#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 0.13 -0.35 0.55 0.00 -1.26 -5.09 107.32 101.31 3a2w s GLY 3 Ca 0.00 -0.42 -0.06 0.00 0.00 0.00 0.00 44.72 44.24 3a2w s GLY 3 CO 0.00 -0.56 0.11 -0.45 0.00 0.00 0.00 173.10 172.21 3a2w s SER 4 N -1.87 5.30 0.11 1.64 0.15 -1.26 -5.09 113.70 112.68 3a2w s SER 4 Ca -0.09 -1.24 0.07 0.00 0.70 0.00 0.00 55.95 55.40 3a2w s SER 4 Cb -0.04 -1.86 -0.04 0.00 -1.71 0.00 0.00 66.02 62.37 3a2w s SER 4 CO -0.02 -0.35 -0.10 0.27 1.20 0.00 0.00 173.24 174.24 3a2w s ILE 5 N 1.37 3.36 1.00 6.45 -0.00 -1.26 -3.44 121.20 128.69 3a2w s ILE 5 Ca -0.01 -1.31 -0.12 0.00 -0.00 0.00 0.00 60.65 59.21 3a2w s ILE 5 Cb -0.20 -2.59 0.19 0.00 -0.00 0.00 0.00 42.46 39.86 3a2w s ILE 5 CO 0.02 0.08 1.08 -2.84 -0.00 0.00 0.00 174.94 173.28 3a2w s PRO 6 N -2.30 0.37 0.19 0.37 0.02 -1.26 -5.01 135.00 127.37 3a2w s PRO 6 Ca 0.22 0.93 0.10 0.00 0.02 0.00 0.00 61.00 62.27 3a2w s PRO 6 Cb -0.11 -1.70 -0.04 0.00 0.02 0.00 0.00 34.50 32.67 3a2w s PRO 6 CO 0.14 -2.88 -0.17 -0.51 -0.33 0.00 0.00 177.00 173.25 3a2w s LEU 7 N -6.66 2.70 0.28 -5.54 1.43 -1.26 -5.08 118.68 104.54 3a2w s LEU 7 Ca 0.66 -0.72 -0.30 0.00 -1.03 0.00 0.00 54.13 52.73 3a2w s LEU 7 Cb -0.21 -1.41 -0.11 0.00 0.03 0.00 0.00 46.19 44.48 3a2w s LEU 7 CO 0.60 0.11 1.60 -0.63 0.23 0.00 0.00 176.35 178.26 3a2w s ILE 8 N -1.68 2.11 0.00 -0.59 1.01 -1.26 -1.75 121.20 119.03 3a2w s ILE 8 Ca 0.23 0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.96 3a2w s ILE 8 Cb -0.08 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.33 3a2w s ILE 8 CO 0.12 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.69 3a2w n GLY 9 N 2.45 3.21 3.89 6.18 0.00 -0.58 -5.02 105.19 115.31 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 -0.58 3.68 0.35 1.61 2.02 -0.71 -4.80 118.70 120.27 3a2w s GLU 10 Ca 0.00 0.30 -0.27 0.00 0.02 0.00 0.00 54.97 55.03 3a2w s GLU 10 Cb 0.00 -2.44 -0.09 0.00 0.10 0.00 0.00 34.13 31.70 3a2w s GLU 10 CO 0.00 -0.04 1.10 0.50 0.02 0.00 0.00 175.26 176.84 3a2w s ARG 11 N -4.04 4.35 0.22 1.61 3.52 -1.26 -1.33 118.95 122.01 3a2w s ARG 11 Ca 0.49 1.71 -0.32 0.00 -0.13 0.00 0.00 55.73 57.48 3a2w s ARG 11 Cb -0.10 -2.85 -0.12 0.00 -1.56 0.00 0.00 34.95 30.32 3a2w s ARG 11 CO 0.35 -0.03 1.69 0.12 -0.81 0.00 0.00 175.30 176.63 3a2w s PHE 12 N -1.39 2.90 0.16 5.12 5.36 0.14 -4.83 117.98 125.43 3a2w s PHE 12 Ca 0.52 0.42 -0.34 0.00 -0.96 0.00 0.00 56.93 56.57 3a2w s PHE 12 Cb -0.28 -4.12 -0.15 0.00 -0.34 0.00 0.00 43.02 38.13 3a2w s PHE 12 CO 0.36 -4.16 1.29 -0.35 -1.46 0.00 0.00 175.22 170.90 3a2w n PRO 13 N 3.73 1.37 -2.05 10.12 -0.04 -1.26 -4.47 135.00 142.40 3a2w n PRO 13 Ca 0.15 0.49 -0.41 0.00 -0.04 0.00 0.00 63.50 63.68 3a2w n PRO 13 Cb 0.36 -2.08 -0.03 0.00 -0.04 0.00 0.00 33.50 31.71 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 -0.01 4.29 -0.27 0.54 2.56 -1.26 -4.45 118.70 120.10 3a2w s GLU 14 Ca 0.76 2.24 -0.27 0.00 0.00 0.00 0.00 54.97 57.71 3a2w s GLU 14 Cb -0.84 -3.14 0.16 0.00 2.00 0.00 0.00 34.13 32.31 3a2w s GLU 14 CO 0.49 -0.41 1.21 0.00 -0.56 0.00 0.00 175.26 175.99 3a2w s MET 15 N -0.03 0.30 -0.18 4.30 0.23 -0.64 -4.99 119.30 118.29 3a2w s MET 15 Ca 0.60 0.25 -0.15 0.00 -1.03 0.00 0.00 55.69 55.36 3a2w s MET 15 Cb -0.41 0.15 -0.04 0.00 -1.53 0.00 0.00 34.83 33.00 3a2w s MET 15 CO 0.40 -0.06 0.37 -2.00 -2.03 0.00 0.00 175.02 171.69 3a2w s GLU 16 N -0.28 4.23 0.20 3.16 2.12 -1.26 -0.12 118.70 126.75 3a2w s GLU 16 Ca 0.05 0.19 0.09 0.00 0.36 0.00 0.00 54.97 55.66 3a2w s GLU 16 Cb -0.04 -3.48 -0.04 0.00 0.26 0.00 0.00 34.13 30.83 3a2w s GLU 16 CO -0.08 0.09 -0.18 0.14 -0.54 0.00 0.00 175.26 174.68 3a2w s VAL 17 N 0.91 2.01 -0.25 3.70 -7.23 0.23 -4.98 120.40 114.79 3a2w s VAL 17 Ca 0.19 -2.11 -0.08 0.00 -1.81 0.00 0.00 61.98 58.16 3a2w s VAL 17 Cb -0.14 -2.03 -0.03 0.00 0.56 0.00 0.00 36.38 34.74 3a2w s VAL 17 CO 0.07 -0.38 0.10 -0.89 -0.31 0.00 0.00 175.10 173.68 3a2w s THR 18 N -2.34 4.57 0.49 5.32 2.01 -1.26 -1.92 115.64 122.50 3a2w s THR 18 Ca 0.21 -0.09 0.03 0.00 0.31 0.00 0.00 61.69 62.16 3a2w s THR 18 Cb -0.05 -3.14 -0.02 0.00 0.01 0.00 0.00 72.50 69.30 3a2w s THR 18 CO 0.09 0.33 0.07 0.42 -0.69 0.00 0.00 174.62 174.83 3a2w s THR 19 N 1.54 1.47 -2.03 -0.82 -4.23 0.32 0.01 115.64 111.91 3a2w s THR 19 Ca 0.06 -1.92 0.08 0.00 -1.18 0.00 0.00 61.69 58.74 3a2w s THR 19 Cb -0.15 -2.38 0.22 0.00 1.34 0.00 0.00 72.50 71.53 3a2w s THR 19 CO 0.05 0.00 1.26 -0.90 -0.54 0.00 0.00 174.62 174.49 3a2w n ASP 20 N -1.27 0.53 -0.22 3.99 5.68 -0.95 -2.08 116.55 122.24 3a2w n ASP 20 Ca -0.13 -1.84 0.02 0.00 -0.50 0.00 0.00 54.79 52.34 3a2w n ASP 20 Cb 0.66 -0.06 0.03 0.00 -1.14 0.00 0.00 41.12 40.62 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 -0.28 0.06 0.00 2.11 8.25 -1.26 -4.99 115.22 119.11 3a2w n HIS 21 Ca 0.07 -0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 3a2w n HIS 21 Cb 0.10 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.20 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 0.19 -0.07 3.76 -1.41 0.00 -0.88 -5.03 105.19 101.75 3a2w n GLY 22 Ca 0.04 -2.28 -0.38 0.00 0.00 0.00 0.00 46.02 43.40 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 -0.24 5.09 0.06 1.61 1.01 -1.26 -0.52 120.40 126.15 3a2w s VAL 23 Ca 0.00 0.97 -0.07 0.00 0.00 0.00 0.00 61.98 62.89 3a2w s VAL 23 Cb 0.00 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 3a2w s VAL 23 CO 0.00 0.41 0.13 0.27 0.00 0.00 0.00 175.10 175.91 3a2w s ILE 24 N 0.03 0.15 -0.19 2.22 -4.36 -0.81 -4.99 121.20 113.26 3a2w s ILE 24 Ca 0.26 -1.23 -0.09 0.00 -0.26 0.00 0.00 60.65 59.33 3a2w s ILE 24 Cb -0.16 -1.19 -0.05 0.00 1.25 0.00 0.00 42.46 42.31 3a2w s ILE 24 CO 0.12 -0.68 0.10 -0.75 0.24 0.00 0.00 174.94 173.97 3a2w s LYS 25 N -3.36 4.06 -0.02 0.37 2.20 -1.26 -0.60 119.74 121.12 3a2w s LYS 25 Ca 0.01 -0.28 0.01 0.00 -0.36 0.00 0.00 55.97 55.35 3a2w s LYS 25 Cb 0.03 -3.31 -0.04 0.00 -1.51 0.00 0.00 37.83 33.01 3a2w s LYS 25 CO -0.08 0.31 -0.00 -0.51 -0.36 0.00 0.00 175.35 174.70 3a2w s LEU 26 N 0.31 3.50 0.00 5.43 1.43 0.84 0.19 118.68 130.38 3a2w s LEU 26 Ca 0.06 0.01 0.26 0.00 -1.03 0.00 0.00 54.13 53.43 3a2w s LEU 26 Cb -0.12 -1.96 0.94 0.00 0.03 0.00 0.00 46.19 45.08 3a2w s LEU 26 CO -0.01 0.30 1.68 -0.81 0.23 0.00 0.00 176.35 177.74 3a2w n PRO 27 N 1.56 1.72 -0.36 1.29 -0.04 -1.26 -1.62 135.00 136.28 3a2w n PRO 27 Ca -0.15 -1.05 0.03 0.00 -0.04 0.00 0.00 63.50 62.29 3a2w n PRO 27 Cb 0.53 -1.46 0.10 0.00 -0.04 0.00 0.00 33.50 32.63 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 2.45 -1.11 -1.01 3.54 5.19 -1.92 -1.28 116.42 122.28 3a2w h ASP 28 Ca 0.00 0.30 0.28 0.00 -0.62 0.00 0.00 57.03 56.99 3a2w h ASP 28 Cb 0.52 0.67 -0.13 0.00 0.18 0.00 0.00 39.33 40.56 3a2w h ASP 28 CO 0.00 -0.31 0.59 -0.74 -3.12 0.00 0.00 179.24 175.66 3a2w h HIS 29 N -0.00 0.97 0.05 4.55 2.76 -0.60 -1.22 115.15 121.65 3a2w h HIS 29 Ca 0.43 0.04 -0.36 0.00 -2.20 0.00 0.00 60.37 58.28 3a2w h HIS 29 Cb 0.68 -0.27 -0.05 0.00 1.55 0.00 0.00 27.41 29.32 3a2w h HIS 29 CO -0.80 -0.04 -2.12 0.66 -1.30 0.00 0.00 177.93 174.33 3a2w n TYR 30 N -4.95 0.70 -0.18 5.26 4.02 -0.56 -4.09 117.16 117.36 3a2w n TYR 30 Ca 0.29 0.18 -0.01 0.00 -0.01 0.00 0.00 57.90 58.35 3a2w n TYR 30 Cb 0.86 -1.10 0.09 0.00 -0.02 0.00 0.00 39.34 39.17 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 0.03 0.77 -0.25 -0.72 2.07 -0.98 0.13 116.25 117.30 3a2w h VAL 31 Ca -0.45 -0.12 0.07 0.00 0.82 0.00 0.00 66.70 67.02 3a2w h VAL 31 Cb 2.03 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 3a2w h VAL 31 CO 0.03 0.06 0.29 0.28 0.02 0.00 0.00 177.57 178.26 3a2w h SER 32 N 0.35 0.00 -0.37 0.57 0.02 -1.40 0.43 113.55 113.16 3a2w h SER 32 Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 3a2w h SER 32 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 3a2w h SER 32 CO -0.30 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.39 3a2w n GLN 33 N -3.71 2.51 -1.94 3.45 6.02 0.33 -4.93 117.38 119.11 3a2w n GLN 33 Ca 0.03 -2.28 -0.17 0.00 -0.01 0.00 0.00 57.00 54.57 3a2w n GLN 33 Cb 0.43 -1.51 -0.04 0.00 1.02 0.00 0.00 30.24 30.13 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 1.50 0.62 3.89 1.08 0.00 0.15 -4.98 105.19 107.44 3a2w n GLY 34 Ca 0.19 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 -4.21 3.31 0.52 1.61 1.02 -0.51 -4.83 119.74 116.65 3a2w s LYS 35 Ca 0.00 -0.53 -0.01 0.00 0.02 0.00 0.00 55.97 55.45 3a2w s LYS 35 Cb 0.00 -2.95 0.01 0.00 -0.52 0.00 0.00 37.83 34.37 3a2w s LYS 35 CO 0.00 0.58 0.77 -1.58 -0.92 0.00 0.00 175.35 174.20 3a2w s TRP 36 N -1.53 3.09 -0.10 3.18 0.52 -0.59 -3.90 118.94 119.61 3a2w s TRP 36 Ca 0.34 0.24 -0.18 0.00 0.02 0.00 0.00 56.10 56.51 3a2w s TRP 36 Cb -0.12 -2.59 0.04 0.00 -1.15 0.00 0.00 33.47 29.65 3a2w s TRP 36 CO 0.27 -0.68 0.46 -0.59 0.02 0.00 0.00 176.95 176.43 3a2w s PHE 37 N -2.75 -0.44 -0.32 -1.98 -0.12 -0.29 -1.68 117.98 110.41 3a2w s PHE 37 Ca 0.53 0.92 -0.05 0.00 -0.05 0.00 0.00 56.93 58.28 3a2w s PHE 37 Cb -0.10 0.19 0.04 0.00 -0.63 0.00 0.00 43.02 42.51 3a2w s PHE 37 CO 0.40 -0.36 0.07 0.08 -0.05 0.00 0.00 175.22 175.36 3a2w s VAL 38 N -0.50 3.61 -0.23 -2.49 1.01 -0.39 -1.28 120.40 120.12 3a2w s VAL 38 Ca -0.06 -1.10 -0.14 0.00 0.00 0.00 0.00 61.98 60.68 3a2w s VAL 38 Cb -0.03 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 3a2w s VAL 38 CO 0.03 -0.10 0.31 -0.22 0.00 0.00 0.00 175.10 175.13 3a2w s LEU 39 N 1.39 4.11 0.03 3.92 1.98 -0.32 -1.71 118.68 128.08 3a2w s LEU 39 Ca -0.02 0.33 0.02 0.00 -2.89 0.00 0.00 54.13 51.57 3a2w s LEU 39 Cb -0.19 -2.36 -0.02 0.00 0.66 0.00 0.00 46.19 44.28 3a2w s LEU 39 CO 0.02 -0.06 -0.07 0.72 -1.89 0.00 0.00 176.35 175.06 3a2w s PHE 40 N 1.42 0.65 0.35 5.38 -0.12 -0.56 0.45 117.98 125.55 3a2w s PHE 40 Ca 0.14 -0.38 0.09 0.00 -0.05 0.00 0.00 56.93 56.73 3a2w s PHE 40 Cb -0.15 -0.39 -0.06 0.00 -0.63 0.00 0.00 43.02 41.79 3a2w s PHE 40 CO 0.07 -0.06 0.02 -1.54 -0.05 0.00 0.00 175.22 173.67 3a2w s SER 41 N -1.17 4.14 0.07 1.98 1.04 -0.78 -1.43 113.70 117.54 3a2w s SER 41 Ca -0.06 -1.05 -0.09 0.00 0.48 0.00 0.00 55.95 55.23 3a2w s SER 41 Cb -0.08 -0.50 0.00 0.00 0.10 0.00 0.00 66.02 65.55 3a2w s SER 41 CO 0.00 -0.29 0.19 -1.38 0.98 0.00 0.00 173.24 172.75 3a2w s HIS 42 N -2.55 0.11 0.08 5.02 -3.43 0.12 -4.04 115.29 110.59 3a2w s HIS 42 Ca 0.35 -0.44 -0.35 0.00 -0.80 0.00 0.00 55.06 53.82 3a2w s HIS 42 Cb 0.01 -0.05 -0.17 0.00 -1.43 0.00 0.00 32.58 30.95 3a2w s HIS 42 CO 0.19 -0.49 1.59 -1.35 -2.00 0.00 0.00 174.74 172.68 3a2w h PRO 43 N 3.08 -0.96 -2.92 -0.38 0.11 -1.76 -3.39 132.00 125.78 3a2w h PRO 43 Ca -0.33 0.07 -0.03 0.00 0.11 0.00 0.00 66.00 65.82 3a2w h PRO 43 Cb 1.20 0.22 -0.13 0.00 0.11 0.00 0.00 31.00 32.39 3a2w h PRO 43 CO 0.53 -0.64 0.19 0.00 -0.21 0.00 0.00 178.00 177.86 3a2w s ALA 44 N -5.95 -1.57 0.70 -0.75 0.00 -1.26 -4.21 121.76 108.72 3a2w s ALA 44 Ca -0.18 0.54 -0.13 0.00 0.00 0.00 0.00 51.96 52.19 3a2w s ALA 44 Cb 0.04 0.78 0.02 0.00 0.00 0.00 0.00 23.12 23.96 3a2w s ALA 44 CO 0.61 -0.72 1.10 -0.51 0.00 0.00 0.00 175.76 176.25 3a2w s ASP 45 N -2.58 4.89 -1.23 0.00 1.01 -1.26 -3.71 116.67 113.78 3a2w s ASP 45 Ca -0.00 1.91 -0.03 0.00 0.71 0.00 0.00 52.55 55.15 3a2w s ASP 45 Cb -0.01 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 3a2w s ASP 45 CO -0.10 -1.78 1.04 0.49 0.21 0.00 0.00 175.17 175.03 3a2w n PHE 46 N -2.88 -2.36 -4.56 4.23 3.01 -1.26 -5.02 117.46 108.62 3a2w n PHE 46 Ca 0.10 0.95 -0.23 0.00 1.01 0.00 0.00 57.45 59.28 3a2w n PHE 46 Cb 0.52 -5.04 -0.16 0.00 -0.01 0.00 0.00 39.48 34.80 3a2w n PHE 46 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3a2w s THR 47 N -3.34 1.05 0.11 4.37 -4.23 -1.24 -5.10 115.64 107.25 3a2w s THR 47 Ca 0.16 -0.49 -0.34 0.00 -1.18 0.00 0.00 61.69 59.85 3a2w s THR 47 Cb -0.07 -0.92 -0.13 0.00 1.34 0.00 0.00 72.50 72.71 3a2w s THR 47 CO 0.72 0.32 1.57 1.55 -0.54 0.00 0.00 174.62 178.24 3a2w h PRO 48 N 6.45 -0.72 -0.54 3.99 0.13 -1.95 -1.31 132.00 138.05 3a2w h PRO 48 Ca -0.33 0.05 0.03 0.00 -0.87 0.00 0.00 66.00 64.88 3a2w h PRO 48 Cb 1.17 0.16 -0.04 0.00 0.13 0.00 0.00 31.00 32.43 3a2w h PRO 48 CO 0.48 -0.48 0.32 0.28 -0.23 0.00 0.00 178.00 178.37 3a2w h VAL 49 N -0.74 1.04 -0.96 1.56 2.07 -1.99 -1.53 116.25 115.69 3a2w h VAL 49 Ca 0.00 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.37 3a2w h VAL 49 Cb 0.75 0.36 -0.07 0.00 -1.52 0.00 0.00 31.29 30.81 3a2w h VAL 49 CO -0.26 0.11 0.61 0.28 0.02 0.00 0.00 177.57 178.33 3a2w h SER 50 N 0.63 0.98 -0.40 0.57 0.02 -1.89 -1.23 113.55 112.23 3a2w h SER 50 Ca 0.22 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.15 3a2w h SER 50 Cb 0.05 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 3a2w h SER 50 CO -0.11 0.62 0.12 0.74 -1.14 0.00 0.00 176.83 177.06 3a2w h THR 51 N 1.11 1.22 -0.57 -2.27 2.02 -0.49 -0.56 112.91 113.37 3a2w h THR 51 Ca 0.42 -0.72 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 3a2w h THR 51 Cb 0.18 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 3a2w h THR 51 CO -0.18 0.25 0.34 0.71 0.37 0.00 0.00 175.52 177.02 3a2w h THR 52 N 0.50 1.16 -0.21 3.16 1.35 -0.62 -1.93 112.91 116.33 3a2w h THR 52 Ca 0.13 -0.36 -0.07 0.00 -0.55 0.00 0.00 66.41 65.56 3a2w h THR 52 Cb 0.27 0.36 -0.00 0.00 -1.73 0.00 0.00 68.15 67.04 3a2w h THR 52 CO -0.00 0.17 -0.14 -0.33 -0.25 0.00 0.00 175.52 174.97 3a2w h GLU 53 N 0.78 0.46 -0.80 4.72 5.08 -0.59 -1.60 114.58 122.64 3a2w h GLU 53 Ca 0.21 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3a2w h GLU 53 Cb -0.03 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 3a2w h GLU 53 CO -0.04 0.77 0.43 0.74 -1.00 0.00 0.00 179.01 179.91 3a2w h PHE 54 N 0.15 1.10 -0.52 4.33 -1.00 -0.85 -0.51 116.94 119.65 3a2w h PHE 54 Ca 0.04 -0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.75 3a2w h PHE 54 Cb 0.65 -0.35 -0.02 0.00 3.61 0.00 0.00 35.95 39.84 3a2w h PHE 54 CO 0.07 0.77 0.17 0.28 -1.61 0.00 0.00 178.31 177.98 3a2w h VAL 55 N 1.12 1.23 -0.80 -0.55 2.07 -1.31 -0.39 116.25 117.63 3a2w h VAL 55 Ca 0.28 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 3a2w h VAL 55 Cb 0.04 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 3a2w h VAL 55 CO -0.04 0.28 0.42 -1.28 0.02 0.00 0.00 177.57 176.97 3a2w h SER 56 N 0.70 1.01 -0.58 0.57 0.87 -0.60 -0.84 113.55 114.69 3a2w h SER 56 Ca 0.17 -0.11 -0.10 0.00 -1.23 0.00 0.00 61.79 60.51 3a2w h SER 56 Cb 0.27 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 3a2w h SER 56 CO -0.01 0.83 -0.04 -0.26 -0.53 0.00 0.00 176.83 176.82 3a2w h PHE 57 N 1.11 1.16 -0.38 2.24 -1.00 -0.84 -2.63 116.94 116.60 3a2w h PHE 57 Ca 0.28 -0.22 -0.01 0.00 2.81 0.00 0.00 57.97 60.84 3a2w h PHE 57 Cb 0.06 -0.29 -0.02 0.00 3.61 0.00 0.00 35.95 39.30 3a2w h PHE 57 CO 0.01 1.04 0.21 0.00 -1.61 0.00 0.00 178.31 177.96 3a2w h ALA 58 N 0.96 0.49 0.00 2.45 0.00 -0.60 0.68 119.26 123.23 3a2w h ALA 58 Ca 0.16 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3a2w h ALA 58 Cb 0.61 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3a2w h ALA 58 CO 0.04 0.01 -0.18 0.00 0.00 0.00 0.00 179.25 179.12 3a2w h ARG 59 N 0.49 0.00 -0.15 0.00 3.08 -1.09 -2.27 114.38 114.44 3a2w h ARG 59 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3a2w h ARG 59 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3a2w h ARG 59 CO -0.02 0.18 0.00 0.54 -1.07 0.00 0.00 179.97 179.60 3a2w n ARG 60 N -4.20 2.19 -0.13 0.04 1.74 -0.90 -4.55 116.66 110.85 3a2w n ARG 60 Ca -0.02 -1.75 -0.05 0.00 -0.77 0.00 0.00 57.85 55.25 3a2w n ARG 60 Cb 0.25 -1.47 0.01 0.00 -1.02 0.00 0.00 32.46 30.23 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 3.89 -0.57 -0.86 -1.55 3.20 -0.26 0.41 116.97 121.23 3a2w h TYR 61 Ca 0.00 0.05 0.13 0.00 3.14 0.00 0.00 58.73 62.05 3a2w h TYR 61 Cb 0.84 0.32 -0.07 0.00 1.54 0.00 0.00 36.73 39.36 3a2w h TYR 61 CO 0.09 -0.30 0.56 0.93 -1.64 0.00 0.00 178.16 177.79 3a2w h GLU 62 N -0.14 0.68 -0.59 1.82 5.08 -1.80 0.88 114.58 120.52 3a2w h GLU 62 Ca 0.21 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 3a2w h GLU 62 Cb 0.46 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 3a2w h GLU 62 CO -0.52 0.45 0.28 -0.44 -1.00 0.00 0.00 179.01 177.78 3a2w h ASP 63 N 0.70 0.76 -0.34 1.42 3.32 -1.25 -1.22 116.42 119.81 3a2w h ASP 63 Ca 0.42 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.30 3a2w h ASP 63 Cb 0.64 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 3a2w h ASP 63 CO -0.18 0.68 0.04 -0.26 -1.72 0.00 0.00 179.24 177.79 3a2w h PHE 64 N 0.80 0.62 -0.82 4.55 -1.00 -0.26 -2.98 116.94 117.84 3a2w h PHE 64 Ca 0.20 -0.09 0.05 0.00 2.81 0.00 0.00 57.97 60.94 3a2w h PHE 64 Cb 0.11 -0.17 -0.06 0.00 3.61 0.00 0.00 35.95 39.45 3a2w h PHE 64 CO -0.00 0.66 0.52 1.96 -1.61 0.00 0.00 178.31 179.83 3a2w h GLN 65 N 0.41 0.94 -0.36 1.51 4.20 -0.73 -0.49 115.11 120.59 3a2w h GLN 65 Ca 0.10 -0.06 0.10 0.00 0.06 0.00 0.00 58.65 58.86 3a2w h GLN 65 Cb 0.39 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 3a2w h GLN 65 CO 0.01 0.62 0.26 0.00 -0.67 0.00 0.00 178.83 179.05 3a2w h ARG 66 N 0.97 0.00 -0.08 1.46 3.08 -1.08 0.18 114.38 118.90 3a2w h ARG 66 Ca 0.35 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.40 3a2w h ARG 66 Cb 0.10 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3a2w h ARG 66 CO -0.15 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.03 3a2w n LEU 67 N -4.43 1.59 -1.68 3.04 4.77 -0.33 -4.90 117.00 115.05 3a2w n LEU 67 Ca 0.06 -0.60 -0.10 0.00 -0.03 0.00 0.00 56.01 55.34 3a2w n LEU 67 Cb 0.43 -0.05 0.03 0.00 -2.33 0.00 0.00 43.42 41.50 3a2w n LEU 67 CO 0.36 0.30 0.06 0.61 -1.33 0.00 0.00 177.39 177.39 3a2w n GLY 68 N 1.16 0.24 3.08 -0.72 0.00 0.62 -4.90 105.19 104.67 3a2w n GLY 68 Ca 0.18 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.00 1.68 0.39 1.61 1.01 -0.40 -1.55 120.40 120.14 3a2w s VAL 69 Ca 0.20 -0.74 0.08 0.00 0.00 0.00 0.00 61.98 61.52 3a2w s VAL 69 Cb -0.09 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 3a2w s VAL 69 CO 0.25 0.48 0.47 -0.62 0.00 0.00 0.00 175.10 175.68 3a2w s ASP 70 N 1.07 5.51 0.10 3.32 -1.08 -0.68 -3.35 116.67 121.57 3a2w s ASP 70 Ca -0.03 -0.47 0.08 0.00 -0.52 0.00 0.00 52.55 51.60 3a2w s ASP 70 Cb -0.14 -0.77 -0.04 0.00 -1.46 0.00 0.00 42.92 40.51 3a2w s ASP 70 CO -0.04 -0.63 -0.21 -0.76 0.52 0.00 0.00 175.17 174.06 3a2w s LEU 71 N -4.22 2.30 -0.17 -1.34 1.43 -1.26 -1.26 118.68 114.17 3a2w s LEU 71 Ca 0.50 -0.69 -0.08 0.00 -1.03 0.00 0.00 54.13 52.82 3a2w s LEU 71 Cb -0.08 -0.87 0.07 0.00 0.03 0.00 0.00 46.19 45.34 3a2w s LEU 71 CO 0.31 0.05 0.39 -0.51 0.23 0.00 0.00 176.35 176.82 3a2w s ILE 72 N -1.20 -0.18 0.66 -0.59 2.07 -0.69 -4.25 121.20 117.01 3a2w s ILE 72 Ca 0.07 0.12 0.01 0.00 -1.41 0.00 0.00 60.65 59.44 3a2w s ILE 72 Cb -0.10 -0.60 0.10 0.00 0.13 0.00 0.00 42.46 41.99 3a2w s ILE 72 CO 0.04 0.05 0.91 -0.83 -1.91 0.00 0.00 174.94 173.20 3a2w s GLY 73 N 1.71 1.78 -0.28 1.50 0.00 -0.01 -1.50 107.32 110.51 3a2w s GLY 73 Ca -0.07 -1.67 -0.16 0.00 0.00 0.00 0.00 44.72 42.81 3a2w s GLY 73 CO -0.12 -1.20 0.72 -2.27 0.00 0.00 0.00 173.10 170.23 3a2w s LEU 74 N -4.98 -0.91 0.17 0.66 1.98 -0.51 0.10 118.68 115.19 3a2w s LEU 74 Ca 0.63 1.45 -0.12 0.00 -2.89 0.00 0.00 54.13 53.20 3a2w s LEU 74 Cb -0.07 2.33 0.01 0.00 0.66 0.00 0.00 46.19 49.12 3a2w s LEU 74 CO 0.42 -0.23 0.37 -0.94 -1.89 0.00 0.00 176.35 174.08 3a2w s SER 75 N 1.63 -0.07 0.00 3.68 1.04 -1.08 -0.70 113.70 118.19 3a2w s SER 75 Ca -0.10 -0.70 0.27 0.00 0.48 0.00 0.00 55.95 55.89 3a2w s SER 75 Cb -0.05 0.49 1.59 0.00 0.10 0.00 0.00 66.02 68.15 3a2w s SER 75 CO -0.19 -0.95 1.96 0.55 0.98 0.00 0.00 173.24 175.59 3a2w n VAL 76 N -0.26 0.00 -1.93 5.02 3.14 -1.26 -1.63 118.33 121.42 3a2w n VAL 76 Ca -0.09 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 60.99 3a2w n VAL 76 Cb 0.63 -0.55 0.04 0.00 -1.06 0.00 0.00 33.84 32.90 3a2w n VAL 76 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 3a2w s ASP 77 N -1.97 5.67 0.77 6.55 1.11 -1.26 -3.47 116.67 124.07 3a2w s ASP 77 Ca 0.40 1.17 -0.10 0.00 0.18 0.00 0.00 52.55 54.20 3a2w s ASP 77 Cb 0.18 -2.06 0.07 0.00 1.07 0.00 0.00 42.92 42.18 3a2w s ASP 77 CO 0.31 -1.19 1.12 -0.94 1.18 0.00 0.00 175.17 175.65 3a2w s SER 78 N -4.31 4.68 0.55 0.27 1.04 -1.26 -3.76 113.70 110.91 3a2w s SER 78 Ca 0.57 0.71 0.33 0.00 0.48 0.00 0.00 55.95 58.03 3a2w s SER 78 Cb -0.11 -1.27 1.51 0.00 0.10 0.00 0.00 66.02 66.24 3a2w s SER 78 CO 0.52 -1.76 2.05 -0.37 0.98 0.00 0.00 173.24 174.65 3a2w h VAL 79 N -0.88 0.20 -0.06 5.02 -1.51 -1.94 -2.18 116.25 114.89 3a2w h VAL 79 Ca -0.45 -0.52 -0.25 0.00 -1.23 0.00 0.00 66.70 64.25 3a2w h VAL 79 Cb 1.32 1.43 0.02 0.00 -2.13 0.00 0.00 31.29 31.92 3a2w h VAL 79 CO 0.64 0.06 -0.94 -0.26 -1.23 0.00 0.00 177.57 175.84 3a2w h PHE 80 N 0.00 1.06 -0.30 5.19 -1.00 -1.99 -2.08 116.94 117.81 3a2w h PHE 80 Ca -0.00 -0.53 -0.14 0.00 2.81 0.00 0.00 57.97 60.11 3a2w h PHE 80 Cb 0.42 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 39.84 3a2w h PHE 80 CO 0.00 1.37 -0.38 0.77 -1.61 0.00 0.00 178.31 178.46 3a2w h SER 81 N 0.46 0.76 0.03 2.17 0.02 -1.91 -0.76 113.55 114.32 3a2w h SER 81 Ca -0.10 -0.34 0.01 0.00 -0.84 0.00 0.00 61.79 60.53 3a2w h SER 81 Cb 1.58 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.90 3a2w h SER 81 CO 0.19 1.06 -0.07 0.45 -1.14 0.00 0.00 176.83 177.31 3a2w h HIS 82 N 0.59 -0.19 -0.74 3.45 3.86 -1.32 0.16 115.15 120.96 3a2w h HIS 82 Ca 0.05 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.22 3a2w h HIS 82 Cb 0.92 0.08 -0.03 0.00 1.06 0.00 0.00 27.41 29.44 3a2w h HIS 82 CO 0.05 -0.12 0.28 0.82 0.86 0.00 0.00 177.93 179.82 3a2w h ILE 83 N -0.14 1.26 -0.39 2.45 2.04 -1.24 -0.23 117.51 121.25 3a2w h ILE 83 Ca 0.02 -0.83 -0.02 0.00 1.00 0.00 0.00 64.86 65.04 3a2w h ILE 83 Cb 0.16 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 3a2w h ILE 83 CO -0.06 0.33 0.17 0.11 0.00 0.00 0.00 178.15 178.71 3a2w h LYS 84 N 1.07 0.58 -0.69 2.37 1.79 -0.76 -1.13 116.57 119.80 3a2w h LYS 84 Ca 0.24 -0.10 -0.01 0.00 -2.18 0.00 0.00 60.65 58.60 3a2w h LYS 84 Cb 0.24 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 30.76 3a2w h LYS 84 CO -0.02 0.53 0.37 2.35 -1.08 0.00 0.00 179.45 181.61 3a2w h TRP 85 N 0.49 0.95 -0.81 -1.35 7.01 -0.41 0.00 115.95 121.84 3a2w h TRP 85 Ca 0.13 -0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.07 3a2w h TRP 85 Cb 0.16 -0.30 -0.04 0.00 -2.10 0.00 0.00 29.16 26.88 3a2w h TRP 85 CO -0.01 0.68 0.36 0.87 -2.79 0.00 0.00 178.44 177.56 3a2w h LYS 86 N 0.95 1.19 -0.60 2.65 1.57 -0.73 -0.12 116.57 121.47 3a2w h LYS 86 Ca 0.24 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 3a2w h LYS 86 Cb 0.05 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 3a2w h LYS 86 CO -0.04 0.93 0.20 0.93 -0.57 0.00 0.00 179.45 180.90 3a2w h GLU 87 N 1.17 0.92 -0.00 3.15 5.08 -0.62 -1.07 114.58 123.21 3a2w h GLU 87 Ca 0.28 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3a2w h GLU 87 Cb 0.16 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3a2w h GLU 87 CO -0.03 0.82 -0.02 2.35 -1.00 0.00 0.00 179.01 181.13 3a2w h TRP 88 N 0.85 -0.05 -0.04 4.33 7.01 -0.44 -1.01 115.95 126.60 3a2w h TRP 88 Ca 0.19 0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.23 3a2w h TRP 88 Cb 0.27 0.02 -0.04 0.00 -2.10 0.00 0.00 29.16 27.32 3a2w h TRP 88 CO 0.02 -0.03 -0.16 0.82 -2.79 0.00 0.00 178.44 176.29 3a2w h ILE 89 N -0.04 0.60 -0.88 2.65 2.04 -0.72 0.49 117.51 121.66 3a2w h ILE 89 Ca 0.01 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.88 3a2w h ILE 89 Cb 0.05 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 3a2w h ILE 89 CO -0.03 0.00 0.58 -0.08 0.00 0.00 0.00 178.15 178.62 3a2w h GLU 90 N -0.24 1.14 -0.08 2.37 4.81 -1.07 0.26 114.58 121.77 3a2w h GLU 90 Ca 0.06 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 3a2w h GLU 90 Cb 0.33 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 3a2w h GLU 90 CO -0.18 0.75 -0.04 -0.09 -0.73 0.00 0.00 179.01 178.72 3a2w h ARG 91 N 1.17 0.16 0.00 1.92 2.43 -0.77 -2.12 114.38 117.18 3a2w h ARG 91 Ca 0.33 -0.07 -0.26 0.00 -0.81 0.00 0.00 59.98 59.16 3a2w h ARG 91 Cb -0.11 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.39 3a2w h ARG 91 CO -0.08 0.54 -1.51 0.45 -1.51 0.00 0.00 179.97 177.86 3a2w h HIS 92 N -0.22 0.00 0.00 2.20 3.86 -0.84 -3.38 115.15 116.77 3a2w h HIS 92 Ca 0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3a2w h HIS 92 Cb 0.50 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.97 3a2w h HIS 92 CO 0.07 0.98 -1.74 -0.89 0.86 0.00 0.00 177.93 177.20 3a2w n ILE 93 N -3.11 0.00 -0.89 2.45 2.08 0.90 -4.96 119.36 115.83 3a2w n ILE 93 Ca -0.12 -0.39 0.00 0.00 0.56 0.00 0.00 62.75 62.80 3a2w n ILE 93 Cb 1.01 0.19 0.00 0.00 -0.75 0.00 0.00 39.64 40.09 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 1.42 0.52 3.29 7.39 0.00 -0.80 -4.95 105.19 112.06 3a2w n GLY 94 Ca -0.03 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.29 3a2w n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a2w s VAL 95 N -2.00 2.58 -0.22 1.61 1.01 -1.25 -4.98 120.40 117.16 3a2w s VAL 95 Ca 0.00 -0.83 -0.15 0.00 0.00 0.00 0.00 61.98 61.00 3a2w s VAL 95 Cb 0.00 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 3a2w s VAL 95 CO 0.00 0.54 0.35 -0.60 0.00 0.00 0.00 175.10 175.39 3a2w s ARG 96 N 0.39 4.14 -0.41 2.72 3.52 -1.26 -2.91 118.95 125.14 3a2w s ARG 96 Ca -0.14 0.09 -0.28 0.00 -0.13 0.00 0.00 55.73 55.27 3a2w s ARG 96 Cb -0.17 -3.55 0.02 0.00 -1.56 0.00 0.00 34.95 29.70 3a2w s ARG 96 CO 0.07 -0.04 1.04 0.42 -0.81 0.00 0.00 175.30 175.98 3a2w s ILE 97 N 1.33 4.41 -0.94 4.11 -1.09 -1.26 -4.92 121.20 122.85 3a2w s ILE 97 Ca 0.16 1.30 0.26 0.00 -2.23 0.00 0.00 60.65 60.14 3a2w s ILE 97 Cb -0.15 -4.47 0.07 0.00 -1.58 0.00 0.00 42.46 36.33 3a2w s ILE 97 CO 0.07 -0.73 1.51 -0.81 -1.23 0.00 0.00 174.94 173.75 3a2w n PRO 98 N 7.24 0.05 -3.89 2.79 -0.04 -1.26 -4.95 135.00 134.94 3a2w n PRO 98 Ca 0.10 0.02 -0.21 0.00 -0.04 0.00 0.00 63.50 63.37 3a2w n PRO 98 Cb 0.48 -1.54 -0.03 0.00 -0.04 0.00 0.00 33.50 32.38 3a2w n PRO 98 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3a2w s PHE 99 N -3.03 3.17 0.56 0.54 -0.12 -1.26 -5.10 117.98 112.74 3a2w s PHE 99 Ca 0.11 -0.14 -0.15 0.00 -0.05 0.00 0.00 56.93 56.69 3a2w s PHE 99 Cb 0.17 -1.64 -0.06 0.00 -0.63 0.00 0.00 43.02 40.87 3a2w s PHE 99 CO 0.67 0.33 1.02 -1.25 -0.05 0.00 0.00 175.22 175.94 3a2w s PRO 100 N -3.97 3.65 -0.09 1.99 0.04 -1.26 -4.91 135.00 130.44 3a2w s PRO 100 Ca 0.37 1.02 0.03 0.00 0.04 0.00 0.00 61.00 62.46 3a2w s PRO 100 Cb -0.08 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.38 3a2w s PRO 100 CO 0.28 -0.52 -0.19 0.42 0.04 0.00 0.00 177.00 177.03 3a2w s ILE 101 N -2.64 1.66 0.26 0.56 1.01 -1.26 -0.83 121.20 119.95 3a2w s ILE 101 Ca 0.60 -0.78 -0.30 0.00 0.00 0.00 0.00 60.65 60.18 3a2w s ILE 101 Cb -0.12 -1.46 -0.09 0.00 0.01 0.00 0.00 42.46 40.79 3a2w s ILE 101 CO 0.36 0.47 1.02 -0.63 0.00 0.00 0.00 174.94 176.16 3a2w s ILE 102 N 0.56 3.79 -0.40 2.92 1.01 0.28 -2.23 121.20 127.13 3a2w s ILE 102 Ca -0.15 1.79 -0.08 0.00 0.00 0.00 0.00 60.65 62.21 3a2w s ILE 102 Cb -0.17 -4.13 0.07 0.00 0.01 0.00 0.00 42.46 38.24 3a2w s ILE 102 CO 0.05 0.42 0.21 0.00 0.00 0.00 0.00 174.94 175.62 3a2w s ALA 103 N -1.19 3.21 -0.74 9.38 0.00 0.10 -2.63 121.76 129.90 3a2w s ALA 103 Ca 0.43 -2.11 0.03 0.00 0.00 0.00 0.00 51.96 50.31 3a2w s ALA 103 Cb -0.29 -2.52 0.31 0.00 0.00 0.00 0.00 23.12 20.62 3a2w s ALA 103 CO 0.36 -1.60 1.12 -3.47 0.00 0.00 0.00 175.76 172.18 3a2w n ASP 104 N 4.84 5.07 -0.32 0.00 2.03 -0.64 -4.57 116.55 122.96 3a2w n ASP 104 Ca -0.10 -3.59 0.16 0.00 0.52 0.00 0.00 54.79 51.79 3a2w n ASP 104 Cb 0.43 -0.79 0.36 0.00 -0.72 0.00 0.00 41.12 40.40 3a2w n ASP 104 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3a2w h PRO 105 N 3.84 0.40 -0.60 -0.67 0.11 -1.77 -1.49 132.00 131.83 3a2w h PRO 105 Ca 0.23 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.32 3a2w h PRO 105 Cb 0.53 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.54 3a2w h PRO 105 CO 0.96 0.27 0.00 1.04 -0.21 0.00 0.00 178.00 180.05 3a2w n GLN 106 N -5.02 2.54 -1.10 1.05 1.13 -1.26 -4.92 117.38 109.80 3a2w n GLN 106 Ca 0.25 -2.15 -0.04 0.00 -1.94 0.00 0.00 57.00 53.12 3a2w n GLN 106 Cb 0.75 -1.53 -0.02 0.00 0.11 0.00 0.00 30.24 29.56 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 1.33 0.52 0.47 1.08 0.00 -0.56 -4.90 105.19 103.13 3a2w n GLY 107 Ca 0.20 -0.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 3a2w n GLY 107 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3a2w h THR 108 N 0.00 0.00 -0.14 2.61 2.02 -1.91 0.20 112.91 115.68 3a2w h THR 108 Ca -0.07 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.11 3a2w h THR 108 Cb 0.68 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 3a2w h THR 108 CO 0.11 0.00 0.08 0.58 0.37 0.00 0.00 175.52 176.66 3a2w h VAL 109 N -0.82 1.02 -0.82 3.16 2.07 -1.90 -2.14 116.25 116.83 3a2w h VAL 109 Ca -0.03 -0.06 0.17 0.00 0.82 0.00 0.00 66.70 67.60 3a2w h VAL 109 Cb 0.77 0.83 -0.11 0.00 -1.52 0.00 0.00 31.29 31.26 3a2w h VAL 109 CO -0.18 0.03 0.34 0.00 0.02 0.00 0.00 177.57 177.78 3a2w h ALA 110 N 1.06 1.20 -0.48 1.67 0.00 -1.85 -0.82 119.26 120.04 3a2w h ALA 110 Ca 0.05 0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 3a2w h ALA 110 Cb -0.01 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3a2w h ALA 110 CO -0.02 -0.23 -0.14 0.00 0.00 0.00 0.00 179.25 178.85 3a2w h ARG 111 N 0.45 0.95 0.00 0.00 3.08 -0.63 0.35 114.38 118.58 3a2w h ARG 111 Ca 0.47 -0.37 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 3a2w h ARG 111 Cb 0.77 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.76 3a2w h ARG 111 CO -0.44 1.04 -0.16 0.00 -1.07 0.00 0.00 179.97 179.33 3a2w h ARG 112 N 0.80 0.00 -0.14 0.04 3.08 -0.55 -2.47 114.38 115.13 3a2w h ARG 112 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3a2w h ARG 112 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.75 3a2w h ARG 112 CO 0.05 0.16 0.00 1.28 -1.07 0.00 0.00 179.97 180.39 3a2w n LEU 113 N -3.63 2.95 -3.58 3.04 4.77 -0.44 -4.40 117.00 115.72 3a2w n LEU 113 Ca -0.01 -1.18 -0.23 0.00 -0.03 0.00 0.00 56.01 54.56 3a2w n LEU 113 Cb 0.29 -0.08 0.08 0.00 -2.33 0.00 0.00 43.42 41.38 3a2w n LEU 113 CO 0.31 0.56 0.20 0.61 -1.33 0.00 0.00 177.39 177.74 3a2w n GLY 114 N 1.24 -0.49 0.06 -0.72 0.00 0.47 -4.54 105.19 101.20 3a2w n GLY 114 Ca 0.14 0.21 0.12 0.00 0.00 0.00 0.00 46.02 46.50 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 -4.76 0.63 -4.52 0.99 4.77 0.94 -4.76 117.00 110.29 3a2w n LEU 115 Ca -0.07 -0.07 -0.42 0.00 -0.03 0.00 0.00 56.01 55.43 3a2w n LEU 115 Cb 0.59 -0.22 -0.09 0.00 -2.33 0.00 0.00 43.42 41.37 3a2w n LEU 115 CO 0.65 0.14 0.03 -0.76 -1.33 0.00 0.00 177.39 176.12 3a2w s LEU 116 N -2.87 4.64 0.00 2.23 1.43 -1.26 -1.36 118.68 121.49 3a2w s LEU 116 Ca 0.15 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.82 3a2w s LEU 116 Cb 0.18 -2.32 0.02 0.00 0.03 0.00 0.00 46.19 44.10 3a2w s LEU 116 CO 0.65 -0.41 0.18 1.41 0.23 0.00 0.00 176.35 178.41 3a2w n HIS 117 N 5.40 -0.90 0.27 0.29 8.25 -1.25 -5.01 115.22 122.27 3a2w n HIS 117 Ca -0.09 -1.13 0.13 0.00 -0.26 0.00 0.00 57.72 56.37 3a2w n HIS 117 Cb 0.49 -0.21 0.78 0.00 1.12 0.00 0.00 29.99 32.16 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 0.76 1.40 0.30 -1.41 0.00 -1.98 -3.12 119.26 115.22 3a2w h ALA 118 Ca -0.17 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 3a2w h ALA 118 Cb 0.61 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3a2w h ALA 118 CO 0.27 0.10 -0.50 0.93 0.00 0.00 0.00 179.25 180.05 3a2w h GLU 119 N 0.00 -0.82 -4.38 0.00 5.08 -1.96 -3.43 114.58 109.07 3a2w h GLU 119 Ca -0.00 0.06 -0.41 0.00 -1.00 0.00 0.00 59.36 58.00 3a2w h GLU 119 Cb 0.21 0.19 -0.32 0.00 0.50 0.00 0.00 28.75 29.34 3a2w h GLU 119 CO 0.01 -0.55 -0.78 0.45 -1.00 0.00 0.00 179.01 177.14 3a2w s SER 120 N -4.42 1.06 0.08 1.42 0.15 -1.18 -5.01 113.70 105.81 3a2w s SER 120 Ca -0.16 -0.16 0.25 0.00 0.70 0.00 0.00 55.95 56.58 3a2w s SER 120 Cb 0.05 -0.35 0.55 0.00 -1.71 0.00 0.00 66.02 64.56 3a2w s SER 120 CO 0.58 0.03 1.47 0.00 1.20 0.00 0.00 173.24 176.52 3a2w n ALA 121 N 3.49 2.95 -0.08 5.45 0.00 -1.26 -3.95 120.51 127.11 3a2w n ALA 121 Ca -0.20 -0.23 -0.06 0.00 0.00 0.00 0.00 53.44 52.95 3a2w n ALA 121 Cb 0.54 -1.23 -0.15 0.00 0.00 0.00 0.00 19.45 18.61 3a2w n ALA 121 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3a2w n THR 122 N -1.89 1.07 -4.91 0.00 -2.24 -1.26 -5.00 114.28 100.05 3a2w n THR 122 Ca 0.05 -0.73 -0.30 0.00 -2.27 0.00 0.00 64.05 60.80 3a2w n THR 122 Cb 0.40 -0.43 -0.15 0.00 -2.10 0.00 0.00 70.33 68.05 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 -2.58 2.26 0.69 4.78 4.02 -1.26 -4.90 115.29 118.30 3a2w s HIS 123 Ca -0.09 -0.41 -0.12 0.00 1.02 0.00 0.00 55.06 55.46 3a2w s HIS 123 Cb 0.06 -1.36 0.01 0.00 -1.02 0.00 0.00 32.58 30.27 3a2w s HIS 123 CO 0.76 0.11 1.07 0.95 1.02 0.00 0.00 174.74 178.64 3a2w s THR 124 N -0.78 3.85 0.00 1.30 -4.23 -1.26 -4.58 115.64 109.93 3a2w s THR 124 Ca 0.11 0.66 0.00 0.00 -1.18 0.00 0.00 61.69 61.28 3a2w s THR 124 Cb -0.10 -3.31 0.00 0.00 1.34 0.00 0.00 72.50 70.43 3a2w s THR 124 CO 0.02 -0.73 0.00 1.33 -0.54 0.00 0.00 174.62 174.70 3a2w n VAL 125 N -2.96 0.00 -3.10 2.29 0.24 -0.47 -3.37 118.33 110.96 3a2w n VAL 125 Ca 0.08 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.96 3a2w n VAL 125 Cb 0.53 -1.70 0.00 0.00 -1.47 0.00 0.00 33.84 31.20 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 -0.40 4.18 -2.05 7.34 1.74 -0.39 -3.92 116.66 123.17 3a2w n ARG 126 Ca 0.00 -4.54 -0.30 0.00 -0.77 0.00 0.00 57.85 52.24 3a2w n ARG 126 Cb 0.00 -2.50 0.02 0.00 -1.02 0.00 0.00 32.46 28.96 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 -1.18 1.62 -0.08 -0.13 0.00 -1.26 -1.71 107.32 104.59 3a2w s GLY 127 Ca 0.31 -0.31 -0.03 0.00 0.00 0.00 0.00 44.72 44.69 3a2w s GLY 127 CO 0.06 -0.02 0.14 0.14 0.00 0.00 0.00 173.10 173.42 3a2w s VAL 128 N -3.16 -0.23 -0.18 1.40 1.01 0.39 -1.87 120.40 117.77 3a2w s VAL 128 Ca 0.55 0.34 -0.02 0.00 0.00 0.00 0.00 61.98 62.85 3a2w s VAL 128 Cb -0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 36.38 35.97 3a2w s VAL 128 CO 0.51 0.13 -0.07 -0.36 0.00 0.00 0.00 175.10 175.31 3a2w s PHE 129 N 2.27 2.92 -0.37 5.22 0.40 0.17 -1.98 117.98 126.61 3a2w s PHE 129 Ca 0.04 -0.72 -0.09 0.00 -0.60 0.00 0.00 56.93 55.56 3a2w s PHE 129 Cb -0.12 -1.98 0.04 0.00 0.51 0.00 0.00 43.02 41.47 3a2w s PHE 129 CO -0.05 -0.33 0.17 0.42 0.70 0.00 0.00 175.22 176.13 3a2w s ILE 130 N 0.86 4.18 -0.08 0.64 1.01 -0.61 -1.17 121.20 126.02 3a2w s ILE 130 Ca -0.02 -1.07 0.01 0.00 0.00 0.00 0.00 60.65 59.57 3a2w s ILE 130 Cb -0.15 -3.38 -0.03 0.00 0.01 0.00 0.00 42.46 38.91 3a2w s ILE 130 CO 0.01 -0.26 -0.08 -0.69 0.00 0.00 0.00 174.94 173.92 3a2w s VAL 131 N 1.47 3.61 0.81 2.92 1.01 -0.41 0.44 120.40 130.25 3a2w s VAL 131 Ca 0.01 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 3a2w s VAL 131 Cb -0.20 -2.48 0.17 0.00 0.00 0.00 0.00 36.38 33.86 3a2w s VAL 131 CO 0.04 0.58 1.10 1.51 0.00 0.00 0.00 175.10 178.34 3a2w s ASP 132 N -0.62 3.85 0.00 3.32 1.47 -0.47 -1.14 116.67 123.09 3a2w s ASP 132 Ca 0.09 -0.36 0.05 0.00 1.18 0.00 0.00 52.55 53.51 3a2w s ASP 132 Cb -0.12 0.17 0.27 0.00 -0.34 0.00 0.00 42.92 42.91 3a2w s ASP 132 CO 0.02 -2.21 0.92 0.00 0.68 0.00 0.00 175.17 174.58 3a2w n ALA 133 N -3.12 1.52 0.82 2.11 0.00 -1.25 -0.44 120.51 120.15 3a2w n ALA 133 Ca 0.17 -0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.67 3a2w n ALA 133 Cb 0.60 -1.08 0.01 0.00 0.00 0.00 0.00 19.45 18.98 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 -1.19 1.55 -0.73 0.00 1.74 -1.26 -4.69 116.66 112.09 3a2w n ARG 134 Ca 0.03 -1.03 0.00 0.00 -0.77 0.00 0.00 57.85 56.08 3a2w n ARG 134 Cb 0.03 -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 1.22 0.58 3.68 -0.13 0.00 0.42 -4.97 105.19 106.00 3a2w n GLY 135 Ca 0.08 -0.49 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 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 5.28 0.17 1.61 1.01 -1.25 0.24 120.40 125.46 3a2w s VAL 136 Ca 0.00 0.50 -0.32 0.00 0.00 0.00 0.00 61.98 62.17 3a2w s VAL 136 Cb 0.00 -3.63 -0.10 0.00 0.00 0.00 0.00 36.38 32.64 3a2w s VAL 136 CO 0.00 0.32 1.59 -0.63 0.00 0.00 0.00 175.10 176.38 3a2w s ILE 137 N 1.00 2.51 -0.04 2.22 1.01 -0.44 -1.36 121.20 126.10 3a2w s ILE 137 Ca 0.15 0.37 0.07 0.00 0.00 0.00 0.00 60.65 61.23 3a2w s ILE 137 Cb -0.14 -3.23 -0.10 0.00 0.01 0.00 0.00 42.46 39.00 3a2w s ILE 137 CO 0.06 0.03 0.10 0.54 0.00 0.00 0.00 174.94 175.66 3a2w n ARG 138 N 3.94 1.46 -3.58 2.79 5.12 0.17 -1.53 116.66 125.03 3a2w n ARG 138 Ca 0.14 -0.04 -0.15 0.00 -1.93 0.00 0.00 57.85 55.87 3a2w n ARG 138 Cb 0.38 -1.17 -0.06 0.00 -1.16 0.00 0.00 32.46 30.44 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 -2.34 0.00 -0.03 0.55 2.01 -1.18 -4.90 115.64 109.74 3a2w s THR 139 Ca -0.03 0.00 0.02 0.00 0.31 0.00 0.00 61.69 61.99 3a2w s THR 139 Cb 0.03 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.55 3a2w s THR 139 CO 0.29 0.00 -0.07 -0.04 -0.69 0.00 0.00 174.62 174.10 3a2w s MET 140 N -0.40 0.95 -0.03 4.92 -1.94 -1.26 -1.58 119.30 119.95 3a2w s MET 140 Ca -0.05 -0.24 0.03 0.00 -1.71 0.00 0.00 55.69 53.73 3a2w s MET 140 Cb -0.03 -0.89 0.00 0.00 2.01 0.00 0.00 34.83 35.93 3a2w s MET 140 CO 0.05 0.04 -0.11 -0.51 -0.01 0.00 0.00 175.02 174.47 3a2w s LEU 141 N 0.47 1.79 -0.37 -0.03 1.43 -0.84 -4.98 118.68 116.15 3a2w s LEU 141 Ca -0.07 -0.24 0.03 0.00 -1.03 0.00 0.00 54.13 52.82 3a2w s LEU 141 Cb -0.11 -0.67 0.11 0.00 0.03 0.00 0.00 46.19 45.54 3a2w s LEU 141 CO 0.01 0.08 0.12 -0.31 0.23 0.00 0.00 176.35 176.47 3a2w s TYR 142 N 0.21 3.04 0.35 0.29 1.51 -1.26 -0.46 117.35 121.03 3a2w s TYR 142 Ca -0.04 -2.70 -0.03 0.00 -1.01 0.00 0.00 57.07 53.28 3a2w s TYR 142 Cb -0.10 -2.54 -0.04 0.00 -0.11 0.00 0.00 41.96 39.17 3a2w s TYR 142 CO 0.01 -0.88 0.61 0.71 -1.11 0.00 0.00 175.55 174.89 3a2w s TYR 143 N 0.80 3.50 0.70 2.71 1.51 -0.69 -4.96 117.35 120.91 3a2w s TYR 143 Ca 0.12 0.60 -0.03 0.00 -1.01 0.00 0.00 57.07 56.75 3a2w s TYR 143 Cb -0.20 -2.09 0.14 0.00 -0.11 0.00 0.00 41.96 39.70 3a2w s TYR 143 CO -0.10 0.05 0.95 -0.35 -1.11 0.00 0.00 175.55 175.00 3a2w n PRO 144 N -1.49 -0.25 -0.30 -1.71 -0.04 -1.26 -1.26 135.00 128.68 3a2w n PRO 144 Ca -0.02 -2.32 -0.05 0.00 -0.04 0.00 0.00 63.50 61.07 3a2w n PRO 144 Cb 0.55 -0.71 0.08 0.00 -0.04 0.00 0.00 33.50 33.38 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 1.21 0.00 0.54 2.86 -1.95 -3.16 114.93 114.43 3a2w h MET 145 Ca -0.31 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.14 3a2w h MET 145 Cb 1.09 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.54 3a2w h MET 145 CO 0.31 0.94 -0.24 -0.85 1.06 0.00 0.00 176.91 178.12 3a2w n GLU 146 N -4.30 0.03 -4.28 1.72 0.00 -1.26 -4.82 120.64 107.72 3a2w n GLU 146 Ca 0.08 0.02 -0.34 0.00 0.00 0.00 0.00 57.16 56.92 3a2w n GLU 146 Cb 0.15 -1.53 -0.15 0.00 0.00 0.00 0.00 31.44 29.91 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 -3.14 2.48 0.33 -1.84 0.20 -1.19 -5.10 118.68 110.41 3a2w s LEU 147 Ca 0.12 -0.50 -0.24 0.00 0.69 0.00 0.00 54.13 54.21 3a2w s LEU 147 Cb 0.18 -1.58 -0.10 0.00 -0.43 0.00 0.00 46.19 44.26 3a2w s LEU 147 CO 0.62 0.04 0.91 -0.83 -0.29 0.00 0.00 176.35 176.79 3a2w s GLY 148 N 1.08 2.68 0.85 7.98 0.00 -1.26 -4.47 107.32 114.17 3a2w s GLY 148 Ca -0.00 0.43 -0.11 0.00 0.00 0.00 0.00 44.72 45.04 3a2w s GLY 148 CO -0.04 0.82 1.09 0.50 0.00 0.00 0.00 173.10 175.47 3a2w s ARG 149 N -2.30 1.65 -0.70 2.90 0.52 -1.26 -5.00 118.95 114.76 3a2w s ARG 149 Ca 0.52 1.01 -0.09 0.00 -0.52 0.00 0.00 55.73 56.65 3a2w s ARG 149 Cb -0.16 -1.84 0.18 0.00 0.52 0.00 0.00 34.95 33.65 3a2w s ARG 149 CO 0.21 -2.02 0.58 -1.17 0.02 0.00 0.00 175.30 172.92 3a2w s LEU 150 N -6.12 5.97 0.51 2.53 2.96 -1.26 -4.96 118.68 118.32 3a2w s LEU 150 Ca 0.63 -2.70 0.25 0.00 -0.22 0.00 0.00 54.13 52.08 3a2w s LEU 150 Cb -0.18 -2.03 1.35 0.00 0.50 0.00 0.00 46.19 45.83 3a2w s LEU 150 CO 0.57 -0.49 1.96 0.58 -1.32 0.00 0.00 176.35 177.64 3a2w h VAL 151 N 5.12 0.71 0.00 1.68 2.07 -1.96 -1.67 116.25 122.20 3a2w h VAL 151 Ca 0.02 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3a2w h VAL 151 Cb 1.00 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 3a2w h VAL 151 CO 0.75 0.01 -0.05 0.44 0.02 0.00 0.00 177.57 178.74 3a2w h ASP 152 N 0.08 0.00 0.78 0.57 3.32 -1.92 -2.22 116.42 117.02 3a2w h ASP 152 Ca 0.31 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.19 3a2w h ASP 152 Cb 1.13 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.66 3a2w h ASP 152 CO -0.03 0.05 -0.81 -0.08 -1.72 0.00 0.00 179.24 176.66 3a2w h GLU 153 N 0.00 0.02 -0.15 3.56 4.57 -1.67 -2.09 114.58 118.82 3a2w h GLU 153 Ca -0.00 -0.02 -0.11 0.00 -1.18 0.00 0.00 59.36 58.05 3a2w h GLU 153 Cb 0.43 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 3a2w h GLU 153 CO 0.01 0.82 -0.39 0.82 -1.18 0.00 0.00 179.01 179.08 3a2w h ILE 154 N 0.01 1.30 -0.24 2.32 2.04 -1.49 0.50 117.51 121.95 3a2w h ILE 154 Ca -0.01 -1.50 -0.16 0.00 1.00 0.00 0.00 64.86 64.19 3a2w h ILE 154 Cb 1.43 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 39.13 3a2w h ILE 154 CO 0.11 0.46 -0.46 -0.07 0.00 0.00 0.00 178.15 178.18 3a2w h LEU 155 N 0.28 0.82 -1.08 1.44 3.38 -1.40 -2.28 115.31 116.47 3a2w h LEU 155 Ca 0.03 -0.54 -0.04 0.00 0.09 0.00 0.00 57.88 57.42 3a2w h LEU 155 Cb 0.81 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 3a2w h LEU 155 CO 0.06 1.21 0.23 -0.09 0.09 0.00 0.00 178.44 179.95 3a2w h ARG 156 N 0.47 0.88 0.38 1.13 2.43 -1.00 -1.34 114.38 117.34 3a2w h ARG 156 Ca 0.01 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.02 3a2w h ARG 156 Cb 1.07 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 3a2w h ARG 156 CO 0.10 0.73 -0.18 0.82 -1.51 0.00 0.00 179.97 179.93 3a2w h ILE 157 N 0.87 0.61 -0.41 1.20 2.04 -0.81 -0.32 117.51 120.68 3a2w h ILE 157 Ca 0.20 -0.39 0.02 0.00 1.00 0.00 0.00 64.86 65.69 3a2w h ILE 157 Cb 0.18 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 3a2w h ILE 157 CO -0.02 0.07 0.25 -0.37 0.00 0.00 0.00 178.15 178.09 3a2w h VAL 158 N -0.75 1.05 -0.14 1.67 -1.51 -1.27 0.73 116.25 116.04 3a2w h VAL 158 Ca -0.05 -0.17 0.03 0.00 -1.23 0.00 0.00 66.70 65.28 3a2w h VAL 158 Cb 0.51 0.50 -0.03 0.00 -2.13 0.00 0.00 31.29 30.14 3a2w h VAL 158 CO 0.09 0.09 -0.08 0.50 -1.23 0.00 0.00 177.57 176.94 3a2w h LYS 159 N 0.51 -0.07 -0.76 5.19 1.63 -1.25 0.85 116.57 122.67 3a2w h LYS 159 Ca 0.16 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.98 3a2w h LYS 159 Cb -0.00 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.60 3a2w h LYS 159 CO -0.07 -0.04 0.50 0.00 -3.45 0.00 0.00 179.45 176.39 3a2w h ALA 160 N 1.05 0.97 0.07 5.00 0.00 -0.65 -0.02 119.26 125.68 3a2w h ALA 160 Ca 0.08 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3a2w h ALA 160 Cb 0.19 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3a2w h ALA 160 CO -0.18 0.37 -0.03 -0.07 0.00 0.00 0.00 179.25 179.33 3a2w h LEU 161 N 1.02 -0.08 -0.70 0.00 4.07 -0.30 0.56 115.31 119.89 3a2w h LEU 161 Ca 0.28 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.23 3a2w h LEU 161 Cb -0.10 0.02 -0.03 0.00 1.08 0.00 0.00 40.66 41.63 3a2w h LEU 161 CO -0.07 -0.04 0.43 0.11 -1.08 0.00 0.00 178.44 177.79 3a2w h LYS 162 N -0.10 0.95 -0.03 1.13 1.57 -0.50 0.34 116.57 119.92 3a2w h LYS 162 Ca -0.01 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3a2w h LYS 162 Cb 0.08 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 3a2w h LYS 162 CO 0.02 0.67 0.01 -0.07 -0.57 0.00 0.00 179.45 179.51 3a2w h LEU 163 N 0.95 0.04 -0.98 2.94 3.38 -0.79 -1.70 115.31 119.15 3a2w h LEU 163 Ca 0.25 -0.14 0.08 0.00 0.09 0.00 0.00 57.88 58.16 3a2w h LEU 163 Cb -0.04 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.63 3a2w h LEU 163 CO -0.05 0.18 0.62 1.23 0.09 0.00 0.00 178.44 180.51 3a2w h GLY 164 N -0.09 1.51 0.86 0.83 0.00 -0.63 0.91 103.07 106.47 3a2w h GLY 164 Ca 0.01 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 3a2w h GLY 164 CO -0.00 0.28 0.03 -0.55 0.00 0.00 0.00 176.54 176.30 3a2w h ASP 165 N 1.10 0.08 0.19 0.19 3.32 -0.62 0.79 116.42 121.46 3a2w h ASP 165 Ca 0.44 -0.15 -0.23 0.00 0.02 0.00 0.00 57.03 57.11 3a2w h ASP 165 Cb 0.24 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 39.78 3a2w h ASP 165 CO -0.20 0.21 -0.91 0.77 -1.72 0.00 0.00 179.24 177.40 3a2w h SER 166 N -0.05 0.66 0.49 6.45 4.64 -0.93 -3.21 113.55 121.59 3a2w h SER 166 Ca 0.02 -0.50 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3a2w h SER 166 Cb 0.15 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3a2w h SER 166 CO -0.00 1.29 -0.13 0.18 -0.87 0.00 0.00 176.83 177.30 3a2w n LEU 167 N -3.81 0.36 -3.50 5.97 4.32 0.28 -4.93 117.00 115.69 3a2w n LEU 167 Ca -0.07 0.10 -0.18 0.00 -0.02 0.00 0.00 56.01 55.84 3a2w n LEU 167 Cb 0.81 -0.25 0.07 0.00 -1.62 0.00 0.00 43.42 42.44 3a2w n LEU 167 CO 0.52 0.07 0.05 0.29 -1.22 0.00 0.00 177.39 177.10 3a2w n LYS 168 N -1.13 -5.88 -4.20 3.23 5.02 0.16 -5.01 118.16 110.36 3a2w n LYS 168 Ca 0.12 0.78 -0.15 0.00 -2.02 0.00 0.00 58.31 57.05 3a2w n LYS 168 Cb 0.29 -5.65 -0.11 0.00 -0.02 0.00 0.00 35.03 29.55 3a2w n LYS 168 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3a2w s ARG 169 N -5.51 0.91 0.12 1.97 1.81 -0.56 -4.57 118.95 113.12 3a2w s ARG 169 Ca 0.02 -1.23 -0.01 0.00 -1.72 0.00 0.00 55.73 52.79 3a2w s ARG 169 Cb -0.00 -0.58 -0.05 0.00 -0.45 0.00 0.00 34.95 33.87 3a2w s ARG 169 CO 0.76 0.09 0.30 0.00 -0.68 0.00 0.00 175.30 175.77 3a2w s ALA 170 N -2.60 3.90 -0.23 2.13 0.00 0.48 -4.41 121.76 121.03 3a2w s ALA 170 Ca 0.08 -0.76 -0.07 0.00 0.00 0.00 0.00 51.96 51.21 3a2w s ALA 170 Cb -0.02 -1.95 -0.03 0.00 0.00 0.00 0.00 23.12 21.12 3a2w s ALA 170 CO 0.00 0.68 0.06 0.08 0.00 0.00 0.00 175.76 176.58 3a2w s VAL 171 N -1.64 4.31 0.97 0.00 1.01 -1.26 -0.73 120.40 123.06 3a2w s VAL 171 Ca 0.38 -0.18 -0.11 0.00 0.00 0.00 0.00 61.98 62.06 3a2w s VAL 171 Cb -0.12 -3.00 0.17 0.00 0.00 0.00 0.00 36.38 33.43 3a2w s VAL 171 CO 0.27 0.36 1.09 -2.16 0.00 0.00 0.00 175.10 174.66 3a2w s PRO 172 N 1.39 0.66 0.36 2.72 0.04 -1.26 -4.95 135.00 133.96 3a2w s PRO 172 Ca 0.05 1.02 -0.28 0.00 0.04 0.00 0.00 61.00 61.83 3a2w s PRO 172 Cb -0.15 -1.72 -0.11 0.00 0.04 0.00 0.00 34.50 32.56 3a2w s PRO 172 CO 0.03 -2.71 1.46 0.00 0.04 0.00 0.00 177.00 175.82 3a2w s ALA 173 N -2.74 3.57 -0.87 8.56 0.00 -1.26 -2.66 121.76 126.36 3a2w s ALA 173 Ca 0.65 1.52 0.00 0.00 0.00 0.00 0.00 51.96 54.13 3a2w s ALA 173 Cb -0.21 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.32 3a2w s ALA 173 CO 0.59 -0.98 0.00 -0.25 0.00 0.00 0.00 175.76 175.12 3a2w n ASP 174 N 0.61 -5.48 -4.65 0.00 8.00 -1.26 -4.02 116.55 109.75 3a2w n ASP 174 Ca 0.01 0.20 -0.40 0.00 0.71 0.00 0.00 54.79 55.31 3a2w n ASP 174 Cb 0.40 -3.70 0.02 0.00 -0.02 0.00 0.00 41.12 37.82 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 -2.26 1.52 1.67 1.24 -0.00 -1.09 0.11 117.44 118.63 3a2w n TRP 175 Ca -0.08 0.50 0.01 0.00 -0.00 0.00 0.00 57.50 57.92 3a2w n TRP 175 Cb 0.52 -2.27 0.02 0.00 -0.00 0.00 0.00 31.31 29.58 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 -0.25 1.12 -2.32 5.87 -0.04 -1.26 -4.89 135.00 133.22 3a2w n PRO 176 Ca 0.09 -0.15 -0.29 0.00 -0.04 0.00 0.00 63.50 63.11 3a2w n PRO 176 Cb 0.42 -1.14 0.01 0.00 -0.04 0.00 0.00 33.50 32.75 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 -0.30 5.32 -4.74 3.54 3.02 0.12 -2.98 115.26 119.24 3a2w n ASN 177 Ca 0.01 -3.75 -0.41 0.00 -0.03 0.00 0.00 54.58 50.40 3a2w n ASN 177 Cb 0.09 -0.58 -0.03 0.00 -0.61 0.00 0.00 39.78 38.65 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 -3.04 6.86 0.44 6.41 3.84 -0.52 -4.87 114.94 124.06 3a2w s ASN 178 Ca 0.49 2.46 0.11 0.00 0.21 0.00 0.00 52.86 56.13 3a2w s ASN 178 Cb 0.41 -2.62 0.96 0.00 -0.55 0.00 0.00 41.25 39.45 3a2w s ASN 178 CO -0.22 -0.54 2.03 -0.33 -2.79 0.00 0.00 177.10 175.25 3a2w h GLU 179 N 5.10 0.24 0.00 0.43 3.07 -1.88 0.12 114.58 121.65 3a2w h GLU 179 Ca -0.45 -0.03 -0.08 0.00 -0.50 0.00 0.00 59.36 58.30 3a2w h GLU 179 Cb 1.22 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 29.07 3a2w h GLU 179 CO 0.76 0.25 -0.55 0.82 -1.40 0.00 0.00 179.01 178.89 3a2w h ILE 180 N 0.24 0.69 0.00 3.13 2.04 -1.94 -3.41 117.51 118.26 3a2w h ILE 180 Ca 0.06 -1.68 0.00 0.00 1.00 0.00 0.00 64.86 64.24 3a2w h ILE 180 Cb 0.14 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 3a2w h ILE 180 CO 0.00 0.23 -0.03 2.30 0.00 0.00 0.00 178.15 180.66 3a2w n ILE 181 N -4.59 1.61 0.00 -0.67 -0.00 -1.25 -5.08 119.36 109.39 3a2w n ILE 181 Ca -0.15 -1.91 0.00 0.00 -0.00 0.00 0.00 62.75 60.70 3a2w n ILE 181 Cb 0.40 -0.06 0.00 0.00 -0.00 0.00 0.00 39.64 39.98 3a2w n ILE 181 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3a2w n GLY 182 N -1.19 1.07 1.06 3.28 0.00 0.40 -0.94 105.19 108.88 3a2w n GLY 182 Ca 0.12 0.52 0.11 0.00 0.00 0.00 0.00 46.02 46.77 3a2w n GLY 182 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3a2w n GLU 183 N 0.00 2.37 -1.29 1.61 0.28 -1.16 -1.43 120.64 121.02 3a2w n GLU 183 Ca 0.00 -2.09 -0.32 0.00 -0.16 0.00 0.00 57.16 54.59 3a2w n GLU 183 Cb 0.00 -1.49 0.10 0.00 1.43 0.00 0.00 31.44 31.48 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 -1.32 1.96 0.04 -1.84 0.00 -0.11 -4.88 107.32 101.16 3a2w s GLY 184 Ca 0.39 0.57 0.08 0.00 0.00 0.00 0.00 44.72 45.76 3a2w s GLY 184 CO 0.30 0.95 -0.23 1.08 0.00 0.00 0.00 173.10 175.19 3a2w s LEU 185 N -5.64 2.34 0.02 0.66 1.43 -0.42 -4.63 118.68 112.45 3a2w s LEU 185 Ca 0.67 -0.52 -0.22 0.00 -1.03 0.00 0.00 54.13 53.03 3a2w s LEU 185 Cb -0.22 -1.38 -0.06 0.00 0.03 0.00 0.00 46.19 44.56 3a2w s LEU 185 CO 0.50 0.26 0.65 -0.63 0.23 0.00 0.00 176.35 177.37 3a2w s ILE 186 N -0.84 4.82 -0.05 -0.59 1.01 0.10 -2.01 121.20 123.64 3a2w s ILE 186 Ca 0.13 1.38 -0.28 0.00 0.00 0.00 0.00 60.65 61.88 3a2w s ILE 186 Cb -0.10 -4.00 -0.03 0.00 0.01 0.00 0.00 42.46 38.35 3a2w s ILE 186 CO 0.03 0.41 0.91 -0.69 0.00 0.00 0.00 174.94 175.61 3a2w s VAL 187 N -0.24 4.89 -0.07 2.92 1.01 -0.28 -0.39 120.40 128.24 3a2w s VAL 187 Ca 0.33 1.89 -0.36 0.00 0.00 0.00 0.00 61.98 63.84 3a2w s VAL 187 Cb -0.19 -4.24 -0.14 0.00 0.00 0.00 0.00 36.38 31.80 3a2w s VAL 187 CO 0.19 0.13 1.69 -2.65 0.00 0.00 0.00 175.10 174.47 3a2w n PRO 188 N 4.24 1.68 -1.62 2.72 -0.02 -1.26 -4.63 135.00 136.11 3a2w n PRO 188 Ca 0.05 0.61 -0.44 0.00 -2.02 0.00 0.00 63.50 61.70 3a2w n PRO 188 Cb 0.50 -2.36 -0.02 0.00 -0.02 0.00 0.00 33.50 31.61 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 4.96 1.56 -2.18 0.52 -0.02 -1.26 -4.96 135.00 133.62 3a2w n PRO 189 Ca 0.22 0.55 -0.37 0.00 -2.02 0.00 0.00 63.50 61.88 3a2w n PRO 189 Cb 0.22 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 3a2w n PRO 189 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3a2w s PRO 190 N -1.45 3.57 0.00 0.52 0.04 -1.26 -4.93 135.00 131.48 3a2w s PRO 190 Ca 0.60 1.82 0.14 0.00 0.04 0.00 0.00 61.00 63.59 3a2w s PRO 190 Cb -0.68 -2.30 0.05 0.00 0.04 0.00 0.00 34.50 31.61 3a2w s PRO 190 CO 0.59 -0.72 0.85 0.25 0.04 0.00 0.00 177.00 178.01 3a2w n THR 191 N -0.74 0.00 -4.31 1.26 -2.24 -1.26 -4.83 114.28 102.15 3a2w n THR 191 Ca 0.09 -0.43 -0.17 0.00 -2.27 0.00 0.00 64.05 61.27 3a2w n THR 191 Cb 0.48 1.22 -0.10 0.00 -2.10 0.00 0.00 70.33 69.83 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 -1.40 1.33 0.26 4.28 -4.23 -1.26 -5.04 115.64 109.59 3a2w s THR 192 Ca 0.14 -2.10 -0.03 0.00 -1.18 0.00 0.00 61.69 58.52 3a2w s THR 192 Cb 0.11 -2.08 0.14 0.00 1.34 0.00 0.00 72.50 72.01 3a2w s THR 192 CO 0.25 -0.56 1.79 -0.33 -0.54 0.00 0.00 174.62 175.24 3a2w h GLU 193 N 2.59 0.90 -0.42 3.99 5.08 -1.99 -0.88 114.58 123.85 3a2w h GLU 193 Ca -0.38 -0.20 -0.10 0.00 -1.00 0.00 0.00 59.36 57.69 3a2w h GLU 193 Cb 1.21 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 3a2w h GLU 193 CO 0.64 0.81 -0.15 -0.44 -1.00 0.00 0.00 179.01 178.86 3a2w h ASP 194 N 0.86 0.78 -0.03 1.42 3.32 -1.99 -0.94 116.42 119.84 3a2w h ASP 194 Ca 0.18 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 3a2w h ASP 194 Cb 0.33 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 3a2w h ASP 194 CO 0.00 0.94 0.00 1.56 -1.72 0.00 0.00 179.24 180.02 3a2w h GLN 195 N 0.69 0.06 -0.28 3.56 4.20 -1.85 -1.17 115.11 120.32 3a2w h GLN 195 Ca 0.11 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.84 3a2w h GLN 195 Cb 0.65 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.39 3a2w h GLN 195 CO 0.05 0.33 0.08 0.00 -0.67 0.00 0.00 178.83 178.61 3a2w h ALA 196 N 0.73 0.31 -0.25 3.87 0.00 -1.07 0.35 119.26 123.20 3a2w h ALA 196 Ca 0.01 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.02 3a2w h ALA 196 Cb 0.30 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 3a2w h ALA 196 CO 0.00 -0.33 -0.23 -0.09 0.00 0.00 0.00 179.25 178.61 3a2w h ARG 197 N 0.20 -0.22 -0.26 0.00 9.65 -1.09 -1.92 114.38 120.74 3a2w h ARG 197 Ca 0.13 0.01 -0.10 0.00 -1.10 0.00 0.00 59.98 58.92 3a2w h ARG 197 Cb 0.11 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.73 3a2w h ARG 197 CO -0.15 -0.15 -0.25 0.00 2.80 0.00 0.00 179.97 182.23 3a2w h ALA 198 N 0.85 1.08 -0.59 2.80 0.00 -0.61 -1.82 119.26 120.96 3a2w h ALA 198 Ca 0.14 -0.35 0.06 0.00 0.00 0.00 0.00 54.91 54.77 3a2w h ALA 198 Cb 0.44 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 3a2w h ALA 198 CO -0.38 0.56 0.28 -0.09 0.00 0.00 0.00 179.25 179.63 3a2w h ARG 199 N 0.44 0.51 -0.18 0.00 9.65 0.43 0.25 114.38 125.48 3a2w h ARG 199 Ca 0.06 -0.03 -0.11 0.00 -1.10 0.00 0.00 59.98 58.80 3a2w h ARG 199 Cb 0.68 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.14 3a2w h ARG 199 CO 0.05 0.34 -0.33 0.52 2.80 0.00 0.00 179.97 183.34 3a2w h MET 200 N 0.53 0.54 -0.60 0.20 2.86 -1.27 -2.98 114.93 114.21 3a2w h MET 200 Ca 0.27 -0.34 0.01 0.00 -2.06 0.00 0.00 59.70 57.58 3a2w h MET 200 Cb 0.23 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 3a2w h MET 200 CO -0.21 0.95 0.40 0.93 1.06 0.00 0.00 176.91 180.04 3a2w h GLU 201 N 0.20 0.77 -0.75 1.72 5.08 -0.88 -1.70 114.58 119.02 3a2w h GLU 201 Ca 0.01 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 3a2w h GLU 201 Cb 0.93 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 3a2w h GLU 201 CO 0.07 0.51 0.26 0.66 -1.00 0.00 0.00 179.01 179.51 3a2w h SER 202 N 0.80 1.07 -3.59 1.42 4.64 -0.49 -3.46 113.55 113.95 3a2w h SER 202 Ca 0.22 -0.20 -0.28 0.00 -0.47 0.00 0.00 61.79 61.07 3a2w h SER 202 Cb -0.07 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.72 3a2w h SER 202 CO -0.05 0.98 -0.35 0.61 -0.87 0.00 0.00 176.83 177.15 3a2w n GLY 203 N -0.79 -0.43 0.08 -0.77 0.00 -0.64 -4.83 105.19 97.81 3a2w n GLY 203 Ca 0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.22 3a2w n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a2w n GLN 204 N -2.81 0.44 -4.18 1.61 10.64 -1.26 -4.90 117.38 116.92 3a2w n GLN 204 Ca -0.16 -0.16 -0.11 0.00 -1.83 0.00 0.00 57.00 54.73 3a2w n GLN 204 Cb 0.62 -1.50 -0.10 0.00 -0.86 0.00 0.00 30.24 28.40 3a2w n GLN 204 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 3a2w s TYR 205 N -2.67 0.95 0.07 2.61 1.51 -1.26 -5.07 117.35 113.49 3a2w s TYR 205 Ca 0.22 -1.01 -0.30 0.00 -1.01 0.00 0.00 57.07 54.97 3a2w s TYR 205 Cb 0.19 -0.55 -0.05 0.00 -0.11 0.00 0.00 41.96 41.44 3a2w s TYR 205 CO 0.53 -0.25 1.05 1.03 -1.11 0.00 0.00 175.55 176.80 3a2w s ARG 206 N -3.90 4.57 0.08 -0.62 0.52 -1.18 -4.91 118.95 113.52 3a2w s ARG 206 Ca 0.17 1.56 0.02 0.00 -0.52 0.00 0.00 55.73 56.96 3a2w s ARG 206 Cb 0.06 -3.38 -0.04 0.00 0.52 0.00 0.00 34.95 32.11 3a2w s ARG 206 CO -0.02 -0.01 -0.08 0.00 0.02 0.00 0.00 175.30 175.21 3a2w n LEU 208 N 0.51 0.22 -3.68 0.00 7.99 0.60 -4.98 117.00 117.66 3a2w n LEU 208 Ca -0.16 -0.19 0.02 0.00 -0.01 0.00 0.00 56.01 55.68 3a2w n LEU 208 Cb 0.58 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.89 3a2w n LEU 208 CO 0.27 0.06 1.12 -0.62 -1.51 0.00 0.00 177.39 176.70 3a2w s ASP 209 N -3.02 -0.03 0.58 -1.43 -1.08 -1.24 -4.94 116.67 105.51 3a2w s ASP 209 Ca -0.01 -0.11 0.28 0.00 -0.52 0.00 0.00 52.55 52.19 3a2w s ASP 209 Cb 0.09 0.11 1.69 0.00 -1.46 0.00 0.00 42.92 43.35 3a2w s ASP 209 CO 0.53 -0.21 2.18 4.11 0.52 0.00 0.00 175.17 182.30 3a2w h TRP 210 N 2.00 0.00 -0.02 -5.34 5.08 -1.96 -1.16 115.95 114.55 3a2w h TRP 210 Ca -0.30 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.67 3a2w h TRP 210 Cb 1.20 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.36 3a2w h TRP 210 CO 0.53 0.00 -0.02 -2.67 -1.28 0.00 0.00 178.44 175.00 3a2w n TRP 211 N -3.92 0.00 -3.62 0.12 4.27 -1.26 -4.48 117.44 108.54 3a2w n TRP 211 Ca -0.01 0.00 -0.28 0.00 -3.89 0.00 0.00 57.50 53.32 3a2w n TRP 211 Cb 0.19 -0.00 -0.12 0.00 -1.36 0.00 0.00 31.31 30.02 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 -2.03 1.85 0.13 -2.67 5.99 -0.44 -4.67 117.98 116.14 3a2w s PHE 212 Ca 0.31 -2.46 0.08 0.00 0.00 0.00 0.00 56.93 54.86 3a2w s PHE 212 Cb 0.20 -1.63 -0.04 0.00 0.00 0.00 0.00 43.02 41.56 3a2w s PHE 212 CO 0.33 -0.76 -0.18 0.00 -0.00 0.00 0.00 175.22 174.61 3a2w s TRP 214 N -1.74 0.19 0.00 0.00 -2.14 -0.72 -1.13 118.94 113.41 3a2w s TRP 214 Ca 0.10 -0.65 0.00 0.00 2.66 0.00 0.00 56.10 58.21 3a2w s TRP 214 Cb -0.07 0.51 0.00 0.00 -3.10 0.00 0.00 33.47 30.81 3a2w s TRP 214 CO 0.05 -1.25 0.00 -0.40 -2.66 0.00 0.00 176.95 172.69 3a2w n ASP 215 N -0.80 0.00 -3.22 -2.66 3.85 -0.85 -3.09 116.55 109.79 3a2w n ASP 215 Ca -0.04 -0.34 -0.24 0.00 -0.71 0.00 0.00 54.79 53.46 3a2w n ASP 215 Cb 0.60 0.00 -0.07 0.00 -1.35 0.00 0.00 41.12 40.31 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 -0.21 0.99 2.12 -2.24 -1.26 -1.30 114.28 112.38 3a2w n THR 216 Ca 0.00 -4.24 0.14 0.00 -2.27 0.00 0.00 64.05 57.68 3a2w n THR 216 Cb 0.00 -1.83 0.53 0.00 -2.10 0.00 0.00 70.33 66.93 3a2w n THR 216 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3a2w n PRO 217 N 1.22 0.01 -2.29 -0.78 -0.04 -1.26 -4.91 135.00 126.95 3a2w n PRO 217 Ca 0.23 0.01 -0.41 0.00 -0.04 0.00 0.00 63.50 63.29 3a2w n PRO 217 Cb 0.52 -1.51 -0.03 0.00 -0.04 0.00 0.00 33.50 32.44 3a2w n PRO 217 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3a2w s ALA 218 N -3.00 3.46 0.70 0.55 0.00 -1.26 -4.99 121.76 117.21 3a2w s ALA 218 Ca 0.13 1.07 -0.17 0.00 0.00 0.00 0.00 51.96 53.00 3a2w s ALA 218 Cb 0.18 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.91 3a2w s ALA 218 CO 0.57 -0.41 1.26 0.45 0.00 0.00 0.00 175.76 177.63 3a2w s SER 219 N -0.51 4.31 0.30 0.00 0.15 -1.26 -4.85 113.70 111.84 3a2w s SER 219 Ca 0.48 2.53 0.05 0.00 0.70 0.00 0.00 55.95 59.71 3a2w s SER 219 Cb -0.36 -2.61 0.49 0.00 -1.71 0.00 0.00 66.02 61.83 3a2w s SER 219 CO 0.45 -2.20 1.74 0.08 1.20 0.00 0.00 173.24 174.52 3a2w h ARG 220 N 0.09 0.35 -0.53 5.44 0.11 -1.98 -1.90 114.38 115.96 3a2w h ARG 220 Ca -0.49 -0.13 -0.09 0.00 0.10 0.00 0.00 59.98 59.36 3a2w h ARG 220 Cb 1.32 -0.02 -0.02 0.00 1.11 0.00 0.00 29.97 32.36 3a2w h ARG 220 CO 0.51 0.61 -0.04 -0.44 0.10 0.00 0.00 179.97 180.72 3a2w h ASP 221 N 0.31 0.95 -0.57 0.08 3.32 -1.99 -0.19 116.42 118.34 3a2w h ASP 221 Ca 0.04 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.77 3a2w h ASP 221 Cb 0.68 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 3a2w h ASP 221 CO 0.05 1.05 0.37 0.44 -1.72 0.00 0.00 179.24 179.43 3a2w h ASP 222 N 0.84 0.67 0.21 6.45 3.32 -1.83 0.40 116.42 126.48 3a2w h ASP 222 Ca 0.15 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 3a2w h ASP 222 Cb 0.58 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3a2w h ASP 222 CO 0.03 0.50 -0.10 0.58 -1.72 0.00 0.00 179.24 178.53 3a2w h VAL 223 N 0.78 0.85 -0.96 -1.35 2.07 -1.16 -2.12 116.25 114.35 3a2w h VAL 223 Ca 0.21 -0.33 0.11 0.00 0.82 0.00 0.00 66.70 67.51 3a2w h VAL 223 Cb -0.07 1.05 -0.08 0.00 -1.52 0.00 0.00 31.29 30.67 3a2w h VAL 223 CO -0.04 0.07 0.61 -0.08 0.02 0.00 0.00 177.57 178.15 3a2w h GLU 224 N -0.45 0.91 -0.45 1.57 4.22 -0.77 -0.05 114.58 119.56 3a2w h GLU 224 Ca -0.03 -0.05 -0.06 0.00 0.08 0.00 0.00 59.36 59.30 3a2w h GLU 224 Cb 0.34 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 3a2w h GLU 224 CO 0.05 0.60 0.05 1.49 -2.18 0.00 0.00 179.01 179.03 3a2w h GLU 225 N 0.94 0.76 -0.84 1.92 4.81 -0.75 0.47 114.58 121.88 3a2w h GLU 225 Ca 0.46 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 59.45 3a2w h GLU 225 Cb 0.48 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.73 3a2w h GLU 225 CO -0.23 0.79 0.39 0.00 -0.73 0.00 0.00 179.01 179.24 3a2w h ALA 226 N 0.94 1.09 -0.13 2.92 0.00 -0.51 -1.66 119.26 121.90 3a2w h ALA 226 Ca 0.13 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3a2w h ALA 226 Cb 0.41 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3a2w h ALA 226 CO 0.01 0.67 -0.22 0.00 0.00 0.00 0.00 179.25 179.71 3a2w h ARG 227 N 1.21 0.22 -0.67 0.00 3.08 -0.76 -2.76 114.38 114.69 3a2w h ARG 227 Ca 0.29 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.27 3a2w h ARG 227 Cb 0.14 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 3a2w h ARG 227 CO -0.03 0.44 0.41 0.00 -1.07 0.00 0.00 179.97 179.72 3a2w h ARG 228 N 0.21 0.91 0.12 0.04 3.08 0.05 -1.58 114.38 117.22 3a2w h ARG 228 Ca 0.04 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 60.02 3a2w h ARG 228 Cb 0.51 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 3a2w h ARG 228 CO 0.03 0.65 -0.20 1.88 -1.07 0.00 0.00 179.97 181.26 3a2w h TYR 229 N 0.92 -0.54 -0.93 3.04 0.99 -1.19 -1.71 116.97 117.56 3a2w h TYR 229 Ca 0.24 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.98 3a2w h TYR 229 Cb -0.03 0.22 -0.05 0.00 1.00 0.00 0.00 36.73 37.88 3a2w h TYR 229 CO -0.02 -0.30 0.59 -0.07 -0.00 0.00 0.00 178.16 178.37 3a2w h LEU 230 N -0.39 1.08 -0.89 3.88 3.38 -1.47 -1.67 115.31 119.23 3a2w h LEU 230 Ca 0.02 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 3a2w h LEU 230 Cb 0.41 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3a2w h LEU 230 CO -0.10 0.81 -0.39 0.03 0.09 0.00 0.00 178.44 178.87 3a2w h ARG 231 N 1.26 0.33 -0.31 1.13 3.08 -1.11 -1.06 114.38 117.70 3a2w h ARG 231 Ca 0.34 -0.16 -0.14 0.00 0.07 0.00 0.00 59.98 60.09 3a2w h ARG 231 Cb -0.11 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 3a2w h ARG 231 CO -0.07 0.68 -0.37 -0.09 -1.07 0.00 0.00 179.97 179.05 3a2w h ARG 232 N 0.28 0.73 -0.64 0.04 2.43 -0.83 -1.30 114.38 115.09 3a2w h ARG 232 Ca 0.03 -0.37 -0.07 0.00 -0.81 0.00 0.00 59.98 58.77 3a2w h ARG 232 Cb 0.82 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.35 3a2w h ARG 232 CO 0.07 0.98 0.14 0.00 -1.51 0.00 0.00 179.97 179.65 3a2w h ALA 233 N 0.98 0.85 0.00 2.80 0.00 -0.95 -3.01 119.26 119.92 3a2w h ALA 233 Ca 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3a2w h ALA 233 Cb 0.91 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3a2w h ALA 233 CO 0.08 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.91 3a2w n ALA 234 N -2.44 2.20 -2.62 0.00 0.00 -0.43 -4.86 120.51 112.37 3a2w n ALA 234 Ca 0.04 -0.02 -0.38 0.00 0.00 0.00 0.00 53.44 53.08 3a2w n ALA 234 Cb 0.26 -1.46 -0.06 0.00 0.00 0.00 0.00 19.45 18.19 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 -3.12 4.28 -0.07 0.00 2.12 -0.51 -5.04 118.70 116.36 3a2w s GLU 235 Ca 0.10 0.56 -0.30 0.00 0.36 0.00 0.00 54.97 55.69 3a2w s GLU 235 Cb 0.13 -3.38 -0.03 0.00 0.26 0.00 0.00 34.13 31.10 3a2w s GLU 235 CO 0.56 0.29 1.27 0.21 -0.54 0.00 0.00 175.26 177.05 3a2w s LYS 236 N 0.15 4.30 0.28 4.30 2.20 -1.26 -4.95 119.74 124.76 3a2w s LYS 236 Ca 0.28 1.75 -0.30 0.00 -0.36 0.00 0.00 55.97 57.33 3a2w s LYS 236 Cb -0.16 -3.63 -0.13 0.00 -1.51 0.00 0.00 37.83 32.40 3a2w s LYS 236 CO 0.13 -0.55 1.42 -0.35 -0.36 0.00 0.00 175.35 175.64 3a2w n PRO 237 N 5.65 2.22 0.09 4.03 -0.04 -1.26 -4.89 135.00 140.80 3a2w n PRO 237 Ca 0.12 0.79 -0.00 0.00 -0.04 0.00 0.00 63.50 64.37 3a2w n PRO 237 Cb 0.45 -2.45 0.30 0.00 -0.04 0.00 0.00 33.50 31.76 3a2w n PRO 237 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3a2w h ALA 238 N 3.83 1.30 -3.52 0.55 0.00 -2.04 -3.43 119.26 115.95 3a2w h ALA 238 Ca -0.46 -0.30 -0.36 0.00 0.00 0.00 0.00 54.91 53.79 3a2w h ALA 238 Cb 1.27 -0.10 -0.33 0.00 0.00 0.00 0.00 17.79 18.62 3a2w h ALA 238 CO 0.72 0.47 -0.75 -1.59 0.00 0.00 0.00 179.25 178.10 3a2w s LYS 239 N -4.50 0.45 -0.14 0.00 -2.85 -1.26 -5.13 119.74 106.31 3a2w s LYS 239 Ca -0.05 0.00 -0.17 0.00 -1.00 0.00 0.00 55.97 54.75 3a2w s LYS 239 Cb 0.14 -0.56 -0.04 0.00 -2.06 0.00 0.00 37.83 35.31 3a2w s LYS 239 CO 0.76 -0.10 0.44 -0.51 0.10 0.00 0.00 175.35 176.04 3a2w s LEU 240 N 0.87 4.25 0.28 2.77 1.43 -1.26 -5.00 118.68 122.03 3a2w s LEU 240 Ca -0.10 0.72 0.02 0.00 -1.03 0.00 0.00 54.13 53.74 3a2w s LEU 240 Cb -0.13 -2.62 0.60 0.00 0.03 0.00 0.00 46.19 44.07 3a2w s LEU 240 CO -0.01 -0.00 1.80 -0.07 0.23 0.00 0.00 176.35 178.29 3a2w h LEU 241 N 6.91 0.76 -2.29 1.79 3.38 -2.00 -2.06 115.31 121.79 3a2w h LEU 241 Ca -0.40 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3a2w h LEU 241 Cb 1.17 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3a2w h LEU 241 CO 0.75 0.35 0.16 0.10 0.09 0.00 0.00 178.44 179.89 3a2w h TYR 242 N 0.81 0.00 0.00 1.13 -0.00 -1.93 -2.86 116.97 114.12 3a2w h TYR 242 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.24 3a2w h TYR 242 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.38 3a2w h TYR 242 CO -0.03 0.00 0.00 0.39 -0.00 0.00 0.00 178.16 178.52 3a2w n GLU 243 N -2.85 0.49 0.00 0.10 1.02 -0.78 -5.15 120.64 113.48 3a2w n GLU 243 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 3a2w n GLU 243 Cb 0.21 -1.13 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 3a2w n GLU 243 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70