#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 -0.56 0.12 -1.23 0.00 -1.26 -5.10 107.32 99.29 3a2w s GLY 3 Ca 0.00 1.03 -0.23 0.00 0.00 0.00 0.00 44.72 45.52 3a2w s GLY 3 CO 0.00 0.60 0.69 -0.45 0.00 0.00 0.00 173.10 173.93 3a2w s SER 4 N -1.91 7.24 -0.00 1.64 0.15 -1.26 -5.05 113.70 114.50 3a2w s SER 4 Ca -0.04 1.47 -0.04 0.00 0.70 0.00 0.00 55.95 58.04 3a2w s SER 4 Cb -0.01 -2.44 -0.00 0.00 -1.71 0.00 0.00 66.02 61.87 3a2w s SER 4 CO -0.01 0.23 0.08 0.27 1.20 0.00 0.00 173.24 175.00 3a2w s ILE 5 N -1.07 0.07 0.98 6.45 -4.36 -1.26 -3.57 121.20 118.43 3a2w s ILE 5 Ca 0.33 -0.55 -0.11 0.00 -0.26 0.00 0.00 60.65 60.06 3a2w s ILE 5 Cb -0.21 -0.30 0.18 0.00 1.25 0.00 0.00 42.46 43.37 3a2w s ILE 5 CO 0.23 -0.30 1.09 -2.16 0.24 0.00 0.00 174.94 174.04 3a2w s PRO 6 N -0.99 0.57 0.25 0.37 0.04 -1.26 -5.00 135.00 128.98 3a2w s PRO 6 Ca -0.11 1.16 0.10 0.00 0.04 0.00 0.00 61.00 62.19 3a2w s PRO 6 Cb -0.06 -1.70 -0.05 0.00 0.04 0.00 0.00 34.50 32.73 3a2w s PRO 6 CO 0.00 -2.81 -0.10 -0.51 0.04 0.00 0.00 177.00 173.63 3a2w s LEU 7 N -6.66 2.92 0.08 -3.56 1.43 -1.26 -5.07 118.68 106.56 3a2w s LEU 7 Ca 0.66 -0.77 -0.31 0.00 -1.03 0.00 0.00 54.13 52.68 3a2w s LEU 7 Cb -0.22 -1.47 -0.09 0.00 0.03 0.00 0.00 46.19 44.44 3a2w s LEU 7 CO 0.60 0.04 1.64 -0.63 0.23 0.00 0.00 176.35 178.23 3a2w s ILE 8 N -2.24 2.98 0.00 -0.59 1.01 -1.26 -1.72 121.20 119.38 3a2w s ILE 8 Ca 0.29 0.48 0.00 0.00 0.00 0.00 0.00 60.65 61.42 3a2w s ILE 8 Cb -0.06 -3.31 0.00 0.00 0.01 0.00 0.00 42.46 39.10 3a2w s ILE 8 CO 0.17 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.72 3a2w n GLY 9 N 3.96 1.82 3.90 6.18 0.00 -0.35 -5.02 105.19 115.68 3a2w n GLY 9 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.12 2.77 0.23 1.61 2.02 -0.70 -4.76 118.70 119.76 3a2w s GLU 10 Ca 0.00 0.23 -0.23 0.00 0.02 0.00 0.00 54.97 54.99 3a2w s GLU 10 Cb 0.00 -2.11 -0.09 0.00 0.10 0.00 0.00 34.13 32.03 3a2w s GLU 10 CO 0.00 -0.97 0.79 0.50 0.02 0.00 0.00 175.26 175.60 3a2w s ARG 11 N -5.24 4.41 0.26 1.61 3.52 -1.26 -0.89 118.95 121.36 3a2w s ARG 11 Ca 0.57 1.05 -0.31 0.00 -0.13 0.00 0.00 55.73 56.92 3a2w s ARG 11 Cb -0.11 -2.95 -0.13 0.00 -1.56 0.00 0.00 34.95 30.20 3a2w s ARG 11 CO 0.49 0.41 1.36 0.34 -0.81 0.00 0.00 175.30 177.08 3a2w n PHE 12 N 0.89 2.11 -1.69 5.12 7.35 0.81 -4.80 117.46 127.24 3a2w n PHE 12 Ca -0.02 0.48 -0.52 0.00 -0.76 0.00 0.00 57.45 56.62 3a2w n PHE 12 Cb 0.50 -2.43 -0.06 0.00 0.35 0.00 0.00 39.48 37.84 3a2w n PHE 12 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 3a2w n PRO 13 N 1.70 1.72 -1.86 -7.13 -0.02 -1.26 -4.53 135.00 123.63 3a2w n PRO 13 Ca 0.10 0.63 -0.42 0.00 -2.02 0.00 0.00 63.50 61.79 3a2w n PRO 13 Cb 0.32 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.36 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 3.93 4.18 0.00 -0.52 2.12 -1.26 -4.59 118.70 122.57 3a2w s GLU 14 Ca 0.96 2.44 -0.28 0.00 0.36 0.00 0.00 54.97 58.45 3a2w s GLU 14 Cb -0.86 -3.33 0.09 0.00 0.26 0.00 0.00 34.13 30.29 3a2w s GLU 14 CO 0.58 -0.71 0.77 0.00 -0.54 0.00 0.00 175.26 175.36 3a2w s MET 15 N 1.80 0.98 -0.21 4.30 0.23 -0.48 -4.99 119.30 120.94 3a2w s MET 15 Ca 0.74 -0.10 -0.08 0.00 -1.03 0.00 0.00 55.69 55.22 3a2w s MET 15 Cb -0.44 0.46 -0.04 0.00 -1.53 0.00 0.00 34.83 33.27 3a2w s MET 15 CO 0.32 -0.38 0.07 -2.00 -2.03 0.00 0.00 175.02 171.01 3a2w s GLU 16 N -2.37 3.88 0.12 3.16 2.12 -1.26 0.21 118.70 124.55 3a2w s GLU 16 Ca -0.02 -0.38 0.08 0.00 0.36 0.00 0.00 54.97 55.00 3a2w s GLU 16 Cb -0.01 -3.28 -0.04 0.00 0.26 0.00 0.00 34.13 31.07 3a2w s GLU 16 CO -0.03 0.10 -0.18 0.14 -0.54 0.00 0.00 175.26 174.75 3a2w s VAL 17 N 0.86 1.61 -0.23 3.70 -7.23 0.50 -4.97 120.40 114.64 3a2w s VAL 17 Ca 0.04 -1.63 -0.11 0.00 -1.81 0.00 0.00 61.98 58.47 3a2w s VAL 17 Cb -0.14 -1.56 -0.05 0.00 0.56 0.00 0.00 36.38 35.19 3a2w s VAL 17 CO 0.02 -0.19 0.17 -0.89 -0.31 0.00 0.00 175.10 173.90 3a2w s THR 18 N -1.53 5.36 0.42 5.32 2.01 -1.26 -0.59 115.64 125.37 3a2w s THR 18 Ca 0.08 0.22 0.04 0.00 0.31 0.00 0.00 61.69 62.34 3a2w s THR 18 Cb -0.08 -3.51 -0.05 0.00 0.01 0.00 0.00 72.50 68.87 3a2w s THR 18 CO 0.04 0.36 0.04 0.42 -0.69 0.00 0.00 174.62 174.79 3a2w s THR 19 N 0.91 1.40 -1.75 -0.82 -4.23 -0.83 -0.92 115.64 109.41 3a2w s THR 19 Ca 0.08 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.62 3a2w s THR 19 Cb -0.13 -2.64 0.07 0.00 1.34 0.00 0.00 72.50 71.14 3a2w s THR 19 CO 0.03 0.00 0.95 -0.90 -0.54 0.00 0.00 174.62 174.17 3a2w n ASP 20 N -1.03 0.66 -0.02 3.99 5.75 -0.86 -2.10 116.55 122.95 3a2w n ASP 20 Ca -0.08 -2.02 0.01 0.00 -0.01 0.00 0.00 54.79 52.68 3a2w n ASP 20 Cb 0.67 -0.16 -0.00 0.00 -1.03 0.00 0.00 41.12 40.59 3a2w n ASP 20 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3a2w n HIS 21 N -0.20 0.00 0.00 2.11 8.25 -1.26 -4.95 115.22 119.17 3a2w n HIS 21 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 3a2w n HIS 21 Cb 0.13 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.24 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 0.74 2.25 3.74 -1.41 0.00 -0.89 -5.06 105.19 104.55 3a2w n GLY 22 Ca 0.00 -2.09 -0.41 0.00 0.00 0.00 0.00 46.02 43.53 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 -1.73 4.17 0.17 1.61 1.01 -1.26 -1.96 120.40 122.41 3a2w s VAL 23 Ca 0.00 1.92 -0.00 0.00 0.00 0.00 0.00 61.98 63.90 3a2w s VAL 23 Cb 0.00 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 3a2w s VAL 23 CO 0.00 0.35 0.07 0.27 0.00 0.00 0.00 175.10 175.79 3a2w s ILE 24 N -0.40 0.22 -0.14 2.22 -4.36 0.24 -4.97 121.20 114.02 3a2w s ILE 24 Ca 0.46 -1.95 -0.01 0.00 -0.26 0.00 0.00 60.65 58.89 3a2w s ILE 24 Cb -0.26 -2.22 -0.02 0.00 1.25 0.00 0.00 42.46 41.21 3a2w s ILE 24 CO 0.32 -0.31 -0.12 -0.75 0.24 0.00 0.00 174.94 174.32 3a2w s LYS 25 N -4.05 3.42 -0.05 0.37 2.20 -1.26 -0.37 119.74 120.00 3a2w s LYS 25 Ca 0.29 -0.66 0.00 0.00 -0.36 0.00 0.00 55.97 55.24 3a2w s LYS 25 Cb 0.07 -2.68 -0.03 0.00 -1.51 0.00 0.00 37.83 33.68 3a2w s LYS 25 CO 0.06 0.20 -0.02 -0.51 -0.36 0.00 0.00 175.35 174.71 3a2w s LEU 26 N 0.40 3.42 0.00 5.43 1.43 0.13 0.19 118.68 129.68 3a2w s LEU 26 Ca -0.09 0.04 0.24 0.00 -1.03 0.00 0.00 54.13 53.28 3a2w s LEU 26 Cb -0.16 -1.83 0.69 0.00 0.03 0.00 0.00 46.19 44.92 3a2w s LEU 26 CO 0.05 0.34 1.53 -0.81 0.23 0.00 0.00 176.35 177.69 3a2w n PRO 27 N 1.92 1.94 -0.32 1.29 -0.04 -1.26 -1.38 135.00 137.15 3a2w n PRO 27 Ca -0.17 -1.40 0.18 0.00 -0.04 0.00 0.00 63.50 62.07 3a2w n PRO 27 Cb 0.53 -1.45 0.38 0.00 -0.04 0.00 0.00 33.50 32.93 3a2w n PRO 27 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3a2w h ASP 28 N 3.02 0.38 -0.83 3.54 5.19 -1.92 -0.33 116.42 125.46 3a2w h ASP 28 Ca 0.00 0.18 0.11 0.00 -0.62 0.00 0.00 57.03 56.70 3a2w h ASP 28 Cb 0.65 0.15 -0.06 0.00 0.18 0.00 0.00 39.33 40.26 3a2w h ASP 28 CO 0.00 -0.08 0.54 -0.74 -3.12 0.00 0.00 179.24 175.84 3a2w h HIS 29 N 0.35 0.81 0.07 4.55 2.76 -0.60 -0.96 115.15 122.12 3a2w h HIS 29 Ca 0.64 0.02 -0.36 0.00 -2.20 0.00 0.00 60.37 58.47 3a2w h HIS 29 Cb 1.35 -0.26 -0.04 0.00 1.55 0.00 0.00 27.41 30.00 3a2w h HIS 29 CO -0.10 0.36 -2.12 0.66 -1.30 0.00 0.00 177.93 175.43 3a2w n TYR 30 N -4.52 0.80 -0.02 5.26 4.02 -0.33 -4.21 117.16 118.17 3a2w n TYR 30 Ca 0.15 0.19 -0.09 0.00 -0.01 0.00 0.00 57.90 58.13 3a2w n TYR 30 Cb 0.36 -1.11 -0.03 0.00 -0.02 0.00 0.00 39.34 38.54 3a2w n TYR 30 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3a2w h VAL 31 N 0.04 0.76 -0.44 -0.72 2.07 -0.99 -1.23 116.25 115.73 3a2w h VAL 31 Ca -0.46 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.19 3a2w h VAL 31 Cb 2.01 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 32.53 3a2w h VAL 31 CO 0.04 0.00 0.45 0.77 0.02 0.00 0.00 177.57 178.85 3a2w h SER 32 N -0.06 0.00 -0.39 0.57 4.64 -1.37 0.37 113.55 117.32 3a2w h SER 32 Ca 0.08 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.34 3a2w h SER 32 Cb 0.18 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.23 3a2w h SER 32 CO -0.19 0.00 0.04 0.00 -0.87 0.00 0.00 176.83 175.81 3a2w n GLN 33 N -3.78 3.10 -3.93 4.77 10.64 -0.75 -4.97 117.38 122.45 3a2w n GLN 33 Ca 0.08 -2.97 -0.25 0.00 -1.83 0.00 0.00 57.00 52.02 3a2w n GLN 33 Cb 0.64 -1.95 -0.01 0.00 -0.86 0.00 0.00 30.24 28.05 3a2w n GLN 33 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3a2w n GLY 34 N -0.44 -0.24 3.30 2.61 0.00 0.13 -4.98 105.19 105.56 3a2w n GLY 34 Ca 0.27 0.14 -0.26 0.00 0.00 0.00 0.00 46.02 46.18 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 -6.50 1.33 0.59 1.61 3.01 -0.54 -4.92 119.74 114.33 3a2w s LYS 35 Ca 0.04 -1.11 -0.05 0.00 -1.01 0.00 0.00 55.97 53.84 3a2w s LYS 35 Cb -0.02 -1.57 0.01 0.00 -1.01 0.00 0.00 37.83 35.24 3a2w s LYS 35 CO 0.88 0.38 0.90 -1.58 0.51 0.00 0.00 175.35 176.44 3a2w s TRP 36 N -0.98 3.20 -0.20 3.18 0.52 -0.06 -4.00 118.94 120.60 3a2w s TRP 36 Ca 0.08 0.58 -0.14 0.00 0.02 0.00 0.00 56.10 56.65 3a2w s TRP 36 Cb -0.10 -2.76 0.06 0.00 -1.15 0.00 0.00 33.47 29.52 3a2w s TRP 36 CO 0.03 -0.86 0.49 -0.59 0.02 0.00 0.00 176.95 176.05 3a2w s PHE 37 N -2.99 -0.67 -0.24 -1.98 -0.12 -0.12 -0.60 117.98 111.26 3a2w s PHE 37 Ca 0.54 1.46 -0.11 0.00 -0.05 0.00 0.00 56.93 58.77 3a2w s PHE 37 Cb -0.11 0.30 -0.05 0.00 -0.63 0.00 0.00 43.02 42.54 3a2w s PHE 37 CO 0.44 -0.35 0.20 0.08 -0.05 0.00 0.00 175.22 175.55 3a2w s VAL 38 N 1.01 5.33 -0.23 -2.49 1.01 0.42 -2.10 120.40 123.36 3a2w s VAL 38 Ca -0.06 0.25 -0.05 0.00 0.00 0.00 0.00 61.98 62.12 3a2w s VAL 38 Cb -0.06 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 3a2w s VAL 38 CO -0.09 0.32 -0.00 -0.22 0.00 0.00 0.00 175.10 175.11 3a2w s LEU 39 N 1.18 3.09 0.05 3.92 2.96 -0.64 -2.08 118.68 127.16 3a2w s LEU 39 Ca 0.09 -0.32 0.05 0.00 -0.22 0.00 0.00 54.13 53.73 3a2w s LEU 39 Cb -0.14 -1.80 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 3a2w s LEU 39 CO 0.06 -0.02 -0.15 0.72 -1.32 0.00 0.00 176.35 175.63 3a2w s PHE 40 N 1.52 1.34 0.36 5.38 -0.12 -0.98 -0.01 117.98 125.46 3a2w s PHE 40 Ca 0.06 -0.37 0.08 0.00 -0.05 0.00 0.00 56.93 56.65 3a2w s PHE 40 Cb -0.15 -0.79 -0.05 0.00 -0.63 0.00 0.00 43.02 41.41 3a2w s PHE 40 CO -0.01 0.05 0.13 -1.54 -0.05 0.00 0.00 175.22 173.80 3a2w s SER 41 N -1.25 4.53 -0.14 1.98 1.04 -0.64 -1.49 113.70 117.72 3a2w s SER 41 Ca 0.02 -0.88 -0.17 0.00 0.48 0.00 0.00 55.95 55.39 3a2w s SER 41 Cb -0.08 -0.63 0.04 0.00 0.10 0.00 0.00 66.02 65.45 3a2w s SER 41 CO 0.02 -0.35 0.47 -1.38 0.98 0.00 0.00 173.24 172.98 3a2w s HIS 42 N -2.48 -0.48 0.13 5.02 -3.43 0.11 -3.95 115.29 110.21 3a2w s HIS 42 Ca 0.38 1.11 -0.30 0.00 -0.80 0.00 0.00 55.06 55.45 3a2w s HIS 42 Cb -0.01 0.18 -0.09 0.00 -1.43 0.00 0.00 32.58 31.24 3a2w s HIS 42 CO 0.22 -0.30 1.51 -1.00 -2.00 0.00 0.00 174.74 173.17 3a2w h PRO 43 N 4.98 -0.24 -2.70 -0.38 0.13 -1.74 -3.38 132.00 128.68 3a2w h PRO 43 Ca -0.28 0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 64.82 3a2w h PRO 43 Cb 1.17 0.05 -0.16 0.00 0.13 0.00 0.00 31.00 32.20 3a2w h PRO 43 CO 0.25 -0.16 0.08 0.00 -0.23 0.00 0.00 178.00 177.94 3a2w s ALA 44 N -5.47 -1.42 0.72 -0.56 0.00 -1.26 -4.23 121.76 109.53 3a2w s ALA 44 Ca -0.13 0.68 -0.13 0.00 0.00 0.00 0.00 51.96 52.38 3a2w s ALA 44 Cb 0.09 0.40 0.03 0.00 0.00 0.00 0.00 23.12 23.64 3a2w s ALA 44 CO 0.57 -0.52 1.11 -0.51 0.00 0.00 0.00 175.76 176.41 3a2w s ASP 45 N -1.97 4.70 -1.20 0.00 1.01 -1.26 -3.71 116.67 114.24 3a2w s ASP 45 Ca -0.05 1.96 -0.04 0.00 0.71 0.00 0.00 52.55 55.13 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 -0.02 -1.90 1.02 0.49 0.21 0.00 0.00 175.17 174.97 3a2w n PHE 46 N -2.97 -2.38 -4.68 4.23 3.01 -1.26 -5.02 117.46 108.40 3a2w n PHE 46 Ca 0.10 0.92 -0.23 0.00 1.01 0.00 0.00 57.45 59.24 3a2w n PHE 46 Cb 0.52 -4.84 -0.15 0.00 -0.01 0.00 0.00 39.48 35.01 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 1.29 0.08 4.37 -4.23 -1.24 -5.09 115.64 107.49 3a2w s THR 47 Ca 0.28 -0.80 -0.35 0.00 -1.18 0.00 0.00 61.69 59.64 3a2w s THR 47 Cb -0.12 -1.09 -0.18 0.00 1.34 0.00 0.00 72.50 72.44 3a2w s THR 47 CO 0.68 0.28 1.59 1.55 -0.54 0.00 0.00 174.62 178.18 3a2w h PRO 48 N 5.50 -1.03 -0.92 3.99 0.13 -1.95 -1.89 132.00 135.83 3a2w h PRO 48 Ca -0.37 0.07 0.06 0.00 -0.87 0.00 0.00 66.00 64.89 3a2w h PRO 48 Cb 1.16 0.23 -0.06 0.00 0.13 0.00 0.00 31.00 32.47 3a2w h PRO 48 CO 0.47 -0.69 0.60 0.28 -0.23 0.00 0.00 178.00 178.43 3a2w h VAL 49 N -1.07 1.10 -0.64 1.56 2.07 -1.99 -1.46 116.25 115.82 3a2w h VAL 49 Ca -0.09 -0.37 -0.06 0.00 0.82 0.00 0.00 66.70 67.00 3a2w h VAL 49 Cb 0.87 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3a2w h VAL 49 CO 0.07 0.20 0.15 0.28 0.02 0.00 0.00 177.57 178.29 3a2w h SER 50 N 1.08 0.98 -0.71 0.57 0.02 -1.90 -2.01 113.55 111.57 3a2w h SER 50 Ca 0.39 -0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 3a2w h SER 50 Cb 0.14 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 3a2w h SER 50 CO -0.14 0.96 0.32 0.74 -1.14 0.00 0.00 176.83 177.57 3a2w h THR 51 N 0.95 1.24 -0.54 -2.27 2.02 -0.45 -1.46 112.91 112.40 3a2w h THR 51 Ca 0.20 -0.70 -0.12 0.00 0.77 0.00 0.00 66.41 66.56 3a2w h THR 51 Cb 0.36 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 3a2w h THR 51 CO 0.00 0.29 -0.12 0.71 0.37 0.00 0.00 175.52 176.77 3a2w h THR 52 N 1.04 1.27 -0.50 3.16 1.35 -0.93 -1.96 112.91 116.33 3a2w h THR 52 Ca 0.25 -1.28 -0.09 0.00 -0.55 0.00 0.00 66.41 64.74 3a2w h THR 52 Cb 0.14 0.97 -0.02 0.00 -1.73 0.00 0.00 68.15 67.52 3a2w h THR 52 CO -0.03 0.45 -0.05 -0.33 -0.25 0.00 0.00 175.52 175.32 3a2w h GLU 53 N 0.91 0.92 -0.51 4.72 5.08 -1.00 0.14 114.58 124.85 3a2w h GLU 53 Ca 0.14 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 3a2w h GLU 53 Cb 0.69 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 3a2w h GLU 53 CO 0.05 0.97 0.23 0.74 -1.00 0.00 0.00 179.01 180.00 3a2w h PHE 54 N 0.78 0.76 -0.54 4.33 -1.00 -1.20 0.20 116.94 120.27 3a2w h PHE 54 Ca 0.14 -0.05 -0.00 0.00 2.81 0.00 0.00 57.97 60.87 3a2w h PHE 54 Cb 0.59 -0.23 -0.03 0.00 3.61 0.00 0.00 35.95 39.89 3a2w h PHE 54 CO 0.04 0.61 0.33 0.28 -1.61 0.00 0.00 178.31 177.96 3a2w h VAL 55 N 0.68 1.16 -0.72 -0.55 2.07 -1.19 0.23 116.25 117.94 3a2w h VAL 55 Ca 0.17 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.36 3a2w h VAL 55 Cb 0.16 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 3a2w h VAL 55 CO -0.02 0.16 0.47 -1.28 0.02 0.00 0.00 177.57 176.93 3a2w h SER 56 N 0.72 0.82 -0.44 0.57 0.87 -0.44 -0.49 113.55 115.16 3a2w h SER 56 Ca 0.19 -0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.68 3a2w h SER 56 Cb -0.03 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.71 3a2w h SER 56 CO -0.04 0.59 0.07 -0.26 -0.53 0.00 0.00 176.83 176.66 3a2w h PHE 57 N 0.97 0.78 -0.92 2.24 -1.00 -0.08 -2.62 116.94 116.31 3a2w h PHE 57 Ca 0.26 -0.11 -0.01 0.00 2.81 0.00 0.00 57.97 60.92 3a2w h PHE 57 Cb -0.11 -0.21 -0.04 0.00 3.61 0.00 0.00 35.95 39.20 3a2w h PHE 57 CO -0.02 0.74 0.53 0.00 -1.61 0.00 0.00 178.31 177.95 3a2w h ALA 58 N 0.94 1.17 0.00 2.45 0.00 -0.09 -0.48 119.26 123.25 3a2w h ALA 58 Ca 0.13 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3a2w h ALA 58 Cb 0.39 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3a2w h ALA 58 CO 0.01 0.65 -0.29 0.00 0.00 0.00 0.00 179.25 179.62 3a2w h ARG 59 N 1.27 0.00 -0.29 0.00 2.47 -0.97 -2.44 114.38 114.43 3a2w h ARG 59 Ca 0.33 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.05 3a2w h ARG 59 Cb -0.01 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.31 3a2w h ARG 59 CO -0.06 0.29 0.00 0.54 0.56 0.00 0.00 179.97 181.30 3a2w n ARG 60 N -4.09 2.29 -0.31 0.04 1.74 -0.71 -4.49 116.66 111.13 3a2w n ARG 60 Ca -0.02 -1.93 0.11 0.00 -0.77 0.00 0.00 57.85 55.24 3a2w n ARG 60 Cb 0.35 -1.48 0.28 0.00 -1.02 0.00 0.00 32.46 30.59 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 3.91 0.75 -0.62 -1.55 3.20 -0.60 -1.23 116.97 120.83 3a2w h TYR 61 Ca 0.00 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.87 3a2w h TYR 61 Cb 0.86 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.90 3a2w h TYR 61 CO 0.18 0.07 0.22 0.93 -1.64 0.00 0.00 178.16 177.92 3a2w h GLU 62 N 0.52 0.91 -0.20 1.82 5.08 -1.81 -1.05 114.58 119.85 3a2w h GLU 62 Ca 0.53 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.66 3a2w h GLU 62 Cb 0.91 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 3a2w h GLU 62 CO -0.45 0.76 -0.17 -0.44 -1.00 0.00 0.00 179.01 177.71 3a2w h ASP 63 N 0.89 0.49 -0.69 1.42 3.32 -1.57 -1.70 116.42 118.59 3a2w h ASP 63 Ca 0.21 -0.46 -0.00 0.00 0.02 0.00 0.00 57.03 56.79 3a2w h ASP 63 Cb 0.21 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 3a2w h ASP 63 CO -0.01 0.85 0.42 -0.26 -1.72 0.00 0.00 179.24 178.52 3a2w h PHE 64 N 0.14 0.90 -0.65 4.55 -1.00 -1.23 -2.21 116.94 117.43 3a2w h PHE 64 Ca 0.03 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.80 3a2w h PHE 64 Cb 0.70 -0.30 -0.03 0.00 3.61 0.00 0.00 35.95 39.93 3a2w h PHE 64 CO 0.08 0.60 0.33 1.96 -1.61 0.00 0.00 178.31 179.67 3a2w h GLN 65 N 0.94 0.91 0.00 1.51 1.08 -1.14 0.13 115.11 118.53 3a2w h GLN 65 Ca 0.25 -0.11 -0.02 0.00 -1.45 0.00 0.00 58.65 57.33 3a2w h GLN 65 Cb -0.04 -0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 27.21 3a2w h GLN 65 CO -0.05 0.68 -0.08 -0.09 -0.95 0.00 0.00 178.83 178.35 3a2w h ARG 66 N 0.91 0.00 -0.44 1.46 9.65 -0.68 -1.11 114.38 124.17 3a2w h ARG 66 Ca 0.23 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.11 3a2w h ARG 66 Cb 0.06 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.64 3a2w h ARG 66 CO -0.03 0.08 0.00 1.28 2.80 0.00 0.00 179.97 184.09 3a2w n LEU 67 N -3.44 3.09 -1.93 3.80 4.77 -0.62 -4.92 117.00 117.74 3a2w n LEU 67 Ca -0.02 -1.41 -0.11 0.00 -0.03 0.00 0.00 56.01 54.44 3a2w n LEU 67 Cb 0.22 -0.29 0.04 0.00 -2.33 0.00 0.00 43.42 41.06 3a2w n LEU 67 CO 0.28 0.71 0.10 0.61 -1.33 0.00 0.00 177.39 177.75 3a2w n GLY 68 N 1.43 0.21 3.07 -0.72 0.00 -0.42 -4.87 105.19 103.89 3a2w n GLY 68 Ca 0.19 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.10 1.78 0.23 1.61 1.01 -0.06 -0.88 120.40 120.98 3a2w s VAL 69 Ca 0.26 -0.77 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 3a2w s VAL 69 Cb -0.12 -1.64 -0.06 0.00 0.00 0.00 0.00 36.38 34.57 3a2w s VAL 69 CO 0.32 0.49 0.50 -1.81 0.00 0.00 0.00 175.10 174.61 3a2w s ASP 70 N 1.34 6.51 0.16 3.32 1.01 0.23 -3.64 116.67 125.60 3a2w s ASP 70 Ca 0.04 0.73 0.08 0.00 0.71 0.00 0.00 52.55 54.11 3a2w s ASP 70 Cb -0.13 -2.15 -0.04 0.00 1.01 0.00 0.00 42.92 41.61 3a2w s ASP 70 CO -0.10 -0.09 -0.08 -0.76 0.21 0.00 0.00 175.17 174.35 3a2w s LEU 71 N -3.09 3.04 -0.29 1.23 1.43 -1.26 -0.43 118.68 119.30 3a2w s LEU 71 Ca 0.44 -0.50 -0.14 0.00 -1.03 0.00 0.00 54.13 52.90 3a2w s LEU 71 Cb -0.11 -1.75 0.10 0.00 0.03 0.00 0.00 46.19 44.46 3a2w s LEU 71 CO 0.26 0.12 0.69 -0.51 0.23 0.00 0.00 176.35 177.14 3a2w s ILE 72 N -1.59 -0.37 0.59 -0.59 2.07 -0.88 -4.25 121.20 116.17 3a2w s ILE 72 Ca 0.24 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.49 3a2w s ILE 72 Cb -0.09 -1.00 0.06 0.00 0.13 0.00 0.00 42.46 41.55 3a2w s ILE 72 CO 0.15 0.00 0.83 -0.83 -1.91 0.00 0.00 174.94 173.18 3a2w s GLY 73 N 2.10 1.81 -0.20 1.50 0.00 -0.51 -2.33 107.32 109.69 3a2w s GLY 73 Ca -0.08 -1.44 -0.12 0.00 0.00 0.00 0.00 44.72 43.08 3a2w s GLY 73 CO -0.19 -1.08 0.50 -2.27 0.00 0.00 0.00 173.10 170.05 3a2w s LEU 74 N -4.85 -0.32 0.19 0.66 2.96 -0.56 0.61 118.68 117.37 3a2w s LEU 74 Ca 0.59 1.08 -0.18 0.00 -0.22 0.00 0.00 54.13 55.41 3a2w s LEU 74 Cb -0.09 1.68 0.03 0.00 0.50 0.00 0.00 46.19 48.31 3a2w s LEU 74 CO 0.40 -0.21 0.52 -0.94 -1.32 0.00 0.00 176.35 174.81 3a2w s SER 75 N 1.37 -0.27 0.00 3.68 1.04 -1.16 -0.72 113.70 117.65 3a2w s SER 75 Ca -0.09 -0.46 0.23 0.00 0.48 0.00 0.00 55.95 56.11 3a2w s SER 75 Cb -0.07 0.58 1.26 0.00 0.10 0.00 0.00 66.02 67.89 3a2w s SER 75 CO -0.14 -1.05 1.82 1.33 0.98 0.00 0.00 173.24 176.19 3a2w n VAL 76 N -0.34 0.03 -1.64 5.02 0.24 -1.26 -0.67 118.33 119.71 3a2w n VAL 76 Ca -0.10 -0.07 -0.30 0.00 -2.04 0.00 0.00 64.34 61.83 3a2w n VAL 76 Cb 0.63 -0.19 0.09 0.00 -1.47 0.00 0.00 33.84 32.90 3a2w n VAL 76 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3a2w s ASP 77 N -1.72 4.47 0.70 -1.34 1.11 -1.26 -3.02 116.67 115.61 3a2w s ASP 77 Ca 0.34 1.16 -0.07 0.00 0.18 0.00 0.00 52.55 54.16 3a2w s ASP 77 Cb 0.16 -1.85 0.05 0.00 1.07 0.00 0.00 42.92 42.36 3a2w s ASP 77 CO 0.27 -1.97 1.02 -0.94 1.18 0.00 0.00 175.17 174.73 3a2w s SER 78 N -4.07 4.91 0.54 0.27 1.04 -1.26 -3.53 113.70 111.60 3a2w s SER 78 Ca 0.61 0.54 0.30 0.00 0.48 0.00 0.00 55.95 57.88 3a2w s SER 78 Cb -0.14 -1.22 1.56 0.00 0.10 0.00 0.00 66.02 66.32 3a2w s SER 78 CO 0.53 -1.55 2.10 -0.37 0.98 0.00 0.00 173.24 174.93 3a2w h VAL 79 N -0.58 0.41 -0.32 5.02 -1.51 -1.93 -2.36 116.25 114.98 3a2w h VAL 79 Ca -0.45 -0.46 -0.15 0.00 -1.23 0.00 0.00 66.70 64.40 3a2w h VAL 79 Cb 1.31 1.33 -0.01 0.00 -2.13 0.00 0.00 31.29 31.79 3a2w h VAL 79 CO 0.61 0.09 -0.42 -0.26 -1.23 0.00 0.00 177.57 176.36 3a2w h PHE 80 N 0.00 0.96 -0.15 5.19 -1.00 -1.99 -2.49 116.94 117.45 3a2w h PHE 80 Ca -0.00 -0.29 -0.18 0.00 2.81 0.00 0.00 57.97 60.30 3a2w h PHE 80 Cb 0.32 -0.20 0.01 0.00 3.61 0.00 0.00 35.95 39.69 3a2w h PHE 80 CO 0.00 1.07 -0.62 0.77 -1.61 0.00 0.00 178.31 177.92 3a2w h SER 81 N 0.64 0.81 -0.59 2.17 0.02 -1.83 -2.86 113.55 111.92 3a2w h SER 81 Ca 0.05 -0.62 0.12 0.00 -0.84 0.00 0.00 61.79 60.50 3a2w h SER 81 Cb 0.98 -0.24 -0.09 0.00 0.14 0.00 0.00 62.40 63.19 3a2w h SER 81 CO 0.09 1.29 0.06 0.45 -1.14 0.00 0.00 176.83 177.59 3a2w h HIS 82 N 0.38 0.07 -0.40 3.45 3.86 -1.35 0.31 115.15 121.47 3a2w h HIS 82 Ca -0.03 0.04 -0.10 0.00 -1.16 0.00 0.00 60.37 59.12 3a2w h HIS 82 Cb 1.25 0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.77 3a2w h HIS 82 CO 0.10 -0.10 -0.14 0.82 0.86 0.00 0.00 177.93 179.47 3a2w h ILE 83 N 0.18 1.28 -0.51 2.45 2.04 -1.48 0.29 117.51 121.75 3a2w h ILE 83 Ca 0.31 -1.25 -0.04 0.00 1.00 0.00 0.00 64.86 64.88 3a2w h ILE 83 Cb 0.48 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 3a2w h ILE 83 CO -0.45 0.42 0.17 0.11 0.00 0.00 0.00 178.15 178.40 3a2w h LYS 84 N 0.62 0.79 -0.55 2.37 1.79 -1.12 0.43 116.57 120.90 3a2w h LYS 84 Ca 0.10 -0.17 -0.05 0.00 -2.18 0.00 0.00 60.65 58.35 3a2w h LYS 84 Cb 0.68 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.19 3a2w h LYS 84 CO 0.05 0.73 0.13 2.35 -1.08 0.00 0.00 179.45 181.63 3a2w h TRP 85 N 0.70 0.93 -0.48 -1.35 7.01 -0.35 -0.85 115.95 121.56 3a2w h TRP 85 Ca 0.17 -0.11 -0.02 0.00 2.11 0.00 0.00 58.89 61.03 3a2w h TRP 85 Cb 0.26 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 27.04 3a2w h TRP 85 CO 0.01 0.81 0.20 0.87 -2.79 0.00 0.00 178.44 177.54 3a2w h LYS 86 N 0.78 0.67 -0.29 2.65 1.57 -0.60 -1.63 116.57 119.72 3a2w h LYS 86 Ca 0.17 -0.09 -0.13 0.00 -1.87 0.00 0.00 60.65 58.74 3a2w h LYS 86 Cb 0.35 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3a2w h LYS 86 CO 0.00 0.55 -0.34 0.93 -0.57 0.00 0.00 179.45 180.03 3a2w h GLU 87 N 0.67 0.64 -0.64 3.15 5.08 -0.32 -2.29 114.58 120.87 3a2w h GLU 87 Ca 0.16 -0.30 -0.08 0.00 -1.00 0.00 0.00 59.36 58.15 3a2w h GLU 87 Cb 0.12 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 3a2w h GLU 87 CO -0.02 0.89 0.09 2.35 -1.00 0.00 0.00 179.01 181.31 3a2w h TRP 88 N 0.54 1.14 -0.43 4.33 7.01 -0.59 -2.01 115.95 125.93 3a2w h TRP 88 Ca 0.06 -0.17 -0.10 0.00 2.11 0.00 0.00 58.89 60.80 3a2w h TRP 88 Cb 0.84 -0.31 -0.01 0.00 -2.10 0.00 0.00 29.16 27.58 3a2w h TRP 88 CO 0.04 0.97 -0.10 0.82 -2.79 0.00 0.00 178.44 177.38 3a2w h ILE 89 N 0.98 1.27 -0.15 2.65 2.04 -1.17 0.11 117.51 123.24 3a2w h ILE 89 Ca 0.19 -1.21 -0.09 0.00 1.00 0.00 0.00 64.86 64.75 3a2w h ILE 89 Cb 0.46 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 3a2w h ILE 89 CO 0.02 0.41 -0.30 -0.08 0.00 0.00 0.00 178.15 178.19 3a2w h GLU 90 N 0.66 0.29 0.22 2.37 4.81 -1.33 -0.57 114.58 121.03 3a2w h GLU 90 Ca 0.11 -0.11 -0.34 0.00 -0.13 0.00 0.00 59.36 58.89 3a2w h GLU 90 Cb 0.64 -0.02 0.03 0.00 0.63 0.00 0.00 28.75 30.03 3a2w h GLU 90 CO 0.04 0.57 -1.57 -0.09 -0.73 0.00 0.00 179.01 177.24 3a2w h ARG 91 N 0.26 0.47 0.00 1.92 2.43 -1.19 -2.59 114.38 115.68 3a2w h ARG 91 Ca 0.04 -0.81 0.00 0.00 -0.81 0.00 0.00 59.98 58.40 3a2w h ARG 91 Cb 0.67 0.30 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 3a2w h ARG 91 CO 0.05 1.38 -1.55 0.72 -1.51 0.00 0.00 179.97 179.06 3a2w n HIS 92 N -3.66 0.01 -0.02 2.20 8.25 0.36 -4.42 115.22 117.95 3a2w n HIS 92 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 3a2w n HIS 92 Cb 1.09 -0.29 -0.05 0.00 1.12 0.00 0.00 29.99 31.86 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 -1.93 0.22 -0.85 1.59 2.08 -0.28 -4.87 119.36 115.32 3a2w n ILE 93 Ca -0.00 -0.22 0.00 0.00 0.56 0.00 0.00 62.75 63.09 3a2w n ILE 93 Cb 0.46 -0.22 0.00 0.00 -0.75 0.00 0.00 39.64 39.14 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 2.33 0.71 3.46 7.39 0.00 -0.83 -4.87 105.19 113.37 3a2w n GLY 94 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.63 3.91 -0.18 1.61 1.01 -1.21 -4.93 120.40 117.97 3a2w s VAL 95 Ca 0.00 -0.33 -0.16 0.00 0.00 0.00 0.00 61.98 61.49 3a2w s VAL 95 Cb 0.00 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 3a2w s VAL 95 CO 0.00 0.45 0.38 -0.60 0.00 0.00 0.00 175.10 175.33 3a2w s ARG 96 N 0.81 4.21 -0.33 2.72 3.52 -1.26 -3.13 118.95 125.49 3a2w s ARG 96 Ca -0.00 0.21 -0.27 0.00 -0.13 0.00 0.00 55.73 55.54 3a2w s ARG 96 Cb -0.14 -3.50 0.01 0.00 -1.56 0.00 0.00 34.95 29.76 3a2w s ARG 96 CO 0.02 0.05 0.97 0.42 -0.81 0.00 0.00 175.30 175.94 3a2w s ILE 97 N 1.03 4.60 -0.25 4.11 -1.09 -1.26 -4.94 121.20 123.40 3a2w s ILE 97 Ca 0.19 1.45 0.23 0.00 -2.23 0.00 0.00 60.65 60.29 3a2w s ILE 97 Cb -0.14 -4.33 0.00 0.00 -1.58 0.00 0.00 42.46 36.41 3a2w s ILE 97 CO 0.07 -0.44 1.06 1.55 -1.23 0.00 0.00 174.94 175.95 3a2w h PRO 98 N 8.21 0.00 -6.77 2.79 0.13 -1.96 -3.48 132.00 130.92 3a2w h PRO 98 Ca -0.22 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.41 3a2w h PRO 98 Cb 1.07 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.22 3a2w h PRO 98 CO 0.98 0.00 0.03 -0.59 -0.23 0.00 0.00 178.00 178.19 3a2w s PHE 99 N -3.36 3.51 0.63 1.56 -0.12 -1.26 -5.07 117.98 113.86 3a2w s PHE 99 Ca -0.00 0.81 -0.13 0.00 -0.05 0.00 0.00 56.93 57.56 3a2w s PHE 99 Cb 0.10 -2.27 -0.02 0.00 -0.63 0.00 0.00 43.02 40.19 3a2w s PHE 99 CO 0.79 -0.08 1.05 -1.25 -0.05 0.00 0.00 175.22 175.67 3a2w s PRO 100 N -4.13 3.27 -0.10 1.99 0.04 -1.26 -4.90 135.00 129.91 3a2w s PRO 100 Ca 0.47 1.02 0.01 0.00 0.04 0.00 0.00 61.00 62.54 3a2w s PRO 100 Cb -0.10 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.42 3a2w s PRO 100 CO 0.36 -0.84 -0.11 0.42 0.04 0.00 0.00 177.00 176.88 3a2w s ILE 101 N -2.79 1.16 0.36 0.56 1.01 -1.26 -1.42 121.20 118.82 3a2w s ILE 101 Ca 0.60 -0.42 -0.27 0.00 0.00 0.00 0.00 60.65 60.56 3a2w s ILE 101 Cb -0.14 -1.12 -0.09 0.00 0.01 0.00 0.00 42.46 41.12 3a2w s ILE 101 CO 0.45 0.38 1.17 -0.63 0.00 0.00 0.00 174.94 176.31 3a2w s ILE 102 N 1.27 3.20 -0.35 2.92 1.01 0.20 -2.03 121.20 127.42 3a2w s ILE 102 Ca -0.03 1.07 -0.06 0.00 0.00 0.00 0.00 60.65 61.64 3a2w s ILE 102 Cb -0.14 -3.63 0.05 0.00 0.01 0.00 0.00 42.46 38.75 3a2w s ILE 102 CO -0.04 0.15 0.13 0.00 0.00 0.00 0.00 174.94 175.18 3a2w s ALA 103 N -1.34 3.07 -0.66 9.38 0.00 -0.10 -2.97 121.76 129.15 3a2w s ALA 103 Ca 0.53 -1.88 0.03 0.00 0.00 0.00 0.00 51.96 50.65 3a2w s ALA 103 Cb -0.32 -2.32 0.35 0.00 0.00 0.00 0.00 23.12 20.84 3a2w s ALA 103 CO 0.40 -1.42 1.22 -3.47 0.00 0.00 0.00 175.76 172.50 3a2w n ASP 104 N 4.79 5.31 -4.76 0.00 2.03 0.16 -4.64 116.55 119.44 3a2w n ASP 104 Ca -0.11 -3.71 -0.39 0.00 0.52 0.00 0.00 54.79 51.11 3a2w n ASP 104 Cb 0.44 -0.70 0.03 0.00 -0.72 0.00 0.00 41.12 40.17 3a2w n ASP 104 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 3a2w s PRO 105 N -3.70 3.36 0.00 -0.67 0.02 -1.17 -1.43 135.00 131.41 3a2w s PRO 105 Ca 0.47 2.20 0.00 0.00 0.02 0.00 0.00 61.00 63.70 3a2w s PRO 105 Cb 0.29 -2.37 0.00 0.00 0.02 0.00 0.00 34.50 32.44 3a2w s PRO 105 CO -0.16 -1.01 0.00 1.04 -0.33 0.00 0.00 177.00 176.54 3a2w n GLN 106 N -0.75 0.00 -1.83 5.54 3.00 -1.26 -4.33 117.38 117.74 3a2w n GLN 106 Ca 0.09 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.89 3a2w n GLN 106 Cb 0.45 -1.18 -0.06 0.00 0.00 0.00 0.00 30.24 29.45 3a2w n GLN 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3a2w n GLY 107 N -2.00 1.04 0.27 1.08 0.00 -0.51 -4.92 105.19 100.14 3a2w n GLY 107 Ca 0.00 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 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 0.49 -0.63 2.61 2.02 -1.78 0.59 112.91 116.20 3a2w h THR 108 Ca -0.41 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.72 3a2w h THR 108 Cb 1.26 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 3a2w h THR 108 CO 0.55 0.00 0.17 0.58 0.37 0.00 0.00 175.52 177.19 3a2w h VAL 109 N -0.47 1.24 -0.90 3.16 2.07 -1.91 -2.86 116.25 116.59 3a2w h VAL 109 Ca 0.01 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 3a2w h VAL 109 Cb 0.46 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 3a2w h VAL 109 CO -0.09 0.34 0.52 0.00 0.02 0.00 0.00 177.57 178.35 3a2w h ALA 110 N 1.23 1.23 -0.48 1.67 0.00 -1.79 -2.37 119.26 118.74 3a2w h ALA 110 Ca 0.20 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3a2w h ALA 110 Cb 0.32 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3a2w h ALA 110 CO -0.00 0.65 0.12 0.00 0.00 0.00 0.00 179.25 180.02 3a2w h ARG 111 N 1.24 0.77 -0.02 0.00 3.08 -0.68 -0.77 114.38 118.00 3a2w h ARG 111 Ca 0.32 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 60.15 3a2w h ARG 111 Cb -0.02 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 3a2w h ARG 111 CO -0.06 0.75 -0.18 0.00 -1.07 0.00 0.00 179.97 179.41 3a2w h ARG 112 N 0.66 0.03 -0.35 0.04 2.47 -1.29 -2.71 114.38 113.23 3a2w h ARG 112 Ca 0.15 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.87 3a2w h ARG 112 Cb 0.32 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.63 3a2w h ARG 112 CO 0.00 0.21 0.00 1.28 0.56 0.00 0.00 179.97 182.02 3a2w n LEU 113 N -4.31 3.26 -3.57 3.04 4.77 -0.92 -4.21 117.00 115.05 3a2w n LEU 113 Ca -0.02 -1.52 -0.19 0.00 -0.03 0.00 0.00 56.01 54.24 3a2w n LEU 113 Cb 0.25 -0.23 0.06 0.00 -2.33 0.00 0.00 43.42 41.17 3a2w n LEU 113 CO 0.37 0.71 0.01 0.61 -1.33 0.00 0.00 177.39 177.76 3a2w n GLY 114 N 1.29 -0.36 0.22 -0.72 0.00 -0.43 -4.69 105.19 100.50 3a2w n GLY 114 Ca 0.17 0.14 0.11 0.00 0.00 0.00 0.00 46.02 46.44 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 -4.17 1.32 -4.34 0.99 4.77 -0.43 -4.76 117.00 110.38 3a2w n LEU 115 Ca -0.28 -0.49 -0.46 0.00 -0.03 0.00 0.00 56.01 54.74 3a2w n LEU 115 Cb 0.67 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.68 3a2w n LEU 115 CO 0.65 0.27 0.40 -0.76 -1.33 0.00 0.00 177.39 176.62 3a2w s LEU 116 N -2.73 6.39 0.00 2.23 1.43 -1.26 -1.43 118.68 123.32 3a2w s LEU 116 Ca 0.15 -2.34 0.00 0.00 -1.03 0.00 0.00 54.13 50.91 3a2w s LEU 116 Cb 0.17 -2.23 0.00 0.00 0.03 0.00 0.00 46.19 44.16 3a2w s LEU 116 CO 0.68 -0.72 0.00 1.41 0.23 0.00 0.00 176.35 177.95 3a2w n HIS 117 N 4.65 -1.45 0.19 0.29 8.25 -1.25 -4.96 115.22 120.94 3a2w n HIS 117 Ca 0.06 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.38 3a2w n HIS 117 Cb 0.45 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.48 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 -1.27 -0.48 -0.46 -1.41 0.00 -1.98 -3.26 119.26 110.40 3a2w h ALA 118 Ca 0.00 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 54.89 3a2w h ALA 118 Cb 0.00 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 17.89 3a2w h ALA 118 CO 0.00 -0.64 0.10 0.39 0.00 0.00 0.00 179.25 179.10 3a2w n GLU 119 N -5.19 -0.03 -3.71 0.00 1.02 -1.26 -4.17 120.64 107.30 3a2w n GLU 119 Ca -0.10 0.67 -0.11 0.00 -0.02 0.00 0.00 57.16 57.60 3a2w n GLU 119 Cb 0.27 -1.11 -0.11 0.00 -0.02 0.00 0.00 31.44 30.47 3a2w n GLU 119 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3a2w s SER 120 N -4.92 -0.48 0.03 1.62 0.15 -1.23 -5.00 113.70 103.87 3a2w s SER 120 Ca -0.05 0.85 0.23 0.00 0.70 0.00 0.00 55.95 57.67 3a2w s SER 120 Cb 0.14 0.77 0.02 0.00 -1.71 0.00 0.00 66.02 65.24 3a2w s SER 120 CO 0.36 -0.18 1.01 0.00 1.20 0.00 0.00 173.24 175.63 3a2w n ALA 121 N 3.86 3.61 -0.06 5.45 0.00 -1.26 -3.88 120.51 128.22 3a2w n ALA 121 Ca -0.21 -0.44 -0.21 0.00 0.00 0.00 0.00 53.44 52.59 3a2w n ALA 121 Cb 0.56 -0.94 -0.13 0.00 0.00 0.00 0.00 19.45 18.94 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 -1.86 1.64 -4.27 0.00 5.66 -1.26 -4.99 114.28 109.20 3a2w n THR 122 Ca 0.02 -0.55 -0.28 0.00 -3.05 0.00 0.00 64.05 60.19 3a2w n THR 122 Cb 0.42 -1.65 -0.10 0.00 -1.55 0.00 0.00 70.33 67.45 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 -2.52 2.66 0.55 1.09 4.02 -1.26 -4.96 115.29 114.87 3a2w s HIS 123 Ca -0.29 -0.21 -0.10 0.00 1.02 0.00 0.00 55.06 55.49 3a2w s HIS 123 Cb 0.08 -1.33 -0.04 0.00 -1.02 0.00 0.00 32.58 30.26 3a2w s HIS 123 CO 0.67 0.48 0.93 0.95 1.02 0.00 0.00 174.74 178.79 3a2w s THR 124 N -1.54 4.76 0.39 1.30 -4.23 -1.26 -4.60 115.64 110.45 3a2w s THR 124 Ca 0.24 0.69 -0.05 0.00 -1.18 0.00 0.00 61.69 61.39 3a2w s THR 124 Cb -0.09 -3.84 0.09 0.00 1.34 0.00 0.00 72.50 69.99 3a2w s THR 124 CO 0.15 -0.97 0.53 1.33 -0.54 0.00 0.00 174.62 175.12 3a2w n VAL 125 N -2.37 0.00 -2.89 2.29 0.24 -0.51 -2.84 118.33 112.24 3a2w n VAL 125 Ca 0.04 -0.53 -0.44 0.00 -2.04 0.00 0.00 64.34 61.37 3a2w n VAL 125 Cb 0.54 -1.54 0.00 0.00 -1.47 0.00 0.00 33.84 31.37 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 -2.08 3.58 -2.49 7.34 1.74 -0.25 -3.97 116.66 120.55 3a2w n ARG 126 Ca 0.07 -3.98 -0.30 0.00 -0.77 0.00 0.00 57.85 52.88 3a2w n ARG 126 Cb 0.26 -2.86 -0.02 0.00 -1.02 0.00 0.00 32.46 28.82 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 1.56 1.81 -0.03 -0.13 0.00 -1.25 -1.61 107.32 107.67 3a2w s GLY 127 Ca 0.38 -0.15 -0.00 0.00 0.00 0.00 0.00 44.72 44.95 3a2w s GLY 127 CO -0.00 0.07 0.02 0.14 0.00 0.00 0.00 173.10 173.32 3a2w s VAL 128 N -2.69 0.08 -0.22 1.40 1.01 0.96 -1.62 120.40 119.33 3a2w s VAL 128 Ca 0.53 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.69 3a2w s VAL 128 Cb -0.10 -0.22 0.05 0.00 0.00 0.00 0.00 36.38 36.11 3a2w s VAL 128 CO 0.39 0.14 -0.08 -0.36 0.00 0.00 0.00 175.10 175.19 3a2w s PHE 129 N 1.27 2.50 -0.29 5.22 0.40 0.98 -1.15 117.98 126.91 3a2w s PHE 129 Ca -0.06 -1.75 -0.20 0.00 -0.60 0.00 0.00 56.93 54.32 3a2w s PHE 129 Cb -0.13 -1.64 -0.01 0.00 0.51 0.00 0.00 43.02 41.74 3a2w s PHE 129 CO -0.02 -0.77 0.60 0.42 0.70 0.00 0.00 175.22 176.14 3a2w s ILE 130 N 1.36 4.98 -0.11 0.64 -1.09 -0.69 -1.62 121.20 124.68 3a2w s ILE 130 Ca -0.04 0.88 0.02 0.00 -2.23 0.00 0.00 60.65 59.28 3a2w s ILE 130 Cb -0.18 -3.95 0.01 0.00 -1.58 0.00 0.00 42.46 36.77 3a2w s ILE 130 CO -0.07 -0.06 -0.18 -0.69 -1.23 0.00 0.00 174.94 172.71 3a2w s VAL 131 N 2.51 1.68 0.85 2.92 1.01 -0.89 -0.03 120.40 128.44 3a2w s VAL 131 Ca 0.24 -0.77 -0.12 0.00 0.00 0.00 0.00 61.98 61.33 3a2w s VAL 131 Cb -0.15 -1.50 0.13 0.00 0.00 0.00 0.00 36.38 34.85 3a2w s VAL 131 CO 0.11 0.48 1.20 1.51 0.00 0.00 0.00 175.10 178.40 3a2w s ASP 132 N 0.75 4.01 0.00 3.32 1.47 -0.51 -0.94 116.67 124.77 3a2w s ASP 132 Ca -0.11 0.48 0.03 0.00 1.18 0.00 0.00 52.55 54.13 3a2w s ASP 132 Cb -0.16 -0.82 0.14 0.00 -0.34 0.00 0.00 42.92 41.74 3a2w s ASP 132 CO 0.02 -2.18 0.80 0.00 0.68 0.00 0.00 175.17 174.48 3a2w n ALA 133 N -3.41 1.43 0.84 2.11 0.00 -1.26 0.27 120.51 120.50 3a2w n ALA 133 Ca 0.11 -0.01 0.10 0.00 0.00 0.00 0.00 53.44 53.63 3a2w n ALA 133 Cb 0.60 -1.04 0.04 0.00 0.00 0.00 0.00 19.45 19.06 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 -1.17 1.66 -0.90 0.00 1.74 -1.26 -4.64 116.66 112.08 3a2w n ARG 134 Ca 0.02 -1.34 0.00 0.00 -0.77 0.00 0.00 57.85 55.75 3a2w n ARG 134 Cb 0.02 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 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 1.20 0.47 3.77 -0.13 0.00 0.14 -4.98 105.19 105.66 3a2w n GLY 135 Ca 0.10 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 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 5.27 -0.09 1.61 1.01 -1.25 -0.14 120.40 124.82 3a2w s VAL 136 Ca 0.00 0.58 -0.30 0.00 0.00 0.00 0.00 61.98 62.27 3a2w s VAL 136 Cb 0.00 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 3a2w s VAL 136 CO 0.00 0.45 1.39 -0.63 0.00 0.00 0.00 175.10 176.31 3a2w s ILE 137 N -0.03 3.96 -0.05 2.22 1.01 -0.07 -1.42 121.20 126.82 3a2w s ILE 137 Ca 0.18 1.23 0.16 0.00 0.00 0.00 0.00 60.65 62.22 3a2w s ILE 137 Cb -0.14 -3.79 -0.24 0.00 0.01 0.00 0.00 42.46 38.30 3a2w s ILE 137 CO 0.06 -0.07 0.30 0.54 0.00 0.00 0.00 174.94 175.76 3a2w n ARG 138 N 6.29 0.72 -3.54 2.79 5.12 0.96 -1.21 116.66 127.80 3a2w n ARG 138 Ca 0.14 -0.12 -0.14 0.00 -1.93 0.00 0.00 57.85 55.81 3a2w n ARG 138 Cb 0.44 -1.40 -0.05 0.00 -1.16 0.00 0.00 32.46 30.30 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 -2.98 0.00 -0.03 0.55 2.01 -1.20 -4.92 115.64 109.07 3a2w s THR 139 Ca -0.06 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.94 3a2w s THR 139 Cb 0.09 -1.00 0.03 0.00 0.01 0.00 0.00 72.50 71.63 3a2w s THR 139 CO 0.68 0.00 0.01 -0.04 -0.69 0.00 0.00 174.62 174.58 3a2w s MET 140 N -1.51 0.24 -0.07 4.92 -1.94 -1.26 -1.70 119.30 117.99 3a2w s MET 140 Ca -0.05 0.11 0.05 0.00 -1.71 0.00 0.00 55.69 54.09 3a2w s MET 140 Cb -0.00 -0.47 -0.00 0.00 2.01 0.00 0.00 34.83 36.36 3a2w s MET 140 CO 0.03 -0.16 -0.21 -0.51 -0.01 0.00 0.00 175.02 174.16 3a2w s LEU 141 N 1.14 1.99 -0.38 -0.03 1.43 -0.30 -4.96 118.68 117.57 3a2w s LEU 141 Ca -0.08 -0.46 0.03 0.00 -1.03 0.00 0.00 54.13 52.59 3a2w s LEU 141 Cb -0.13 -1.22 0.11 0.00 0.03 0.00 0.00 46.19 44.98 3a2w s LEU 141 CO -0.02 0.18 0.11 -0.31 0.23 0.00 0.00 176.35 176.54 3a2w s TYR 142 N 0.10 3.23 0.14 0.29 1.51 -1.26 -0.03 117.35 121.34 3a2w s TYR 142 Ca -0.09 -2.82 -0.04 0.00 -1.01 0.00 0.00 57.07 53.11 3a2w s TYR 142 Cb -0.14 -2.66 -0.05 0.00 -0.11 0.00 0.00 41.96 38.99 3a2w s TYR 142 CO 0.05 -0.88 0.37 0.71 -1.11 0.00 0.00 175.55 174.68 3a2w s TYR 143 N 0.71 3.48 0.76 2.71 1.51 -0.64 -4.97 117.35 120.91 3a2w s TYR 143 Ca 0.13 0.52 -0.08 0.00 -1.01 0.00 0.00 57.07 56.63 3a2w s TYR 143 Cb -0.21 -1.98 0.09 0.00 -0.11 0.00 0.00 41.96 39.76 3a2w s TYR 143 CO -0.08 0.43 1.08 -1.25 -1.11 0.00 0.00 175.55 174.62 3a2w s PRO 144 N -2.72 1.85 0.26 -1.71 0.04 -1.26 -1.09 135.00 130.38 3a2w s PRO 144 Ca 0.41 -0.36 -0.02 0.00 0.04 0.00 0.00 61.00 61.07 3a2w s PRO 144 Cb -0.12 -2.12 0.47 0.00 0.04 0.00 0.00 34.50 32.77 3a2w s PRO 144 CO 0.25 -1.50 1.84 0.52 0.04 0.00 0.00 177.00 178.15 3a2w h MET 145 N -0.81 0.93 -0.00 4.56 2.86 -1.95 -2.77 114.93 117.75 3a2w h MET 145 Ca -0.44 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 3a2w h MET 145 Cb 1.30 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.75 3a2w h MET 145 CO 0.54 0.62 -0.07 -0.85 1.06 0.00 0.00 176.91 178.21 3a2w n GLU 146 N -4.64 0.57 -4.00 1.72 0.00 -1.26 -4.76 120.64 108.27 3a2w n GLU 146 Ca 0.16 -0.12 -0.31 0.00 0.00 0.00 0.00 57.16 56.89 3a2w n GLU 146 Cb 0.29 -1.50 -0.16 0.00 0.00 0.00 0.00 31.44 30.08 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 -2.51 2.33 0.46 -1.84 0.20 -1.05 -5.11 118.68 111.16 3a2w s LEU 147 Ca 0.29 -0.91 -0.22 0.00 0.69 0.00 0.00 54.13 53.97 3a2w s LEU 147 Cb 0.20 -1.25 -0.08 0.00 -0.43 0.00 0.00 46.19 44.63 3a2w s LEU 147 CO 0.47 -0.15 1.11 -0.83 -0.29 0.00 0.00 176.35 176.67 3a2w s GLY 148 N 1.38 2.71 1.01 7.98 0.00 -1.26 -4.46 107.32 114.68 3a2w s GLY 148 Ca -0.02 0.81 -0.14 0.00 0.00 0.00 0.00 44.72 45.38 3a2w s GLY 148 CO -0.08 1.23 1.12 0.50 0.00 0.00 0.00 173.10 175.87 3a2w s ARG 149 N -2.79 0.33 -0.56 2.90 0.52 -1.26 -5.01 118.95 113.08 3a2w s ARG 149 Ca 0.64 0.28 -0.05 0.00 -0.52 0.00 0.00 55.73 56.08 3a2w s ARG 149 Cb -0.24 -1.75 0.15 0.00 0.52 0.00 0.00 34.95 33.63 3a2w s ARG 149 CO 0.30 -2.74 0.39 -1.17 0.02 0.00 0.00 175.30 172.09 3a2w s LEU 150 N -6.39 5.43 0.55 2.53 2.96 -1.26 -4.97 118.68 117.53 3a2w s LEU 150 Ca 0.66 -2.48 0.22 0.00 -0.22 0.00 0.00 54.13 52.31 3a2w s LEU 150 Cb -0.15 -1.90 1.46 0.00 0.50 0.00 0.00 46.19 46.09 3a2w s LEU 150 CO 0.56 -0.48 2.12 0.58 -1.32 0.00 0.00 176.35 177.81 3a2w h VAL 151 N 5.65 0.77 -0.11 1.68 2.07 -1.96 -2.11 116.25 122.25 3a2w h VAL 151 Ca -0.07 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.40 3a2w h VAL 151 Cb 1.00 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 3a2w h VAL 151 CO 0.74 0.00 -0.17 0.44 0.02 0.00 0.00 177.57 178.59 3a2w h ASP 152 N 0.00 0.17 0.50 0.57 3.32 -1.93 -2.37 116.42 116.68 3a2w h ASP 152 Ca 0.07 -0.04 -0.10 0.00 0.02 0.00 0.00 57.03 56.98 3a2w h ASP 152 Cb 0.31 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 3a2w h ASP 152 CO -0.00 0.36 -0.49 -0.08 -1.72 0.00 0.00 179.24 177.30 3a2w h GLU 153 N 0.17 0.00 -0.28 3.56 4.57 -1.74 -1.50 114.58 119.35 3a2w h GLU 153 Ca 0.03 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.12 3a2w h GLU 153 Cb 0.41 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 3a2w h GLU 153 CO 0.03 0.49 -0.21 0.82 -1.18 0.00 0.00 179.01 178.96 3a2w h ILE 154 N 0.00 1.26 -0.19 2.32 2.04 -1.50 -0.97 117.51 120.46 3a2w h ILE 154 Ca -0.00 -1.21 -0.08 0.00 1.00 0.00 0.00 64.86 64.57 3a2w h ILE 154 Cb 0.88 1.27 -0.00 0.00 -0.74 0.00 0.00 36.82 38.23 3a2w h ILE 154 CO 0.06 0.39 -0.18 -0.07 0.00 0.00 0.00 178.15 178.35 3a2w h LEU 155 N 0.47 0.49 -0.78 1.44 3.38 -1.23 -2.58 115.31 116.51 3a2w h LEU 155 Ca 0.07 -0.47 0.04 0.00 0.09 0.00 0.00 57.88 57.61 3a2w h LEU 155 Cb 0.63 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 3a2w h LEU 155 CO 0.04 0.86 0.49 -0.09 0.09 0.00 0.00 178.44 179.83 3a2w h ARG 156 N 0.13 0.92 -0.10 1.13 2.43 -1.04 -0.63 114.38 117.22 3a2w h ARG 156 Ca 0.03 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3a2w h ARG 156 Cb 0.72 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 3a2w h ARG 156 CO 0.05 0.61 0.02 0.82 -1.51 0.00 0.00 179.97 179.96 3a2w h ILE 157 N 0.95 0.96 0.05 1.20 2.04 -1.11 0.22 117.51 121.81 3a2w h ILE 157 Ca 0.32 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 66.15 3a2w h ILE 157 Cb 0.04 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 3a2w h ILE 157 CO -0.12 0.01 -0.02 0.58 0.00 0.00 0.00 178.15 178.60 3a2w h VAL 158 N 0.07 0.99 -0.31 1.67 2.07 -1.11 -0.85 116.25 118.77 3a2w h VAL 158 Ca 0.05 -0.10 0.05 0.00 0.82 0.00 0.00 66.70 67.51 3a2w h VAL 158 Cb 0.03 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 3a2w h VAL 158 CO -0.06 0.03 0.02 0.50 0.02 0.00 0.00 177.57 178.08 3a2w h LYS 159 N -0.11 0.12 -0.65 1.57 1.63 -0.86 -0.69 116.57 117.58 3a2w h LYS 159 Ca -0.01 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 3a2w h LYS 159 Cb 0.09 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.66 3a2w h LYS 159 CO 0.01 0.08 0.43 0.00 -3.45 0.00 0.00 179.45 176.51 3a2w h ALA 160 N 1.25 0.83 0.65 5.00 0.00 -0.44 -2.11 119.26 124.44 3a2w h ALA 160 Ca 0.15 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3a2w h ALA 160 Cb 0.18 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.71 3a2w h ALA 160 CO -0.23 0.26 -0.32 -0.07 0.00 0.00 0.00 179.25 178.89 3a2w h LEU 161 N 0.88 -0.77 -1.03 0.00 4.07 -0.47 0.10 115.31 118.10 3a2w h LEU 161 Ca 0.24 0.03 0.11 0.00 0.08 0.00 0.00 57.88 58.33 3a2w h LEU 161 Cb -0.09 0.20 -0.08 0.00 1.08 0.00 0.00 40.66 41.77 3a2w h LEU 161 CO -0.05 -0.54 0.63 0.11 -1.08 0.00 0.00 178.44 177.51 3a2w h LYS 162 N -0.88 0.99 -0.15 1.13 1.57 -1.11 0.19 116.57 118.30 3a2w h LYS 162 Ca -0.09 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 3a2w h LYS 162 Cb 0.68 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 3a2w h LYS 162 CO 0.14 0.66 0.06 -0.07 -0.57 0.00 0.00 179.45 179.66 3a2w h LEU 163 N 1.02 0.22 -0.88 2.94 3.38 -1.11 -0.56 115.31 120.31 3a2w h LEU 163 Ca 0.47 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.30 3a2w h LEU 163 Cb 0.41 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 3a2w h LEU 163 CO -0.23 0.34 0.57 1.23 0.09 0.00 0.00 178.44 180.44 3a2w h GLY 164 N 0.08 1.28 1.11 0.83 0.00 0.32 0.14 103.07 106.83 3a2w h GLY 164 Ca 0.05 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 46.88 3a2w h GLY 164 CO -0.00 0.38 0.19 -0.55 0.00 0.00 0.00 176.54 176.55 3a2w h ASP 165 N 1.11 1.04 0.03 0.19 3.32 -0.39 0.23 116.42 121.95 3a2w h ASP 165 Ca 0.35 -0.21 -0.06 0.00 0.02 0.00 0.00 57.03 57.13 3a2w h ASP 165 Cb -0.00 -0.27 0.01 0.00 0.22 0.00 0.00 39.33 39.28 3a2w h ASP 165 CO -0.12 0.98 -0.26 0.77 -1.72 0.00 0.00 179.24 178.90 3a2w h SER 166 N 1.05 0.18 0.51 6.45 4.64 -0.42 -3.29 113.55 122.67 3a2w h SER 166 Ca 0.22 -0.88 0.00 0.00 -0.47 0.00 0.00 61.79 60.66 3a2w h SER 166 Cb 0.34 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3a2w h SER 166 CO -0.00 1.05 -0.04 0.18 -0.87 0.00 0.00 176.83 177.15 3a2w n LEU 167 N -4.48 0.14 -3.38 5.97 7.99 0.42 -4.93 117.00 118.74 3a2w n LEU 167 Ca -0.11 0.20 -0.17 0.00 -0.01 0.00 0.00 56.01 55.92 3a2w n LEU 167 Cb 0.55 -0.25 0.07 0.00 -0.11 0.00 0.00 43.42 43.68 3a2w n LEU 167 CO 0.39 0.03 0.04 0.29 -1.51 0.00 0.00 177.39 176.63 3a2w n LYS 168 N -1.19 -3.81 -4.11 3.23 4.76 0.69 -5.02 118.16 112.70 3a2w n LYS 168 Ca 0.14 0.81 -0.10 0.00 -2.87 0.00 0.00 58.31 56.30 3a2w n LYS 168 Cb 0.25 -5.67 -0.10 0.00 -1.84 0.00 0.00 35.03 27.67 3a2w n LYS 168 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3a2w s ARG 169 N -4.95 0.67 0.23 1.97 1.81 -0.53 -4.67 118.95 113.49 3a2w s ARG 169 Ca 0.28 -1.13 -0.05 0.00 -1.72 0.00 0.00 55.73 53.10 3a2w s ARG 169 Cb -0.04 -0.09 -0.06 0.00 -0.45 0.00 0.00 34.95 34.31 3a2w s ARG 169 CO 0.75 -0.03 0.50 0.00 -0.68 0.00 0.00 175.30 175.84 3a2w s ALA 170 N -3.07 3.67 -0.26 2.13 0.00 0.18 -4.42 121.76 120.00 3a2w s ALA 170 Ca 0.04 -0.53 -0.06 0.00 0.00 0.00 0.00 51.96 51.41 3a2w s ALA 170 Cb 0.02 -2.26 -0.01 0.00 0.00 0.00 0.00 23.12 20.87 3a2w s ALA 170 CO -0.05 0.42 0.03 0.08 0.00 0.00 0.00 175.76 176.24 3a2w s VAL 171 N -1.91 3.82 0.94 0.00 1.01 -1.26 -0.21 120.40 122.79 3a2w s VAL 171 Ca 0.43 -0.49 -0.12 0.00 0.00 0.00 0.00 61.98 61.81 3a2w s VAL 171 Cb -0.11 -2.84 0.15 0.00 0.00 0.00 0.00 36.38 33.58 3a2w s VAL 171 CO 0.27 0.27 1.09 -2.16 0.00 0.00 0.00 175.10 174.57 3a2w s PRO 172 N 1.52 0.91 0.46 2.72 0.04 -1.26 -4.95 135.00 134.44 3a2w s PRO 172 Ca 0.05 0.88 -0.25 0.00 0.04 0.00 0.00 61.00 61.71 3a2w s PRO 172 Cb -0.16 -1.76 -0.08 0.00 0.04 0.00 0.00 34.50 32.54 3a2w s PRO 172 CO 0.01 -2.49 1.42 0.00 0.04 0.00 0.00 177.00 175.98 3a2w n ALA 173 N -4.06 1.98 -0.98 8.56 0.00 -1.26 -2.60 120.51 122.15 3a2w n ALA 173 Ca 0.07 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.74 3a2w n ALA 173 Cb 0.55 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.61 3a2w n ALA 173 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3a2w n ASP 174 N -0.30 -5.00 -4.60 0.00 8.00 -1.26 -4.18 116.55 109.21 3a2w n ASP 174 Ca 0.06 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.15 3a2w n ASP 174 Cb 0.42 -2.74 0.01 0.00 -0.02 0.00 0.00 41.12 38.79 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 -2.22 1.07 0.71 1.24 -0.00 -1.07 -0.54 117.44 116.64 3a2w n TRP 175 Ca 0.00 0.55 0.03 0.00 -0.00 0.00 0.00 57.50 58.08 3a2w n TRP 175 Cb 0.36 -2.21 0.12 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 0.08 1.99 -2.19 5.87 -0.04 -1.26 -4.90 135.00 134.55 3a2w n PRO 176 Ca 0.10 -0.96 -0.31 0.00 -0.04 0.00 0.00 63.50 62.29 3a2w n PRO 176 Cb 0.40 -1.54 0.02 0.00 -0.04 0.00 0.00 33.50 32.34 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 0.20 5.73 -4.76 3.54 3.02 0.30 -2.91 115.26 120.38 3a2w n ASN 177 Ca 0.09 -3.76 -0.41 0.00 -0.03 0.00 0.00 54.58 50.47 3a2w n ASN 177 Cb 0.42 -0.65 -0.03 0.00 -0.61 0.00 0.00 39.78 38.91 3a2w n ASN 177 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3a2w s ASN 178 N -2.75 7.08 0.50 6.41 3.84 -0.57 -4.88 114.94 124.57 3a2w s ASN 178 Ca 0.51 2.38 0.27 0.00 0.21 0.00 0.00 52.86 56.23 3a2w s ASN 178 Cb 0.42 -2.63 1.28 0.00 -0.55 0.00 0.00 41.25 39.77 3a2w s ASN 178 CO -0.21 -0.31 1.99 -0.33 -2.79 0.00 0.00 177.10 175.44 3a2w h GLU 179 N 4.08 0.00 0.06 0.43 3.07 -1.87 0.26 114.58 120.62 3a2w h GLU 179 Ca -0.47 0.00 -0.38 0.00 -0.50 0.00 0.00 59.36 58.02 3a2w h GLU 179 Cb 1.22 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 29.08 3a2w h GLU 179 CO 0.69 0.15 -2.24 -0.89 -1.40 0.00 0.00 179.01 175.32 3a2w n ILE 180 N -3.51 1.63 -1.22 3.13 5.41 -1.26 -4.68 119.36 118.86 3a2w n ILE 180 Ca -0.01 -0.62 0.03 0.00 1.00 0.00 0.00 62.75 63.15 3a2w n ILE 180 Cb 0.31 -1.53 0.05 0.00 -0.71 0.00 0.00 39.64 37.75 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 -3.35 0.77 0.00 1.39 -5.35 -1.24 -5.09 119.36 106.50 3a2w n ILE 181 Ca -0.39 -0.90 0.00 0.00 -0.27 0.00 0.00 62.75 61.19 3a2w n ILE 181 Cb 1.02 0.34 0.00 0.00 -1.74 0.00 0.00 39.64 39.26 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 -0.55 2.37 0.81 3.28 0.00 0.93 0.18 105.19 112.21 3a2w n GLY 182 Ca 0.05 0.37 0.08 0.00 0.00 0.00 0.00 46.02 46.53 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 5.71 2.03 -1.49 1.61 0.28 -1.15 -1.51 120.64 126.12 3a2w n GLU 183 Ca 0.00 -1.58 -0.34 0.00 -0.16 0.00 0.00 57.16 55.08 3a2w n GLU 183 Cb 0.00 -1.38 0.09 0.00 1.43 0.00 0.00 31.44 31.58 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 -1.16 2.34 -0.01 -1.84 0.00 0.13 -4.87 107.32 101.91 3a2w s GLY 184 Ca 0.32 0.85 0.07 0.00 0.00 0.00 0.00 44.72 45.95 3a2w s GLY 184 CO 0.23 1.25 -0.22 1.08 0.00 0.00 0.00 173.10 175.44 3a2w s LEU 185 N -5.08 2.33 0.07 0.66 1.43 -0.28 -4.60 118.68 113.21 3a2w s LEU 185 Ca 0.74 -0.41 -0.25 0.00 -1.03 0.00 0.00 54.13 53.18 3a2w s LEU 185 Cb -0.28 -1.42 -0.06 0.00 0.03 0.00 0.00 46.19 44.46 3a2w s LEU 185 CO 0.44 0.31 0.76 -0.63 0.23 0.00 0.00 176.35 177.46 3a2w s ILE 186 N -0.72 4.65 -0.17 -0.59 1.01 0.71 -2.08 121.20 124.01 3a2w s ILE 186 Ca 0.11 1.64 -0.23 0.00 0.00 0.00 0.00 60.65 62.17 3a2w s ILE 186 Cb -0.10 -4.12 -0.02 0.00 0.01 0.00 0.00 42.46 38.23 3a2w s ILE 186 CO 0.01 0.40 0.73 -0.69 0.00 0.00 0.00 174.94 175.39 3a2w s VAL 187 N -0.31 4.96 -0.15 2.92 1.01 0.11 0.51 120.40 129.46 3a2w s VAL 187 Ca 0.38 1.42 -0.40 0.00 0.00 0.00 0.00 61.98 63.38 3a2w s VAL 187 Cb -0.21 -4.05 -0.17 0.00 0.00 0.00 0.00 36.38 31.95 3a2w s VAL 187 CO 0.24 0.09 1.49 -2.65 0.00 0.00 0.00 175.10 174.27 3a2w n PRO 188 N 4.95 0.82 -1.85 2.72 -0.02 -1.26 -4.50 135.00 135.86 3a2w n PRO 188 Ca 0.01 0.30 -0.36 0.00 -2.02 0.00 0.00 63.50 61.43 3a2w n PRO 188 Cb 0.49 -1.92 0.05 0.00 -0.02 0.00 0.00 33.50 32.11 3a2w n PRO 188 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3a2w s PRO 189 N 1.93 2.72 0.59 0.52 0.04 -1.26 -4.98 135.00 134.55 3a2w s PRO 189 Ca 0.94 1.95 -0.19 0.00 0.04 0.00 0.00 61.00 63.73 3a2w s PRO 189 Cb -1.12 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 31.50 3a2w s PRO 189 CO 0.60 -1.44 1.22 -2.14 0.04 0.00 0.00 177.00 175.28 3a2w s PRO 190 N -3.38 2.98 0.00 0.56 0.02 -1.26 -4.94 135.00 128.98 3a2w s PRO 190 Ca 0.80 1.85 0.04 0.00 0.02 0.00 0.00 61.00 63.71 3a2w s PRO 190 Cb -0.34 -1.95 0.08 0.00 0.02 0.00 0.00 34.50 32.31 3a2w s PRO 190 CO 0.37 -1.20 0.89 0.25 -0.33 0.00 0.00 177.00 176.98 3a2w n THR 191 N -1.55 0.57 -4.02 0.99 -2.24 -1.26 -4.86 114.28 101.90 3a2w n THR 191 Ca 0.13 -0.79 -0.08 0.00 -2.27 0.00 0.00 64.05 61.05 3a2w n THR 191 Cb 0.49 0.75 -0.10 0.00 -2.10 0.00 0.00 70.33 69.37 3a2w n THR 191 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3a2w s THR 192 N -0.71 0.16 0.21 4.28 -4.23 -1.26 -5.05 115.64 109.03 3a2w s THR 192 Ca 0.07 -1.31 -0.09 0.00 -1.18 0.00 0.00 61.69 59.17 3a2w s THR 192 Cb 0.04 -0.86 0.14 0.00 1.34 0.00 0.00 72.50 73.16 3a2w s THR 192 CO 0.05 -0.72 1.77 -0.08 -0.54 0.00 0.00 174.62 175.10 3a2w h GLU 193 N 3.91 0.49 0.75 3.99 4.81 -1.99 0.58 114.58 127.12 3a2w h GLU 193 Ca -0.33 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 58.84 3a2w h GLU 193 Cb 1.18 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 30.45 3a2w h GLU 193 CO 0.53 0.33 -0.37 -0.44 -0.73 0.00 0.00 179.01 178.32 3a2w h ASP 194 N 0.51 -0.88 -0.69 1.04 3.32 -1.99 -2.17 116.42 115.55 3a2w h ASP 194 Ca 0.31 0.03 0.14 0.00 0.02 0.00 0.00 57.03 57.53 3a2w h ASP 194 Cb 0.32 0.23 -0.13 0.00 0.22 0.00 0.00 39.33 39.97 3a2w h ASP 194 CO -0.26 -0.62 -0.20 1.56 -1.72 0.00 0.00 179.24 178.00 3a2w h GLN 195 N -1.02 -0.02 -0.90 3.56 4.20 -1.84 0.12 115.11 119.20 3a2w h GLN 195 Ca -0.10 0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.72 3a2w h GLN 195 Cb 0.79 0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.49 3a2w h GLN 195 CO 0.16 -0.02 0.53 0.00 -0.67 0.00 0.00 178.83 178.83 3a2w h ALA 196 N 1.60 1.32 -0.09 3.87 0.00 -0.70 0.33 119.26 125.61 3a2w h ALA 196 Ca 0.32 0.04 -0.17 0.00 0.00 0.00 0.00 54.91 55.10 3a2w h ALA 196 Cb 0.52 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.18 3a2w h ALA 196 CO -0.72 0.11 -0.62 -0.09 0.00 0.00 0.00 179.25 177.93 3a2w h ARG 197 N 0.84 0.58 -0.98 0.00 2.43 -0.44 -2.85 114.38 113.96 3a2w h ARG 197 Ca 0.45 -0.50 0.04 0.00 -0.81 0.00 0.00 59.98 59.16 3a2w h ARG 197 Cb 0.47 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 30.07 3a2w h ARG 197 CO -0.28 1.13 0.64 0.00 -1.51 0.00 0.00 179.97 179.95 3a2w h ALA 198 N 0.46 1.38 -0.51 2.80 0.00 -0.14 0.49 119.26 123.74 3a2w h ALA 198 Ca -0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3a2w h ALA 198 Cb 1.27 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3a2w h ALA 198 CO 0.13 0.52 0.16 -0.09 0.00 0.00 0.00 179.25 179.97 3a2w h ARG 199 N 1.22 0.79 -0.29 0.00 9.65 -0.98 -1.63 114.38 123.15 3a2w h ARG 199 Ca 0.40 -0.17 -0.17 0.00 -1.10 0.00 0.00 59.98 58.94 3a2w h ARG 199 Cb 0.04 -0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 28.50 3a2w h ARG 199 CO -0.13 0.74 -0.48 0.52 2.80 0.00 0.00 179.97 183.41 3a2w h MET 200 N 0.70 0.83 -0.53 0.20 2.86 -1.10 -2.67 114.93 115.22 3a2w h MET 200 Ca 0.17 -0.51 -0.02 0.00 -2.06 0.00 0.00 59.70 57.27 3a2w h MET 200 Cb 0.27 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 3a2w h MET 200 CO -0.01 1.15 0.23 1.49 1.06 0.00 0.00 176.91 180.83 3a2w h GLU 201 N 0.60 0.76 -0.01 1.72 4.57 0.06 -2.79 114.58 119.49 3a2w h GLU 201 Ca 0.02 -0.10 -0.21 0.00 -1.18 0.00 0.00 59.36 57.88 3a2w h GLU 201 Cb 1.09 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 29.54 3a2w h GLU 201 CO 0.11 0.61 -0.89 0.66 -1.18 0.00 0.00 179.01 178.32 3a2w h SER 202 N 0.75 0.49 -5.18 1.04 4.64 -1.26 -3.47 113.55 110.56 3a2w h SER 202 Ca 0.18 -0.38 -0.35 0.00 -0.47 0.00 0.00 61.79 60.77 3a2w h SER 202 Cb 0.12 -0.15 -0.06 0.00 -0.31 0.00 0.00 62.40 62.00 3a2w h SER 202 CO -0.02 1.17 -0.51 0.61 -0.87 0.00 0.00 176.83 177.21 3a2w n GLY 203 N 0.87 -0.49 0.03 -0.77 0.00 -1.01 -4.82 105.19 99.00 3a2w n GLY 203 Ca -0.06 0.08 0.14 0.00 0.00 0.00 0.00 46.02 46.18 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 -3.58 0.25 -4.32 1.61 10.64 -1.26 -4.86 117.38 115.86 3a2w n GLN 204 Ca -0.04 -0.06 -0.17 0.00 -1.83 0.00 0.00 57.00 54.90 3a2w n GLN 204 Cb 0.55 -1.50 -0.10 0.00 -0.86 0.00 0.00 30.24 28.33 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 -2.79 1.53 0.13 2.61 1.51 -1.26 -5.10 117.35 113.98 3a2w s TYR 205 Ca 0.20 -0.90 -0.29 0.00 -1.01 0.00 0.00 57.07 55.07 3a2w s TYR 205 Cb 0.19 -0.87 -0.06 0.00 -0.11 0.00 0.00 41.96 41.11 3a2w s TYR 205 CO 0.54 -0.02 0.92 1.03 -1.11 0.00 0.00 175.55 176.91 3a2w s ARG 206 N -3.84 4.69 -0.03 -0.62 0.52 -1.16 -4.91 118.95 113.60 3a2w s ARG 206 Ca 0.27 1.39 -0.07 0.00 -0.52 0.00 0.00 55.73 56.79 3a2w s ARG 206 Cb 0.05 -3.35 0.01 0.00 0.52 0.00 0.00 34.95 32.18 3a2w s ARG 206 CO 0.08 0.30 0.17 0.00 0.02 0.00 0.00 175.30 175.87 3a2w n LEU 208 N 2.18 0.73 -3.89 0.00 7.99 -0.28 -4.99 117.00 118.73 3a2w n LEU 208 Ca -0.18 0.29 -0.03 0.00 -0.01 0.00 0.00 56.01 56.09 3a2w n LEU 208 Cb 0.57 -0.01 0.02 0.00 -0.11 0.00 0.00 43.42 43.89 3a2w n LEU 208 CO 0.21 -0.07 0.83 -0.62 -1.51 0.00 0.00 177.39 176.23 3a2w s ASP 209 N -5.36 0.01 0.61 -1.43 -1.08 -1.25 -4.99 116.67 103.18 3a2w s ASP 209 Ca -0.02 -0.65 0.38 0.00 -0.52 0.00 0.00 52.55 51.73 3a2w s ASP 209 Cb 0.10 0.48 1.93 0.00 -1.46 0.00 0.00 42.92 43.97 3a2w s ASP 209 CO 0.81 -0.95 2.21 4.11 0.52 0.00 0.00 175.17 181.87 3a2w h TRP 210 N 2.00 0.00 -0.44 -5.34 5.08 -1.94 -2.60 115.95 112.71 3a2w h TRP 210 Ca -0.27 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.70 3a2w h TRP 210 Cb 1.22 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.38 3a2w h TRP 210 CO 1.39 0.02 0.00 -2.67 -1.28 0.00 0.00 178.44 175.90 3a2w n TRP 211 N -3.23 0.58 -3.50 0.12 4.27 -1.26 -4.37 117.44 110.05 3a2w n TRP 211 Ca -0.02 -0.35 -0.28 0.00 -3.89 0.00 0.00 57.50 52.97 3a2w n TRP 211 Cb 0.17 -0.01 -0.11 0.00 -1.36 0.00 0.00 31.31 30.00 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 -1.20 1.49 0.08 -2.67 5.99 -0.98 -4.62 117.98 116.07 3a2w s PHE 212 Ca 0.36 -2.42 0.08 0.00 0.00 0.00 0.00 56.93 54.94 3a2w s PHE 212 Cb 0.20 -1.25 -0.03 0.00 0.00 0.00 0.00 43.02 41.94 3a2w s PHE 212 CO 0.27 -0.78 -0.20 0.00 -0.00 0.00 0.00 175.22 174.51 3a2w s TRP 214 N -1.03 0.31 0.00 0.00 -2.14 -0.53 0.08 118.94 115.63 3a2w s TRP 214 Ca 0.06 -0.75 0.00 0.00 2.66 0.00 0.00 56.10 58.07 3a2w s TRP 214 Cb -0.10 0.43 0.00 0.00 -3.10 0.00 0.00 33.47 30.70 3a2w s TRP 214 CO 0.03 -1.23 0.00 -0.40 -2.66 0.00 0.00 176.95 172.69 3a2w n ASP 215 N -0.88 0.00 -3.25 -2.66 3.85 -0.89 -2.97 116.55 109.75 3a2w n ASP 215 Ca -0.03 -0.86 -0.25 0.00 -0.71 0.00 0.00 54.79 52.93 3a2w n ASP 215 Cb 0.61 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 1.46 0.23 2.12 -2.24 -1.26 -1.12 114.28 113.48 3a2w n THR 216 Ca 0.00 -4.92 0.13 0.00 -2.27 0.00 0.00 64.05 56.99 3a2w n THR 216 Cb 0.00 -1.75 0.32 0.00 -2.10 0.00 0.00 70.33 66.80 3a2w n THR 216 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3a2w h PRO 217 N 3.79 0.00 -6.67 -0.78 0.13 -1.93 -3.46 132.00 123.09 3a2w h PRO 217 Ca 0.14 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.76 3a2w h PRO 217 Cb 0.72 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.86 3a2w h PRO 217 CO 0.70 0.02 0.53 0.00 -0.23 0.00 0.00 178.00 179.03 3a2w s ALA 218 N -3.34 3.42 1.04 -0.56 0.00 -1.26 -5.02 121.76 116.04 3a2w s ALA 218 Ca 0.05 0.91 -0.12 0.00 0.00 0.00 0.00 51.96 52.80 3a2w s ALA 218 Cb 0.06 -3.39 0.22 0.00 0.00 0.00 0.00 23.12 20.00 3a2w s ALA 218 CO 0.64 -0.32 1.07 -1.54 0.00 0.00 0.00 175.76 175.61 3a2w s SER 219 N 0.03 2.02 0.19 0.00 1.04 -1.26 -4.81 113.70 110.91 3a2w s SER 219 Ca 0.51 1.63 -0.07 0.00 0.48 0.00 0.00 55.95 58.50 3a2w s SER 219 Cb -0.32 -2.30 0.10 0.00 0.10 0.00 0.00 66.02 63.60 3a2w s SER 219 CO 0.36 -3.57 1.59 0.03 0.98 0.00 0.00 173.24 172.64 3a2w h ARG 220 N -2.19 0.90 -0.55 4.02 3.08 -1.99 -1.82 114.38 115.83 3a2w h ARG 220 Ca -0.55 -0.37 -0.05 0.00 0.07 0.00 0.00 59.98 59.09 3a2w h ARG 220 Cb 1.31 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.30 3a2w h ARG 220 CO 0.50 1.02 0.16 -0.44 -1.07 0.00 0.00 179.97 180.14 3a2w h ASP 221 N 0.78 0.81 -0.42 7.04 3.32 -1.98 0.28 116.42 126.25 3a2w h ASP 221 Ca 0.11 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 56.91 3a2w h ASP 221 Cb 0.75 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 3a2w h ASP 221 CO 0.06 0.81 0.14 0.44 -1.72 0.00 0.00 179.24 178.97 3a2w h ASP 222 N 0.77 0.61 -0.29 6.45 3.32 -1.89 -0.93 116.42 124.45 3a2w h ASP 222 Ca 0.18 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 3a2w h ASP 222 Cb 0.30 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3a2w h ASP 222 CO -0.00 0.65 0.05 0.58 -1.72 0.00 0.00 179.24 178.79 3a2w h VAL 223 N 0.54 1.23 -0.08 -1.35 2.07 -1.21 -2.72 116.25 114.73 3a2w h VAL 223 Ca 0.14 -0.78 -0.05 0.00 0.82 0.00 0.00 66.70 66.82 3a2w h VAL 223 Cb 0.25 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 3a2w h VAL 223 CO -0.01 0.26 -0.20 -0.33 0.02 0.00 0.00 177.57 177.31 3a2w h GLU 224 N 0.30 0.14 -0.15 1.57 5.08 -0.81 -2.11 114.58 118.60 3a2w h GLU 224 Ca 0.09 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 3a2w h GLU 224 Cb 0.33 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3a2w h GLU 224 CO 0.00 0.34 -0.00 1.49 -1.00 0.00 0.00 179.01 179.84 3a2w h GLU 225 N 0.13 0.27 -0.20 2.33 4.81 -0.99 -0.78 114.58 120.14 3a2w h GLU 225 Ca 0.02 -0.09 0.04 0.00 -0.13 0.00 0.00 59.36 59.20 3a2w h GLU 225 Cb 0.44 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.75 3a2w h GLU 225 CO 0.03 0.50 -0.03 0.00 -0.73 0.00 0.00 179.01 178.78 3a2w h ALA 226 N 0.76 0.15 0.00 2.92 0.00 -1.23 -0.32 119.26 121.54 3a2w h ALA 226 Ca 0.04 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3a2w h ALA 226 Cb 0.38 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3a2w h ALA 226 CO 0.01 -0.46 -0.09 0.00 0.00 0.00 0.00 179.25 178.70 3a2w h ARG 227 N 0.02 0.00 -0.65 0.00 3.08 -1.33 -2.06 114.38 113.45 3a2w h ARG 227 Ca 0.10 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 3a2w h ARG 227 Cb 0.14 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 3a2w h ARG 227 CO -0.19 0.09 0.24 -0.09 -1.07 0.00 0.00 179.97 178.95 3a2w h ARG 228 N 0.00 0.98 -0.26 0.04 2.43 0.48 0.65 114.38 118.69 3a2w h ARG 228 Ca -0.00 -0.19 -0.00 0.00 -0.81 0.00 0.00 59.98 58.98 3a2w h ARG 228 Cb 0.19 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 3a2w h ARG 228 CO 0.01 0.84 0.16 1.88 -1.51 0.00 0.00 179.97 181.35 3a2w h TYR 229 N 0.92 0.35 -0.40 2.20 0.99 -0.93 -1.68 116.97 118.42 3a2w h TYR 229 Ca 0.21 -0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.86 3a2w h TYR 229 Cb 0.24 -0.11 -0.02 0.00 1.00 0.00 0.00 36.73 37.84 3a2w h TYR 229 CO 0.02 0.27 -0.06 -0.07 -0.00 0.00 0.00 178.16 178.31 3a2w h LEU 230 N 0.33 0.66 -0.94 3.88 3.38 -1.33 -1.95 115.31 119.33 3a2w h LEU 230 Ca 0.09 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 3a2w h LEU 230 Cb 0.02 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3a2w h LEU 230 CO -0.02 0.77 0.02 -0.09 0.09 0.00 0.00 178.44 179.22 3a2w h ARG 231 N 0.63 0.80 -0.19 1.13 2.43 -0.48 -2.18 114.38 116.52 3a2w h ARG 231 Ca 0.12 -0.21 -0.07 0.00 -0.81 0.00 0.00 59.98 59.02 3a2w h ARG 231 Cb 0.49 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.94 3a2w h ARG 231 CO 0.03 0.79 -0.14 -0.09 -1.51 0.00 0.00 179.97 179.05 3a2w h ARG 232 N 0.75 0.43 -0.68 0.20 2.43 -0.99 -1.18 114.38 115.34 3a2w h ARG 232 Ca 0.15 -0.21 0.10 0.00 -0.81 0.00 0.00 59.98 59.22 3a2w h ARG 232 Cb 0.42 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.93 3a2w h ARG 232 CO 0.02 0.76 0.45 0.00 -1.51 0.00 0.00 179.97 179.69 3a2w h ALA 233 N 0.66 1.95 0.00 2.80 0.00 -1.21 -2.37 119.26 121.08 3a2w h ALA 233 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3a2w h ALA 233 Cb 0.65 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3a2w h ALA 233 CO 0.04 -0.10 -0.51 0.00 0.00 0.00 0.00 179.25 178.68 3a2w h ALA 234 N 1.66 0.75 -2.57 0.00 0.00 -1.15 -3.47 119.26 114.48 3a2w h ALA 234 Ca 0.32 -0.03 -0.52 0.00 0.00 0.00 0.00 54.91 54.68 3a2w h ALA 234 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3a2w h ALA 234 CO -0.10 0.03 0.49 -2.00 0.00 0.00 0.00 179.25 177.67 3a2w s GLU 235 N -3.27 4.54 0.11 0.00 2.12 -0.47 -5.00 118.70 116.73 3a2w s GLU 235 Ca 0.03 1.69 -0.30 0.00 0.36 0.00 0.00 54.97 56.75 3a2w s GLU 235 Cb 0.07 -3.32 -0.07 0.00 0.26 0.00 0.00 34.13 31.07 3a2w s GLU 235 CO 0.73 -0.04 1.22 0.21 -0.54 0.00 0.00 175.26 176.84 3a2w s LYS 236 N 0.24 4.44 0.07 4.30 2.20 -1.26 -4.94 119.74 124.79 3a2w s LYS 236 Ca 0.53 1.85 -0.32 0.00 -0.36 0.00 0.00 55.97 57.66 3a2w s LYS 236 Cb -0.28 -3.29 -0.11 0.00 -1.51 0.00 0.00 37.83 32.63 3a2w s LYS 236 CO 0.32 -0.22 1.81 -2.30 -0.36 0.00 0.00 175.35 174.61 3a2w n PRO 237 N 3.40 2.53 0.10 4.03 -0.02 -1.26 -4.88 135.00 138.91 3a2w n PRO 237 Ca 0.08 0.92 -0.04 0.00 -2.02 0.00 0.00 63.50 62.44 3a2w n PRO 237 Cb 0.45 -2.79 0.05 0.00 -0.02 0.00 0.00 33.50 31.20 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 8.38 0.71 -3.22 3.55 0.00 -2.04 -3.43 119.26 123.22 3a2w h ALA 238 Ca -0.47 -0.70 -0.48 0.00 0.00 0.00 0.00 54.91 53.26 3a2w h ALA 238 Cb 1.24 -0.12 -0.40 0.00 0.00 0.00 0.00 17.79 18.52 3a2w h ALA 238 CO 0.94 0.96 -0.76 0.15 0.00 0.00 0.00 179.25 180.53 3a2w s LYS 239 N -3.26 0.46 -0.13 0.00 1.02 -1.26 -5.12 119.74 111.45 3a2w s LYS 239 Ca -0.01 -0.19 -0.28 0.00 0.02 0.00 0.00 55.97 55.52 3a2w s LYS 239 Cb 0.11 -1.72 -0.01 0.00 -0.52 0.00 0.00 37.83 35.69 3a2w s LYS 239 CO 0.79 -0.56 0.94 -0.51 -0.92 0.00 0.00 175.35 175.09 3a2w s LEU 240 N 1.97 4.22 0.59 3.17 1.43 -1.26 -4.95 118.68 123.85 3a2w s LEU 240 Ca 0.01 1.38 0.30 0.00 -1.03 0.00 0.00 54.13 54.79 3a2w s LEU 240 Cb -0.16 -3.42 1.77 0.00 0.03 0.00 0.00 46.19 44.41 3a2w s LEU 240 CO -0.07 -0.43 2.19 -0.07 0.23 0.00 0.00 176.35 178.20 3a2w h LEU 241 N 8.16 0.00 -1.55 1.79 3.38 -1.98 -1.66 115.31 123.45 3a2w h LEU 241 Ca -0.30 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 3a2w h LEU 241 Cb 1.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 3a2w h LEU 241 CO 0.85 0.00 -0.15 0.10 0.09 0.00 0.00 178.44 179.34 3a2w h TYR 242 N 0.00 0.00 0.00 1.13 -0.00 -1.94 -1.48 116.97 114.68 3a2w h TYR 242 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.74 3a2w h TYR 242 Cb 0.22 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.95 3a2w h TYR 242 CO 0.00 0.15 -0.28 0.93 -0.00 0.00 0.00 178.16 178.96 3a2w h GLU 243 N 0.00 0.00 -0.01 0.10 5.08 -1.72 -3.30 114.58 114.74 3a2w h GLU 243 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3a2w h GLU 243 Cb 0.53 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 3a2w h GLU 243 CO 0.02 0.31 0.34 0.93 -1.00 0.00 0.00 179.01 179.61 3a2w h GLU 244 N -1.00 0.00 0.00 2.33 5.08 -1.50 -3.52 114.58 115.97 3a2w h GLU 244 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3a2w h GLU 244 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3a2w h GLU 244 CO -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.98