#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 1.23 -0.08 -1.23 0.00 -1.26 -5.04 107.32 100.95 3a2w s GLY 3 Ca 0.00 -1.46 -0.04 0.00 0.00 0.00 0.00 44.72 43.22 3a2w s GLY 3 CO 0.00 -1.54 0.18 -0.45 0.00 0.00 0.00 173.10 171.29 3a2w s SER 4 N -2.85 -0.17 0.05 1.64 0.15 -1.26 -5.15 113.70 106.12 3a2w s SER 4 Ca 0.15 0.38 -0.02 0.00 0.70 0.00 0.00 55.95 57.17 3a2w s SER 4 Cb -0.03 0.27 -0.04 0.00 -1.71 0.00 0.00 66.02 64.52 3a2w s SER 4 CO 0.04 -0.15 -0.01 0.27 1.20 0.00 0.00 173.24 174.59 3a2w s ILE 5 N 1.16 0.21 0.96 6.45 -0.00 -1.26 -3.22 121.20 125.50 3a2w s ILE 5 Ca -0.09 -1.76 -0.11 0.00 -0.00 0.00 0.00 60.65 58.69 3a2w s ILE 5 Cb -0.11 -1.51 0.17 0.00 -0.00 0.00 0.00 42.46 41.01 3a2w s ILE 5 CO -0.07 -0.96 1.09 -2.16 -0.00 0.00 0.00 174.94 172.84 3a2w s PRO 6 N -3.92 0.72 0.14 0.37 0.04 -1.26 -4.99 135.00 126.10 3a2w s PRO 6 Ca 0.07 1.02 0.10 0.00 0.04 0.00 0.00 61.00 62.23 3a2w s PRO 6 Cb 0.08 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.85 3a2w s PRO 6 CO -0.10 -2.66 -0.22 -0.51 0.04 0.00 0.00 177.00 173.54 3a2w s LEU 7 N -6.54 2.37 0.19 -3.56 1.43 -1.26 -5.08 118.68 106.23 3a2w s LEU 7 Ca 0.65 -0.78 -0.33 0.00 -1.03 0.00 0.00 54.13 52.64 3a2w s LEU 7 Cb -0.21 -1.01 -0.14 0.00 0.03 0.00 0.00 46.19 44.87 3a2w s LEU 7 CO 0.59 0.08 1.45 -0.38 0.23 0.00 0.00 176.35 178.31 3a2w n ILE 8 N 0.68 0.52 0.00 -0.59 5.41 -1.26 -0.86 119.36 123.26 3a2w n ILE 8 Ca -0.16 -0.13 0.00 0.00 1.00 0.00 0.00 62.75 63.46 3a2w n ILE 8 Cb 0.55 -1.41 0.00 0.00 -0.71 0.00 0.00 39.64 38.07 3a2w n ILE 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3a2w n GLY 9 N 2.63 3.37 3.85 7.39 0.00 0.29 -5.00 105.19 117.73 3a2w n GLY 9 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.89 3.95 0.24 1.61 2.02 -0.04 -4.82 118.70 120.78 3a2w s GLU 10 Ca 0.00 0.52 -0.30 0.00 0.02 0.00 0.00 54.97 55.21 3a2w s GLU 10 Cb 0.00 -2.63 -0.09 0.00 0.10 0.00 0.00 34.13 31.51 3a2w s GLU 10 CO 0.00 0.29 1.23 0.50 0.02 0.00 0.00 175.26 177.29 3a2w s ARG 11 N -2.66 4.47 0.13 1.61 3.52 -1.26 -1.64 118.95 123.11 3a2w s ARG 11 Ca 0.48 1.97 -0.35 0.00 -0.13 0.00 0.00 55.73 57.71 3a2w s ARG 11 Cb -0.12 -3.18 -0.15 0.00 -1.56 0.00 0.00 34.95 29.93 3a2w s ARG 11 CO 0.19 -0.08 1.40 0.34 -0.81 0.00 0.00 175.30 176.34 3a2w n PHE 12 N 1.91 1.79 -1.68 5.12 7.35 0.23 -4.78 117.46 127.41 3a2w n PHE 12 Ca 0.03 0.50 -0.48 0.00 -0.76 0.00 0.00 57.45 56.74 3a2w n PHE 12 Cb 0.44 -2.41 -0.05 0.00 0.35 0.00 0.00 39.48 37.81 3a2w n PHE 12 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3a2w n PRO 13 N 2.69 2.11 -1.73 -7.13 -0.04 -1.26 -4.53 135.00 125.10 3a2w n PRO 13 Ca 0.17 0.77 -0.42 0.00 -0.04 0.00 0.00 63.50 63.98 3a2w n PRO 13 Cb 0.24 -2.59 -0.03 0.00 -0.04 0.00 0.00 33.50 31.08 3a2w n PRO 13 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3a2w s GLU 14 N 3.17 4.14 -0.04 0.54 2.12 -1.26 -4.57 118.70 122.81 3a2w s GLU 14 Ca 0.89 2.57 -0.30 0.00 0.36 0.00 0.00 54.97 58.50 3a2w s GLU 14 Cb -0.71 -3.60 0.07 0.00 0.26 0.00 0.00 34.13 30.14 3a2w s GLU 14 CO 0.49 -0.84 0.66 0.00 -0.54 0.00 0.00 175.26 175.03 3a2w s MET 15 N 2.76 1.05 -0.21 4.30 0.23 -0.17 -5.00 119.30 122.26 3a2w s MET 15 Ca 0.80 0.20 -0.09 0.00 -1.03 0.00 0.00 55.69 55.57 3a2w s MET 15 Cb -0.45 0.49 -0.05 0.00 -1.53 0.00 0.00 34.83 33.29 3a2w s MET 15 CO 0.36 -0.33 0.12 -2.00 -2.03 0.00 0.00 175.02 171.14 3a2w s GLU 16 N -1.32 4.06 0.07 3.16 2.12 -1.26 0.20 118.70 125.74 3a2w s GLU 16 Ca -0.11 -0.28 0.07 0.00 0.36 0.00 0.00 54.97 55.01 3a2w s GLU 16 Cb -0.00 -3.40 -0.03 0.00 0.26 0.00 0.00 34.13 30.96 3a2w s GLU 16 CO 0.09 0.19 -0.19 0.14 -0.54 0.00 0.00 175.26 174.94 3a2w s VAL 17 N 0.67 1.57 -0.28 3.70 -7.23 0.34 -4.98 120.40 114.19 3a2w s VAL 17 Ca 0.06 -1.35 -0.12 0.00 -1.81 0.00 0.00 61.98 58.77 3a2w s VAL 17 Cb -0.12 -1.41 -0.05 0.00 0.56 0.00 0.00 36.38 35.36 3a2w s VAL 17 CO 0.01 0.02 0.24 -0.89 -0.31 0.00 0.00 175.10 174.17 3a2w s THR 18 N -1.02 5.27 0.49 5.32 2.01 -1.26 -0.67 115.64 125.78 3a2w s THR 18 Ca 0.05 0.26 0.02 0.00 0.31 0.00 0.00 61.69 62.34 3a2w s THR 18 Cb -0.09 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 3a2w s THR 18 CO 0.03 0.22 0.01 0.42 -0.69 0.00 0.00 174.62 174.61 3a2w s THR 19 N 1.84 1.32 -1.84 -0.82 -4.23 -0.02 -0.93 115.64 110.96 3a2w s THR 19 Ca 0.09 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.90 3a2w s THR 19 Cb -0.16 -2.34 0.77 0.00 1.34 0.00 0.00 72.50 72.11 3a2w s THR 19 CO 0.11 0.00 2.11 -0.90 -0.54 0.00 0.00 174.62 175.40 3a2w n ASP 20 N -1.20 0.00 -0.60 3.99 5.68 -0.79 -1.79 116.55 121.84 3a2w n ASP 20 Ca -0.16 -0.73 0.07 0.00 -0.50 0.00 0.00 54.79 53.48 3a2w n ASP 20 Cb 0.67 -0.08 0.06 0.00 -1.14 0.00 0.00 41.12 40.63 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 -1.08 0.01 0.00 2.11 8.25 -1.26 -5.01 115.22 118.24 3a2w n HIS 21 Ca 0.20 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 3a2w n HIS 21 Cb 0.14 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.25 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 0.84 0.67 3.73 -1.41 0.00 -0.74 -5.02 105.19 103.25 3a2w n GLY 22 Ca 0.09 -2.32 -0.40 0.00 0.00 0.00 0.00 46.02 43.38 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 -0.75 4.83 0.11 1.61 1.01 -1.26 -0.84 120.40 125.12 3a2w s VAL 23 Ca 0.00 1.70 0.03 0.00 0.00 0.00 0.00 61.98 63.71 3a2w s VAL 23 Cb 0.00 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 3a2w s VAL 23 CO 0.00 0.29 -0.08 0.27 0.00 0.00 0.00 175.10 175.57 3a2w s ILE 24 N 0.42 0.87 -0.26 2.22 -4.36 0.15 -4.96 121.20 115.27 3a2w s ILE 24 Ca 0.42 -1.90 -0.08 0.00 -0.26 0.00 0.00 60.65 58.82 3a2w s ILE 24 Cb -0.20 -1.65 -0.03 0.00 1.25 0.00 0.00 42.46 41.83 3a2w s ILE 24 CO 0.23 -0.77 0.10 -0.75 0.24 0.00 0.00 174.94 173.98 3a2w s LYS 25 N -3.58 3.67 -0.06 0.37 2.47 -1.26 -0.51 119.74 120.83 3a2w s LYS 25 Ca 0.12 -0.48 -0.03 0.00 -1.56 0.00 0.00 55.97 54.01 3a2w s LYS 25 Cb 0.03 -3.40 -0.04 0.00 -1.46 0.00 0.00 37.83 32.96 3a2w s LYS 25 CO -0.02 -0.21 0.10 -0.51 0.16 0.00 0.00 175.35 174.86 3a2w s LEU 26 N 1.64 4.06 0.00 5.43 1.43 0.13 0.28 118.68 131.65 3a2w s LEU 26 Ca 0.06 0.29 0.19 0.00 -1.03 0.00 0.00 54.13 53.64 3a2w s LEU 26 Cb -0.15 -2.15 0.52 0.00 0.03 0.00 0.00 46.19 44.44 3a2w s LEU 26 CO 0.05 0.34 1.43 -0.81 0.23 0.00 0.00 176.35 177.59 3a2w n PRO 27 N 1.65 2.19 -0.24 1.29 -0.04 -1.26 -1.00 135.00 137.58 3a2w n PRO 27 Ca -0.16 -1.83 0.04 0.00 -0.04 0.00 0.00 63.50 61.51 3a2w n PRO 27 Cb 0.54 -1.43 0.17 0.00 -0.04 0.00 0.00 33.50 32.73 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 3.24 0.15 -1.00 3.54 5.19 -1.89 -1.81 116.42 123.84 3a2w h ASP 28 Ca 0.00 0.12 0.23 0.00 -0.62 0.00 0.00 57.03 56.76 3a2w h ASP 28 Cb 0.73 0.13 -0.12 0.00 0.18 0.00 0.00 39.33 40.25 3a2w h ASP 28 CO 0.00 0.04 0.59 -0.74 -3.12 0.00 0.00 179.24 176.02 3a2w h HIS 29 N 0.35 1.02 0.11 4.55 2.76 -0.53 -1.28 115.15 122.14 3a2w h HIS 29 Ca 0.40 0.04 -0.34 0.00 -2.20 0.00 0.00 60.37 58.26 3a2w h HIS 29 Cb 0.62 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 29.27 3a2w h HIS 29 CO -0.21 0.11 -1.85 1.88 -1.30 0.00 0.00 177.93 176.56 3a2w h TYR 30 N 0.63 0.42 -0.83 5.26 -1.99 -1.70 -3.37 116.97 115.40 3a2w h TYR 30 Ca 0.62 -0.31 0.03 0.00 2.00 0.00 0.00 58.73 61.07 3a2w h TYR 30 Cb 1.12 -0.02 -0.05 0.00 2.00 0.00 0.00 36.73 39.79 3a2w h TYR 30 CO -0.01 1.57 0.55 0.28 -0.00 0.00 0.00 178.16 180.55 3a2w h VAL 31 N 0.06 1.15 0.00 -2.88 2.07 -0.79 -0.86 116.25 115.00 3a2w h VAL 31 Ca -0.36 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 66.80 3a2w h VAL 31 Cb 2.04 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 3a2w h VAL 31 CO 0.11 0.19 0.00 -1.20 0.02 0.00 0.00 177.57 176.69 3a2w n SER 32 N -4.44 0.70 -0.61 0.57 7.64 -0.53 -1.51 113.62 115.44 3a2w n SER 32 Ca 0.10 0.65 0.12 0.00 1.01 0.00 0.00 58.87 60.75 3a2w n SER 32 Cb 0.09 -0.81 0.07 0.00 -1.01 0.00 0.00 64.21 62.55 3a2w n SER 32 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3a2w n GLN 33 N -2.25 1.51 -1.69 1.43 6.02 -0.54 -4.93 117.38 116.94 3a2w n GLN 33 Ca 0.03 -1.22 -0.10 0.00 -0.01 0.00 0.00 57.00 55.70 3a2w n GLN 33 Cb 0.26 -1.47 -0.02 0.00 1.02 0.00 0.00 30.24 30.02 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 1.39 0.59 3.74 1.08 0.00 -0.57 -5.01 105.19 106.41 3a2w n GLY 34 Ca 0.11 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 3a2w n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a2w s LYS 35 N -3.57 2.90 0.57 1.61 1.02 -0.44 -4.80 119.74 117.03 3a2w s LYS 35 Ca 0.00 -0.58 -0.07 0.00 0.02 0.00 0.00 55.97 55.34 3a2w s LYS 35 Cb 0.00 -2.75 -0.01 0.00 -0.52 0.00 0.00 37.83 34.55 3a2w s LYS 35 CO 0.00 0.62 0.90 -1.58 -0.92 0.00 0.00 175.35 174.38 3a2w s TRP 36 N -1.18 3.41 -0.07 3.18 0.52 -0.80 -4.13 118.94 119.87 3a2w s TRP 36 Ca 0.22 0.83 -0.17 0.00 0.02 0.00 0.00 56.10 57.01 3a2w s TRP 36 Cb -0.12 -2.63 0.04 0.00 -1.15 0.00 0.00 33.47 29.61 3a2w s TRP 36 CO 0.13 -0.67 0.40 -0.59 0.02 0.00 0.00 176.95 176.25 3a2w s PHE 37 N -2.98 -0.35 -0.22 -1.98 -0.12 -0.12 -0.83 117.98 111.37 3a2w s PHE 37 Ca 0.52 0.71 -0.04 0.00 -0.05 0.00 0.00 56.93 58.08 3a2w s PHE 37 Cb -0.11 0.16 -0.01 0.00 -0.63 0.00 0.00 43.02 42.44 3a2w s PHE 37 CO 0.47 -0.36 -0.04 0.08 -0.05 0.00 0.00 175.22 175.32 3a2w s VAL 38 N -0.73 3.38 -0.18 -2.49 1.01 0.21 -1.45 120.40 120.15 3a2w s VAL 38 Ca -0.08 -0.49 -0.07 0.00 0.00 0.00 0.00 61.98 61.34 3a2w s VAL 38 Cb -0.04 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 3a2w s VAL 38 CO 0.04 0.42 0.05 -0.22 0.00 0.00 0.00 175.10 175.39 3a2w s LEU 39 N 1.48 3.73 0.02 3.92 2.96 -0.51 -2.21 118.68 128.07 3a2w s LEU 39 Ca 0.06 0.04 -0.00 0.00 -0.22 0.00 0.00 54.13 54.01 3a2w s LEU 39 Cb -0.14 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.59 3a2w s LEU 39 CO -0.03 0.16 -0.02 0.72 -1.32 0.00 0.00 176.35 175.86 3a2w s PHE 40 N 0.42 0.23 0.41 5.38 -0.12 -1.09 0.25 117.98 123.46 3a2w s PHE 40 Ca 0.02 -0.48 0.07 0.00 -0.05 0.00 0.00 56.93 56.49 3a2w s PHE 40 Cb -0.13 -0.17 -0.08 0.00 -0.63 0.00 0.00 43.02 42.01 3a2w s PHE 40 CO 0.01 -0.18 0.02 -1.54 -0.05 0.00 0.00 175.22 173.48 3a2w s SER 41 N -1.37 3.93 0.05 1.98 1.04 -0.85 -1.33 113.70 117.15 3a2w s SER 41 Ca -0.15 -1.34 -0.14 0.00 0.48 0.00 0.00 55.95 54.81 3a2w s SER 41 Cb -0.09 -0.41 0.02 0.00 0.10 0.00 0.00 66.02 65.64 3a2w s SER 41 CO -0.01 -0.45 0.30 -1.38 0.98 0.00 0.00 173.24 172.68 3a2w s HIS 42 N -2.70 -0.10 0.01 5.02 -3.43 -0.00 -4.00 115.29 110.10 3a2w s HIS 42 Ca 0.36 -0.06 -0.03 0.00 -0.80 0.00 0.00 55.06 54.53 3a2w s HIS 42 Cb 0.09 0.09 -0.01 0.00 -1.43 0.00 0.00 32.58 31.32 3a2w s HIS 42 CO 0.18 -0.51 1.05 -1.35 -2.00 0.00 0.00 174.74 172.11 3a2w h PRO 43 N 3.18 -0.05 -3.33 -0.38 0.11 -1.77 -3.40 132.00 126.37 3a2w h PRO 43 Ca -0.32 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.73 3a2w h PRO 43 Cb 1.20 0.01 -0.14 0.00 0.11 0.00 0.00 31.00 32.18 3a2w h PRO 43 CO 0.46 -0.03 -0.10 0.00 -0.21 0.00 0.00 178.00 178.12 3a2w s ALA 44 N -3.77 -0.90 0.78 -0.75 0.00 -1.26 -4.31 121.76 111.54 3a2w s ALA 44 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 51.96 51.84 3a2w s ALA 44 Cb 0.01 0.59 0.06 0.00 0.00 0.00 0.00 23.12 23.77 3a2w s ALA 44 CO 0.05 -0.59 1.08 -0.51 0.00 0.00 0.00 175.76 175.80 3a2w s ASP 45 N -2.60 4.65 -1.32 0.00 1.01 -1.26 -3.85 116.67 113.30 3a2w s ASP 45 Ca 0.01 1.46 -0.08 0.00 0.71 0.00 0.00 52.55 54.64 3a2w s ASP 45 Cb 0.01 -2.22 0.01 0.00 1.01 0.00 0.00 42.92 41.73 3a2w s ASP 45 CO -0.09 -1.89 1.15 0.49 0.21 0.00 0.00 175.17 175.03 3a2w n PHE 46 N -3.40 -2.80 -4.47 4.23 3.01 -1.26 -5.02 117.46 107.75 3a2w n PHE 46 Ca 0.07 0.99 -0.21 0.00 1.01 0.00 0.00 57.45 59.31 3a2w n PHE 46 Cb 0.55 -4.94 -0.14 0.00 -0.01 0.00 0.00 39.48 34.95 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 -3.31 1.21 0.09 4.37 -4.23 -1.25 -5.10 115.64 107.41 3a2w s THR 47 Ca 0.56 -0.94 -0.35 0.00 -1.18 0.00 0.00 61.69 59.77 3a2w s THR 47 Cb -0.25 -1.07 -0.17 0.00 1.34 0.00 0.00 72.50 72.36 3a2w s THR 47 CO 0.71 0.11 1.55 1.55 -0.54 0.00 0.00 174.62 178.00 3a2w h PRO 48 N 5.12 -0.93 -0.37 3.99 0.13 -1.95 -2.51 132.00 135.48 3a2w h PRO 48 Ca -0.38 0.06 0.02 0.00 -0.87 0.00 0.00 66.00 64.84 3a2w h PRO 48 Cb 1.17 0.21 -0.03 0.00 0.13 0.00 0.00 31.00 32.48 3a2w h PRO 48 CO 0.45 -0.62 0.19 0.28 -0.23 0.00 0.00 178.00 178.07 3a2w h VAL 49 N -0.96 1.00 -0.83 1.56 2.07 -1.99 -1.72 116.25 115.38 3a2w h VAL 49 Ca -0.05 -0.14 0.09 0.00 0.82 0.00 0.00 66.70 67.42 3a2w h VAL 49 Cb 0.85 0.57 -0.06 0.00 -1.52 0.00 0.00 31.29 31.13 3a2w h VAL 49 CO -0.10 0.07 0.54 0.28 0.02 0.00 0.00 177.57 178.38 3a2w h SER 50 N 0.39 0.72 -0.21 0.57 0.02 -1.91 -0.86 113.55 112.28 3a2w h SER 50 Ca 0.15 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 3a2w h SER 50 Cb 0.05 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 3a2w h SER 50 CO -0.10 0.43 -0.01 0.74 -1.14 0.00 0.00 176.83 176.75 3a2w h THR 51 N 0.79 1.26 -0.58 -2.27 2.02 -0.87 -1.07 112.91 112.19 3a2w h THR 51 Ca 0.38 -0.89 -0.01 0.00 0.77 0.00 0.00 66.41 66.65 3a2w h THR 51 Cb 0.41 1.44 -0.03 0.00 -1.74 0.00 0.00 68.15 68.23 3a2w h THR 51 CO -0.15 0.27 0.32 0.71 0.37 0.00 0.00 175.52 177.04 3a2w h THR 52 N 0.12 1.18 -0.24 3.16 1.35 -0.73 -1.15 112.91 116.60 3a2w h THR 52 Ca 0.06 -0.44 -0.07 0.00 -0.55 0.00 0.00 66.41 65.41 3a2w h THR 52 Cb 0.41 0.39 -0.01 0.00 -1.73 0.00 0.00 68.15 67.21 3a2w h THR 52 CO 0.01 0.19 -0.13 -0.33 -0.25 0.00 0.00 175.52 175.02 3a2w h GLU 53 N 0.81 0.50 -0.64 4.72 5.08 -0.94 -0.99 114.58 123.12 3a2w h GLU 53 Ca 0.21 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 3a2w h GLU 53 Cb 0.02 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 3a2w h GLU 53 CO -0.03 0.78 0.26 0.74 -1.00 0.00 0.00 179.01 179.76 3a2w h PHE 54 N 0.22 0.93 -0.37 4.33 -1.00 -0.83 -0.63 116.94 119.59 3a2w h PHE 54 Ca 0.05 -0.05 -0.09 0.00 2.81 0.00 0.00 57.97 60.69 3a2w h PHE 54 Cb 0.63 -0.29 -0.02 0.00 3.61 0.00 0.00 35.95 39.89 3a2w h PHE 54 CO 0.06 0.71 -0.14 0.28 -1.61 0.00 0.00 178.31 177.61 3a2w h VAL 55 N 0.91 1.25 -0.57 -0.55 2.07 -1.10 -1.37 116.25 116.90 3a2w h VAL 55 Ca 0.22 -1.16 -0.10 0.00 0.82 0.00 0.00 66.70 66.48 3a2w h VAL 55 Cb 0.16 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3a2w h VAL 55 CO -0.02 0.39 -0.03 -1.28 0.02 0.00 0.00 177.57 176.65 3a2w h SER 56 N 0.60 1.00 -0.31 0.57 0.87 -0.03 -1.97 113.55 114.29 3a2w h SER 56 Ca 0.10 -0.32 -0.10 0.00 -1.23 0.00 0.00 61.79 60.24 3a2w h SER 56 Cb 0.59 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 3a2w h SER 56 CO 0.04 1.08 -0.21 -0.26 -0.53 0.00 0.00 176.83 176.95 3a2w h PHE 57 N 0.90 0.81 -0.73 2.24 -1.00 -1.02 -3.04 116.94 115.10 3a2w h PHE 57 Ca 0.16 -0.22 -0.01 0.00 2.81 0.00 0.00 57.97 60.71 3a2w h PHE 57 Cb 0.58 -0.18 -0.03 0.00 3.61 0.00 0.00 35.95 39.93 3a2w h PHE 57 CO 0.04 0.94 0.42 0.00 -1.61 0.00 0.00 178.31 178.10 3a2w h ALA 58 N 0.74 0.93 0.00 2.45 0.00 -1.15 0.69 119.26 122.92 3a2w h ALA 58 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3a2w h ALA 58 Cb 0.76 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3a2w h ALA 58 CO 0.06 0.42 0.00 0.54 0.00 0.00 0.00 179.25 180.27 3a2w n ARG 59 N -4.50 0.16 -0.05 0.00 1.74 -0.75 -2.26 116.66 111.00 3a2w n ARG 59 Ca 0.06 0.39 0.02 0.00 -0.77 0.00 0.00 57.85 57.55 3a2w n ARG 59 Cb 0.07 -1.80 0.04 0.00 -1.02 0.00 0.00 32.46 29.76 3a2w n ARG 59 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3a2w n ARG 60 N -2.09 2.32 -0.17 5.56 1.74 -0.79 -4.75 116.66 118.48 3a2w n ARG 60 Ca 0.02 -1.51 -0.01 0.00 -0.77 0.00 0.00 57.85 55.58 3a2w n ARG 60 Cb 0.22 -1.09 0.07 0.00 -1.02 0.00 0.00 32.46 30.65 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 0.69 0.06 0.00 -1.55 3.20 -0.44 -0.69 116.97 118.25 3a2w h TYR 61 Ca 0.00 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 3a2w h TYR 61 Cb 0.50 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.82 3a2w h TYR 61 CO 0.06 -0.07 -0.09 0.93 -1.64 0.00 0.00 178.16 177.36 3a2w h GLU 62 N 0.17 0.00 -0.40 1.82 5.08 -1.85 -1.17 114.58 118.23 3a2w h GLU 62 Ca 0.27 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.54 3a2w h GLU 62 Cb 0.39 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 3a2w h GLU 62 CO -0.40 0.09 -0.12 -0.44 -1.00 0.00 0.00 179.01 177.14 3a2w h ASP 63 N 0.00 0.70 0.39 1.42 3.32 -1.48 0.13 116.42 120.89 3a2w h ASP 63 Ca -0.00 -0.20 -0.17 0.00 0.02 0.00 0.00 57.03 56.67 3a2w h ASP 63 Cb 0.15 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3a2w h ASP 63 CO 0.01 0.84 -0.71 -0.26 -1.72 0.00 0.00 179.24 177.40 3a2w h PHE 64 N 0.64 0.38 0.00 4.55 -1.00 -0.93 -2.76 116.94 117.82 3a2w h PHE 64 Ca 0.11 -0.17 -0.09 0.00 2.81 0.00 0.00 57.97 60.64 3a2w h PHE 64 Cb 0.57 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 40.06 3a2w h PHE 64 CO 0.03 0.90 -0.42 1.96 -1.61 0.00 0.00 178.31 179.17 3a2w h GLN 65 N 0.19 0.00 0.00 1.51 4.20 -0.86 0.55 115.11 120.70 3a2w h GLN 65 Ca -0.02 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 3a2w h GLN 65 Cb 1.27 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.05 3a2w h GLN 65 CO 0.11 0.42 -0.22 -0.09 -0.67 0.00 0.00 178.83 178.38 3a2w h ARG 66 N 0.00 0.00 -0.59 1.46 2.43 -0.47 -1.97 114.38 115.25 3a2w h ARG 66 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3a2w h ARG 66 Cb 0.87 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 3a2w h ARG 66 CO 0.05 0.22 0.00 1.28 -1.51 0.00 0.00 179.97 180.01 3a2w n LEU 67 N -3.56 4.36 -3.53 3.80 4.77 -0.76 -4.93 117.00 117.14 3a2w n LEU 67 Ca -0.01 -2.39 -0.23 0.00 -0.03 0.00 0.00 56.01 53.36 3a2w n LEU 67 Cb 0.36 -0.52 0.08 0.00 -2.33 0.00 0.00 43.42 41.01 3a2w n LEU 67 CO 0.33 0.81 0.23 0.61 -1.33 0.00 0.00 177.39 178.04 3a2w n GLY 68 N 0.96 -0.50 3.10 -0.72 0.00 -0.74 -4.87 105.19 102.42 3a2w n GLY 68 Ca 0.23 0.23 -0.30 0.00 0.00 0.00 0.00 46.02 46.18 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 -3.32 1.75 0.33 1.61 1.01 0.19 -1.91 120.40 120.06 3a2w s VAL 69 Ca 0.52 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.73 3a2w s VAL 69 Cb -0.23 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 3a2w s VAL 69 CO 0.72 0.49 0.51 -1.81 0.00 0.00 0.00 175.10 175.01 3a2w s ASP 70 N 0.99 6.22 0.14 3.32 1.01 -0.01 -3.59 116.67 124.74 3a2w s ASP 70 Ca -0.05 0.29 0.10 0.00 0.71 0.00 0.00 52.55 53.60 3a2w s ASP 70 Cb -0.15 -1.87 -0.04 0.00 1.01 0.00 0.00 42.92 41.88 3a2w s ASP 70 CO -0.03 -0.30 -0.24 -0.76 0.21 0.00 0.00 175.17 174.05 3a2w s LEU 71 N -4.26 2.34 -0.29 1.23 1.43 -1.26 -0.62 118.68 117.26 3a2w s LEU 71 Ca 0.40 -0.76 -0.10 0.00 -1.03 0.00 0.00 54.13 52.63 3a2w s LEU 71 Cb -0.09 -1.07 0.12 0.00 0.03 0.00 0.00 46.19 45.17 3a2w s LEU 71 CO 0.34 0.11 0.63 -0.51 0.23 0.00 0.00 176.35 177.15 3a2w s ILE 72 N -1.29 -0.86 0.81 -0.59 2.07 -0.94 -4.25 121.20 116.15 3a2w s ILE 72 Ca 0.13 0.02 -0.06 0.00 -1.41 0.00 0.00 60.65 59.33 3a2w s ILE 72 Cb -0.09 -0.97 0.16 0.00 0.13 0.00 0.00 42.46 41.69 3a2w s ILE 72 CO 0.06 0.01 1.12 -0.83 -1.91 0.00 0.00 174.94 173.39 3a2w s GLY 73 N 2.74 1.77 -0.28 1.50 0.00 0.14 -2.68 107.32 110.51 3a2w s GLY 73 Ca -0.06 -1.60 -0.18 0.00 0.00 0.00 0.00 44.72 42.88 3a2w s GLY 73 CO -0.18 -0.94 0.71 -2.27 0.00 0.00 0.00 173.10 170.42 3a2w s LEU 74 N -5.42 -0.88 0.17 0.66 2.96 -0.44 0.87 118.68 116.60 3a2w s LEU 74 Ca 0.70 1.47 -0.16 0.00 -0.22 0.00 0.00 54.13 55.92 3a2w s LEU 74 Cb -0.04 2.37 0.02 0.00 0.50 0.00 0.00 46.19 49.04 3a2w s LEU 74 CO 0.48 -0.24 0.44 -0.94 -1.32 0.00 0.00 176.35 174.77 3a2w s SER 75 N 1.34 -0.20 0.00 3.68 1.04 -0.90 -0.82 113.70 117.84 3a2w s SER 75 Ca -0.08 -0.50 0.28 0.00 0.48 0.00 0.00 55.95 56.13 3a2w s SER 75 Cb -0.05 0.52 1.58 0.00 0.10 0.00 0.00 66.02 68.17 3a2w s SER 75 CO -0.15 -0.96 1.99 0.55 0.98 0.00 0.00 173.24 175.65 3a2w n VAL 76 N -0.28 0.04 -1.61 5.02 3.14 -1.26 0.40 118.33 123.77 3a2w n VAL 76 Ca -0.11 0.01 -0.31 0.00 -2.96 0.00 0.00 64.34 60.97 3a2w n VAL 76 Cb 0.63 -0.57 0.06 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 -2.16 5.14 0.84 6.55 1.11 -1.26 -2.75 116.67 124.13 3a2w s ASP 77 Ca 0.37 1.46 -0.12 0.00 0.18 0.00 0.00 52.55 54.44 3a2w s ASP 77 Cb 0.19 -2.29 0.10 0.00 1.07 0.00 0.00 42.92 41.98 3a2w s ASP 77 CO 0.35 -1.58 1.16 -0.94 1.18 0.00 0.00 175.17 175.34 3a2w s SER 78 N -3.90 4.21 0.29 0.27 1.04 -1.26 -3.59 113.70 110.76 3a2w s SER 78 Ca 0.59 0.88 0.03 0.00 0.48 0.00 0.00 55.95 57.93 3a2w s SER 78 Cb -0.14 -1.42 0.46 0.00 0.10 0.00 0.00 66.02 65.02 3a2w s SER 78 CO 0.54 -2.10 1.75 -0.37 0.98 0.00 0.00 173.24 174.04 3a2w h VAL 79 N -1.19 1.25 -0.66 5.02 -1.51 -1.94 -2.61 116.25 114.62 3a2w h VAL 79 Ca -0.48 -1.20 0.05 0.00 -1.23 0.00 0.00 66.70 63.84 3a2w h VAL 79 Cb 1.32 1.32 -0.05 0.00 -2.13 0.00 0.00 31.29 31.75 3a2w h VAL 79 CO 0.64 0.38 0.38 -0.26 -1.23 0.00 0.00 177.57 177.48 3a2w h PHE 80 N 0.41 0.71 -0.30 5.19 -1.00 -1.99 -1.06 116.94 118.89 3a2w h PHE 80 Ca 0.06 0.02 -0.05 0.00 2.81 0.00 0.00 57.97 60.82 3a2w h PHE 80 Cb 0.62 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 39.95 3a2w h PHE 80 CO 0.02 0.36 0.01 0.77 -1.61 0.00 0.00 178.31 177.86 3a2w h SER 81 N 0.72 0.51 -0.31 2.17 0.02 -1.90 -0.98 113.55 113.79 3a2w h SER 81 Ca 0.28 -0.30 0.07 0.00 -0.84 0.00 0.00 61.79 61.00 3a2w h SER 81 Cb 0.12 -0.14 -0.08 0.00 0.14 0.00 0.00 62.40 62.44 3a2w h SER 81 CO -0.15 0.69 -0.27 0.45 -1.14 0.00 0.00 176.83 176.40 3a2w h HIS 82 N 0.32 -0.73 -0.44 3.45 3.86 -1.04 0.66 115.15 121.23 3a2w h HIS 82 Ca 0.09 0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 3a2w h HIS 82 Cb 0.42 0.37 -0.02 0.00 1.06 0.00 0.00 27.41 29.24 3a2w h HIS 82 CO 0.03 -0.34 0.24 0.82 0.86 0.00 0.00 177.93 179.53 3a2w h ILE 83 N -0.25 1.16 -0.52 2.45 2.04 -1.10 0.10 117.51 121.39 3a2w h ILE 83 Ca 0.16 -0.42 -0.03 0.00 1.00 0.00 0.00 64.86 65.57 3a2w h ILE 83 Cb 0.49 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 3a2w h ILE 83 CO -0.45 0.17 0.23 0.11 0.00 0.00 0.00 178.15 178.20 3a2w h LYS 84 N 0.57 0.77 -0.62 2.37 1.79 -0.48 -0.81 116.57 120.15 3a2w h LYS 84 Ca 0.15 -0.13 -0.01 0.00 -2.18 0.00 0.00 60.65 58.48 3a2w h LYS 84 Cb 0.06 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 30.55 3a2w h LYS 84 CO -0.02 0.66 0.34 2.35 -1.08 0.00 0.00 179.45 181.70 3a2w h TRP 85 N 0.70 0.85 -0.64 -1.35 7.01 0.60 -0.86 115.95 122.26 3a2w h TRP 85 Ca 0.18 -0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.13 3a2w h TRP 85 Cb 0.16 -0.27 -0.03 0.00 -2.10 0.00 0.00 29.16 26.92 3a2w h TRP 85 CO 0.00 0.61 0.29 0.87 -2.79 0.00 0.00 178.44 177.42 3a2w h LYS 86 N 0.84 0.92 -0.58 2.65 1.57 -0.47 -1.82 116.57 119.69 3a2w h LYS 86 Ca 0.22 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3a2w h LYS 86 Cb 0.04 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 3a2w h LYS 86 CO -0.04 0.73 0.38 0.93 -0.57 0.00 0.00 179.45 180.88 3a2w h GLU 87 N 0.92 0.77 -0.51 3.15 5.08 0.03 -1.98 114.58 122.04 3a2w h GLU 87 Ca 0.22 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3a2w h GLU 87 Cb 0.13 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3a2w h GLU 87 CO -0.03 0.52 0.32 2.35 -1.00 0.00 0.00 179.01 181.18 3a2w h TRP 88 N 0.79 0.66 -0.28 4.33 7.01 -0.41 -0.90 115.95 127.15 3a2w h TRP 88 Ca 0.21 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.20 3a2w h TRP 88 Cb -0.07 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 26.76 3a2w h TRP 88 CO -0.03 0.44 0.12 0.82 -2.79 0.00 0.00 178.44 177.00 3a2w h ILE 89 N 0.68 1.17 -0.62 2.65 2.04 -1.12 0.27 117.51 122.57 3a2w h ILE 89 Ca 0.18 -0.50 -0.04 0.00 1.00 0.00 0.00 64.86 65.51 3a2w h ILE 89 Cb -0.04 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 3a2w h ILE 89 CO -0.04 0.17 0.25 -0.08 0.00 0.00 0.00 178.15 178.45 3a2w h GLU 90 N 0.31 0.93 -0.20 2.37 4.81 -1.27 0.17 114.58 121.70 3a2w h GLU 90 Ca 0.09 -0.17 -0.17 0.00 -0.13 0.00 0.00 59.36 58.99 3a2w h GLU 90 Cb 0.16 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.39 3a2w h GLU 90 CO -0.01 0.79 -0.54 -0.09 -0.73 0.00 0.00 179.01 178.43 3a2w h ARG 91 N 0.87 0.72 0.00 1.92 2.43 -0.95 -2.59 114.38 116.77 3a2w h ARG 91 Ca 0.21 -0.51 -0.05 0.00 -0.81 0.00 0.00 59.98 58.82 3a2w h ARG 91 Cb 0.20 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3a2w h ARG 91 CO -0.02 1.13 -1.69 0.72 -1.51 0.00 0.00 179.97 178.59 3a2w n HIS 92 N -4.11 0.38 -0.01 2.20 8.25 0.92 -4.54 115.22 118.30 3a2w n HIS 92 Ca -0.06 0.11 0.01 0.00 -0.26 0.00 0.00 57.72 57.52 3a2w n HIS 92 Cb 0.62 -0.74 -0.05 0.00 1.12 0.00 0.00 29.99 30.94 3a2w n HIS 92 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3a2w n ILE 93 N -2.49 0.15 -0.34 1.59 5.41 0.56 -4.74 119.36 119.50 3a2w n ILE 93 Ca -0.06 -0.18 0.00 0.00 1.00 0.00 0.00 62.75 63.51 3a2w n ILE 93 Cb 0.65 -0.10 0.00 0.00 -0.71 0.00 0.00 39.64 39.47 3a2w n ILE 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3a2w n GLY 94 N 2.34 0.82 3.21 7.39 0.00 -0.87 -4.88 105.19 113.19 3a2w n GLY 94 Ca -0.04 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 3a2w n GLY 94 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3a2w s VAL 95 N -2.00 1.97 -0.21 1.61 -7.23 -1.25 -4.97 120.40 108.33 3a2w s VAL 95 Ca 0.00 -0.98 -0.17 0.00 -1.81 0.00 0.00 61.98 59.02 3a2w s VAL 95 Cb 0.00 -1.71 -0.03 0.00 0.56 0.00 0.00 36.38 35.20 3a2w s VAL 95 CO 0.00 0.54 0.47 -0.60 -0.31 0.00 0.00 175.10 175.20 3a2w s ARG 96 N 0.29 4.16 -0.36 4.82 3.52 -1.26 -3.23 118.95 126.88 3a2w s ARG 96 Ca -0.16 0.30 -0.29 0.00 -0.13 0.00 0.00 55.73 55.45 3a2w s ARG 96 Cb -0.17 -3.57 0.01 0.00 -1.56 0.00 0.00 34.95 29.65 3a2w s ARG 96 CO 0.08 -0.15 1.31 0.42 -0.81 0.00 0.00 175.30 176.15 3a2w s ILE 97 N 1.65 4.07 -0.61 4.11 -1.09 -1.26 -4.88 121.20 123.20 3a2w s ILE 97 Ca 0.21 1.16 0.25 0.00 -2.23 0.00 0.00 60.65 60.04 3a2w s ILE 97 Cb -0.15 -4.24 0.19 0.00 -1.58 0.00 0.00 42.46 36.68 3a2w s ILE 97 CO 0.09 -0.64 1.53 1.55 -1.23 0.00 0.00 174.94 176.24 3a2w h PRO 98 N 9.76 0.00 -6.33 2.79 0.13 -1.95 -3.47 132.00 132.93 3a2w h PRO 98 Ca -0.26 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.43 3a2w h PRO 98 Cb 1.09 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.23 3a2w h PRO 98 CO 1.06 0.00 -0.34 -0.59 -0.23 0.00 0.00 178.00 177.91 3a2w s PHE 99 N -3.17 3.13 0.52 1.56 -0.12 -1.26 -5.11 117.98 113.54 3a2w s PHE 99 Ca 0.08 -0.19 -0.14 0.00 -0.05 0.00 0.00 56.93 56.62 3a2w s PHE 99 Cb 0.11 -1.99 -0.07 0.00 -0.63 0.00 0.00 43.02 40.45 3a2w s PHE 99 CO 0.67 -0.00 0.95 -1.25 -0.05 0.00 0.00 175.22 175.54 3a2w s PRO 100 N -4.18 3.83 -0.06 1.99 0.04 -1.26 -4.91 135.00 130.45 3a2w s PRO 100 Ca 0.45 0.80 0.05 0.00 0.04 0.00 0.00 61.00 62.33 3a2w s PRO 100 Cb -0.10 -2.17 -0.00 0.00 0.04 0.00 0.00 34.50 32.27 3a2w s PRO 100 CO 0.31 -0.30 -0.21 0.42 0.04 0.00 0.00 177.00 177.27 3a2w s ILE 101 N -2.71 1.74 0.16 0.56 1.01 -1.26 0.24 121.20 120.94 3a2w s ILE 101 Ca 0.56 -0.88 -0.23 0.00 0.00 0.00 0.00 60.65 60.11 3a2w s ILE 101 Cb -0.10 -1.49 -0.08 0.00 0.01 0.00 0.00 42.46 40.80 3a2w s ILE 101 CO 0.37 0.49 0.72 -0.63 0.00 0.00 0.00 174.94 175.89 3a2w s ILE 102 N 0.06 4.49 -0.38 2.92 1.01 0.25 -1.89 121.20 127.66 3a2w s ILE 102 Ca -0.07 1.51 -0.10 0.00 0.00 0.00 0.00 60.65 61.99 3a2w s ILE 102 Cb -0.14 -4.03 0.04 0.00 0.01 0.00 0.00 42.46 38.34 3a2w s ILE 102 CO 0.04 0.47 0.20 0.00 0.00 0.00 0.00 174.94 175.65 3a2w s ALA 103 N -1.22 3.25 -0.66 9.38 0.00 -0.10 -2.11 121.76 130.30 3a2w s ALA 103 Ca 0.36 -1.80 0.03 0.00 0.00 0.00 0.00 51.96 50.55 3a2w s ALA 103 Cb -0.21 -2.57 0.35 0.00 0.00 0.00 0.00 23.12 20.69 3a2w s ALA 103 CO 0.24 -1.43 1.22 -3.47 0.00 0.00 0.00 175.76 172.31 3a2w n ASP 104 N 4.96 5.30 -4.73 0.00 2.03 0.16 -4.66 116.55 119.61 3a2w n ASP 104 Ca -0.12 -3.70 -0.36 0.00 0.52 0.00 0.00 54.79 51.13 3a2w n ASP 104 Cb 0.45 -0.70 0.07 0.00 -0.72 0.00 0.00 41.12 40.22 3a2w n ASP 104 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3a2w s PRO 105 N -3.70 2.51 0.00 -0.67 0.04 -1.11 -1.33 135.00 130.74 3a2w s PRO 105 Ca 0.47 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.38 3a2w s PRO 105 Cb 0.29 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.97 3a2w s PRO 105 CO -0.16 -1.58 0.00 1.04 0.04 0.00 0.00 177.00 176.34 3a2w n GLN 106 N -2.14 0.00 -3.76 4.56 1.13 -1.26 -4.16 117.38 111.75 3a2w n GLN 106 Ca 0.14 0.00 -0.25 0.00 -1.94 0.00 0.00 57.00 54.96 3a2w n GLN 106 Cb 0.49 -1.86 0.04 0.00 0.11 0.00 0.00 30.24 29.02 3a2w n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3a2w n GLY 107 N -2.00 -0.40 0.09 1.08 0.00 -0.44 -4.93 105.19 98.59 3a2w n GLY 107 Ca 0.00 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.04 1.26 -0.10 2.61 2.02 -1.74 -2.25 112.91 112.67 3a2w h THR 108 Ca -0.59 -1.47 -0.02 0.00 0.77 0.00 0.00 66.41 65.09 3a2w h THR 108 Cb 1.37 2.16 -0.00 0.00 -1.74 0.00 0.00 68.15 69.94 3a2w h THR 108 CO 0.60 0.35 -0.03 0.58 0.37 0.00 0.00 175.52 177.39 3a2w h VAL 109 N -0.79 1.30 -0.68 3.16 2.07 -1.91 -2.93 116.25 116.47 3a2w h VAL 109 Ca -0.01 -0.99 0.14 0.00 0.82 0.00 0.00 66.70 66.66 3a2w h VAL 109 Cb 0.63 1.76 -0.13 0.00 -1.52 0.00 0.00 31.29 32.03 3a2w h VAL 109 CO 0.01 0.28 -0.19 0.00 0.02 0.00 0.00 177.57 177.69 3a2w h ALA 110 N 0.67 0.41 -0.67 1.67 0.00 -1.90 -0.31 119.26 119.13 3a2w h ALA 110 Ca 0.02 0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 3a2w h ALA 110 Cb 0.46 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 3a2w h ALA 110 CO 0.01 -0.44 0.32 -0.09 0.00 0.00 0.00 179.25 179.05 3a2w h ARG 111 N -0.02 0.96 0.00 0.00 2.43 -1.38 -0.54 114.38 115.84 3a2w h ARG 111 Ca 0.32 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 3a2w h ARG 111 Cb 0.51 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3a2w h ARG 111 CO -0.71 0.76 -0.10 -0.09 -1.51 0.00 0.00 179.97 178.31 3a2w h ARG 112 N 0.92 0.00 -0.60 0.20 1.12 -0.90 -2.23 114.38 112.89 3a2w h ARG 112 Ca 0.23 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.10 3a2w h ARG 112 Cb 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.07 3a2w h ARG 112 CO -0.03 0.10 0.00 1.28 -3.11 0.00 0.00 179.97 178.21 3a2w n LEU 113 N -3.70 3.63 -3.65 3.80 4.77 -0.65 -4.44 117.00 116.75 3a2w n LEU 113 Ca -0.02 -1.95 -0.25 0.00 -0.03 0.00 0.00 56.01 53.76 3a2w n LEU 113 Cb 0.21 -0.40 0.07 0.00 -2.33 0.00 0.00 43.42 40.97 3a2w n LEU 113 CO 0.30 0.90 0.21 0.61 -1.33 0.00 0.00 177.39 178.07 3a2w n GLY 114 N 1.33 -0.52 0.10 -0.72 0.00 -0.83 -4.57 105.19 99.98 3a2w n GLY 114 Ca 0.21 0.23 0.12 0.00 0.00 0.00 0.00 46.02 46.57 3a2w n GLY 114 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a2w n LEU 115 N -4.88 0.89 -4.52 0.99 4.77 -0.27 -4.79 117.00 109.20 3a2w n LEU 115 Ca -0.01 -0.25 -0.42 0.00 -0.03 0.00 0.00 56.01 55.30 3a2w n LEU 115 Cb 0.56 -0.14 -0.09 0.00 -2.33 0.00 0.00 43.42 41.42 3a2w n LEU 115 CO 0.67 0.19 0.05 -0.76 -1.33 0.00 0.00 177.39 176.22 3a2w s LEU 116 N -2.84 4.63 0.57 2.23 1.43 -1.26 -1.78 118.68 121.65 3a2w s LEU 116 Ca 0.14 -0.43 0.07 0.00 -1.03 0.00 0.00 54.13 52.88 3a2w s LEU 116 Cb 0.18 -2.34 0.07 0.00 0.03 0.00 0.00 46.19 44.12 3a2w s LEU 116 CO 0.69 -0.43 0.59 -1.00 0.23 0.00 0.00 176.35 176.43 3a2w s HIS 117 N 2.04 1.40 0.34 0.29 3.76 -1.25 -4.99 115.29 116.87 3a2w s HIS 117 Ca 0.11 -0.83 0.02 0.00 -0.15 0.00 0.00 55.06 54.22 3a2w s HIS 117 Cb -0.17 -2.02 0.61 0.00 1.11 0.00 0.00 32.58 32.11 3a2w s HIS 117 CO 0.12 -0.83 1.98 0.00 -0.85 0.00 0.00 174.74 175.15 3a2w h ALA 118 N 0.45 1.55 -0.69 -1.40 0.00 -1.97 -2.95 119.26 114.26 3a2w h ALA 118 Ca -0.33 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 54.67 3a2w h ALA 118 Cb 1.30 -0.26 -0.13 0.00 0.00 0.00 0.00 17.79 18.70 3a2w h ALA 118 CO 0.50 0.38 -0.30 0.93 0.00 0.00 0.00 179.25 180.76 3a2w h GLU 119 N 0.91 -0.09 -3.64 0.00 5.08 -1.96 -3.41 114.58 111.47 3a2w h GLU 119 Ca 0.29 0.01 -0.28 0.00 -1.00 0.00 0.00 59.36 58.37 3a2w h GLU 119 Cb 0.02 0.02 -0.32 0.00 0.50 0.00 0.00 28.75 28.98 3a2w h GLU 119 CO -0.08 -0.06 -0.73 0.45 -1.00 0.00 0.00 179.01 177.59 3a2w s SER 120 N -5.21 0.09 0.14 1.42 0.15 -1.11 -5.02 113.70 104.15 3a2w s SER 120 Ca -0.14 0.02 0.25 0.00 0.70 0.00 0.00 55.95 56.77 3a2w s SER 120 Cb 0.18 -0.06 0.45 0.00 -1.71 0.00 0.00 66.02 64.89 3a2w s SER 120 CO 0.71 -0.07 1.43 0.00 1.20 0.00 0.00 173.24 176.51 3a2w n ALA 121 N 3.73 2.78 -0.08 5.45 0.00 -1.26 -3.96 120.51 127.16 3a2w n ALA 121 Ca -0.21 -0.20 -0.09 0.00 0.00 0.00 0.00 53.44 52.94 3a2w n ALA 121 Cb 0.54 -1.24 -0.12 0.00 0.00 0.00 0.00 19.45 18.63 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 -2.15 1.11 -4.75 0.00 -2.24 -1.26 -5.01 114.28 99.97 3a2w n THR 122 Ca 0.04 -0.61 -0.31 0.00 -2.27 0.00 0.00 64.05 60.89 3a2w n THR 122 Cb 0.44 -0.74 -0.13 0.00 -2.10 0.00 0.00 70.33 67.80 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 -2.39 2.53 0.70 4.78 4.02 -1.26 -4.93 115.29 118.74 3a2w s HIS 123 Ca -0.13 -0.28 -0.12 0.00 1.02 0.00 0.00 55.06 55.55 3a2w s HIS 123 Cb 0.05 -1.47 0.01 0.00 -1.02 0.00 0.00 32.58 30.15 3a2w s HIS 123 CO 0.60 0.21 1.07 0.95 1.02 0.00 0.00 174.74 178.60 3a2w s THR 124 N -0.87 3.70 0.01 1.30 -4.23 -1.26 -4.60 115.64 109.69 3a2w s THR 124 Ca 0.14 0.62 -0.00 0.00 -1.18 0.00 0.00 61.69 61.27 3a2w s THR 124 Cb -0.10 -3.22 0.00 0.00 1.34 0.00 0.00 72.50 70.52 3a2w s THR 124 CO 0.04 -0.65 0.02 1.33 -0.54 0.00 0.00 174.62 174.81 3a2w n VAL 125 N -2.97 0.00 -3.00 2.29 0.24 -0.74 -3.33 118.33 110.83 3a2w n VAL 125 Ca 0.08 -0.02 -0.44 0.00 -2.04 0.00 0.00 64.34 61.93 3a2w n VAL 125 Cb 0.53 -1.69 0.00 0.00 -1.47 0.00 0.00 33.84 31.22 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 -1.03 3.65 -2.69 7.34 1.74 -0.34 -3.97 116.66 121.35 3a2w n ARG 126 Ca 0.00 -4.12 -0.30 0.00 -0.77 0.00 0.00 57.85 52.66 3a2w n ARG 126 Cb 0.01 -2.77 -0.03 0.00 -1.02 0.00 0.00 32.46 28.65 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 1.26 1.90 -0.04 -0.13 0.00 -1.26 -1.54 107.32 107.51 3a2w s GLY 127 Ca 0.36 -0.16 -0.02 0.00 0.00 0.00 0.00 44.72 44.90 3a2w s GLY 127 CO -0.01 0.04 0.05 0.14 0.00 0.00 0.00 173.10 173.33 3a2w s VAL 128 N -2.50 -0.08 -0.21 1.40 1.01 0.70 -2.00 120.40 118.72 3a2w s VAL 128 Ca 0.52 0.39 -0.01 0.00 0.00 0.00 0.00 61.98 62.88 3a2w s VAL 128 Cb -0.10 -0.16 0.02 0.00 0.00 0.00 0.00 36.38 36.13 3a2w s VAL 128 CO 0.34 0.17 -0.12 -0.36 0.00 0.00 0.00 175.10 175.14 3a2w s PHE 129 N 2.01 2.94 -0.28 5.22 0.40 0.14 -1.15 117.98 127.26 3a2w s PHE 129 Ca 0.03 -1.51 -0.14 0.00 -0.60 0.00 0.00 56.93 54.72 3a2w s PHE 129 Cb -0.12 -2.00 -0.04 0.00 0.51 0.00 0.00 43.02 41.37 3a2w s PHE 129 CO -0.03 -0.73 0.32 0.42 0.70 0.00 0.00 175.22 175.89 3a2w s ILE 130 N 1.33 5.22 -0.12 0.64 1.09 -0.36 -1.43 121.20 127.57 3a2w s ILE 130 Ca 0.03 0.42 0.02 0.00 -1.10 0.00 0.00 60.65 60.02 3a2w s ILE 130 Cb -0.15 -3.65 0.01 0.00 -1.06 0.00 0.00 42.46 37.61 3a2w s ILE 130 CO -0.08 0.18 -0.19 -0.69 -0.10 0.00 0.00 174.94 174.06 3a2w s VAL 131 N 1.97 1.77 0.96 2.92 1.01 -0.53 -0.35 120.40 128.16 3a2w s VAL 131 Ca 0.12 -0.81 -0.15 0.00 0.00 0.00 0.00 61.98 61.14 3a2w s VAL 131 Cb -0.16 -1.59 0.18 0.00 0.00 0.00 0.00 36.38 34.81 3a2w s VAL 131 CO 0.10 0.49 1.22 1.51 0.00 0.00 0.00 175.10 178.42 3a2w s ASP 132 N 0.85 3.09 0.00 3.32 1.47 -0.64 -0.95 116.67 123.81 3a2w s ASP 132 Ca -0.08 0.59 0.00 0.00 1.18 0.00 0.00 52.55 54.24 3a2w s ASP 132 Cb -0.15 -0.88 0.00 0.00 -0.34 0.00 0.00 42.92 41.54 3a2w s ASP 132 CO -0.01 -2.78 0.91 0.00 0.68 0.00 0.00 175.17 173.97 3a2w n ALA 133 N -3.86 1.06 1.16 2.11 0.00 -1.26 0.32 120.51 120.05 3a2w n ALA 133 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.68 3a2w n ALA 133 Cb 0.60 -0.98 0.23 0.00 0.00 0.00 0.00 19.45 19.30 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 -1.41 1.96 -1.04 0.00 1.74 -1.26 -4.61 116.66 112.04 3a2w n ARG 134 Ca 0.00 -1.49 -0.01 0.00 -0.77 0.00 0.00 57.85 55.58 3a2w n ARG 134 Cb 0.01 -1.47 -0.01 0.00 -1.02 0.00 0.00 32.46 29.97 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 1.30 0.51 3.78 -0.13 0.00 0.15 -4.95 105.19 105.85 3a2w n GLY 135 Ca 0.15 -0.82 -0.36 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.04 5.44 -0.10 1.61 1.01 -1.25 0.77 120.40 125.84 3a2w s VAL 136 Ca 0.00 0.20 -0.29 0.00 0.00 0.00 0.00 61.98 61.89 3a2w s VAL 136 Cb 0.00 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 3a2w s VAL 136 CO 0.00 0.50 1.48 -0.63 0.00 0.00 0.00 175.10 176.45 3a2w s ILE 137 N -0.12 3.89 -0.10 2.22 1.01 -0.65 -1.62 121.20 125.83 3a2w s ILE 137 Ca 0.10 1.08 0.16 0.00 0.00 0.00 0.00 60.65 62.00 3a2w s ILE 137 Cb -0.11 -3.69 -0.24 0.00 0.01 0.00 0.00 42.46 38.42 3a2w s ILE 137 CO 0.00 -0.10 0.22 0.54 0.00 0.00 0.00 174.94 175.60 3a2w n ARG 138 N 6.90 0.93 -3.55 2.79 5.12 0.53 -0.55 116.66 128.83 3a2w n ARG 138 Ca 0.16 -0.08 -0.17 0.00 -1.93 0.00 0.00 57.85 55.82 3a2w n ARG 138 Cb 0.44 -1.43 -0.06 0.00 -1.16 0.00 0.00 32.46 30.24 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 -2.80 0.01 -0.02 0.55 2.01 -1.17 -4.91 115.64 109.31 3a2w s THR 139 Ca -0.07 -0.06 0.00 0.00 0.31 0.00 0.00 61.69 61.87 3a2w s THR 139 Cb 0.08 -0.96 0.02 0.00 0.01 0.00 0.00 72.50 71.65 3a2w s THR 139 CO 0.72 -0.03 0.01 -0.04 -0.69 0.00 0.00 174.62 174.58 3a2w s MET 140 N -1.26 0.10 -0.02 4.92 -1.94 -1.26 -1.22 119.30 118.62 3a2w s MET 140 Ca -0.11 0.08 0.03 0.00 -1.71 0.00 0.00 55.69 53.98 3a2w s MET 140 Cb -0.01 -0.26 -0.00 0.00 2.01 0.00 0.00 34.83 36.57 3a2w s MET 140 CO 0.09 -0.09 -0.11 -0.51 -0.01 0.00 0.00 175.02 174.38 3a2w s LEU 141 N 0.69 1.91 -0.31 -0.03 1.43 -0.30 -4.97 118.68 117.11 3a2w s LEU 141 Ca -0.06 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 3a2w s LEU 141 Cb -0.09 -0.61 0.09 0.00 0.03 0.00 0.00 46.19 45.61 3a2w s LEU 141 CO -0.02 0.11 0.04 -0.31 0.23 0.00 0.00 176.35 176.41 3a2w s TYR 142 N -0.04 2.70 0.13 0.29 1.51 -1.26 -0.22 117.35 120.47 3a2w s TYR 142 Ca 0.00 -2.26 0.01 0.00 -1.01 0.00 0.00 57.07 53.81 3a2w s TYR 142 Cb -0.07 -2.18 -0.04 0.00 -0.11 0.00 0.00 41.96 39.56 3a2w s TYR 142 CO 0.00 -0.88 0.28 0.71 -1.11 0.00 0.00 175.55 174.55 3a2w s TYR 143 N 1.27 3.50 0.92 2.71 1.51 -0.59 -4.98 117.35 121.69 3a2w s TYR 143 Ca 0.07 0.22 -0.15 0.00 -1.01 0.00 0.00 57.07 56.20 3a2w s TYR 143 Cb -0.18 -1.74 0.16 0.00 -0.11 0.00 0.00 41.96 40.08 3a2w s TYR 143 CO -0.14 0.51 1.26 -1.25 -1.11 0.00 0.00 175.55 174.83 3a2w s PRO 144 N -2.99 1.04 0.21 -1.71 0.04 -1.26 -1.20 135.00 129.12 3a2w s PRO 144 Ca 0.36 -0.20 -0.08 0.00 0.04 0.00 0.00 61.00 61.12 3a2w s PRO 144 Cb -0.12 -1.87 0.14 0.00 0.04 0.00 0.00 34.50 32.69 3a2w s PRO 144 CO 0.28 -2.18 1.73 0.52 0.04 0.00 0.00 177.00 177.39 3a2w h MET 145 N -1.47 1.13 -0.00 4.56 2.86 -1.95 -3.17 114.93 116.89 3a2w h MET 145 Ca -0.45 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 56.92 3a2w h MET 145 Cb 1.27 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.78 3a2w h MET 145 CO 0.48 0.99 -0.02 -0.85 1.06 0.00 0.00 176.91 178.57 3a2w n GLU 146 N -4.24 0.12 -4.73 1.72 0.00 -1.26 -4.81 120.64 107.44 3a2w n GLU 146 Ca 0.05 -0.00 -0.31 0.00 0.00 0.00 0.00 57.16 56.90 3a2w n GLU 146 Cb 0.25 -1.50 -0.17 0.00 0.00 0.00 0.00 31.44 30.03 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 -2.89 2.00 0.36 -1.84 2.96 -1.20 -5.09 118.68 112.98 3a2w s LEU 147 Ca 0.18 -0.54 -0.25 0.00 -0.22 0.00 0.00 54.13 53.30 3a2w s LEU 147 Cb 0.19 -1.33 -0.10 0.00 0.50 0.00 0.00 46.19 45.45 3a2w s LEU 147 CO 0.52 0.08 0.95 -0.83 -1.32 0.00 0.00 176.35 175.74 3a2w s GLY 148 N 0.75 2.68 0.89 7.98 0.00 -1.26 -4.48 107.32 113.88 3a2w s GLY 148 Ca -0.10 0.49 -0.12 0.00 0.00 0.00 0.00 44.72 44.99 3a2w s GLY 148 CO 0.01 0.88 1.10 0.50 0.00 0.00 0.00 173.10 175.59 3a2w s ARG 149 N -2.39 1.33 -0.71 2.90 0.52 -1.26 -5.00 118.95 114.34 3a2w s ARG 149 Ca 0.54 0.68 -0.06 0.00 -0.52 0.00 0.00 55.73 56.37 3a2w s ARG 149 Cb -0.16 -1.83 0.18 0.00 0.52 0.00 0.00 34.95 33.67 3a2w s ARG 149 CO 0.21 -2.15 0.56 -1.17 0.02 0.00 0.00 175.30 172.76 3a2w s LEU 150 N -6.13 5.65 0.37 2.53 2.96 -1.26 -4.98 118.68 117.83 3a2w s LEU 150 Ca 0.63 -2.92 0.17 0.00 -0.22 0.00 0.00 54.13 51.79 3a2w s LEU 150 Cb -0.17 -1.95 1.10 0.00 0.50 0.00 0.00 46.19 45.67 3a2w s LEU 150 CO 0.56 -0.40 1.72 0.58 -1.32 0.00 0.00 176.35 177.49 3a2w h VAL 151 N 5.00 0.42 -0.42 1.68 2.07 -1.95 -1.48 116.25 121.57 3a2w h VAL 151 Ca 0.04 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.46 3a2w h VAL 151 Cb 0.96 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 3a2w h VAL 151 CO 0.74 0.07 0.28 0.44 0.02 0.00 0.00 177.57 179.12 3a2w h ASP 152 N 0.38 0.37 0.38 0.57 3.32 -1.93 0.01 116.42 119.52 3a2w h ASP 152 Ca 0.67 -0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.61 3a2w h ASP 152 Cb 1.63 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 41.08 3a2w h ASP 152 CO -0.42 0.25 -0.47 -0.08 -1.72 0.00 0.00 179.24 176.80 3a2w h GLU 153 N 0.43 0.11 0.00 3.56 4.57 -1.62 -0.47 114.58 121.15 3a2w h GLU 153 Ca 0.18 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 58.23 3a2w h GLU 153 Cb 0.17 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 3a2w h GLU 153 CO -0.04 0.56 -0.34 0.82 -1.18 0.00 0.00 179.01 178.83 3a2w h ILE 154 N 0.09 1.09 -0.09 2.32 2.04 -1.06 -1.18 117.51 120.71 3a2w h ILE 154 Ca 0.00 -1.21 -0.15 0.00 1.00 0.00 0.00 64.86 64.51 3a2w h ILE 154 Cb 0.86 1.68 0.01 0.00 -0.74 0.00 0.00 36.82 38.63 3a2w h ILE 154 CO 0.07 0.33 -0.51 -0.07 0.00 0.00 0.00 178.15 177.97 3a2w h LEU 155 N 0.00 0.61 -0.91 1.44 3.38 -0.71 -2.99 115.31 116.13 3a2w h LEU 155 Ca -0.00 -0.65 0.01 0.00 0.09 0.00 0.00 57.88 57.33 3a2w h LEU 155 Cb 0.65 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 3a2w h LEU 155 CO 0.04 1.16 0.60 -0.09 0.09 0.00 0.00 178.44 180.25 3a2w h ARG 156 N 0.10 1.18 0.63 1.13 2.43 -0.81 -1.71 114.38 117.32 3a2w h ARG 156 Ca -0.04 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.03 3a2w h ARG 156 Cb 1.16 -0.27 -0.00 0.00 -0.42 0.00 0.00 29.97 30.44 3a2w h ARG 156 CO 0.11 0.78 -0.35 0.82 -1.51 0.00 0.00 179.97 179.82 3a2w h ILE 157 N 1.22 0.29 -0.03 1.20 2.04 -1.22 0.10 117.51 121.10 3a2w h ILE 157 Ca 0.34 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.15 3a2w h ILE 157 Cb -0.12 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.24 3a2w h ILE 157 CO -0.08 0.00 -0.22 1.62 0.00 0.00 0.00 178.15 179.47 3a2w h VAL 158 N -0.91 1.18 0.06 1.67 3.04 -1.47 -0.47 116.25 119.35 3a2w h VAL 158 Ca -0.08 -0.83 -0.00 0.00 -1.01 0.00 0.00 66.70 64.78 3a2w h VAL 158 Cb 0.72 1.40 0.00 0.00 -2.01 0.00 0.00 31.29 31.40 3a2w h VAL 158 CO 0.10 0.24 -0.03 0.50 -1.01 0.00 0.00 177.57 177.38 3a2w h LYS 159 N 0.05 -0.08 -0.45 4.17 1.63 -1.13 -2.15 116.57 118.61 3a2w h LYS 159 Ca 0.01 0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.79 3a2w h LYS 159 Cb 0.42 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.05 3a2w h LYS 159 CO 0.03 0.35 0.17 0.00 -3.45 0.00 0.00 179.45 176.56 3a2w h ALA 160 N 0.35 1.46 -0.33 5.00 0.00 -0.60 -2.01 119.26 123.14 3a2w h ALA 160 Ca -0.01 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 3a2w h ALA 160 Cb 0.47 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3a2w h ALA 160 CO 0.01 0.41 -0.17 -0.07 0.00 0.00 0.00 179.25 179.43 3a2w h LEU 161 N 0.64 0.73 -0.87 0.00 4.07 -1.08 -0.33 115.31 118.46 3a2w h LEU 161 Ca 0.16 -0.41 -0.04 0.00 0.08 0.00 0.00 57.88 57.66 3a2w h LEU 161 Cb 0.14 -0.20 -0.04 0.00 1.08 0.00 0.00 40.66 41.64 3a2w h LEU 161 CO -0.01 0.98 0.33 0.11 -1.08 0.00 0.00 178.44 178.77 3a2w h LYS 162 N 0.47 1.15 -0.06 1.13 1.57 -1.09 -0.80 116.57 118.95 3a2w h LYS 162 Ca 0.07 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 3a2w h LYS 162 Cb 0.71 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 3a2w h LYS 162 CO 0.05 0.92 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.73 3a2w h LEU 163 N 1.13 0.15 -1.19 2.94 3.38 -1.28 -1.59 115.31 118.85 3a2w h LEU 163 Ca 0.26 -0.46 0.11 0.00 0.09 0.00 0.00 57.88 57.88 3a2w h LEU 163 Cb 0.18 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 3a2w h LEU 163 CO -0.03 0.58 0.58 1.23 0.09 0.00 0.00 178.44 180.89 3a2w h GLY 164 N -0.28 1.32 0.71 0.83 0.00 -0.91 0.94 103.07 105.67 3a2w h GLY 164 Ca 0.01 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 3a2w h GLY 164 CO 0.01 0.17 -0.24 -0.55 0.00 0.00 0.00 176.54 175.94 3a2w h ASP 165 N 0.85 -0.56 -0.28 0.19 3.32 -1.05 -0.55 116.42 118.35 3a2w h ASP 165 Ca 0.43 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.34 3a2w h ASP 165 Cb 0.49 0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 3a2w h ASP 165 CO -0.20 -0.20 -0.05 0.77 -1.72 0.00 0.00 179.24 177.84 3a2w h SER 166 N -0.96 0.62 0.04 6.45 4.64 -0.89 -2.95 113.55 120.50 3a2w h SER 166 Ca -0.07 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 3a2w h SER 166 Cb 0.60 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3a2w h SER 166 CO 0.11 0.73 -0.12 0.18 -0.87 0.00 0.00 176.83 176.86 3a2w n LEU 167 N -4.22 1.79 -3.45 5.97 7.99 0.29 -4.98 117.00 120.39 3a2w n LEU 167 Ca 0.02 -0.59 -0.19 0.00 -0.01 0.00 0.00 56.01 55.23 3a2w n LEU 167 Cb 0.31 -0.03 0.06 0.00 -0.11 0.00 0.00 43.42 43.65 3a2w n LEU 167 CO 0.41 0.31 0.01 0.29 -1.51 0.00 0.00 177.39 176.90 3a2w n LYS 168 N 0.22 -3.70 -4.05 3.23 4.01 -0.53 -5.02 118.16 112.32 3a2w n LYS 168 Ca 0.15 0.75 -0.07 0.00 -0.51 0.00 0.00 58.31 58.63 3a2w n LYS 168 Cb 0.42 -5.44 -0.10 0.00 -0.51 0.00 0.00 35.03 29.40 3a2w n LYS 168 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 3a2w s ARG 169 N -5.20 0.59 -0.03 1.97 1.81 -0.33 -4.60 118.95 113.16 3a2w s ARG 169 Ca 0.26 -1.10 -0.05 0.00 -1.72 0.00 0.00 55.73 53.11 3a2w s ARG 169 Cb -0.05 0.21 -0.04 0.00 -0.45 0.00 0.00 34.95 34.61 3a2w s ARG 169 CO 0.77 -0.11 0.20 0.00 -0.68 0.00 0.00 175.30 175.48 3a2w s ALA 170 N -3.55 3.91 -0.22 2.13 0.00 0.61 -4.37 121.76 120.27 3a2w s ALA 170 Ca 0.03 -0.68 -0.14 0.00 0.00 0.00 0.00 51.96 51.17 3a2w s ALA 170 Cb 0.05 -1.95 -0.04 0.00 0.00 0.00 0.00 23.12 21.17 3a2w s ALA 170 CO -0.09 0.69 0.33 0.08 0.00 0.00 0.00 175.76 176.77 3a2w s VAL 171 N -1.26 5.24 0.80 0.00 1.01 -1.26 -0.98 120.40 123.95 3a2w s VAL 171 Ca 0.25 0.54 -0.11 0.00 0.00 0.00 0.00 61.98 62.66 3a2w s VAL 171 Cb -0.13 -3.66 0.07 0.00 0.00 0.00 0.00 36.38 32.66 3a2w s VAL 171 CO 0.15 0.27 1.09 -2.16 0.00 0.00 0.00 175.10 174.44 3a2w s PRO 172 N 1.34 2.07 0.31 2.72 0.04 -1.26 -4.96 135.00 135.25 3a2w s PRO 172 Ca 0.15 0.91 -0.29 0.00 0.04 0.00 0.00 61.00 61.80 3a2w s PRO 172 Cb -0.15 -1.90 -0.12 0.00 0.04 0.00 0.00 34.50 32.38 3a2w s PRO 172 CO 0.07 -1.70 1.42 0.00 0.04 0.00 0.00 177.00 176.84 3a2w n ALA 173 N -3.52 1.69 -1.19 8.56 0.00 -1.26 -2.39 120.51 122.39 3a2w n ALA 173 Ca 0.08 0.38 -0.07 0.00 0.00 0.00 0.00 53.44 53.83 3a2w n ALA 173 Cb 0.54 -2.33 -0.03 0.00 0.00 0.00 0.00 19.45 17.63 3a2w n ALA 173 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3a2w n ASP 174 N 1.45 -5.12 -4.63 0.00 8.00 -1.26 -4.01 116.55 110.98 3a2w n ASP 174 Ca 0.07 0.17 -0.40 0.00 0.71 0.00 0.00 54.79 55.34 3a2w n ASP 174 Cb 0.35 -3.21 0.02 0.00 -0.02 0.00 0.00 41.12 38.27 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 -2.37 1.29 0.39 1.24 -0.00 -1.01 -0.64 117.44 116.35 3a2w n TRP 175 Ca -0.07 0.50 0.01 0.00 -0.00 0.00 0.00 57.50 57.95 3a2w n TRP 175 Cb 0.44 -2.24 0.12 0.00 -0.00 0.00 0.00 31.31 29.64 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 -0.24 2.19 -2.09 5.87 -0.04 -1.26 -4.90 135.00 134.52 3a2w n PRO 176 Ca 0.10 -1.00 -0.28 0.00 -0.04 0.00 0.00 63.50 62.28 3a2w n PRO 176 Cb 0.42 -1.72 0.02 0.00 -0.04 0.00 0.00 33.50 32.18 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 0.18 5.42 -4.74 3.54 3.02 0.19 -2.97 115.26 119.90 3a2w n ASN 177 Ca 0.10 -3.75 -0.41 0.00 -0.03 0.00 0.00 54.58 50.48 3a2w n ASN 177 Cb 0.58 -0.52 -0.03 0.00 -0.61 0.00 0.00 39.78 39.20 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 -3.14 6.84 0.00 6.41 3.84 -0.36 -4.88 114.94 123.65 3a2w s ASN 178 Ca 0.52 2.45 0.13 0.00 0.21 0.00 0.00 52.86 56.17 3a2w s ASN 178 Cb 0.42 -2.61 0.67 0.00 -0.55 0.00 0.00 41.25 39.18 3a2w s ASN 178 CO -0.09 -0.58 1.30 -0.62 -2.79 0.00 0.00 177.10 174.32 3a2w n GLU 179 N 2.71 0.23 -0.06 0.43 1.02 -1.26 -0.85 120.64 122.85 3a2w n GLU 179 Ca 0.07 0.13 -0.14 0.00 -0.02 0.00 0.00 57.16 57.21 3a2w n GLU 179 Cb 0.42 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.30 3a2w n GLU 179 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3a2w n ILE 180 N -1.23 0.96 -1.34 -3.67 5.41 -1.26 -4.78 119.36 113.44 3a2w n ILE 180 Ca 0.07 -0.10 0.08 0.00 1.00 0.00 0.00 62.75 63.79 3a2w n ILE 180 Cb 0.09 -1.77 0.16 0.00 -0.71 0.00 0.00 39.64 37.41 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 -3.76 1.90 0.00 1.39 -5.35 -1.25 -5.06 119.36 107.23 3a2w n ILE 181 Ca -0.25 -2.53 0.00 0.00 -0.27 0.00 0.00 62.75 59.70 3a2w n ILE 181 Cb 0.61 -0.18 0.00 0.00 -1.74 0.00 0.00 39.64 38.33 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 -1.22 1.36 1.33 3.28 0.00 -0.03 0.12 105.19 110.03 3a2w n GLY 182 Ca 0.16 0.60 0.12 0.00 0.00 0.00 0.00 46.02 46.90 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 2.71 -2.00 1.61 0.28 -1.16 -1.22 120.64 120.87 3a2w n GLU 183 Ca 0.00 -2.63 -0.37 0.00 -0.16 0.00 0.00 57.16 54.00 3a2w n GLU 183 Cb 0.00 -1.56 0.02 0.00 1.43 0.00 0.00 31.44 31.33 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 -1.05 2.82 -0.01 -1.84 0.00 0.34 -4.89 107.32 102.69 3a2w s GLY 184 Ca 0.48 1.13 -0.00 0.00 0.00 0.00 0.00 44.72 46.33 3a2w s GLY 184 CO 0.33 1.61 0.04 1.08 0.00 0.00 0.00 173.10 176.16 3a2w s LEU 185 N -3.43 3.74 -0.03 0.66 1.43 0.62 -4.63 118.68 117.04 3a2w s LEU 185 Ca 0.70 0.10 -0.21 0.00 -1.03 0.00 0.00 54.13 53.68 3a2w s LEU 185 Cb -0.34 -2.12 -0.05 0.00 0.03 0.00 0.00 46.19 43.71 3a2w s LEU 185 CO 0.40 0.29 0.61 -0.63 0.23 0.00 0.00 176.35 177.25 3a2w s ILE 186 N -1.12 4.98 -0.06 -0.59 1.01 -0.15 -1.75 121.20 123.53 3a2w s ILE 186 Ca 0.20 1.27 -0.30 0.00 0.00 0.00 0.00 60.65 61.82 3a2w s ILE 186 Cb -0.12 -3.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.38 3a2w s ILE 186 CO 0.11 0.36 1.03 -0.69 0.00 0.00 0.00 174.94 175.75 3a2w s VAL 187 N 0.18 4.71 -0.12 2.92 1.01 0.17 -0.28 120.40 128.98 3a2w s VAL 187 Ca 0.32 1.96 -0.38 0.00 0.00 0.00 0.00 61.98 63.88 3a2w s VAL 187 Cb -0.18 -4.26 -0.16 0.00 0.00 0.00 0.00 36.38 31.79 3a2w s VAL 187 CO 0.17 0.06 1.61 -2.65 0.00 0.00 0.00 175.10 174.29 3a2w n PRO 188 N 4.60 1.27 -1.83 2.72 -0.02 -1.26 -4.59 135.00 135.90 3a2w n PRO 188 Ca 0.08 0.46 -0.39 0.00 -2.02 0.00 0.00 63.50 61.64 3a2w n PRO 188 Cb 0.49 -2.15 0.03 0.00 -0.02 0.00 0.00 33.50 31.85 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 2.45 3.42 0.43 0.52 0.04 -1.26 -4.98 135.00 135.62 3a2w s PRO 189 Ca 0.92 2.28 -0.26 0.00 0.04 0.00 0.00 61.00 63.98 3a2w s PRO 189 Cb -0.99 -2.44 -0.09 0.00 0.04 0.00 0.00 34.50 31.02 3a2w s PRO 189 CO 0.57 -0.98 1.46 -2.14 0.04 0.00 0.00 177.00 175.95 3a2w s PRO 190 N -2.69 3.79 -0.00 0.56 0.02 -1.26 -4.95 135.00 130.47 3a2w s PRO 190 Ca 0.66 2.49 0.15 0.00 0.02 0.00 0.00 61.00 64.32 3a2w s PRO 190 Cb -0.41 -2.74 -0.16 0.00 0.02 0.00 0.00 34.50 31.20 3a2w s PRO 190 CO 0.50 -0.76 0.61 0.25 -0.33 0.00 0.00 177.00 177.27 3a2w n THR 191 N -0.03 0.00 -4.28 0.99 -2.24 -1.26 -4.91 114.28 102.56 3a2w n THR 191 Ca 0.04 -0.16 -0.16 0.00 -2.27 0.00 0.00 64.05 61.50 3a2w n THR 191 Cb 0.41 0.95 -0.10 0.00 -2.10 0.00 0.00 70.33 69.49 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 -2.43 1.34 0.15 4.28 -4.23 -1.26 -5.06 115.64 108.43 3a2w s THR 192 Ca 0.05 -2.07 -0.16 0.00 -1.18 0.00 0.00 61.69 58.32 3a2w s THR 192 Cb 0.11 -1.87 0.01 0.00 1.34 0.00 0.00 72.50 72.09 3a2w s THR 192 CO 0.61 -0.68 1.81 -0.33 -0.54 0.00 0.00 174.62 175.49 3a2w h GLU 193 N 2.78 0.50 -0.61 3.99 5.08 -1.99 -0.97 114.58 123.35 3a2w h GLU 193 Ca -0.37 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 57.99 3a2w h GLU 193 Cb 1.20 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.30 3a2w h GLU 193 CO 0.62 0.33 0.37 -0.44 -1.00 0.00 0.00 179.01 178.89 3a2w h ASP 194 N 0.51 0.61 -0.25 1.42 5.19 -1.99 -0.01 116.42 121.90 3a2w h ASP 194 Ca 0.14 0.00 0.02 0.00 -0.62 0.00 0.00 57.03 56.58 3a2w h ASP 194 Cb -0.05 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.31 3a2w h ASP 194 CO -0.04 0.42 0.10 1.56 -3.12 0.00 0.00 179.24 178.17 3a2w h GLN 195 N 0.73 0.22 -0.19 3.56 4.20 -1.91 -0.25 115.11 121.47 3a2w h GLN 195 Ca 0.25 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.99 3a2w h GLN 195 Cb 0.03 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.71 3a2w h GLN 195 CO -0.11 0.14 -0.12 0.00 -0.67 0.00 0.00 178.83 178.08 3a2w h ALA 196 N 1.14 0.03 -0.74 3.87 0.00 -0.14 0.22 119.26 123.64 3a2w h ALA 196 Ca 0.11 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3a2w h ALA 196 Cb 0.06 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3a2w h ALA 196 CO -0.09 -0.55 0.39 -0.09 0.00 0.00 0.00 179.25 178.90 3a2w h ARG 197 N -0.12 1.05 -0.26 0.00 2.43 -0.79 -2.32 114.38 114.38 3a2w h ARG 197 Ca 0.11 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 3a2w h ARG 197 Cb 0.28 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3a2w h ARG 197 CO -0.26 0.80 0.08 0.00 -1.51 0.00 0.00 179.97 179.08 3a2w h ALA 198 N 1.20 0.33 -0.93 2.80 0.00 -0.38 -1.64 119.26 120.65 3a2w h ALA 198 Ca 0.26 -0.15 0.16 0.00 0.00 0.00 0.00 54.91 55.18 3a2w h ALA 198 Cb 0.07 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 17.66 3a2w h ALA 198 CO -0.04 -0.03 0.53 -0.09 0.00 0.00 0.00 179.25 179.62 3a2w h ARG 199 N 0.25 0.71 -0.10 0.00 9.65 -0.37 -1.05 114.38 123.47 3a2w h ARG 199 Ca 0.08 -0.04 -0.21 0.00 -1.10 0.00 0.00 59.98 58.70 3a2w h ARG 199 Cb 0.24 -0.16 0.01 0.00 -1.39 0.00 0.00 29.97 28.67 3a2w h ARG 199 CO -0.00 0.47 -0.80 0.52 2.80 0.00 0.00 179.97 182.96 3a2w h MET 200 N 0.73 0.62 0.00 0.20 2.86 -1.12 -3.29 114.93 114.94 3a2w h MET 200 Ca 0.51 -0.53 -0.12 0.00 -2.06 0.00 0.00 59.70 57.49 3a2w h MET 200 Cb 0.71 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.47 3a2w h MET 200 CO -0.35 1.15 -0.57 0.93 1.06 0.00 0.00 176.91 179.13 3a2w h GLU 201 N 0.41 0.00 -0.56 1.72 5.08 -0.53 -3.22 114.58 117.49 3a2w h GLU 201 Ca -0.06 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 3a2w h GLU 201 Cb 1.42 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.64 3a2w h GLU 201 CO 0.15 0.57 0.13 0.66 -1.00 0.00 0.00 179.01 179.52 3a2w h SER 202 N 0.00 0.80 -1.32 1.42 4.64 -1.28 -3.46 113.55 114.34 3a2w h SER 202 Ca -0.01 -0.15 -0.38 0.00 -0.47 0.00 0.00 61.79 60.79 3a2w h SER 202 Cb 1.09 -0.21 -0.12 0.00 -0.31 0.00 0.00 62.40 62.85 3a2w h SER 202 CO 0.07 0.79 -0.38 0.61 -0.87 0.00 0.00 176.83 177.06 3a2w n GLY 203 N -0.83 1.28 0.54 -0.77 0.00 -1.22 -4.87 105.19 99.32 3a2w n GLY 203 Ca 0.04 -0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.54 1.70 -3.79 1.61 10.64 -1.26 -4.88 117.38 118.85 3a2w n GLN 204 Ca -0.20 -1.06 -0.10 0.00 -1.83 0.00 0.00 57.00 53.81 3a2w n GLN 204 Cb 0.63 -1.33 -0.07 0.00 -0.86 0.00 0.00 30.24 28.60 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 -1.71 0.00 0.19 2.61 1.51 -1.26 -5.05 117.35 113.64 3a2w s TYR 205 Ca 0.28 -0.26 -0.30 0.00 -1.01 0.00 0.00 57.07 55.78 3a2w s TYR 205 Cb 0.15 0.04 -0.08 0.00 -0.11 0.00 0.00 41.96 41.95 3a2w s TYR 205 CO 0.21 -0.52 0.98 1.03 -1.11 0.00 0.00 175.55 176.14 3a2w s ARG 206 N -3.07 4.76 -0.01 -0.62 0.52 -1.09 -4.90 118.95 114.55 3a2w s ARG 206 Ca -0.01 1.52 -0.03 0.00 -0.52 0.00 0.00 55.73 56.69 3a2w s ARG 206 Cb 0.01 -3.31 -0.00 0.00 0.52 0.00 0.00 34.95 32.17 3a2w s ARG 206 CO -0.07 0.34 0.07 0.00 0.02 0.00 0.00 175.30 175.67 3a2w n LEU 208 N 2.27 0.46 -3.78 0.00 7.99 0.30 -4.99 117.00 119.25 3a2w n LEU 208 Ca -0.18 0.21 -0.04 0.00 -0.01 0.00 0.00 56.01 55.99 3a2w n LEU 208 Cb 0.57 0.23 -0.01 0.00 -0.11 0.00 0.00 43.42 44.10 3a2w n LEU 208 CO 0.22 0.30 0.72 -0.62 -1.51 0.00 0.00 177.39 176.49 3a2w s ASP 209 N -5.58 -0.15 0.61 -1.43 -1.08 -1.22 -4.98 116.67 102.84 3a2w s ASP 209 Ca -0.06 -0.47 0.33 0.00 -0.52 0.00 0.00 52.55 51.83 3a2w s ASP 209 Cb 0.08 0.51 1.93 0.00 -1.46 0.00 0.00 42.92 43.98 3a2w s ASP 209 CO 0.83 -0.95 2.26 4.11 0.52 0.00 0.00 175.17 181.95 3a2w h TRP 210 N 2.00 0.00 -0.04 -5.34 5.08 -1.94 -0.47 115.95 115.24 3a2w h TRP 210 Ca -0.25 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.72 3a2w h TRP 210 Cb 1.23 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.39 3a2w h TRP 210 CO 0.53 0.00 0.00 -2.67 -1.28 0.00 0.00 178.44 175.02 3a2w n TRP 211 N -3.69 0.02 -3.60 0.12 4.27 -1.26 -4.42 117.44 108.89 3a2w n TRP 211 Ca -0.03 -0.01 -0.29 0.00 -3.89 0.00 0.00 57.50 53.28 3a2w n TRP 211 Cb 0.10 0.00 -0.12 0.00 -1.36 0.00 0.00 31.31 29.93 3a2w n TRP 211 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 3a2w s PHE 212 N -1.98 1.62 0.09 -2.67 5.99 -0.18 -4.64 117.98 116.21 3a2w s PHE 212 Ca 0.31 -2.29 0.08 0.00 0.00 0.00 0.00 56.93 55.03 3a2w s PHE 212 Cb 0.20 -1.50 -0.03 0.00 0.00 0.00 0.00 43.02 41.69 3a2w s PHE 212 CO 0.31 -0.78 -0.20 0.00 -0.00 0.00 0.00 175.22 174.55 3a2w s TRP 214 N -1.09 0.04 0.37 0.00 1.48 -0.45 -0.66 118.94 118.64 3a2w s TRP 214 Ca 0.06 -0.41 -0.09 0.00 -1.06 0.00 0.00 56.10 54.60 3a2w s TRP 214 Cb -0.10 0.36 0.03 0.00 -1.16 0.00 0.00 33.47 32.60 3a2w s TRP 214 CO 0.04 -0.98 0.65 0.16 -4.06 0.00 0.00 176.95 172.76 3a2w s ASP 215 N -2.93 0.47 -0.71 -2.66 3.84 -0.72 -2.66 116.67 111.31 3a2w s ASP 215 Ca 0.14 -1.33 0.05 0.00 -0.00 0.00 0.00 52.55 51.41 3a2w s ASP 215 Cb -0.01 0.77 0.20 0.00 -1.38 0.00 0.00 42.92 42.50 3a2w s ASP 215 CO 0.02 -1.52 0.61 0.35 -0.00 0.00 0.00 175.17 174.63 3a2w n THR 216 N -0.56 2.03 0.70 2.11 -2.24 -1.26 -0.28 114.28 114.78 3a2w n THR 216 Ca -0.04 -5.02 0.12 0.00 -2.27 0.00 0.00 64.05 56.84 3a2w n THR 216 Cb 0.61 -2.17 0.23 0.00 -2.10 0.00 0.00 70.33 66.89 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 1.61 0.21 -2.46 -0.78 -0.04 -1.26 -4.93 135.00 127.35 3a2w n PRO 217 Ca 0.23 0.07 -0.37 0.00 -0.04 0.00 0.00 63.50 63.39 3a2w n PRO 217 Cb 0.37 -1.64 -0.03 0.00 -0.04 0.00 0.00 33.50 32.16 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 -3.12 3.13 0.68 0.55 0.00 -1.26 -5.01 121.76 116.73 3a2w s ALA 218 Ca 0.08 0.80 -0.13 0.00 0.00 0.00 0.00 51.96 52.71 3a2w s ALA 218 Cb 0.15 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.96 3a2w s ALA 218 CO 0.70 -0.31 1.07 -1.54 0.00 0.00 0.00 175.76 175.69 3a2w s SER 219 N -1.36 5.24 0.35 0.00 1.04 -1.26 -4.86 113.70 112.85 3a2w s SER 219 Ca 0.56 1.78 0.04 0.00 0.48 0.00 0.00 55.95 58.81 3a2w s SER 219 Cb -0.26 -2.52 0.68 0.00 0.10 0.00 0.00 66.02 64.02 3a2w s SER 219 CO 0.32 -1.54 1.98 -0.09 0.98 0.00 0.00 173.24 174.89 3a2w h ARG 220 N -0.37 0.80 -0.28 4.02 2.43 -1.99 -1.43 114.38 117.56 3a2w h ARG 220 Ca -0.45 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 58.66 3a2w h ARG 220 Cb 1.22 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.58 3a2w h ARG 220 CO 0.55 0.53 0.11 -0.44 -1.51 0.00 0.00 179.97 179.21 3a2w h ASP 221 N 0.82 0.38 -0.63 -3.80 3.32 -1.99 -0.22 116.42 114.31 3a2w h ASP 221 Ca 0.28 -0.16 0.05 0.00 0.02 0.00 0.00 57.03 57.22 3a2w h ASP 221 Cb 0.10 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 3a2w h ASP 221 CO -0.08 0.44 0.35 0.44 -1.72 0.00 0.00 179.24 178.67 3a2w h ASP 222 N 0.30 0.52 0.02 6.45 3.32 -1.70 -1.08 116.42 124.25 3a2w h ASP 222 Ca 0.09 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 3a2w h ASP 222 Cb 0.18 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3a2w h ASP 222 CO -0.01 0.34 -0.01 0.58 -1.72 0.00 0.00 179.24 178.42 3a2w h VAL 223 N 0.65 1.17 -0.35 -1.35 2.07 -0.92 -2.81 116.25 114.71 3a2w h VAL 223 Ca 0.28 -0.61 -0.09 0.00 0.82 0.00 0.00 66.70 67.10 3a2w h VAL 223 Cb 0.16 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 3a2w h VAL 223 CO -0.17 0.16 -0.16 -0.33 0.02 0.00 0.00 177.57 177.09 3a2w h GLU 224 N -0.30 0.64 -0.05 1.57 5.08 -0.93 -1.99 114.58 118.61 3a2w h GLU 224 Ca -0.00 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 3a2w h GLU 224 Cb 0.28 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 3a2w h GLU 224 CO 0.01 0.77 0.03 1.49 -1.00 0.00 0.00 179.01 180.30 3a2w h GLU 225 N 0.57 0.06 -0.35 2.33 4.81 -1.23 0.21 114.58 120.99 3a2w h GLU 225 Ca 0.10 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 3a2w h GLU 225 Cb 0.60 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 3a2w h GLU 225 CO 0.04 0.09 -0.00 0.00 -0.73 0.00 0.00 179.01 178.40 3a2w h ALA 226 N 0.97 1.35 0.00 2.92 0.00 -1.39 -1.41 119.26 121.70 3a2w h ALA 226 Ca 0.02 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 3a2w h ALA 226 Cb 0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3a2w h ALA 226 CO -0.00 0.45 -0.50 -0.09 0.00 0.00 0.00 179.25 179.11 3a2w h ARG 227 N 0.51 0.00 -0.66 0.00 2.43 -0.95 -3.06 114.38 112.65 3a2w h ARG 227 Ca 0.11 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.20 3a2w h ARG 227 Cb 0.34 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 3a2w h ARG 227 CO 0.01 0.50 0.11 -0.09 -1.51 0.00 0.00 179.97 178.99 3a2w h ARG 228 N 0.00 1.10 -0.28 0.20 2.43 0.50 0.90 114.38 119.23 3a2w h ARG 228 Ca -0.00 -0.29 0.05 0.00 -0.81 0.00 0.00 59.98 58.92 3a2w h ARG 228 Cb 1.04 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 30.42 3a2w h ARG 228 CO 0.06 1.01 -0.04 1.88 -1.51 0.00 0.00 179.97 181.37 3a2w h TYR 229 N 1.02 -0.10 -0.59 2.20 0.99 -1.35 0.24 116.97 119.38 3a2w h TYR 229 Ca 0.20 0.02 -0.10 0.00 2.00 0.00 0.00 58.73 60.85 3a2w h TYR 229 Cb 0.44 0.09 -0.02 0.00 1.00 0.00 0.00 36.73 38.23 3a2w h TYR 229 CO 0.03 -0.09 -0.04 -0.07 -0.00 0.00 0.00 178.16 178.00 3a2w h LEU 230 N 0.03 1.06 -0.73 3.88 3.38 -1.51 -1.68 115.31 119.74 3a2w h LEU 230 Ca 0.13 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.81 3a2w h LEU 230 Cb 0.19 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 3a2w h LEU 230 CO -0.26 1.12 0.46 -0.09 0.09 0.00 0.00 178.44 179.76 3a2w h ARG 231 N 0.96 0.89 -0.53 1.13 2.43 -0.09 -1.53 114.38 117.63 3a2w h ARG 231 Ca 0.16 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 3a2w h ARG 231 Cb 0.60 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 3a2w h ARG 231 CO 0.04 0.59 0.28 -0.09 -1.51 0.00 0.00 179.97 179.27 3a2w h ARG 232 N 0.91 0.75 0.00 0.20 2.43 -0.21 -1.87 114.38 116.60 3a2w h ARG 232 Ca 0.28 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 3a2w h ARG 232 Cb -0.01 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.39 3a2w h ARG 232 CO -0.10 0.60 -0.16 0.00 -1.51 0.00 0.00 179.97 178.81 3a2w h ALA 233 N 1.11 1.54 0.00 2.80 0.00 -0.74 -2.60 119.26 121.37 3a2w h ALA 233 Ca 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3a2w h ALA 233 Cb 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3a2w h ALA 233 CO -0.03 0.20 -0.53 0.00 0.00 0.00 0.00 179.25 178.89 3a2w n ALA 234 N -2.42 2.88 -2.69 0.00 0.00 -0.63 -4.89 120.51 112.77 3a2w n ALA 234 Ca -0.02 -0.23 -0.42 0.00 0.00 0.00 0.00 53.44 52.78 3a2w n ALA 234 Cb 0.24 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 3a2w n ALA 234 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3a2w s GLU 235 N -3.14 4.54 0.14 0.00 2.02 -0.75 -5.02 118.70 116.48 3a2w s GLU 235 Ca 0.07 1.32 -0.30 0.00 0.02 0.00 0.00 54.97 56.08 3a2w s GLU 235 Cb 0.14 -3.45 -0.07 0.00 0.10 0.00 0.00 34.13 30.85 3a2w s GLU 235 CO 0.70 -0.01 1.03 -1.59 0.02 0.00 0.00 175.26 175.41 3a2w s LYS 236 N 0.91 4.65 0.29 1.61 -2.85 -1.26 -4.95 119.74 118.14 3a2w s LYS 236 Ca 0.49 1.58 -0.27 0.00 -1.00 0.00 0.00 55.97 56.76 3a2w s LYS 236 Cb -0.20 -3.33 -0.14 0.00 -2.06 0.00 0.00 37.83 32.09 3a2w s LYS 236 CO 0.26 0.15 0.91 -2.30 0.10 0.00 0.00 175.35 174.47 3a2w n PRO 237 N 2.58 1.10 0.10 1.78 -0.02 -1.26 -4.91 135.00 134.38 3a2w n PRO 237 Ca 0.02 0.39 -0.15 0.00 -2.02 0.00 0.00 63.50 61.75 3a2w n PRO 237 Cb 0.48 -1.71 -0.14 0.00 -0.02 0.00 0.00 33.50 32.11 3a2w n PRO 237 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a2w h ALA 238 N 1.75 0.14 -2.87 3.55 0.00 -2.04 -3.43 119.26 116.35 3a2w h ALA 238 Ca -0.38 -0.90 -0.42 0.00 0.00 0.00 0.00 54.91 53.21 3a2w h ALA 238 Cb 1.36 -0.00 -0.39 0.00 0.00 0.00 0.00 17.79 18.75 3a2w h ALA 238 CO 0.59 1.02 -0.72 0.21 0.00 0.00 0.00 179.25 180.35 3a2w s LYS 239 N -2.66 0.11 0.01 0.00 2.20 -1.26 -5.12 119.74 113.01 3a2w s LYS 239 Ca -0.04 -0.04 -0.30 0.00 -0.36 0.00 0.00 55.97 55.24 3a2w s LYS 239 Cb 0.07 -1.59 -0.07 0.00 -1.51 0.00 0.00 37.83 34.73 3a2w s LYS 239 CO 0.87 -0.70 1.61 -0.51 -0.36 0.00 0.00 175.35 176.26 3a2w s LEU 240 N 2.19 4.34 0.63 5.43 1.43 -1.26 -4.88 118.68 126.56 3a2w s LEU 240 Ca 0.04 2.32 0.31 0.00 -1.03 0.00 0.00 54.13 55.77 3a2w s LEU 240 Cb -0.16 -3.55 1.69 0.00 0.03 0.00 0.00 46.19 44.20 3a2w s LEU 240 CO -0.12 -0.87 2.00 -0.07 0.23 0.00 0.00 176.35 177.52 3a2w h LEU 241 N 9.17 0.00 -1.22 1.79 3.38 -1.99 -0.25 115.31 126.20 3a2w h LEU 241 Ca -0.40 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.51 3a2w h LEU 241 Cb 1.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 3a2w h LEU 241 CO 0.93 0.00 -0.09 0.22 0.09 0.00 0.00 178.44 179.60 3a2w h TYR 242 N 0.00 0.45 0.00 1.13 3.20 -1.94 -3.04 116.97 116.77 3a2w h TYR 242 Ca 0.07 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3a2w h TYR 242 Cb 0.67 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.81 3a2w h TYR 242 CO 0.00 0.52 0.00 0.39 -1.64 0.00 0.00 178.16 177.43 3a2w n GLU 243 N -4.25 0.00 -0.18 1.82 1.02 -0.10 -1.99 120.64 116.97 3a2w n GLU 243 Ca 0.00 0.34 0.00 0.00 -0.02 0.00 0.00 57.16 57.48 3a2w n GLU 243 Cb 0.28 -1.10 0.00 0.00 -0.02 0.00 0.00 31.44 30.60 3a2w n GLU 243 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 3a2w n GLU 244 N -1.10 0.97 0.00 3.49 0.00 -1.25 -5.16 120.64 117.60 3a2w n GLU 244 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 57.16 57.29 3a2w n GLU 244 Cb 0.00 -1.01 0.24 0.00 0.00 0.00 0.00 31.44 30.67 3a2w n GLU 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13