#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a2w s GLY 3 N 0.00 0.01 -0.29 -1.23 0.00 -1.26 -5.12 107.32 99.42 3a2w s GLY 3 Ca 0.00 -0.27 -0.20 0.00 0.00 0.00 0.00 44.72 44.25 3a2w s GLY 3 CO 0.00 -0.46 0.60 -0.45 0.00 0.00 0.00 173.10 172.79 3a2w s SER 4 N -2.21 6.49 0.21 1.64 0.15 -1.26 -5.04 113.70 113.68 3a2w s SER 4 Ca -0.03 0.49 0.10 0.00 0.70 0.00 0.00 55.95 57.20 3a2w s SER 4 Cb -0.00 -2.32 -0.04 0.00 -1.71 0.00 0.00 66.02 61.95 3a2w s SER 4 CO -0.05 -0.42 -0.12 0.27 1.20 0.00 0.00 173.24 174.12 3a2w s ILE 5 N 2.52 2.98 1.13 6.45 -4.36 -1.26 -3.82 121.20 124.83 3a2w s ILE 5 Ca 0.24 -1.87 -0.16 0.00 -0.26 0.00 0.00 60.65 58.60 3a2w s ILE 5 Cb -0.15 -2.50 0.25 0.00 1.25 0.00 0.00 42.46 41.32 3a2w s ILE 5 CO 0.11 -0.19 1.08 -2.16 0.24 0.00 0.00 174.94 174.01 3a2w s PRO 6 N -3.02 -0.67 0.11 0.37 0.04 -1.26 -5.01 135.00 125.56 3a2w s PRO 6 Ca 0.26 0.27 0.03 0.00 0.04 0.00 0.00 61.00 61.60 3a2w s PRO 6 Cb -0.08 -1.63 -0.04 0.00 0.04 0.00 0.00 34.50 32.79 3a2w s PRO 6 CO 0.15 -3.42 -0.09 -0.51 0.04 0.00 0.00 177.00 173.17 3a2w s LEU 7 N -6.85 2.46 0.18 -3.56 1.43 -1.26 -5.08 118.68 106.00 3a2w s LEU 7 Ca 0.68 -0.91 -0.33 0.00 -1.03 0.00 0.00 54.13 52.54 3a2w s LEU 7 Cb -0.15 -0.22 -0.14 0.00 0.03 0.00 0.00 46.19 45.70 3a2w s LEU 7 CO 0.58 -0.35 1.42 -0.38 0.23 0.00 0.00 176.35 177.85 3a2w n ILE 8 N 0.22 0.50 0.00 -0.59 2.08 -1.26 -1.43 119.36 118.87 3a2w n ILE 8 Ca -0.14 -0.12 0.00 0.00 0.56 0.00 0.00 62.75 63.05 3a2w n ILE 8 Cb 0.59 -1.32 0.00 0.00 -0.75 0.00 0.00 39.64 38.16 3a2w n ILE 8 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3a2w n GLY 9 N 2.60 3.14 3.85 7.39 0.00 0.24 -5.00 105.19 117.41 3a2w n GLY 9 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 3a2w n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a2w s GLU 10 N -0.35 3.92 0.29 1.61 2.02 -0.51 -4.74 118.70 120.94 3a2w s GLU 10 Ca 0.00 0.80 -0.29 0.00 0.02 0.00 0.00 54.97 55.50 3a2w s GLU 10 Cb 0.00 -2.23 -0.10 0.00 0.10 0.00 0.00 34.13 31.90 3a2w s GLU 10 CO 0.00 -0.16 1.20 0.50 0.02 0.00 0.00 175.26 176.83 3a2w s ARG 11 N -3.87 4.50 0.37 1.61 3.00 -1.26 -1.36 118.95 121.93 3a2w s ARG 11 Ca 0.57 2.00 -0.28 0.00 -1.00 0.00 0.00 55.73 57.02 3a2w s ARG 11 Cb -0.10 -3.14 -0.11 0.00 0.00 0.00 0.00 34.95 31.59 3a2w s ARG 11 CO 0.29 0.01 1.34 0.34 0.00 0.00 0.00 175.30 177.28 3a2w n PHE 12 N 1.15 2.45 -1.64 5.12 7.35 0.14 -4.83 117.46 127.21 3a2w n PHE 12 Ca -0.00 0.52 -0.47 0.00 -0.76 0.00 0.00 57.45 56.74 3a2w n PHE 12 Cb 0.43 -2.44 -0.04 0.00 0.35 0.00 0.00 39.48 37.78 3a2w n PHE 12 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 3a2w n PRO 13 N 0.42 2.12 -1.71 -7.13 -0.02 -1.26 -4.54 135.00 122.88 3a2w n PRO 13 Ca 0.04 0.74 -0.43 0.00 -2.02 0.00 0.00 63.50 61.83 3a2w n PRO 13 Cb 0.37 -2.77 -0.03 0.00 -0.02 0.00 0.00 33.50 31.06 3a2w n PRO 13 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3a2w n GLU 14 N 7.30 2.63 -3.64 -0.52 2.13 -1.26 -4.56 120.64 122.72 3a2w n GLU 14 Ca 0.26 0.94 -0.05 0.00 0.66 0.00 0.00 57.16 58.97 3a2w n GLU 14 Cb 0.33 -2.76 -0.07 0.00 0.27 0.00 0.00 31.44 29.21 3a2w n GLU 14 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3a2w s MET 15 N 0.82 0.44 -0.31 5.31 0.23 -0.45 -4.99 119.30 120.35 3a2w s MET 15 Ca 0.74 0.67 -0.19 0.00 -1.03 0.00 0.00 55.69 55.88 3a2w s MET 15 Cb -0.54 0.14 -0.01 0.00 -1.53 0.00 0.00 34.83 32.89 3a2w s MET 15 CO 0.36 -0.08 0.57 -2.00 -2.03 0.00 0.00 175.02 171.85 3a2w s GLU 16 N 0.94 3.84 0.24 3.16 2.12 -1.26 -1.21 118.70 126.54 3a2w s GLU 16 Ca -0.04 0.15 0.11 0.00 0.36 0.00 0.00 54.97 55.54 3a2w s GLU 16 Cb -0.04 -3.74 -0.05 0.00 0.26 0.00 0.00 34.13 30.56 3a2w s GLU 16 CO -0.12 -0.56 -0.15 0.14 -0.54 0.00 0.00 175.26 174.04 3a2w s VAL 17 N 2.49 2.80 -0.23 3.70 -7.23 -0.10 -4.96 120.40 116.86 3a2w s VAL 17 Ca 0.22 -2.09 -0.10 0.00 -1.81 0.00 0.00 61.98 58.21 3a2w s VAL 17 Cb -0.15 -2.44 -0.05 0.00 0.56 0.00 0.00 36.38 34.31 3a2w s VAL 17 CO 0.12 -0.28 0.14 -0.89 -0.31 0.00 0.00 175.10 173.88 3a2w s THR 18 N -2.15 5.22 0.30 5.32 2.01 -1.26 -1.32 115.64 123.77 3a2w s THR 18 Ca 0.27 0.13 0.07 0.00 0.31 0.00 0.00 61.69 62.47 3a2w s THR 18 Cb -0.07 -3.43 -0.06 0.00 0.01 0.00 0.00 72.50 68.96 3a2w s THR 18 CO 0.15 0.36 -0.05 0.42 -0.69 0.00 0.00 174.62 174.81 3a2w s THR 19 N 1.02 1.72 -2.00 -0.82 -4.23 0.85 0.11 115.64 112.28 3a2w s THR 19 Ca 0.07 -2.12 0.12 0.00 -1.18 0.00 0.00 61.69 58.57 3a2w s THR 19 Cb -0.13 -2.53 0.33 0.00 1.34 0.00 0.00 72.50 71.50 3a2w s THR 19 CO 0.04 -0.25 1.13 -0.90 -0.54 0.00 0.00 174.62 174.11 3a2w n ASP 20 N -0.64 0.00 -0.40 3.99 5.68 -0.97 -0.47 116.55 123.74 3a2w n ASP 20 Ca -0.05 -0.70 0.06 0.00 -0.50 0.00 0.00 54.79 53.60 3a2w n ASP 20 Cb 0.64 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.65 3a2w n ASP 20 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3a2w n HIS 21 N -0.84 0.00 0.00 2.11 8.25 -1.26 -5.00 115.22 118.48 3a2w n HIS 21 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 3a2w n HIS 21 Cb 0.04 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.15 3a2w n HIS 21 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a2w n GLY 22 N 0.76 0.51 3.79 -1.41 0.00 0.38 -5.04 105.19 104.18 3a2w n GLY 22 Ca 0.06 -2.25 -0.38 0.00 0.00 0.00 0.00 46.02 43.45 3a2w n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a2w s VAL 23 N -0.54 4.95 0.09 1.61 1.01 -1.26 -0.10 120.40 126.15 3a2w s VAL 23 Ca 0.00 1.07 -0.04 0.00 0.00 0.00 0.00 61.98 63.01 3a2w s VAL 23 Cb 0.00 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 3a2w s VAL 23 CO 0.00 0.48 0.07 0.27 0.00 0.00 0.00 175.10 175.93 3a2w s ILE 24 N -0.53 0.16 -0.13 2.22 -4.36 -0.43 -4.96 121.20 113.16 3a2w s ILE 24 Ca 0.27 -1.65 -0.01 0.00 -0.26 0.00 0.00 60.65 59.00 3a2w s ILE 24 Cb -0.18 -1.64 -0.02 0.00 1.25 0.00 0.00 42.46 41.87 3a2w s ILE 24 CO 0.15 -0.72 -0.08 -0.75 0.24 0.00 0.00 174.94 173.78 3a2w s LYS 25 N -3.94 3.40 -0.00 0.37 2.20 -1.26 -0.92 119.74 119.58 3a2w s LYS 25 Ca 0.12 -0.60 0.03 0.00 -0.36 0.00 0.00 55.97 55.16 3a2w s LYS 25 Cb 0.07 -2.74 -0.03 0.00 -1.51 0.00 0.00 37.83 33.62 3a2w s LYS 25 CO -0.06 0.30 -0.07 -0.51 -0.36 0.00 0.00 175.35 174.64 3a2w s LEU 26 N 0.17 3.16 0.00 5.43 1.43 -0.35 -0.14 118.68 128.39 3a2w s LEU 26 Ca -0.05 -0.14 0.28 0.00 -1.03 0.00 0.00 54.13 53.19 3a2w s LEU 26 Cb -0.14 -1.80 0.97 0.00 0.03 0.00 0.00 46.19 45.24 3a2w s LEU 26 CO 0.04 0.29 1.69 -0.81 0.23 0.00 0.00 176.35 177.79 3a2w n PRO 27 N 1.61 1.18 -0.38 1.29 -0.04 -1.26 -1.34 135.00 136.05 3a2w n PRO 27 Ca -0.16 -0.65 -0.02 0.00 -0.04 0.00 0.00 63.50 62.64 3a2w n PRO 27 Cb 0.53 -1.49 0.03 0.00 -0.04 0.00 0.00 33.50 32.53 3a2w n PRO 27 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3a2w h ASP 28 N 1.59 -1.47 -0.95 3.54 5.19 -1.95 0.29 116.42 122.65 3a2w h ASP 28 Ca 0.00 0.31 0.27 0.00 -0.62 0.00 0.00 57.03 56.99 3a2w h ASP 28 Cb 0.47 0.77 -0.14 0.00 0.18 0.00 0.00 39.33 40.61 3a2w h ASP 28 CO 0.00 -0.29 0.44 -0.74 -3.12 0.00 0.00 179.24 175.53 3a2w h HIS 29 N -0.00 0.72 0.13 4.55 2.76 -0.89 0.40 115.15 122.82 3a2w h HIS 29 Ca 0.34 0.04 -0.36 0.00 -2.20 0.00 0.00 60.37 58.19 3a2w h HIS 29 Cb 0.59 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.37 3a2w h HIS 29 CO -0.88 -0.13 -1.93 1.88 -1.30 0.00 0.00 177.93 175.57 3a2w h TYR 30 N 0.34 0.48 -0.88 5.26 -1.99 -1.28 -3.35 116.97 115.55 3a2w h TYR 30 Ca 0.64 -0.35 0.07 0.00 2.00 0.00 0.00 58.73 61.09 3a2w h TYR 30 Cb 1.34 -0.02 -0.06 0.00 2.00 0.00 0.00 36.73 40.00 3a2w h TYR 30 CO -0.11 1.70 0.57 0.28 -0.00 0.00 0.00 178.16 180.61 3a2w h VAL 31 N 0.07 1.05 -0.71 -2.88 2.07 -0.25 0.13 116.25 115.73 3a2w h VAL 31 Ca -0.40 -0.33 0.13 0.00 0.82 0.00 0.00 66.70 66.91 3a2w h VAL 31 Cb 2.04 -0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.76 3a2w h VAL 31 CO 0.10 0.18 0.47 0.28 0.02 0.00 0.00 177.57 178.63 3a2w h SER 32 N 0.97 0.42 0.44 0.57 0.02 -0.35 -1.58 113.55 114.04 3a2w h SER 32 Ca 0.38 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 3a2w h SER 32 Cb 0.24 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.71 3a2w h SER 32 CO -0.15 0.24 -0.41 0.00 -1.14 0.00 0.00 176.83 175.37 3a2w n GLN 33 N -4.48 0.23 -1.32 3.45 6.02 -0.01 -4.91 117.38 116.37 3a2w n GLN 33 Ca 0.13 -0.13 -0.05 0.00 -0.01 0.00 0.00 57.00 56.94 3a2w n GLN 33 Cb 0.45 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.20 3a2w n GLN 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3a2w n GLY 34 N 1.45 0.63 3.87 1.08 0.00 -0.59 -5.02 105.19 106.61 3a2w n GLY 34 Ca 0.08 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 3a2w n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a2w s LYS 35 N -2.75 3.30 0.53 1.61 3.01 -0.97 -4.82 119.74 119.65 3a2w s LYS 35 Ca 0.00 -0.41 -0.01 0.00 -1.01 0.00 0.00 55.97 54.54 3a2w s LYS 35 Cb 0.00 -3.00 0.02 0.00 -1.01 0.00 0.00 37.83 33.84 3a2w s LYS 35 CO 0.00 0.65 0.78 -1.58 0.51 0.00 0.00 175.35 175.71 3a2w s TRP 36 N -1.32 3.04 -0.10 3.18 0.52 -0.13 -3.97 118.94 120.16 3a2w s TRP 36 Ca 0.27 0.20 -0.18 0.00 0.02 0.00 0.00 56.10 56.42 3a2w s TRP 36 Cb -0.12 -2.64 0.04 0.00 -1.15 0.00 0.00 33.47 29.60 3a2w s TRP 36 CO 0.19 -0.74 0.44 -0.59 0.02 0.00 0.00 176.95 176.27 3a2w s PHE 37 N -2.76 -0.41 -0.27 -1.98 -0.12 0.03 -0.71 117.98 111.75 3a2w s PHE 37 Ca 0.54 0.88 -0.05 0.00 -0.05 0.00 0.00 56.93 58.25 3a2w s PHE 37 Cb -0.10 0.18 0.01 0.00 -0.63 0.00 0.00 43.02 42.48 3a2w s PHE 37 CO 0.40 -0.34 0.02 0.08 -0.05 0.00 0.00 175.22 175.33 3a2w s VAL 38 N -0.50 3.55 -0.20 -2.49 1.01 0.14 -1.46 120.40 120.44 3a2w s VAL 38 Ca -0.06 -0.80 -0.09 0.00 0.00 0.00 0.00 61.98 61.03 3a2w s VAL 38 Cb -0.03 -2.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 3a2w s VAL 38 CO 0.03 0.14 0.10 -0.22 0.00 0.00 0.00 175.10 175.16 3a2w s LEU 39 N 1.44 3.99 0.03 3.92 2.96 -0.44 -2.34 118.68 128.24 3a2w s LEU 39 Ca 0.02 0.13 0.01 0.00 -0.22 0.00 0.00 54.13 54.07 3a2w s LEU 39 Cb -0.17 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.47 3a2w s LEU 39 CO -0.00 0.15 -0.05 0.72 -1.32 0.00 0.00 176.35 175.84 3a2w s PHE 40 N 0.54 0.45 0.26 5.38 -0.12 -0.97 0.31 117.98 123.83 3a2w s PHE 40 Ca 0.06 -0.47 0.11 0.00 -0.05 0.00 0.00 56.93 56.57 3a2w s PHE 40 Cb -0.12 -0.29 -0.05 0.00 -0.63 0.00 0.00 43.02 41.94 3a2w s PHE 40 CO 0.00 -0.12 -0.11 -1.54 -0.05 0.00 0.00 175.22 173.40 3a2w s SER 41 N -1.38 4.05 -0.07 1.98 1.04 -0.33 -1.46 113.70 117.51 3a2w s SER 41 Ca -0.12 -0.83 -0.11 0.00 0.48 0.00 0.00 55.95 55.38 3a2w s SER 41 Cb -0.09 -0.57 0.02 0.00 0.10 0.00 0.00 66.02 65.49 3a2w s SER 41 CO -0.00 0.03 0.28 -1.38 0.98 0.00 0.00 173.24 173.15 3a2w s HIS 42 N -2.35 -0.25 0.18 5.02 -3.43 -0.50 -3.67 115.29 110.28 3a2w s HIS 42 Ca 0.30 0.57 -0.21 0.00 -0.80 0.00 0.00 55.06 54.91 3a2w s HIS 42 Cb -0.06 0.09 0.10 0.00 -1.43 0.00 0.00 32.58 31.28 3a2w s HIS 42 CO 0.17 -0.23 1.60 -1.00 -2.00 0.00 0.00 174.74 173.28 3a2w h PRO 43 N 5.07 -0.19 -2.50 -0.38 0.13 -1.71 -3.38 132.00 129.04 3a2w h PRO 43 Ca -0.27 0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3a2w h PRO 43 Cb 1.19 0.04 -0.15 0.00 0.13 0.00 0.00 31.00 32.21 3a2w h PRO 43 CO 0.35 -0.13 0.28 0.00 -0.23 0.00 0.00 178.00 178.27 3a2w s ALA 44 N -6.03 -1.71 0.81 -0.56 0.00 -1.26 -4.31 121.76 108.69 3a2w s ALA 44 Ca -0.15 0.89 -0.11 0.00 0.00 0.00 0.00 51.96 52.60 3a2w s ALA 44 Cb 0.15 0.44 0.08 0.00 0.00 0.00 0.00 23.12 23.79 3a2w s ALA 44 CO 0.69 -0.61 1.09 -0.51 0.00 0.00 0.00 175.76 176.42 3a2w s ASP 45 N -2.15 4.21 -1.43 0.00 1.01 -1.26 -3.74 116.67 113.31 3a2w s ASP 45 Ca -0.02 1.72 -0.10 0.00 0.71 0.00 0.00 52.55 54.87 3a2w s ASP 45 Cb -0.01 -2.42 0.04 0.00 1.01 0.00 0.00 42.92 41.55 3a2w s ASP 45 CO -0.05 -2.21 1.04 0.49 0.21 0.00 0.00 175.17 174.65 3a2w n PHE 46 N -3.63 -2.49 -4.60 4.23 3.01 -1.26 -5.01 117.46 107.72 3a2w n PHE 46 Ca 0.08 0.95 -0.26 0.00 1.01 0.00 0.00 57.45 59.24 3a2w n PHE 46 Cb 0.54 -4.48 -0.14 0.00 -0.01 0.00 0.00 39.48 35.38 3a2w n PHE 46 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3a2w s THR 47 N -3.34 1.70 0.09 4.37 -4.23 -1.25 -5.10 115.64 107.88 3a2w s THR 47 Ca 0.54 -1.26 -0.35 0.00 -1.18 0.00 0.00 61.69 59.44 3a2w s THR 47 Cb -0.26 -1.49 -0.16 0.00 1.34 0.00 0.00 72.50 71.93 3a2w s THR 47 CO 0.79 0.18 1.58 1.55 -0.54 0.00 0.00 174.62 178.17 3a2w h PRO 48 N 4.75 -0.92 -0.64 3.99 0.13 -1.94 -2.41 132.00 134.95 3a2w h PRO 48 Ca -0.43 0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 64.73 3a2w h PRO 48 Cb 1.16 0.21 -0.03 0.00 0.13 0.00 0.00 31.00 32.47 3a2w h PRO 48 CO 0.43 -0.62 0.30 0.28 -0.23 0.00 0.00 178.00 178.16 3a2w h VAL 49 N -0.96 1.22 -0.62 1.56 2.07 -1.99 -2.56 116.25 114.98 3a2w h VAL 49 Ca -0.06 -0.65 0.06 0.00 0.82 0.00 0.00 66.70 66.87 3a2w h VAL 49 Cb 0.83 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 3a2w h VAL 49 CO -0.04 0.26 0.33 0.28 0.02 0.00 0.00 177.57 178.42 3a2w h SER 50 N 0.89 0.48 -0.51 0.57 0.02 -1.91 -0.84 113.55 112.26 3a2w h SER 50 Ca 0.22 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.21 3a2w h SER 50 Cb 0.14 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 3a2w h SER 50 CO -0.03 0.31 0.33 0.74 -1.14 0.00 0.00 176.83 177.05 3a2w h THR 51 N 0.62 1.13 -0.79 -2.27 2.02 -1.13 -0.43 112.91 112.06 3a2w h THR 51 Ca 0.28 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 67.21 3a2w h THR 51 Cb 0.18 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 66.94 3a2w h THR 51 CO -0.18 0.12 0.43 0.71 0.37 0.00 0.00 175.52 176.97 3a2w h THR 52 N 0.68 1.24 -0.61 3.16 1.35 -1.01 -1.07 112.91 116.65 3a2w h THR 52 Ca 0.19 -0.60 -0.02 0.00 -0.55 0.00 0.00 66.41 65.42 3a2w h THR 52 Cb -0.08 0.19 -0.03 0.00 -1.73 0.00 0.00 68.15 66.51 3a2w h THR 52 CO -0.04 0.27 0.29 -0.33 -0.25 0.00 0.00 175.52 175.45 3a2w h GLU 53 N 1.09 0.88 -0.58 4.72 5.08 -0.53 -0.20 114.58 125.04 3a2w h GLU 53 Ca 0.28 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 3a2w h GLU 53 Cb 0.04 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 3a2w h GLU 53 CO -0.04 0.71 0.19 0.74 -1.00 0.00 0.00 179.01 179.61 3a2w h PHE 54 N 0.84 0.93 -0.72 4.33 -1.00 -0.70 -0.55 116.94 120.07 3a2w h PHE 54 Ca 0.21 -0.09 0.00 0.00 2.81 0.00 0.00 57.97 60.90 3a2w h PHE 54 Cb 0.12 -0.27 -0.04 0.00 3.61 0.00 0.00 35.95 39.38 3a2w h PHE 54 CO 0.00 0.77 0.46 0.28 -1.61 0.00 0.00 178.31 178.21 3a2w h VAL 55 N 0.82 1.19 -0.54 -0.55 2.07 -0.90 -0.85 116.25 117.48 3a2w h VAL 55 Ca 0.19 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3a2w h VAL 55 Cb 0.27 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 3a2w h VAL 55 CO -0.01 0.19 0.30 -1.28 0.02 0.00 0.00 177.57 176.79 3a2w h SER 56 N 0.97 0.68 -0.69 0.57 0.87 -0.53 -1.11 113.55 114.31 3a2w h SER 56 Ca 0.26 -0.09 -0.07 0.00 -1.23 0.00 0.00 61.79 60.66 3a2w h SER 56 Cb -0.08 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.68 3a2w h SER 56 CO -0.05 0.57 0.18 -0.26 -0.53 0.00 0.00 176.83 176.74 3a2w h PHE 57 N 0.73 1.16 -0.10 2.24 -1.00 -0.76 -2.84 116.94 116.36 3a2w h PHE 57 Ca 0.19 -0.13 -0.00 0.00 2.81 0.00 0.00 57.97 60.84 3a2w h PHE 57 Cb 0.04 -0.33 -0.01 0.00 3.61 0.00 0.00 35.95 39.27 3a2w h PHE 57 CO -0.02 0.94 0.06 0.00 -1.61 0.00 0.00 178.31 177.69 3a2w h ALA 58 N 1.13 0.13 0.00 2.45 0.00 -0.68 -1.35 119.26 120.94 3a2w h ALA 58 Ca 0.22 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3a2w h ALA 58 Cb 0.36 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3a2w h ALA 58 CO 0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 179.25 178.87 3a2w h ARG 59 N 0.12 0.00 -0.44 0.00 2.47 -1.15 -1.73 114.38 113.64 3a2w h ARG 59 Ca 0.04 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 3a2w h ARG 59 Cb 0.02 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.34 3a2w h ARG 59 CO -0.01 0.02 0.00 0.54 0.56 0.00 0.00 179.97 181.08 3a2w n ARG 60 N -3.50 3.20 -0.26 0.04 1.74 -0.83 -4.58 116.66 112.47 3a2w n ARG 60 Ca -0.03 -2.58 -0.03 0.00 -0.77 0.00 0.00 57.85 54.45 3a2w n ARG 60 Cb 0.11 -1.65 0.14 0.00 -1.02 0.00 0.00 32.46 30.04 3a2w n ARG 60 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 3a2w h TYR 61 N 2.77 1.09 -0.44 -1.55 3.20 -0.31 -2.40 116.97 119.33 3a2w h TYR 61 Ca 0.00 -0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.85 3a2w h TYR 61 Cb 1.19 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 39.08 3a2w h TYR 61 CO 0.50 0.78 0.26 1.49 -1.64 0.00 0.00 178.16 179.55 3a2w h GLU 62 N 1.10 0.52 -0.73 1.82 4.57 -1.81 -0.73 114.58 119.32 3a2w h GLU 62 Ca 0.27 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.41 3a2w h GLU 62 Cb 0.07 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.51 3a2w h GLU 62 CO -0.04 0.34 0.43 -0.44 -1.18 0.00 0.00 179.01 178.12 3a2w h ASP 63 N 0.53 0.89 -0.24 1.04 3.32 -1.77 -1.76 116.42 118.44 3a2w h ASP 63 Ca 0.17 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 3a2w h ASP 63 Cb -0.00 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 3a2w h ASP 63 CO -0.07 0.71 -0.04 -0.26 -1.72 0.00 0.00 179.24 177.86 3a2w h PHE 64 N 1.00 0.51 -0.66 4.55 -1.00 -1.16 -3.14 116.94 117.05 3a2w h PHE 64 Ca 0.26 -0.10 0.09 0.00 2.81 0.00 0.00 57.97 61.03 3a2w h PHE 64 Cb -0.01 -0.13 -0.07 0.00 3.61 0.00 0.00 35.95 39.35 3a2w h PHE 64 CO -0.01 0.66 0.29 1.96 -1.61 0.00 0.00 178.31 179.61 3a2w h GLN 65 N 0.21 0.49 0.00 1.51 1.08 -0.92 -0.13 115.11 117.34 3a2w h GLN 65 Ca 0.06 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 3a2w h GLN 65 Cb 0.49 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 3a2w h GLN 65 CO 0.02 0.33 0.00 0.00 -0.95 0.00 0.00 178.83 178.23 3a2w h ARG 66 N 0.51 0.00 -0.05 1.46 3.08 -1.29 -0.51 114.38 117.57 3a2w h ARG 66 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 3a2w h ARG 66 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 3a2w h ARG 66 CO -0.28 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 179.90 3a2w n LEU 67 N -2.74 2.57 -1.24 3.04 4.77 -0.19 -4.93 117.00 118.29 3a2w n LEU 67 Ca -0.01 -0.89 -0.08 0.00 -0.03 0.00 0.00 56.01 55.00 3a2w n LEU 67 Cb 0.15 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.23 3a2w n LEU 67 CO 0.19 0.44 -0.02 0.61 -1.33 0.00 0.00 177.39 177.29 3a2w n GLY 68 N 1.31 0.19 3.26 -0.72 0.00 -0.20 -4.88 105.19 104.14 3a2w n GLY 68 Ca 0.16 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 3a2w n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a2w s VAL 69 N -2.71 2.34 0.32 1.61 1.01 -0.44 -0.95 120.40 121.58 3a2w s VAL 69 Ca 0.10 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 61.23 3a2w s VAL 69 Cb -0.04 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 3a2w s VAL 69 CO 0.12 0.55 0.29 -0.62 0.00 0.00 0.00 175.10 175.44 3a2w s ASP 70 N 0.40 5.41 0.07 3.32 -1.08 0.11 -3.47 116.67 121.43 3a2w s ASP 70 Ca -0.15 -0.41 0.09 0.00 -0.52 0.00 0.00 52.55 51.55 3a2w s ASP 70 Cb -0.17 -1.09 -0.03 0.00 -1.46 0.00 0.00 42.92 40.16 3a2w s ASP 70 CO 0.07 -0.29 -0.23 -0.76 0.52 0.00 0.00 175.17 174.47 3a2w s LEU 71 N -3.98 2.21 -0.23 -1.34 1.43 -1.26 -0.68 118.68 114.83 3a2w s LEU 71 Ca 0.40 -0.61 -0.09 0.00 -1.03 0.00 0.00 54.13 52.80 3a2w s LEU 71 Cb -0.07 -1.09 0.10 0.00 0.03 0.00 0.00 46.19 45.16 3a2w s LEU 71 CO 0.27 0.18 0.51 -0.51 0.23 0.00 0.00 176.35 177.03 3a2w s ILE 72 N -0.90 -0.63 0.72 -0.59 2.07 -0.99 -4.19 121.20 116.69 3a2w s ILE 72 Ca 0.10 0.09 -0.05 0.00 -1.41 0.00 0.00 60.65 59.38 3a2w s ILE 72 Cb -0.10 -0.79 0.15 0.00 0.13 0.00 0.00 42.46 41.85 3a2w s ILE 72 CO 0.03 0.04 0.98 0.61 -1.91 0.00 0.00 174.94 174.69 3a2w n GLY 73 N 5.19 0.01 3.64 1.50 0.00 0.42 -2.29 105.19 113.66 3a2w n GLY 73 Ca -0.12 -1.93 -0.06 0.00 0.00 0.00 0.00 46.02 43.92 3a2w n GLY 73 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3a2w s LEU 74 N 0.00 -0.58 0.22 0.99 1.98 -0.53 -0.03 118.68 120.73 3a2w s LEU 74 Ca 0.62 0.98 -0.17 0.00 -2.89 0.00 0.00 54.13 52.67 3a2w s LEU 74 Cb -0.03 1.93 0.02 0.00 0.66 0.00 0.00 46.19 48.77 3a2w s LEU 74 CO 0.42 -0.16 0.55 -0.94 -1.89 0.00 0.00 176.35 174.32 3a2w s SER 75 N 1.05 -0.21 0.00 3.68 1.04 -1.11 -1.41 113.70 116.73 3a2w s SER 75 Ca -0.05 -0.62 0.18 0.00 0.48 0.00 0.00 55.95 55.94 3a2w s SER 75 Cb -0.04 0.61 1.04 0.00 0.10 0.00 0.00 66.02 67.72 3a2w s SER 75 CO -0.13 -1.13 1.68 1.33 0.98 0.00 0.00 173.24 175.97 3a2w n VAL 76 N -0.37 0.03 -1.80 5.02 0.24 -1.26 -1.62 118.33 118.56 3a2w n VAL 76 Ca -0.07 -0.04 -0.29 0.00 -2.04 0.00 0.00 64.34 61.90 3a2w n VAL 76 Cb 0.62 -0.20 0.09 0.00 -1.47 0.00 0.00 33.84 32.87 3a2w n VAL 76 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3a2w s ASP 77 N -1.57 4.50 0.79 -1.34 -0.00 -1.26 -3.13 116.67 114.66 3a2w s ASP 77 Ca 0.28 0.92 -0.10 0.00 -0.00 0.00 0.00 52.55 53.65 3a2w s ASP 77 Cb 0.13 -1.50 0.09 0.00 -0.00 0.00 0.00 42.92 41.64 3a2w s ASP 77 CO 0.22 -1.92 1.14 -0.94 -0.00 0.00 0.00 175.17 173.66 3a2w s SER 78 N -4.39 4.38 0.38 0.27 1.04 -1.26 -3.58 113.70 110.54 3a2w s SER 78 Ca 0.61 0.53 0.18 0.00 0.48 0.00 0.00 55.95 57.75 3a2w s SER 78 Cb -0.12 -1.00 0.73 0.00 0.10 0.00 0.00 66.02 65.73 3a2w s SER 78 CO 0.51 -1.93 1.77 -0.37 0.98 0.00 0.00 173.24 174.20 3a2w h VAL 79 N -0.97 0.96 -0.43 5.02 -1.51 -1.94 -2.62 116.25 114.76 3a2w h VAL 79 Ca -0.45 -1.45 -0.08 0.00 -1.23 0.00 0.00 66.70 63.50 3a2w h VAL 79 Cb 1.31 1.86 -0.02 0.00 -2.13 0.00 0.00 31.29 32.30 3a2w h VAL 79 CO 0.58 0.37 -0.05 -0.26 -1.23 0.00 0.00 177.57 176.98 3a2w h PHE 80 N 0.00 0.79 -0.12 5.19 -1.00 -2.00 -1.85 116.94 117.95 3a2w h PHE 80 Ca -0.00 -0.12 -0.18 0.00 2.81 0.00 0.00 57.97 60.47 3a2w h PHE 80 Cb 0.83 -0.21 -0.00 0.00 3.61 0.00 0.00 35.95 40.17 3a2w h PHE 80 CO 0.00 0.77 -0.68 0.77 -1.61 0.00 0.00 178.31 177.56 3a2w h SER 81 N 0.68 0.60 -0.52 2.17 0.02 -1.89 -1.94 113.55 112.66 3a2w h SER 81 Ca 0.13 -0.37 -0.03 0.00 -0.84 0.00 0.00 61.79 60.68 3a2w h SER 81 Cb 0.50 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 3a2w h SER 81 CO 0.03 1.11 0.22 0.45 -1.14 0.00 0.00 176.83 177.50 3a2w h HIS 82 N 0.37 0.79 -0.26 3.45 3.86 -1.13 0.25 115.15 122.47 3a2w h HIS 82 Ca -0.02 -0.05 -0.06 0.00 -1.16 0.00 0.00 60.37 59.07 3a2w h HIS 82 Cb 1.25 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 29.48 3a2w h HIS 82 CO 0.05 0.64 -0.09 0.82 0.86 0.00 0.00 177.93 180.22 3a2w h ILE 83 N 0.71 1.29 -0.72 2.45 2.04 -1.32 0.16 117.51 122.11 3a2w h ILE 83 Ca 0.18 -1.13 -0.04 0.00 1.00 0.00 0.00 64.86 64.87 3a2w h ILE 83 Cb 0.18 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 3a2w h ILE 83 CO -0.02 0.35 0.30 0.11 0.00 0.00 0.00 178.15 178.90 3a2w h LYS 84 N 0.27 1.07 -0.60 2.37 1.79 -1.21 -0.52 116.57 119.73 3a2w h LYS 84 Ca 0.06 -0.19 -0.09 0.00 -2.18 0.00 0.00 60.65 58.26 3a2w h LYS 84 Cb 0.57 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 31.02 3a2w h LYS 84 CO 0.03 0.87 0.04 2.35 -1.08 0.00 0.00 179.45 181.66 3a2w h TRP 85 N 1.03 1.12 -0.51 -1.35 7.01 -0.36 -1.68 115.95 121.21 3a2w h TRP 85 Ca 0.24 -0.18 -0.05 0.00 2.11 0.00 0.00 58.89 61.01 3a2w h TRP 85 Cb 0.19 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 26.93 3a2w h TRP 85 CO 0.01 0.98 0.11 0.87 -2.79 0.00 0.00 178.44 177.62 3a2w h LYS 86 N 0.94 0.78 -0.67 2.65 1.57 -0.22 -2.11 116.57 119.50 3a2w h LYS 86 Ca 0.18 -0.16 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 3a2w h LYS 86 Cb 0.51 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 3a2w h LYS 86 CO 0.02 0.71 0.12 0.93 -0.57 0.00 0.00 179.45 180.66 3a2w h GLU 87 N 0.75 1.11 -0.51 3.15 5.08 -0.61 -2.33 114.58 121.21 3a2w h GLU 87 Ca 0.16 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 3a2w h GLU 87 Cb 0.30 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3a2w h GLU 87 CO 0.00 1.01 0.23 2.35 -1.00 0.00 0.00 179.01 181.60 3a2w h TRP 88 N 1.04 0.76 -0.25 4.33 7.01 -0.91 -1.04 115.95 126.89 3a2w h TRP 88 Ca 0.21 -0.05 0.03 0.00 2.11 0.00 0.00 58.89 61.19 3a2w h TRP 88 Cb 0.43 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 27.23 3a2w h TRP 88 CO 0.03 0.61 0.06 0.82 -2.79 0.00 0.00 178.44 177.17 3a2w h ILE 89 N 0.69 0.90 0.00 2.65 1.08 -1.17 0.15 117.51 121.81 3a2w h ILE 89 Ca 0.17 -0.05 -0.09 0.00 -0.39 0.00 0.00 64.86 64.50 3a2w h ILE 89 Cb 0.15 0.73 -0.01 0.00 -3.07 0.00 0.00 36.82 34.62 3a2w h ILE 89 CO -0.02 0.03 -0.45 -0.08 -0.69 0.00 0.00 178.15 176.94 3a2w h GLU 90 N 0.16 0.00 0.16 2.37 4.81 -1.27 0.11 114.58 120.91 3a2w h GLU 90 Ca 0.11 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 59.06 3a2w h GLU 90 Cb 0.10 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.51 3a2w h GLU 90 CO -0.14 0.45 -1.18 -0.09 -0.73 0.00 0.00 179.01 177.32 3a2w h ARG 91 N 0.00 0.53 0.01 1.92 9.65 -0.67 -2.96 114.38 122.84 3a2w h ARG 91 Ca -0.00 -0.77 -0.37 0.00 -1.10 0.00 0.00 59.98 57.73 3a2w h ARG 91 Cb 0.80 0.27 -0.07 0.00 -1.39 0.00 0.00 29.97 29.58 3a2w h ARG 91 CO 0.06 1.35 -2.36 0.72 2.80 0.00 0.00 179.97 182.54 3a2w n HIS 92 N -3.87 0.15 -0.03 2.20 8.25 0.47 -4.53 115.22 117.86 3a2w n HIS 92 Ca -0.14 0.04 -0.07 0.00 -0.26 0.00 0.00 57.72 57.28 3a2w n HIS 92 Cb 0.96 -1.02 -0.14 0.00 1.12 0.00 0.00 29.99 30.91 3a2w n HIS 92 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3a2w n ILE 93 N -3.05 1.48 -0.60 1.59 2.08 0.32 -4.49 119.36 116.71 3a2w n ILE 93 Ca -0.38 -0.79 0.00 0.00 0.56 0.00 0.00 62.75 62.14 3a2w n ILE 93 Cb 1.07 -0.86 0.00 0.00 -0.75 0.00 0.00 39.64 39.10 3a2w n ILE 93 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3a2w n GLY 94 N 1.57 0.68 3.35 7.39 0.00 -0.88 -4.93 105.19 112.38 3a2w n GLY 94 Ca -0.19 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 3a2w n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a2w s VAL 95 N -2.00 2.85 -0.26 1.61 1.01 -1.24 -4.95 120.40 117.42 3a2w s VAL 95 Ca 0.00 -0.74 -0.13 0.00 0.00 0.00 0.00 61.98 61.11 3a2w s VAL 95 Cb 0.00 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 3a2w s VAL 95 CO 0.00 0.54 0.27 -0.60 0.00 0.00 0.00 175.10 175.31 3a2w s ARG 96 N 0.22 4.03 -0.49 2.72 3.52 -1.26 -2.93 118.95 124.75 3a2w s ARG 96 Ca -0.10 -0.12 -0.29 0.00 -0.13 0.00 0.00 55.73 55.09 3a2w s ARG 96 Cb -0.16 -3.62 0.03 0.00 -1.56 0.00 0.00 34.95 29.64 3a2w s ARG 96 CO 0.06 -0.14 1.20 0.42 -0.81 0.00 0.00 175.30 176.03 3a2w s ILE 97 N 1.65 4.10 -0.92 4.11 -1.09 -1.26 -4.89 121.20 122.90 3a2w s ILE 97 Ca 0.11 1.09 0.27 0.00 -2.23 0.00 0.00 60.65 59.90 3a2w s ILE 97 Cb -0.15 -4.56 0.20 0.00 -1.58 0.00 0.00 42.46 36.37 3a2w s ILE 97 CO 0.09 -1.04 1.78 -0.81 -1.23 0.00 0.00 174.94 173.72 3a2w n PRO 98 N 8.03 0.08 -4.02 2.79 -0.04 -1.26 -4.93 135.00 135.64 3a2w n PRO 98 Ca 0.12 0.05 -0.22 0.00 -0.04 0.00 0.00 63.50 63.42 3a2w n PRO 98 Cb 0.49 -1.58 -0.04 0.00 -0.04 0.00 0.00 33.50 32.32 3a2w n PRO 98 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3a2w s PHE 99 N -3.03 2.97 0.34 0.54 -0.12 -1.26 -5.11 117.98 112.31 3a2w s PHE 99 Ca 0.12 -0.21 -0.26 0.00 -0.05 0.00 0.00 56.93 56.53 3a2w s PHE 99 Cb 0.17 -1.54 -0.09 0.00 -0.63 0.00 0.00 43.02 40.93 3a2w s PHE 99 CO 0.58 0.40 1.05 -1.25 -0.05 0.00 0.00 175.22 175.95 3a2w s PRO 100 N -3.88 4.40 -0.12 1.99 0.04 -1.26 -4.91 135.00 131.26 3a2w s PRO 100 Ca 0.36 1.60 0.03 0.00 0.04 0.00 0.00 61.00 63.03 3a2w s PRO 100 Cb -0.07 -2.83 0.00 0.00 0.04 0.00 0.00 34.50 31.65 3a2w s PRO 100 CO 0.25 0.05 -0.22 0.42 0.04 0.00 0.00 177.00 177.53 3a2w s ILE 101 N -1.45 2.16 0.23 0.56 -1.09 -1.26 -0.44 121.20 119.90 3a2w s ILE 101 Ca 0.52 -0.97 -0.30 0.00 -2.23 0.00 0.00 60.65 57.67 3a2w s ILE 101 Cb -0.26 -1.85 -0.09 0.00 -1.58 0.00 0.00 42.46 38.69 3a2w s ILE 101 CO 0.32 0.55 1.07 -0.63 -1.23 0.00 0.00 174.94 175.03 3a2w s ILE 102 N 0.54 3.75 -0.41 2.92 1.01 0.96 -2.30 121.20 127.67 3a2w s ILE 102 Ca -0.13 1.65 -0.13 0.00 0.00 0.00 0.00 60.65 62.03 3a2w s ILE 102 Cb -0.17 -4.05 0.04 0.00 0.01 0.00 0.00 42.46 38.29 3a2w s ILE 102 CO 0.04 0.35 0.27 0.00 0.00 0.00 0.00 174.94 175.60 3a2w s ALA 103 N -0.77 3.39 -0.46 9.38 0.00 0.12 -2.77 121.76 130.65 3a2w s ALA 103 Ca 0.46 -1.81 0.05 0.00 0.00 0.00 0.00 51.96 50.65 3a2w s ALA 103 Cb -0.30 -2.78 0.41 0.00 0.00 0.00 0.00 23.12 20.46 3a2w s ALA 103 CO 0.37 -1.49 1.12 -3.47 0.00 0.00 0.00 175.76 172.29 3a2w n ASP 104 N 5.08 4.76 -4.75 0.00 2.03 -0.64 -4.50 116.55 118.54 3a2w n ASP 104 Ca -0.11 -3.72 -0.37 0.00 0.52 0.00 0.00 54.79 51.10 3a2w n ASP 104 Cb 0.46 -0.48 0.04 0.00 -0.72 0.00 0.00 41.12 40.42 3a2w n ASP 104 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3a2w s PRO 105 N -3.55 3.06 0.00 -0.67 0.04 -1.18 -1.11 135.00 131.59 3a2w s PRO 105 Ca 0.48 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.58 3a2w s PRO 105 Cb 0.39 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.81 3a2w s PRO 105 CO -0.19 -1.20 0.00 1.04 0.04 0.00 0.00 177.00 176.69 3a2w n GLN 106 N -1.25 0.00 -1.49 4.56 1.13 -1.26 -4.46 117.38 114.61 3a2w n GLN 106 Ca 0.12 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 55.07 3a2w n GLN 106 Cb 0.47 -0.40 -0.04 0.00 0.11 0.00 0.00 30.24 30.38 3a2w n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3a2w n GLY 107 N -1.61 0.96 0.17 1.08 0.00 -0.27 -4.92 105.19 100.59 3a2w n GLY 107 Ca 0.00 -0.52 -0.06 0.00 0.00 0.00 0.00 46.02 45.45 3a2w n GLY 107 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3a2w h THR 108 N 0.00 0.90 0.14 2.61 2.02 -1.78 -0.75 112.91 116.04 3a2w h THR 108 Ca -0.23 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 3a2w h THR 108 Cb 0.80 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 3a2w h THR 108 CO 0.32 0.06 -0.07 0.58 0.37 0.00 0.00 175.52 176.78 3a2w h VAL 109 N 0.32 0.99 -0.88 3.16 2.07 -1.91 -2.65 116.25 117.34 3a2w h VAL 109 Ca 0.18 -0.54 0.22 0.00 0.82 0.00 0.00 66.70 67.37 3a2w h VAL 109 Cb 0.14 1.33 -0.12 0.00 -1.52 0.00 0.00 31.29 31.12 3a2w h VAL 109 CO -0.17 0.13 0.36 0.00 0.02 0.00 0.00 177.57 177.91 3a2w h ALA 110 N 0.38 1.38 0.04 1.67 0.00 -1.84 -1.71 119.26 119.17 3a2w h ALA 110 Ca -0.02 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3a2w h ALA 110 Cb 0.35 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3a2w h ALA 110 CO 0.03 -0.35 -0.02 0.00 0.00 0.00 0.00 179.25 178.91 3a2w h ARG 111 N 0.37 -0.05 -0.96 0.00 3.08 -1.08 0.41 114.38 116.15 3a2w h ARG 111 Ca 0.55 0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.75 3a2w h ARG 111 Cb 1.04 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 31.02 3a2w h ARG 111 CO -0.54 0.31 0.61 -0.09 -1.07 0.00 0.00 179.97 179.19 3a2w h ARG 112 N -0.42 0.79 -0.19 0.04 9.65 -0.99 -0.13 114.38 123.14 3a2w h ARG 112 Ca -0.01 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 3a2w h ARG 112 Cb 0.38 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.79 3a2w h ARG 112 CO 0.01 0.52 0.00 1.28 2.80 0.00 0.00 179.97 184.58 3a2w n LEU 113 N -4.63 2.20 -3.48 3.80 4.77 -0.72 -4.33 117.00 114.61 3a2w n LEU 113 Ca 0.20 -0.89 -0.18 0.00 -0.03 0.00 0.00 56.01 55.10 3a2w n LEU 113 Cb 0.46 -0.12 0.08 0.00 -2.33 0.00 0.00 43.42 41.52 3a2w n LEU 113 CO 0.27 0.44 0.11 0.61 -1.33 0.00 0.00 177.39 177.49 3a2w n GLY 114 N 1.25 -0.38 0.32 -0.72 0.00 -0.06 -4.50 105.19 101.10 3a2w n GLY 114 Ca 0.17 0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.43 3a2w n GLY 114 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a2w n LEU 115 N -4.25 1.47 -4.42 0.99 4.77 0.13 -4.80 117.00 110.88 3a2w n LEU 115 Ca -0.25 -0.51 -0.44 0.00 -0.03 0.00 0.00 56.01 54.78 3a2w n LEU 115 Cb 0.66 -0.06 -0.08 0.00 -2.33 0.00 0.00 43.42 41.61 3a2w n LEU 115 CO 0.62 0.28 0.06 -0.76 -1.33 0.00 0.00 177.39 176.27 3a2w s LEU 116 N -2.59 5.34 0.00 2.23 1.43 -1.26 -0.78 118.68 123.05 3a2w s LEU 116 Ca 0.18 -1.11 0.00 0.00 -1.03 0.00 0.00 54.13 52.18 3a2w s LEU 116 Cb 0.18 -2.24 0.00 0.00 0.03 0.00 0.00 46.19 44.17 3a2w s LEU 116 CO 0.60 -0.63 0.00 1.41 0.23 0.00 0.00 176.35 177.97 3a2w n HIS 117 N 5.37 -2.65 0.23 0.29 8.25 -1.25 -4.99 115.22 120.47 3a2w n HIS 117 Ca -0.11 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.44 3a2w n HIS 117 Cb 0.45 0.00 0.55 0.00 1.12 0.00 0.00 29.99 32.11 3a2w n HIS 117 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3a2w h ALA 118 N 0.47 1.25 -0.38 -1.41 0.00 -1.98 -2.95 119.26 114.25 3a2w h ALA 118 Ca 0.00 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 54.80 3a2w h ALA 118 Cb 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3a2w h ALA 118 CO 0.00 0.28 0.27 0.93 0.00 0.00 0.00 179.25 180.73 3a2w h GLU 119 N 0.00 0.07 -1.75 0.00 5.08 -1.96 -3.43 114.58 112.60 3a2w h GLU 119 Ca -0.00 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3a2w h GLU 119 Cb 0.54 -0.02 -0.24 0.00 0.50 0.00 0.00 28.75 29.53 3a2w h GLU 119 CO 0.03 0.05 0.32 0.45 -1.00 0.00 0.00 179.01 178.86 3a2w s SER 120 N -6.48 -0.57 0.00 1.42 0.15 -1.11 -5.03 113.70 102.08 3a2w s SER 120 Ca -0.05 1.09 0.23 0.00 0.70 0.00 0.00 55.95 57.91 3a2w s SER 120 Cb 0.19 1.12 0.11 0.00 -1.71 0.00 0.00 66.02 65.73 3a2w s SER 120 CO 0.72 -0.19 1.14 0.00 1.20 0.00 0.00 173.24 176.11 3a2w n ALA 121 N 2.52 4.12 -0.11 5.45 0.00 -1.26 -3.84 120.51 127.39 3a2w n ALA 121 Ca -0.13 -0.50 -0.14 0.00 0.00 0.00 0.00 53.44 52.66 3a2w n ALA 121 Cb 0.56 -0.92 -0.13 0.00 0.00 0.00 0.00 19.45 18.96 3a2w n ALA 121 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3a2w n THR 122 N -1.31 1.36 -5.04 0.00 -2.24 -1.26 -5.00 114.28 100.79 3a2w n THR 122 Ca 0.06 -0.65 -0.29 0.00 -2.27 0.00 0.00 64.05 60.89 3a2w n THR 122 Cb 0.35 -1.00 -0.15 0.00 -2.10 0.00 0.00 70.33 67.43 3a2w n THR 122 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3a2w s HIS 123 N -2.48 2.19 0.58 4.78 4.02 -1.26 -4.92 115.29 118.19 3a2w s HIS 123 Ca -0.23 -0.41 -0.18 0.00 1.02 0.00 0.00 55.06 55.27 3a2w s HIS 123 Cb 0.07 -1.36 -0.04 0.00 -1.02 0.00 0.00 32.58 30.23 3a2w s HIS 123 CO 0.66 0.04 1.10 0.95 1.02 0.00 0.00 174.74 178.50 3a2w s THR 124 N -0.68 3.38 0.00 1.30 -4.23 -1.26 -4.63 115.64 109.52 3a2w s THR 124 Ca 0.10 0.76 0.00 0.00 -1.18 0.00 0.00 61.69 61.37 3a2w s THR 124 Cb -0.10 -3.27 0.00 0.00 1.34 0.00 0.00 72.50 70.47 3a2w s THR 124 CO 0.00 -0.28 0.00 1.33 -0.54 0.00 0.00 174.62 175.13 3a2w n VAL 125 N -1.69 0.00 -3.45 2.29 0.24 0.04 -2.87 118.33 112.88 3a2w n VAL 125 Ca 0.10 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.97 3a2w n VAL 125 Cb 0.52 -1.49 -0.04 0.00 -1.47 0.00 0.00 33.84 31.36 3a2w n VAL 125 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3a2w s ARG 126 N -1.04 3.49 0.15 7.34 0.52 0.27 -3.94 118.95 125.74 3a2w s ARG 126 Ca 0.00 -2.77 -0.00 0.00 -0.52 0.00 0.00 55.73 52.44 3a2w s ARG 126 Cb 0.00 -4.26 -0.04 0.00 0.52 0.00 0.00 34.95 31.17 3a2w s ARG 126 CO 0.00 -1.25 0.32 0.20 0.02 0.00 0.00 175.30 174.59 3a2w s GLY 127 N 1.35 1.90 -0.06 -3.53 0.00 -1.24 -0.14 107.32 105.59 3a2w s GLY 127 Ca 0.22 -0.86 -0.00 0.00 0.00 0.00 0.00 44.72 44.07 3a2w s GLY 127 CO -0.08 -0.83 -0.02 0.14 0.00 0.00 0.00 173.10 172.31 3a2w s VAL 128 N -1.74 0.44 -0.16 1.40 1.01 0.56 -1.19 120.40 120.73 3a2w s VAL 128 Ca 0.37 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.38 3a2w s VAL 128 Cb -0.12 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.72 3a2w s VAL 128 CO 0.28 0.25 -0.17 -0.36 0.00 0.00 0.00 175.10 175.10 3a2w s PHE 129 N 1.58 2.76 -0.31 5.22 0.40 0.15 -1.22 117.98 126.54 3a2w s PHE 129 Ca -0.01 -1.18 -0.11 0.00 -0.60 0.00 0.00 56.93 55.03 3a2w s PHE 129 Cb -0.13 -1.88 -0.02 0.00 0.51 0.00 0.00 43.02 41.50 3a2w s PHE 129 CO -0.04 -0.55 0.19 0.42 0.70 0.00 0.00 175.22 175.95 3a2w s ILE 130 N 0.89 4.97 -0.12 0.64 -1.09 -0.55 -1.32 121.20 124.62 3a2w s ILE 130 Ca -0.04 -0.23 0.03 0.00 -2.23 0.00 0.00 60.65 58.18 3a2w s ILE 130 Cb -0.15 -3.51 0.01 0.00 -1.58 0.00 0.00 42.46 37.23 3a2w s ILE 130 CO -0.02 0.08 -0.22 -0.69 -1.23 0.00 0.00 174.94 172.86 3a2w s VAL 131 N 1.68 2.02 0.91 2.92 1.01 -0.54 0.01 120.40 128.41 3a2w s VAL 131 Ca 0.06 -0.98 -0.14 0.00 0.00 0.00 0.00 61.98 60.92 3a2w s VAL 131 Cb -0.17 -1.77 0.16 0.00 0.00 0.00 0.00 36.38 34.60 3a2w s VAL 131 CO 0.09 0.55 1.26 1.51 0.00 0.00 0.00 175.10 178.50 3a2w s ASP 132 N 0.60 3.60 0.40 3.32 1.47 -0.59 -0.79 116.67 124.68 3a2w s ASP 132 Ca -0.13 0.49 0.25 0.00 1.18 0.00 0.00 52.55 54.34 3a2w s ASP 132 Cb -0.17 -0.71 1.34 0.00 -0.34 0.00 0.00 42.92 43.04 3a2w s ASP 132 CO 0.03 -2.45 1.74 0.00 0.68 0.00 0.00 175.17 175.17 3a2w h ALA 133 N -1.44 1.05 -0.29 2.11 0.00 -1.88 0.38 119.26 119.18 3a2w h ALA 133 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3a2w h ALA 133 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3a2w h ALA 133 CO 0.49 -0.05 0.00 0.54 0.00 0.00 0.00 179.25 180.23 3a2w n ARG 134 N -2.40 2.05 -1.15 0.00 1.74 -1.26 -4.53 116.66 111.11 3a2w n ARG 134 Ca -0.02 -1.59 -0.05 0.00 -0.77 0.00 0.00 57.85 55.42 3a2w n ARG 134 Cb 0.11 -1.43 -0.02 0.00 -1.02 0.00 0.00 32.46 30.10 3a2w n ARG 134 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3a2w n GLY 135 N 1.27 0.76 3.84 -0.13 0.00 0.13 -4.94 105.19 106.13 3a2w n GLY 135 Ca 0.17 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 3a2w n GLY 135 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a2w s VAL 136 N -2.12 5.44 -0.01 1.61 1.01 -1.25 0.29 120.40 125.36 3a2w s VAL 136 Ca 0.00 0.28 -0.30 0.00 0.00 0.00 0.00 61.98 61.96 3a2w s VAL 136 Cb 0.00 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.88 3a2w s VAL 136 CO 0.00 0.57 1.35 -0.63 0.00 0.00 0.00 175.10 176.40 3a2w s ILE 137 N -0.70 3.82 -0.10 2.22 1.01 -0.46 -1.54 121.20 125.44 3a2w s ILE 137 Ca 0.15 1.20 0.12 0.00 0.00 0.00 0.00 60.65 62.11 3a2w s ILE 137 Cb -0.12 -3.77 -0.18 0.00 0.01 0.00 0.00 42.46 38.40 3a2w s ILE 137 CO 0.04 0.00 0.11 0.54 0.00 0.00 0.00 174.94 175.63 3a2w n ARG 138 N 5.26 1.51 -3.51 2.79 5.12 0.10 -0.59 116.66 127.33 3a2w n ARG 138 Ca 0.13 -0.04 -0.17 0.00 -1.93 0.00 0.00 57.85 55.84 3a2w n ARG 138 Cb 0.44 -1.33 -0.06 0.00 -1.16 0.00 0.00 32.46 30.35 3a2w n ARG 138 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3a2w s THR 139 N -2.48 0.00 -0.02 0.55 2.01 -1.22 -4.90 115.64 109.58 3a2w s THR 139 Ca -0.06 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.94 3a2w s THR 139 Cb 0.05 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.58 3a2w s THR 139 CO 0.55 0.00 0.02 -0.04 -0.69 0.00 0.00 174.62 174.45 3a2w s MET 140 N -1.38 0.03 -0.03 4.92 -1.94 -1.26 -1.48 119.30 118.15 3a2w s MET 140 Ca -0.10 0.12 0.05 0.00 -1.71 0.00 0.00 55.69 54.05 3a2w s MET 140 Cb -0.00 -0.24 -0.01 0.00 2.01 0.00 0.00 34.83 36.59 3a2w s MET 140 CO 0.08 -0.12 -0.17 -0.51 -0.01 0.00 0.00 175.02 174.29 3a2w s LEU 141 N 0.83 1.95 -0.28 -0.03 1.43 -0.36 -4.97 118.68 117.24 3a2w s LEU 141 Ca -0.07 -0.33 0.02 0.00 -1.03 0.00 0.00 54.13 52.72 3a2w s LEU 141 Cb -0.10 -0.93 0.08 0.00 0.03 0.00 0.00 46.19 45.27 3a2w s LEU 141 CO -0.02 0.17 -0.01 -0.31 0.23 0.00 0.00 176.35 176.41 3a2w s TYR 142 N -0.09 2.89 0.14 0.29 1.51 -1.26 -0.33 117.35 120.49 3a2w s TYR 142 Ca -0.00 -2.25 0.03 0.00 -1.01 0.00 0.00 57.07 53.83 3a2w s TYR 142 Cb -0.10 -2.09 -0.04 0.00 -0.11 0.00 0.00 41.96 39.63 3a2w s TYR 142 CO 0.01 -0.86 0.22 0.71 -1.11 0.00 0.00 175.55 174.52 3a2w s TYR 143 N 1.22 3.37 0.86 2.71 1.51 0.80 -4.96 117.35 122.86 3a2w s TYR 143 Ca 0.01 0.09 -0.10 0.00 -1.01 0.00 0.00 57.07 56.06 3a2w s TYR 143 Cb -0.19 -1.63 0.16 0.00 -0.11 0.00 0.00 41.96 40.19 3a2w s TYR 143 CO -0.09 0.53 1.18 -1.25 -1.11 0.00 0.00 175.55 174.81 3a2w s PRO 144 N -3.05 1.17 0.18 -1.71 0.04 -1.26 -0.57 135.00 129.81 3a2w s PRO 144 Ca 0.33 -0.59 -0.11 0.00 0.04 0.00 0.00 61.00 60.67 3a2w s PRO 144 Cb -0.11 -2.03 0.09 0.00 0.04 0.00 0.00 34.50 32.49 3a2w s PRO 144 CO 0.27 -1.96 1.74 0.52 0.04 0.00 0.00 177.00 177.60 3a2w h MET 145 N -1.17 0.97 0.00 4.56 2.86 -1.94 -3.01 114.93 117.20 3a2w h MET 145 Ca -0.42 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.04 3a2w h MET 145 Cb 1.26 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.76 3a2w h MET 145 CO 0.42 0.82 0.00 -0.85 1.06 0.00 0.00 176.91 178.36 3a2w n GLU 146 N -4.41 0.16 -3.97 1.72 0.00 -1.26 -4.73 120.64 108.14 3a2w n GLU 146 Ca 0.04 0.29 -0.34 0.00 0.00 0.00 0.00 57.16 57.15 3a2w n GLU 146 Cb 0.18 -1.75 -0.14 0.00 0.00 0.00 0.00 31.44 29.73 3a2w n GLU 146 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 3a2w s LEU 147 N -4.06 3.07 0.40 -1.84 0.20 -1.14 -5.10 118.68 110.21 3a2w s LEU 147 Ca 0.07 -0.82 -0.24 0.00 0.69 0.00 0.00 54.13 53.83 3a2w s LEU 147 Cb 0.11 -1.65 -0.09 0.00 -0.43 0.00 0.00 46.19 44.13 3a2w s LEU 147 CO 0.44 -0.11 1.05 -0.83 -0.29 0.00 0.00 176.35 176.61 3a2w s GLY 148 N 1.33 2.74 0.85 7.98 0.00 -1.26 -4.49 107.32 114.47 3a2w s GLY 148 Ca 0.01 0.70 -0.12 0.00 0.00 0.00 0.00 44.72 45.31 3a2w s GLY 148 CO -0.05 1.13 1.11 0.50 0.00 0.00 0.00 173.10 175.79 3a2w s ARG 149 N -2.48 1.65 -0.67 2.90 0.52 -1.26 -5.01 118.95 114.60 3a2w s ARG 149 Ca 0.58 0.51 -0.10 0.00 -0.52 0.00 0.00 55.73 56.20 3a2w s ARG 149 Cb -0.22 -1.88 0.17 0.00 0.52 0.00 0.00 34.95 33.54 3a2w s ARG 149 CO 0.28 -1.89 0.55 -1.17 0.02 0.00 0.00 175.30 173.09 3a2w s LEU 150 N -5.91 6.02 0.48 2.53 2.96 -1.26 -4.96 118.68 118.54 3a2w s LEU 150 Ca 0.62 -2.51 0.18 0.00 -0.22 0.00 0.00 54.13 52.20 3a2w s LEU 150 Cb -0.15 -2.06 1.18 0.00 0.50 0.00 0.00 46.19 45.67 3a2w s LEU 150 CO 0.54 -0.56 2.01 0.58 -1.32 0.00 0.00 176.35 177.61 3a2w h VAL 151 N 5.31 0.86 0.00 1.68 2.07 -1.96 -1.83 116.25 122.38 3a2w h VAL 151 Ca -0.03 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 3a2w h VAL 151 Cb 1.02 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 3a2w h VAL 151 CO 0.79 0.04 -0.10 0.44 0.02 0.00 0.00 177.57 178.75 3a2w h ASP 152 N 0.21 0.00 0.49 0.57 3.32 -1.93 -1.81 116.42 117.27 3a2w h ASP 152 Ca 0.22 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.12 3a2w h ASP 152 Cb 0.60 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 3a2w h ASP 152 CO -0.04 0.10 -0.68 -0.08 -1.72 0.00 0.00 179.24 176.82 3a2w h GLU 153 N 0.00 0.17 -0.50 3.56 4.57 -1.69 -1.71 114.58 118.98 3a2w h GLU 153 Ca -0.00 -0.13 -0.12 0.00 -1.18 0.00 0.00 59.36 57.93 3a2w h GLU 153 Cb 0.31 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.91 3a2w h GLU 153 CO 0.01 0.78 -0.16 0.82 -1.18 0.00 0.00 179.01 179.29 3a2w h ILE 154 N 0.12 1.27 -0.47 2.32 2.04 -1.41 -0.15 117.51 121.23 3a2w h ILE 154 Ca -0.01 -1.30 -0.09 0.00 1.00 0.00 0.00 64.86 64.45 3a2w h ILE 154 Cb 1.21 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 3a2w h ILE 154 CO 0.10 0.45 -0.06 -0.07 0.00 0.00 0.00 178.15 178.57 3a2w h LEU 155 N 0.85 0.81 -0.54 1.44 3.38 -1.31 -2.08 115.31 117.86 3a2w h LEU 155 Ca 0.12 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 3a2w h LEU 155 Cb 0.71 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 3a2w h LEU 155 CO 0.05 0.91 0.04 -0.09 0.09 0.00 0.00 178.44 179.44 3a2w h ARG 156 N 0.76 0.93 0.38 1.13 2.43 -0.95 -1.66 114.38 117.38 3a2w h ARG 156 Ca 0.14 -0.28 -0.02 0.00 -0.81 0.00 0.00 59.98 59.01 3a2w h ARG 156 Cb 0.54 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.00 3a2w h ARG 156 CO 0.03 0.93 -0.20 0.82 -1.51 0.00 0.00 179.97 180.03 3a2w h ILE 157 N 0.81 0.58 -0.70 1.20 2.04 -0.77 -0.50 117.51 120.17 3a2w h ILE 157 Ca 0.16 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.03 3a2w h ILE 157 Cb 0.48 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 3a2w h ILE 157 CO 0.02 0.00 0.46 -0.37 0.00 0.00 0.00 178.15 178.26 3a2w h VAL 158 N -0.54 1.15 -0.09 1.67 -1.51 -1.33 -1.35 116.25 114.25 3a2w h VAL 158 Ca -0.05 -0.32 -0.00 0.00 -1.23 0.00 0.00 66.70 65.11 3a2w h VAL 158 Cb 0.43 0.15 -0.00 0.00 -2.13 0.00 0.00 31.29 29.73 3a2w h VAL 158 CO 0.07 0.17 0.05 0.50 -1.23 0.00 0.00 177.57 177.13 3a2w h LYS 159 N 0.92 0.13 -0.56 5.19 1.63 -1.17 -1.35 116.57 121.37 3a2w h LYS 159 Ca 0.27 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.04 3a2w h LYS 159 Cb -0.07 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.51 3a2w h LYS 159 CO -0.07 0.16 0.29 0.00 -3.45 0.00 0.00 179.45 176.38 3a2w h ALA 160 N 0.96 0.72 -0.76 5.00 0.00 -0.88 -1.56 119.26 122.74 3a2w h ALA 160 Ca 0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3a2w h ALA 160 Cb 0.07 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3a2w h ALA 160 CO -0.01 0.25 0.37 -0.07 0.00 0.00 0.00 179.25 179.80 3a2w h LEU 161 N 0.75 1.00 -0.85 0.00 4.07 -1.16 0.14 115.31 119.26 3a2w h LEU 161 Ca 0.19 -0.13 -0.08 0.00 0.08 0.00 0.00 57.88 57.94 3a2w h LEU 161 Cb 0.07 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.54 3a2w h LEU 161 CO -0.03 0.85 -0.02 0.11 -1.08 0.00 0.00 178.44 178.27 3a2w h LYS 162 N 1.07 0.84 -0.33 1.13 1.57 -0.98 -0.93 116.57 118.93 3a2w h LYS 162 Ca 0.26 -0.24 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 3a2w h LYS 162 Cb 0.12 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3a2w h LYS 162 CO -0.03 0.85 -0.16 -0.07 -0.57 0.00 0.00 179.45 179.47 3a2w h LEU 163 N 0.78 0.71 -1.11 2.94 3.38 -0.79 -2.11 115.31 119.12 3a2w h LEU 163 Ca 0.15 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 3a2w h LEU 163 Cb 0.49 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3a2w h LEU 163 CO 0.02 0.96 0.32 1.23 0.09 0.00 0.00 178.44 181.06 3a2w h GLY 164 N 0.46 1.01 0.81 0.83 0.00 -0.50 0.75 103.07 106.44 3a2w h GLY 164 Ca 0.07 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 3a2w h GLY 164 CO 0.05 0.46 -0.21 -0.55 0.00 0.00 0.00 176.54 176.29 3a2w h ASP 165 N 0.94 -0.49 -0.27 0.19 5.19 -1.03 0.83 116.42 121.78 3a2w h ASP 165 Ca 0.23 -0.08 -0.12 0.00 -0.62 0.00 0.00 57.03 56.45 3a2w h ASP 165 Cb 0.10 0.13 -0.00 0.00 0.18 0.00 0.00 39.33 39.73 3a2w h ASP 165 CO -0.03 -0.20 -0.28 0.77 -3.12 0.00 0.00 179.24 176.37 3a2w h SER 166 N -0.78 0.72 0.05 6.45 4.64 -1.29 -3.12 113.55 120.23 3a2w h SER 166 Ca -0.06 -0.48 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 3a2w h SER 166 Cb 0.54 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3a2w h SER 166 CO 0.10 1.05 -0.02 0.18 -0.87 0.00 0.00 176.83 177.27 3a2w n LEU 167 N -4.28 0.75 -3.64 5.97 4.32 0.25 -4.94 117.00 115.42 3a2w n LEU 167 Ca -0.04 -0.22 -0.27 0.00 -0.02 0.00 0.00 56.01 55.45 3a2w n LEU 167 Cb 0.47 -0.03 0.04 0.00 -1.62 0.00 0.00 43.42 42.28 3a2w n LEU 167 CO 0.44 0.13 -0.07 0.29 -1.22 0.00 0.00 177.39 176.96 3a2w n LYS 168 N -0.47 -2.07 -3.96 3.23 5.02 0.19 -5.00 118.16 115.10 3a2w n LYS 168 Ca 0.20 0.54 -0.09 0.00 -2.02 0.00 0.00 58.31 56.94 3a2w n LYS 168 Cb 0.25 -4.57 -0.10 0.00 -0.02 0.00 0.00 35.03 30.58 3a2w n LYS 168 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3a2w s ARG 169 N -5.77 0.48 0.31 1.97 1.81 -0.61 -4.67 118.95 112.47 3a2w s ARG 169 Ca 0.37 -0.72 -0.08 0.00 -1.72 0.00 0.00 55.73 53.57 3a2w s ARG 169 Cb -0.12 0.18 -0.06 0.00 -0.45 0.00 0.00 34.95 34.50 3a2w s ARG 169 CO 0.84 -0.10 0.62 0.00 -0.68 0.00 0.00 175.30 175.98 3a2w s ALA 170 N -2.24 3.51 -0.20 2.13 0.00 0.17 -4.30 121.76 120.83 3a2w s ALA 170 Ca -0.08 -0.34 -0.06 0.00 0.00 0.00 0.00 51.96 51.47 3a2w s ALA 170 Cb -0.04 -2.48 -0.03 0.00 0.00 0.00 0.00 23.12 20.57 3a2w s ALA 170 CO -0.03 0.26 0.03 0.08 0.00 0.00 0.00 175.76 176.10 3a2w s VAL 171 N -2.08 4.34 0.67 0.00 1.01 -1.26 -0.45 120.40 122.63 3a2w s VAL 171 Ca 0.48 -0.18 -0.15 0.00 0.00 0.00 0.00 61.98 62.13 3a2w s VAL 171 Cb -0.11 -2.97 0.01 0.00 0.00 0.00 0.00 36.38 33.31 3a2w s VAL 171 CO 0.27 0.43 1.11 -2.16 0.00 0.00 0.00 175.10 174.75 3a2w s PRO 172 N 0.78 2.71 0.30 2.72 0.04 -1.26 -4.96 135.00 135.31 3a2w s PRO 172 Ca 0.02 1.39 -0.30 0.00 0.04 0.00 0.00 61.00 62.15 3a2w s PRO 172 Cb -0.14 -1.94 -0.12 0.00 0.04 0.00 0.00 34.50 32.34 3a2w s PRO 172 CO 0.02 -1.32 1.46 0.00 0.04 0.00 0.00 177.00 177.19 3a2w n ALA 173 N -2.54 1.79 -1.09 8.56 0.00 -1.26 -2.13 120.51 123.85 3a2w n ALA 173 Ca 0.10 0.38 -0.03 0.00 0.00 0.00 0.00 53.44 53.89 3a2w n ALA 173 Cb 0.52 -2.35 -0.01 0.00 0.00 0.00 0.00 19.45 17.60 3a2w n ALA 173 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3a2w n ASP 174 N 1.65 -4.37 -4.67 0.00 8.00 -1.26 -4.22 116.55 111.68 3a2w n ASP 174 Ca 0.08 0.08 -0.40 0.00 0.71 0.00 0.00 54.79 55.26 3a2w n ASP 174 Cb 0.35 -2.14 0.02 0.00 -0.02 0.00 0.00 41.12 39.34 3a2w n ASP 174 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 3a2w n TRP 175 N -2.58 1.71 1.41 1.24 -0.00 -0.90 -0.57 117.44 117.75 3a2w n TRP 175 Ca -0.03 0.49 0.01 0.00 -0.00 0.00 0.00 57.50 57.97 3a2w n TRP 175 Cb 0.27 -2.30 0.05 0.00 -0.00 0.00 0.00 31.31 29.33 3a2w n TRP 175 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 3a2w n PRO 176 N -0.32 1.31 -2.70 5.87 -0.04 -1.26 -4.92 135.00 132.94 3a2w n PRO 176 Ca 0.09 -0.36 -0.28 0.00 -0.04 0.00 0.00 63.50 62.91 3a2w n PRO 176 Cb 0.42 -1.23 -0.02 0.00 -0.04 0.00 0.00 33.50 32.63 3a2w n PRO 176 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3a2w n ASN 177 N -0.13 4.71 -4.74 3.54 3.02 0.27 -3.35 115.26 118.58 3a2w n ASN 177 Ca 0.03 -3.71 -0.41 0.00 -0.03 0.00 0.00 54.58 50.47 3a2w n ASN 177 Cb 0.17 -0.53 -0.04 0.00 -0.61 0.00 0.00 39.78 38.77 3a2w n ASN 177 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3a2w s ASN 178 N -3.42 7.24 0.37 6.41 3.84 -0.12 -4.87 114.94 124.38 3a2w s ASN 178 Ca 0.48 2.15 0.27 0.00 0.21 0.00 0.00 52.86 55.98 3a2w s ASN 178 Cb 0.34 -2.61 1.17 0.00 -0.55 0.00 0.00 41.25 39.60 3a2w s ASN 178 CO -0.17 -0.23 1.81 1.05 -2.79 0.00 0.00 177.10 176.78 3a2w h GLU 179 N 4.86 0.00 0.00 0.43 4.11 -1.87 0.20 114.58 122.32 3a2w h GLU 179 Ca -0.45 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 58.88 3a2w h GLU 179 Cb 1.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 3a2w h GLU 179 CO 0.72 0.00 -0.96 -0.89 0.07 0.00 0.00 179.01 177.95 3a2w n ILE 180 N -2.52 1.47 -0.56 -1.06 2.08 -1.26 -4.69 119.36 112.81 3a2w n ILE 180 Ca 0.01 0.09 0.06 0.00 0.56 0.00 0.00 62.75 63.47 3a2w n ILE 180 Cb 0.23 -2.25 0.13 0.00 -0.75 0.00 0.00 39.64 37.00 3a2w n ILE 180 CO 0.00 0.00 0.00 2.30 0.56 0.00 0.00 176.55 179.41 3a2w n ILE 181 N -4.51 1.54 0.00 1.39 -5.35 -1.25 -5.07 119.36 106.10 3a2w n ILE 181 Ca -0.19 -1.56 0.00 0.00 -0.27 0.00 0.00 62.75 60.73 3a2w n ILE 181 Cb 0.47 0.12 0.00 0.00 -1.74 0.00 0.00 39.64 38.49 3a2w n ILE 181 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a2w n GLY 182 N -0.58 1.05 1.14 3.28 0.00 0.70 -1.00 105.19 109.79 3a2w n GLY 182 Ca 0.12 0.48 0.10 0.00 0.00 0.00 0.00 46.02 46.72 3a2w n GLY 182 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3a2w n GLU 183 N 0.00 2.63 -1.02 1.61 0.28 -1.21 -0.94 120.64 121.99 3a2w n GLU 183 Ca 0.00 -2.41 -0.32 0.00 -0.16 0.00 0.00 57.16 54.27 3a2w n GLU 183 Cb 0.00 -1.49 0.13 0.00 1.43 0.00 0.00 31.44 31.51 3a2w n GLU 183 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 3a2w s GLY 184 N -1.11 1.82 0.01 -1.84 0.00 -0.17 -4.84 107.32 101.19 3a2w s GLY 184 Ca 0.40 0.55 0.09 0.00 0.00 0.00 0.00 44.72 45.77 3a2w s GLY 184 CO 0.29 0.95 -0.26 1.08 0.00 0.00 0.00 173.10 175.16 3a2w s LEU 185 N -6.10 2.10 0.09 0.66 1.43 -0.16 -4.58 118.68 112.12 3a2w s LEU 185 Ca 0.67 -0.52 -0.24 0.00 -1.03 0.00 0.00 54.13 53.00 3a2w s LEU 185 Cb -0.22 -1.31 -0.07 0.00 0.03 0.00 0.00 46.19 44.63 3a2w s LEU 185 CO 0.55 0.29 0.74 -0.63 0.23 0.00 0.00 176.35 177.52 3a2w s ILE 186 N -0.70 4.60 -0.06 -0.59 1.01 0.40 -1.94 121.20 123.92 3a2w s ILE 186 Ca 0.11 1.59 -0.24 0.00 0.00 0.00 0.00 60.65 62.11 3a2w s ILE 186 Cb -0.10 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 3a2w s ILE 186 CO 0.00 0.45 0.71 -0.69 0.00 0.00 0.00 174.94 175.41 3a2w s VAL 187 N -0.60 5.03 0.03 2.92 1.01 -0.27 0.41 120.40 128.93 3a2w s VAL 187 Ca 0.36 1.46 -0.36 0.00 0.00 0.00 0.00 61.98 63.43 3a2w s VAL 187 Cb -0.21 -4.05 -0.16 0.00 0.00 0.00 0.00 36.38 31.97 3a2w s VAL 187 CO 0.23 0.26 1.50 -2.65 0.00 0.00 0.00 175.10 174.44 3a2w n PRO 188 N 3.73 1.45 -1.85 2.72 -0.02 -1.26 -4.60 135.00 135.16 3a2w n PRO 188 Ca -0.01 0.52 -0.41 0.00 -2.02 0.00 0.00 63.50 61.58 3a2w n PRO 188 Cb 0.51 -2.22 -0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3a2w n PRO 188 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3a2w s PRO 189 N 1.32 4.15 0.54 0.52 0.04 -1.26 -4.98 135.00 135.34 3a2w s PRO 189 Ca 0.86 2.52 -0.21 0.00 0.04 0.00 0.00 61.00 64.21 3a2w s PRO 189 Cb -0.89 -2.99 -0.06 0.00 0.04 0.00 0.00 34.50 30.60 3a2w s PRO 189 CO 0.48 -0.48 1.05 -2.30 0.04 0.00 0.00 177.00 175.79 3a2w n PRO 190 N 0.53 1.17 -0.01 0.56 -0.02 -1.26 -4.91 135.00 131.06 3a2w n PRO 190 Ca 0.01 0.44 0.02 0.00 -2.02 0.00 0.00 63.50 61.94 3a2w n PRO 190 Cb 0.40 -2.21 0.02 0.00 -0.02 0.00 0.00 33.50 31.68 3a2w n PRO 190 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3a2w n THR 191 N -1.27 0.20 -4.18 3.45 -2.24 -1.26 -4.90 114.28 104.07 3a2w n THR 191 Ca 0.12 -0.60 -0.11 0.00 -2.27 0.00 0.00 64.05 61.19 3a2w n THR 191 Cb 0.45 0.96 -0.10 0.00 -2.10 0.00 0.00 70.33 69.53 3a2w n THR 191 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3a2w s THR 192 N -0.41 0.51 0.20 4.28 -4.23 -1.26 -5.05 115.64 109.67 3a2w s THR 192 Ca 0.04 -1.93 -0.09 0.00 -1.18 0.00 0.00 61.69 58.53 3a2w s THR 192 Cb 0.03 -1.88 0.13 0.00 1.34 0.00 0.00 72.50 72.12 3a2w s THR 192 CO 0.04 -0.68 1.75 -0.33 -0.54 0.00 0.00 174.62 174.87 3a2w h GLU 193 N 2.88 1.10 -0.37 3.99 5.08 -2.00 -2.05 114.58 123.21 3a2w h GLU 193 Ca -0.36 -0.21 -0.10 0.00 -1.00 0.00 0.00 59.36 57.69 3a2w h GLU 193 Cb 1.18 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 3a2w h GLU 193 CO 0.63 0.92 -0.18 -0.44 -1.00 0.00 0.00 179.01 178.94 3a2w h ASP 194 N 1.05 0.69 -0.28 1.42 3.45 -1.99 -2.48 116.42 118.29 3a2w h ASP 194 Ca 0.24 -0.23 -0.04 0.00 0.43 0.00 0.00 57.03 57.44 3a2w h ASP 194 Cb 0.24 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.81 3a2w h ASP 194 CO -0.02 0.88 0.04 1.56 -1.57 0.00 0.00 179.24 180.13 3a2w h GLN 195 N 0.62 0.46 0.42 3.56 4.20 -1.92 -1.40 115.11 121.06 3a2w h GLN 195 Ca 0.10 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 3a2w h GLN 195 Cb 0.65 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.35 3a2w h GLN 195 CO 0.05 0.59 -0.48 0.00 -0.67 0.00 0.00 178.83 178.31 3a2w h ALA 196 N 0.86 -1.05 -0.61 3.87 0.00 -1.25 0.23 119.26 121.31 3a2w h ALA 196 Ca 0.08 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.94 3a2w h ALA 196 Cb 0.35 0.72 -0.08 0.00 0.00 0.00 0.00 17.79 18.78 3a2w h ALA 196 CO 0.01 -1.14 0.15 -0.09 0.00 0.00 0.00 179.25 178.18 3a2w h ARG 197 N -0.93 0.28 -0.34 0.00 2.43 -1.46 -1.16 114.38 113.20 3a2w h ARG 197 Ca -0.05 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3a2w h ARG 197 Cb 0.83 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.30 3a2w h ARG 197 CO -0.10 0.18 0.22 0.00 -1.51 0.00 0.00 179.97 178.77 3a2w h ALA 198 N 1.47 0.43 -0.98 2.80 0.00 -0.82 -0.39 119.26 121.77 3a2w h ALA 198 Ca 0.32 -0.03 0.17 0.00 0.00 0.00 0.00 54.91 55.37 3a2w h ALA 198 Cb 0.46 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.02 3a2w h ALA 198 CO -0.39 -0.10 0.61 -0.09 0.00 0.00 0.00 179.25 179.29 3a2w h ARG 199 N 0.46 0.75 0.00 0.00 9.65 0.61 0.37 114.38 126.22 3a2w h ARG 199 Ca 0.12 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.96 3a2w h ARG 199 Cb -0.05 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 28.37 3a2w h ARG 199 CO -0.03 0.50 0.00 0.52 2.80 0.00 0.00 179.97 183.76 3a2w h MET 200 N 0.77 0.00 0.01 0.20 2.86 -0.56 -3.22 114.93 114.98 3a2w h MET 200 Ca 0.53 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 58.17 3a2w h MET 200 Cb 0.81 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.48 3a2w h MET 200 CO -0.31 0.00 -0.01 0.93 1.06 0.00 0.00 176.91 178.59 3a2w h GLU 201 N 0.00 -0.01 -0.77 1.72 4.39 0.13 -3.29 114.58 116.74 3a2w h GLU 201 Ca 0.00 0.00 0.21 0.00 0.34 0.00 0.00 59.36 59.91 3a2w h GLU 201 Cb 0.96 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.57 3a2w h GLU 201 CO 0.00 0.80 0.54 0.66 -1.16 0.00 0.00 179.01 179.85 3a2w h SER 202 N -0.91 0.12 -5.72 1.42 4.64 -0.99 -3.45 113.55 108.66 3a2w h SER 202 Ca -0.00 0.01 -0.36 0.00 -0.47 0.00 0.00 61.79 60.97 3a2w h SER 202 Cb 0.82 -0.01 -0.13 0.00 -0.31 0.00 0.00 62.40 62.76 3a2w h SER 202 CO 0.00 0.05 -0.53 0.61 -0.87 0.00 0.00 176.83 176.09 3a2w n GLY 203 N -1.64 -0.47 0.19 -0.77 0.00 -1.22 -4.81 105.19 96.47 3a2w n GLY 203 Ca 0.16 0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.36 3a2w n GLY 203 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3a2w h GLN 204 N -0.77 0.00 -4.91 1.61 5.75 -1.87 -3.47 115.11 111.44 3a2w h GLN 204 Ca -0.39 0.00 -0.32 0.00 -0.15 0.00 0.00 58.65 57.79 3a2w h GLN 204 Cb 1.26 0.00 -0.15 0.00 1.07 0.00 0.00 27.48 29.66 3a2w h GLN 204 CO 0.51 0.00 -0.67 0.71 -2.65 0.00 0.00 178.83 176.73 3a2w s TYR 205 N -3.22 1.31 0.12 3.99 1.51 -1.26 -5.07 117.35 114.72 3a2w s TYR 205 Ca 0.06 -0.95 -0.31 0.00 -1.01 0.00 0.00 57.07 54.86 3a2w s TYR 205 Cb 0.07 -0.74 -0.07 0.00 -0.11 0.00 0.00 41.96 41.11 3a2w s TYR 205 CO 0.68 -0.12 1.29 1.03 -1.11 0.00 0.00 175.55 177.32 3a2w s ARG 206 N -3.87 4.39 -0.00 -0.62 0.52 -1.12 -4.88 118.95 113.37 3a2w s ARG 206 Ca 0.24 1.94 -0.01 0.00 -0.52 0.00 0.00 55.73 57.38 3a2w s ARG 206 Cb 0.05 -3.27 -0.00 0.00 0.52 0.00 0.00 34.95 32.25 3a2w s ARG 206 CO 0.05 -0.30 0.02 0.00 0.02 0.00 0.00 175.30 175.08 3a2w n LEU 208 N 2.74 0.27 -3.62 0.00 4.32 0.51 -5.00 117.00 116.22 3a2w n LEU 208 Ca -0.15 0.10 -0.02 0.00 -0.02 0.00 0.00 56.01 55.93 3a2w n LEU 208 Cb 0.59 -0.01 -0.02 0.00 -1.62 0.00 0.00 43.42 42.36 3a2w n LEU 208 CO 0.24 -0.05 1.14 -0.62 -1.22 0.00 0.00 177.39 176.88 3a2w s ASP 209 N -4.80 -0.04 0.50 -1.43 -1.08 -1.22 -4.95 116.67 103.64 3a2w s ASP 209 Ca -0.06 -0.01 0.33 0.00 -0.52 0.00 0.00 52.55 52.29 3a2w s ASP 209 Cb 0.12 0.05 1.44 0.00 -1.46 0.00 0.00 42.92 43.08 3a2w s ASP 209 CO 0.87 -0.09 1.76 4.11 0.52 0.00 0.00 175.17 182.34 3a2w h TRP 210 N 2.00 0.23 -0.01 -5.34 5.08 -1.95 0.26 115.95 116.22 3a2w h TRP 210 Ca -0.10 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.88 3a2w h TRP 210 Cb 1.15 -0.06 0.00 0.00 -3.00 0.00 0.00 29.16 27.24 3a2w h TRP 210 CO 0.30 -0.01 -0.31 -2.67 -1.28 0.00 0.00 178.44 174.47 3a2w n TRP 211 N -4.33 0.00 -3.69 0.12 4.27 -1.26 -4.47 117.44 108.09 3a2w n TRP 211 Ca 0.28 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.61 3a2w n TRP 211 Cb 1.24 -0.14 -0.12 0.00 -1.36 0.00 0.00 31.31 30.93 3a2w n TRP 211 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 3a2w s PHE 212 N -2.59 2.14 0.12 -2.67 5.99 0.90 -4.59 117.98 117.30 3a2w s PHE 212 Ca 0.22 -2.60 0.08 0.00 0.00 0.00 0.00 56.93 54.63 3a2w s PHE 212 Cb 0.19 -1.87 -0.04 0.00 0.00 0.00 0.00 43.02 41.30 3a2w s PHE 212 CO 0.55 -0.74 -0.19 0.00 -0.00 0.00 0.00 175.22 174.84 3a2w s TRP 214 N -1.52 0.20 0.11 0.00 -2.14 -0.45 -1.11 118.94 114.03 3a2w s TRP 214 Ca 0.09 -0.59 -0.00 0.00 2.66 0.00 0.00 56.10 58.26 3a2w s TRP 214 Cb -0.08 0.35 0.00 0.00 -3.10 0.00 0.00 33.47 30.63 3a2w s TRP 214 CO 0.05 -1.07 0.14 -0.40 -2.66 0.00 0.00 176.95 173.01 3a2w n ASP 215 N -0.41 -0.39 -3.31 -2.66 3.85 -0.82 -2.78 116.55 110.03 3a2w n ASP 215 Ca -0.02 -1.59 -0.26 0.00 -0.71 0.00 0.00 54.79 52.21 3a2w n ASP 215 Cb 0.61 0.74 -0.07 0.00 -1.35 0.00 0.00 41.12 41.05 3a2w n ASP 215 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 3a2w n THR 216 N -0.18 1.49 0.44 2.12 -2.24 -1.26 -0.99 114.28 113.67 3a2w n THR 216 Ca 0.00 -4.90 0.13 0.00 -2.27 0.00 0.00 64.05 57.01 3a2w n THR 216 Cb 0.18 -1.94 0.35 0.00 -2.10 0.00 0.00 70.33 66.81 3a2w n THR 216 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3a2w h PRO 217 N 3.99 0.00 -6.89 -0.78 0.13 -1.92 -3.46 132.00 123.06 3a2w h PRO 217 Ca 0.15 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.79 3a2w h PRO 217 Cb 0.72 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.87 3a2w h PRO 217 CO 0.72 0.00 0.45 0.00 -0.23 0.00 0.00 178.00 178.94 3a2w s ALA 218 N -3.19 3.24 0.69 -0.56 0.00 -1.26 -5.02 121.76 115.66 3a2w s ALA 218 Ca 0.08 0.83 -0.12 0.00 0.00 0.00 0.00 51.96 52.75 3a2w s ALA 218 Cb 0.09 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.91 3a2w s ALA 218 CO 0.60 -0.24 1.08 -1.54 0.00 0.00 0.00 175.76 175.66 3a2w s SER 219 N -1.20 5.17 0.44 0.00 1.04 -1.26 -4.84 113.70 113.04 3a2w s SER 219 Ca 0.52 1.77 0.09 0.00 0.48 0.00 0.00 55.95 58.82 3a2w s SER 219 Cb -0.28 -2.52 0.96 0.00 0.10 0.00 0.00 66.02 64.28 3a2w s SER 219 CO 0.35 -1.59 2.07 0.03 0.98 0.00 0.00 173.24 175.09 3a2w h ARG 220 N -0.49 0.38 -0.31 4.02 3.08 -1.98 -0.93 114.38 118.15 3a2w h ARG 220 Ca -0.45 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 59.46 3a2w h ARG 220 Cb 1.22 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.18 3a2w h ARG 220 CO 0.55 0.27 -0.29 -0.44 -1.07 0.00 0.00 179.97 178.99 3a2w h ASP 221 N 0.39 0.65 0.42 7.04 5.19 -1.98 0.22 116.42 128.36 3a2w h ASP 221 Ca 0.11 -0.25 -0.02 0.00 -0.62 0.00 0.00 57.03 56.25 3a2w h ASP 221 Cb -0.02 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.32 3a2w h ASP 221 CO -0.02 0.90 -0.20 0.44 -3.12 0.00 0.00 179.24 177.24 3a2w h ASP 222 N 0.54 -0.48 -0.29 6.45 3.32 -1.56 -1.28 116.42 123.11 3a2w h ASP 222 Ca 0.07 -0.09 0.05 0.00 0.02 0.00 0.00 57.03 57.08 3a2w h ASP 222 Cb 0.77 0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.40 3a2w h ASP 222 CO 0.06 -0.18 0.02 0.58 -1.72 0.00 0.00 179.24 178.00 3a2w h VAL 223 N -0.79 0.81 0.00 -1.35 2.07 -1.24 -1.73 116.25 114.01 3a2w h VAL 223 Ca -0.06 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 3a2w h VAL 223 Cb 0.54 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3a2w h VAL 223 CO 0.09 0.02 -0.19 -0.33 0.02 0.00 0.00 177.57 177.19 3a2w h GLU 224 N 0.11 0.00 -0.28 1.57 5.08 -0.98 -0.55 114.58 119.54 3a2w h GLU 224 Ca 0.14 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.35 3a2w h GLU 224 Cb 0.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 3a2w h GLU 224 CO -0.22 0.19 -0.43 1.49 -1.00 0.00 0.00 179.01 179.03 3a2w h GLU 225 N 0.00 0.78 -0.53 2.33 4.81 -0.38 -0.44 114.58 121.14 3a2w h GLU 225 Ca -0.00 -0.47 -0.10 0.00 -0.13 0.00 0.00 59.36 58.65 3a2w h GLU 225 Cb 0.56 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 3a2w h GLU 225 CO 0.02 1.10 -0.08 0.00 -0.73 0.00 0.00 179.01 179.32 3a2w h ALA 226 N 0.67 0.85 -0.65 2.92 0.00 -0.80 -2.63 119.26 119.62 3a2w h ALA 226 Ca 0.02 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 3a2w h ALA 226 Cb 1.03 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 3a2w h ALA 226 CO 0.10 0.65 0.31 0.00 0.00 0.00 0.00 179.25 180.31 3a2w h ARG 227 N 0.87 0.94 -0.81 0.00 2.47 -1.00 -2.10 114.38 114.76 3a2w h ARG 227 Ca 0.14 -0.14 0.07 0.00 -1.26 0.00 0.00 59.98 58.79 3a2w h ARG 227 Cb 0.62 -0.17 -0.05 0.00 -1.65 0.00 0.00 29.97 28.72 3a2w h ARG 227 CO 0.04 0.75 0.53 -0.09 0.56 0.00 0.00 179.97 181.76 3a2w h ARG 228 N 0.90 0.83 0.21 0.04 2.43 -0.76 0.18 114.38 118.22 3a2w h ARG 228 Ca 0.22 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 3a2w h ARG 228 Cb 0.12 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3a2w h ARG 228 CO -0.03 0.55 -0.11 1.88 -1.51 0.00 0.00 179.97 180.75 3a2w h TYR 229 N 0.86 -0.29 -0.40 2.20 0.99 -1.04 -1.79 116.97 117.50 3a2w h TYR 229 Ca 0.35 -0.01 -0.10 0.00 2.00 0.00 0.00 58.73 60.98 3a2w h TYR 229 Cb 0.27 0.10 -0.02 0.00 1.00 0.00 0.00 36.73 38.08 3a2w h TYR 229 CO -0.00 -0.18 -0.14 -0.07 -0.00 0.00 0.00 178.16 177.77 3a2w h LEU 230 N -0.30 0.72 -1.14 3.88 3.38 -1.13 -2.53 115.31 118.19 3a2w h LEU 230 Ca -0.03 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 3a2w h LEU 230 Cb 0.24 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3a2w h LEU 230 CO 0.04 0.88 0.10 0.03 0.09 0.00 0.00 178.44 179.58 3a2w h ARG 231 N 0.66 0.70 -0.48 1.13 3.08 -0.52 -2.25 114.38 116.70 3a2w h ARG 231 Ca 0.11 -0.14 -0.11 0.00 0.07 0.00 0.00 59.98 59.91 3a2w h ARG 231 Cb 0.61 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 3a2w h ARG 231 CO 0.04 0.65 -0.15 -0.09 -1.07 0.00 0.00 179.97 179.36 3a2w h ARG 232 N 0.68 0.94 -0.76 0.04 2.43 -1.05 -2.43 114.38 114.23 3a2w h ARG 232 Ca 0.15 -0.38 0.04 0.00 -0.81 0.00 0.00 59.98 58.99 3a2w h ARG 232 Cb 0.27 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.73 3a2w h ARG 232 CO -0.00 1.04 0.47 0.00 -1.51 0.00 0.00 179.97 179.97 3a2w h ALA 233 N 0.88 1.01 0.00 2.80 0.00 -1.00 -2.50 119.26 120.44 3a2w h ALA 233 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3a2w h ALA 233 Cb 0.71 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3a2w h ALA 233 CO 0.05 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.53 3a2w n ALA 234 N -2.33 2.26 -2.56 0.00 0.00 -0.90 -4.83 120.51 112.14 3a2w n ALA 234 Ca 0.09 -0.03 -0.39 0.00 0.00 0.00 0.00 53.44 53.12 3a2w n ALA 234 Cb 0.12 -1.46 -0.06 0.00 0.00 0.00 0.00 19.45 18.05 3a2w n ALA 234 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3a2w s GLU 235 N -3.09 4.32 -0.17 0.00 2.12 -0.92 -5.05 118.70 115.91 3a2w s GLU 235 Ca 0.11 0.68 -0.24 0.00 0.36 0.00 0.00 54.97 55.88 3a2w s GLU 235 Cb 0.13 -3.37 -0.02 0.00 0.26 0.00 0.00 34.13 31.13 3a2w s GLU 235 CO 0.58 0.30 0.78 0.21 -0.54 0.00 0.00 175.26 176.59 3a2w s LYS 236 N 0.06 4.29 0.22 4.30 2.20 -1.26 -4.96 119.74 124.58 3a2w s LYS 236 Ca 0.31 0.92 -0.32 0.00 -0.36 0.00 0.00 55.97 56.52 3a2w s LYS 236 Cb -0.17 -3.57 -0.14 0.00 -1.51 0.00 0.00 37.83 32.44 3a2w s LYS 236 CO 0.16 -0.29 1.38 -0.35 -0.36 0.00 0.00 175.35 175.89 3a2w n PRO 237 N 5.11 1.90 0.13 4.03 -0.04 -1.26 -4.88 135.00 140.00 3a2w n PRO 237 Ca 0.03 0.68 0.05 0.00 -0.04 0.00 0.00 63.50 64.22 3a2w n PRO 237 Cb 0.49 -2.32 0.51 0.00 -0.04 0.00 0.00 33.50 32.15 3a2w n PRO 237 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3a2w h ALA 238 N 4.18 1.80 -3.41 0.55 0.00 -2.04 -3.41 119.26 116.93 3a2w h ALA 238 Ca -0.45 -0.05 -0.49 0.00 0.00 0.00 0.00 54.91 53.92 3a2w h ALA 238 Cb 1.29 -0.08 -0.34 0.00 0.00 0.00 0.00 17.79 18.66 3a2w h ALA 238 CO 0.76 0.17 -0.80 0.21 0.00 0.00 0.00 179.25 179.58 3a2w s LYS 239 N -5.17 1.50 -0.06 0.00 2.36 -1.26 -5.13 119.74 111.98 3a2w s LYS 239 Ca -0.06 -0.34 -0.19 0.00 -2.55 0.00 0.00 55.97 52.83 3a2w s LYS 239 Cb 0.17 -1.30 -0.05 0.00 -1.05 0.00 0.00 37.83 35.60 3a2w s LYS 239 CO 0.71 -0.02 0.54 -0.51 1.55 0.00 0.00 175.35 177.62 3a2w s LEU 240 N 0.80 4.35 0.58 5.43 1.43 -1.26 -4.97 118.68 125.04 3a2w s LEU 240 Ca -0.12 1.00 0.27 0.00 -1.03 0.00 0.00 54.13 54.25 3a2w s LEU 240 Cb -0.15 -2.81 1.57 0.00 0.03 0.00 0.00 46.19 44.82 3a2w s LEU 240 CO 0.02 0.06 2.06 -0.07 0.23 0.00 0.00 176.35 178.64 3a2w h LEU 241 N 6.13 0.00 -1.55 1.79 3.38 -1.98 -0.38 115.31 122.70 3a2w h LEU 241 Ca -0.44 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.49 3a2w h LEU 241 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 3a2w h LEU 241 CO 0.72 0.00 -0.22 0.10 0.09 0.00 0.00 178.44 179.13 3a2w h TYR 242 N 0.00 0.00 -0.61 1.13 -0.00 -1.94 -2.76 116.97 112.79 3a2w h TYR 242 Ca 0.12 0.00 0.07 0.00 0.00 0.00 0.00 58.73 58.92 3a2w h TYR 242 Cb 0.64 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 37.33 3a2w h TYR 242 CO 0.00 0.22 0.40 0.93 -0.00 0.00 0.00 178.16 179.71 3a2w h GLU 243 N 0.00 0.54 -0.51 0.10 3.07 -1.47 -1.10 114.58 115.21 3a2w h GLU 243 Ca -0.00 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 58.77 3a2w h GLU 243 Cb 0.51 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.27 3a2w h GLU 243 CO 0.03 0.36 0.06 0.39 -1.40 0.00 0.00 179.01 178.44 3a2w n GLU 244 N -4.48 3.94 0.00 2.33 -0.58 -1.05 -5.12 120.64 115.69 3a2w n GLU 244 Ca 0.09 -3.06 0.09 0.00 -0.42 0.00 0.00 57.16 53.86 3a2w n GLU 244 Cb 0.27 -2.12 0.56 0.00 -0.57 0.00 0.00 31.44 29.58 3a2w n GLU 244 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65