#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 -0.44 -0.13 0.55 0.00 -1.26 -5.06 107.32 100.97 3a2w s GLY 3 Ca 0.00 1.28 -0.01 0.00 0.00 0.00 0.00 44.72 45.98 3a2w s GLY 3 CO 0.00 1.00 -0.09 -1.35 0.00 0.00 0.00 173.10 172.66 3a2w s SER 4 N -0.58 4.32 0.20 1.64 1.04 -1.26 -5.11 113.70 113.95 3a2w s SER 4 Ca -0.07 -0.24 0.10 0.00 0.48 0.00 0.00 55.95 56.22 3a2w s SER 4 Cb -0.03 -1.64 -0.04 0.00 0.10 0.00 0.00 66.02 64.41 3a2w s SER 4 CO 0.05 0.18 -0.20 0.27 0.98 0.00 0.00 173.24 174.52 3a2w s ILE 5 N 0.28 2.06 1.18 -1.02 -4.36 -1.26 -3.75 121.20 114.34 3a2w s ILE 5 Ca -0.07 -2.06 -0.18 0.00 -0.26 0.00 0.00 60.65 58.08 3a2w s ILE 5 Cb -0.15 -2.02 0.27 0.00 1.25 0.00 0.00 42.46 41.82 3a2w s ILE 5 CO 0.04 -0.31 1.08 -2.16 0.24 0.00 0.00 174.94 173.84 3a2w s PRO 6 N -2.97 -1.05 0.14 0.37 0.04 -1.26 -5.02 135.00 125.25 3a2w s PRO 6 Ca 0.20 0.12 0.07 0.00 0.04 0.00 0.00 61.00 61.43 3a2w s PRO 6 Cb -0.06 -1.60 -0.04 0.00 0.04 0.00 0.00 34.50 32.84 3a2w s PRO 6 CO 0.09 -3.63 -0.16 -0.51 0.04 0.00 0.00 177.00 172.83 3a2w s LEU 7 N -6.95 2.42 0.29 -3.56 1.43 -1.26 -5.08 118.68 105.97 3a2w s LEU 7 Ca 0.69 -0.83 -0.30 0.00 -1.03 0.00 0.00 54.13 52.66 3a2w s LEU 7 Cb -0.13 -0.67 -0.12 0.00 0.03 0.00 0.00 46.19 45.30 3a2w s LEU 7 CO 0.57 -0.09 1.54 -0.38 0.23 0.00 0.00 176.35 178.22 3a2w n ILE 8 N 0.44 1.07 0.00 -0.59 5.41 -1.26 -1.23 119.36 123.19 3a2w n ILE 8 Ca -0.14 -0.27 0.00 0.00 1.00 0.00 0.00 62.75 63.34 3a2w n ILE 8 Cb 0.57 -1.85 0.00 0.00 -0.71 0.00 0.00 39.64 37.65 3a2w n ILE 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3a2w n GLY 9 N 2.06 3.24 3.90 7.39 0.00 -0.05 -5.00 105.19 116.73 3a2w n GLY 9 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.53 2.91 0.13 1.61 2.02 -0.37 -4.79 118.70 119.69 3a2w s GLU 10 Ca 0.00 0.28 -0.25 0.00 0.02 0.00 0.00 54.97 55.02 3a2w s GLU 10 Cb 0.00 -2.13 -0.07 0.00 0.10 0.00 0.00 34.13 32.03 3a2w s GLU 10 CO 0.00 -0.88 0.76 0.50 0.02 0.00 0.00 175.26 175.67 3a2w s ARG 11 N -5.20 4.53 0.18 1.61 3.52 -1.26 -1.01 118.95 121.33 3a2w s ARG 11 Ca 0.56 1.12 -0.33 0.00 -0.13 0.00 0.00 55.73 56.95 3a2w s ARG 11 Cb -0.11 -3.28 -0.14 0.00 -1.56 0.00 0.00 34.95 29.86 3a2w s ARG 11 CO 0.49 0.51 1.42 0.34 -0.81 0.00 0.00 175.30 177.25 3a2w n PHE 12 N 1.88 2.00 -1.69 5.12 7.35 0.11 -4.78 117.46 127.45 3a2w n PHE 12 Ca -0.05 0.44 -0.51 0.00 -0.76 0.00 0.00 57.45 56.56 3a2w n PHE 12 Cb 0.49 -2.45 -0.06 0.00 0.35 0.00 0.00 39.48 37.82 3a2w n PHE 12 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3a2w n PRO 13 N 2.52 1.82 -1.82 -7.13 -0.04 -1.26 -4.58 135.00 124.52 3a2w n PRO 13 Ca 0.15 0.67 -0.42 0.00 -0.04 0.00 0.00 63.50 63.85 3a2w n PRO 13 Cb 0.28 -2.45 -0.03 0.00 -0.04 0.00 0.00 33.50 31.26 3a2w n PRO 13 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3a2w s GLU 14 N 3.81 4.17 -0.07 0.54 2.12 -1.26 -4.61 118.70 123.40 3a2w s GLU 14 Ca 0.94 2.48 -0.30 0.00 0.36 0.00 0.00 54.97 58.46 3a2w s GLU 14 Cb -0.82 -3.32 0.10 0.00 0.26 0.00 0.00 34.13 30.35 3a2w s GLU 14 CO 0.56 -0.73 0.83 0.00 -0.54 0.00 0.00 175.26 175.39 3a2w s MET 15 N 1.80 0.85 -0.19 4.30 0.23 -0.43 -5.01 119.30 120.86 3a2w s MET 15 Ca 0.75 0.08 -0.08 0.00 -1.03 0.00 0.00 55.69 55.41 3a2w s MET 15 Cb -0.45 0.40 -0.04 0.00 -1.53 0.00 0.00 34.83 33.20 3a2w s MET 15 CO 0.33 -0.29 0.08 -2.00 -2.03 0.00 0.00 175.02 171.11 3a2w s GLU 16 N -1.60 4.03 0.12 3.16 2.12 -1.26 -0.20 118.70 125.07 3a2w s GLU 16 Ca -0.04 -0.31 0.05 0.00 0.36 0.00 0.00 54.97 55.03 3a2w s GLU 16 Cb -0.00 -3.28 -0.04 0.00 0.26 0.00 0.00 34.13 31.07 3a2w s GLU 16 CO 0.02 0.27 -0.13 0.14 -0.54 0.00 0.00 175.26 175.02 3a2w s VAL 17 N 0.40 1.24 -0.22 3.70 -7.23 -0.53 -5.00 120.40 112.76 3a2w s VAL 17 Ca 0.04 -1.69 -0.10 0.00 -1.81 0.00 0.00 61.98 58.42 3a2w s VAL 17 Cb -0.12 -1.48 -0.05 0.00 0.56 0.00 0.00 36.38 35.29 3a2w s VAL 17 CO -0.00 -0.44 0.14 -0.89 -0.31 0.00 0.00 175.10 173.59 3a2w s THR 18 N -2.18 5.33 0.37 5.32 2.01 -1.26 -1.71 115.64 123.52 3a2w s THR 18 Ca 0.08 0.17 0.05 0.00 0.31 0.00 0.00 61.69 62.29 3a2w s THR 18 Cb -0.05 -3.46 -0.06 0.00 0.01 0.00 0.00 72.50 68.94 3a2w s THR 18 CO 0.02 0.39 0.05 0.42 -0.69 0.00 0.00 174.62 174.81 3a2w s THR 19 N 0.72 1.39 -2.00 -0.82 -4.23 0.89 -0.43 115.64 111.16 3a2w s THR 19 Ca 0.07 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.74 3a2w s THR 19 Cb -0.12 -2.79 0.44 0.00 1.34 0.00 0.00 72.50 71.36 3a2w s THR 19 CO 0.01 0.00 1.43 -0.90 -0.54 0.00 0.00 174.62 174.63 3a2w n ASP 20 N -0.84 0.00 -0.13 3.99 5.68 -0.92 -1.21 116.55 123.12 3a2w n ASP 20 Ca -0.04 -1.08 0.06 0.00 -0.50 0.00 0.00 54.79 53.23 3a2w n ASP 20 Cb 0.67 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.61 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 -0.81 0.00 0.00 2.11 8.25 -1.26 -4.99 115.22 118.53 3a2w n HIS 21 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 3a2w n HIS 21 Cb 0.05 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.16 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 1.14 0.58 3.73 -1.41 0.00 -0.35 -5.05 105.19 103.83 3a2w n GLY 22 Ca 0.03 -2.15 -0.38 0.00 0.00 0.00 0.00 46.02 43.52 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 -0.87 5.18 0.03 1.61 1.01 -1.26 -0.08 120.40 126.02 3a2w s VAL 23 Ca 0.00 0.90 0.00 0.00 0.00 0.00 0.00 61.98 62.88 3a2w s VAL 23 Cb 0.00 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 3a2w s VAL 23 CO 0.00 0.36 -0.04 0.27 0.00 0.00 0.00 175.10 175.69 3a2w s ILE 24 N 0.41 0.22 -0.15 2.22 -4.36 -0.69 -4.99 121.20 113.85 3a2w s ILE 24 Ca 0.25 -1.09 -0.12 0.00 -0.26 0.00 0.00 60.65 59.42 3a2w s ILE 24 Cb -0.15 -0.53 -0.05 0.00 1.25 0.00 0.00 42.46 42.99 3a2w s ILE 24 CO 0.10 -0.56 0.25 -0.75 0.24 0.00 0.00 174.94 174.23 3a2w s LYS 25 N -1.87 4.15 -0.04 0.37 2.20 -1.26 -1.45 119.74 121.83 3a2w s LYS 25 Ca -0.11 0.03 0.03 0.00 -0.36 0.00 0.00 55.97 55.56 3a2w s LYS 25 Cb -0.07 -3.39 -0.03 0.00 -1.51 0.00 0.00 37.83 32.83 3a2w s LYS 25 CO -0.02 0.33 -0.11 -0.51 -0.36 0.00 0.00 175.35 174.68 3a2w s LEU 26 N 0.21 2.95 0.00 5.43 1.43 0.72 -0.56 118.68 128.86 3a2w s LEU 26 Ca 0.15 -0.15 0.23 0.00 -1.03 0.00 0.00 54.13 53.34 3a2w s LEU 26 Cb -0.13 -1.65 0.68 0.00 0.03 0.00 0.00 46.19 45.12 3a2w s LEU 26 CO 0.03 0.33 1.52 -0.81 0.23 0.00 0.00 176.35 177.66 3a2w n PRO 27 N 2.08 1.95 -0.29 1.29 -0.04 -1.26 -1.31 135.00 137.41 3a2w n PRO 27 Ca -0.17 -1.41 0.10 0.00 -0.04 0.00 0.00 63.50 61.98 3a2w n PRO 27 Cb 0.52 -1.45 0.26 0.00 -0.04 0.00 0.00 33.50 32.80 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 3.02 0.16 -0.73 3.54 5.19 -1.94 -0.33 116.42 125.32 3a2w h ASP 28 Ca 0.00 0.16 0.13 0.00 -0.62 0.00 0.00 57.03 56.70 3a2w h ASP 28 Cb 0.65 0.18 -0.05 0.00 0.18 0.00 0.00 39.33 40.30 3a2w h ASP 28 CO 0.00 -0.04 0.49 -0.74 -3.12 0.00 0.00 179.24 175.83 3a2w h HIS 29 N 0.32 0.52 0.06 4.55 2.76 -1.18 0.01 115.15 122.19 3a2w h HIS 29 Ca 0.51 0.01 -0.36 0.00 -2.20 0.00 0.00 60.37 58.33 3a2w h HIS 29 Cb 0.94 -0.16 -0.04 0.00 1.55 0.00 0.00 27.41 29.70 3a2w h HIS 29 CO -0.20 0.21 -2.11 0.66 -1.30 0.00 0.00 177.93 175.18 3a2w n TYR 30 N -4.48 0.77 -0.06 5.26 4.02 -0.58 -4.18 117.16 117.91 3a2w n TYR 30 Ca 0.13 0.19 -0.08 0.00 -0.01 0.00 0.00 57.90 58.14 3a2w n TYR 30 Cb 0.47 -1.11 -0.01 0.00 -0.02 0.00 0.00 39.34 38.67 3a2w n TYR 30 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3a2w h VAL 31 N 0.04 0.85 0.00 -0.72 2.07 -0.79 -0.78 116.25 116.92 3a2w h VAL 31 Ca -0.45 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3a2w h VAL 31 Cb 2.02 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.51 3a2w h VAL 31 CO 0.04 0.02 0.11 0.77 0.02 0.00 0.00 177.57 178.52 3a2w h SER 32 N 0.12 0.00 -0.02 0.57 4.64 -1.19 0.36 113.55 118.03 3a2w h SER 32 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3a2w h SER 32 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3a2w h SER 32 CO -0.18 0.00 -0.18 0.00 -0.87 0.00 0.00 176.83 175.61 3a2w n GLN 33 N -2.81 1.85 -1.64 4.77 6.02 -0.39 -4.94 117.38 120.24 3a2w n GLN 33 Ca -0.02 -1.50 -0.09 0.00 -0.01 0.00 0.00 57.00 55.37 3a2w n GLN 33 Cb 0.16 -1.47 -0.02 0.00 1.02 0.00 0.00 30.24 29.93 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 1.37 0.63 3.80 1.08 0.00 0.13 -5.01 105.19 107.18 3a2w n GLY 34 Ca 0.13 -0.58 -0.26 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.47 2.92 0.25 1.61 1.02 -0.66 -4.83 119.74 116.58 3a2w s LYS 35 Ca 0.00 -0.89 -0.02 0.00 0.02 0.00 0.00 55.97 55.08 3a2w s LYS 35 Cb 0.00 -2.64 -0.04 0.00 -0.52 0.00 0.00 37.83 34.62 3a2w s LYS 35 CO 0.00 0.48 0.47 -1.58 -0.92 0.00 0.00 175.35 173.79 3a2w s TRP 36 N -1.80 3.48 0.01 3.18 0.52 -0.52 -3.81 118.94 120.01 3a2w s TRP 36 Ca 0.31 0.44 -0.05 0.00 0.02 0.00 0.00 56.10 56.82 3a2w s TRP 36 Cb -0.10 -1.94 -0.00 0.00 -1.15 0.00 0.00 33.47 30.27 3a2w s TRP 36 CO 0.24 0.28 0.09 -0.59 0.02 0.00 0.00 176.95 176.99 3a2w s PHE 37 N -2.00 0.11 -0.24 -1.98 -0.12 -0.47 -0.67 117.98 112.61 3a2w s PHE 37 Ca 0.40 -0.26 -0.01 0.00 -0.05 0.00 0.00 56.93 57.01 3a2w s PHE 37 Cb -0.11 -0.09 0.02 0.00 -0.63 0.00 0.00 43.02 42.22 3a2w s PHE 37 CO 0.30 -0.27 -0.08 0.08 -0.05 0.00 0.00 175.22 175.20 3a2w s VAL 38 N -1.52 2.79 -0.23 -2.49 1.01 -0.01 -1.50 120.40 118.45 3a2w s VAL 38 Ca -0.14 -1.01 -0.13 0.00 0.00 0.00 0.00 61.98 60.70 3a2w s VAL 38 Cb -0.08 -2.39 -0.05 0.00 0.00 0.00 0.00 36.38 33.87 3a2w s VAL 38 CO 0.00 0.24 0.26 -0.22 0.00 0.00 0.00 175.10 175.38 3a2w s LEU 39 N 1.32 4.13 0.03 3.92 1.98 -0.22 -2.09 118.68 127.74 3a2w s LEU 39 Ca 0.01 0.27 0.01 0.00 -2.89 0.00 0.00 54.13 51.53 3a2w s LEU 39 Cb -0.16 -2.27 -0.02 0.00 0.66 0.00 0.00 46.19 44.40 3a2w s LEU 39 CO -0.05 0.00 -0.06 0.72 -1.89 0.00 0.00 176.35 175.07 3a2w s PHE 40 N 1.20 0.54 0.35 5.38 -0.12 -0.87 0.15 117.98 124.61 3a2w s PHE 40 Ca 0.12 -0.51 0.08 0.00 -0.05 0.00 0.00 56.93 56.57 3a2w s PHE 40 Cb -0.14 -0.33 -0.07 0.00 -0.63 0.00 0.00 43.02 41.85 3a2w s PHE 40 CO 0.06 -0.12 -0.05 -1.54 -0.05 0.00 0.00 175.22 173.52 3a2w s SER 41 N -1.54 3.51 -0.00 1.98 1.04 -0.49 -1.57 113.70 116.62 3a2w s SER 41 Ca -0.12 -1.26 -0.12 0.00 0.48 0.00 0.00 55.95 54.93 3a2w s SER 41 Cb -0.10 -0.31 0.01 0.00 0.10 0.00 0.00 66.02 65.72 3a2w s SER 41 CO -0.00 -0.33 0.25 -1.38 0.98 0.00 0.00 173.24 172.76 3a2w s HIS 42 N -2.76 -0.09 0.14 5.02 -3.43 -0.27 -3.94 115.29 109.97 3a2w s HIS 42 Ca 0.33 0.09 -0.26 0.00 -0.80 0.00 0.00 55.06 54.42 3a2w s HIS 42 Cb 0.05 0.04 -0.00 0.00 -1.43 0.00 0.00 32.58 31.24 3a2w s HIS 42 CO 0.16 -0.36 1.60 -1.00 -2.00 0.00 0.00 174.74 173.13 3a2w h PRO 43 N 3.94 -0.36 -2.68 -0.38 0.13 -1.72 -3.39 132.00 127.55 3a2w h PRO 43 Ca -0.30 0.02 0.04 0.00 -0.87 0.00 0.00 66.00 64.89 3a2w h PRO 43 Cb 1.18 0.08 -0.13 0.00 0.13 0.00 0.00 31.00 32.26 3a2w h PRO 43 CO 0.41 -0.24 0.34 0.00 -0.23 0.00 0.00 178.00 178.28 3a2w s ALA 44 N -5.96 -1.70 0.72 -0.56 0.00 -1.26 -4.27 121.76 108.73 3a2w s ALA 44 Ca -0.15 0.72 -0.12 0.00 0.00 0.00 0.00 51.96 52.41 3a2w s ALA 44 Cb 0.11 0.68 0.03 0.00 0.00 0.00 0.00 23.12 23.94 3a2w s ALA 44 CO 0.66 -0.73 1.08 -0.51 0.00 0.00 0.00 175.76 176.26 3a2w s ASP 45 N -2.63 4.94 -1.30 0.00 1.01 -1.26 -3.80 116.67 113.63 3a2w s ASP 45 Ca 0.03 1.79 -0.04 0.00 0.71 0.00 0.00 52.55 55.04 3a2w s ASP 45 Cb -0.01 -2.52 0.01 0.00 1.01 0.00 0.00 42.92 41.41 3a2w s ASP 45 CO -0.11 -1.74 1.04 0.49 0.21 0.00 0.00 175.17 175.05 3a2w n PHE 46 N -3.13 -2.44 -4.67 4.23 3.01 -1.26 -5.01 117.46 108.19 3a2w n PHE 46 Ca 0.09 0.96 -0.23 0.00 1.01 0.00 0.00 57.45 59.28 3a2w n PHE 46 Cb 0.53 -4.92 -0.15 0.00 -0.01 0.00 0.00 39.48 34.93 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 -3.37 1.16 0.10 4.37 -4.23 -1.25 -5.10 115.64 107.31 3a2w s THR 47 Ca 0.27 -0.61 -0.32 0.00 -1.18 0.00 0.00 61.69 59.85 3a2w s THR 47 Cb -0.12 -0.98 -0.14 0.00 1.34 0.00 0.00 72.50 72.60 3a2w s THR 47 CO 0.75 0.33 1.60 1.55 -0.54 0.00 0.00 174.62 178.30 3a2w h PRO 48 N 5.93 -0.77 -0.74 3.99 0.13 -1.95 -2.37 132.00 136.23 3a2w h PRO 48 Ca -0.34 0.05 0.01 0.00 -0.87 0.00 0.00 66.00 64.85 3a2w h PRO 48 Cb 1.16 0.18 -0.04 0.00 0.13 0.00 0.00 31.00 32.43 3a2w h PRO 48 CO 0.49 -0.51 0.48 0.28 -0.23 0.00 0.00 178.00 178.51 3a2w h VAL 49 N -0.80 1.17 -0.77 1.56 2.07 -1.99 -1.46 116.25 116.04 3a2w h VAL 49 Ca -0.03 -0.34 0.08 0.00 0.82 0.00 0.00 66.70 67.23 3a2w h VAL 49 Cb 0.73 0.11 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 3a2w h VAL 49 CO -0.09 0.18 0.50 0.28 0.02 0.00 0.00 177.57 178.47 3a2w h SER 50 N 0.98 0.68 -0.22 0.57 0.02 -1.90 -0.96 113.55 112.73 3a2w h SER 50 Ca 0.27 0.01 -0.18 0.00 -0.84 0.00 0.00 61.79 61.05 3a2w h SER 50 Cb -0.09 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.31 3a2w h SER 50 CO -0.07 0.43 -0.58 0.74 -1.14 0.00 0.00 176.83 176.21 3a2w h THR 51 N 0.77 1.29 -0.11 -2.27 2.02 -0.80 -1.87 112.91 111.94 3a2w h THR 51 Ca 0.34 -1.78 -0.04 0.00 0.77 0.00 0.00 66.41 65.70 3a2w h THR 51 Cb 0.33 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 3a2w h THR 51 CO -0.12 0.57 -0.13 0.71 0.37 0.00 0.00 175.52 176.92 3a2w h THR 52 N 0.52 1.15 -0.13 3.16 1.35 -0.54 -2.35 112.91 116.08 3a2w h THR 52 Ca -0.01 -0.68 -0.09 0.00 -0.55 0.00 0.00 66.41 65.08 3a2w h THR 52 Cb 1.19 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.83 3a2w h THR 52 CO 0.13 0.21 -0.28 -0.33 -0.25 0.00 0.00 175.52 174.99 3a2w h GLU 53 N 0.16 0.42 -0.44 4.72 5.08 -0.97 -2.29 114.58 121.27 3a2w h GLU 53 Ca 0.03 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.07 3a2w h GLU 53 Cb 0.33 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3a2w h GLU 53 CO 0.02 0.89 0.09 0.74 -1.00 0.00 0.00 179.01 179.75 3a2w h PHE 54 N 0.02 0.67 -0.39 4.33 -1.00 -1.19 -0.22 116.94 119.15 3a2w h PHE 54 Ca 0.00 -0.05 -0.09 0.00 2.81 0.00 0.00 57.97 60.63 3a2w h PHE 54 Cb 0.88 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 40.22 3a2w h PHE 54 CO 0.10 0.58 -0.15 0.28 -1.61 0.00 0.00 178.31 177.52 3a2w h VAL 55 N 0.64 1.26 -0.26 -0.55 2.07 -1.42 -0.13 116.25 117.86 3a2w h VAL 55 Ca 0.14 -1.19 -0.11 0.00 0.82 0.00 0.00 66.70 66.36 3a2w h VAL 55 Cb 0.26 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 3a2w h VAL 55 CO -0.00 0.40 -0.28 -1.28 0.02 0.00 0.00 177.57 176.43 3a2w h SER 56 N 0.64 0.69 -0.71 0.57 0.87 -0.71 -1.34 113.55 113.57 3a2w h SER 56 Ca 0.11 -0.48 -0.05 0.00 -1.23 0.00 0.00 61.79 60.14 3a2w h SER 56 Cb 0.61 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.35 3a2w h SER 56 CO 0.04 1.03 0.26 -0.26 -0.53 0.00 0.00 176.83 177.38 3a2w h PHE 57 N 0.36 1.11 -0.80 2.24 -1.00 -0.93 -2.54 116.94 115.38 3a2w h PHE 57 Ca 0.04 -0.09 -0.01 0.00 2.81 0.00 0.00 57.97 60.71 3a2w h PHE 57 Cb 0.85 -0.33 -0.04 0.00 3.61 0.00 0.00 35.95 40.04 3a2w h PHE 57 CO 0.08 0.86 0.46 0.00 -1.61 0.00 0.00 178.31 178.10 3a2w h ALA 58 N 1.12 1.02 -0.01 2.45 0.00 -0.89 0.05 119.26 123.01 3a2w h ALA 58 Ca 0.23 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3a2w h ALA 58 Cb 0.24 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3a2w h ALA 58 CO -0.02 0.51 -0.37 0.00 0.00 0.00 0.00 179.25 179.38 3a2w h ARG 59 N 1.10 0.01 -0.36 0.00 3.08 -1.04 -2.76 114.38 114.42 3a2w h ARG 59 Ca 0.28 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 3a2w h ARG 59 Cb -0.00 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3a2w h ARG 59 CO -0.05 0.37 0.00 0.54 -1.07 0.00 0.00 179.97 179.77 3a2w n ARG 60 N -4.10 2.28 -0.07 0.04 1.74 -0.81 -4.56 116.66 111.18 3a2w n ARG 60 Ca -0.02 -1.94 -0.07 0.00 -0.77 0.00 0.00 57.85 55.05 3a2w n ARG 60 Cb 0.40 -1.47 -0.01 0.00 -1.02 0.00 0.00 32.46 30.36 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 3.72 -0.52 -0.49 -1.55 3.20 -0.70 0.30 116.97 120.93 3a2w h TYR 61 Ca 0.00 0.04 0.10 0.00 3.14 0.00 0.00 58.73 62.00 3a2w h TYR 61 Cb 0.82 0.27 -0.03 0.00 1.54 0.00 0.00 36.73 39.34 3a2w h TYR 61 CO 0.23 -0.28 0.34 0.93 -1.64 0.00 0.00 178.16 177.74 3a2w h GLU 62 N -0.18 0.24 -0.17 1.82 3.07 -1.82 0.83 114.58 118.37 3a2w h GLU 62 Ca 0.15 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.96 3a2w h GLU 62 Cb 0.41 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 3a2w h GLU 62 CO -0.39 0.16 -0.03 -0.44 -1.40 0.00 0.00 179.01 176.90 3a2w h ASP 63 N 0.24 0.33 -0.47 1.42 3.32 -1.27 -0.77 116.42 119.22 3a2w h ASP 63 Ca 0.23 -0.36 -0.03 0.00 0.02 0.00 0.00 57.03 56.89 3a2w h ASP 63 Cb 0.58 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.01 3a2w h ASP 63 CO -0.04 0.61 0.20 -0.26 -1.72 0.00 0.00 179.24 178.03 3a2w h PHE 64 N 0.04 0.74 -0.06 4.55 -1.00 -0.69 -2.69 116.94 117.84 3a2w h PHE 64 Ca 0.04 -0.04 0.03 0.00 2.81 0.00 0.00 57.97 60.82 3a2w h PHE 64 Cb 0.46 -0.23 -0.03 0.00 3.61 0.00 0.00 35.95 39.76 3a2w h PHE 64 CO 0.05 0.58 -0.11 0.37 -1.61 0.00 0.00 178.31 177.59 3a2w h GLN 65 N 0.73 -0.15 -0.45 1.51 5.75 -0.49 0.54 115.11 122.56 3a2w h GLN 65 Ca 0.18 0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.76 3a2w h GLN 65 Cb 0.15 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.71 3a2w h GLN 65 CO -0.02 -0.10 0.30 0.00 -2.65 0.00 0.00 178.83 176.37 3a2w h ARG 66 N -0.16 0.28 -0.00 1.69 3.08 -0.83 -0.31 114.38 118.13 3a2w h ARG 66 Ca 0.06 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3a2w h ARG 66 Cb 0.24 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3a2w h ARG 66 CO -0.15 0.18 -0.07 1.28 -1.07 0.00 0.00 179.97 180.14 3a2w n LEU 67 N -4.47 0.25 -0.14 3.04 4.77 -0.78 -4.90 117.00 114.78 3a2w n LEU 67 Ca 0.06 0.14 -0.01 0.00 -0.03 0.00 0.00 56.01 56.18 3a2w n LEU 67 Cb 0.31 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3a2w n LEU 67 CO 0.35 0.05 -0.00 0.61 -1.33 0.00 0.00 177.39 177.06 3a2w n GLY 68 N 1.29 0.43 3.37 -0.72 0.00 -0.13 -4.91 105.19 104.54 3a2w n GLY 68 Ca 0.14 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.17 2.72 0.31 1.61 1.01 0.11 -1.44 120.40 122.56 3a2w s VAL 69 Ca 0.00 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.24 3a2w s VAL 69 Cb -0.00 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 3a2w s VAL 69 CO 0.00 0.56 0.22 -0.62 0.00 0.00 0.00 175.10 175.27 3a2w s ASP 70 N -0.21 5.17 0.12 3.32 -1.08 0.16 -3.70 116.67 120.45 3a2w s ASP 70 Ca -0.00 -0.50 0.10 0.00 -0.52 0.00 0.00 52.55 51.63 3a2w s ASP 70 Cb -0.13 -1.01 -0.04 0.00 -1.46 0.00 0.00 42.92 40.27 3a2w s ASP 70 CO 0.03 -0.24 -0.25 -0.76 0.52 0.00 0.00 175.17 174.47 3a2w s LEU 71 N -3.91 2.41 -0.26 -1.34 1.43 -1.26 -0.83 118.68 114.92 3a2w s LEU 71 Ca 0.38 -0.70 -0.08 0.00 -1.03 0.00 0.00 54.13 52.70 3a2w s LEU 71 Cb -0.06 -1.30 0.12 0.00 0.03 0.00 0.00 46.19 44.98 3a2w s LEU 71 CO 0.25 0.18 0.55 -0.51 0.23 0.00 0.00 176.35 177.05 3a2w s ILE 72 N -1.07 -0.85 0.46 -0.59 2.07 -0.89 -4.29 121.20 116.03 3a2w s ILE 72 Ca 0.15 0.07 -0.00 0.00 -1.41 0.00 0.00 60.65 59.45 3a2w s ILE 72 Cb -0.10 -0.86 0.09 0.00 0.13 0.00 0.00 42.46 41.72 3a2w s ILE 72 CO 0.07 0.03 0.63 0.61 -1.91 0.00 0.00 174.94 174.36 3a2w n GLY 73 N 5.42 0.66 3.64 1.50 0.00 -0.13 -2.05 105.19 114.24 3a2w n GLY 73 Ca -0.10 -2.00 -0.06 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.44 0.26 0.99 0.20 -0.61 -0.68 118.68 118.40 3a2w s LEU 74 Ca 0.42 0.77 -0.12 0.00 0.69 0.00 0.00 54.13 55.89 3a2w s LEU 74 Cb -0.02 1.75 -0.00 0.00 -0.43 0.00 0.00 46.19 47.48 3a2w s LEU 74 CO 0.28 -0.13 0.49 -0.94 -0.29 0.00 0.00 176.35 175.76 3a2w s SER 75 N 0.72 0.02 0.00 3.68 1.04 -1.11 -1.12 113.70 116.92 3a2w s SER 75 Ca -0.02 -1.00 0.29 0.00 0.48 0.00 0.00 55.95 55.70 3a2w s SER 75 Cb -0.04 0.61 1.31 0.00 0.10 0.00 0.00 66.02 68.00 3a2w s SER 75 CO -0.11 -1.18 1.92 1.33 0.98 0.00 0.00 173.24 176.18 3a2w n VAL 76 N -0.41 0.00 -1.30 5.02 0.24 -1.26 -1.17 118.33 119.45 3a2w n VAL 76 Ca -0.02 -0.03 -0.30 0.00 -2.04 0.00 0.00 64.34 61.96 3a2w n VAL 76 Cb 0.62 -0.28 0.13 0.00 -1.47 0.00 0.00 33.84 32.84 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 -2.59 3.65 0.72 -1.34 -0.00 -1.26 -3.22 116.67 112.64 3a2w s ASP 77 Ca 0.26 1.40 -0.07 0.00 -0.00 0.00 0.00 52.55 54.15 3a2w s ASP 77 Cb 0.20 -2.09 0.07 0.00 -0.00 0.00 0.00 42.92 41.10 3a2w s ASP 77 CO 0.49 -2.51 1.04 -0.44 -0.00 0.00 0.00 175.17 173.74 3a2w s SER 78 N -3.56 4.71 0.43 0.27 0.01 -1.26 -3.72 113.70 110.58 3a2w s SER 78 Ca 0.63 0.44 0.13 0.00 1.31 0.00 0.00 55.95 58.46 3a2w s SER 78 Cb -0.17 -1.05 0.92 0.00 0.21 0.00 0.00 66.02 65.93 3a2w s SER 78 CO 0.56 -1.67 1.96 -0.37 0.41 0.00 0.00 173.24 174.13 3a2w h VAL 79 N -0.67 1.15 -0.37 3.43 -1.51 -1.94 -1.30 116.25 115.04 3a2w h VAL 79 Ca -0.44 -0.72 -0.07 0.00 -1.23 0.00 0.00 66.70 64.24 3a2w h VAL 79 Cb 1.31 1.33 -0.01 0.00 -2.13 0.00 0.00 31.29 31.79 3a2w h VAL 79 CO 0.59 0.21 -0.03 -0.26 -1.23 0.00 0.00 177.57 176.85 3a2w h PHE 80 N 0.06 0.75 -0.52 5.19 -1.00 -1.99 -0.05 116.94 119.38 3a2w h PHE 80 Ca 0.01 -0.14 -0.12 0.00 2.81 0.00 0.00 57.97 60.53 3a2w h PHE 80 Cb 0.36 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 39.71 3a2w h PHE 80 CO 0.00 0.79 -0.14 0.77 -1.61 0.00 0.00 178.31 178.13 3a2w h SER 81 N 0.49 1.01 -0.16 2.17 0.02 -1.87 -0.31 113.55 114.90 3a2w h SER 81 Ca 0.10 -0.35 0.03 0.00 -0.84 0.00 0.00 61.79 60.73 3a2w h SER 81 Cb 0.52 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 3a2w h SER 81 CO 0.03 1.14 -0.00 0.45 -1.14 0.00 0.00 176.83 177.30 3a2w h HIS 82 N 0.89 -0.01 -0.41 3.45 3.86 -1.00 0.27 115.15 122.19 3a2w h HIS 82 Ca 0.13 0.01 -0.11 0.00 -1.16 0.00 0.00 60.37 59.24 3a2w h HIS 82 Cb 0.71 0.03 -0.02 0.00 1.06 0.00 0.00 27.41 29.19 3a2w h HIS 82 CO 0.05 -0.03 -0.19 0.82 0.86 0.00 0.00 177.93 179.44 3a2w h ILE 83 N 0.05 1.27 -0.41 2.45 2.04 -0.83 -0.90 117.51 121.17 3a2w h ILE 83 Ca 0.07 -1.29 -0.09 0.00 1.00 0.00 0.00 64.86 64.56 3a2w h ILE 83 Cb 0.09 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 3a2w h ILE 83 CO -0.13 0.43 -0.08 0.11 0.00 0.00 0.00 178.15 178.48 3a2w h LYS 84 N 0.70 0.78 -0.71 2.37 1.79 -0.66 -2.32 116.57 118.51 3a2w h LYS 84 Ca 0.10 -0.29 -0.02 0.00 -2.18 0.00 0.00 60.65 58.26 3a2w h LYS 84 Cb 0.69 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.26 3a2w h LYS 84 CO 0.05 0.90 0.36 2.35 -1.08 0.00 0.00 179.45 182.03 3a2w h TRP 85 N 0.60 1.01 -0.23 -1.35 7.01 -0.33 -1.60 115.95 121.06 3a2w h TRP 85 Ca 0.11 -0.04 -0.07 0.00 2.11 0.00 0.00 58.89 61.00 3a2w h TRP 85 Cb 0.60 -0.32 -0.01 0.00 -2.10 0.00 0.00 29.16 27.33 3a2w h TRP 85 CO 0.05 0.74 -0.14 0.87 -2.79 0.00 0.00 178.44 177.16 3a2w h LYS 86 N 0.99 0.39 -0.52 2.65 1.57 -1.05 -2.09 116.57 118.52 3a2w h LYS 86 Ca 0.25 -0.11 -0.12 0.00 -1.87 0.00 0.00 60.65 58.80 3a2w h LYS 86 Cb 0.09 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 3a2w h LYS 86 CO -0.03 0.53 -0.16 0.93 -0.57 0.00 0.00 179.45 180.15 3a2w h GLU 87 N 0.37 1.02 -0.60 3.15 5.08 -0.83 -2.28 114.58 120.48 3a2w h GLU 87 Ca 0.07 -0.40 0.01 0.00 -1.00 0.00 0.00 59.36 58.04 3a2w h GLU 87 Cb 0.47 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 3a2w h GLU 87 CO 0.03 1.09 0.39 2.35 -1.00 0.00 0.00 179.01 181.87 3a2w h TRP 88 N 0.89 0.74 -0.25 4.33 7.01 -0.78 -0.61 115.95 127.29 3a2w h TRP 88 Ca 0.13 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.13 3a2w h TRP 88 Cb 0.73 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.53 3a2w h TRP 88 CO 0.05 0.46 0.08 0.82 -2.79 0.00 0.00 178.44 177.06 3a2w h ILE 89 N 0.80 1.19 -0.60 2.65 2.04 -1.27 -0.19 117.51 122.13 3a2w h ILE 89 Ca 0.22 -0.59 -0.05 0.00 1.00 0.00 0.00 64.86 65.45 3a2w h ILE 89 Cb -0.07 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 3a2w h ILE 89 CO -0.06 0.19 0.18 -0.08 0.00 0.00 0.00 178.15 178.39 3a2w h GLU 90 N 0.24 0.90 -0.07 2.37 4.81 -1.22 0.15 114.58 121.76 3a2w h GLU 90 Ca 0.08 -0.17 -0.23 0.00 -0.13 0.00 0.00 59.36 58.91 3a2w h GLU 90 Cb 0.22 -0.14 0.02 0.00 0.63 0.00 0.00 28.75 29.47 3a2w h GLU 90 CO -0.00 0.78 -0.87 -0.09 -0.73 0.00 0.00 179.01 178.10 3a2w h ARG 91 N 0.87 0.70 0.00 1.92 2.43 -0.95 -2.69 114.38 116.67 3a2w h ARG 91 Ca 0.20 -0.67 -0.19 0.00 -0.81 0.00 0.00 59.98 58.51 3a2w h ARG 91 Cb 0.25 0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.94 3a2w h ARG 91 CO -0.01 1.26 -2.10 0.72 -1.51 0.00 0.00 179.97 178.33 3a2w n HIS 92 N -3.95 0.13 0.02 2.20 8.25 -0.10 -4.47 115.22 117.30 3a2w n HIS 92 Ca -0.09 0.04 0.08 0.00 -0.26 0.00 0.00 57.72 57.49 3a2w n HIS 92 Cb 0.79 -0.81 -0.12 0.00 1.12 0.00 0.00 29.99 30.98 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 -2.57 0.00 -1.35 1.59 2.08 0.48 -4.43 119.36 115.17 3a2w n ILE 93 Ca -0.18 -0.35 -0.01 0.00 0.56 0.00 0.00 62.75 62.77 3a2w n ILE 93 Cb 0.88 0.17 -0.00 0.00 -0.75 0.00 0.00 39.64 39.93 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 1.61 0.43 3.15 7.39 0.00 -1.01 -4.93 105.19 111.83 3a2w n GLY 94 Ca -0.03 -0.97 -0.30 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.06 1.81 -0.22 1.61 1.01 -1.24 -4.97 120.40 116.35 3a2w s VAL 95 Ca 0.00 -0.86 -0.14 0.00 0.00 0.00 0.00 61.98 60.98 3a2w s VAL 95 Cb 0.00 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 3a2w s VAL 95 CO 0.00 0.50 0.34 -0.60 0.00 0.00 0.00 175.10 175.34 3a2w s ARG 96 N 0.63 4.12 -0.40 2.72 3.52 -1.26 -2.96 118.95 125.31 3a2w s ARG 96 Ca -0.13 0.05 -0.29 0.00 -0.13 0.00 0.00 55.73 55.24 3a2w s ARG 96 Cb -0.16 -3.56 0.02 0.00 -1.56 0.00 0.00 34.95 29.69 3a2w s ARG 96 CO 0.03 -0.06 1.09 0.42 -0.81 0.00 0.00 175.30 175.97 3a2w s ILE 97 N 1.41 4.37 -1.73 4.11 -1.09 -1.26 -4.92 121.20 122.09 3a2w s ILE 97 Ca 0.15 1.43 0.28 0.00 -2.23 0.00 0.00 60.65 60.28 3a2w s ILE 97 Cb -0.15 -4.50 0.41 0.00 -1.58 0.00 0.00 42.46 36.64 3a2w s ILE 97 CO 0.08 -0.75 1.77 -0.81 -1.23 0.00 0.00 174.94 173.99 3a2w n PRO 98 N 7.34 0.79 -3.98 2.79 -0.04 -1.26 -4.94 135.00 135.69 3a2w n PRO 98 Ca 0.11 -0.35 -0.22 0.00 -0.04 0.00 0.00 63.50 63.01 3a2w n PRO 98 Cb 0.48 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 32.40 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 -2.45 2.86 0.58 0.54 -0.12 -1.26 -5.12 117.98 113.01 3a2w s PHE 99 Ca 0.28 -0.29 -0.16 0.00 -0.05 0.00 0.00 56.93 56.71 3a2w s PHE 99 Cb 0.20 -1.65 -0.04 0.00 -0.63 0.00 0.00 43.02 40.90 3a2w s PHE 99 CO 0.48 0.31 1.05 -2.14 -0.05 0.00 0.00 175.22 174.88 3a2w s PRO 100 N -3.90 3.41 -0.11 1.99 0.02 -1.26 -4.91 135.00 130.23 3a2w s PRO 100 Ca 0.38 1.22 0.01 0.00 0.02 0.00 0.00 61.00 62.63 3a2w s PRO 100 Cb -0.05 -2.04 0.02 0.00 0.02 0.00 0.00 34.50 32.44 3a2w s PRO 100 CO 0.25 -0.74 -0.11 0.42 -0.33 0.00 0.00 177.00 176.49 3a2w s ILE 101 N -2.39 1.21 0.24 2.83 -1.09 -1.26 -0.96 121.20 119.78 3a2w s ILE 101 Ca 0.64 -0.44 -0.30 0.00 -2.23 0.00 0.00 60.65 58.32 3a2w s ILE 101 Cb -0.16 -1.16 -0.09 0.00 -1.58 0.00 0.00 42.46 39.47 3a2w s ILE 101 CO 0.34 0.39 1.21 -0.63 -1.23 0.00 0.00 174.94 175.02 3a2w s ILE 102 N 1.29 3.32 -0.52 2.92 1.01 0.14 -2.16 121.20 127.21 3a2w s ILE 102 Ca -0.02 1.21 -0.11 0.00 0.00 0.00 0.00 60.65 61.73 3a2w s ILE 102 Cb -0.14 -3.77 0.13 0.00 0.01 0.00 0.00 42.46 38.69 3a2w s ILE 102 CO -0.04 0.24 0.42 0.00 0.00 0.00 0.00 174.94 175.56 3a2w s ALA 103 N -0.58 3.52 -0.94 9.38 0.00 0.42 -2.76 121.76 130.80 3a2w s ALA 103 Ca 0.50 -2.61 0.00 0.00 0.00 0.00 0.00 51.96 49.86 3a2w s ALA 103 Cb -0.34 -3.00 0.32 0.00 0.00 0.00 0.00 23.12 20.10 3a2w s ALA 103 CO 0.41 -1.97 1.64 -3.47 0.00 0.00 0.00 175.76 172.38 3a2w n ASP 104 N 4.92 6.76 -4.75 0.00 2.03 -0.32 -4.64 116.55 120.56 3a2w n ASP 104 Ca -0.08 -3.69 -0.34 0.00 0.52 0.00 0.00 54.79 51.20 3a2w n ASP 104 Cb 0.41 -1.04 0.06 0.00 -0.72 0.00 0.00 41.12 39.83 3a2w n ASP 104 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 3a2w s PRO 105 N -4.15 2.55 0.00 -0.67 0.02 -1.20 -1.76 135.00 129.78 3a2w s PRO 105 Ca 0.41 1.58 0.00 0.00 0.02 0.00 0.00 61.00 63.02 3a2w s PRO 105 Cb 0.21 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.83 3a2w s PRO 105 CO -0.13 -1.48 0.00 1.04 -0.33 0.00 0.00 177.00 176.10 3a2w n GLN 106 N -2.45 0.00 -2.47 5.54 1.13 -1.26 -4.24 117.38 113.63 3a2w n GLN 106 Ca 0.12 0.00 -0.21 0.00 -1.94 0.00 0.00 57.00 54.97 3a2w n GLN 106 Cb 0.51 -1.63 -0.00 0.00 0.11 0.00 0.00 30.24 29.22 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 -1.99 -0.50 0.16 1.08 0.00 -0.72 -4.92 105.19 98.29 3a2w n GLY 107 Ca 0.00 0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.16 0.77 -0.70 2.61 2.02 -1.79 -0.70 112.91 114.96 3a2w h THR 108 Ca -0.50 -0.07 -0.07 0.00 0.77 0.00 0.00 66.41 66.54 3a2w h THR 108 Cb 1.37 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 68.56 3a2w h THR 108 CO 0.58 0.02 0.17 0.58 0.37 0.00 0.00 175.52 177.24 3a2w h VAL 109 N -0.36 1.26 -0.53 3.16 2.07 -1.91 -2.60 116.25 117.34 3a2w h VAL 109 Ca -0.03 -0.97 -0.02 0.00 0.82 0.00 0.00 66.70 66.49 3a2w h VAL 109 Cb 0.28 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 3a2w h VAL 109 CO 0.06 0.37 0.23 0.00 0.02 0.00 0.00 177.57 178.24 3a2w h ALA 110 N 1.11 1.41 -0.02 1.67 0.00 -1.86 -2.39 119.26 119.17 3a2w h ALA 110 Ca 0.22 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 3a2w h ALA 110 Cb 0.37 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3a2w h ALA 110 CO 0.00 0.46 -0.80 -0.09 0.00 0.00 0.00 179.25 178.82 3a2w h ARG 111 N 0.75 0.24 0.00 0.00 2.43 -0.86 0.27 114.38 117.20 3a2w h ARG 111 Ca 0.18 -0.23 -0.06 0.00 -0.81 0.00 0.00 59.98 59.06 3a2w h ARG 111 Cb 0.12 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 3a2w h ARG 111 CO -0.02 0.92 -0.29 -0.09 -1.51 0.00 0.00 179.97 178.98 3a2w h ARG 112 N 0.15 0.00 -0.32 0.20 2.43 -1.18 -2.96 114.38 112.70 3a2w h ARG 112 Ca -0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3a2w h ARG 112 Cb 1.39 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.94 3a2w h ARG 112 CO 0.12 0.29 0.00 1.28 -1.51 0.00 0.00 179.97 180.15 3a2w n LEU 113 N -3.33 3.36 -3.65 3.80 4.77 -0.93 -4.35 117.00 116.68 3a2w n LEU 113 Ca 0.01 -1.42 -0.25 0.00 -0.03 0.00 0.00 56.01 54.32 3a2w n LEU 113 Cb 0.52 -0.20 0.07 0.00 -2.33 0.00 0.00 43.42 41.48 3a2w n LEU 113 CO 0.35 0.70 0.21 0.61 -1.33 0.00 0.00 177.39 177.94 3a2w n GLY 114 N 1.44 -0.53 0.22 -0.72 0.00 -0.66 -4.62 105.19 100.32 3a2w n GLY 114 Ca 0.18 0.24 0.14 0.00 0.00 0.00 0.00 46.02 46.57 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 -4.91 0.86 -4.45 0.99 4.77 0.85 -4.73 117.00 110.39 3a2w n LEU 115 Ca -0.00 -0.19 -0.40 0.00 -0.03 0.00 0.00 56.01 55.39 3a2w n LEU 115 Cb 0.56 -0.13 -0.11 0.00 -2.33 0.00 0.00 43.42 41.41 3a2w n LEU 115 CO 0.67 0.16 -0.15 -0.76 -1.33 0.00 0.00 177.39 175.98 3a2w s LEU 116 N -2.43 4.56 0.00 2.23 1.43 -1.26 -1.41 118.68 121.81 3a2w s LEU 116 Ca 0.28 -0.70 0.04 0.00 -1.03 0.00 0.00 54.13 52.71 3a2w s LEU 116 Cb 0.20 -2.07 0.04 0.00 0.03 0.00 0.00 46.19 44.39 3a2w s LEU 116 CO 0.48 -0.30 0.32 1.41 0.23 0.00 0.00 176.35 178.48 3a2w n HIS 117 N 5.05 -1.28 0.24 0.29 8.25 -1.25 -5.01 115.22 121.50 3a2w n HIS 117 Ca -0.12 -1.45 0.06 0.00 -0.26 0.00 0.00 57.72 55.95 3a2w n HIS 117 Cb 0.48 -0.30 0.56 0.00 1.12 0.00 0.00 29.99 31.85 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 0.60 1.83 -0.11 -1.41 0.00 -1.97 -3.16 119.26 115.03 3a2w h ALA 118 Ca -0.21 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.63 3a2w h ALA 118 Cb 0.81 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 3a2w h ALA 118 CO 0.32 0.13 -0.33 0.93 0.00 0.00 0.00 179.25 180.30 3a2w h GLU 119 N 0.01 -0.32 -4.82 0.00 5.08 -1.96 -3.41 114.58 109.16 3a2w h GLU 119 Ca 0.00 0.02 -0.54 0.00 -1.00 0.00 0.00 59.36 57.84 3a2w h GLU 119 Cb 0.17 0.07 -0.33 0.00 0.50 0.00 0.00 28.75 29.17 3a2w h GLU 119 CO 0.01 -0.21 -0.83 0.45 -1.00 0.00 0.00 179.01 177.44 3a2w s SER 120 N -3.97 1.98 0.31 1.42 0.15 -1.20 -5.01 113.70 107.38 3a2w s SER 120 Ca -0.09 -0.33 0.24 0.00 0.70 0.00 0.00 55.95 56.46 3a2w s SER 120 Cb 0.04 -0.80 0.37 0.00 -1.71 0.00 0.00 66.02 63.92 3a2w s SER 120 CO 0.37 0.08 1.50 0.00 1.20 0.00 0.00 173.24 176.38 3a2w h ALA 121 N 6.73 0.85 0.00 5.45 0.00 -1.81 -3.34 119.26 127.14 3a2w h ALA 121 Ca -0.30 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.44 3a2w h ALA 121 Cb 1.19 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 3a2w h ALA 121 CO 0.48 0.00 -1.96 0.25 0.00 0.00 0.00 179.25 178.01 3a2w n THR 122 N -2.73 0.62 -4.59 0.00 -2.24 -1.26 -5.00 114.28 99.09 3a2w n THR 122 Ca 0.03 -0.56 -0.30 0.00 -2.27 0.00 0.00 64.05 60.96 3a2w n THR 122 Cb 0.50 -0.28 -0.13 0.00 -2.10 0.00 0.00 70.33 68.32 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 -2.74 2.38 0.52 4.78 4.02 -1.26 -4.91 115.29 118.08 3a2w s HIS 123 Ca -0.07 -0.36 -0.16 0.00 1.02 0.00 0.00 55.06 55.49 3a2w s HIS 123 Cb 0.07 -1.34 -0.07 0.00 -1.02 0.00 0.00 32.58 30.22 3a2w s HIS 123 CO 0.68 0.26 0.99 0.95 1.02 0.00 0.00 174.74 178.65 3a2w s THR 124 N -0.97 4.46 0.00 1.30 -4.23 -1.26 -4.55 115.64 110.39 3a2w s THR 124 Ca 0.14 1.18 0.00 0.00 -1.18 0.00 0.00 61.69 61.83 3a2w s THR 124 Cb -0.10 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 70.05 3a2w s THR 124 CO 0.05 -0.67 0.00 1.33 -0.54 0.00 0.00 174.62 174.79 3a2w n VAL 125 N -1.63 0.00 -3.08 2.29 0.24 -0.50 -2.82 118.33 112.83 3a2w n VAL 125 Ca 0.07 0.00 -0.44 0.00 -2.04 0.00 0.00 64.34 61.93 3a2w n VAL 125 Cb 0.54 -1.82 0.01 0.00 -1.47 0.00 0.00 33.84 31.09 3a2w n VAL 125 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3a2w n ARG 126 N -0.90 4.23 -2.65 7.34 1.74 -0.20 -3.94 116.66 122.29 3a2w n ARG 126 Ca 0.00 -4.52 -0.29 0.00 -0.77 0.00 0.00 57.85 52.26 3a2w n ARG 126 Cb 0.00 -2.53 -0.02 0.00 -1.02 0.00 0.00 32.46 28.90 3a2w n ARG 126 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3a2w s GLY 127 N -0.95 1.77 -0.05 -0.13 0.00 -1.25 -1.87 107.32 104.84 3a2w s GLY 127 Ca 0.31 -0.27 -0.00 0.00 0.00 0.00 0.00 44.72 44.76 3a2w s GLY 127 CO 0.06 -0.07 -0.01 0.14 0.00 0.00 0.00 173.10 173.21 3a2w s VAL 128 N -2.59 0.36 -0.19 1.40 1.01 0.13 -1.39 120.40 119.13 3a2w s VAL 128 Ca 0.51 0.05 -0.00 0.00 0.00 0.00 0.00 61.98 62.54 3a2w s VAL 128 Cb -0.10 -0.47 0.01 0.00 0.00 0.00 0.00 36.38 35.81 3a2w s VAL 128 CO 0.38 0.22 -0.15 -0.36 0.00 0.00 0.00 175.10 175.19 3a2w s PHE 129 N 1.47 2.83 -0.29 5.22 0.40 0.12 -1.92 117.98 125.80 3a2w s PHE 129 Ca -0.03 -1.37 -0.10 0.00 -0.60 0.00 0.00 56.93 54.83 3a2w s PHE 129 Cb -0.13 -1.97 -0.02 0.00 0.51 0.00 0.00 43.02 41.41 3a2w s PHE 129 CO -0.03 -0.69 0.16 0.42 0.70 0.00 0.00 175.22 175.77 3a2w s ILE 130 N 1.28 4.81 -0.10 0.64 1.01 -0.84 -1.06 121.20 126.94 3a2w s ILE 130 Ca 0.04 -0.19 0.03 0.00 0.00 0.00 0.00 60.65 60.53 3a2w s ILE 130 Cb -0.14 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 38.97 3a2w s ILE 130 CO -0.08 0.16 -0.21 -0.69 0.00 0.00 0.00 174.94 174.12 3a2w s VAL 131 N 1.67 1.89 1.06 2.92 1.01 -0.56 0.05 120.40 128.44 3a2w s VAL 131 Ca 0.06 -0.91 -0.17 0.00 0.00 0.00 0.00 61.98 60.96 3a2w s VAL 131 Cb -0.16 -1.66 0.23 0.00 0.00 0.00 0.00 36.38 34.79 3a2w s VAL 131 CO 0.07 0.52 1.21 1.51 0.00 0.00 0.00 175.10 178.42 3a2w s ASP 132 N 0.51 2.26 0.08 3.32 1.47 -0.75 -1.37 116.67 122.18 3a2w s ASP 132 Ca -0.16 0.51 0.09 0.00 1.18 0.00 0.00 52.55 54.17 3a2w s ASP 132 Cb -0.17 -0.70 0.42 0.00 -0.34 0.00 0.00 42.92 42.13 3a2w s ASP 132 CO 0.06 -3.29 1.27 0.00 0.68 0.00 0.00 175.17 173.89 3a2w n ALA 133 N -4.18 1.19 0.96 2.11 0.00 -1.25 -0.45 120.51 118.89 3a2w n ALA 133 Ca 0.13 0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.73 3a2w n ALA 133 Cb 0.59 -1.14 0.24 0.00 0.00 0.00 0.00 19.45 19.15 3a2w n ALA 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3a2w n ARG 134 N -1.69 2.18 -1.00 0.00 1.74 -1.26 -4.60 116.66 112.01 3a2w n ARG 134 Ca 0.01 -1.73 -0.00 0.00 -0.77 0.00 0.00 57.85 55.35 3a2w n ARG 134 Cb 0.06 -1.47 -0.00 0.00 -1.02 0.00 0.00 32.46 30.03 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 1.33 0.42 3.78 -0.13 0.00 0.40 -4.97 105.19 106.02 3a2w n GLY 135 Ca 0.17 -0.79 -0.36 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.00 5.37 0.04 1.61 1.01 -1.26 0.06 120.40 125.23 3a2w s VAL 136 Ca 0.00 0.37 -0.30 0.00 0.00 0.00 0.00 61.98 62.05 3a2w s VAL 136 Cb 0.00 -3.53 -0.07 0.00 0.00 0.00 0.00 36.38 32.79 3a2w s VAL 136 CO 0.00 0.49 1.46 -0.63 0.00 0.00 0.00 175.10 176.42 3a2w s ILE 137 N -0.15 3.47 -0.06 2.22 1.01 -0.18 -1.80 121.20 125.71 3a2w s ILE 137 Ca 0.14 0.92 0.12 0.00 0.00 0.00 0.00 60.65 61.83 3a2w s ILE 137 Cb -0.12 -3.59 -0.18 0.00 0.01 0.00 0.00 42.46 38.58 3a2w s ILE 137 CO 0.03 0.01 0.18 0.54 0.00 0.00 0.00 174.94 175.71 3a2w n ARG 138 N 5.14 1.07 -3.54 2.79 5.12 0.11 -0.87 116.66 126.48 3a2w n ARG 138 Ca 0.13 -0.07 -0.17 0.00 -1.93 0.00 0.00 57.85 55.81 3a2w n ARG 138 Cb 0.43 -1.30 -0.06 0.00 -1.16 0.00 0.00 32.46 30.36 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 -2.64 0.00 -0.03 0.55 2.01 -1.21 -4.91 115.64 109.41 3a2w s THR 139 Ca -0.05 0.00 -0.00 0.00 0.31 0.00 0.00 61.69 61.94 3a2w s THR 139 Cb 0.06 -1.00 0.03 0.00 0.01 0.00 0.00 72.50 71.60 3a2w s THR 139 CO 0.51 0.00 0.03 -0.04 -0.69 0.00 0.00 174.62 174.43 3a2w s MET 140 N -0.95 0.10 -0.03 4.92 -1.94 -1.26 -1.98 119.30 118.16 3a2w s MET 140 Ca -0.09 0.19 0.06 0.00 -1.71 0.00 0.00 55.69 54.14 3a2w s MET 140 Cb -0.01 -0.42 -0.01 0.00 2.01 0.00 0.00 34.83 36.40 3a2w s MET 140 CO 0.08 -0.20 -0.21 -0.51 -0.01 0.00 0.00 175.02 174.17 3a2w s LEU 141 N 1.33 2.02 -0.33 -0.03 1.43 -0.81 -4.97 118.68 117.33 3a2w s LEU 141 Ca -0.06 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 52.66 3a2w s LEU 141 Cb -0.13 -1.13 0.10 0.00 0.03 0.00 0.00 46.19 45.06 3a2w s LEU 141 CO -0.03 0.24 0.07 -0.31 0.23 0.00 0.00 176.35 176.55 3a2w s TYR 142 N -0.34 2.93 0.25 0.29 1.51 -1.26 -0.69 117.35 120.04 3a2w s TYR 142 Ca 0.04 -2.48 -0.00 0.00 -1.01 0.00 0.00 57.07 53.62 3a2w s TYR 142 Cb -0.10 -2.42 -0.04 0.00 -0.11 0.00 0.00 41.96 39.29 3a2w s TYR 142 CO 0.01 -0.92 0.45 0.71 -1.11 0.00 0.00 175.55 174.68 3a2w s TYR 143 N 1.19 3.48 0.73 2.71 1.51 -0.78 -4.96 117.35 121.24 3a2w s TYR 143 Ca 0.10 0.33 -0.08 0.00 -1.01 0.00 0.00 57.07 56.42 3a2w s TYR 143 Cb -0.18 -1.86 0.16 0.00 -0.11 0.00 0.00 41.96 39.97 3a2w s TYR 143 CO -0.15 0.30 1.00 -0.35 -1.11 0.00 0.00 175.55 175.24 3a2w n PRO 144 N -1.07 -0.60 -0.20 -1.71 -0.04 -1.26 -1.03 135.00 129.10 3a2w n PRO 144 Ca -0.05 -2.00 -0.10 0.00 -0.04 0.00 0.00 63.50 61.31 3a2w n PRO 144 Cb 0.55 -0.89 0.02 0.00 -0.04 0.00 0.00 33.50 33.14 3a2w n PRO 144 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 3a2w h MET 145 N 0.00 1.04 -0.01 0.54 2.86 -1.95 -3.17 114.93 114.24 3a2w h MET 145 Ca -0.33 -0.35 0.00 0.00 -2.06 0.00 0.00 59.70 56.96 3a2w h MET 145 Cb 1.02 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.59 3a2w h MET 145 CO 0.28 1.05 0.00 -0.85 1.06 0.00 0.00 176.91 178.44 3a2w n GLU 146 N -4.19 1.19 -3.95 1.72 0.00 -1.26 -4.79 120.64 109.36 3a2w n GLU 146 Ca 0.02 -0.27 -0.28 0.00 0.00 0.00 0.00 57.16 56.62 3a2w n GLU 146 Cb 0.37 -1.45 -0.17 0.00 0.00 0.00 0.00 31.44 30.19 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 -1.89 1.52 0.48 -1.84 0.20 -1.20 -5.12 118.68 110.83 3a2w s LEU 147 Ca 0.41 -0.47 -0.20 0.00 0.69 0.00 0.00 54.13 54.56 3a2w s LEU 147 Cb 0.20 -1.00 -0.09 0.00 -0.43 0.00 0.00 46.19 44.87 3a2w s LEU 147 CO 0.33 -0.11 1.02 -0.83 -0.29 0.00 0.00 176.35 176.47 3a2w s GLY 148 N 1.60 2.45 0.85 7.98 0.00 -1.26 -4.50 107.32 114.44 3a2w s GLY 148 Ca 0.04 0.54 -0.12 0.00 0.00 0.00 0.00 44.72 45.18 3a2w s GLY 148 CO -0.09 0.85 1.11 0.50 0.00 0.00 0.00 173.10 175.47 3a2w s ARG 149 N -3.29 1.62 -0.63 2.90 0.52 -1.26 -5.01 118.95 113.79 3a2w s ARG 149 Ca 0.66 0.54 -0.07 0.00 -0.52 0.00 0.00 55.73 56.35 3a2w s ARG 149 Cb -0.15 -1.87 0.16 0.00 0.52 0.00 0.00 34.95 33.62 3a2w s ARG 149 CO 0.20 -1.92 0.49 -1.17 0.02 0.00 0.00 175.30 172.91 3a2w s LEU 150 N -5.94 5.68 0.51 2.53 0.20 -1.26 -4.97 118.68 115.44 3a2w s LEU 150 Ca 0.62 -2.61 0.16 0.00 0.69 0.00 0.00 54.13 52.99 3a2w s LEU 150 Cb -0.15 -1.96 1.24 0.00 -0.43 0.00 0.00 46.19 44.88 3a2w s LEU 150 CO 0.54 -0.48 2.13 0.58 -0.29 0.00 0.00 176.35 178.83 3a2w h VAL 151 N 5.37 0.99 -0.02 1.68 2.07 -1.96 -2.40 116.25 121.97 3a2w h VAL 151 Ca -0.03 -0.02 -0.06 0.00 0.82 0.00 0.00 66.70 67.41 3a2w h VAL 151 Cb 1.00 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 3a2w h VAL 151 CO 0.75 0.01 -0.27 0.44 0.02 0.00 0.00 177.57 178.52 3a2w h ASP 152 N 0.06 0.03 0.10 0.57 3.32 -1.93 -2.20 116.42 116.36 3a2w h ASP 152 Ca 0.04 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 3a2w h ASP 152 Cb 0.08 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3a2w h ASP 152 CO -0.00 0.30 -0.27 -0.08 -1.72 0.00 0.00 179.24 177.47 3a2w h GLU 153 N 0.03 0.29 -0.23 3.56 4.57 -1.79 -0.26 114.58 120.75 3a2w h GLU 153 Ca 0.00 -0.10 -0.07 0.00 -1.18 0.00 0.00 59.36 58.01 3a2w h GLU 153 Cb 0.50 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 3a2w h GLU 153 CO 0.04 0.54 -0.16 0.82 -1.18 0.00 0.00 179.01 179.07 3a2w h ILE 154 N 0.26 1.23 -0.10 2.32 2.04 -1.47 0.12 117.51 121.91 3a2w h ILE 154 Ca 0.04 -1.01 -0.20 0.00 1.00 0.00 0.00 64.86 64.69 3a2w h ILE 154 Cb 0.62 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 3a2w h ILE 154 CO 0.04 0.32 -0.76 -0.07 0.00 0.00 0.00 178.15 177.69 3a2w h LEU 155 N 0.36 0.63 -0.76 1.44 3.38 -1.20 -2.53 115.31 116.63 3a2w h LEU 155 Ca 0.07 -0.42 -0.09 0.00 0.09 0.00 0.00 57.88 57.53 3a2w h LEU 155 Cb 0.50 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3a2w h LEU 155 CO 0.03 1.18 -0.02 -0.09 0.09 0.00 0.00 178.44 179.63 3a2w h ARG 156 N 0.36 0.92 0.13 1.13 2.43 -0.31 -1.76 114.38 117.27 3a2w h ARG 156 Ca -0.04 -0.28 -0.01 0.00 -0.81 0.00 0.00 59.98 58.84 3a2w h ARG 156 Cb 1.36 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 3a2w h ARG 156 CO 0.14 0.92 -0.06 0.82 -1.51 0.00 0.00 179.97 180.28 3a2w h ILE 157 N 0.84 0.97 -0.54 1.20 2.04 -0.67 -0.58 117.51 120.76 3a2w h ILE 157 Ca 0.15 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 3a2w h ILE 157 Cb 0.53 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 3a2w h ILE 157 CO 0.03 0.09 0.31 -0.37 0.00 0.00 0.00 178.15 178.22 3a2w h VAL 158 N -0.36 1.17 -0.10 1.67 -1.51 -1.38 -0.40 116.25 115.35 3a2w h VAL 158 Ca -0.02 -0.42 0.00 0.00 -1.23 0.00 0.00 66.70 65.04 3a2w h VAL 158 Cb 0.29 0.46 -0.01 0.00 -2.13 0.00 0.00 31.29 29.91 3a2w h VAL 158 CO 0.03 0.18 0.06 0.50 -1.23 0.00 0.00 177.57 177.11 3a2w h LYS 159 N 0.73 0.12 -0.53 5.19 3.11 -1.30 -0.70 116.57 123.19 3a2w h LYS 159 Ca 0.19 -0.01 0.03 0.00 -2.81 0.00 0.00 60.65 58.05 3a2w h LYS 159 Cb 0.02 -0.03 -0.04 0.00 -1.00 0.00 0.00 32.23 31.18 3a2w h LYS 159 CO -0.03 0.08 0.31 0.00 -2.81 0.00 0.00 179.45 177.00 3a2w h ALA 160 N 1.04 0.69 -0.49 5.00 0.00 -0.86 -1.53 119.26 123.11 3a2w h ALA 160 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3a2w h ALA 160 Cb -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3a2w h ALA 160 CO -0.01 0.01 0.27 -0.07 0.00 0.00 0.00 179.25 179.46 3a2w h LEU 161 N 0.62 0.60 -0.33 0.00 4.07 -0.81 0.34 115.31 119.80 3a2w h LEU 161 Ca 0.22 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.10 3a2w h LEU 161 Cb 0.04 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 41.62 3a2w h LEU 161 CO -0.11 0.51 0.21 0.11 -1.08 0.00 0.00 178.44 178.08 3a2w h LYS 162 N 0.65 0.45 -0.71 1.13 1.57 -0.75 0.16 116.57 119.05 3a2w h LYS 162 Ca 0.17 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.85 3a2w h LYS 162 Cb 0.03 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 3a2w h LYS 162 CO -0.03 0.32 0.19 -0.07 -0.57 0.00 0.00 179.45 179.29 3a2w h LEU 163 N 0.44 1.07 -0.21 2.94 3.38 -1.12 -1.24 115.31 120.57 3a2w h LEU 163 Ca 0.12 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.89 3a2w h LEU 163 Cb -0.02 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 3a2w h LEU 163 CO -0.02 1.02 0.07 1.23 0.09 0.00 0.00 178.44 180.82 3a2w h GLY 164 N 1.07 0.26 0.99 0.83 0.00 -0.37 0.54 103.07 106.39 3a2w h GLY 164 Ca 0.23 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 3a2w h GLY 164 CO -0.00 0.02 -0.06 -0.55 0.00 0.00 0.00 176.54 175.95 3a2w h ASP 165 N 0.16 -0.14 -0.22 0.19 3.32 -0.36 0.23 116.42 119.60 3a2w h ASP 165 Ca 0.09 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.02 3a2w h ASP 165 Cb 0.07 0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 3a2w h ASP 165 CO -0.10 -0.09 -0.32 0.77 -1.72 0.00 0.00 179.24 177.78 3a2w h SER 166 N -0.17 0.66 -0.02 6.45 4.64 -1.12 -3.17 113.55 120.82 3a2w h SER 166 Ca -0.02 -0.52 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 3a2w h SER 166 Cb 0.13 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3a2w h SER 166 CO 0.03 1.05 0.00 0.18 -0.87 0.00 0.00 176.83 177.22 3a2w n LEU 167 N -4.30 0.54 -3.76 5.97 4.32 0.17 -4.94 117.00 115.01 3a2w n LEU 167 Ca -0.05 -0.20 -0.31 0.00 -0.02 0.00 0.00 56.01 55.43 3a2w n LEU 167 Cb 0.49 -0.01 0.03 0.00 -1.62 0.00 0.00 43.42 42.31 3a2w n LEU 167 CO 0.44 0.10 -0.11 0.29 -1.22 0.00 0.00 177.39 176.89 3a2w n LYS 168 N -0.53 -1.66 -4.11 3.23 4.01 -0.02 -4.98 118.16 114.09 3a2w n LYS 168 Ca 0.20 0.43 -0.09 0.00 -0.51 0.00 0.00 58.31 58.34 3a2w n LYS 168 Cb 0.18 -4.13 -0.10 0.00 -0.51 0.00 0.00 35.03 30.48 3a2w n LYS 168 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 3a2w s ARG 169 N -6.18 0.87 0.06 1.97 1.81 -0.65 -4.64 118.95 112.19 3a2w s ARG 169 Ca 0.37 -1.35 0.01 0.00 -1.72 0.00 0.00 55.73 53.05 3a2w s ARG 169 Cb -0.14 0.25 -0.04 0.00 -0.45 0.00 0.00 34.95 34.57 3a2w s ARG 169 CO 0.87 -0.24 0.15 0.00 -0.68 0.00 0.00 175.30 175.40 3a2w s ALA 170 N -4.01 3.80 -0.28 2.13 0.00 0.83 -4.51 121.76 119.72 3a2w s ALA 170 Ca 0.19 -0.92 -0.10 0.00 0.00 0.00 0.00 51.96 51.13 3a2w s ALA 170 Cb 0.07 -1.65 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 3a2w s ALA 170 CO -0.02 0.79 0.17 0.08 0.00 0.00 0.00 175.76 176.78 3a2w s VAL 171 N -1.44 5.09 0.90 0.00 1.01 -1.26 -0.15 120.40 124.54 3a2w s VAL 171 Ca 0.32 0.08 -0.11 0.00 0.00 0.00 0.00 61.98 62.26 3a2w s VAL 171 Cb -0.13 -3.42 0.13 0.00 0.00 0.00 0.00 36.38 32.96 3a2w s VAL 171 CO 0.25 0.26 1.10 -2.16 0.00 0.00 0.00 175.10 174.54 3a2w s PRO 172 N 1.73 1.23 0.28 2.72 0.04 -1.26 -4.95 135.00 134.79 3a2w s PRO 172 Ca 0.07 1.08 -0.30 0.00 0.04 0.00 0.00 61.00 61.89 3a2w s PRO 172 Cb -0.16 -1.79 -0.11 0.00 0.04 0.00 0.00 34.50 32.48 3a2w s PRO 172 CO 0.09 -2.33 1.58 0.00 0.04 0.00 0.00 177.00 176.38 3a2w s ALA 173 N -2.81 3.74 -1.36 8.56 0.00 -1.26 -2.52 121.76 126.11 3a2w s ALA 173 Ca 0.64 1.54 0.00 0.00 0.00 0.00 0.00 51.96 54.14 3a2w s ALA 173 Cb -0.20 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.29 3a2w s ALA 173 CO 0.58 -0.95 0.00 -0.25 0.00 0.00 0.00 175.76 175.14 3a2w n ASP 174 N 2.26 -4.77 -4.73 0.00 8.00 -1.26 -4.10 116.55 111.96 3a2w n ASP 174 Ca 0.08 0.32 -0.39 0.00 0.71 0.00 0.00 54.79 55.51 3a2w n ASP 174 Cb 0.38 -3.40 0.03 0.00 -0.02 0.00 0.00 41.12 38.11 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 -2.55 2.23 1.14 1.24 -0.00 -1.05 -0.05 117.44 118.40 3a2w n TRP 175 Ca -0.13 0.45 0.02 0.00 -0.00 0.00 0.00 57.50 57.84 3a2w n TRP 175 Cb 0.46 -2.37 0.07 0.00 -0.00 0.00 0.00 31.31 29.47 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 -0.66 1.52 -2.48 5.87 -0.04 -1.26 -4.91 135.00 133.04 3a2w n PRO 176 Ca 0.09 -0.55 -0.30 0.00 -0.04 0.00 0.00 63.50 62.69 3a2w n PRO 176 Cb 0.43 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 0.01 5.36 -4.71 3.54 3.02 0.93 -2.97 115.26 120.43 3a2w n ASN 177 Ca 0.05 -3.73 -0.42 0.00 -0.03 0.00 0.00 54.58 50.45 3a2w n ASN 177 Cb 0.26 -0.64 -0.03 0.00 -0.61 0.00 0.00 39.78 38.76 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 -2.93 6.95 0.54 6.41 3.84 -0.83 -4.86 114.94 124.06 3a2w s ASN 178 Ca 0.48 2.17 0.23 0.00 0.21 0.00 0.00 52.86 55.95 3a2w s ASN 178 Cb 0.37 -2.58 1.40 0.00 -0.55 0.00 0.00 41.25 39.89 3a2w s ASN 178 CO -0.22 -0.57 2.06 -0.33 -2.79 0.00 0.00 177.10 175.26 3a2w h GLU 179 N 6.85 0.00 0.00 0.43 3.07 -1.89 0.37 114.58 123.41 3a2w h GLU 179 Ca -0.42 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 58.27 3a2w h GLU 179 Cb 1.21 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.09 3a2w h GLU 179 CO 0.84 0.00 -1.18 -0.89 -1.40 0.00 0.00 179.01 176.38 3a2w n ILE 180 N -4.33 1.50 -0.03 3.13 5.41 -1.26 -4.71 119.36 119.07 3a2w n ILE 180 Ca 0.04 0.01 0.01 0.00 1.00 0.00 0.00 62.75 63.82 3a2w n ILE 180 Cb 0.39 -2.14 0.04 0.00 -0.71 0.00 0.00 39.64 37.22 3a2w n ILE 180 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 3a2w n ILE 181 N -4.47 0.90 0.00 1.39 -5.35 -1.24 -5.09 119.36 105.51 3a2w n ILE 181 Ca -0.26 -0.95 0.00 0.00 -0.27 0.00 0.00 62.75 61.26 3a2w n ILE 181 Cb 0.57 0.55 0.00 0.00 -1.74 0.00 0.00 39.64 39.03 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 -0.19 3.40 0.61 3.28 0.00 0.12 -2.01 105.19 110.40 3a2w n GLY 182 Ca 0.03 0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.19 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 11.32 1.84 -1.35 1.61 0.28 -1.16 -1.96 120.64 131.22 3a2w n GLU 183 Ca 0.00 -1.22 -0.34 0.00 -0.16 0.00 0.00 57.16 55.44 3a2w n GLU 183 Cb 0.00 -1.47 0.10 0.00 1.43 0.00 0.00 31.44 31.50 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 -1.97 2.30 0.07 -1.84 0.00 -0.85 -4.84 107.32 100.20 3a2w s GLY 184 Ca 0.35 0.87 0.07 0.00 0.00 0.00 0.00 44.72 46.02 3a2w s GLY 184 CO 0.32 1.28 -0.15 1.08 0.00 0.00 0.00 173.10 175.63 3a2w s LEU 185 N -5.30 2.79 0.10 0.66 1.43 -0.15 -4.61 118.68 113.60 3a2w s LEU 185 Ca 0.74 -0.43 -0.29 0.00 -1.03 0.00 0.00 54.13 53.12 3a2w s LEU 185 Cb -0.29 -1.63 -0.06 0.00 0.03 0.00 0.00 46.19 44.24 3a2w s LEU 185 CO 0.47 0.22 0.92 -0.63 0.23 0.00 0.00 176.35 177.55 3a2w s ILE 186 N -1.06 4.52 -0.19 -0.59 -1.09 0.79 -2.37 121.20 121.21 3a2w s ILE 186 Ca 0.17 1.97 -0.22 0.00 -2.23 0.00 0.00 60.65 60.35 3a2w s ILE 186 Cb -0.11 -4.28 -0.02 0.00 -1.58 0.00 0.00 42.46 36.47 3a2w s ILE 186 CO 0.09 0.34 0.70 -0.69 -1.23 0.00 0.00 174.94 174.14 3a2w s VAL 187 N -0.09 4.97 -0.28 2.92 1.01 -0.83 -0.12 120.40 127.97 3a2w s VAL 187 Ca 0.45 1.33 -0.40 0.00 0.00 0.00 0.00 61.98 63.35 3a2w s VAL 187 Cb -0.23 -4.01 -0.16 0.00 0.00 0.00 0.00 36.38 31.99 3a2w s VAL 187 CO 0.28 0.07 1.72 -2.65 0.00 0.00 0.00 175.10 174.53 3a2w n PRO 188 N 5.18 1.09 -0.72 2.72 -0.02 -1.26 -4.62 135.00 137.36 3a2w n PRO 188 Ca 0.01 0.40 -0.31 0.00 -2.02 0.00 0.00 63.50 61.57 3a2w n PRO 188 Cb 0.49 -2.07 0.16 0.00 -0.02 0.00 0.00 33.50 32.06 3a2w n PRO 188 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3a2w n PRO 189 N 5.20 -0.40 -2.36 0.52 -0.04 -1.26 -4.99 135.00 131.66 3a2w n PRO 189 Ca 0.26 -0.05 -0.38 0.00 -0.04 0.00 0.00 63.50 63.29 3a2w n PRO 189 Cb 0.12 -2.30 -0.02 0.00 -0.04 0.00 0.00 33.50 31.26 3a2w n PRO 189 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 3a2w s PRO 190 N -4.44 4.06 0.00 0.54 0.02 -1.26 -4.95 135.00 128.96 3a2w s PRO 190 Ca 0.66 1.74 0.09 0.00 0.02 0.00 0.00 61.00 63.51 3a2w s PRO 190 Cb -0.23 -2.62 0.01 0.00 0.02 0.00 0.00 34.50 31.68 3a2w s PRO 190 CO 0.59 -0.29 0.62 0.25 -0.33 0.00 0.00 177.00 177.85 3a2w n THR 191 N -0.01 0.00 -4.26 0.99 -2.24 -1.26 -4.89 114.28 102.61 3a2w n THR 191 Ca 0.05 -0.43 -0.15 0.00 -2.27 0.00 0.00 64.05 61.25 3a2w n THR 191 Cb 0.47 1.12 -0.10 0.00 -2.10 0.00 0.00 70.33 69.72 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 -1.13 1.13 0.22 4.28 -4.23 -1.26 -5.05 115.64 109.59 3a2w s THR 192 Ca 0.08 -2.05 -0.07 0.00 -1.18 0.00 0.00 61.69 58.46 3a2w s THR 192 Cb 0.07 -1.93 0.14 0.00 1.34 0.00 0.00 72.50 72.12 3a2w s THR 192 CO 0.20 -0.68 1.75 -0.33 -0.54 0.00 0.00 174.62 175.02 3a2w h GLU 193 N 2.73 1.13 -0.62 3.99 5.08 -1.99 -1.01 114.58 123.89 3a2w h GLU 193 Ca -0.37 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 57.70 3a2w h GLU 193 Cb 1.20 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.25 3a2w h GLU 193 CO 0.64 0.96 0.20 -0.44 -1.00 0.00 0.00 179.01 179.37 3a2w h ASP 194 N 1.08 0.87 -0.29 1.42 3.32 -1.99 -1.41 116.42 119.41 3a2w h ASP 194 Ca 0.24 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 3a2w h ASP 194 Cb 0.31 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3a2w h ASP 194 CO -0.01 0.81 -0.05 1.56 -1.72 0.00 0.00 179.24 179.84 3a2w h GLN 195 N 0.91 0.55 -0.38 3.56 4.20 -1.87 -0.19 115.11 121.89 3a2w h GLN 195 Ca 0.20 -0.20 0.01 0.00 0.06 0.00 0.00 58.65 58.73 3a2w h GLN 195 Cb 0.25 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 3a2w h GLN 195 CO -0.01 0.73 0.23 0.00 -0.67 0.00 0.00 178.83 179.11 3a2w h ALA 196 N 0.80 0.47 -0.32 3.87 0.00 -0.90 0.11 119.26 123.29 3a2w h ALA 196 Ca 0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3a2w h ALA 196 Cb 0.51 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3a2w h ALA 196 CO 0.02 -0.10 0.08 -0.09 0.00 0.00 0.00 179.25 179.16 3a2w h ARG 197 N 0.47 0.52 0.38 0.00 2.43 -1.19 -1.72 114.38 115.27 3a2w h ARG 197 Ca 0.14 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3a2w h ARG 197 Cb -0.02 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 3a2w h ARG 197 CO -0.05 0.58 -0.31 0.00 -1.51 0.00 0.00 179.97 178.68 3a2w h ALA 198 N 0.92 -0.70 -0.85 2.80 0.00 -0.75 -1.65 119.26 119.03 3a2w h ALA 198 Ca 0.10 -0.12 0.22 0.00 0.00 0.00 0.00 54.91 55.11 3a2w h ALA 198 Cb 0.29 0.42 -0.14 0.00 0.00 0.00 0.00 17.79 18.36 3a2w h ALA 198 CO 0.00 -0.92 0.13 -0.09 0.00 0.00 0.00 179.25 178.37 3a2w h ARG 199 N -0.69 0.15 0.09 0.00 9.65 -0.67 -1.90 114.38 121.00 3a2w h ARG 199 Ca -0.03 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.84 3a2w h ARG 199 Cb 0.60 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.15 3a2w h ARG 199 CO -0.02 0.10 -0.04 0.52 2.80 0.00 0.00 179.97 183.33 3a2w h MET 200 N 0.15 -0.12 0.00 0.20 2.86 -0.82 -3.23 114.93 113.97 3a2w h MET 200 Ca 0.51 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.16 3a2w h MET 200 Cb 0.99 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.68 3a2w h MET 200 CO -0.69 0.33 0.00 -0.85 1.06 0.00 0.00 176.91 176.76 3a2w n GLU 201 N -4.92 0.17 0.01 1.72 0.28 -0.66 -2.70 120.64 114.54 3a2w n GLU 201 Ca -0.09 0.14 -0.18 0.00 -0.16 0.00 0.00 57.16 56.88 3a2w n GLU 201 Cb 0.26 -1.50 -0.12 0.00 1.43 0.00 0.00 31.44 31.51 3a2w n GLU 201 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3a2w h SER 202 N 0.00 0.46 -2.91 -1.84 4.64 -1.37 -3.48 113.55 109.05 3a2w h SER 202 Ca 0.00 -0.81 -0.32 0.00 -0.47 0.00 0.00 61.79 60.19 3a2w h SER 202 Cb 0.22 -0.14 0.01 0.00 -0.31 0.00 0.00 62.40 62.18 3a2w h SER 202 CO 0.00 1.22 -0.44 0.61 -0.87 0.00 0.00 176.83 177.35 3a2w n GLY 203 N 1.21 -0.28 0.13 -0.77 0.00 -1.10 -4.92 105.19 99.46 3a2w n GLY 203 Ca -0.11 -0.14 0.09 0.00 0.00 0.00 0.00 46.02 45.86 3a2w n GLY 203 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3a2w h GLN 204 N -0.51 0.00 -6.34 1.61 3.07 -1.89 -3.47 115.11 107.58 3a2w h GLN 204 Ca -0.40 0.00 -0.61 0.00 0.09 0.00 0.00 58.65 57.73 3a2w h GLN 204 Cb 1.29 0.00 -0.14 0.00 0.08 0.00 0.00 27.48 28.71 3a2w h GLN 204 CO 0.45 0.09 -0.73 0.71 0.09 0.00 0.00 178.83 179.44 3a2w s TYR 205 N -3.23 2.48 0.01 0.06 1.51 -1.26 -5.07 117.35 111.85 3a2w s TYR 205 Ca 0.00 -0.28 -0.30 0.00 -1.01 0.00 0.00 57.07 55.48 3a2w s TYR 205 Cb 0.09 -1.14 -0.03 0.00 -0.11 0.00 0.00 41.96 40.76 3a2w s TYR 205 CO 0.77 0.60 1.02 1.03 -1.11 0.00 0.00 175.55 177.87 3a2w s ARG 206 N -3.24 4.53 0.06 -0.62 0.52 -1.16 -4.88 118.95 114.16 3a2w s ARG 206 Ca 0.27 1.49 0.02 0.00 -0.52 0.00 0.00 55.73 56.99 3a2w s ARG 206 Cb -0.07 -3.44 -0.03 0.00 0.52 0.00 0.00 34.95 31.93 3a2w s ARG 206 CO 0.15 -0.10 -0.08 0.00 0.02 0.00 0.00 175.30 175.30 3a2w n LEU 208 N 1.09 0.00 -3.80 0.00 7.99 0.37 -4.99 117.00 117.66 3a2w n LEU 208 Ca -0.20 0.00 -0.02 0.00 -0.01 0.00 0.00 56.01 55.77 3a2w n LEU 208 Cb 0.56 0.09 0.00 0.00 -0.11 0.00 0.00 43.42 43.96 3a2w n LEU 208 CO 0.23 0.09 0.82 -0.62 -1.51 0.00 0.00 177.39 176.40 3a2w s ASP 209 N -4.61 -0.08 0.62 -1.43 -1.08 -1.24 -4.97 116.67 103.88 3a2w s ASP 209 Ca -0.08 -0.48 0.40 0.00 -0.52 0.00 0.00 52.55 51.88 3a2w s ASP 209 Cb 0.12 0.44 2.05 0.00 -1.46 0.00 0.00 42.92 44.06 3a2w s ASP 209 CO 0.86 -0.84 2.22 4.11 0.52 0.00 0.00 175.17 182.05 3a2w h TRP 210 N 2.00 0.00 -0.02 -5.34 5.08 -1.95 -1.89 115.95 113.82 3a2w h TRP 210 Ca -0.26 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.71 3a2w h TRP 210 Cb 1.22 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.38 3a2w h TRP 210 CO 0.82 0.00 -0.27 -2.67 -1.28 0.00 0.00 178.44 175.04 3a2w n TRP 211 N -3.05 0.00 -3.67 0.12 4.27 -1.26 -4.39 117.44 109.46 3a2w n TRP 211 Ca -0.02 0.00 -0.28 0.00 -3.89 0.00 0.00 57.50 53.31 3a2w n TRP 211 Cb 0.15 0.00 -0.12 0.00 -1.36 0.00 0.00 31.31 29.98 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 -2.24 2.22 0.24 -2.67 5.99 -0.71 -4.61 117.98 116.20 3a2w s PHE 212 Ca 0.22 -2.71 0.10 0.00 0.00 0.00 0.00 56.93 54.55 3a2w s PHE 212 Cb 0.19 -1.83 -0.05 0.00 0.00 0.00 0.00 43.02 41.33 3a2w s PHE 212 CO 0.45 -0.72 -0.19 0.00 -0.00 0.00 0.00 175.22 174.76 3a2w s TRP 214 N -2.46 -0.00 0.00 0.00 -2.14 -0.46 -1.97 118.94 111.91 3a2w s TRP 214 Ca 0.25 -0.49 0.00 0.00 2.66 0.00 0.00 56.10 58.52 3a2w s TRP 214 Cb -0.04 0.74 0.00 0.00 -3.10 0.00 0.00 33.47 31.07 3a2w s TRP 214 CO 0.11 -1.21 0.00 -0.40 -2.66 0.00 0.00 176.95 172.79 3a2w n ASP 215 N -0.99 0.00 -3.20 -2.66 5.68 -1.00 -2.99 116.55 111.39 3a2w n ASP 215 Ca -0.06 -0.91 -0.24 0.00 -0.50 0.00 0.00 54.79 53.08 3a2w n ASP 215 Cb 0.60 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.52 3a2w n ASP 215 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3a2w n THR 216 N 0.00 1.30 0.32 2.12 -2.24 -1.26 -0.98 114.28 113.53 3a2w n THR 216 Ca 0.00 -4.90 0.15 0.00 -2.27 0.00 0.00 64.05 57.03 3a2w n THR 216 Cb 0.00 -1.52 0.52 0.00 -2.10 0.00 0.00 70.33 67.24 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 3.59 0.00 -6.75 -0.78 0.13 -1.93 -3.45 132.00 122.81 3a2w h PRO 217 Ca 0.13 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.75 3a2w h PRO 217 Cb 0.74 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.87 3a2w h PRO 217 CO 0.67 0.00 0.46 0.00 -0.23 0.00 0.00 178.00 178.91 3a2w s ALA 218 N -3.46 3.39 0.72 -0.56 0.00 -1.26 -5.03 121.76 115.55 3a2w s ALA 218 Ca 0.04 0.84 -0.11 0.00 0.00 0.00 0.00 51.96 52.73 3a2w s ALA 218 Cb 0.08 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.90 3a2w s ALA 218 CO 0.55 -0.14 1.07 -1.54 0.00 0.00 0.00 175.76 175.69 3a2w s SER 219 N -0.62 5.21 0.41 0.00 1.04 -1.26 -4.85 113.70 113.62 3a2w s SER 219 Ca 0.46 1.53 0.08 0.00 0.48 0.00 0.00 55.95 58.49 3a2w s SER 219 Cb -0.30 -2.38 0.87 0.00 0.10 0.00 0.00 66.02 64.30 3a2w s SER 219 CO 0.38 -1.54 2.05 -0.09 0.98 0.00 0.00 173.24 175.02 3a2w h ARG 220 N -0.79 0.50 -0.46 4.02 2.43 -1.98 -1.54 114.38 116.56 3a2w h ARG 220 Ca -0.45 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 58.62 3a2w h ARG 220 Cb 1.22 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.65 3a2w h ARG 220 CO 0.58 0.35 0.03 -0.44 -1.51 0.00 0.00 179.97 178.97 3a2w h ASP 221 N 0.51 0.77 -0.04 -3.80 3.32 -1.98 0.48 116.42 115.68 3a2w h ASP 221 Ca 0.14 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 3a2w h ASP 221 Cb -0.03 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.32 3a2w h ASP 221 CO -0.03 0.87 0.02 0.44 -1.72 0.00 0.00 179.24 178.82 3a2w h ASP 222 N 0.65 0.05 -0.50 6.45 3.32 -1.78 0.34 116.42 124.95 3a2w h ASP 222 Ca 0.13 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 3a2w h ASP 222 Cb 0.45 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 3a2w h ASP 222 CO 0.02 0.11 0.23 0.58 -1.72 0.00 0.00 179.24 178.46 3a2w h VAL 223 N -0.01 1.20 -0.40 -1.35 2.07 -1.20 -1.48 116.25 115.08 3a2w h VAL 223 Ca 0.01 -0.58 0.01 0.00 0.82 0.00 0.00 66.70 66.97 3a2w h VAL 223 Cb 0.07 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 3a2w h VAL 223 CO -0.00 0.22 0.24 -0.08 0.02 0.00 0.00 177.57 177.98 3a2w h GLU 224 N 0.66 0.48 -0.42 1.57 4.57 0.25 -0.83 114.58 120.87 3a2w h GLU 224 Ca 0.17 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.32 3a2w h GLU 224 Cb 0.14 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 3a2w h GLU 224 CO -0.02 0.32 0.25 1.49 -1.18 0.00 0.00 179.01 179.87 3a2w h GLU 225 N 0.50 0.56 -0.48 1.92 4.81 -0.10 -0.42 114.58 121.37 3a2w h GLU 225 Ca 0.15 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 3a2w h GLU 225 Cb -0.02 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 3a2w h GLU 225 CO -0.06 0.41 0.22 0.00 -0.73 0.00 0.00 179.01 178.85 3a2w h ALA 226 N 1.12 0.62 0.00 2.92 0.00 -0.98 -2.04 119.26 120.89 3a2w h ALA 226 Ca 0.15 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3a2w h ALA 226 Cb -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3a2w h ALA 226 CO -0.03 0.20 -0.19 0.00 0.00 0.00 0.00 179.25 179.23 3a2w h ARG 227 N 0.63 0.00 -0.56 0.00 3.08 -0.93 -2.52 114.38 114.09 3a2w h ARG 227 Ca 0.16 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.12 3a2w h ARG 227 Cb 0.15 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 3a2w h ARG 227 CO -0.02 0.19 -0.01 -0.09 -1.07 0.00 0.00 179.97 178.98 3a2w h ARG 228 N 0.00 0.99 -0.13 0.04 2.43 -0.35 -0.59 114.38 116.76 3a2w h ARG 228 Ca -0.00 -0.32 0.03 0.00 -0.81 0.00 0.00 59.98 58.88 3a2w h ARG 228 Cb 0.43 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 3a2w h ARG 228 CO 0.02 1.00 -0.05 1.88 -1.51 0.00 0.00 179.97 181.31 3a2w h TYR 229 N 0.88 -0.11 -0.46 2.20 0.99 -1.14 -1.94 116.97 117.39 3a2w h TYR 229 Ca 0.16 0.01 -0.10 0.00 2.00 0.00 0.00 58.73 60.80 3a2w h TYR 229 Cb 0.55 0.07 -0.01 0.00 1.00 0.00 0.00 36.73 38.34 3a2w h TYR 229 CO 0.04 -0.08 -0.09 -0.07 -0.00 0.00 0.00 178.16 177.96 3a2w h LEU 230 N -0.02 0.88 -0.54 3.88 3.38 -1.45 -1.96 115.31 119.47 3a2w h LEU 230 Ca 0.07 -0.35 0.05 0.00 0.09 0.00 0.00 57.88 57.74 3a2w h LEU 230 Cb 0.13 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 3a2w h LEU 230 CO -0.15 1.03 0.27 0.03 0.09 0.00 0.00 178.44 179.70 3a2w h ARG 231 N 0.72 0.50 -0.79 1.13 3.08 -0.91 -0.08 114.38 118.03 3a2w h ARG 231 Ca 0.12 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3a2w h ARG 231 Cb 0.63 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.53 3a2w h ARG 231 CO 0.04 0.33 0.50 -0.09 -1.07 0.00 0.00 179.97 179.68 3a2w h ARG 232 N 0.52 1.06 -0.36 0.04 2.43 -1.20 0.11 114.38 116.97 3a2w h ARG 232 Ca 0.24 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 3a2w h ARG 232 Cb 0.16 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 3a2w h ARG 232 CO -0.17 0.73 0.14 0.00 -1.51 0.00 0.00 179.97 179.15 3a2w h ALA 233 N 1.27 1.57 0.00 2.80 0.00 -0.53 -2.66 119.26 121.71 3a2w h ALA 233 Ca 0.29 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 3a2w h ALA 233 Cb -0.08 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3a2w h ALA 233 CO -0.06 0.34 -0.58 0.00 0.00 0.00 0.00 179.25 178.95 3a2w h ALA 234 N 1.65 0.63 -2.71 0.00 0.00 0.44 -3.46 119.26 115.82 3a2w h ALA 234 Ca 0.13 -0.53 -0.49 0.00 0.00 0.00 0.00 54.91 54.01 3a2w h ALA 234 Cb 0.11 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3a2w h ALA 234 CO -0.01 0.73 0.41 -2.00 0.00 0.00 0.00 179.25 178.37 3a2w s GLU 235 N -2.94 4.66 -0.21 0.00 2.12 0.24 -5.04 118.70 117.52 3a2w s GLU 235 Ca 0.03 1.60 -0.17 0.00 0.36 0.00 0.00 54.97 56.79 3a2w s GLU 235 Cb 0.08 -3.10 -0.03 0.00 0.26 0.00 0.00 34.13 31.33 3a2w s GLU 235 CO 0.76 0.29 0.47 0.21 -0.54 0.00 0.00 175.26 176.45 3a2w s LYS 236 N -1.54 4.16 0.09 4.30 2.20 -1.26 -4.95 119.74 122.74 3a2w s LYS 236 Ca 0.45 0.31 -0.35 0.00 -0.36 0.00 0.00 55.97 56.02 3a2w s LYS 236 Cb -0.27 -3.57 -0.18 0.00 -1.51 0.00 0.00 37.83 32.30 3a2w s LYS 236 CO 0.34 -0.14 0.92 -2.30 -0.36 0.00 0.00 175.35 173.81 3a2w n PRO 237 N 4.77 0.17 0.06 4.03 -0.02 -1.26 -4.87 135.00 137.89 3a2w n PRO 237 Ca -0.06 0.06 -0.14 0.00 -2.02 0.00 0.00 63.50 61.34 3a2w n PRO 237 Cb 0.51 -1.41 -0.05 0.00 -0.02 0.00 0.00 33.50 32.53 3a2w n PRO 237 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a2w h ALA 238 N 2.46 0.36 -3.33 3.55 0.00 -2.04 -3.42 119.26 116.84 3a2w h ALA 238 Ca -0.43 -0.70 -0.66 0.00 0.00 0.00 0.00 54.91 53.13 3a2w h ALA 238 Cb 1.42 -0.02 -0.36 0.00 0.00 0.00 0.00 17.79 18.84 3a2w h ALA 238 CO 0.63 0.80 -0.83 0.15 0.00 0.00 0.00 179.25 180.00 3a2w s LYS 239 N -3.31 2.60 0.01 0.00 1.02 -1.26 -5.11 119.74 113.69 3a2w s LYS 239 Ca -0.06 -0.95 -0.26 0.00 0.02 0.00 0.00 55.97 54.72 3a2w s LYS 239 Cb 0.09 -2.59 -0.04 0.00 -0.52 0.00 0.00 37.83 34.76 3a2w s LYS 239 CO 0.87 -0.34 0.80 -0.51 -0.92 0.00 0.00 175.35 175.25 3a2w s LEU 240 N 1.27 4.40 0.39 3.17 1.43 -1.26 -4.96 118.68 123.12 3a2w s LEU 240 Ca 0.00 1.44 0.28 0.00 -1.03 0.00 0.00 54.13 54.82 3a2w s LEU 240 Cb -0.15 -3.28 1.26 0.00 0.03 0.00 0.00 46.19 44.05 3a2w s LEU 240 CO -0.10 -0.08 1.85 -0.07 0.23 0.00 0.00 176.35 178.18 3a2w h LEU 241 N 6.19 0.00 -0.55 1.79 3.38 -1.99 -3.00 115.31 121.13 3a2w h LEU 241 Ca -0.42 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.44 3a2w h LEU 241 Cb 1.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 3a2w h LEU 241 CO 0.73 0.00 -0.52 0.10 0.09 0.00 0.00 178.44 178.84 3a2w h TYR 242 N 0.00 0.00 -0.41 1.13 -0.00 -1.93 -3.29 116.97 112.47 3a2w h TYR 242 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 58.73 58.79 3a2w h TYR 242 Cb 0.33 0.00 -0.06 0.00 0.00 0.00 0.00 36.73 37.00 3a2w h TYR 242 CO 0.00 0.52 0.07 0.93 -0.00 0.00 0.00 178.16 179.68 3a2w h GLU 243 N 0.00 0.19 -1.17 0.10 5.08 -1.95 -2.68 114.58 114.15 3a2w h GLU 243 Ca -0.01 -0.01 -0.64 0.00 -1.00 0.00 0.00 59.36 57.70 3a2w h GLU 243 Cb 1.16 -0.04 -0.35 0.00 0.50 0.00 0.00 28.75 30.02 3a2w h GLU 243 CO 0.07 0.13 0.13 -0.85 -1.00 0.00 0.00 179.01 177.49 3a2w n GLU 244 N -5.11 3.11 0.00 2.33 0.00 -1.25 -5.17 120.64 114.55 3a2w n GLU 244 Ca 0.03 -3.79 0.15 0.00 0.00 0.00 0.00 57.16 53.54 3a2w n GLU 244 Cb 0.19 -2.28 0.65 0.00 0.00 0.00 0.00 31.44 30.00 3a2w n GLU 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13