#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 -0.80 0.14 -1.23 0.00 -1.26 -5.05 107.32 99.11 3a2w s GLY 3 Ca 0.00 2.08 -0.31 0.00 0.00 0.00 0.00 44.72 46.49 3a2w s GLY 3 CO 0.00 3.72 1.39 -1.35 0.00 0.00 0.00 173.10 176.86 3a2w s SER 4 N 2.91 6.81 0.24 1.64 1.04 -1.26 -4.96 113.70 120.12 3a2w s SER 4 Ca 0.12 2.38 0.05 0.00 0.48 0.00 0.00 55.95 58.99 3a2w s SER 4 Cb -0.10 -2.59 -0.05 0.00 0.10 0.00 0.00 66.02 63.37 3a2w s SER 4 CO -0.19 -0.65 -0.05 0.27 0.98 0.00 0.00 173.24 173.61 3a2w s ILE 5 N 0.87 1.38 0.71 -1.02 -4.36 -1.26 -3.92 121.20 113.59 3a2w s ILE 5 Ca 0.63 -2.09 -0.11 0.00 -0.26 0.00 0.00 60.65 58.82 3a2w s ILE 5 Cb -0.38 -2.32 0.01 0.00 1.25 0.00 0.00 42.46 41.02 3a2w s ILE 5 CO 0.32 -0.37 1.06 -2.16 0.24 0.00 0.00 174.94 174.04 3a2w s PRO 6 N -3.77 2.85 0.20 0.37 0.04 -1.26 -5.02 135.00 128.41 3a2w s PRO 6 Ca 0.27 0.95 0.10 0.00 0.04 0.00 0.00 61.00 62.37 3a2w s PRO 6 Cb 0.04 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 3a2w s PRO 6 CO 0.09 -1.16 -0.21 -0.51 0.04 0.00 0.00 177.00 175.25 3a2w s LEU 7 N -5.58 2.46 0.23 -3.56 1.43 -1.26 -5.07 118.68 107.33 3a2w s LEU 7 Ca 0.58 -0.89 -0.32 0.00 -1.03 0.00 0.00 54.13 52.47 3a2w s LEU 7 Cb -0.14 -1.04 -0.13 0.00 0.03 0.00 0.00 46.19 44.92 3a2w s LEU 7 CO 0.55 0.05 1.55 -0.38 0.23 0.00 0.00 176.35 178.35 3a2w n ILE 8 N 0.12 0.61 0.00 -0.59 5.41 -1.26 -0.70 119.36 122.95 3a2w n ILE 8 Ca -0.11 -0.15 0.00 0.00 1.00 0.00 0.00 62.75 63.48 3a2w n ILE 8 Cb 0.57 -1.72 0.00 0.00 -0.71 0.00 0.00 39.64 37.78 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 2.73 1.63 3.88 7.39 0.00 0.19 -5.00 105.19 116.01 3a2w n GLY 9 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.82 3.76 0.47 1.61 2.02 0.12 -4.83 118.70 121.02 3a2w s GLU 10 Ca 0.00 0.33 -0.21 0.00 0.02 0.00 0.00 54.97 55.11 3a2w s GLU 10 Cb 0.00 -2.50 -0.09 0.00 0.10 0.00 0.00 34.13 31.64 3a2w s GLU 10 CO 0.00 0.10 1.02 0.50 0.02 0.00 0.00 175.26 176.90 3a2w s ARG 11 N -3.54 3.92 0.20 1.61 3.00 -1.26 -0.83 118.95 122.05 3a2w s ARG 11 Ca 0.49 1.33 -0.30 0.00 -1.00 0.00 0.00 55.73 56.24 3a2w s ARG 11 Cb -0.11 -2.15 -0.09 0.00 0.00 0.00 0.00 34.95 32.60 3a2w s ARG 11 CO 0.28 -0.32 1.42 0.12 0.00 0.00 0.00 175.30 176.80 3a2w s PHE 12 N -1.99 3.12 -0.35 5.12 5.36 0.18 -4.79 117.98 124.64 3a2w s PHE 12 Ca 0.65 1.00 -0.38 0.00 -0.96 0.00 0.00 56.93 57.24 3a2w s PHE 12 Cb -0.15 -3.76 -0.14 0.00 -0.34 0.00 0.00 43.02 38.62 3a2w s PHE 12 CO 0.19 -2.56 2.04 -2.30 -1.46 0.00 0.00 175.22 171.13 3a2w n PRO 13 N 2.92 0.93 -1.80 10.12 -0.02 -1.26 -4.52 135.00 141.36 3a2w n PRO 13 Ca 0.08 0.29 -0.42 0.00 -2.02 0.00 0.00 63.50 61.44 3a2w n PRO 13 Cb 0.41 -2.19 -0.02 0.00 -0.02 0.00 0.00 33.50 31.68 3a2w n PRO 13 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3a2w s GLU 14 N 5.32 4.14 -0.18 -0.52 2.12 -1.26 -4.61 118.70 123.72 3a2w s GLU 14 Ca 1.08 2.54 -0.29 0.00 0.36 0.00 0.00 54.97 58.65 3a2w s GLU 14 Cb -1.03 -3.05 0.13 0.00 0.26 0.00 0.00 34.13 30.43 3a2w s GLU 14 CO 0.57 -0.63 1.01 0.00 -0.54 0.00 0.00 175.26 175.66 3a2w s MET 15 N -0.01 0.58 -0.27 4.30 0.23 -0.84 -5.00 119.30 118.28 3a2w s MET 15 Ca 0.66 0.20 -0.11 0.00 -1.03 0.00 0.00 55.69 55.41 3a2w s MET 15 Cb -0.47 0.27 -0.05 0.00 -1.53 0.00 0.00 34.83 33.05 3a2w s MET 15 CO 0.43 -0.17 0.17 -2.00 -2.03 0.00 0.00 175.02 171.42 3a2w s GLU 16 N -0.93 3.93 0.13 3.16 2.12 -1.26 -0.88 118.70 124.97 3a2w s GLU 16 Ca -0.01 -0.33 0.11 0.00 0.36 0.00 0.00 54.97 55.09 3a2w s GLU 16 Cb -0.01 -3.61 -0.04 0.00 0.26 0.00 0.00 34.13 30.73 3a2w s GLU 16 CO 0.01 -0.16 -0.25 0.14 -0.54 0.00 0.00 175.26 174.46 3a2w s VAL 17 N 1.67 2.38 -0.21 3.70 -7.23 -0.14 -4.98 120.40 115.59 3a2w s VAL 17 Ca 0.07 -1.74 -0.14 0.00 -1.81 0.00 0.00 61.98 58.36 3a2w s VAL 17 Cb -0.16 -2.07 -0.04 0.00 0.56 0.00 0.00 36.38 34.67 3a2w s VAL 17 CO 0.10 0.07 0.30 -0.89 -0.31 0.00 0.00 175.10 174.36 3a2w s THR 18 N -1.15 5.27 0.33 5.32 2.01 -1.26 -1.39 115.64 124.77 3a2w s THR 18 Ca 0.16 0.49 0.05 0.00 0.31 0.00 0.00 61.69 62.70 3a2w s THR 18 Cb -0.10 -3.63 -0.07 0.00 0.01 0.00 0.00 72.50 68.71 3a2w s THR 18 CO 0.07 0.30 0.02 0.42 -0.69 0.00 0.00 174.62 174.74 3a2w s THR 19 N 1.16 1.45 -2.00 -0.82 -4.23 0.18 -0.72 115.64 110.65 3a2w s THR 19 Ca 0.14 -2.02 0.12 0.00 -1.18 0.00 0.00 61.69 58.75 3a2w s THR 19 Cb -0.14 -2.77 0.33 0.00 1.34 0.00 0.00 72.50 71.26 3a2w s THR 19 CO 0.06 -0.06 1.24 -0.90 -0.54 0.00 0.00 174.62 174.42 3a2w n ASP 20 N -0.73 0.00 -0.27 3.99 5.68 -0.76 -1.43 116.55 123.03 3a2w n ASP 20 Ca -0.03 -1.07 0.05 0.00 -0.50 0.00 0.00 54.79 53.23 3a2w n ASP 20 Cb 0.66 0.00 0.01 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 -0.75 0.00 0.00 2.11 8.25 -1.26 -4.97 115.22 118.60 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 0.79 0.63 3.70 -1.41 0.00 -0.51 -5.04 105.19 103.33 3a2w n GLY 22 Ca 0.04 -2.18 -0.37 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 -0.80 5.25 0.07 1.61 1.01 -1.26 -0.65 120.40 125.63 3a2w s VAL 23 Ca 0.00 0.65 0.02 0.00 0.00 0.00 0.00 61.98 62.64 3a2w s VAL 23 Cb 0.00 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 3a2w s VAL 23 CO 0.00 0.31 -0.07 0.27 0.00 0.00 0.00 175.10 175.62 3a2w s ILE 24 N 0.92 0.58 -0.21 2.22 -4.36 -0.49 -4.99 121.20 114.88 3a2w s ILE 24 Ca 0.18 -1.61 -0.08 0.00 -0.26 0.00 0.00 60.65 58.88 3a2w s ILE 24 Cb -0.14 -1.27 -0.04 0.00 1.25 0.00 0.00 42.46 42.25 3a2w s ILE 24 CO 0.07 -0.72 0.08 -0.75 0.24 0.00 0.00 174.94 173.86 3a2w s LYS 25 N -3.04 3.93 -0.10 0.37 2.20 -1.26 -0.96 119.74 120.88 3a2w s LYS 25 Ca 0.03 -0.36 -0.06 0.00 -0.36 0.00 0.00 55.97 55.23 3a2w s LYS 25 Cb 0.00 -3.30 -0.04 0.00 -1.51 0.00 0.00 37.83 32.98 3a2w s LYS 25 CO -0.03 0.14 0.13 -0.51 -0.36 0.00 0.00 175.35 174.72 3a2w s LEU 26 N 0.76 4.32 0.00 5.43 1.43 -0.06 -0.88 118.68 129.67 3a2w s LEU 26 Ca 0.04 0.42 0.25 0.00 -1.03 0.00 0.00 54.13 53.82 3a2w s LEU 26 Cb -0.13 -2.13 0.52 0.00 0.03 0.00 0.00 46.19 44.48 3a2w s LEU 26 CO 0.02 0.39 1.43 -0.81 0.23 0.00 0.00 176.35 177.61 3a2w n PRO 27 N 1.84 1.66 -0.31 1.29 -0.04 -1.26 -1.98 135.00 136.19 3a2w n PRO 27 Ca -0.19 -1.21 0.07 0.00 -0.04 0.00 0.00 63.50 62.13 3a2w n PRO 27 Cb 0.55 -1.47 0.16 0.00 -0.04 0.00 0.00 33.50 32.69 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 2.95 -0.69 -0.90 3.54 5.19 -1.94 -0.76 116.42 123.81 3a2w h ASP 28 Ca 0.00 0.26 0.23 0.00 -0.62 0.00 0.00 57.03 56.90 3a2w h ASP 28 Cb 0.71 0.51 -0.13 0.00 0.18 0.00 0.00 39.33 40.61 3a2w h ASP 28 CO 0.00 -0.29 0.39 -0.74 -3.12 0.00 0.00 179.24 175.48 3a2w h HIS 29 N 0.02 0.64 0.06 4.55 2.76 -1.37 0.45 115.15 122.26 3a2w h HIS 29 Ca 0.46 0.04 -0.32 0.00 -2.20 0.00 0.00 60.37 58.36 3a2w h HIS 29 Cb 0.79 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 29.58 3a2w h HIS 29 CO -0.61 -0.07 -1.76 1.88 -1.30 0.00 0.00 177.93 176.07 3a2w h TYR 30 N 0.38 0.22 -0.55 5.26 -1.99 -1.45 -3.37 116.97 115.47 3a2w h TYR 30 Ca 0.57 -0.16 -0.00 0.00 2.00 0.00 0.00 58.73 61.14 3a2w h TYR 30 Cb 1.11 -0.01 -0.03 0.00 2.00 0.00 0.00 36.73 39.81 3a2w h TYR 30 CO -0.14 1.31 0.33 0.28 -0.00 0.00 0.00 178.16 179.94 3a2w h VAL 31 N 0.03 1.17 0.00 -2.88 2.07 -0.34 0.05 116.25 116.35 3a2w h VAL 31 Ca -0.32 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 66.82 3a2w h VAL 31 Cb 2.01 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 3a2w h VAL 31 CO 0.10 0.17 0.00 -1.54 0.02 0.00 0.00 177.57 176.32 3a2w n SER 32 N -4.65 0.00 -0.07 0.57 3.41 0.07 -1.09 113.62 111.86 3a2w n SER 32 Ca 0.03 0.34 0.06 0.00 -0.26 0.00 0.00 58.87 59.04 3a2w n SER 32 Cb 0.06 -0.40 -0.05 0.00 -0.26 0.00 0.00 64.21 63.55 3a2w n SER 32 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3a2w n GLN 33 N -1.40 2.74 -1.72 4.33 6.02 -0.78 -4.98 117.38 121.59 3a2w n GLN 33 Ca 0.03 -0.16 -0.04 0.00 -0.01 0.00 0.00 57.00 56.83 3a2w n GLN 33 Cb 0.10 -1.10 -0.01 0.00 1.02 0.00 0.00 30.24 30.26 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 1.22 0.38 3.78 1.08 0.00 -0.25 -5.03 105.19 106.37 3a2w n GLY 34 Ca 0.03 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 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 -3.51 3.13 0.60 1.61 -0.14 -0.07 -4.80 119.74 116.57 3a2w s LYS 35 Ca 0.00 -0.39 -0.06 0.00 -1.36 0.00 0.00 55.97 54.17 3a2w s LYS 35 Cb 0.00 -2.92 0.01 0.00 -1.68 0.00 0.00 37.83 33.25 3a2w s LYS 35 CO 0.00 0.69 0.91 -1.58 -0.76 0.00 0.00 175.35 174.61 3a2w s TRP 36 N -1.08 3.21 -0.04 3.18 0.52 -0.35 -3.91 118.94 120.47 3a2w s TRP 36 Ca 0.19 0.61 -0.15 0.00 0.02 0.00 0.00 56.10 56.77 3a2w s TRP 36 Cb -0.12 -2.78 0.03 0.00 -1.15 0.00 0.00 33.47 29.45 3a2w s TRP 36 CO 0.09 -0.88 0.33 -0.59 0.02 0.00 0.00 176.95 175.92 3a2w s PHE 37 N -3.01 -0.24 -0.29 -1.98 -0.12 -0.34 -1.17 117.98 110.84 3a2w s PHE 37 Ca 0.54 0.44 -0.03 0.00 -0.05 0.00 0.00 56.93 57.84 3a2w s PHE 37 Cb -0.11 0.11 0.04 0.00 -0.63 0.00 0.00 43.02 42.43 3a2w s PHE 37 CO 0.45 -0.35 0.01 0.08 -0.05 0.00 0.00 175.22 175.36 3a2w s VAL 38 N -0.99 3.22 -0.21 -2.49 1.01 0.54 -1.82 120.40 119.67 3a2w s VAL 38 Ca -0.10 -1.14 -0.12 0.00 0.00 0.00 0.00 61.98 60.62 3a2w s VAL 38 Cb -0.04 -2.76 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 3a2w s VAL 38 CO 0.04 -0.00 0.21 -0.22 0.00 0.00 0.00 175.10 175.12 3a2w s LEU 39 N 1.33 4.18 0.04 3.92 2.96 -0.63 -1.85 118.68 128.63 3a2w s LEU 39 Ca -0.02 0.28 0.01 0.00 -0.22 0.00 0.00 54.13 54.18 3a2w s LEU 39 Cb -0.18 -2.21 -0.02 0.00 0.50 0.00 0.00 46.19 44.28 3a2w s LEU 39 CO -0.01 0.09 -0.06 0.72 -1.32 0.00 0.00 176.35 175.77 3a2w s PHE 40 N 0.75 0.53 0.30 5.38 -0.12 -0.63 -0.32 117.98 123.88 3a2w s PHE 40 Ca 0.11 -0.56 0.11 0.00 -0.05 0.00 0.00 56.93 56.54 3a2w s PHE 40 Cb -0.13 -0.33 -0.05 0.00 -0.63 0.00 0.00 43.02 41.88 3a2w s PHE 40 CO 0.03 -0.14 -0.11 -1.54 -0.05 0.00 0.00 175.22 173.41 3a2w s SER 41 N -1.67 3.89 -0.09 1.98 1.04 -0.36 -1.27 113.70 117.22 3a2w s SER 41 Ca -0.10 -0.99 -0.13 0.00 0.48 0.00 0.00 55.95 55.20 3a2w s SER 41 Cb -0.08 -0.45 0.03 0.00 0.10 0.00 0.00 66.02 65.62 3a2w s SER 41 CO -0.01 -0.07 0.34 -1.38 0.98 0.00 0.00 173.24 173.11 3a2w s HIS 42 N -2.50 -0.32 0.18 5.02 -3.43 -0.57 -3.67 115.29 110.00 3a2w s HIS 42 Ca 0.32 0.73 -0.23 0.00 -0.80 0.00 0.00 55.06 55.08 3a2w s HIS 42 Cb -0.03 0.12 0.10 0.00 -1.43 0.00 0.00 32.58 31.34 3a2w s HIS 42 CO 0.17 -0.26 1.57 -1.00 -2.00 0.00 0.00 174.74 173.22 3a2w h PRO 43 N 5.00 -0.16 -2.15 -0.38 0.13 -1.76 -3.39 132.00 129.29 3a2w h PRO 43 Ca -0.27 0.01 0.02 0.00 -0.87 0.00 0.00 66.00 64.89 3a2w h PRO 43 Cb 1.18 0.04 -0.18 0.00 0.13 0.00 0.00 31.00 32.17 3a2w h PRO 43 CO 0.32 -0.11 0.35 0.00 -0.23 0.00 0.00 178.00 178.34 3a2w s ALA 44 N -5.91 -1.79 0.83 -0.56 0.00 -1.26 -4.33 121.76 108.74 3a2w s ALA 44 Ca -0.14 1.15 -0.11 0.00 0.00 0.00 0.00 51.96 52.86 3a2w s ALA 44 Cb 0.15 0.10 0.09 0.00 0.00 0.00 0.00 23.12 23.46 3a2w s ALA 44 CO 0.68 -0.51 1.10 -0.51 0.00 0.00 0.00 175.76 176.53 3a2w s ASP 45 N -1.77 3.91 -1.41 0.00 1.01 -1.26 -3.61 116.67 113.54 3a2w s ASP 45 Ca -0.03 1.85 -0.10 0.00 0.71 0.00 0.00 52.55 54.99 3a2w s ASP 45 Cb -0.01 -2.48 0.03 0.00 1.01 0.00 0.00 42.92 41.48 3a2w s ASP 45 CO -0.01 -2.42 1.10 0.49 0.21 0.00 0.00 175.17 174.55 3a2w n PHE 46 N -3.77 -2.65 -4.85 4.23 3.01 -1.26 -5.01 117.46 107.16 3a2w n PHE 46 Ca 0.09 0.98 -0.27 0.00 1.01 0.00 0.00 57.45 59.26 3a2w n PHE 46 Cb 0.53 -4.69 -0.15 0.00 -0.01 0.00 0.00 39.48 35.16 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 -3.32 1.78 0.00 4.37 -4.23 -1.24 -5.09 115.64 107.91 3a2w s THR 47 Ca 0.57 -1.15 0.00 0.00 -1.18 0.00 0.00 61.69 59.94 3a2w s THR 47 Cb -0.27 -1.52 0.00 0.00 1.34 0.00 0.00 72.50 72.05 3a2w s THR 47 CO 0.76 0.34 0.96 -2.65 -0.54 0.00 0.00 174.62 173.49 3a2w n PRO 48 N 2.07 0.00 -0.21 3.99 -0.02 -1.26 -1.84 135.00 137.72 3a2w n PRO 48 Ca -0.16 0.72 0.02 0.00 -2.02 0.00 0.00 63.50 62.05 3a2w n PRO 48 Cb 0.53 -1.46 0.13 0.00 -0.02 0.00 0.00 33.50 32.67 3a2w n PRO 48 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3a2w h VAL 49 N 0.00 0.64 -0.83 -1.45 2.07 -1.99 -1.53 116.25 113.15 3a2w h VAL 49 Ca 0.00 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.46 3a2w h VAL 49 Cb 0.00 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.04 3a2w h VAL 49 CO 0.00 0.05 0.53 0.28 0.02 0.00 0.00 177.57 178.45 3a2w h SER 50 N 0.29 0.87 -0.43 0.57 0.02 -1.91 -1.05 113.55 111.92 3a2w h SER 50 Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 3a2w h SER 50 Cb 0.50 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 3a2w h SER 50 CO -0.41 0.59 0.28 0.74 -1.14 0.00 0.00 176.83 176.89 3a2w h THR 51 N 1.02 1.11 -0.44 -2.27 2.02 -0.53 -0.90 112.91 112.92 3a2w h THR 51 Ca 0.34 -0.22 -0.05 0.00 0.77 0.00 0.00 66.41 67.25 3a2w h THR 51 Cb 0.05 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 3a2w h THR 51 CO -0.13 0.11 0.05 0.71 0.37 0.00 0.00 175.52 176.63 3a2w h THR 52 N 0.58 1.22 -0.41 3.16 1.35 -0.81 -1.04 112.91 116.94 3a2w h THR 52 Ca 0.16 -0.83 -0.15 0.00 -0.55 0.00 0.00 66.41 65.04 3a2w h THR 52 Cb -0.06 0.83 -0.01 0.00 -1.73 0.00 0.00 68.15 67.18 3a2w h THR 52 CO -0.03 0.30 -0.32 -0.33 -0.25 0.00 0.00 175.52 174.88 3a2w h GLU 53 N 0.66 0.94 -0.44 4.72 5.08 -0.74 -0.94 114.58 123.86 3a2w h GLU 53 Ca 0.14 -0.46 -0.07 0.00 -1.00 0.00 0.00 59.36 57.98 3a2w h GLU 53 Cb 0.34 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 3a2w h GLU 53 CO 0.01 1.12 0.02 0.74 -1.00 0.00 0.00 179.01 179.89 3a2w h PHE 54 N 0.78 0.84 -0.43 4.33 -1.00 -0.82 -0.16 116.94 120.47 3a2w h PHE 54 Ca 0.08 -0.14 0.02 0.00 2.81 0.00 0.00 57.97 60.74 3a2w h PHE 54 Cb 0.91 -0.22 -0.03 0.00 3.61 0.00 0.00 35.95 40.22 3a2w h PHE 54 CO 0.06 0.82 0.25 0.28 -1.61 0.00 0.00 178.31 178.10 3a2w h VAL 55 N 0.62 1.03 -0.56 -0.55 2.07 -1.09 0.86 116.25 118.63 3a2w h VAL 55 Ca 0.13 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.49 3a2w h VAL 55 Cb 0.47 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 3a2w h VAL 55 CO 0.02 0.09 0.37 -1.28 0.02 0.00 0.00 177.57 176.79 3a2w h SER 56 N 0.50 0.63 -0.52 0.57 0.87 -0.88 -0.64 113.55 114.08 3a2w h SER 56 Ca 0.18 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.69 3a2w h SER 56 Cb 0.03 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 3a2w h SER 56 CO -0.09 0.45 0.18 -0.26 -0.53 0.00 0.00 176.83 176.58 3a2w h PHE 57 N 0.74 0.83 -0.69 2.24 -1.00 -0.64 -2.56 116.94 115.86 3a2w h PHE 57 Ca 0.21 -0.08 0.06 0.00 2.81 0.00 0.00 57.97 60.97 3a2w h PHE 57 Cb -0.07 -0.24 -0.05 0.00 3.61 0.00 0.00 35.95 39.20 3a2w h PHE 57 CO -0.04 0.70 0.40 0.00 -1.61 0.00 0.00 178.31 177.76 3a2w h ALA 58 N 1.03 0.93 -0.03 2.45 0.00 -0.24 -1.09 119.26 122.31 3a2w h ALA 58 Ca 0.17 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 3a2w h ALA 58 Cb 0.25 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3a2w h ALA 58 CO -0.01 0.09 -0.38 0.00 0.00 0.00 0.00 179.25 178.96 3a2w h ARG 59 N 0.74 0.06 -0.62 0.00 3.08 -0.96 -2.59 114.38 114.08 3a2w h ARG 59 Ca 0.31 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.33 3a2w h ARG 59 Cb 0.17 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3a2w h ARG 59 CO -0.17 0.44 0.00 0.54 -1.07 0.00 0.00 179.97 179.70 3a2w n ARG 60 N -4.08 3.01 -0.06 0.04 1.74 -0.77 -4.55 116.66 112.00 3a2w n ARG 60 Ca -0.02 -2.30 -0.09 0.00 -0.77 0.00 0.00 57.85 54.67 3a2w n ARG 60 Cb 0.42 -1.70 -0.02 0.00 -1.02 0.00 0.00 32.46 30.15 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 3.42 0.16 0.00 -1.55 3.20 -0.81 -1.87 116.97 119.53 3a2w h TYR 61 Ca 0.00 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 3a2w h TYR 61 Cb 1.12 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.35 3a2w h TYR 61 CO 0.57 0.08 -0.18 1.49 -1.64 0.00 0.00 178.16 178.48 3a2w h GLU 62 N 0.20 0.00 -0.37 1.82 4.81 -1.82 0.30 114.58 119.52 3a2w h GLU 62 Ca 0.10 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 3a2w h GLU 62 Cb 0.06 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 3a2w h GLU 62 CO -0.10 0.18 0.10 -0.44 -0.73 0.00 0.00 179.01 178.02 3a2w h ASP 63 N 0.00 0.55 -0.42 1.04 3.32 -1.67 0.38 116.42 119.63 3a2w h ASP 63 Ca -0.00 -0.22 -0.13 0.00 0.02 0.00 0.00 57.03 56.69 3a2w h ASP 63 Cb 0.34 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3a2w h ASP 63 CO 0.02 0.63 -0.25 -0.26 -1.72 0.00 0.00 179.24 177.66 3a2w h PHE 64 N 0.45 1.06 -0.56 4.55 -1.00 -0.89 -2.69 116.94 117.85 3a2w h PHE 64 Ca 0.12 -0.28 -0.04 0.00 2.81 0.00 0.00 57.97 60.58 3a2w h PHE 64 Cb 0.29 -0.24 -0.03 0.00 3.61 0.00 0.00 35.95 39.59 3a2w h PHE 64 CO 0.01 1.08 0.19 1.96 -1.61 0.00 0.00 178.31 179.94 3a2w h GLN 65 N 0.73 0.83 -0.38 1.51 1.08 -0.77 0.24 115.11 118.35 3a2w h GLN 65 Ca 0.09 -0.15 -0.03 0.00 -1.45 0.00 0.00 58.65 57.11 3a2w h GLN 65 Cb 0.83 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 28.10 3a2w h GLN 65 CO 0.07 0.71 0.09 -0.09 -0.95 0.00 0.00 178.83 178.66 3a2w h ARG 66 N 0.81 0.56 0.00 1.46 2.43 -0.02 -2.45 114.38 117.17 3a2w h ARG 66 Ca 0.19 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3a2w h ARG 66 Cb 0.22 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3a2w h ARG 66 CO -0.01 0.51 -0.11 1.28 -1.51 0.00 0.00 179.97 180.13 3a2w n LEU 67 N -4.33 0.64 0.00 3.80 4.77 -0.64 -4.91 117.00 116.32 3a2w n LEU 67 Ca 0.02 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 3a2w n LEU 67 Cb 0.19 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 3a2w n LEU 67 CO 0.38 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 3a2w n GLY 68 N 1.36 1.24 3.22 -0.72 0.00 -0.82 -4.96 105.19 104.50 3a2w n GLY 68 Ca 0.05 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.00 2.06 0.28 1.61 1.01 -0.02 -1.21 120.40 122.13 3a2w s VAL 69 Ca 0.00 -1.02 0.06 0.00 0.00 0.00 0.00 61.98 61.02 3a2w s VAL 69 Cb 0.00 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 3a2w s VAL 69 CO 0.00 0.56 0.39 -1.81 0.00 0.00 0.00 175.10 174.24 3a2w s ASP 70 N 0.36 6.07 0.16 3.32 1.01 -0.31 -3.50 116.67 123.77 3a2w s ASP 70 Ca -0.19 -0.09 0.11 0.00 0.71 0.00 0.00 52.55 53.09 3a2w s ASP 70 Cb -0.18 -1.52 -0.04 0.00 1.01 0.00 0.00 42.92 42.19 3a2w s ASP 70 CO 0.09 -0.23 -0.23 -0.76 0.21 0.00 0.00 175.17 174.25 3a2w s LEU 71 N -4.05 2.49 -0.30 1.23 1.43 -1.26 -0.34 118.68 117.88 3a2w s LEU 71 Ca 0.39 -0.76 -0.10 0.00 -1.03 0.00 0.00 54.13 52.63 3a2w s LEU 71 Cb -0.09 -1.29 0.14 0.00 0.03 0.00 0.00 46.19 44.99 3a2w s LEU 71 CO 0.29 0.14 0.72 -0.51 0.23 0.00 0.00 176.35 177.23 3a2w s ILE 72 N -1.42 -0.89 0.75 -0.59 -1.16 -0.77 -4.36 121.20 112.76 3a2w s ILE 72 Ca 0.19 0.00 -0.02 0.00 -0.51 0.00 0.00 60.65 60.31 3a2w s ILE 72 Cb -0.09 -1.00 0.14 0.00 0.61 0.00 0.00 42.46 42.12 3a2w s ILE 72 CO 0.09 0.00 1.03 -0.83 -2.81 0.00 0.00 174.94 172.42 3a2w s GLY 73 N 2.81 1.76 -0.28 1.50 0.00 -0.57 -1.60 107.32 110.94 3a2w s GLY 73 Ca -0.03 -1.73 -0.18 0.00 0.00 0.00 0.00 44.72 42.78 3a2w s GLY 73 CO -0.19 -1.12 0.84 -2.27 0.00 0.00 0.00 173.10 170.36 3a2w s LEU 74 N -5.22 -0.70 0.21 0.66 2.96 -0.40 -0.33 118.68 115.86 3a2w s LEU 74 Ca 0.67 1.18 -0.16 0.00 -0.22 0.00 0.00 54.13 55.60 3a2w s LEU 74 Cb -0.05 2.10 0.02 0.00 0.50 0.00 0.00 46.19 48.76 3a2w s LEU 74 CO 0.45 -0.19 0.50 -0.94 -1.32 0.00 0.00 176.35 174.86 3a2w s SER 75 N 1.18 -0.20 0.12 3.68 1.04 -1.08 -1.51 113.70 116.93 3a2w s SER 75 Ca -0.07 -0.62 0.23 0.00 0.48 0.00 0.00 55.95 55.98 3a2w s SER 75 Cb -0.05 0.58 0.91 0.00 0.10 0.00 0.00 66.02 67.56 3a2w s SER 75 CO -0.14 -1.08 1.72 1.33 0.98 0.00 0.00 173.24 176.05 3a2w n VAL 76 N -0.34 0.62 -1.06 5.02 0.24 -1.26 -0.79 118.33 120.75 3a2w n VAL 76 Ca -0.08 0.06 -0.30 0.00 -2.04 0.00 0.00 64.34 61.98 3a2w n VAL 76 Cb 0.62 -0.82 0.15 0.00 -1.47 0.00 0.00 33.84 32.32 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 -3.68 3.17 0.69 -1.34 1.11 -1.26 -2.61 116.67 112.75 3a2w s ASP 77 Ca 0.09 1.60 -0.10 0.00 0.18 0.00 0.00 52.55 54.32 3a2w s ASP 77 Cb 0.12 -2.26 0.02 0.00 1.07 0.00 0.00 42.92 41.87 3a2w s ASP 77 CO 0.44 -2.85 1.05 -0.94 1.18 0.00 0.00 175.17 174.06 3a2w s SER 78 N -3.21 5.37 0.44 0.27 1.04 -1.26 -3.59 113.70 112.76 3a2w s SER 78 Ca 0.64 0.97 0.13 0.00 0.48 0.00 0.00 55.95 58.17 3a2w s SER 78 Cb -0.19 -1.78 0.98 0.00 0.10 0.00 0.00 66.02 65.13 3a2w s SER 78 CO 0.58 -1.33 2.00 -0.37 0.98 0.00 0.00 173.24 175.10 3a2w h VAL 79 N -0.57 1.12 -0.53 5.02 -1.51 -1.93 -2.07 116.25 115.78 3a2w h VAL 79 Ca -0.45 -0.55 -0.00 0.00 -1.23 0.00 0.00 66.70 64.47 3a2w h VAL 79 Cb 1.26 1.21 -0.03 0.00 -2.13 0.00 0.00 31.29 31.61 3a2w h VAL 79 CO 0.63 0.16 0.31 -0.26 -1.23 0.00 0.00 177.57 177.19 3a2w h PHE 80 N 0.08 0.70 -0.47 5.19 -1.00 -2.00 -1.03 116.94 118.42 3a2w h PHE 80 Ca 0.02 -0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.69 3a2w h PHE 80 Cb 0.27 -0.23 -0.02 0.00 3.61 0.00 0.00 35.95 39.58 3a2w h PHE 80 CO 0.00 0.49 -0.13 0.77 -1.61 0.00 0.00 178.31 177.83 3a2w h SER 81 N 0.71 0.87 -0.38 2.17 0.02 -1.82 -1.88 113.55 113.24 3a2w h SER 81 Ca 0.19 -0.28 0.03 0.00 -0.84 0.00 0.00 61.79 60.88 3a2w h SER 81 Cb -0.00 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 3a2w h SER 81 CO -0.03 1.01 0.19 0.45 -1.14 0.00 0.00 176.83 177.31 3a2w h HIS 82 N 0.78 0.35 -0.46 3.45 3.86 -0.90 0.17 115.15 122.40 3a2w h HIS 82 Ca 0.12 0.02 -0.13 0.00 -1.16 0.00 0.00 60.37 59.22 3a2w h HIS 82 Cb 0.65 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 29.01 3a2w h HIS 82 CO 0.04 0.19 -0.23 0.82 0.86 0.00 0.00 177.93 179.61 3a2w h ILE 83 N 0.39 1.27 -0.48 2.45 2.04 -1.05 -1.23 117.51 120.90 3a2w h ILE 83 Ca 0.16 -1.39 -0.10 0.00 1.00 0.00 0.00 64.86 64.53 3a2w h ILE 83 Cb 0.06 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 3a2w h ILE 83 CO -0.11 0.48 -0.10 0.11 0.00 0.00 0.00 178.15 178.53 3a2w h LYS 84 N 0.83 0.88 -0.55 2.37 1.79 -1.06 -1.62 116.57 119.21 3a2w h LYS 84 Ca 0.10 -0.30 -0.10 0.00 -2.18 0.00 0.00 60.65 58.17 3a2w h LYS 84 Cb 0.80 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.36 3a2w h LYS 84 CO 0.07 0.94 -0.06 2.35 -1.08 0.00 0.00 179.45 181.66 3a2w h TRP 85 N 0.79 1.10 -0.21 -1.35 7.01 -0.52 -1.37 115.95 121.40 3a2w h TRP 85 Ca 0.13 -0.21 -0.11 0.00 2.11 0.00 0.00 58.89 60.82 3a2w h TRP 85 Cb 0.61 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 27.38 3a2w h TRP 85 CO 0.04 1.01 -0.34 0.87 -2.79 0.00 0.00 178.44 177.23 3a2w h LYS 86 N 0.90 0.45 -0.66 2.65 1.57 -1.02 -1.79 116.57 118.68 3a2w h LYS 86 Ca 0.15 -0.20 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 3a2w h LYS 86 Cb 0.61 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 3a2w h LYS 86 CO 0.04 0.73 0.10 0.93 -0.57 0.00 0.00 179.45 180.68 3a2w h GLU 87 N 0.38 1.09 -0.43 3.15 5.08 -0.88 -1.40 114.58 121.57 3a2w h GLU 87 Ca 0.05 -0.30 -0.04 0.00 -1.00 0.00 0.00 59.36 58.07 3a2w h GLU 87 Cb 0.78 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 3a2w h GLU 87 CO 0.06 1.01 0.11 2.35 -1.00 0.00 0.00 179.01 181.54 3a2w h TRP 88 N 1.01 0.72 -0.05 4.33 7.01 -1.01 -1.35 115.95 126.61 3a2w h TRP 88 Ca 0.20 -0.08 0.02 0.00 2.11 0.00 0.00 58.89 61.13 3a2w h TRP 88 Cb 0.45 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.29 3a2w h TRP 88 CO 0.03 0.67 -0.05 0.82 -2.79 0.00 0.00 178.44 177.13 3a2w h ILE 89 N 0.56 0.86 -0.73 2.65 1.08 -1.05 0.13 117.51 121.01 3a2w h ILE 89 Ca 0.13 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.59 3a2w h ILE 89 Cb 0.31 0.86 -0.03 0.00 -3.07 0.00 0.00 36.82 34.89 3a2w h ILE 89 CO 0.00 0.00 0.40 -0.08 -0.69 0.00 0.00 178.15 177.78 3a2w h GLU 90 N -0.06 1.01 -0.28 2.37 4.81 -1.17 0.26 114.58 121.53 3a2w h GLU 90 Ca 0.04 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 59.06 3a2w h GLU 90 Cb 0.11 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 3a2w h GLU 90 CO -0.08 0.76 -0.15 -0.09 -0.73 0.00 0.00 179.01 178.72 3a2w h ARG 91 N 1.00 0.60 0.03 1.92 2.43 -0.96 -2.28 114.38 117.12 3a2w h ARG 91 Ca 0.26 -0.27 -0.36 0.00 -0.81 0.00 0.00 59.98 58.80 3a2w h ARG 91 Cb 0.04 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.52 3a2w h ARG 91 CO -0.04 0.84 -2.17 0.72 -1.51 0.00 0.00 179.97 177.81 3a2w n HIS 92 N -4.41 0.50 0.02 2.20 8.25 0.42 -4.41 115.22 117.80 3a2w n HIS 92 Ca -0.03 0.14 0.02 0.00 -0.26 0.00 0.00 57.72 57.59 3a2w n HIS 92 Cb 0.37 -1.08 -0.09 0.00 1.12 0.00 0.00 29.99 30.31 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 -3.11 0.94 -1.16 1.59 2.08 0.89 -4.91 119.36 115.68 3a2w n ILE 93 Ca -0.32 -0.66 0.00 0.00 0.56 0.00 0.00 62.75 62.33 3a2w n ILE 93 Cb 1.07 -0.53 0.00 0.00 -0.75 0.00 0.00 39.64 39.43 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 1.38 0.48 2.99 7.39 0.00 -0.86 -4.95 105.19 111.63 3a2w n GLY 94 Ca -0.10 -0.92 -0.27 0.00 0.00 0.00 0.00 46.02 44.73 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 1.22 -0.04 1.61 1.01 -1.24 -4.98 120.40 115.99 3a2w s VAL 95 Ca 0.00 -0.47 -0.20 0.00 0.00 0.00 0.00 61.98 61.31 3a2w s VAL 95 Cb 0.00 -1.16 -0.05 0.00 0.00 0.00 0.00 36.38 35.18 3a2w s VAL 95 CO 0.00 0.39 0.57 -0.60 0.00 0.00 0.00 175.10 175.46 3a2w s ARG 96 N 1.14 4.32 -0.49 2.72 3.52 -1.26 -3.03 118.95 125.86 3a2w s ARG 96 Ca -0.05 0.66 -0.24 0.00 -0.13 0.00 0.00 55.73 55.97 3a2w s ARG 96 Cb -0.14 -3.37 0.03 0.00 -1.56 0.00 0.00 34.95 29.91 3a2w s ARG 96 CO -0.02 0.30 0.89 0.42 -0.81 0.00 0.00 175.30 176.07 3a2w s ILE 97 N 0.08 4.50 -0.26 4.11 -1.09 -1.26 -4.92 121.20 122.36 3a2w s ILE 97 Ca 0.30 0.47 0.21 0.00 -2.23 0.00 0.00 60.65 59.40 3a2w s ILE 97 Cb -0.17 -4.44 0.24 0.00 -1.58 0.00 0.00 42.46 36.51 3a2w s ILE 97 CO 0.15 -0.90 1.60 1.55 -1.23 0.00 0.00 174.94 176.11 3a2w h PRO 98 N 9.14 0.00 -6.58 2.79 0.13 -1.96 -3.47 132.00 132.05 3a2w h PRO 98 Ca -0.25 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.42 3a2w h PRO 98 Cb 1.08 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.23 3a2w h PRO 98 CO 1.03 0.19 -0.16 -0.59 -0.23 0.00 0.00 178.00 178.23 3a2w s PHE 99 N -3.19 3.33 0.52 1.56 -0.12 -1.26 -5.09 117.98 113.72 3a2w s PHE 99 Ca 0.05 0.23 -0.15 0.00 -0.05 0.00 0.00 56.93 57.02 3a2w s PHE 99 Cb 0.07 -2.10 -0.07 0.00 -0.63 0.00 0.00 43.02 40.28 3a2w s PHE 99 CO 0.68 -0.12 0.97 -1.25 -0.05 0.00 0.00 175.22 175.45 3a2w s PRO 100 N -4.41 3.86 -0.08 1.99 0.04 -1.26 -4.93 135.00 130.20 3a2w s PRO 100 Ca 0.44 0.85 0.02 0.00 0.04 0.00 0.00 61.00 62.35 3a2w s PRO 100 Cb -0.10 -2.16 0.02 0.00 0.04 0.00 0.00 34.50 32.30 3a2w s PRO 100 CO 0.36 -0.30 -0.12 0.42 0.04 0.00 0.00 177.00 177.41 3a2w s ILE 101 N -2.69 1.19 0.25 0.56 1.01 -1.26 -1.50 121.20 118.75 3a2w s ILE 101 Ca 0.57 -0.48 -0.30 0.00 0.00 0.00 0.00 60.65 60.45 3a2w s ILE 101 Cb -0.10 -1.10 -0.09 0.00 0.01 0.00 0.00 42.46 41.17 3a2w s ILE 101 CO 0.35 0.37 1.12 -0.63 0.00 0.00 0.00 174.94 176.15 3a2w s ILE 102 N 0.90 3.53 -0.33 2.92 1.01 0.55 -1.83 121.20 127.95 3a2w s ILE 102 Ca -0.10 1.47 -0.11 0.00 0.00 0.00 0.00 60.65 61.91 3a2w s ILE 102 Cb -0.15 -3.94 -0.01 0.00 0.01 0.00 0.00 42.46 38.37 3a2w s ILE 102 CO 0.01 0.32 0.20 0.00 0.00 0.00 0.00 174.94 175.47 3a2w s ALA 103 N -0.88 3.39 -0.48 9.38 0.00 0.10 -2.63 121.76 130.64 3a2w s ALA 103 Ca 0.46 -1.42 0.05 0.00 0.00 0.00 0.00 51.96 51.06 3a2w s ALA 103 Cb -0.32 -2.54 0.40 0.00 0.00 0.00 0.00 23.12 20.66 3a2w s ALA 103 CO 0.40 -0.98 1.06 -3.47 0.00 0.00 0.00 175.76 172.76 3a2w n ASP 104 N 5.04 4.56 -4.74 0.00 2.03 0.03 -4.63 116.55 118.84 3a2w n ASP 104 Ca -0.13 -3.69 -0.34 0.00 0.52 0.00 0.00 54.79 51.15 3a2w n ASP 104 Cb 0.49 -0.49 0.07 0.00 -0.72 0.00 0.00 41.12 40.46 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 -3.51 2.51 0.00 -0.67 0.04 -1.07 -1.17 135.00 131.13 3a2w s PRO 105 Ca 0.48 1.62 0.00 0.00 0.04 0.00 0.00 61.00 63.14 3a2w s PRO 105 Cb 0.36 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 33.01 3a2w s PRO 105 CO -0.17 -1.52 0.00 1.04 0.04 0.00 0.00 177.00 176.39 3a2w n GLN 106 N -2.45 0.00 -3.52 4.56 1.13 -1.26 -4.32 117.38 111.53 3a2w n GLN 106 Ca 0.12 0.00 -0.26 0.00 -1.94 0.00 0.00 57.00 54.92 3a2w n GLN 106 Cb 0.51 -1.41 0.00 0.00 0.11 0.00 0.00 30.24 29.45 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 -2.00 -0.49 0.16 1.08 0.00 -0.32 -4.89 105.19 98.74 3a2w n GLY 107 Ca 0.00 0.11 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.22 1.23 -0.29 2.61 2.02 -1.78 -1.37 112.91 114.11 3a2w h THR 108 Ca -0.48 -0.77 -0.07 0.00 0.77 0.00 0.00 66.41 65.86 3a2w h THR 108 Cb 1.32 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.92 3a2w h THR 108 CO 0.58 0.25 -0.09 0.58 0.37 0.00 0.00 175.52 177.22 3a2w h VAL 109 N 0.27 1.29 -1.00 3.16 2.07 -1.90 -2.76 116.25 117.39 3a2w h VAL 109 Ca 0.08 -1.14 0.17 0.00 0.82 0.00 0.00 66.70 66.64 3a2w h VAL 109 Cb 0.33 1.43 -0.10 0.00 -1.52 0.00 0.00 31.29 31.43 3a2w h VAL 109 CO 0.00 0.36 0.62 0.00 0.02 0.00 0.00 177.57 178.57 3a2w h ALA 110 N 0.77 1.65 0.34 1.67 0.00 -1.88 -1.47 119.26 120.35 3a2w h ALA 110 Ca 0.07 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3a2w h ALA 110 Cb 0.58 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3a2w h ALA 110 CO 0.03 0.01 -0.16 -0.09 0.00 0.00 0.00 179.25 179.04 3a2w h ARG 111 N 0.82 -0.44 -0.98 0.00 2.43 -1.09 0.15 114.38 115.26 3a2w h ARG 111 Ca 0.55 0.03 0.21 0.00 -0.81 0.00 0.00 59.98 59.96 3a2w h ARG 111 Cb 0.80 0.10 -0.11 0.00 -0.42 0.00 0.00 29.97 30.34 3a2w h ARG 111 CO -0.34 -0.12 0.58 -0.09 -1.51 0.00 0.00 179.97 178.48 3a2w h ARG 112 N -0.85 0.65 -0.36 0.20 9.65 -1.16 0.79 114.38 123.30 3a2w h ARG 112 Ca -0.05 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 3a2w h ARG 112 Cb 0.53 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 28.96 3a2w h ARG 112 CO 0.08 0.43 0.00 1.28 2.80 0.00 0.00 179.97 184.56 3a2w n LEU 113 N -4.83 2.24 -3.81 3.80 4.77 -0.59 -4.17 117.00 114.41 3a2w n LEU 113 Ca 0.24 -1.06 -0.26 0.00 -0.03 0.00 0.00 56.01 54.90 3a2w n LEU 113 Cb 0.62 -0.24 0.03 0.00 -2.33 0.00 0.00 43.42 41.50 3a2w n LEU 113 CO 0.19 0.53 0.03 0.61 -1.33 0.00 0.00 177.39 177.42 3a2w n GLY 114 N 1.20 -0.40 0.37 -0.72 0.00 0.27 -4.67 105.19 101.24 3a2w n GLY 114 Ca 0.15 0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.46 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 -4.50 1.44 -4.43 0.99 4.77 0.43 -4.79 117.00 110.92 3a2w n LEU 115 Ca -0.12 -0.45 -0.42 0.00 -0.03 0.00 0.00 56.01 54.98 3a2w n LEU 115 Cb 0.60 -0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 41.52 3a2w n LEU 115 CO 0.72 0.26 -0.11 -0.76 -1.33 0.00 0.00 177.39 176.18 3a2w s LEU 116 N -2.40 4.96 0.00 2.23 1.43 -1.26 -0.81 118.68 122.82 3a2w s LEU 116 Ca 0.25 -0.94 0.05 0.00 -1.03 0.00 0.00 54.13 52.45 3a2w s LEU 116 Cb 0.19 -2.11 0.05 0.00 0.03 0.00 0.00 46.19 44.35 3a2w s LEU 116 CO 0.50 -0.43 0.38 1.41 0.23 0.00 0.00 176.35 178.44 3a2w n HIS 117 N 5.09 -1.10 0.22 0.29 8.25 -1.25 -5.00 115.22 121.72 3a2w n HIS 117 Ca -0.11 -1.80 0.18 0.00 -0.26 0.00 0.00 57.72 55.72 3a2w n HIS 117 Cb 0.47 -0.37 0.85 0.00 1.12 0.00 0.00 29.99 32.06 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 1.71 0.75 -1.41 0.00 -1.97 -2.91 119.26 116.03 3a2w h ALA 118 Ca -0.26 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 3a2w h ALA 118 Cb 1.00 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 3a2w h ALA 118 CO 0.41 -0.31 -0.45 0.93 0.00 0.00 0.00 179.25 179.83 3a2w h GLU 119 N 0.00 -1.08 -5.62 0.00 5.08 -1.97 -3.44 114.58 107.56 3a2w h GLU 119 Ca 0.08 0.07 -0.53 0.00 -1.00 0.00 0.00 59.36 57.98 3a2w h GLU 119 Cb 0.52 0.24 -0.28 0.00 0.50 0.00 0.00 28.75 29.73 3a2w h GLU 119 CO -0.00 -0.72 -0.83 0.45 -1.00 0.00 0.00 179.01 176.91 3a2w s SER 120 N -3.92 2.00 0.05 1.42 0.15 -1.10 -5.01 113.70 107.29 3a2w s SER 120 Ca -0.17 -0.34 0.24 0.00 0.70 0.00 0.00 55.95 56.37 3a2w s SER 120 Cb 0.03 -0.21 0.31 0.00 -1.71 0.00 0.00 66.02 64.44 3a2w s SER 120 CO 0.54 0.18 1.26 0.00 1.20 0.00 0.00 173.24 176.43 3a2w n ALA 121 N 2.50 3.35 -0.06 5.45 0.00 -1.26 -3.94 120.51 126.55 3a2w n ALA 121 Ca -0.15 -0.34 -0.06 0.00 0.00 0.00 0.00 53.44 52.89 3a2w n ALA 121 Cb 0.54 -1.09 -0.09 0.00 0.00 0.00 0.00 19.45 18.81 3a2w n ALA 121 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3a2w n THR 122 N -1.82 0.80 -4.85 0.00 5.66 -1.26 -5.02 114.28 107.78 3a2w n THR 122 Ca 0.04 -0.49 -0.30 0.00 -3.05 0.00 0.00 64.05 60.25 3a2w n THR 122 Cb 0.40 -0.71 -0.14 0.00 -1.55 0.00 0.00 70.33 68.32 3a2w n THR 122 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 3a2w s HIS 123 N -2.28 2.33 0.74 1.09 4.02 -1.26 -4.90 115.29 115.02 3a2w s HIS 123 Ca -0.06 -0.41 -0.11 0.00 1.02 0.00 0.00 55.06 55.50 3a2w s HIS 123 Cb 0.04 -1.38 0.04 0.00 -1.02 0.00 0.00 32.58 30.25 3a2w s HIS 123 CO 0.47 0.15 1.08 0.95 1.02 0.00 0.00 174.74 178.41 3a2w s THR 124 N -0.83 3.59 0.20 1.30 -4.23 -1.26 -4.61 115.64 109.80 3a2w s THR 124 Ca 0.12 0.52 -0.02 0.00 -1.18 0.00 0.00 61.69 61.13 3a2w s THR 124 Cb -0.10 -3.11 0.04 0.00 1.34 0.00 0.00 72.50 70.67 3a2w s THR 124 CO 0.02 -0.68 0.27 1.33 -0.54 0.00 0.00 174.62 175.03 3a2w n VAL 125 N -3.37 0.00 -2.99 2.29 0.24 0.01 -3.09 118.33 111.42 3a2w n VAL 125 Ca 0.08 -0.28 -0.44 0.00 -2.04 0.00 0.00 64.34 61.66 3a2w n VAL 125 Cb 0.53 -1.62 -0.01 0.00 -1.47 0.00 0.00 33.84 31.27 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 -3.38 3.90 0.33 7.34 0.52 -0.12 -3.98 118.95 123.56 3a2w s ARG 126 Ca 0.16 -2.34 -0.03 0.00 -0.52 0.00 0.00 55.73 53.01 3a2w s ARG 126 Cb -0.01 -4.94 -0.04 0.00 0.52 0.00 0.00 34.95 30.48 3a2w s ARG 126 CO 0.11 -1.70 0.57 0.20 0.02 0.00 0.00 175.30 174.50 3a2w s GLY 127 N 2.96 1.60 -0.07 -3.53 0.00 -1.24 -1.06 107.32 105.98 3a2w s GLY 127 Ca 0.37 -0.71 -0.03 0.00 0.00 0.00 0.00 44.72 44.35 3a2w s GLY 127 CO -0.04 -0.62 0.15 0.14 0.00 0.00 0.00 173.10 172.73 3a2w s VAL 128 N -2.24 -0.17 -0.17 1.40 1.01 -0.06 -1.22 120.40 118.95 3a2w s VAL 128 Ca 0.42 0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.70 3a2w s VAL 128 Cb -0.10 -0.26 0.02 0.00 0.00 0.00 0.00 36.38 36.03 3a2w s VAL 128 CO 0.34 0.12 -0.20 -0.36 0.00 0.00 0.00 175.10 175.00 3a2w s PHE 129 N 1.80 2.68 -0.32 5.22 0.40 0.56 -1.33 117.98 126.99 3a2w s PHE 129 Ca -0.02 -1.52 -0.10 0.00 -0.60 0.00 0.00 56.93 54.69 3a2w s PHE 129 Cb -0.12 -1.85 -0.01 0.00 0.51 0.00 0.00 43.02 41.55 3a2w s PHE 129 CO -0.06 -0.74 0.17 0.42 0.70 0.00 0.00 175.22 175.71 3a2w s ILE 130 N 1.18 4.71 -0.04 0.64 1.01 -0.57 -1.61 121.20 126.52 3a2w s ILE 130 Ca 0.02 -0.39 0.05 0.00 0.00 0.00 0.00 60.65 60.33 3a2w s ILE 130 Cb -0.14 -3.41 -0.02 0.00 0.01 0.00 0.00 42.46 38.91 3a2w s ILE 130 CO -0.10 0.06 -0.20 -0.69 0.00 0.00 0.00 174.94 174.00 3a2w s VAL 131 N 1.63 2.51 0.77 2.92 1.01 -0.76 -0.10 120.40 128.39 3a2w s VAL 131 Ca 0.05 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 61.07 3a2w s VAL 131 Cb -0.17 -1.94 0.14 0.00 0.00 0.00 0.00 36.38 34.41 3a2w s VAL 131 CO 0.07 0.58 1.06 1.51 0.00 0.00 0.00 175.10 178.32 3a2w s ASP 132 N -0.52 4.10 0.00 3.32 1.47 -0.78 -1.19 116.67 123.07 3a2w s ASP 132 Ca 0.07 -0.28 0.07 0.00 1.18 0.00 0.00 52.55 53.59 3a2w s ASP 132 Cb -0.11 -0.02 0.40 0.00 -0.34 0.00 0.00 42.92 42.84 3a2w s ASP 132 CO 0.01 -2.04 0.95 0.00 0.68 0.00 0.00 175.17 174.77 3a2w n ALA 133 N -3.01 1.68 0.58 2.11 0.00 -1.25 -0.30 120.51 120.31 3a2w n ALA 133 Ca 0.15 -0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.64 3a2w n ALA 133 Cb 0.60 -1.11 0.10 0.00 0.00 0.00 0.00 19.45 19.04 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 -1.10 1.63 -1.03 0.00 1.74 -1.26 -4.61 116.66 112.04 3a2w n ARG 134 Ca 0.05 -1.67 -0.01 0.00 -0.77 0.00 0.00 57.85 55.45 3a2w n ARG 134 Cb 0.04 -1.35 -0.00 0.00 -1.02 0.00 0.00 32.46 30.12 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 1.00 0.47 3.78 -0.13 0.00 0.59 -4.94 105.19 105.96 3a2w n GLY 135 Ca 0.11 -0.73 -0.36 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.01 5.44 -0.01 1.61 1.01 -1.26 0.52 120.40 125.69 3a2w s VAL 136 Ca 0.00 0.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.87 3a2w s VAL 136 Cb 0.00 -3.45 -0.06 0.00 0.00 0.00 0.00 36.38 32.88 3a2w s VAL 136 CO 0.00 0.50 1.54 -0.63 0.00 0.00 0.00 175.10 176.51 3a2w s ILE 137 N -0.09 3.54 -0.07 2.22 1.01 -0.01 -1.86 121.20 125.93 3a2w s ILE 137 Ca 0.10 0.84 0.13 0.00 0.00 0.00 0.00 60.65 61.73 3a2w s ILE 137 Cb -0.11 -3.54 -0.20 0.00 0.01 0.00 0.00 42.46 38.62 3a2w s ILE 137 CO -0.00 -0.03 0.20 0.54 0.00 0.00 0.00 174.94 175.64 3a2w n ARG 138 N 6.12 1.05 -3.52 2.79 5.12 0.86 -0.64 116.66 128.43 3a2w n ARG 138 Ca 0.15 -0.08 -0.16 0.00 -1.93 0.00 0.00 57.85 55.84 3a2w n ARG 138 Cb 0.43 -1.34 -0.05 0.00 -1.16 0.00 0.00 32.46 30.33 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 -2.70 0.00 -0.03 0.55 2.01 -1.18 -4.91 115.64 109.38 3a2w s THR 139 Ca -0.06 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 61.93 3a2w s THR 139 Cb 0.07 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.60 3a2w s THR 139 CO 0.57 0.00 0.06 -0.04 -0.69 0.00 0.00 174.62 174.53 3a2w s MET 140 N -1.43 0.03 -0.02 4.92 -1.94 -1.26 -1.51 119.30 118.10 3a2w s MET 140 Ca -0.08 0.18 0.03 0.00 -1.71 0.00 0.00 55.69 54.11 3a2w s MET 140 Cb -0.00 -0.12 -0.00 0.00 2.01 0.00 0.00 34.83 36.72 3a2w s MET 140 CO 0.06 -0.10 -0.11 -0.51 -0.01 0.00 0.00 175.02 174.35 3a2w s LEU 141 N 0.66 1.92 -0.31 -0.03 1.43 -0.45 -4.98 118.68 116.93 3a2w s LEU 141 Ca -0.05 -0.21 0.03 0.00 -1.03 0.00 0.00 54.13 52.86 3a2w s LEU 141 Cb -0.07 -0.61 0.09 0.00 0.03 0.00 0.00 46.19 45.63 3a2w s LEU 141 CO -0.02 0.11 0.02 -0.31 0.23 0.00 0.00 176.35 176.38 3a2w s TYR 142 N -0.06 3.14 0.04 0.29 1.51 -1.26 -0.89 117.35 120.13 3a2w s TYR 142 Ca 0.01 -2.51 -0.01 0.00 -1.01 0.00 0.00 57.07 53.55 3a2w s TYR 142 Cb -0.07 -2.37 -0.04 0.00 -0.11 0.00 0.00 41.96 39.37 3a2w s TYR 142 CO 0.00 -0.90 0.21 0.71 -1.11 0.00 0.00 175.55 174.46 3a2w s TYR 143 N 1.12 3.53 0.76 2.71 1.51 -0.23 -4.98 117.35 121.77 3a2w s TYR 143 Ca 0.05 0.30 -0.09 0.00 -1.01 0.00 0.00 57.07 56.33 3a2w s TYR 143 Cb -0.19 -1.80 0.08 0.00 -0.11 0.00 0.00 41.96 39.95 3a2w s TYR 143 CO -0.10 0.60 1.09 -1.25 -1.11 0.00 0.00 175.55 174.78 3a2w s PRO 144 N -2.33 1.94 0.26 -1.71 0.04 -1.26 -0.94 135.00 130.99 3a2w s PRO 144 Ca 0.33 -0.23 -0.03 0.00 0.04 0.00 0.00 61.00 61.11 3a2w s PRO 144 Cb -0.13 -2.09 0.45 0.00 0.04 0.00 0.00 34.50 32.78 3a2w s PRO 144 CO 0.25 -1.47 1.81 0.52 0.04 0.00 0.00 177.00 178.15 3a2w h MET 145 N -0.82 0.78 -0.01 4.56 2.86 -1.95 -2.47 114.93 117.87 3a2w h MET 145 Ca -0.44 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 3a2w h MET 145 Cb 1.31 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.79 3a2w h MET 145 CO 0.58 0.51 0.00 -0.85 1.06 0.00 0.00 176.91 178.22 3a2w n GLU 146 N -4.74 1.07 -3.91 1.72 0.00 -1.26 -4.77 120.64 108.75 3a2w n GLU 146 Ca 0.15 -0.10 -0.27 0.00 0.00 0.00 0.00 57.16 56.94 3a2w n GLU 146 Cb 0.32 -1.41 -0.17 0.00 0.00 0.00 0.00 31.44 30.18 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 -1.81 1.30 0.33 -1.84 0.20 -0.93 -5.12 118.68 110.81 3a2w s LEU 147 Ca 0.39 -0.39 -0.26 0.00 0.69 0.00 0.00 54.13 54.56 3a2w s LEU 147 Cb 0.18 -0.88 -0.09 0.00 -0.43 0.00 0.00 46.19 44.97 3a2w s LEU 147 CO 0.30 -0.13 1.01 -0.83 -0.29 0.00 0.00 176.35 176.41 3a2w s GLY 148 N 1.68 2.85 0.95 7.98 0.00 -1.26 -4.48 107.32 115.05 3a2w s GLY 148 Ca 0.04 0.66 -0.12 0.00 0.00 0.00 0.00 44.72 45.30 3a2w s GLY 148 CO -0.08 1.13 1.10 0.50 0.00 0.00 0.00 173.10 175.75 3a2w s ARG 149 N -2.02 0.80 -0.62 2.90 0.52 -1.26 -5.00 118.95 114.28 3a2w s ARG 149 Ca 0.51 0.59 -0.08 0.00 -0.52 0.00 0.00 55.73 56.22 3a2w s ARG 149 Cb -0.23 -1.78 0.16 0.00 0.52 0.00 0.00 34.95 33.63 3a2w s ARG 149 CO 0.29 -2.49 0.49 -1.17 0.02 0.00 0.00 175.30 172.43 3a2w s LEU 150 N -6.32 5.83 0.40 2.53 2.96 -1.26 -4.97 118.68 117.85 3a2w s LEU 150 Ca 0.64 -2.43 0.13 0.00 -0.22 0.00 0.00 54.13 52.25 3a2w s LEU 150 Cb -0.18 -2.01 0.98 0.00 0.50 0.00 0.00 46.19 45.48 3a2w s LEU 150 CO 0.57 -0.55 1.91 0.58 -1.32 0.00 0.00 176.35 177.53 3a2w h VAL 151 N 5.49 0.81 0.00 1.68 2.07 -1.96 -1.64 116.25 122.70 3a2w h VAL 151 Ca -0.06 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 3a2w h VAL 151 Cb 1.02 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 3a2w h VAL 151 CO 0.78 0.09 -0.08 0.44 0.02 0.00 0.00 177.57 178.82 3a2w h ASP 152 N 0.51 0.00 0.00 0.57 3.32 -1.93 -1.25 116.42 117.63 3a2w h ASP 152 Ca 0.39 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.31 3a2w h ASP 152 Cb 0.80 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.34 3a2w h ASP 152 CO -0.14 0.08 -0.42 -0.08 -1.72 0.00 0.00 179.24 176.96 3a2w h GLU 153 N 0.00 0.52 -0.20 3.56 4.57 -1.66 -1.44 114.58 119.93 3a2w h GLU 153 Ca -0.00 -0.27 -0.04 0.00 -1.18 0.00 0.00 59.36 57.87 3a2w h GLU 153 Cb 0.18 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 3a2w h GLU 153 CO 0.01 0.85 -0.05 0.82 -1.18 0.00 0.00 179.01 179.46 3a2w h ILE 154 N 0.43 1.16 -0.23 2.32 2.04 -1.29 -0.81 117.51 121.11 3a2w h ILE 154 Ca 0.03 -0.65 -0.18 0.00 1.00 0.00 0.00 64.86 65.06 3a2w h ILE 154 Cb 0.91 1.06 -0.00 0.00 -0.74 0.00 0.00 36.82 38.05 3a2w h ILE 154 CO 0.08 0.21 -0.58 -0.07 0.00 0.00 0.00 178.15 177.79 3a2w h LEU 155 N 0.30 0.84 -0.75 1.44 3.38 -1.09 -2.76 115.31 116.67 3a2w h LEU 155 Ca 0.07 -0.46 -0.03 0.00 0.09 0.00 0.00 57.88 57.54 3a2w h LEU 155 Cb 0.28 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3a2w h LEU 155 CO 0.01 1.23 0.34 -0.09 0.09 0.00 0.00 178.44 180.02 3a2w h ARG 156 N 0.56 1.09 0.39 1.13 2.43 -0.63 -1.40 114.38 117.96 3a2w h ARG 156 Ca 0.00 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 58.98 3a2w h ARG 156 Cb 1.17 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 3a2w h ARG 156 CO 0.12 0.87 -0.19 0.82 -1.51 0.00 0.00 179.97 180.08 3a2w h ILE 157 N 1.06 0.62 -0.64 1.20 2.04 -1.07 0.57 117.51 121.29 3a2w h ILE 157 Ca 0.25 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.88 3a2w h ILE 157 Cb 0.15 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 3a2w h ILE 157 CO -0.03 0.04 0.28 -0.37 0.00 0.00 0.00 178.15 178.07 3a2w h VAL 158 N -0.64 1.21 -0.02 1.67 -1.51 -1.45 -0.13 116.25 115.39 3a2w h VAL 158 Ca -0.05 -0.64 -0.00 0.00 -1.23 0.00 0.00 66.70 64.78 3a2w h VAL 158 Cb 0.47 0.42 -0.00 0.00 -2.13 0.00 0.00 31.29 30.05 3a2w h VAL 158 CO 0.09 0.26 0.01 0.50 -1.23 0.00 0.00 177.57 177.20 3a2w h LYS 159 N 0.91 0.02 -0.37 5.19 3.11 -1.12 -1.54 116.57 122.77 3a2w h LYS 159 Ca 0.22 -0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 57.99 3a2w h LYS 159 Cb 0.13 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.34 3a2w h LYS 159 CO -0.02 0.05 -0.04 0.00 -2.81 0.00 0.00 179.45 176.63 3a2w h ALA 160 N 0.97 0.50 -0.79 5.00 0.00 -0.52 -2.36 119.26 122.07 3a2w h ALA 160 Ca 0.01 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 3a2w h ALA 160 Cb 0.03 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3a2w h ALA 160 CO -0.00 0.30 0.35 -0.07 0.00 0.00 0.00 179.25 179.84 3a2w h LEU 161 N 0.48 1.06 -0.61 0.00 3.38 -0.99 -0.46 115.31 118.16 3a2w h LEU 161 Ca 0.10 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 3a2w h LEU 161 Cb 0.52 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3a2w h LEU 161 CO 0.03 0.92 0.18 0.11 0.09 0.00 0.00 178.44 179.77 3a2w h LYS 162 N 1.13 0.96 -0.20 1.13 1.57 -1.23 -1.23 116.57 118.70 3a2w h LYS 162 Ca 0.27 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 3a2w h LYS 162 Cb 0.16 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3a2w h LYS 162 CO -0.03 0.86 0.07 -0.07 -0.57 0.00 0.00 179.45 179.71 3a2w h LEU 163 N 0.88 0.29 -0.92 2.94 3.38 -1.09 -1.35 115.31 119.44 3a2w h LEU 163 Ca 0.20 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 58.01 3a2w h LEU 163 Cb 0.31 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 3a2w h LEU 163 CO -0.00 0.41 0.60 1.23 0.09 0.00 0.00 178.44 180.76 3a2w h GLY 164 N 0.16 1.36 0.99 0.83 0.00 -0.88 0.62 103.07 106.15 3a2w h GLY 164 Ca 0.07 -0.45 -0.09 0.00 0.00 0.00 0.00 47.33 46.86 3a2w h GLY 164 CO -0.00 0.37 -0.07 -0.55 0.00 0.00 0.00 176.54 176.28 3a2w h ASP 165 N 1.14 0.80 -0.11 0.19 3.32 -1.09 0.41 116.42 121.08 3a2w h ASP 165 Ca 0.37 -0.35 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 3a2w h ASP 165 Cb 0.04 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.37 3a2w h ASP 165 CO -0.13 0.96 -0.15 -1.28 -1.72 0.00 0.00 179.24 176.92 3a2w h SER 166 N 0.62 0.32 0.16 6.45 0.87 -0.55 -3.22 113.55 118.19 3a2w h SER 166 Ca 0.11 -0.52 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 3a2w h SER 166 Cb 0.59 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 3a2w h SER 166 CO 0.04 0.78 -0.11 0.18 -0.53 0.00 0.00 176.83 177.18 3a2w n LEU 167 N -4.58 0.97 -3.47 2.23 7.99 0.21 -4.95 117.00 115.40 3a2w n LEU 167 Ca -0.07 -0.26 -0.20 0.00 -0.01 0.00 0.00 56.01 55.47 3a2w n LEU 167 Cb 0.37 -0.08 0.06 0.00 -0.11 0.00 0.00 43.42 43.66 3a2w n LEU 167 CO 0.39 0.17 0.01 0.29 -1.51 0.00 0.00 177.39 176.74 3a2w n LYS 168 N -0.46 -3.81 -4.04 3.23 4.01 0.13 -5.01 118.16 112.22 3a2w n LYS 168 Ca 0.16 0.74 -0.08 0.00 -0.51 0.00 0.00 58.31 58.62 3a2w n LYS 168 Cb 0.31 -5.42 -0.10 0.00 -0.51 0.00 0.00 35.03 29.32 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 -5.26 0.60 0.14 1.97 1.81 -0.33 -4.65 118.95 113.23 3a2w s ARG 169 Ca 0.24 -1.09 -0.02 0.00 -1.72 0.00 0.00 55.73 53.14 3a2w s ARG 169 Cb -0.05 0.22 -0.05 0.00 -0.45 0.00 0.00 34.95 34.62 3a2w s ARG 169 CO 0.77 -0.13 0.33 0.00 -0.68 0.00 0.00 175.30 175.60 3a2w s ALA 170 N -3.55 3.87 -0.24 2.13 0.00 0.12 -4.35 121.76 119.75 3a2w s ALA 170 Ca 0.03 -0.76 -0.08 0.00 0.00 0.00 0.00 51.96 51.15 3a2w s ALA 170 Cb 0.05 -1.98 -0.04 0.00 0.00 0.00 0.00 23.12 21.15 3a2w s ALA 170 CO -0.09 0.62 0.10 0.08 0.00 0.00 0.00 175.76 176.48 3a2w s VAL 171 N -1.70 4.71 0.88 0.00 1.01 -1.26 -1.08 120.40 122.97 3a2w s VAL 171 Ca 0.38 -0.04 -0.11 0.00 0.00 0.00 0.00 61.98 62.21 3a2w s VAL 171 Cb -0.12 -3.20 0.12 0.00 0.00 0.00 0.00 36.38 33.19 3a2w s VAL 171 CO 0.27 0.34 1.09 -2.16 0.00 0.00 0.00 175.10 174.65 3a2w s PRO 172 N 1.35 1.35 0.36 2.72 0.04 -1.26 -4.96 135.00 134.60 3a2w s PRO 172 Ca 0.06 1.00 -0.28 0.00 0.04 0.00 0.00 61.00 61.82 3a2w s PRO 172 Cb -0.15 -1.80 -0.11 0.00 0.04 0.00 0.00 34.50 32.48 3a2w s PRO 172 CO 0.05 -2.23 1.50 0.00 0.04 0.00 0.00 177.00 176.36 3a2w s ALA 173 N -2.86 3.60 -0.62 8.56 0.00 -1.26 -2.72 121.76 126.46 3a2w s ALA 173 Ca 0.64 1.57 0.00 0.00 0.00 0.00 0.00 51.96 54.16 3a2w s ALA 173 Cb -0.19 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.32 3a2w s ALA 173 CO 0.57 -1.04 0.00 -0.25 0.00 0.00 0.00 175.76 175.04 3a2w n ASP 174 N 0.72 -4.87 -4.67 0.00 8.00 -1.26 -4.09 116.55 110.38 3a2w n ASP 174 Ca 0.02 0.14 -0.41 0.00 0.71 0.00 0.00 54.79 55.26 3a2w n ASP 174 Cb 0.39 -2.89 0.02 0.00 -0.02 0.00 0.00 41.12 38.62 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 -2.44 1.70 0.29 1.24 -0.00 -1.10 -0.59 117.44 116.54 3a2w n TRP 175 Ca -0.06 0.51 -0.02 0.00 -0.00 0.00 0.00 57.50 57.93 3a2w n TRP 175 Cb 0.39 -2.30 0.11 0.00 -0.00 0.00 0.00 31.31 29.50 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 -0.13 1.99 -2.41 5.87 -0.04 -1.26 -4.91 135.00 134.11 3a2w n PRO 176 Ca 0.09 -1.08 -0.22 0.00 -0.04 0.00 0.00 63.50 62.25 3a2w n PRO 176 Cb 0.41 -1.62 0.01 0.00 -0.04 0.00 0.00 33.50 32.26 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 0.10 4.10 -4.74 3.54 3.02 0.24 -3.35 115.26 118.18 3a2w n ASN 177 Ca 0.14 -3.47 -0.41 0.00 -0.03 0.00 0.00 54.58 50.80 3a2w n ASN 177 Cb 0.71 -0.44 -0.03 0.00 -0.61 0.00 0.00 39.78 39.42 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 -3.52 6.77 0.60 6.41 3.84 -0.40 -4.87 114.94 123.76 3a2w s ASN 178 Ca 0.44 2.52 0.34 0.00 0.21 0.00 0.00 52.86 56.37 3a2w s ASN 178 Cb 0.41 -2.61 1.89 0.00 -0.55 0.00 0.00 41.25 40.39 3a2w s ASN 178 CO -0.09 -0.62 2.24 -0.33 -2.79 0.00 0.00 177.10 175.51 3a2w h GLU 179 N 5.41 0.00 0.00 0.43 3.07 -1.87 0.11 114.58 121.73 3a2w h GLU 179 Ca -0.45 0.00 -0.36 0.00 -0.50 0.00 0.00 59.36 58.05 3a2w h GLU 179 Cb 1.21 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 29.07 3a2w h GLU 179 CO 0.79 0.03 -1.97 -0.89 -1.40 0.00 0.00 179.01 175.57 3a2w n ILE 180 N -3.56 1.53 -0.58 3.13 5.41 -1.26 -4.69 119.36 119.34 3a2w n ILE 180 Ca -0.03 -0.22 0.06 0.00 1.00 0.00 0.00 62.75 63.56 3a2w n ILE 180 Cb 0.12 -1.96 0.09 0.00 -0.71 0.00 0.00 39.64 37.19 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 -4.33 1.50 0.00 1.39 -5.35 -1.24 -5.08 119.36 106.26 3a2w n ILE 181 Ca -0.45 -1.65 0.00 0.00 -0.27 0.00 0.00 62.75 60.38 3a2w n ILE 181 Cb 0.79 0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.80 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 -0.88 1.66 1.38 3.28 0.00 0.38 -0.35 105.19 110.66 3a2w n GLY 182 Ca 0.10 0.40 0.12 0.00 0.00 0.00 0.00 46.02 46.64 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 1.47 2.75 -0.79 1.61 0.28 -1.21 -1.28 120.64 123.46 3a2w n GLU 183 Ca 0.00 -2.69 -0.31 0.00 -0.16 0.00 0.00 57.16 54.00 3a2w n GLU 183 Cb 0.00 -1.58 0.16 0.00 1.43 0.00 0.00 31.44 31.44 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 -1.00 1.68 0.01 -1.84 0.00 0.52 -4.85 107.32 101.84 3a2w s GLY 184 Ca 0.50 0.51 0.06 0.00 0.00 0.00 0.00 44.72 45.79 3a2w s GLY 184 CO 0.34 0.92 -0.19 1.08 0.00 0.00 0.00 173.10 175.25 3a2w s LEU 185 N -6.51 2.10 -0.03 0.66 1.43 0.04 -4.63 118.68 111.74 3a2w s LEU 185 Ca 0.66 -0.42 -0.24 0.00 -1.03 0.00 0.00 54.13 53.10 3a2w s LEU 185 Cb -0.22 -0.92 -0.04 0.00 0.03 0.00 0.00 46.19 45.04 3a2w s LEU 185 CO 0.58 0.18 0.74 -0.63 0.23 0.00 0.00 176.35 177.45 3a2w s ILE 186 N -0.62 4.95 0.01 -0.59 1.01 -0.24 -2.12 121.20 123.61 3a2w s ILE 186 Ca 0.07 1.54 -0.30 0.00 0.00 0.00 0.00 60.65 61.96 3a2w s ILE 186 Cb -0.08 -4.08 -0.03 0.00 0.01 0.00 0.00 42.46 38.28 3a2w s ILE 186 CO 0.00 0.28 0.96 -0.69 0.00 0.00 0.00 174.94 175.49 3a2w s VAL 187 N 0.58 4.82 0.09 2.92 1.01 -0.47 0.13 120.40 129.49 3a2w s VAL 187 Ca 0.39 2.03 -0.36 0.00 0.00 0.00 0.00 61.98 64.04 3a2w s VAL 187 Cb -0.19 -4.31 -0.15 0.00 0.00 0.00 0.00 36.38 31.73 3a2w s VAL 187 CO 0.20 0.19 1.46 -2.65 0.00 0.00 0.00 175.10 174.31 3a2w n PRO 188 N 3.73 1.56 -1.75 2.72 -0.02 -1.26 -4.60 135.00 135.37 3a2w n PRO 188 Ca 0.05 0.56 -0.40 0.00 -2.02 0.00 0.00 63.50 61.69 3a2w n PRO 188 Cb 0.51 -2.26 0.01 0.00 -0.02 0.00 0.00 33.50 31.74 3a2w n PRO 188 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3a2w n PRO 189 N 3.12 2.30 -1.52 0.52 -0.02 -1.26 -4.98 135.00 133.16 3a2w n PRO 189 Ca 0.18 0.81 -0.35 0.00 -2.02 0.00 0.00 63.50 62.12 3a2w n PRO 189 Cb 0.23 -2.59 0.09 0.00 -0.02 0.00 0.00 33.50 31.20 3a2w n PRO 189 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3a2w s PRO 190 N -2.32 2.23 0.00 0.52 0.02 -1.26 -4.94 135.00 129.25 3a2w s PRO 190 Ca 0.59 1.91 0.02 0.00 0.02 0.00 0.00 61.00 63.55 3a2w s PRO 190 Cb -0.47 -1.83 0.02 0.00 0.02 0.00 0.00 34.50 32.24 3a2w s PRO 190 CO 0.59 -1.81 0.54 2.41 -0.33 0.00 0.00 177.00 178.41 3a2w n THR 191 N -2.45 0.00 -4.08 0.99 -1.04 -1.26 -4.92 114.28 101.53 3a2w n THR 191 Ca 0.15 -0.50 -0.10 0.00 -2.04 0.00 0.00 64.05 61.56 3a2w n THR 191 Cb 0.49 1.05 -0.11 0.00 -1.82 0.00 0.00 70.33 69.94 3a2w n THR 191 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3a2w s THR 192 N -0.26 0.40 0.34 12.58 -4.23 -1.26 -5.02 115.64 118.19 3a2w s THR 192 Ca 0.03 -1.44 0.02 0.00 -1.18 0.00 0.00 61.69 59.11 3a2w s THR 192 Cb 0.02 -1.03 0.27 0.00 1.34 0.00 0.00 72.50 73.09 3a2w s THR 192 CO 0.03 -0.69 2.00 -0.33 -0.54 0.00 0.00 174.62 175.09 3a2w h GLU 193 N 3.80 0.87 0.02 3.99 5.08 -1.99 0.05 114.58 126.40 3a2w h GLU 193 Ca -0.34 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 57.98 3a2w h GLU 193 Cb 1.18 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 3a2w h GLU 193 CO 0.53 0.57 -0.11 -0.44 -1.00 0.00 0.00 179.01 178.56 3a2w h ASP 194 N 0.89 -0.32 -0.29 1.42 3.45 -1.99 -0.89 116.42 118.69 3a2w h ASP 194 Ca 0.26 0.05 -0.02 0.00 0.43 0.00 0.00 57.03 57.74 3a2w h ASP 194 Cb -0.06 0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 38.83 3a2w h ASP 194 CO -0.06 -0.16 0.09 1.56 -1.57 0.00 0.00 179.24 179.10 3a2w h GLN 195 N -0.20 0.45 -0.19 3.56 4.20 -1.78 -1.98 115.11 119.17 3a2w h GLN 195 Ca 0.04 -0.09 0.05 0.00 0.06 0.00 0.00 58.65 58.70 3a2w h GLN 195 Cb 0.24 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 27.91 3a2w h GLN 195 CO -0.10 0.50 -0.13 0.00 -0.67 0.00 0.00 178.83 178.42 3a2w h ALA 196 N 0.93 0.01 -0.85 3.87 0.00 -0.80 0.09 119.26 122.51 3a2w h ALA 196 Ca 0.09 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3a2w h ALA 196 Cb 0.23 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 3a2w h ALA 196 CO -0.00 -0.56 0.43 -0.09 0.00 0.00 0.00 179.25 179.02 3a2w h ARG 197 N -0.13 1.21 -0.60 0.00 2.43 -1.12 -2.26 114.38 113.91 3a2w h ARG 197 Ca 0.11 -0.17 -0.06 0.00 -0.81 0.00 0.00 59.98 59.05 3a2w h ARG 197 Cb 0.30 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 3a2w h ARG 197 CO -0.27 0.92 0.12 0.00 -1.51 0.00 0.00 179.97 179.23 3a2w h ALA 198 N 1.23 1.10 -0.20 2.80 0.00 -0.59 -0.80 119.26 122.80 3a2w h ALA 198 Ca 0.30 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 3a2w h ALA 198 Cb 0.09 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3a2w h ALA 198 CO -0.04 0.60 -0.30 -0.09 0.00 0.00 0.00 179.25 179.42 3a2w h ARG 199 N 0.90 0.56 0.00 0.00 2.43 -0.77 -0.32 114.38 117.17 3a2w h ARG 199 Ca 0.19 -0.33 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 3a2w h ARG 199 Cb 0.35 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 3a2w h ARG 199 CO 0.00 0.93 0.00 0.52 -1.51 0.00 0.00 179.97 179.92 3a2w h MET 200 N 0.23 0.00 0.06 0.20 2.86 -1.32 -2.98 114.93 113.98 3a2w h MET 200 Ca 0.02 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.54 3a2w h MET 200 Cb 0.88 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.54 3a2w h MET 200 CO 0.07 0.00 -0.57 1.49 1.06 0.00 0.00 176.91 178.96 3a2w h GLU 201 N 0.00 0.12 0.00 1.72 4.81 -0.85 -3.32 114.58 117.06 3a2w h GLU 201 Ca 0.00 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 3a2w h GLU 201 Cb 0.42 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 3a2w h GLU 201 CO 0.00 1.10 -0.03 0.66 -0.73 0.00 0.00 179.01 180.01 3a2w h SER 202 N -0.72 0.00 -5.74 1.04 4.64 -0.92 -3.46 113.55 108.40 3a2w h SER 202 Ca -0.12 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.79 3a2w h SER 202 Cb 1.33 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.31 3a2w h SER 202 CO 0.03 0.03 -0.60 0.61 -0.87 0.00 0.00 176.83 176.03 3a2w n GLY 203 N -1.15 -0.48 0.02 -0.77 0.00 -1.14 -4.83 105.19 96.84 3a2w n GLY 203 Ca -0.03 0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.22 3a2w n GLY 203 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3a2w n GLN 204 N -3.84 0.07 -4.00 1.61 7.27 -1.26 -4.93 117.38 112.29 3a2w n GLN 204 Ca 0.01 0.03 -0.08 0.00 0.07 0.00 0.00 57.00 57.03 3a2w n GLN 204 Cb 0.53 -1.55 -0.10 0.00 2.41 0.00 0.00 30.24 31.53 3a2w n GLN 204 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 3a2w s TYR 205 N -3.04 0.35 0.28 3.69 1.51 -1.26 -5.06 117.35 113.82 3a2w s TYR 205 Ca 0.11 -0.78 -0.29 0.00 -1.01 0.00 0.00 57.07 55.09 3a2w s TYR 205 Cb 0.17 -0.26 -0.10 0.00 -0.11 0.00 0.00 41.96 41.66 3a2w s TYR 205 CO 0.65 -0.37 1.36 1.03 -1.11 0.00 0.00 175.55 177.12 3a2w s ARG 206 N -3.20 4.32 -0.05 -0.62 0.52 -1.12 -4.83 118.95 113.97 3a2w s ARG 206 Ca 0.00 2.24 -0.08 0.00 -0.52 0.00 0.00 55.73 57.37 3a2w s ARG 206 Cb 0.03 -3.10 0.01 0.00 0.52 0.00 0.00 34.95 32.41 3a2w s ARG 206 CO -0.07 -0.29 0.19 0.00 0.02 0.00 0.00 175.30 175.15 3a2w n LEU 208 N 2.37 1.25 -3.77 0.00 7.99 0.88 -4.98 117.00 120.74 3a2w n LEU 208 Ca -0.16 0.15 -0.07 0.00 -0.01 0.00 0.00 56.01 55.91 3a2w n LEU 208 Cb 0.57 -0.13 -0.02 0.00 -0.11 0.00 0.00 43.42 43.74 3a2w n LEU 208 CO 0.20 0.60 0.51 -0.62 -1.51 0.00 0.00 177.39 176.57 3a2w s ASP 209 N -6.13 -0.29 0.66 -1.43 -1.08 -1.24 -4.98 116.67 102.18 3a2w s ASP 209 Ca -0.15 -0.47 0.33 0.00 -0.52 0.00 0.00 52.55 51.74 3a2w s ASP 209 Cb 0.07 0.66 1.78 0.00 -1.46 0.00 0.00 42.92 43.98 3a2w s ASP 209 CO 0.78 -1.20 2.02 4.11 0.52 0.00 0.00 175.17 181.40 3a2w h TRP 210 N 2.00 0.00 -0.36 -5.34 5.08 -1.95 0.45 115.95 115.84 3a2w h TRP 210 Ca -0.22 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.75 3a2w h TRP 210 Cb 1.25 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.41 3a2w h TRP 210 CO 0.39 0.00 0.00 -2.67 -1.28 0.00 0.00 178.44 174.88 3a2w n TRP 211 N -3.03 0.46 -3.49 0.12 4.27 -1.26 -4.43 117.44 110.08 3a2w n TRP 211 Ca -0.01 -0.25 -0.27 0.00 -3.89 0.00 0.00 57.50 53.07 3a2w n TRP 211 Cb 0.33 -0.00 -0.11 0.00 -1.36 0.00 0.00 31.31 30.17 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 -1.42 1.50 0.16 -2.67 5.99 0.15 -4.64 117.98 117.04 3a2w s PHE 212 Ca 0.36 -2.44 0.11 0.00 0.00 0.00 0.00 56.93 54.96 3a2w s PHE 212 Cb 0.21 -1.24 -0.04 0.00 0.00 0.00 0.00 43.02 41.95 3a2w s PHE 212 CO 0.30 -0.78 -0.25 0.00 -0.00 0.00 0.00 175.22 174.48 3a2w s TRP 214 N -1.37 -0.02 0.00 0.00 -2.14 -0.11 -1.37 118.94 113.93 3a2w s TRP 214 Ca 0.17 -0.41 0.00 0.00 2.66 0.00 0.00 56.10 58.52 3a2w s TRP 214 Cb -0.09 0.55 0.00 0.00 -3.10 0.00 0.00 33.47 30.83 3a2w s TRP 214 CO 0.08 -1.16 0.00 -0.40 -2.66 0.00 0.00 176.95 172.81 3a2w n ASP 215 N -0.44 0.00 -3.44 -2.66 3.85 -0.90 -2.78 116.55 110.19 3a2w n ASP 215 Ca -0.03 -0.82 -0.26 0.00 -0.71 0.00 0.00 54.79 52.96 3a2w n ASP 215 Cb 0.60 0.00 -0.09 0.00 -1.35 0.00 0.00 41.12 40.28 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 0.00 0.59 0.48 2.12 -2.24 -1.26 -0.78 114.28 113.19 3a2w n THR 216 Ca 0.00 -4.43 0.13 0.00 -2.27 0.00 0.00 64.05 57.47 3a2w n THR 216 Cb 0.00 -1.99 0.31 0.00 -2.10 0.00 0.00 70.33 66.55 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 4.64 0.00 -6.42 -0.78 0.13 -1.93 -3.46 132.00 124.18 3a2w h PRO 217 Ca 0.16 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.75 3a2w h PRO 217 Cb 0.79 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.92 3a2w h PRO 217 CO 0.61 0.00 0.66 0.00 -0.23 0.00 0.00 178.00 179.04 3a2w s ALA 218 N -3.15 3.47 0.77 -0.56 0.00 -1.26 -5.00 121.76 116.04 3a2w s ALA 218 Ca 0.09 0.80 -0.14 0.00 0.00 0.00 0.00 51.96 52.71 3a2w s ALA 218 Cb 0.10 -3.50 0.06 0.00 0.00 0.00 0.00 23.12 19.78 3a2w s ALA 218 CO 0.63 -0.63 1.22 -1.54 0.00 0.00 0.00 175.76 175.44 3a2w s SER 219 N 1.34 3.83 0.27 0.00 1.04 -1.26 -4.78 113.70 114.13 3a2w s SER 219 Ca 0.59 2.40 -0.01 0.00 0.48 0.00 0.00 55.95 59.41 3a2w s SER 219 Cb -0.29 -2.59 0.52 0.00 0.10 0.00 0.00 66.02 63.76 3a2w s SER 219 CO 0.27 -2.51 1.80 0.03 0.98 0.00 0.00 173.24 173.80 3a2w h ARG 220 N -0.61 0.77 -0.53 4.02 3.08 -1.99 -1.82 114.38 117.30 3a2w h ARG 220 Ca -0.47 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.50 3a2w h ARG 220 Cb 1.30 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 31.15 3a2w h ARG 220 CO 0.48 0.51 0.19 -0.44 -1.07 0.00 0.00 179.97 179.63 3a2w h ASP 221 N 0.79 0.75 -0.68 7.04 5.19 -1.99 -1.56 116.42 125.96 3a2w h ASP 221 Ca 0.47 -0.19 -0.02 0.00 -0.62 0.00 0.00 57.03 56.66 3a2w h ASP 221 Cb 0.55 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.83 3a2w h ASP 221 CO -0.30 0.74 0.33 0.44 -3.12 0.00 0.00 179.24 177.33 3a2w h ASP 222 N 0.72 0.88 -0.43 6.45 3.32 -1.71 -0.17 116.42 125.49 3a2w h ASP 222 Ca 0.17 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 3a2w h ASP 222 Cb 0.24 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 3a2w h ASP 222 CO -0.01 0.76 0.15 0.58 -1.72 0.00 0.00 179.24 179.00 3a2w h VAL 223 N 0.94 1.21 -0.14 -1.35 2.07 -1.25 -2.60 116.25 115.13 3a2w h VAL 223 Ca 0.23 -0.67 -0.10 0.00 0.82 0.00 0.00 66.70 66.98 3a2w h VAL 223 Cb 0.11 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3a2w h VAL 223 CO -0.03 0.24 -0.35 -0.33 0.02 0.00 0.00 177.57 177.12 3a2w h GLU 224 N 0.55 0.28 -0.51 1.57 5.08 -1.05 -1.18 114.58 119.31 3a2w h GLU 224 Ca 0.14 -0.12 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 3a2w h GLU 224 Cb 0.23 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3a2w h GLU 224 CO -0.01 0.61 0.10 1.49 -1.00 0.00 0.00 179.01 180.19 3a2w h GLU 225 N 0.24 0.84 -0.21 2.33 4.81 -0.87 0.47 114.58 122.18 3a2w h GLU 225 Ca 0.03 -0.22 -0.03 0.00 -0.13 0.00 0.00 59.36 59.01 3a2w h GLU 225 Cb 0.75 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 3a2w h GLU 225 CO 0.06 0.82 -0.00 0.00 -0.73 0.00 0.00 179.01 179.15 3a2w h ALA 226 N 0.98 0.28 -0.70 2.92 0.00 -1.19 -2.57 119.26 118.99 3a2w h ALA 226 Ca 0.16 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3a2w h ALA 226 Cb 0.38 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3a2w h ALA 226 CO 0.01 0.01 0.46 0.00 0.00 0.00 0.00 179.25 179.73 3a2w h ARG 227 N 0.13 0.85 -0.89 0.00 3.08 -1.11 -1.60 114.38 114.84 3a2w h ARG 227 Ca 0.06 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.07 3a2w h ARG 227 Cb 0.41 -0.19 -0.05 0.00 0.08 0.00 0.00 29.97 30.22 3a2w h ARG 227 CO 0.01 0.56 0.59 -0.09 -1.07 0.00 0.00 179.97 179.97 3a2w h ARG 228 N 0.87 1.16 -0.01 0.04 2.43 -0.56 0.12 114.38 118.42 3a2w h ARG 228 Ca 0.27 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.39 3a2w h ARG 228 Cb 0.02 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.29 3a2w h ARG 228 CO -0.07 0.76 -0.08 1.88 -1.51 0.00 0.00 179.97 180.95 3a2w h TYR 229 N 1.19 -0.21 -0.59 2.20 0.99 -0.91 -0.76 116.97 118.88 3a2w h TYR 229 Ca 0.33 0.01 -0.05 0.00 2.00 0.00 0.00 58.73 61.01 3a2w h TYR 229 Cb -0.11 0.09 -0.02 0.00 1.00 0.00 0.00 36.73 37.69 3a2w h TYR 229 CO -0.01 -0.13 0.16 -0.07 -0.00 0.00 0.00 178.16 178.11 3a2w h LEU 230 N -0.14 0.89 -1.03 3.88 3.38 -1.26 -2.02 115.31 119.01 3a2w h LEU 230 Ca 0.04 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.80 3a2w h LEU 230 Cb 0.19 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 3a2w h LEU 230 CO -0.09 0.88 0.65 -0.09 0.09 0.00 0.00 178.44 179.88 3a2w h ARG 231 N 0.86 1.27 -0.54 1.13 9.65 -0.70 -1.19 114.38 124.86 3a2w h ARG 231 Ca 0.19 -0.08 -0.08 0.00 -1.10 0.00 0.00 59.98 58.91 3a2w h ARG 231 Cb 0.33 -0.29 -0.02 0.00 -1.39 0.00 0.00 29.97 28.60 3a2w h ARG 231 CO -0.00 0.84 0.02 -0.09 2.80 0.00 0.00 179.97 183.55 3a2w h ARG 232 N 1.31 0.90 0.00 0.20 2.43 -0.83 -1.80 114.38 116.58 3a2w h ARG 232 Ca 0.37 -0.25 -0.07 0.00 -0.81 0.00 0.00 59.98 59.22 3a2w h ARG 232 Cb -0.11 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.33 3a2w h ARG 232 CO -0.09 0.88 -0.35 0.00 -1.51 0.00 0.00 179.97 178.90 3a2w h ALA 233 N 1.18 1.31 0.00 2.80 0.00 -0.52 -3.02 119.26 121.01 3a2w h ALA 233 Ca 0.16 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3a2w h ALA 233 Cb 0.47 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3a2w h ALA 233 CO 0.02 0.44 -0.91 0.00 0.00 0.00 0.00 179.25 178.80 3a2w n ALA 234 N -2.42 3.04 -2.69 0.00 0.00 -0.63 -4.91 120.51 112.89 3a2w n ALA 234 Ca -0.02 -0.32 -0.42 0.00 0.00 0.00 0.00 53.44 52.68 3a2w n ALA 234 Cb 0.41 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.76 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 -3.23 4.55 -0.00 0.00 2.12 -0.71 -5.02 118.70 116.41 3a2w s GLU 235 Ca 0.03 1.44 -0.30 0.00 0.36 0.00 0.00 54.97 56.50 3a2w s GLU 235 Cb 0.13 -3.46 -0.04 0.00 0.26 0.00 0.00 34.13 31.02 3a2w s GLU 235 CO 0.77 -0.08 1.08 0.21 -0.54 0.00 0.00 175.26 176.71 3a2w s LYS 236 N 1.07 4.47 0.50 4.30 2.20 -1.26 -4.97 119.74 126.05 3a2w s LYS 236 Ca 0.52 1.56 -0.23 0.00 -0.36 0.00 0.00 55.97 57.46 3a2w s LYS 236 Cb -0.21 -3.45 -0.07 0.00 -1.51 0.00 0.00 37.83 32.59 3a2w s LYS 236 CO 0.27 -0.20 1.39 -2.30 -0.36 0.00 0.00 175.35 174.15 3a2w n PRO 237 N 4.23 1.94 0.06 4.03 -0.02 -1.26 -4.91 135.00 139.08 3a2w n PRO 237 Ca 0.08 0.70 -0.06 0.00 -2.02 0.00 0.00 63.50 62.21 3a2w n PRO 237 Cb 0.49 -2.59 -0.10 0.00 -0.02 0.00 0.00 33.50 31.28 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 1.83 0.43 -3.33 3.55 0.00 -2.05 -3.44 119.26 116.25 3a2w h ALA 238 Ca -0.51 -0.89 -0.45 0.00 0.00 0.00 0.00 54.91 53.07 3a2w h ALA 238 Cb 1.29 -0.10 -0.36 0.00 0.00 0.00 0.00 17.79 18.63 3a2w h ALA 238 CO 0.59 1.18 -0.78 0.21 0.00 0.00 0.00 179.25 180.45 3a2w s LYS 239 N -2.74 0.96 -0.03 0.00 2.47 -1.26 -5.13 119.74 114.01 3a2w s LYS 239 Ca 0.01 -0.09 -0.22 0.00 -1.56 0.00 0.00 55.97 54.11 3a2w s LYS 239 Cb 0.09 -1.08 -0.04 0.00 -1.46 0.00 0.00 37.83 35.34 3a2w s LYS 239 CO 0.81 -0.18 0.67 -0.51 0.16 0.00 0.00 175.35 176.29 3a2w s LEU 240 N 1.40 4.36 0.61 5.43 1.43 -1.26 -4.93 118.68 125.72 3a2w s LEU 240 Ca -0.03 1.20 0.32 0.00 -1.03 0.00 0.00 54.13 54.59 3a2w s LEU 240 Cb -0.13 -3.04 1.89 0.00 0.03 0.00 0.00 46.19 44.94 3a2w s LEU 240 CO -0.03 -0.03 2.23 -0.07 0.23 0.00 0.00 176.35 178.68 3a2w h LEU 241 N 6.27 0.00 -1.57 1.79 3.38 -2.00 -1.20 115.31 121.98 3a2w h LEU 241 Ca -0.43 0.00 0.22 0.00 0.09 0.00 0.00 57.88 57.76 3a2w h LEU 241 Cb 1.20 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.88 3a2w h LEU 241 CO 0.73 0.00 0.61 0.22 0.09 0.00 0.00 178.44 180.09 3a2w h TYR 242 N 0.00 0.47 -0.60 1.13 3.20 -1.92 -0.14 116.97 119.11 3a2w h TYR 242 Ca 0.02 0.01 -0.35 0.00 3.14 0.00 0.00 58.73 61.56 3a2w h TYR 242 Cb 0.14 -0.14 -0.18 0.00 1.54 0.00 0.00 36.73 38.09 3a2w h TYR 242 CO 0.00 0.11 0.44 0.39 -1.64 0.00 0.00 178.16 177.47 3a2w n GLU 243 N -4.49 1.84 0.00 1.82 1.02 -0.45 -5.12 120.64 115.26 3a2w n GLU 243 Ca 0.20 -1.86 0.02 0.00 -0.02 0.00 0.00 57.16 55.50 3a2w n GLU 243 Cb 0.75 -1.73 0.02 0.00 -0.02 0.00 0.00 31.44 30.46 3a2w n GLU 243 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70