0.74 -0.19 -1.25 119.66 125.08 2o1c s GLN 28 Ca -0.06 0.34 -0.21 0.00 0.05 0.00 0.00 55.36 55.48 2o1c s GLN 28 Cb -0.15 -3.73 -0.04 0.00 1.10 0.00 0.00 33.01 30.20 2o1c s GLN 28 CO 0.05 -0.58 1.31 1.03 -0.55 0.00 0.00 175.29 176.54 2o1c s ARG 29 N 2.65 3.06 0.24 1.67 0.52 -0.21 0.18 118.95 127.07 2o1c s ARG 29 Ca 0.26 2.11 0.22 0.00 -0.52 0.00 0.00 55.73 57.80 2o1c s ARG 29 Cb -0.15 -2.15 0.06 0.00 0.52 0.00 0.00 34.95 33.23 2o1c s ARG 29 CO 0.12 -1.21 1.15 -0.09 0.02 0.00 0.00 175.30 175.29 2o1c h ARG 30 N 1.26 0.00 0.00 3.54 2.43 -1.91 -3.08 114.38 116.63 2o1c h ARG 30 Ca -0.51 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.45 2o1c h ARG 30 Cb 1.30 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.82 2o1c h ARG 30 CO 0.56 0.05 -1.72 -0.40 -1.51 0.00 0.00 179.97 176.96 2o1c n ASP 31 N -2.81 0.59 -3.43 -3.80 5.68 -1.26 -4.74 116.55 106.79 2o1c n ASP 31 Ca -0.00 0.27 -0.23 0.00 -0.50 0.00 0.00 54.79 54.32 2o1c n ASP 31 Cb 0.58 0.50 -0.11 0.00 -1.14 0.00 0.00 41.12 40.96 2o1c n ASP 31 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2o1c s ASP 32 N -5.63 2.24 0.00 -1.12 -1.08 -1.25 -5.02 116.67 104.81 2o1c s ASP 32 Ca -0.05 -1.71 0.01 0.00 -0.52 0.00 0.00 52.55 50.28 2o1c s ASP 32 Cb 0.09 0.05 0.06 0.00 -1.46 0.00 0.00 42.92 41.67 2o1c s ASP 32 CO 0.83 -0.31 1.01 -2.65 0.52 0.00 0.00 175.17 174.56 2o1c n PRO 33 N 4.39 0.00 0.03 4.34 -0.02 -1.16 -0.33 135.00 142.25 2o1c n PRO 33 Ca 0.08 0.44 0.13 0.00 -2.02 0.00 0.00 63.50 62.13 2o1c n PRO 33 Cb 0.42 -1.50 0.39 0.00 -0.02 0.00 0.00 33.50 32.78 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 -1.46 0.41 -4.45 2.55 8.00 -1.26 -4.75 116.55 115.59 2o1c n ASP 34 Ca 0.00 0.21 -0.44 0.00 0.71 0.00 0.00 54.79 55.28 2o1c n ASP 34 Cb 0.02 -0.19 -0.08 0.00 -0.02 0.00 0.00 41.12 40.85 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 -3.05 3.16 -0.10 1.24 2.19 0.55 -4.81 117.98 117.17 2o1c s PHE 35 Ca 0.11 -0.56 -0.02 0.00 0.33 0.00 0.00 56.93 56.79 2o1c s PHE 35 Cb 0.16 -3.09 -0.03 0.00 -1.31 0.00 0.00 43.02 38.75 2o1c s PHE 35 CO 0.63 -0.80 0.01 -1.58 1.83 0.00 0.00 175.22 175.31 2o1c s TRP 36 N 2.10 3.18 0.20 10.12 0.52 -1.26 -1.04 118.94 132.76 2o1c s TRP 36 Ca 0.10 0.18 -0.12 0.00 0.02 0.00 0.00 56.10 56.28 2o1c s TRP 36 Cb -0.19 -1.82 0.00 0.00 -1.15 0.00 0.00 33.47 30.31 2o1c s TRP 36 CO 0.11 0.44 0.41 1.14 0.02 0.00 0.00 176.95 179.07 2o1c s GLN 37 N -0.77 1.33 0.00 4.98 -2.07 -0.38 -3.95 119.66 118.80 2o1c s GLN 37 Ca 0.12 -1.11 0.00 0.00 -1.82 0.00 0.00 55.36 52.55 2o1c s GLN 37 Cb -0.12 0.44 0.00 0.00 -1.09 0.00 0.00 33.01 32.25 2o1c s GLN 37 CO 0.02 -0.53 0.00 0.43 -1.32 0.00 0.00 175.29 173.89 2o1c n SER 38 N -0.30 -0.01 -4.68 12.60 7.64 -1.26 -0.58 113.62 127.03 2o1c n SER 38 Ca -0.07 -0.71 -0.43 0.00 1.01 0.00 0.00 58.87 58.68 2o1c n SER 38 Cb 0.63 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.80 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 -0.71 4.76 0.13 0.44 1.01 -1.04 -4.85 120.40 120.13 2o1c s VAL 39 Ca 0.00 2.03 0.06 0.00 0.00 0.00 0.00 61.98 64.08 2o1c s VAL 39 Cb 0.00 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 2o1c s VAL 39 CO 0.00 -0.01 -0.15 0.42 0.00 0.00 0.00 175.10 175.36 2o1c s THR 40 N 2.12 1.40 -0.11 3.92 -4.23 -1.26 -0.76 115.64 116.72 2o1c s THR 40 Ca 0.48 -1.72 -0.33 0.00 -1.18 0.00 0.00 61.69 58.94 2o1c s THR 40 Cb -0.18 -1.56 0.12 0.00 1.34 0.00 0.00 72.50 72.22 2o1c s THR 40 CO 0.17 -0.38 1.11 -0.83 -0.54 0.00 0.00 174.62 174.15 2o1c s GLY 41 N -2.44 -0.35 0.34 3.99 0.00 -1.04 -4.99 107.32 102.84 2o1c s GLY 41 Ca 0.09 1.31 -0.25 0.00 0.00 0.00 0.00 44.72 45.87 2o1c s GLY 41 CO 0.03 0.42 0.94 -0.56 0.00 0.00 0.00 173.10 173.94 2o1c s SER 42 N -2.36 7.25 -0.30 1.64 0.01 -1.26 -0.34 113.70 118.35 2o1c s SER 42 Ca 0.08 1.80 -0.21 0.00 1.31 0.00 0.00 55.95 58.93 2o1c s SER 42 Cb -0.01 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.65 2o1c s SER 42 CO -0.06 -0.12 0.66 -0.69 0.41 0.00 0.00 173.24 173.44 2o1c s VAL 43 N -1.73 4.92 0.52 3.43 1.01 0.07 -4.85 120.40 123.77 2o1c s VAL 43 Ca 0.52 0.95 -0.04 0.00 0.00 0.00 0.00 61.98 63.41 2o1c s VAL 43 Cb -0.17 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.19 2o1c s VAL 43 CO 0.21 -0.14 0.80 -1.61 0.00 0.00 0.00 175.10 174.36 2o1c s GLU 44 N 2.66 3.13 0.13 2.72 0.41 -1.26 -4.85 118.70 121.64 2o1c s GLU 44 Ca 0.27 -0.09 -0.35 0.00 -0.41 0.00 0.00 54.97 54.38 2o1c s GLU 44 Cb -0.15 -2.39 -0.16 0.00 -1.78 0.00 0.00 34.13 29.65 2o1c s GLU 44 CO 0.11 -0.43 1.30 -1.91 -0.49 0.00 0.00 175.26 173.84 2o1c n GLU 45 N -2.34 1.24 -1.00 1.61 4.07 -1.26 -1.76 120.64 121.20 2o1c n GLU 45 Ca 0.02 0.45 0.00 0.00 -0.06 0.00 0.00 57.16 57.57 2o1c n GLU 45 Cb 0.57 -2.05 0.00 0.00 -0.06 0.00 0.00 31.44 29.90 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 2.39 0.58 3.49 8.31 0.00 -1.26 -5.03 105.19 113.67 2o1c n GLY 46 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 2o1c n GLY 46 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2o1c s GLU 47 N -0.02 3.00 0.82 1.61 2.02 -0.72 -5.09 118.70 120.31 2o1c s GLU 47 Ca 0.00 -0.61 -0.12 0.00 0.02 0.00 0.00 54.97 54.26 2o1c s GLU 47 Cb 0.00 -2.61 0.08 0.00 0.10 0.00 0.00 34.13 31.71 2o1c s GLU 47 CO 0.00 0.48 1.15 0.95 0.02 0.00 0.00 175.26 177.86 2o1c s THR 48 N -0.31 2.26 0.14 3.63 -4.23 -1.26 -4.73 115.64 111.14 2o1c s THR 48 Ca 0.04 0.09 -0.18 0.00 -1.18 0.00 0.00 61.69 60.46 2o1c s THR 48 Cb -0.13 -3.01 -0.01 0.00 1.34 0.00 0.00 72.50 70.69 2o1c s THR 48 CO 0.02 -0.11 1.76 0.00 -0.54 0.00 0.00 174.62 175.75 2o1c h ALA 49 N -1.10 0.34 -0.86 3.99 0.00 -1.97 -1.32 119.26 118.32 2o1c h ALA 49 Ca -0.47 0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.54 2o1c h ALA 49 Cb 1.32 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.04 2o1c h ALA 49 CO 0.64 -0.29 0.52 -1.35 0.00 0.00 0.00 179.25 178.78 2o1c h PRO 50 N 0.25 0.89 -0.66 0.00 0.11 -1.99 -1.18 132.00 129.42 2o1c h PRO 50 Ca 0.13 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.14 2o1c h PRO 50 Cb 0.08 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 30.96 2o1c h PRO 50 CO -0.12 0.59 0.25 1.96 -0.21 0.00 0.00 178.00 180.47 2o1c h GLN 51 N 0.92 1.00 -0.63 1.05 4.20 -1.87 -0.58 115.11 119.20 2o1c h GLN 51 Ca 0.39 -0.19 -0.04 0.00 0.06 0.00 0.00 58.65 58.88 2o1c h GLN 51 Cb 0.26 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 2o1c h GLN 51 CO -0.20 0.84 0.25 0.00 -0.67 0.00 0.00 178.83 179.05 2o1c h ALA 52 N 1.11 0.82 -0.22 3.87 0.00 -1.01 -2.06 119.26 121.76 2o1c h ALA 52 Ca 0.22 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2o1c h ALA 52 Cb 0.23 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2o1c h ALA 52 CO -0.02 0.43 0.12 0.00 0.00 0.00 0.00 179.25 179.79 2o1c h ALA 53 N 1.10 0.28 -0.44 0.00 0.00 -0.95 -0.51 119.26 118.74 2o1c h ALA 53 Ca 0.21 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.10 2o1c h ALA 53 Cb 0.21 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2o1c h ALA 53 CO -0.02 -0.18 0.19 0.52 0.00 0.00 0.00 179.25 179.76 2o1c h MET 54 N 0.24 0.38 0.09 0.00 2.07 -1.04 -1.32 114.93 115.35 2o1c h MET 54 Ca 0.08 -0.02 -0.00 0.00 -2.07 0.00 0.00 59.70 57.68 2o1c h MET 54 Cb 0.08 -0.08 0.00 0.00 -1.87 0.00 0.00 31.60 29.72 2o1c h MET 54 CO -0.01 0.25 -0.04 -0.09 1.07 0.00 0.00 176.91 178.09 2o1c h ARG 55 N 0.39 -0.11 -0.98 1.72 2.43 -1.20 -2.48 114.38 114.14 2o1c h ARG 55 Ca 0.20 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.40 2o1c h ARG 55 Cb 0.15 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.68 2o1c h ARG 55 CO -0.17 -0.07 0.65 0.93 -1.51 0.00 0.00 179.97 179.80 2o1c h GLU 56 N -0.12 1.26 -0.39 0.20 4.39 -0.90 -0.69 114.58 118.34 2o1c h GLU 56 Ca -0.01 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.56 2o1c h GLU 56 Cb 0.09 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 28.45 2o1c h GLU 56 CO 0.02 0.84 0.03 0.28 -1.16 0.00 0.00 179.01 179.01 2o1c h VAL 57 N 1.30 1.25 -0.45 3.13 2.07 -1.17 -0.61 116.25 121.77 2o1c h VAL 57 Ca 0.37 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 2o1c h VAL 57 Cb -0.09 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 2o1c h VAL 57 CO -0.09 0.32 0.26 0.50 0.02 0.00 0.00 177.57 178.57 2o1c h LYS 58 N 0.50 0.62 -0.03 1.57 3.64 -1.01 -2.09 116.57 119.77 2o1c h LYS 58 Ca 0.11 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2o1c h LYS 58 Cb 0.43 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2o1c h LYS 58 CO 0.01 0.48 -0.00 0.93 -2.27 0.00 0.00 179.45 178.60 2o1c h GLU 59 N 0.59 0.05 0.07 1.90 5.08 -1.03 -2.32 114.58 118.92 2o1c h GLU 59 Ca 0.16 -0.02 -0.26 0.00 -1.00 0.00 0.00 59.36 58.24 2o1c h GLU 59 Cb 0.03 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.29 2o1c h GLU 59 CO -0.03 0.36 -1.11 0.93 -1.00 0.00 0.00 179.01 178.16 2o1c h GLU 60 N -0.26 0.43 0.00 2.33 5.08 -1.12 -3.39 114.58 117.65 2o1c h GLU 60 Ca 0.01 -0.56 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 2o1c h GLU 60 Cb 0.34 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2o1c h GLU 60 CO 0.00 1.21 -0.02 0.28 -1.00 0.00 0.00 179.01 179.48 2o1c n VAL 61 N -3.70 0.48 -3.92 3.13 0.31 -0.79 -2.05 118.33 111.79 2o1c n VAL 61 Ca -0.09 -0.49 -0.30 0.00 -0.01 0.00 0.00 64.34 63.45 2o1c n VAL 61 Cb 0.93 0.73 0.02 0.00 -0.91 0.00 0.00 33.84 34.60 2o1c n VAL 61 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2o1c n THR 62 N -0.26 -2.28 -4.03 2.52 -1.04 -0.87 -4.08 114.28 104.24 2o1c n THR 62 Ca 0.01 -0.09 -0.34 0.00 -2.04 0.00 0.00 64.05 61.58 2o1c n THR 62 Cb 0.41 -2.82 -0.15 0.00 -1.82 0.00 0.00 70.33 65.95 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 -3.38 2.57 -0.69 12.58 1.01 -1.22 -4.91 121.20 127.16 2o1c s ILE 63 Ca 0.56 -0.92 -0.16 0.00 0.00 0.00 0.00 60.65 60.12 2o1c s ILE 63 Cb -0.28 -2.20 0.16 0.00 0.01 0.00 0.00 42.46 40.15 2o1c s ILE 63 CO 0.84 0.38 0.69 -0.62 0.00 0.00 0.00 174.94 176.23 2o1c s ASP 64 N 1.33 6.44 0.19 3.58 -1.08 -1.26 -2.67 116.67 123.19 2o1c s ASP 64 Ca 0.03 -2.08 -0.12 0.00 -0.52 0.00 0.00 52.55 49.86 2o1c s ASP 64 Cb -0.15 -2.24 0.11 0.00 -1.46 0.00 0.00 42.92 39.18 2o1c s ASP 64 CO -0.08 -0.82 1.85 0.58 0.52 0.00 0.00 175.17 177.22 2o1c h VAL 65 N 5.48 1.17 -0.03 1.11 2.07 -1.92 -0.40 116.25 123.73 2o1c h VAL 65 Ca -0.11 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 2o1c h VAL 65 Cb 1.07 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2o1c h VAL 65 CO 0.95 0.17 0.01 0.58 0.02 0.00 0.00 177.57 179.30 2o1c h VAL 66 N 0.87 1.14 -0.37 2.57 2.07 -1.92 -1.02 116.25 119.58 2o1c h VAL 66 Ca 0.23 -0.40 -0.07 0.00 0.82 0.00 0.00 66.70 67.28 2o1c h VAL 66 Cb -0.08 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 2o1c h VAL 66 CO -0.05 0.11 -0.06 0.00 0.02 0.00 0.00 177.57 177.59 2o1c h ALA 67 N 0.85 1.21 -0.01 1.67 0.00 -1.90 -2.77 119.26 118.32 2o1c h ALA 67 Ca 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2o1c h ALA 67 Cb 0.17 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2o1c h ALA 67 CO -0.00 0.51 -0.07 0.39 0.00 0.00 0.00 179.25 180.08 2o1c n GLU 68 N -4.22 1.04 -2.39 0.00 1.02 -0.18 -4.91 120.64 110.99 2o1c n GLU 68 Ca 0.01 -0.41 -0.21 0.00 -0.02 0.00 0.00 57.16 56.53 2o1c n GLU 68 Cb 0.30 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.22 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 -0.62 -1.68 -2.63 3.49 6.02 -0.68 -4.99 117.38 116.30 2o1c n GLN 69 Ca 0.18 1.02 -0.32 0.00 -0.01 0.00 0.00 57.00 57.86 2o1c n GLN 69 Cb 0.27 -5.69 -0.05 0.00 1.02 0.00 0.00 30.24 25.79 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 -6.04 3.77 -0.23 1.08 1.43 -0.47 -5.04 118.68 113.18 2o1c s LEU 70 Ca 0.00 1.54 -0.12 0.00 -1.03 0.00 0.00 54.13 54.52 2o1c s LEU 70 Cb 0.00 -4.43 -0.05 0.00 0.03 0.00 0.00 46.19 41.74 2o1c s LEU 70 CO 0.00 -0.47 0.22 -0.89 0.23 0.00 0.00 176.35 175.44 2o1c s THR 71 N -2.42 5.32 -0.53 5.49 2.01 -1.26 -4.66 115.64 119.58 2o1c s THR 71 Ca 0.59 0.32 -0.22 0.00 0.31 0.00 0.00 61.69 62.69 2o1c s THR 71 Cb -0.10 -3.56 0.05 0.00 0.01 0.00 0.00 72.50 68.90 2o1c s THR 71 CO 0.25 0.32 0.78 -0.22 -0.69 0.00 0.00 174.62 175.06 2o1c s LEU 72 N 1.12 4.56 -0.12 4.42 2.96 -1.26 -4.42 118.68 125.95 2o1c s LEU 72 Ca 0.11 -0.67 -0.30 0.00 -0.22 0.00 0.00 54.13 53.05 2o1c s LEU 72 Cb -0.14 -2.61 -0.02 0.00 0.50 0.00 0.00 46.19 43.92 2o1c s LEU 72 CO 0.05 -1.07 1.22 -0.63 -1.32 0.00 0.00 176.35 174.60 2o1c s ILE 73 N 3.29 4.30 -0.31 6.68 1.01 0.06 -4.92 121.20 131.30 2o1c s ILE 73 Ca 0.22 1.59 -0.24 0.00 0.00 0.00 0.00 60.65 62.23 2o1c s ILE 73 Cb -0.16 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.28 2o1c s ILE 73 CO 0.15 -0.07 0.82 -0.62 0.00 0.00 0.00 174.94 175.21 2o1c s ASP 74 N 1.70 6.68 0.02 3.58 -1.08 -1.26 -1.09 116.67 125.21 2o1c s ASP 74 Ca 0.55 0.68 0.20 0.00 -0.52 0.00 0.00 52.55 53.45 2o1c s ASP 74 Cb -0.23 -2.42 0.85 0.00 -1.46 0.00 0.00 42.92 39.66 2o1c s ASP 74 CO 0.18 -0.65 1.64 0.00 0.52 0.00 0.00 175.17 176.85 2o1c n GLN 76 N -1.55 -4.70 -4.16 0.00 6.02 -1.26 -4.98 117.38 106.76 2o1c n GLN 76 Ca 0.05 0.64 -0.24 0.00 -0.01 0.00 0.00 57.00 57.43 2o1c n GLN 76 Cb 0.24 -5.47 -0.17 0.00 1.02 0.00 0.00 30.24 25.86 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 -6.16 1.35 -0.12 -1.09 1.81 -1.26 -5.06 118.95 108.42 2o1c s ARG 77 Ca 0.48 -0.24 0.02 0.00 -1.72 0.00 0.00 55.73 54.27 2o1c s ARG 77 Cb -0.24 -1.32 0.01 0.00 -0.45 0.00 0.00 34.95 32.96 2o1c s ARG 77 CO 0.59 -0.14 -0.17 0.99 -0.68 0.00 0.00 175.30 175.89 2o1c s THR 78 N 1.24 1.65 0.08 0.02 2.01 -1.26 -0.61 115.64 118.77 2o1c s THR 78 Ca -0.05 -0.73 0.09 0.00 0.31 0.00 0.00 61.69 61.31 2o1c s THR 78 Cb -0.14 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 70.84 2o1c s THR 78 CO -0.02 0.47 -0.22 0.54 -0.69 0.00 0.00 174.62 174.70 2o1c s VAL 79 N 0.94 2.57 -0.18 3.82 0.11 0.25 -4.93 120.40 122.97 2o1c s VAL 79 Ca -0.07 -1.43 -0.08 0.00 -2.93 0.00 0.00 61.98 57.47 2o1c s VAL 79 Cb -0.15 -2.11 -0.04 0.00 -1.53 0.00 0.00 36.38 32.55 2o1c s VAL 79 CO -0.02 0.23 0.07 -1.61 -3.33 0.00 0.00 175.10 170.44 2o1c s GLU 80 N -1.72 4.00 0.22 1.54 0.41 -1.26 -0.27 118.70 121.62 2o1c s GLU 80 Ca 0.15 -0.32 0.07 0.00 -0.41 0.00 0.00 54.97 54.45 2o1c s GLU 80 Cb -0.10 -3.24 -0.05 0.00 -1.78 0.00 0.00 34.13 28.95 2o1c s GLU 80 CO 0.06 0.29 -0.10 -0.59 -0.49 0.00 0.00 175.26 174.43 2o1c s PHE 81 N 0.33 1.70 0.02 1.61 -0.12 -0.03 -4.95 117.98 116.55 2o1c s PHE 81 Ca 0.04 -0.66 -0.29 0.00 -0.05 0.00 0.00 56.93 55.97 2o1c s PHE 81 Cb -0.12 -0.86 -0.04 0.00 -0.63 0.00 0.00 43.02 41.37 2o1c s PHE 81 CO -0.00 0.27 0.95 -2.00 -0.05 0.00 0.00 175.22 174.38 2o1c s GLU 82 N -3.70 4.58 -0.05 1.99 2.12 -1.26 0.29 118.70 122.67 2o1c s GLU 82 Ca 0.24 1.37 -0.30 0.00 0.36 0.00 0.00 54.97 56.64 2o1c s GLU 82 Cb 0.01 -3.44 -0.04 0.00 0.26 0.00 0.00 34.13 30.92 2o1c s GLU 82 CO 0.07 0.03 1.38 0.42 -0.54 0.00 0.00 175.26 176.62 2o1c s ILE 83 N 0.74 3.88 0.39 -3.70 1.01 -0.26 -4.86 121.20 118.39 2o1c s ILE 83 Ca 0.49 1.20 -0.25 0.00 0.00 0.00 0.00 60.65 62.09 2o1c s ILE 83 Cb -0.21 -3.77 -0.12 0.00 0.01 0.00 0.00 42.46 38.37 2o1c s ILE 83 CO 0.27 -0.03 1.00 0.49 0.00 0.00 0.00 174.94 176.67 2o1c n PHE 84 N 5.80 1.17 -0.33 3.97 3.72 -1.26 -4.75 117.46 125.77 2o1c n PHE 84 Ca 0.13 0.59 0.10 0.00 -0.05 0.00 0.00 57.45 58.23 2o1c n PHE 84 Cb 0.44 -2.23 0.27 0.00 -0.94 0.00 0.00 39.48 37.02 2o1c n PHE 84 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2o1c h SER 85 N 1.66 0.69 0.10 4.37 4.64 -1.98 -1.05 113.55 121.97 2o1c h SER 85 Ca -0.43 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 2o1c h SER 85 Cb 1.34 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2o1c h SER 85 CO 0.58 0.27 0.00 0.00 -0.87 0.00 0.00 176.83 176.81 2o1c n HIS 86 N -4.80 0.00 0.20 4.77 1.44 -1.26 -2.42 115.22 113.16 2o1c n HIS 86 Ca 0.20 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.93 2o1c n HIS 86 Cb 0.49 -0.08 -0.03 0.00 0.12 0.00 0.00 29.99 30.49 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 -1.08 0.20 -0.21 2.39 4.32 -0.42 -4.81 117.00 117.39 2o1c n LEU 87 Ca 0.13 -0.46 0.07 0.00 -0.02 0.00 0.00 56.01 55.73 2o1c n LEU 87 Cb 0.09 0.00 0.35 0.00 -1.62 0.00 0.00 43.42 42.24 2o1c n LEU 87 CO 0.12 0.05 1.22 -0.09 -1.22 0.00 0.00 177.39 177.47 2o1c h ARG 88 N 0.00 0.74 0.00 3.23 2.43 -1.26 -1.89 114.38 117.63 2o1c h ARG 88 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2o1c h ARG 88 Cb 0.12 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 2o1c h ARG 88 CO 0.00 0.49 0.00 -2.39 -1.51 0.00 0.00 179.97 176.56 2o1c n HIS 89 N -4.49 0.38 1.54 2.20 1.44 -1.26 -2.28 115.22 112.74 2o1c n HIS 89 Ca 0.12 0.14 0.14 0.00 -2.01 0.00 0.00 57.72 56.11 2o1c n HIS 89 Cb 0.28 -0.73 0.58 0.00 0.12 0.00 0.00 29.99 30.24 2o1c n HIS 89 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2o1c n ARG 90 N -1.84 1.39 -4.30 -1.40 1.74 -0.71 -4.79 116.66 106.75 2o1c n ARG 90 Ca 0.03 -0.70 -0.24 0.00 -0.77 0.00 0.00 57.85 56.17 2o1c n ARG 90 Cb 0.23 -1.49 -0.08 0.00 -1.02 0.00 0.00 32.46 30.10 2o1c n ARG 90 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2o1c s TYR 91 N -2.10 2.66 0.22 -1.55 1.51 -0.97 -3.57 117.35 113.56 2o1c s TYR 91 Ca 0.37 -0.22 -0.31 0.00 -1.01 0.00 0.00 57.07 55.90 2o1c s TYR 91 Cb 0.21 -1.22 -0.15 0.00 -0.11 0.00 0.00 41.96 40.69 2o1c s TYR 91 CO 0.37 0.59 1.04 0.00 -1.11 0.00 0.00 175.55 176.45 2o1c n ALA 92 N -0.58 -0.79 -1.56 3.71 0.00 -1.26 -4.84 120.51 115.20 2o1c n ALA 92 Ca -0.08 0.43 -0.50 0.00 0.00 0.00 0.00 53.44 53.30 2o1c n ALA 92 Cb 0.58 -1.98 -0.04 0.00 0.00 0.00 0.00 19.45 18.00 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 1.28 0.95 0.00 0.00 -0.02 -1.26 -1.57 135.00 134.38 2o1c n PRO 93 Ca 0.13 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 2o1c n PRO 93 Cb 0.27 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 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 1.97 3.28 3.62 -1.23 0.00 -1.26 -5.03 105.19 106.55 2o1c n GLY 94 Ca 0.16 0.00 -0.43 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 -2.72 4.17 0.00 1.61 1.01 -0.61 -4.84 120.40 119.02 2o1c s VAL 95 Ca 0.00 1.30 0.00 0.00 0.00 0.00 0.00 61.98 63.28 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 -0.56 0.05 0.35 0.00 0.00 0.00 175.10 174.94 2o1c n THR 96 N 6.33 0.00 -4.36 3.92 -2.24 -1.26 -4.91 114.28 111.76 2o1c n THR 96 Ca 0.14 -0.42 -0.20 0.00 -2.27 0.00 0.00 64.05 61.30 2o1c n THR 96 Cb 0.47 1.02 -0.13 0.00 -2.10 0.00 0.00 70.33 69.58 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 -0.74 0.92 -0.12 -0.78 3.00 -1.26 -1.10 118.95 118.87 2o1c s ARG 97 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 55.73 55.01 2o1c s ARG 97 Cb 0.00 -0.92 -0.02 0.00 0.00 0.00 0.00 34.95 34.01 2o1c s ARG 97 CO 0.00 0.23 -0.12 1.21 0.00 0.00 0.00 175.30 176.62 2o1c s ASN 98 N -1.05 4.11 -0.21 0.23 3.84 0.14 -4.84 114.94 117.17 2o1c s ASN 98 Ca 0.02 -0.28 -0.15 0.00 0.21 0.00 0.00 52.86 52.66 2o1c s ASN 98 Cb -0.08 -1.51 -0.04 0.00 -0.55 0.00 0.00 41.25 39.07 2o1c s ASN 98 CO 0.01 0.20 0.35 -0.89 -2.79 0.00 0.00 177.10 173.98 2o1c s THR 99 N 0.17 5.23 -0.13 -5.21 2.01 -0.49 -0.85 115.64 116.37 2o1c s THR 99 Ca -0.07 0.60 0.03 0.00 0.31 0.00 0.00 61.69 62.56 2o1c s THR 99 Cb -0.15 -3.69 0.01 0.00 0.01 0.00 0.00 72.50 68.68 2o1c s THR 99 CO 0.05 0.26 -0.22 -0.70 -0.69 0.00 0.00 174.62 173.32 2o1c s GLU 100 N 1.32 3.05 -0.13 4.92 2.12 0.63 -0.38 118.70 130.23 2o1c s GLU 100 Ca 0.17 -0.85 -0.10 0.00 0.36 0.00 0.00 54.97 54.55 2o1c s GLU 100 Cb -0.15 -2.43 -0.05 0.00 0.26 0.00 0.00 34.13 31.77 2o1c s GLU 100 CO 0.07 0.04 0.20 -1.12 -0.54 0.00 0.00 175.26 173.91 2o1c s SER 101 N 0.70 6.41 -0.10 -1.70 0.01 -0.64 -0.59 113.70 117.79 2o1c s SER 101 Ca -0.10 0.48 -0.13 0.00 1.31 0.00 0.00 55.95 57.51 2o1c s SER 101 Cb -0.16 -2.12 -0.05 0.00 0.21 0.00 0.00 66.02 63.90 2o1c s SER 101 CO 0.01 0.28 0.31 0.26 0.41 0.00 0.00 173.24 174.51 2o1c s TRP 102 N -0.39 3.58 0.05 2.43 0.51 0.21 -1.22 118.94 124.12 2o1c s TRP 102 Ca 0.15 0.73 0.02 0.00 -2.12 0.00 0.00 56.10 54.87 2o1c s TRP 102 Cb -0.13 -2.25 -0.03 0.00 -0.81 0.00 0.00 33.47 30.25 2o1c s TRP 102 CO 0.04 0.47 -0.07 -0.06 -0.51 0.00 0.00 176.95 176.82 2o1c s PHE 103 N -0.34 0.67 0.20 -1.98 0.08 0.83 -2.01 117.98 115.43 2o1c s PHE 103 Ca 0.19 -0.65 0.10 0.00 0.12 0.00 0.00 56.93 56.68 2o1c s PHE 103 Cb -0.14 -0.41 -0.04 0.00 -0.57 0.00 0.00 43.02 41.86 2o1c s PHE 103 CO 0.07 -0.13 -0.19 0.00 -0.10 0.00 0.00 175.22 174.87 2o1c s LEU 105 N -2.96 0.36 -0.45 0.00 2.96 0.04 -0.76 118.68 117.87 2o1c s LEU 105 Ca 0.21 -0.69 -0.18 0.00 -0.22 0.00 0.00 54.13 53.25 2o1c s LEU 105 Cb -0.05 -0.25 0.04 0.00 0.50 0.00 0.00 46.19 46.42 2o1c s LEU 105 CO 0.09 -0.36 0.49 0.00 -1.32 0.00 0.00 176.35 175.25 2o1c s ALA 106 N 2.14 3.43 0.18 5.97 0.00 -1.26 -1.41 121.76 130.80 2o1c s ALA 106 Ca 0.03 -1.61 -0.24 0.00 0.00 0.00 0.00 51.96 50.13 2o1c s ALA 106 Cb -0.16 -3.14 -0.08 0.00 0.00 0.00 0.00 23.12 19.74 2o1c s ALA 106 CO -0.12 -1.71 0.77 -0.51 0.00 0.00 0.00 175.76 174.18 2o1c s LEU 107 N 2.24 4.56 0.41 0.00 1.43 0.08 -4.82 118.68 122.58 2o1c s LEU 107 Ca 0.13 1.62 0.13 0.00 -1.03 0.00 0.00 54.13 54.97 2o1c s LEU 107 Cb -0.18 -3.34 0.97 0.00 0.03 0.00 0.00 46.19 43.67 2o1c s LEU 107 CO 0.13 0.18 1.96 1.55 0.23 0.00 0.00 176.35 180.40 2o1c h PRO 108 N 4.18 0.47 -3.91 1.29 0.13 -1.96 0.32 132.00 132.53 2o1c h PRO 108 Ca -0.47 -0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 64.53 2o1c h PRO 108 Cb 1.20 -0.11 -0.14 0.00 0.13 0.00 0.00 31.00 32.09 2o1c h PRO 108 CO 0.66 0.31 -0.43 -1.01 -0.23 0.00 0.00 178.00 177.30 2o1c s HIS 109 N -5.46 0.26 0.62 1.56 3.76 -1.26 -3.43 115.29 111.33 2o1c s HIS 109 Ca -0.08 -0.70 -0.18 0.00 -0.15 0.00 0.00 55.06 53.94 2o1c s HIS 109 Cb 0.20 -0.13 -0.02 0.00 1.11 0.00 0.00 32.58 33.74 2o1c s HIS 109 CO 0.76 -0.53 1.24 -1.21 -0.85 0.00 0.00 174.74 174.15 2o1c s GLU 110 N -3.89 2.79 0.24 1.40 2.02 -1.26 -4.86 118.70 115.14 2o1c s GLU 110 Ca 0.07 1.91 -0.13 0.00 0.02 0.00 0.00 54.97 56.84 2o1c s GLU 110 Cb 0.05 -1.90 -0.00 0.00 0.10 0.00 0.00 34.13 32.38 2o1c s GLU 110 CO -0.10 -1.37 0.47 -0.98 0.02 0.00 0.00 175.26 173.31 2o1c s ARG 111 N -3.37 1.53 0.34 1.61 1.70 -1.26 -5.14 118.95 114.35 2o1c s ARG 111 Ca 0.79 -1.23 -0.28 0.00 -0.47 0.00 0.00 55.73 54.53 2o1c s ARG 111 Cb -0.33 0.47 -0.10 0.00 -0.57 0.00 0.00 34.95 34.42 2o1c s ARG 111 CO 0.36 -0.63 1.31 -1.14 -1.08 0.00 0.00 175.30 174.11 2o1c s GLN 112 N -4.01 4.32 -0.16 3.89 2.00 -1.26 -5.03 119.66 119.42 2o1c s GLN 112 Ca 0.22 2.22 0.01 0.00 -2.00 0.00 0.00 55.36 55.81 2o1c s GLN 112 Cb -0.01 -3.04 0.01 0.00 0.80 0.00 0.00 33.01 30.77 2o1c s GLN 112 CO 0.08 -0.22 -0.20 0.42 -0.50 0.00 0.00 175.29 174.88 2o1c s ILE 113 N -1.15 2.20 -0.86 -2.34 1.09 -1.26 -5.06 121.20 113.82 2o1c s ILE 113 Ca 0.50 -0.92 -0.20 0.00 -1.10 0.00 0.00 60.65 58.92 2o1c s ILE 113 Cb -0.40 -1.91 0.10 0.00 -1.06 0.00 0.00 42.46 39.20 2o1c s ILE 113 CO 0.53 0.54 1.13 -0.69 -0.10 0.00 0.00 174.94 176.34 2o1c s VAL 114 N 0.99 4.50 0.29 2.92 1.01 -1.26 -5.02 120.40 123.83 2o1c s VAL 114 Ca -0.02 -1.11 -0.08 0.00 0.00 0.00 0.00 61.98 60.77 2o1c s VAL 114 Cb -0.15 -4.79 -0.06 0.00 0.00 0.00 0.00 36.38 31.38 2o1c s VAL 114 CO -0.05 -1.55 0.60 0.72 0.00 0.00 0.00 175.10 174.82 2o1c s PHE 115 N 3.40 3.45 0.00 5.22 -0.71 -1.26 -3.21 117.98 124.88 2o1c s PHE 115 Ca 0.31 0.82 0.00 0.00 -1.04 0.00 0.00 56.93 57.02 2o1c s PHE 115 Cb -0.08 -2.24 0.00 0.00 -1.21 0.00 0.00 43.02 39.50 2o1c s PHE 115 CO -0.04 0.14 0.00 0.25 -1.34 0.00 0.00 175.22 174.24 2o1c n THR 116 N -0.74 0.00 -0.23 -4.49 -2.24 -0.87 -4.83 114.28 100.88 2o1c n THR 116 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2o1c n THR 116 Cb 0.53 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 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 -0.70 -0.51 -4.63 -0.78 1.02 -1.26 -5.07 120.64 108.71 2o1c n GLU 117 Ca 0.00 -0.46 -0.28 0.00 -0.02 0.00 0.00 57.16 56.40 2o1c n GLU 117 Cb 0.04 -0.88 -0.10 0.00 -0.02 0.00 0.00 31.44 30.48 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 -0.06 2.22 -0.04 -0.32 3.76 -1.26 -4.40 115.29 115.19 2o1c s HIS 118 Ca 0.00 -0.82 0.06 0.00 -0.15 0.00 0.00 55.06 54.14 2o1c s HIS 118 Cb 0.00 -1.63 -0.24 0.00 1.11 0.00 0.00 32.58 31.82 2o1c s HIS 118 CO 0.00 0.28 0.69 -0.07 -0.85 0.00 0.00 174.74 174.80 2o1c h LEU 119 N 1.71 0.14 -7.84 0.89 3.38 -0.52 -3.47 115.31 109.59 2o1c h LEU 119 Ca -0.43 -0.27 0.12 0.00 0.09 0.00 0.00 57.88 57.39 2o1c h LEU 119 Cb 1.26 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.90 2o1c h LEU 119 CO 0.76 1.24 0.36 0.00 0.09 0.00 0.00 178.44 180.89 2o1c s ALA 120 N -2.60 -1.43 0.02 1.53 0.00 -1.26 -4.98 121.76 113.04 2o1c s ALA 120 Ca -0.08 -0.11 -0.04 0.00 0.00 0.00 0.00 51.96 51.73 2o1c s ALA 120 Cb 0.08 0.75 -0.01 0.00 0.00 0.00 0.00 23.12 23.93 2o1c s ALA 120 CO 0.82 -1.04 0.07 1.52 0.00 0.00 0.00 175.76 177.12 2o1c s TYR 121 N -3.58 0.16 -0.01 0.00 1.13 -1.26 -1.02 117.35 112.77 2o1c s TYR 121 Ca 0.12 -0.37 -0.02 0.00 -1.41 0.00 0.00 57.07 55.38 2o1c s TYR 121 Cb -0.04 -0.13 -0.00 0.00 -1.10 0.00 0.00 41.96 40.70 2o1c s TYR 121 CO 0.05 -0.27 0.04 0.15 -2.51 0.00 0.00 175.55 173.01 2o1c s LYS 122 N -1.74 0.16 -0.42 -3.49 1.02 -0.24 -4.99 119.74 110.03 2o1c s LYS 122 Ca -0.13 -0.12 -0.22 0.00 0.02 0.00 0.00 55.97 55.52 2o1c s LYS 122 Cb -0.07 0.07 0.02 0.00 -0.52 0.00 0.00 37.83 37.33 2o1c s LYS 122 CO -0.01 -0.03 0.70 -1.58 -0.92 0.00 0.00 175.35 173.52 2o1c s TRP 123 N -0.44 3.06 0.04 3.18 0.52 -1.26 -0.82 118.94 123.22 2o1c s TRP 123 Ca -0.05 0.15 0.08 0.00 0.02 0.00 0.00 56.10 56.30 2o1c s TRP 123 Cb -0.03 -3.43 -0.03 0.00 -1.15 0.00 0.00 33.47 28.83 2o1c s TRP 123 CO -0.00 -0.85 -0.20 -0.51 0.02 0.00 0.00 176.95 175.40 2o1c s LEU 124 N 2.99 2.49 0.24 2.99 1.43 -0.68 -4.86 118.68 123.29 2o1c s LEU 124 Ca 0.26 -0.47 -0.30 0.00 -1.03 0.00 0.00 54.13 52.59 2o1c s LEU 124 Cb -0.13 -1.45 -0.14 0.00 0.03 0.00 0.00 46.19 44.49 2o1c s LEU 124 CO 0.19 0.26 1.18 0.47 0.23 0.00 0.00 176.35 178.68 2o1c n ASP 125 N 1.61 1.76 -0.22 2.29 8.00 -1.26 0.39 116.55 129.11 2o1c n ASP 125 Ca -0.16 1.16 0.01 0.00 0.71 0.00 0.00 54.79 56.50 2o1c n ASP 125 Cb 0.52 -1.31 0.09 0.00 -0.02 0.00 0.00 41.12 40.40 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 3.04 0.51 -0.48 2.24 0.00 -1.92 -0.07 119.26 122.60 2o1c h ALA 126 Ca -0.43 0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2o1c h ALA 126 Cb 1.32 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 19.55 2o1c h ALA 126 CO 0.68 -0.42 0.16 -1.35 0.00 0.00 0.00 179.25 178.32 2o1c h PRO 127 N 0.03 0.69 -0.47 0.00 0.11 -1.93 -1.07 132.00 129.36 2o1c h PRO 127 Ca 0.33 -0.11 -0.09 0.00 0.11 0.00 0.00 66.00 66.25 2o1c h PRO 127 Cb 0.52 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.49 2o1c h PRO 127 CO -0.66 0.60 -0.05 0.00 -0.21 0.00 0.00 178.00 177.68 2o1c h ALA 128 N 1.50 1.02 -0.32 -0.75 0.00 -1.39 -2.08 119.26 117.24 2o1c h ALA 128 Ca 0.16 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 2o1c h ALA 128 Cb 0.18 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2o1c h ALA 128 CO -0.01 0.60 -0.24 0.00 0.00 0.00 0.00 179.25 179.60 2o1c h ALA 129 N 1.19 0.46 -0.76 0.00 0.00 -0.76 -1.82 119.26 117.57 2o1c h ALA 129 Ca 0.14 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2o1c h ALA 129 Cb 0.53 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2o1c h ALA 129 CO 0.03 0.44 0.37 0.00 0.00 0.00 0.00 179.25 180.09 2o1c h ALA 130 N 0.74 1.23 -0.08 0.00 0.00 -1.11 -2.67 119.26 117.38 2o1c h ALA 130 Ca 0.06 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 2o1c h ALA 130 Cb 0.80 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2o1c h ALA 130 CO 0.06 0.59 -0.66 0.00 0.00 0.00 0.00 179.25 179.25 2o1c h ALA 131 N 1.34 0.72 -0.00 0.00 0.00 -1.29 -3.35 119.26 116.67 2o1c h ALA 131 Ca 0.26 -0.58 -0.17 0.00 0.00 0.00 0.00 54.91 54.43 2o1c h ALA 131 Cb 0.09 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.82 2o1c h ALA 131 CO -0.04 0.75 -0.65 1.25 0.00 0.00 0.00 179.25 180.56 2o1c h LEU 132 N 0.23 0.58 -9.85 0.00 5.85 -1.15 -3.47 115.31 107.50 2o1c h LEU 132 Ca -0.02 -0.76 -0.56 0.00 0.84 0.00 0.00 57.88 57.39 2o1c h LEU 132 Cb 1.21 -0.18 0.13 0.00 0.37 0.00 0.00 40.66 42.19 2o1c h LEU 132 CO 0.11 1.26 0.49 1.07 -0.34 0.00 0.00 178.44 181.03 2o1c n THR 133 N -4.17 2.73 1.33 1.05 5.66 -1.02 -4.70 114.28 115.15 2o1c n THR 133 Ca -0.10 -0.50 0.13 0.00 -3.05 0.00 0.00 64.05 60.53 2o1c n THR 133 Cb 0.70 -1.56 0.45 0.00 -1.55 0.00 0.00 70.33 68.36 2o1c n THR 133 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2o1c n LYS 134 N -0.11 0.99 -3.52 1.09 5.02 -1.25 -4.77 118.16 115.60 2o1c n LYS 134 Ca 0.07 -0.55 -0.39 0.00 -2.02 0.00 0.00 58.31 55.43 2o1c n LYS 134 Cb 0.40 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 33.82 2o1c n LYS 134 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2o1c s SER 135 N -2.39 6.10 0.38 4.39 0.15 -1.26 -4.96 113.70 116.10 2o1c s SER 135 Ca 0.28 0.03 0.16 0.00 0.70 0.00 0.00 55.95 57.13 2o1c s SER 135 Cb 0.20 -2.15 0.75 0.00 -1.71 0.00 0.00 66.02 63.11 2o1c s SER 135 CO 0.47 -0.12 1.80 4.11 1.20 0.00 0.00 173.24 180.71 2o1c h TRP 136 N 8.33 0.00 -0.18 3.44 5.08 -1.97 -1.82 115.95 128.82 2o1c h TRP 136 Ca -0.34 0.00 -0.22 0.00 1.08 0.00 0.00 58.89 59.42 2o1c h TRP 136 Cb 1.18 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 27.35 2o1c h TRP 136 CO 0.75 0.38 -0.73 0.66 -1.28 0.00 0.00 178.44 178.22 2o1c h SER 137 N 0.00 0.95 -0.04 0.11 4.64 -1.98 -1.04 113.55 116.19 2o1c h SER 137 Ca -0.00 -0.60 0.00 0.00 -0.47 0.00 0.00 61.79 60.72 2o1c h SER 137 Cb 0.75 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2o1c h SER 137 CO 0.05 1.40 0.01 -1.13 -0.87 0.00 0.00 176.83 176.29 2o1c h ASN 138 N 0.57 0.01 -0.44 4.97 -0.00 -1.94 -1.08 115.58 117.67 2o1c h ASN 138 Ca -0.04 0.00 0.09 0.00 -0.00 0.00 0.00 56.30 56.35 2o1c h ASN 138 Cb 1.35 0.00 -0.08 0.00 -0.00 0.00 0.00 38.32 39.59 2o1c h ASN 138 CO 0.15 0.01 -0.12 -0.09 -0.00 0.00 0.00 177.43 177.39 2o1c h ARG 139 N 0.03 -0.01 -0.43 6.67 2.43 -1.28 -2.29 114.38 119.50 2o1c h ARG 139 Ca 0.02 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.12 2o1c h ARG 139 Cb 0.01 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 2o1c h ARG 139 CO -0.02 -0.01 -0.00 0.37 -1.51 0.00 0.00 179.97 178.80 2o1c h GLN 140 N -0.01 0.70 -0.45 0.20 4.15 -0.97 -1.54 115.11 117.18 2o1c h GLN 140 Ca 0.21 -0.18 -0.13 0.00 0.77 0.00 0.00 58.65 59.32 2o1c h GLN 140 Cb 0.33 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 2o1c h GLN 140 CO -0.46 0.72 -0.24 0.00 -1.93 0.00 0.00 178.83 176.92 2o1c h ALA 141 N 1.34 0.71 -0.50 3.38 0.00 -0.97 -1.94 119.26 121.28 2o1c h ALA 141 Ca 0.13 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2o1c h ALA 141 Cb 0.41 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2o1c h ALA 141 CO 0.02 0.67 0.24 0.82 0.00 0.00 0.00 179.25 180.99 2o1c h ILE 142 N 0.82 1.20 -0.48 0.00 2.04 -1.10 -0.84 117.51 119.14 2o1c h ILE 142 Ca 0.10 -0.56 -0.08 0.00 1.00 0.00 0.00 64.86 65.32 2o1c h ILE 142 Cb 0.81 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 2o1c h ILE 142 CO 0.07 0.22 0.01 -0.33 0.00 0.00 0.00 178.15 178.12 2o1c h GLU 143 N 0.67 0.85 0.00 2.37 5.08 -1.22 -1.10 114.58 121.22 2o1c h GLU 143 Ca 0.17 -0.27 -0.13 0.00 -1.00 0.00 0.00 59.36 58.14 2o1c h GLU 143 Cb 0.13 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2o1c h GLU 143 CO -0.02 0.89 -0.97 1.96 -1.00 0.00 0.00 179.01 179.87 2o1c h GLN 144 N 0.71 0.00 0.00 2.33 4.20 -1.29 0.57 115.11 121.62 2o1c h GLN 144 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 2o1c h GLN 144 Cb 0.50 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 2o1c h GLN 144 CO 0.02 0.35 0.00 1.19 -0.67 0.00 0.00 178.83 179.73 2o1c n PHE 145 N -3.02 0.00 -0.01 2.96 3.72 -0.33 -4.40 117.46 116.38 2o1c n PHE 145 Ca -0.04 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.35 2o1c n PHE 145 Cb 0.77 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.30 2o1c n PHE 145 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 2o1c n VAL 146 N -0.51 0.12 -0.06 -4.37 0.24 -0.58 -4.89 118.33 108.28 2o1c n VAL 146 Ca 0.00 -0.05 -0.04 0.00 -2.04 0.00 0.00 64.34 62.22 2o1c n VAL 146 Cb 0.02 -0.60 -0.03 0.00 -1.47 0.00 0.00 33.84 31.76 2o1c n VAL 146 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 2o1c h ILE 147 N 0.00 0.37 -0.01 1.34 2.04 -1.26 -3.50 117.51 116.49 2o1c h ILE 147 Ca -0.05 -1.29 0.00 0.00 1.00 0.00 0.00 64.86 64.52 2o1c h ILE 147 Cb 1.07 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 2o1c h ILE 147 CO -0.01 0.13 0.00 -0.46 0.00 0.00 0.00 178.15 177.81