#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 0.93 -0.11 -1.23 0.00 -1.26 -5.09 107.32 100.55 3a2w s GLY 3 Ca 0.00 -1.18 -0.03 0.00 0.00 0.00 0.00 44.72 43.51 3a2w s GLY 3 CO 0.00 -0.85 0.01 -1.35 0.00 0.00 0.00 173.10 170.91 3a2w s SER 4 N -3.10 5.28 0.17 1.64 1.04 -1.26 -5.11 113.70 112.36 3a2w s SER 4 Ca 0.27 0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.82 3a2w s SER 4 Cb 0.01 -1.62 -0.05 0.00 0.10 0.00 0.00 66.02 64.46 3a2w s SER 4 CO 0.12 0.32 0.03 0.27 0.98 0.00 0.00 173.24 174.96 3a2w s ILE 5 N -0.52 0.53 0.92 -1.02 -5.25 -1.26 -3.65 121.20 110.96 3a2w s ILE 5 Ca 0.09 -1.97 -0.12 0.00 -0.99 0.00 0.00 60.65 57.66 3a2w s ILE 5 Cb -0.12 -2.17 0.14 0.00 2.95 0.00 0.00 42.46 43.26 3a2w s ILE 5 CO 0.02 -0.41 1.11 -2.84 -1.79 0.00 0.00 174.94 171.03 3a2w s PRO 6 N -3.96 1.07 0.13 0.37 0.02 -1.26 -5.01 135.00 126.35 3a2w s PRO 6 Ca 0.26 0.49 0.09 0.00 0.02 0.00 0.00 61.00 61.85 3a2w s PRO 6 Cb 0.07 -1.81 -0.04 0.00 0.02 0.00 0.00 34.50 32.73 3a2w s PRO 6 CO 0.05 -2.29 -0.21 -0.51 -0.33 0.00 0.00 177.00 173.71 3a2w s LEU 7 N -6.16 2.34 0.32 -5.54 1.43 -1.26 -5.08 118.68 104.74 3a2w s LEU 7 Ca 0.64 -0.75 -0.29 0.00 -1.03 0.00 0.00 54.13 52.69 3a2w s LEU 7 Cb -0.16 -0.93 -0.11 0.00 0.03 0.00 0.00 46.19 45.01 3a2w s LEU 7 CO 0.55 0.06 1.57 -0.63 0.23 0.00 0.00 176.35 178.12 3a2w s ILE 8 N -1.40 2.04 0.00 -0.59 1.01 -1.26 -1.35 121.20 119.66 3a2w s ILE 8 Ca 0.11 0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.79 3a2w s ILE 8 Cb -0.09 -3.02 0.00 0.00 0.01 0.00 0.00 42.46 39.36 3a2w s ILE 8 CO 0.05 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.61 3a2w n GLY 9 N 1.63 3.24 3.83 6.18 0.00 0.50 -5.00 105.19 115.57 3a2w n GLY 9 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.49 4.16 0.34 1.61 2.02 -0.45 -4.72 118.70 121.16 3a2w s GLU 10 Ca 0.00 1.00 -0.27 0.00 0.02 0.00 0.00 54.97 55.72 3a2w s GLU 10 Cb 0.00 -2.24 -0.09 0.00 0.10 0.00 0.00 34.13 31.90 3a2w s GLU 10 CO 0.00 -0.00 1.09 0.50 0.02 0.00 0.00 175.26 176.86 3a2w s ARG 11 N -3.20 4.38 0.30 1.61 3.52 -1.26 -0.05 118.95 124.26 3a2w s ARG 11 Ca 0.60 1.69 -0.29 0.00 -0.13 0.00 0.00 55.73 57.60 3a2w s ARG 11 Cb -0.09 -2.87 -0.13 0.00 -1.56 0.00 0.00 34.95 30.29 3a2w s ARG 11 CO 0.15 0.01 1.20 0.34 -0.81 0.00 0.00 175.30 176.19 3a2w n PHE 12 N 0.55 1.84 -1.87 5.12 7.35 0.52 -4.80 117.46 126.17 3a2w n PHE 12 Ca 0.02 0.60 -0.42 0.00 -0.76 0.00 0.00 57.45 56.89 3a2w n PHE 12 Cb 0.47 -2.35 -0.03 0.00 0.35 0.00 0.00 39.48 37.92 3a2w n PHE 12 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 3a2w s PRO 13 N -1.48 4.17 0.35 -7.13 0.02 -1.26 -4.61 135.00 125.06 3a2w s PRO 13 Ca 0.59 2.39 -0.28 0.00 0.02 0.00 0.00 61.00 63.72 3a2w s PRO 13 Cb -0.64 -3.80 -0.11 0.00 0.02 0.00 0.00 34.50 29.97 3a2w s PRO 13 CO 0.59 -0.82 1.47 0.39 -0.33 0.00 0.00 177.00 178.31 3a2w n GLU 14 N 6.33 2.57 -3.57 5.54 1.02 -1.25 -4.58 120.64 126.70 3a2w n GLU 14 Ca 0.17 0.90 -0.09 0.00 -0.02 0.00 0.00 57.16 58.13 3a2w n GLU 14 Cb 0.41 -2.61 -0.04 0.00 -0.02 0.00 0.00 31.44 29.17 3a2w n GLU 14 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3a2w s MET 15 N -1.71 0.56 -0.21 3.49 0.23 -0.48 -4.98 119.30 116.20 3a2w s MET 15 Ca 0.56 0.02 -0.06 0.00 -1.03 0.00 0.00 55.69 55.17 3a2w s MET 15 Cb -0.50 0.26 -0.03 0.00 -1.53 0.00 0.00 34.83 33.03 3a2w s MET 15 CO 0.60 -0.20 0.04 -2.00 -2.03 0.00 0.00 175.02 171.43 3a2w s GLU 16 N -1.65 3.72 0.11 3.16 2.12 -1.26 0.48 118.70 125.37 3a2w s GLU 16 Ca 0.02 -0.46 0.08 0.00 0.36 0.00 0.00 54.97 54.97 3a2w s GLU 16 Cb -0.01 -3.19 -0.04 0.00 0.26 0.00 0.00 34.13 31.16 3a2w s GLU 16 CO -0.02 0.02 -0.21 0.14 -0.54 0.00 0.00 175.26 174.65 3a2w s VAL 17 N 1.04 1.71 -0.23 3.70 -7.23 0.12 -4.97 120.40 114.54 3a2w s VAL 17 Ca 0.03 -1.58 -0.12 0.00 -1.81 0.00 0.00 61.98 58.50 3a2w s VAL 17 Cb -0.14 -1.58 -0.05 0.00 0.56 0.00 0.00 36.38 35.17 3a2w s VAL 17 CO 0.02 -0.09 0.23 -0.89 -0.31 0.00 0.00 175.10 174.07 3a2w s THR 18 N -1.25 5.31 0.34 5.32 2.01 -1.26 -1.07 115.64 125.03 3a2w s THR 18 Ca 0.07 0.33 0.04 0.00 0.31 0.00 0.00 61.69 62.43 3a2w s THR 18 Cb -0.10 -3.57 -0.06 0.00 0.01 0.00 0.00 72.50 68.79 3a2w s THR 18 CO 0.04 0.31 0.07 0.42 -0.69 0.00 0.00 174.62 174.77 3a2w s THR 19 N 1.19 1.07 -1.97 -0.82 -4.23 -0.58 -0.29 115.64 110.01 3a2w s THR 19 Ca 0.11 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.80 3a2w s THR 19 Cb -0.14 -2.71 0.52 0.00 1.34 0.00 0.00 72.50 71.51 3a2w s THR 19 CO 0.06 0.00 1.50 -0.90 -0.54 0.00 0.00 174.62 174.74 3a2w n ASP 20 N -0.78 0.00 -0.50 3.99 5.68 -0.87 -1.52 116.55 122.53 3a2w n ASP 20 Ca -0.03 -0.55 0.06 0.00 -0.50 0.00 0.00 54.79 53.77 3a2w n ASP 20 Cb 0.66 -0.01 0.07 0.00 -1.14 0.00 0.00 41.12 40.70 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 -1.01 0.09 0.00 2.11 8.25 -1.26 -5.00 115.22 118.40 3a2w n HIS 21 Ca 0.14 -0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 3a2w n HIS 21 Cb 0.07 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.17 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 0.64 0.77 3.77 -1.41 0.00 -0.58 -5.03 105.19 103.35 3a2w n GLY 22 Ca 0.08 -2.30 -0.39 0.00 0.00 0.00 0.00 46.02 43.42 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 -0.83 4.88 0.02 1.61 1.01 -1.26 -1.52 120.40 124.30 3a2w s VAL 23 Ca 0.00 1.23 -0.06 0.00 0.00 0.00 0.00 61.98 63.16 3a2w s VAL 23 Cb 0.00 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 3a2w s VAL 23 CO 0.00 0.44 0.10 0.27 0.00 0.00 0.00 175.10 175.91 3a2w s ILE 24 N -0.36 0.11 -0.10 2.22 -4.36 -0.23 -4.99 121.20 113.49 3a2w s ILE 24 Ca 0.31 -0.93 -0.08 0.00 -0.26 0.00 0.00 60.65 59.69 3a2w s ILE 24 Cb -0.18 -0.66 -0.04 0.00 1.25 0.00 0.00 42.46 42.82 3a2w s ILE 24 CO 0.17 -0.51 0.18 -0.75 0.24 0.00 0.00 174.94 174.27 3a2w s LYS 25 N -2.05 3.51 -0.03 0.37 2.20 -1.26 0.14 119.74 122.62 3a2w s LYS 25 Ca -0.10 -0.06 0.06 0.00 -0.36 0.00 0.00 55.97 55.51 3a2w s LYS 25 Cb -0.04 -3.20 -0.02 0.00 -1.51 0.00 0.00 37.83 33.06 3a2w s LYS 25 CO -0.02 0.77 -0.19 -0.51 -0.36 0.00 0.00 175.35 175.04 3a2w s LEU 26 N -1.03 2.47 0.00 5.43 1.43 0.18 -1.27 118.68 125.89 3a2w s LEU 26 Ca 0.16 -0.32 0.26 0.00 -1.03 0.00 0.00 54.13 53.20 3a2w s LEU 26 Cb -0.13 -1.47 0.81 0.00 0.03 0.00 0.00 46.19 45.44 3a2w s LEU 26 CO 0.05 0.33 1.61 -0.81 0.23 0.00 0.00 176.35 177.76 3a2w n PRO 27 N 2.29 1.84 -0.30 1.29 -0.04 -1.26 -1.38 135.00 137.44 3a2w n PRO 27 Ca -0.17 -1.23 0.13 0.00 -0.04 0.00 0.00 63.50 62.19 3a2w n PRO 27 Cb 0.52 -1.47 0.29 0.00 -0.04 0.00 0.00 33.50 32.80 3a2w n PRO 27 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3a2w h ASP 28 N 2.89 0.13 -0.88 3.54 5.19 -1.94 0.37 116.42 125.73 3a2w h ASP 28 Ca 0.00 0.18 0.18 0.00 -0.62 0.00 0.00 57.03 56.77 3a2w h ASP 28 Cb 0.62 0.21 -0.11 0.00 0.18 0.00 0.00 39.33 40.23 3a2w h ASP 28 CO 0.00 -0.09 0.43 -0.74 -3.12 0.00 0.00 179.24 175.72 3a2w h HIS 29 N 0.28 0.74 0.08 4.55 2.76 -1.55 0.14 115.15 122.15 3a2w h HIS 29 Ca 0.55 0.04 -0.35 0.00 -2.20 0.00 0.00 60.37 58.41 3a2w h HIS 29 Cb 1.08 -0.19 -0.03 0.00 1.55 0.00 0.00 27.41 29.81 3a2w h HIS 29 CO -0.21 0.08 -1.95 0.66 -1.30 0.00 0.00 177.93 175.21 3a2w n TYR 30 N -4.94 1.09 -0.23 5.26 4.02 -0.43 -3.87 117.16 118.06 3a2w n TYR 30 Ca 0.20 0.27 -0.03 0.00 -0.01 0.00 0.00 57.90 58.33 3a2w n TYR 30 Cb 0.54 -1.16 0.09 0.00 -0.02 0.00 0.00 39.34 38.79 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 0.05 1.01 -0.00 -0.72 2.07 -0.68 -0.48 116.25 117.50 3a2w h VAL 31 Ca -0.40 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.88 3a2w h VAL 31 Cb 2.03 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 32.02 3a2w h VAL 31 CO 0.08 0.13 0.02 0.28 0.02 0.00 0.00 177.57 178.10 3a2w h SER 32 N 0.72 0.00 -0.19 0.57 0.02 -0.88 0.13 113.55 113.92 3a2w h SER 32 Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 3a2w h SER 32 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 3a2w h SER 32 CO -0.15 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.54 3a2w n GLN 33 N -3.12 2.41 -3.31 3.45 6.02 -0.25 -4.94 117.38 117.64 3a2w n GLN 33 Ca -0.03 -2.09 -0.21 0.00 -0.01 0.00 0.00 57.00 54.66 3a2w n GLN 33 Cb 0.09 -1.49 0.06 0.00 1.02 0.00 0.00 30.24 29.92 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 1.42 -0.42 3.31 1.08 0.00 0.45 -5.00 105.19 106.04 3a2w n GLY 34 Ca 0.16 0.13 -0.25 0.00 0.00 0.00 0.00 46.02 46.07 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 -5.99 1.21 0.43 1.61 1.02 -0.81 -4.93 119.74 112.27 3a2w s LYS 35 Ca 0.45 -1.18 -0.07 0.00 0.02 0.00 0.00 55.97 55.19 3a2w s LYS 35 Cb -0.20 -1.51 -0.05 0.00 -0.52 0.00 0.00 37.83 35.55 3a2w s LYS 35 CO 0.55 0.36 0.74 -1.58 -0.92 0.00 0.00 175.35 174.50 3a2w s TRP 36 N -1.11 3.52 -0.01 3.18 0.52 -0.77 -4.13 118.94 120.14 3a2w s TRP 36 Ca 0.08 0.85 -0.01 0.00 0.02 0.00 0.00 56.10 57.04 3a2w s TRP 36 Cb -0.10 -2.31 -0.00 0.00 -1.15 0.00 0.00 33.47 29.91 3a2w s TRP 36 CO 0.04 -0.15 0.03 -0.59 0.02 0.00 0.00 176.95 176.30 3a2w s PHE 37 N -2.53 0.02 -0.26 -1.98 -0.12 -0.36 -0.05 117.98 112.70 3a2w s PHE 37 Ca 0.48 -0.02 -0.08 0.00 -0.05 0.00 0.00 56.93 57.26 3a2w s PHE 37 Cb -0.10 -0.03 -0.02 0.00 -0.63 0.00 0.00 43.02 42.24 3a2w s PHE 37 CO 0.38 -0.07 0.08 0.08 -0.05 0.00 0.00 175.22 175.65 3a2w s VAL 38 N -0.33 4.34 -0.28 -2.49 1.01 0.84 -1.38 120.40 122.10 3a2w s VAL 38 Ca -0.04 -0.24 -0.09 0.00 0.00 0.00 0.00 61.98 61.60 3a2w s VAL 38 Cb -0.02 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 3a2w s VAL 38 CO -0.00 0.28 0.14 -0.22 0.00 0.00 0.00 175.10 175.30 3a2w s LEU 39 N 1.61 3.85 0.07 3.92 1.98 -0.21 -1.86 118.68 128.04 3a2w s LEU 39 Ca 0.06 -0.24 0.06 0.00 -2.89 0.00 0.00 54.13 51.11 3a2w s LEU 39 Cb -0.16 -2.02 -0.03 0.00 0.66 0.00 0.00 46.19 44.65 3a2w s LEU 39 CO 0.04 -0.09 -0.15 0.72 -1.89 0.00 0.00 176.35 174.97 3a2w s PHE 40 N 1.67 1.31 0.35 5.38 -0.12 -0.60 -0.64 117.98 125.33 3a2w s PHE 40 Ca 0.06 -0.44 0.09 0.00 -0.05 0.00 0.00 56.93 56.59 3a2w s PHE 40 Cb -0.16 -0.74 -0.07 0.00 -0.63 0.00 0.00 43.02 41.43 3a2w s PHE 40 CO 0.07 0.08 -0.08 -1.54 -0.05 0.00 0.00 175.22 173.70 3a2w s SER 41 N -1.72 3.67 0.05 1.98 1.04 -0.85 -1.08 113.70 116.79 3a2w s SER 41 Ca -0.00 -1.22 -0.12 0.00 0.48 0.00 0.00 55.95 55.08 3a2w s SER 41 Cb -0.10 -0.34 0.01 0.00 0.10 0.00 0.00 66.02 65.69 3a2w s SER 41 CO 0.02 -0.25 0.26 -1.38 0.98 0.00 0.00 173.24 172.88 3a2w s HIS 42 N -2.66 -0.04 0.12 5.02 -3.43 -0.16 -3.84 115.29 110.29 3a2w s HIS 42 Ca 0.33 -0.14 -0.26 0.00 -0.80 0.00 0.00 55.06 54.19 3a2w s HIS 42 Cb 0.04 0.05 -0.06 0.00 -1.43 0.00 0.00 32.58 31.18 3a2w s HIS 42 CO 0.16 -0.48 1.64 -1.00 -2.00 0.00 0.00 174.74 173.06 3a2w h PRO 43 N 3.26 -0.38 -2.53 -0.38 0.13 -1.76 -3.39 132.00 126.94 3a2w h PRO 43 Ca -0.32 0.03 0.08 0.00 -0.87 0.00 0.00 66.00 64.92 3a2w h PRO 43 Cb 1.20 0.09 -0.12 0.00 0.13 0.00 0.00 31.00 32.29 3a2w h PRO 43 CO 0.47 -0.26 0.40 0.00 -0.23 0.00 0.00 178.00 178.38 3a2w s ALA 44 N -6.07 -1.69 0.70 -0.56 0.00 -1.26 -4.27 121.76 108.61 3a2w s ALA 44 Ca -0.15 0.62 -0.12 0.00 0.00 0.00 0.00 51.96 52.31 3a2w s ALA 44 Cb 0.09 0.61 0.02 0.00 0.00 0.00 0.00 23.12 23.84 3a2w s ALA 44 CO 0.66 -0.80 1.08 -0.51 0.00 0.00 0.00 175.76 176.19 3a2w s ASP 45 N -2.67 5.11 -1.33 0.00 1.01 -1.26 -3.81 116.67 113.72 3a2w s ASP 45 Ca 0.06 1.78 -0.07 0.00 0.71 0.00 0.00 52.55 55.03 3a2w s ASP 45 Cb -0.01 -2.52 0.01 0.00 1.01 0.00 0.00 42.92 41.41 3a2w s ASP 45 CO -0.07 -1.62 1.12 0.49 0.21 0.00 0.00 175.17 175.30 3a2w n PHE 46 N -2.95 -2.68 -4.84 4.23 3.01 -1.26 -5.02 117.46 107.96 3a2w n PHE 46 Ca 0.09 0.99 -0.25 0.00 1.01 0.00 0.00 57.45 59.28 3a2w n PHE 46 Cb 0.53 -4.99 -0.15 0.00 -0.01 0.00 0.00 39.48 34.86 3a2w n PHE 46 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3a2w s THR 47 N -3.34 1.49 0.10 4.37 -4.23 -1.25 -5.09 115.64 107.70 3a2w s THR 47 Ca 0.44 -0.87 -0.34 0.00 -1.18 0.00 0.00 61.69 59.74 3a2w s THR 47 Cb -0.20 -1.25 -0.14 0.00 1.34 0.00 0.00 72.50 72.25 3a2w s THR 47 CO 0.74 0.36 1.57 1.55 -0.54 0.00 0.00 174.62 178.30 3a2w h PRO 48 N 5.51 -0.75 -0.54 3.99 0.13 -1.95 -1.77 132.00 136.61 3a2w h PRO 48 Ca -0.38 0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.79 3a2w h PRO 48 Cb 1.15 0.17 -0.03 0.00 0.13 0.00 0.00 31.00 32.42 3a2w h PRO 48 CO 0.47 -0.50 0.32 0.28 -0.23 0.00 0.00 178.00 178.34 3a2w h VAL 49 N -0.78 1.17 -1.01 1.56 2.07 -1.99 -2.18 116.25 115.09 3a2w h VAL 49 Ca -0.01 -0.39 0.04 0.00 0.82 0.00 0.00 66.70 67.16 3a2w h VAL 49 Cb 0.77 0.44 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 3a2w h VAL 49 CO -0.24 0.17 0.66 0.28 0.02 0.00 0.00 177.57 178.47 3a2w h SER 50 N 0.73 1.10 0.08 0.57 0.02 -1.90 -1.46 113.55 112.69 3a2w h SER 50 Ca 0.19 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3a2w h SER 50 Cb -0.00 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.29 3a2w h SER 50 CO -0.04 0.75 -0.04 0.74 -1.14 0.00 0.00 176.83 177.11 3a2w h THR 51 N 1.27 0.93 -0.69 -2.27 2.02 -0.72 -1.66 112.91 111.79 3a2w h THR 51 Ca 0.40 -0.01 0.05 0.00 0.77 0.00 0.00 66.41 67.62 3a2w h THR 51 Cb 0.01 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 3a2w h THR 51 CO -0.13 0.00 0.46 0.71 0.37 0.00 0.00 175.52 176.93 3a2w h THR 52 N -0.11 1.06 -0.39 3.16 1.35 -0.90 -2.16 112.91 114.93 3a2w h THR 52 Ca -0.01 -0.27 -0.12 0.00 -0.55 0.00 0.00 66.41 65.46 3a2w h THR 52 Cb 0.08 0.22 -0.01 0.00 -1.73 0.00 0.00 68.15 66.71 3a2w h THR 52 CO 0.02 0.14 -0.23 -0.33 -0.25 0.00 0.00 175.52 174.87 3a2w h GLU 53 N 0.78 0.79 -0.39 4.72 5.08 -0.64 -1.67 114.58 123.26 3a2w h GLU 53 Ca 0.28 -0.33 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 3a2w h GLU 53 Cb 0.15 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3a2w h GLU 53 CO -0.09 0.95 -0.14 0.74 -1.00 0.00 0.00 179.01 179.47 3a2w h PHE 54 N 0.69 0.88 -0.61 4.33 -1.00 -0.83 -0.74 116.94 119.66 3a2w h PHE 54 Ca 0.09 -0.21 0.02 0.00 2.81 0.00 0.00 57.97 60.69 3a2w h PHE 54 Cb 0.75 -0.21 -0.04 0.00 3.61 0.00 0.00 35.95 40.07 3a2w h PHE 54 CO 0.04 0.94 0.38 0.28 -1.61 0.00 0.00 178.31 178.34 3a2w h VAL 55 N 0.58 1.09 -0.30 -0.55 2.07 -1.35 0.36 116.25 118.16 3a2w h VAL 55 Ca 0.09 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 3a2w h VAL 55 Cb 0.68 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3a2w h VAL 55 CO 0.05 0.14 0.16 -1.28 0.02 0.00 0.00 177.57 176.65 3a2w h SER 56 N 0.75 0.38 -0.71 0.57 0.87 -1.07 -0.82 113.55 113.52 3a2w h SER 56 Ca 0.24 -0.10 -0.05 0.00 -1.23 0.00 0.00 61.79 60.65 3a2w h SER 56 Cb 0.00 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 61.84 3a2w h SER 56 CO -0.09 0.37 0.25 -0.26 -0.53 0.00 0.00 176.83 176.57 3a2w h PHE 57 N 0.36 1.12 -0.14 2.24 -1.00 -0.67 -2.45 116.94 116.39 3a2w h PHE 57 Ca 0.10 -0.10 0.04 0.00 2.81 0.00 0.00 57.97 60.83 3a2w h PHE 57 Cb 0.08 -0.33 -0.05 0.00 3.61 0.00 0.00 35.95 39.27 3a2w h PHE 57 CO -0.03 0.88 -0.15 0.00 -1.61 0.00 0.00 178.31 177.40 3a2w h ALA 58 N 1.12 -0.06 0.00 2.45 0.00 0.14 0.12 119.26 123.02 3a2w h ALA 58 Ca 0.23 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 3a2w h ALA 58 Cb 0.26 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3a2w h ALA 58 CO -0.01 -0.60 -0.17 0.00 0.00 0.00 0.00 179.25 178.47 3a2w h ARG 59 N -0.18 0.00 -0.68 0.00 3.08 -1.00 -1.71 114.38 113.89 3a2w h ARG 59 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3a2w h ARG 59 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3a2w h ARG 59 CO -0.25 0.17 0.00 0.54 -1.07 0.00 0.00 179.97 179.36 3a2w n ARG 60 N -3.67 2.66 -0.25 0.04 1.74 -0.74 -4.44 116.66 112.00 3a2w n ARG 60 Ca -0.01 -2.57 0.03 0.00 -0.77 0.00 0.00 57.85 54.53 3a2w n ARG 60 Cb 0.29 -1.56 0.26 0.00 -1.02 0.00 0.00 32.46 30.44 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 4.29 0.96 -0.50 -1.55 3.20 0.18 -1.22 116.97 122.33 3a2w h TYR 61 Ca 0.00 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.79 3a2w h TYR 61 Cb 0.98 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.91 3a2w h TYR 61 CO 0.45 0.54 -0.09 1.05 -1.64 0.00 0.00 178.16 178.48 3a2w h GLU 62 N 0.98 0.91 -0.64 1.82 4.11 -1.79 -1.89 114.58 118.08 3a2w h GLU 62 Ca 0.34 -0.31 -0.05 0.00 0.07 0.00 0.00 59.36 59.41 3a2w h GLU 62 Cb 0.10 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 3a2w h GLU 62 CO -0.11 0.96 0.22 -0.44 0.07 0.00 0.00 179.01 179.71 3a2w h ASP 63 N 0.82 0.90 -0.03 3.06 3.32 -1.56 -1.80 116.42 121.13 3a2w h ASP 63 Ca 0.14 -0.14 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 3a2w h ASP 63 Cb 0.61 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 3a2w h ASP 63 CO 0.04 0.83 -0.35 -0.26 -1.72 0.00 0.00 179.24 177.78 3a2w h PHE 64 N 0.94 0.60 -0.37 4.55 -1.00 -1.02 -3.18 116.94 117.47 3a2w h PHE 64 Ca 0.21 -0.16 -0.01 0.00 2.81 0.00 0.00 57.97 60.82 3a2w h PHE 64 Cb 0.24 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 39.65 3a2w h PHE 64 CO 0.02 0.80 0.18 1.96 -1.61 0.00 0.00 178.31 179.66 3a2w h GLN 65 N 0.44 0.52 -0.32 1.51 4.20 -0.78 -0.52 115.11 120.16 3a2w h GLN 65 Ca 0.05 -0.07 0.09 0.00 0.06 0.00 0.00 58.65 58.78 3a2w h GLN 65 Cb 0.82 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 3a2w h GLN 65 CO 0.07 0.46 0.27 0.00 -0.67 0.00 0.00 178.83 178.96 3a2w h ARG 66 N 0.46 0.00 -0.01 1.46 3.08 -1.32 0.25 114.38 118.29 3a2w h ARG 66 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3a2w h ARG 66 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3a2w h ARG 66 CO -0.02 0.00 -0.11 1.28 -1.07 0.00 0.00 179.97 180.05 3a2w n LEU 67 N -4.12 1.60 -1.19 3.04 4.77 -0.95 -4.94 117.00 115.22 3a2w n LEU 67 Ca 0.05 -0.52 -0.07 0.00 -0.03 0.00 0.00 56.01 55.44 3a2w n LEU 67 Cb 0.44 -0.04 0.01 0.00 -2.33 0.00 0.00 43.42 41.51 3a2w n LEU 67 CO 0.32 0.28 0.01 0.61 -1.33 0.00 0.00 177.39 177.27 3a2w n GLY 68 N 1.26 0.30 3.38 -0.72 0.00 0.87 -4.91 105.19 105.37 3a2w n GLY 68 Ca 0.16 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 3a2w n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a2w s VAL 69 N -2.77 2.46 0.16 1.61 1.01 -0.25 -1.85 120.40 120.78 3a2w s VAL 69 Ca 0.11 -0.95 0.07 0.00 0.00 0.00 0.00 61.98 61.20 3a2w s VAL 69 Cb -0.05 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 3a2w s VAL 69 CO 0.13 0.58 0.01 -1.81 0.00 0.00 0.00 175.10 174.02 3a2w s ASP 70 N -0.64 4.89 0.01 3.32 1.01 0.92 -3.88 116.67 122.29 3a2w s ASP 70 Ca 0.10 -0.33 0.03 0.00 0.71 0.00 0.00 52.55 53.05 3a2w s ASP 70 Cb -0.10 -1.09 -0.03 0.00 1.01 0.00 0.00 42.92 42.70 3a2w s ASP 70 CO -0.00 0.10 -0.04 -0.76 0.21 0.00 0.00 175.17 174.68 3a2w s LEU 71 N -2.87 3.31 -0.19 1.23 1.43 -1.26 -0.11 118.68 120.23 3a2w s LEU 71 Ca 0.28 -0.10 -0.08 0.00 -1.03 0.00 0.00 54.13 53.20 3a2w s LEU 71 Cb -0.10 -1.91 0.08 0.00 0.03 0.00 0.00 46.19 44.30 3a2w s LEU 71 CO 0.19 0.28 0.41 -0.51 0.23 0.00 0.00 176.35 176.95 3a2w s ILE 72 N -1.05 -0.44 0.69 -0.59 1.10 -0.78 -4.24 121.20 115.90 3a2w s ILE 72 Ca 0.18 0.15 0.01 0.00 -0.51 0.00 0.00 60.65 60.49 3a2w s ILE 72 Cb -0.11 -0.64 0.13 0.00 0.15 0.00 0.00 42.46 41.99 3a2w s ILE 72 CO 0.09 0.06 0.94 0.61 -2.11 0.00 0.00 174.94 174.54 3a2w n GLY 73 N 5.02 0.88 3.64 1.50 0.00 -0.21 -1.55 105.19 114.47 3a2w n GLY 73 Ca -0.13 -2.06 -0.06 0.00 0.00 0.00 0.00 46.02 43.77 3a2w n GLY 73 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3a2w s LEU 74 N 0.00 -0.56 0.17 0.99 1.98 -0.24 -1.16 118.68 119.85 3a2w s LEU 74 Ca 0.64 0.96 -0.22 0.00 -2.89 0.00 0.00 54.13 52.61 3a2w s LEU 74 Cb -0.04 1.91 0.06 0.00 0.66 0.00 0.00 46.19 48.78 3a2w s LEU 74 CO 0.42 -0.16 0.59 -0.94 -1.89 0.00 0.00 176.35 174.37 3a2w s SER 75 N 0.98 -0.52 0.14 3.68 1.04 -1.03 -0.99 113.70 116.99 3a2w s SER 75 Ca -0.05 -0.07 0.19 0.00 0.48 0.00 0.00 55.95 56.50 3a2w s SER 75 Cb -0.04 0.60 0.80 0.00 0.10 0.00 0.00 66.02 67.47 3a2w s SER 75 CO -0.12 -0.99 1.58 1.33 0.98 0.00 0.00 173.24 176.02 3a2w n VAL 76 N -0.37 0.94 -1.18 5.02 0.24 -1.26 -1.27 118.33 120.45 3a2w n VAL 76 Ca -0.16 0.26 -0.30 0.00 -2.04 0.00 0.00 64.34 62.10 3a2w n VAL 76 Cb 0.64 -1.12 0.12 0.00 -1.47 0.00 0.00 33.84 32.02 3a2w n VAL 76 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3a2w s ASP 77 N -3.65 3.82 0.72 -1.34 -0.00 -1.26 -2.07 116.67 112.89 3a2w s ASP 77 Ca 0.05 1.67 -0.07 0.00 -0.00 0.00 0.00 52.55 54.20 3a2w s ASP 77 Cb 0.09 -2.34 0.07 0.00 -0.00 0.00 0.00 42.92 40.74 3a2w s ASP 77 CO 0.32 -2.45 1.04 -0.44 -0.00 0.00 0.00 175.17 173.64 3a2w s SER 78 N -3.34 4.69 0.34 0.27 0.01 -1.26 -3.62 113.70 110.78 3a2w s SER 78 Ca 0.63 0.42 0.05 0.00 1.31 0.00 0.00 55.95 58.36 3a2w s SER 78 Cb -0.18 -1.02 0.62 0.00 0.21 0.00 0.00 66.02 65.65 3a2w s SER 78 CO 0.57 -1.69 1.87 -0.37 0.41 0.00 0.00 173.24 174.03 3a2w h VAL 79 N -0.68 1.20 -0.72 3.43 -1.51 -1.94 -1.29 116.25 114.75 3a2w h VAL 79 Ca -0.44 -0.84 -0.06 0.00 -1.23 0.00 0.00 66.70 64.13 3a2w h VAL 79 Cb 1.31 1.05 -0.03 0.00 -2.13 0.00 0.00 31.29 31.49 3a2w h VAL 79 CO 0.58 0.28 0.21 -0.26 -1.23 0.00 0.00 177.57 177.16 3a2w h PHE 80 N 0.43 1.17 -0.40 5.19 -1.00 -1.99 0.37 116.94 120.71 3a2w h PHE 80 Ca 0.09 -0.12 -0.15 0.00 2.81 0.00 0.00 57.97 60.59 3a2w h PHE 80 Cb 0.38 -0.34 -0.01 0.00 3.61 0.00 0.00 35.95 39.59 3a2w h PHE 80 CO 0.01 0.93 -0.35 0.77 -1.61 0.00 0.00 178.31 178.06 3a2w h SER 81 N 1.07 1.00 0.10 2.17 0.02 -1.88 -1.68 113.55 114.35 3a2w h SER 81 Ca 0.23 -0.44 0.01 0.00 -0.84 0.00 0.00 61.79 60.75 3a2w h SER 81 Cb 0.32 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 3a2w h SER 81 CO -0.01 1.24 -0.18 0.45 -1.14 0.00 0.00 176.83 177.19 3a2w h HIS 82 N 0.78 -0.48 -0.75 3.45 3.86 -0.63 0.79 115.15 122.16 3a2w h HIS 82 Ca 0.07 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.26 3a2w h HIS 82 Cb 0.95 0.20 -0.03 0.00 1.06 0.00 0.00 27.41 29.58 3a2w h HIS 82 CO 0.06 -0.27 0.33 0.82 0.86 0.00 0.00 177.93 179.73 3a2w h ILE 83 N -0.35 1.24 -0.32 2.45 2.04 -0.88 -0.67 117.51 121.02 3a2w h ILE 83 Ca 0.03 -0.72 -0.06 0.00 1.00 0.00 0.00 64.86 65.11 3a2w h ILE 83 Cb 0.37 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 3a2w h ILE 83 CO -0.11 0.30 -0.01 0.11 0.00 0.00 0.00 178.15 178.44 3a2w h LYS 84 N 1.07 0.58 -1.00 2.37 1.79 -0.96 -1.81 116.57 118.61 3a2w h LYS 84 Ca 0.26 -0.19 0.04 0.00 -2.18 0.00 0.00 60.65 58.57 3a2w h LYS 84 Cb 0.15 -0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 30.69 3a2w h LYS 84 CO -0.03 0.72 0.65 2.35 -1.08 0.00 0.00 179.45 182.07 3a2w h TRP 85 N 0.37 1.22 -0.57 -1.35 7.01 -0.46 0.01 115.95 122.19 3a2w h TRP 85 Ca 0.09 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.08 3a2w h TRP 85 Cb 0.47 -0.41 -0.02 0.00 -2.10 0.00 0.00 29.16 27.10 3a2w h TRP 85 CO 0.04 0.70 0.18 0.87 -2.79 0.00 0.00 178.44 177.44 3a2w h LYS 86 N 1.26 0.89 -0.74 2.65 1.57 -0.92 -1.71 116.57 119.56 3a2w h LYS 86 Ca 0.40 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.96 3a2w h LYS 86 Cb 0.01 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 3a2w h LYS 86 CO -0.13 0.80 0.36 0.93 -0.57 0.00 0.00 179.45 180.84 3a2w h GLU 87 N 0.80 1.06 -0.80 3.15 5.08 -0.37 -0.85 114.58 122.64 3a2w h GLU 87 Ca 0.19 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 3a2w h GLU 87 Cb 0.28 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 3a2w h GLU 87 CO -0.01 0.81 0.34 2.35 -1.00 0.00 0.00 179.01 181.51 3a2w h TRP 88 N 1.05 1.20 -0.27 4.33 7.01 -0.59 -1.40 115.95 127.28 3a2w h TRP 88 Ca 0.26 -0.08 -0.14 0.00 2.11 0.00 0.00 58.89 61.04 3a2w h TRP 88 Cb 0.10 -0.36 -0.00 0.00 -2.10 0.00 0.00 29.16 26.80 3a2w h TRP 88 CO 0.01 0.89 -0.38 0.82 -2.79 0.00 0.00 178.44 177.00 3a2w h ILE 89 N 1.16 1.30 -0.61 2.65 2.04 -0.53 -0.20 117.51 123.33 3a2w h ILE 89 Ca 0.27 -1.57 -0.08 0.00 1.00 0.00 0.00 64.86 64.49 3a2w h ILE 89 Cb 0.19 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 3a2w h ILE 89 CO -0.03 0.50 0.07 -0.08 0.00 0.00 0.00 178.15 178.61 3a2w h GLU 90 N 0.47 1.01 -0.05 2.37 4.81 -1.06 0.12 114.58 122.25 3a2w h GLU 90 Ca 0.03 -0.27 -0.25 0.00 -0.13 0.00 0.00 59.36 58.74 3a2w h GLU 90 Cb 0.97 -0.12 0.02 0.00 0.63 0.00 0.00 28.75 30.25 3a2w h GLU 90 CO 0.09 0.95 -0.94 -0.09 -0.73 0.00 0.00 179.01 178.29 3a2w h ARG 91 N 0.95 0.72 0.00 1.92 2.43 -1.23 -1.96 114.38 117.21 3a2w h ARG 91 Ca 0.18 -0.71 -0.20 0.00 -0.81 0.00 0.00 59.98 58.44 3a2w h ARG 91 Cb 0.45 0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 30.15 3a2w h ARG 91 CO 0.02 1.30 -1.92 0.72 -1.51 0.00 0.00 179.97 178.57 3a2w n HIS 92 N -3.90 0.38 0.03 2.20 8.25 -0.09 -4.45 115.22 117.64 3a2w n HIS 92 Ca -0.10 0.13 0.06 0.00 -0.26 0.00 0.00 57.72 57.55 3a2w n HIS 92 Cb 0.83 -0.91 -0.10 0.00 1.12 0.00 0.00 29.99 30.93 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 -2.69 0.00 -0.93 1.59 2.08 0.35 -4.59 119.36 115.18 3a2w n ILE 93 Ca -0.17 -0.28 0.00 0.00 0.56 0.00 0.00 62.75 62.86 3a2w n ILE 93 Cb 0.90 0.26 0.00 0.00 -0.75 0.00 0.00 39.64 40.05 3a2w n ILE 93 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3a2w n GLY 94 N 1.75 0.52 3.35 7.39 0.00 -0.74 -4.97 105.19 112.51 3a2w n GLY 94 Ca -0.02 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 3a2w n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a2w s VAL 95 N -2.00 3.14 -0.20 1.61 1.01 -1.22 -4.94 120.40 117.80 3a2w s VAL 95 Ca 0.00 -0.61 -0.19 0.00 0.00 0.00 0.00 61.98 61.17 3a2w s VAL 95 Cb 0.00 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 3a2w s VAL 95 CO 0.00 0.50 0.55 -0.60 0.00 0.00 0.00 175.10 175.55 3a2w s ARG 96 N 0.65 4.19 -0.46 2.72 3.52 -1.26 -2.91 118.95 125.40 3a2w s ARG 96 Ca -0.06 0.47 -0.27 0.00 -0.13 0.00 0.00 55.73 55.75 3a2w s ARG 96 Cb -0.15 -3.57 0.03 0.00 -1.56 0.00 0.00 34.95 29.69 3a2w s ARG 96 CO 0.02 -0.19 1.00 0.42 -0.81 0.00 0.00 175.30 175.75 3a2w s ILE 97 N 1.76 4.39 -0.07 4.11 1.09 -1.26 -4.92 121.20 126.30 3a2w s ILE 97 Ca 0.25 0.96 0.13 0.00 -1.10 0.00 0.00 60.65 60.89 3a2w s ILE 97 Cb -0.16 -4.49 -0.04 0.00 -1.06 0.00 0.00 42.46 36.72 3a2w s ILE 97 CO 0.10 -0.87 1.34 1.55 -0.10 0.00 0.00 174.94 176.96 3a2w h PRO 98 N 9.07 0.00 -6.64 2.79 0.13 -1.95 -3.47 132.00 131.93 3a2w h PRO 98 Ca -0.24 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.39 3a2w h PRO 98 Cb 1.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 3a2w h PRO 98 CO 1.06 0.65 -0.03 -0.59 -0.23 0.00 0.00 178.00 178.85 3a2w s PHE 99 N -2.87 3.47 0.62 1.56 -0.12 -1.26 -5.08 117.98 114.29 3a2w s PHE 99 Ca 0.02 0.81 -0.14 0.00 -0.05 0.00 0.00 56.93 57.58 3a2w s PHE 99 Cb 0.08 -2.25 -0.03 0.00 -0.63 0.00 0.00 43.02 40.20 3a2w s PHE 99 CO 0.77 0.06 1.05 -1.25 -0.05 0.00 0.00 175.22 175.79 3a2w s PRO 100 N -3.67 3.31 -0.06 1.99 0.04 -1.26 -4.90 135.00 130.46 3a2w s PRO 100 Ca 0.47 1.05 0.03 0.00 0.04 0.00 0.00 61.00 62.59 3a2w s PRO 100 Cb -0.11 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.40 3a2w s PRO 100 CO 0.30 -0.81 -0.15 0.42 0.04 0.00 0.00 177.00 176.81 3a2w s ILE 101 N -2.73 1.33 0.12 0.56 1.01 -1.26 -1.05 121.20 119.18 3a2w s ILE 101 Ca 0.60 -0.62 -0.27 0.00 0.00 0.00 0.00 60.65 60.36 3a2w s ILE 101 Cb -0.14 -1.17 -0.07 0.00 0.01 0.00 0.00 42.46 41.09 3a2w s ILE 101 CO 0.43 0.39 0.84 -0.63 0.00 0.00 0.00 174.94 175.98 3a2w s ILE 102 N 0.34 4.47 -0.30 2.92 1.01 -0.31 -2.06 121.20 127.28 3a2w s ILE 102 Ca -0.10 1.83 -0.11 0.00 0.00 0.00 0.00 60.65 62.27 3a2w s ILE 102 Cb -0.14 -4.21 -0.03 0.00 0.01 0.00 0.00 42.46 38.10 3a2w s ILE 102 CO 0.03 0.42 0.19 0.00 0.00 0.00 0.00 174.94 175.58 3a2w s ALA 103 N -0.51 3.43 -0.39 9.38 0.00 0.60 -2.48 121.76 131.80 3a2w s ALA 103 Ca 0.40 -1.24 0.07 0.00 0.00 0.00 0.00 51.96 51.19 3a2w s ALA 103 Cb -0.23 -2.48 0.43 0.00 0.00 0.00 0.00 23.12 20.85 3a2w s ALA 103 CO 0.27 -0.74 1.11 -3.47 0.00 0.00 0.00 175.76 172.93 3a2w n ASP 104 N 5.05 4.38 -0.53 0.00 4.64 -0.40 -4.57 116.55 125.12 3a2w n ASP 104 Ca -0.14 -3.59 0.43 0.00 -1.38 0.00 0.00 54.79 50.11 3a2w n ASP 104 Cb 0.51 -0.44 0.66 0.00 -1.04 0.00 0.00 41.12 40.80 3a2w n ASP 104 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 3a2w n PRO 105 N -0.49 0.00 -0.19 -0.67 -0.02 -0.88 -0.41 135.00 132.33 3a2w n PRO 105 Ca 0.37 0.97 0.07 0.00 -2.02 0.00 0.00 63.50 62.89 3a2w n PRO 105 Cb 0.74 -2.29 0.17 0.00 -0.02 0.00 0.00 33.50 32.10 3a2w n PRO 105 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3a2w n GLN 106 N -3.57 2.65 -1.02 -0.52 1.13 -1.26 -4.96 117.38 109.83 3a2w n GLN 106 Ca 0.36 -2.08 -0.01 0.00 -1.94 0.00 0.00 57.00 53.33 3a2w n GLN 106 Cb 1.73 -1.32 -0.00 0.00 0.11 0.00 0.00 30.24 30.76 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 0.73 0.31 0.41 1.08 0.00 0.45 -4.92 105.19 103.25 3a2w n GLY 107 Ca 0.13 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 3a2w n GLY 107 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3a2w h THR 108 N 0.00 0.00 -0.58 2.61 2.02 -1.93 0.28 112.91 115.31 3a2w h THR 108 Ca -0.01 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.20 3a2w h THR 108 Cb 0.49 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.86 3a2w h THR 108 CO 0.02 0.00 0.35 0.58 0.37 0.00 0.00 175.52 176.84 3a2w h VAL 109 N -0.70 1.06 -0.43 3.16 2.07 -1.91 -2.36 116.25 117.14 3a2w h VAL 109 Ca -0.02 -0.24 0.09 0.00 0.82 0.00 0.00 66.70 67.35 3a2w h VAL 109 Cb 0.67 0.31 -0.09 0.00 -1.52 0.00 0.00 31.29 30.66 3a2w h VAL 109 CO -0.18 0.13 -0.13 0.00 0.02 0.00 0.00 177.57 177.40 3a2w h ALA 110 N 1.26 0.25 -0.53 1.67 0.00 -1.76 0.22 119.26 120.37 3a2w h ALA 110 Ca 0.24 0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.25 3a2w h ALA 110 Cb 0.03 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3a2w h ALA 110 CO -0.10 -0.47 0.08 0.00 0.00 0.00 0.00 179.25 178.75 3a2w h ARG 111 N -0.03 0.83 -0.32 0.00 3.08 -0.14 0.23 114.38 118.03 3a2w h ARG 111 Ca 0.21 -0.19 -0.07 0.00 0.07 0.00 0.00 59.98 59.99 3a2w h ARG 111 Cb 0.35 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 3a2w h ARG 111 CO -0.46 0.78 -0.11 -0.09 -1.07 0.00 0.00 179.97 179.03 3a2w h ARG 112 N 0.79 0.54 -0.09 0.04 2.43 -0.69 -2.57 114.38 114.84 3a2w h ARG 112 Ca 0.17 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3a2w h ARG 112 Cb 0.36 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 3a2w h ARG 112 CO 0.01 0.65 0.00 1.28 -1.51 0.00 0.00 179.97 180.40 3a2w n LEU 113 N -4.20 2.82 -3.05 3.80 4.77 -0.06 -4.41 117.00 116.66 3a2w n LEU 113 Ca 0.01 -0.99 -0.21 0.00 -0.03 0.00 0.00 56.01 54.79 3a2w n LEU 113 Cb 0.32 -0.04 0.06 0.00 -2.33 0.00 0.00 43.42 41.43 3a2w n LEU 113 CO 0.41 0.50 0.16 0.61 -1.33 0.00 0.00 177.39 177.73 3a2w n GLY 114 N 1.34 -0.36 0.37 -0.72 0.00 0.64 -4.52 105.19 101.95 3a2w n GLY 114 Ca 0.16 0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.42 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 -4.20 1.18 -4.29 0.99 4.77 -0.25 -4.72 117.00 110.48 3a2w n LEU 115 Ca -0.02 -0.38 -0.41 0.00 -0.03 0.00 0.00 56.01 55.17 3a2w n LEU 115 Cb 0.57 -0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.55 3a2w n LEU 115 CO 0.52 0.20 -0.06 -0.76 -1.33 0.00 0.00 177.39 175.97 3a2w s LEU 116 N -2.07 5.36 0.00 2.23 1.43 -1.26 -1.28 118.68 123.09 3a2w s LEU 116 Ca 0.38 -1.52 0.08 0.00 -1.03 0.00 0.00 54.13 52.04 3a2w s LEU 116 Cb 0.21 -2.04 0.08 0.00 0.03 0.00 0.00 46.19 44.47 3a2w s LEU 116 CO 0.36 -0.59 0.66 1.41 0.23 0.00 0.00 176.35 178.42 3a2w n HIS 117 N 4.99 -1.85 0.17 0.29 8.25 -1.26 -4.98 115.22 120.83 3a2w n HIS 117 Ca -0.10 -2.07 0.10 0.00 -0.26 0.00 0.00 57.72 55.38 3a2w n HIS 117 Cb 0.43 -0.50 0.50 0.00 1.12 0.00 0.00 29.99 31.54 3a2w n HIS 117 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3a2w n ALA 118 N -2.24 1.11 1.11 -1.41 0.00 -1.26 -2.32 120.51 115.50 3a2w n ALA 118 Ca -0.14 0.16 0.09 0.00 0.00 0.00 0.00 53.44 53.55 3a2w n ALA 118 Cb 0.58 -1.28 0.53 0.00 0.00 0.00 0.00 19.45 19.28 3a2w n ALA 118 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3a2w n GLU 119 N -2.15 0.53 0.00 0.00 2.13 -1.26 -4.70 120.64 115.18 3a2w n GLU 119 Ca -0.01 0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.83 3a2w n GLU 119 Cb 0.05 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.26 3a2w n GLU 119 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3a2w n SER 120 N -1.05 0.00 -0.35 4.31 2.88 -0.98 -5.01 113.62 113.42 3a2w n SER 120 Ca 0.13 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.78 3a2w n SER 120 Cb 0.08 0.00 0.48 0.00 -0.75 0.00 0.00 64.21 64.02 3a2w n SER 120 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3a2w n ALA 121 N 0.00 2.56 -0.05 -1.46 0.00 -1.26 -4.08 120.51 116.22 3a2w n ALA 121 Ca 0.00 -0.38 -0.07 0.00 0.00 0.00 0.00 53.44 52.99 3a2w n ALA 121 Cb 0.00 -1.19 -0.06 0.00 0.00 0.00 0.00 19.45 18.20 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 -0.10 0.66 -4.37 0.00 5.66 -1.26 -5.05 114.28 109.81 3a2w n THR 122 Ca 0.16 -0.29 -0.29 0.00 -3.05 0.00 0.00 64.05 60.58 3a2w n THR 122 Cb 0.24 -0.87 -0.12 0.00 -1.55 0.00 0.00 70.33 68.03 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 -2.23 2.37 0.63 1.09 4.02 -1.26 -4.95 115.29 114.96 3a2w s HIS 123 Ca -0.13 -0.35 -0.13 0.00 1.02 0.00 0.00 55.06 55.47 3a2w s HIS 123 Cb 0.04 -1.26 -0.02 0.00 -1.02 0.00 0.00 32.58 30.31 3a2w s HIS 123 CO 0.30 0.37 1.05 0.95 1.02 0.00 0.00 174.74 178.43 3a2w s THR 124 N -1.15 4.04 0.43 1.30 -4.23 -1.26 -4.67 115.64 110.09 3a2w s THR 124 Ca 0.16 0.82 -0.05 0.00 -1.18 0.00 0.00 61.69 61.43 3a2w s THR 124 Cb -0.10 -3.46 0.09 0.00 1.34 0.00 0.00 72.50 70.38 3a2w s THR 124 CO 0.08 -0.71 0.59 1.33 -0.54 0.00 0.00 174.62 175.36 3a2w n VAL 125 N -2.48 0.00 -3.17 2.29 0.24 -0.40 -3.12 118.33 111.68 3a2w n VAL 125 Ca 0.08 -0.58 -0.45 0.00 -2.04 0.00 0.00 64.34 61.35 3a2w n VAL 125 Cb 0.53 -1.54 -0.01 0.00 -1.47 0.00 0.00 33.84 31.36 3a2w n VAL 125 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3a2w s ARG 126 N -4.15 4.03 0.38 7.34 0.52 -0.63 -4.00 118.95 122.44 3a2w s ARG 126 Ca 0.35 -2.78 -0.03 0.00 -0.52 0.00 0.00 55.73 52.75 3a2w s ARG 126 Cb -0.01 -4.74 -0.04 0.00 0.52 0.00 0.00 34.95 30.68 3a2w s ARG 126 CO 0.24 -1.47 0.64 0.20 0.02 0.00 0.00 175.30 174.93 3a2w s GLY 127 N 2.14 1.57 -0.03 -3.53 0.00 -1.25 -1.18 107.32 105.04 3a2w s GLY 127 Ca 0.33 -0.64 -0.01 0.00 0.00 0.00 0.00 44.72 44.40 3a2w s GLY 127 CO -0.06 -0.53 0.04 0.14 0.00 0.00 0.00 173.10 172.69 3a2w s VAL 128 N -2.39 -0.06 -0.19 1.40 1.01 0.64 -2.00 120.40 118.81 3a2w s VAL 128 Ca 0.44 0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.72 3a2w s VAL 128 Cb -0.10 -0.12 0.03 0.00 0.00 0.00 0.00 36.38 36.20 3a2w s VAL 128 CO 0.37 0.12 -0.15 -0.36 0.00 0.00 0.00 175.10 175.08 3a2w s PHE 129 N 1.46 2.71 -0.33 5.22 0.40 0.19 -1.49 117.98 126.13 3a2w s PHE 129 Ca -0.04 -1.70 -0.15 0.00 -0.60 0.00 0.00 56.93 54.44 3a2w s PHE 129 Cb -0.13 -1.82 -0.02 0.00 0.51 0.00 0.00 43.02 41.57 3a2w s PHE 129 CO -0.03 -0.79 0.35 0.42 0.70 0.00 0.00 175.22 175.87 3a2w s ILE 130 N 1.30 5.18 -0.10 0.64 -1.09 -0.69 -1.05 121.20 125.39 3a2w s ILE 130 Ca 0.01 0.12 0.04 0.00 -2.23 0.00 0.00 60.65 58.58 3a2w s ILE 130 Cb -0.15 -3.79 -0.00 0.00 -1.58 0.00 0.00 42.46 36.94 3a2w s ILE 130 CO -0.10 -0.04 -0.23 -0.69 -1.23 0.00 0.00 174.94 172.65 3a2w s VAL 131 N 2.01 2.17 0.98 2.92 1.01 -0.48 -0.74 120.40 128.28 3a2w s VAL 131 Ca 0.12 -0.98 -0.16 0.00 0.00 0.00 0.00 61.98 60.95 3a2w s VAL 131 Cb -0.16 -1.84 0.21 0.00 0.00 0.00 0.00 36.38 34.59 3a2w s VAL 131 CO 0.11 0.56 1.33 1.51 0.00 0.00 0.00 175.10 178.61 3a2w s ASP 132 N 0.32 2.91 0.00 3.32 1.47 -0.79 -1.22 116.67 122.68 3a2w s ASP 132 Ca -0.17 0.23 0.08 0.00 1.18 0.00 0.00 52.55 53.86 3a2w s ASP 132 Cb -0.18 -0.24 0.45 0.00 -0.34 0.00 0.00 42.92 42.62 3a2w s ASP 132 CO 0.08 -2.86 0.86 0.00 0.68 0.00 0.00 175.17 173.94 3a2w n ALA 133 N -3.84 1.86 -0.30 2.11 0.00 -1.26 -1.22 120.51 117.86 3a2w n ALA 133 Ca 0.16 -0.05 0.05 0.00 0.00 0.00 0.00 53.44 53.60 3a2w n ALA 133 Cb 0.59 -1.12 0.13 0.00 0.00 0.00 0.00 19.45 19.05 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 -0.87 2.83 -1.13 0.00 1.74 -1.26 -4.68 116.66 113.29 3a2w n ARG 134 Ca 0.06 -2.07 -0.04 0.00 -0.77 0.00 0.00 57.85 55.02 3a2w n ARG 134 Cb 0.03 -1.30 -0.02 0.00 -1.02 0.00 0.00 32.46 30.14 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 0.03 0.68 3.78 -0.13 0.00 -0.36 -4.92 105.19 104.28 3a2w n GLY 135 Ca 0.11 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.97 5.13 -0.08 1.61 1.01 -1.26 0.19 120.40 125.04 3a2w s VAL 136 Ca 0.00 0.83 -0.30 0.00 0.00 0.00 0.00 61.98 62.51 3a2w s VAL 136 Cb 0.00 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 3a2w s VAL 136 CO 0.00 0.46 1.38 -0.63 0.00 0.00 0.00 175.10 176.31 3a2w s ILE 137 N -0.23 3.96 -0.06 2.22 1.01 0.93 -1.89 121.20 127.14 3a2w s ILE 137 Ca 0.23 1.23 0.15 0.00 0.00 0.00 0.00 60.65 62.26 3a2w s ILE 137 Cb -0.15 -3.79 -0.23 0.00 0.01 0.00 0.00 42.46 38.30 3a2w s ILE 137 CO 0.11 -0.07 0.25 0.54 0.00 0.00 0.00 174.94 175.77 3a2w n ARG 138 N 6.23 0.84 -3.59 2.79 5.12 0.09 -0.37 116.66 127.76 3a2w n ARG 138 Ca 0.14 -0.10 -0.12 0.00 -1.93 0.00 0.00 57.85 55.84 3a2w n ARG 138 Cb 0.44 -1.38 -0.06 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 -2.86 0.00 -0.02 0.55 2.01 -1.21 -4.91 115.64 109.19 3a2w s THR 139 Ca -0.06 0.00 0.02 0.00 0.31 0.00 0.00 61.69 61.96 3a2w s THR 139 Cb 0.08 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.60 3a2w s THR 139 CO 0.64 0.00 -0.07 -0.04 -0.69 0.00 0.00 174.62 174.46 3a2w s MET 140 N -0.51 0.77 -0.04 4.92 -1.94 -1.26 -1.70 119.30 119.55 3a2w s MET 140 Ca -0.02 -0.22 0.02 0.00 -1.71 0.00 0.00 55.69 53.77 3a2w s MET 140 Cb -0.02 -0.75 0.01 0.00 2.01 0.00 0.00 34.83 36.08 3a2w s MET 140 CO 0.00 0.06 -0.09 -0.51 -0.01 0.00 0.00 175.02 174.48 3a2w s LEU 141 N 0.30 1.63 -0.31 -0.03 1.43 -0.56 -4.97 118.68 116.17 3a2w s LEU 141 Ca -0.04 -0.20 0.03 0.00 -1.03 0.00 0.00 54.13 52.88 3a2w s LEU 141 Cb -0.08 -0.60 0.09 0.00 0.03 0.00 0.00 46.19 45.62 3a2w s LEU 141 CO 0.00 0.03 0.02 -0.31 0.23 0.00 0.00 176.35 176.32 3a2w s TYR 142 N 0.50 3.26 0.29 0.29 1.51 -1.26 -0.26 117.35 121.68 3a2w s TYR 142 Ca -0.08 -2.60 -0.01 0.00 -1.01 0.00 0.00 57.07 53.37 3a2w s TYR 142 Cb -0.12 -2.47 -0.04 0.00 -0.11 0.00 0.00 41.96 39.22 3a2w s TYR 142 CO 0.01 -0.91 0.50 0.71 -1.11 0.00 0.00 175.55 174.75 3a2w s TYR 143 N 1.08 3.49 0.71 2.71 1.51 -0.32 -4.96 117.35 121.57 3a2w s TYR 143 Ca 0.06 0.39 -0.05 0.00 -1.01 0.00 0.00 57.07 56.47 3a2w s TYR 143 Cb -0.19 -1.91 0.09 0.00 -0.11 0.00 0.00 41.96 39.83 3a2w s TYR 143 CO -0.10 0.21 1.00 -1.25 -1.11 0.00 0.00 175.55 174.30 3a2w s PRO 144 N -3.88 1.98 0.28 -1.71 0.04 -1.26 -1.61 135.00 128.83 3a2w s PRO 144 Ca 0.40 -0.57 -0.01 0.00 0.04 0.00 0.00 61.00 60.86 3a2w s PRO 144 Cb -0.10 -2.23 0.47 0.00 0.04 0.00 0.00 34.50 32.68 3a2w s PRO 144 CO 0.33 -1.31 1.87 0.52 0.04 0.00 0.00 177.00 178.45 3a2w h MET 145 N -0.56 1.07 -0.00 4.56 2.86 -1.94 -2.90 114.93 118.01 3a2w h MET 145 Ca -0.42 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 3a2w h MET 145 Cb 1.29 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 32.71 3a2w h MET 145 CO 0.52 0.71 -0.05 -0.85 1.06 0.00 0.00 176.91 178.29 3a2w n GLU 146 N -4.53 0.51 -4.06 1.72 0.00 -1.26 -4.78 120.64 108.24 3a2w n GLU 146 Ca 0.16 -0.08 -0.31 0.00 0.00 0.00 0.00 57.16 56.93 3a2w n GLU 146 Cb 0.24 -1.50 -0.16 0.00 0.00 0.00 0.00 31.44 30.02 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 -2.55 1.97 0.49 -1.84 0.20 -1.09 -5.11 118.68 110.75 3a2w s LEU 147 Ca 0.28 -0.61 -0.20 0.00 0.69 0.00 0.00 54.13 54.29 3a2w s LEU 147 Cb 0.20 -1.33 -0.08 0.00 -0.43 0.00 0.00 46.19 44.55 3a2w s LEU 147 CO 0.47 -0.04 1.05 -0.83 -0.29 0.00 0.00 176.35 176.71 3a2w s GLY 148 N 1.38 2.53 0.76 7.98 0.00 -1.26 -4.48 107.32 114.23 3a2w s GLY 148 Ca 0.04 0.63 -0.12 0.00 0.00 0.00 0.00 44.72 45.28 3a2w s GLY 148 CO -0.11 0.96 1.11 0.50 0.00 0.00 0.00 173.10 175.55 3a2w s ARG 149 N -3.19 2.41 -0.76 2.90 0.52 -1.26 -5.02 118.95 114.55 3a2w s ARG 149 Ca 0.67 0.49 -0.10 0.00 -0.52 0.00 0.00 55.73 56.27 3a2w s ARG 149 Cb -0.17 -1.97 0.20 0.00 0.52 0.00 0.00 34.95 33.53 3a2w s ARG 149 CO 0.21 -1.36 0.66 -1.17 0.02 0.00 0.00 175.30 173.66 3a2w s LEU 150 N -5.57 6.20 0.42 2.53 2.96 -1.26 -4.95 118.68 119.02 3a2w s LEU 150 Ca 0.60 -2.78 0.14 0.00 -0.22 0.00 0.00 54.13 51.86 3a2w s LEU 150 Cb -0.12 -2.08 1.00 0.00 0.50 0.00 0.00 46.19 45.48 3a2w s LEU 150 CO 0.52 -0.49 1.94 0.58 -1.32 0.00 0.00 176.35 177.59 3a2w h VAL 151 N 4.93 0.86 0.00 1.68 2.07 -1.97 -1.21 116.25 122.60 3a2w h VAL 151 Ca 0.07 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 3a2w h VAL 151 Cb 1.00 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 3a2w h VAL 151 CO 0.74 0.08 -0.15 0.44 0.02 0.00 0.00 177.57 178.70 3a2w h ASP 152 N 0.47 0.00 0.62 0.57 3.32 -1.92 -1.35 116.42 118.12 3a2w h ASP 152 Ca 0.33 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.25 3a2w h ASP 152 Cb 0.66 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 3a2w h ASP 152 CO -0.11 0.15 -0.63 -0.08 -1.72 0.00 0.00 179.24 176.86 3a2w h GLU 153 N 0.00 0.01 -0.41 3.56 4.57 -1.57 -1.39 114.58 119.34 3a2w h GLU 153 Ca -0.00 -0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.07 3a2w h GLU 153 Cb 0.31 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 3a2w h GLU 153 CO 0.02 0.63 -0.18 0.82 -1.18 0.00 0.00 179.01 179.12 3a2w h ILE 154 N 0.00 1.27 -0.39 2.32 2.04 -1.24 -0.83 117.51 120.68 3a2w h ILE 154 Ca -0.01 -1.27 -0.05 0.00 1.00 0.00 0.00 64.86 64.53 3a2w h ILE 154 Cb 1.11 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 3a2w h ILE 154 CO 0.08 0.43 0.06 -0.07 0.00 0.00 0.00 178.15 178.65 3a2w h LEU 155 N 0.70 0.62 -0.93 1.44 3.38 -1.12 -2.40 115.31 116.99 3a2w h LEU 155 Ca 0.10 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 3a2w h LEU 155 Cb 0.68 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 3a2w h LEU 155 CO 0.05 0.73 0.35 -0.09 0.09 0.00 0.00 178.44 179.57 3a2w h ARG 156 N 0.49 1.12 -0.34 1.13 2.43 -0.96 -2.02 114.38 116.23 3a2w h ARG 156 Ca 0.12 -0.17 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3a2w h ARG 156 Cb 0.37 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 3a2w h ARG 156 CO 0.01 0.87 0.20 0.82 -1.51 0.00 0.00 179.97 180.36 3a2w h ILE 157 N 1.10 1.12 0.14 1.20 2.04 -0.98 -1.34 117.51 120.80 3a2w h ILE 157 Ca 0.26 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 3a2w h ILE 157 Cb 0.14 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 3a2w h ILE 157 CO -0.03 0.12 -0.07 0.58 0.00 0.00 0.00 178.15 178.75 3a2w h VAL 158 N 0.43 0.95 -0.40 1.67 2.07 -1.17 -1.58 116.25 118.22 3a2w h VAL 158 Ca 0.12 -0.39 0.05 0.00 0.82 0.00 0.00 66.70 67.30 3a2w h VAL 158 Cb 0.03 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 3a2w h VAL 158 CO -0.02 0.09 0.13 0.50 0.02 0.00 0.00 177.57 178.30 3a2w h LYS 159 N -0.38 0.28 -0.48 1.57 1.63 -1.34 -1.01 116.57 116.85 3a2w h LYS 159 Ca -0.02 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 3a2w h LYS 159 Cb 0.30 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.84 3a2w h LYS 159 CO 0.03 0.19 0.24 0.00 -3.45 0.00 0.00 179.45 176.46 3a2w h ALA 160 N 1.26 0.61 -0.91 5.00 0.00 -1.24 -0.05 119.26 123.94 3a2w h ALA 160 Ca 0.18 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3a2w h ALA 160 Cb 0.17 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 3a2w h ALA 160 CO -0.19 0.16 0.60 1.25 0.00 0.00 0.00 179.25 181.06 3a2w h LEU 161 N 0.63 1.03 -0.61 0.00 5.85 -0.89 0.15 115.31 121.47 3a2w h LEU 161 Ca 0.17 -0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.73 3a2w h LEU 161 Cb 0.09 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 3a2w h LEU 161 CO -0.02 0.74 -0.34 0.11 -0.34 0.00 0.00 178.44 178.59 3a2w h LYS 162 N 1.22 0.73 -0.08 1.25 1.57 -0.88 -1.72 116.57 118.66 3a2w h LYS 162 Ca 0.34 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3a2w h LYS 162 Cb -0.12 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 3a2w h LYS 162 CO -0.08 0.96 0.02 -0.07 -0.57 0.00 0.00 179.45 179.71 3a2w h LEU 163 N 0.62 0.12 -1.10 2.94 3.38 -0.24 -1.74 115.31 119.30 3a2w h LEU 163 Ca 0.06 -0.24 0.07 0.00 0.09 0.00 0.00 57.88 57.87 3a2w h LEU 163 Cb 0.86 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.52 3a2w h LEU 163 CO 0.08 0.32 0.61 1.23 0.09 0.00 0.00 178.44 180.77 3a2w h GLY 164 N -0.09 1.41 0.78 0.83 0.00 -0.65 0.07 103.07 105.43 3a2w h GLY 164 Ca 0.02 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 3a2w h GLY 164 CO 0.00 0.29 -0.03 -0.55 0.00 0.00 0.00 176.54 176.25 3a2w h ASP 165 N 1.06 -0.07 0.51 0.19 3.32 -1.09 0.16 116.42 120.49 3a2w h ASP 165 Ca 0.42 -0.20 -0.13 0.00 0.02 0.00 0.00 57.03 57.14 3a2w h ASP 165 Cb 0.25 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 3a2w h ASP 165 CO -0.17 0.16 -0.58 0.77 -1.72 0.00 0.00 179.24 177.70 3a2w h SER 166 N -0.31 0.08 -0.01 6.45 4.64 -1.00 -3.22 113.55 120.18 3a2w h SER 166 Ca -0.01 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3a2w h SER 166 Cb 0.27 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3a2w h SER 166 CO 0.01 0.64 -0.54 0.18 -0.87 0.00 0.00 176.83 176.25 3a2w n LEU 167 N -3.86 1.88 -3.52 5.97 7.99 -0.02 -4.98 117.00 120.46 3a2w n LEU 167 Ca -0.02 -0.72 -0.21 0.00 -0.01 0.00 0.00 56.01 55.05 3a2w n LEU 167 Cb 0.59 0.00 0.06 0.00 -0.11 0.00 0.00 43.42 43.95 3a2w n LEU 167 CO 0.42 0.36 -0.01 1.17 -1.51 0.00 0.00 177.39 177.82 3a2w n LYS 168 N -0.22 -3.69 -4.12 3.23 4.81 0.50 -5.00 118.16 113.67 3a2w n LYS 168 Ca 0.08 0.70 -0.12 0.00 -0.87 0.00 0.00 58.31 58.11 3a2w n LYS 168 Cb 0.44 -5.28 -0.11 0.00 0.02 0.00 0.00 35.03 30.11 3a2w n LYS 168 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3a2w s ARG 169 N -5.40 0.69 0.07 1.64 1.81 -0.81 -4.54 118.95 112.41 3a2w s ARG 169 Ca 0.23 -1.08 -0.00 0.00 -1.72 0.00 0.00 55.73 53.16 3a2w s ARG 169 Cb -0.05 -0.23 -0.04 0.00 -0.45 0.00 0.00 34.95 34.18 3a2w s ARG 169 CO 0.79 0.01 0.22 0.00 -0.68 0.00 0.00 175.30 175.64 3a2w s ALA 170 N -2.64 4.00 -0.25 2.13 0.00 0.19 -4.30 121.76 120.87 3a2w s ALA 170 Ca 0.02 -0.84 -0.09 0.00 0.00 0.00 0.00 51.96 51.05 3a2w s ALA 170 Cb -0.01 -1.84 -0.04 0.00 0.00 0.00 0.00 23.12 21.22 3a2w s ALA 170 CO -0.03 0.80 0.12 0.08 0.00 0.00 0.00 175.76 176.74 3a2w s VAL 171 N -1.53 4.85 0.76 0.00 1.01 -1.26 -0.74 120.40 123.48 3a2w s VAL 171 Ca 0.35 0.01 -0.12 0.00 0.00 0.00 0.00 61.98 62.22 3a2w s VAL 171 Cb -0.13 -3.28 0.05 0.00 0.00 0.00 0.00 36.38 33.03 3a2w s VAL 171 CO 0.28 0.32 1.12 -2.16 0.00 0.00 0.00 175.10 174.66 3a2w s PRO 172 N 1.47 2.18 0.18 2.72 0.04 -1.26 -4.93 135.00 135.40 3a2w s PRO 172 Ca 0.06 1.37 -0.33 0.00 0.04 0.00 0.00 61.00 62.15 3a2w s PRO 172 Cb -0.15 -1.87 -0.15 0.00 0.04 0.00 0.00 34.50 32.37 3a2w s PRO 172 CO 0.06 -1.73 1.32 0.00 0.04 0.00 0.00 177.00 176.70 3a2w n ALA 173 N -3.23 0.13 -1.08 8.56 0.00 -1.26 -2.03 120.51 121.60 3a2w n ALA 173 Ca 0.10 0.45 -0.03 0.00 0.00 0.00 0.00 53.44 53.97 3a2w n ALA 173 Cb 0.52 -2.16 -0.01 0.00 0.00 0.00 0.00 19.45 17.80 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 2.31 -4.46 -4.64 0.00 8.00 -1.26 -4.15 116.55 112.35 3a2w n ASP 174 Ca 0.14 0.07 -0.41 0.00 0.71 0.00 0.00 54.79 55.30 3a2w n ASP 174 Cb 0.27 -2.20 0.01 0.00 -0.02 0.00 0.00 41.12 39.18 3a2w n ASP 174 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 3a2w n TRP 175 N -2.55 1.46 0.40 1.24 -0.00 -0.86 -1.00 117.44 116.13 3a2w n TRP 175 Ca -0.03 0.54 0.01 0.00 -0.00 0.00 0.00 57.50 58.03 3a2w n TRP 175 Cb 0.28 -2.27 0.12 0.00 -0.00 0.00 0.00 31.31 29.44 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 0.10 2.15 -2.05 5.87 -0.04 -1.26 -4.91 135.00 134.86 3a2w n PRO 176 Ca 0.09 -0.98 -0.26 0.00 -0.04 0.00 0.00 63.50 62.32 3a2w n PRO 176 Cb 0.39 -1.71 0.02 0.00 -0.04 0.00 0.00 33.50 32.16 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 5.13 -4.72 3.54 3.02 -0.17 -3.29 115.26 118.94 3a2w n ASN 177 Ca 0.09 -3.75 -0.42 0.00 -0.03 0.00 0.00 54.58 50.48 3a2w n ASN 177 Cb 0.57 -0.42 -0.03 0.00 -0.61 0.00 0.00 39.78 39.30 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 -3.43 6.72 0.63 6.41 3.84 0.75 -4.85 114.94 125.02 3a2w s ASN 178 Ca 0.51 2.47 0.37 0.00 0.21 0.00 0.00 52.86 56.43 3a2w s ASN 178 Cb 0.42 -2.59 2.11 0.00 -0.55 0.00 0.00 41.25 40.63 3a2w s ASN 178 CO -0.01 -0.72 2.30 -0.33 -2.79 0.00 0.00 177.10 175.55 3a2w h GLU 179 N 6.62 0.00 0.00 0.43 3.07 -1.86 0.68 114.58 123.52 3a2w h GLU 179 Ca -0.43 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.20 3a2w h GLU 179 Cb 1.21 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.08 3a2w h GLU 179 CO 0.88 0.00 -1.49 -0.89 -1.40 0.00 0.00 179.01 176.11 3a2w n ILE 180 N -3.45 1.51 -0.70 3.13 5.41 -1.26 -4.69 119.36 119.30 3a2w n ILE 180 Ca -0.03 -0.07 0.07 0.00 1.00 0.00 0.00 62.75 63.72 3a2w n ILE 180 Cb 0.10 -2.10 0.12 0.00 -0.71 0.00 0.00 39.64 37.05 3a2w n ILE 180 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 3a2w n ILE 181 N -4.41 1.65 0.00 1.39 -5.35 -1.23 -5.07 119.36 106.33 3a2w n ILE 181 Ca -0.32 -1.77 0.00 0.00 -0.27 0.00 0.00 62.75 60.39 3a2w n ILE 181 Cb 0.65 0.01 0.00 0.00 -1.74 0.00 0.00 39.64 38.56 3a2w n ILE 181 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a2w n GLY 182 N -0.88 0.96 0.90 3.28 0.00 0.24 -1.20 105.19 108.49 3a2w n GLY 182 Ca 0.12 0.54 0.08 0.00 0.00 0.00 0.00 46.02 46.76 3a2w n GLY 182 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3a2w n GLU 183 N 0.00 2.74 -1.18 1.61 0.00 -1.21 -0.17 120.64 122.43 3a2w n GLU 183 Ca 0.00 -2.25 -0.31 0.00 0.00 0.00 0.00 57.16 54.61 3a2w n GLU 183 Cb 0.00 -1.38 0.12 0.00 0.00 0.00 0.00 31.44 30.18 3a2w n GLU 183 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 3a2w s GLY 184 N -1.02 1.65 0.02 8.31 0.00 -0.34 -4.85 107.32 111.10 3a2w s GLY 184 Ca 0.32 0.17 0.08 0.00 0.00 0.00 0.00 44.72 45.30 3a2w s GLY 184 CO 0.22 0.58 -0.25 1.08 0.00 0.00 0.00 173.10 174.73 3a2w s LEU 185 N -6.10 2.17 0.07 0.66 1.43 0.01 -4.63 118.68 112.29 3a2w s LEU 185 Ca 0.62 -0.52 -0.24 0.00 -1.03 0.00 0.00 54.13 52.97 3a2w s LEU 185 Cb -0.18 -1.33 -0.06 0.00 0.03 0.00 0.00 46.19 44.65 3a2w s LEU 185 CO 0.57 0.29 0.71 -0.63 0.23 0.00 0.00 176.35 177.51 3a2w s ILE 186 N -0.74 4.67 -0.06 -0.59 1.01 0.08 -2.20 121.20 123.38 3a2w s ILE 186 Ca 0.11 1.53 -0.25 0.00 0.00 0.00 0.00 60.65 62.04 3a2w s ILE 186 Cb -0.10 -4.06 -0.03 0.00 0.01 0.00 0.00 42.46 38.28 3a2w s ILE 186 CO 0.01 0.44 0.77 -0.69 0.00 0.00 0.00 174.94 175.47 3a2w s VAL 187 N -0.48 5.00 -0.07 2.92 1.01 -0.62 0.53 120.40 128.68 3a2w s VAL 187 Ca 0.35 1.59 -0.37 0.00 0.00 0.00 0.00 61.98 63.55 3a2w s VAL 187 Cb -0.21 -4.11 -0.15 0.00 0.00 0.00 0.00 36.38 31.91 3a2w s VAL 187 CO 0.22 0.22 1.60 -2.65 0.00 0.00 0.00 175.10 174.48 3a2w n PRO 188 N 3.91 1.39 -1.87 2.72 -0.02 -1.26 -4.61 135.00 135.26 3a2w n PRO 188 Ca 0.01 0.51 -0.37 0.00 -2.02 0.00 0.00 63.50 61.63 3a2w n PRO 188 Cb 0.51 -2.21 0.05 0.00 -0.02 0.00 0.00 33.50 31.84 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 2.22 2.78 0.61 0.52 0.04 -1.26 -4.99 135.00 134.91 3a2w s PRO 189 Ca 0.90 1.96 -0.16 0.00 0.04 0.00 0.00 61.00 63.74 3a2w s PRO 189 Cb -0.94 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 31.67 3a2w s PRO 189 CO 0.54 -1.39 1.10 -1.25 0.04 0.00 0.00 177.00 176.04 3a2w s PRO 190 N -3.33 3.07 0.00 0.56 0.04 -1.26 -4.97 135.00 129.11 3a2w s PRO 190 Ca 0.80 1.40 0.04 0.00 0.04 0.00 0.00 61.00 63.27 3a2w s PRO 190 Cb -0.34 -1.99 0.09 0.00 0.04 0.00 0.00 34.50 32.30 3a2w s PRO 190 CO 0.37 -1.04 1.02 0.25 0.04 0.00 0.00 177.00 177.64 3a2w n THR 191 N -2.04 0.86 -4.11 1.26 -2.24 -1.26 -4.88 114.28 101.87 3a2w n THR 191 Ca 0.10 -0.93 -0.08 0.00 -2.27 0.00 0.00 64.05 60.87 3a2w n THR 191 Cb 0.52 0.58 -0.10 0.00 -2.10 0.00 0.00 70.33 69.23 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 -0.91 0.23 0.15 4.28 -4.23 -1.26 -5.05 115.64 108.85 3a2w s THR 192 Ca 0.07 -1.84 -0.16 0.00 -1.18 0.00 0.00 61.69 58.58 3a2w s THR 192 Cb 0.04 -1.65 0.01 0.00 1.34 0.00 0.00 72.50 72.25 3a2w s THR 192 CO 0.05 -0.88 1.77 -0.33 -0.54 0.00 0.00 174.62 174.69 3a2w h GLU 193 N 3.08 0.32 -0.37 3.99 5.08 -1.98 -0.23 114.58 124.47 3a2w h GLU 193 Ca -0.34 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 3a2w h GLU 193 Cb 1.15 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 3a2w h GLU 193 CO 0.64 0.21 0.23 -0.44 -1.00 0.00 0.00 179.01 178.66 3a2w h ASP 194 N 0.33 0.43 -0.80 1.42 3.45 -1.99 -0.09 116.42 119.16 3a2w h ASP 194 Ca 0.16 -0.03 -0.02 0.00 0.43 0.00 0.00 57.03 57.56 3a2w h ASP 194 Cb 0.09 -0.11 -0.04 0.00 -0.56 0.00 0.00 39.33 38.72 3a2w h ASP 194 CO -0.13 0.33 0.42 1.56 -1.57 0.00 0.00 179.24 179.85 3a2w h GLN 195 N 0.49 1.14 -0.65 3.56 4.20 -1.92 -0.60 115.11 121.34 3a2w h GLN 195 Ca 0.13 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 3a2w h GLN 195 Cb -0.03 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.50 3a2w h GLN 195 CO -0.03 0.85 0.32 0.00 -0.67 0.00 0.00 178.83 179.31 3a2w h ALA 196 N 1.32 0.83 -0.38 3.87 0.00 -0.39 -1.01 119.26 123.51 3a2w h ALA 196 Ca 0.28 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 3a2w h ALA 196 Cb 0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3a2w h ALA 196 CO -0.04 0.38 -0.27 -0.09 0.00 0.00 0.00 179.25 179.23 3a2w h ARG 197 N 0.89 0.85 -0.19 0.00 2.43 -0.54 -2.96 114.38 114.86 3a2w h ARG 197 Ca 0.22 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 3a2w h ARG 197 Cb 0.10 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 3a2w h ARG 197 CO -0.03 1.05 0.12 0.00 -1.51 0.00 0.00 179.97 179.61 3a2w h ALA 198 N 0.78 0.24 -0.16 2.80 0.00 -0.89 -1.98 119.26 120.06 3a2w h ALA 198 Ca 0.07 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.02 3a2w h ALA 198 Cb 0.85 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 3a2w h ALA 198 CO 0.07 -0.28 -0.25 -0.09 0.00 0.00 0.00 179.25 178.70 3a2w h ARG 199 N 0.25 -0.29 -0.37 0.00 9.65 -1.18 -2.25 114.38 120.18 3a2w h ARG 199 Ca 0.07 0.02 0.03 0.00 -1.10 0.00 0.00 59.98 59.00 3a2w h ARG 199 Cb -0.02 0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.59 3a2w h ARG 199 CO -0.01 -0.19 0.18 0.52 2.80 0.00 0.00 179.97 183.26 3a2w h MET 200 N -0.30 0.37 0.00 0.20 2.86 -1.35 -2.47 114.93 114.23 3a2w h MET 200 Ca 0.11 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3a2w h MET 200 Cb 0.47 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.04 3a2w h MET 200 CO -0.33 0.24 0.00 0.39 1.06 0.00 0.00 176.91 178.27 3a2w n GLU 201 N -4.93 0.82 -0.04 1.72 1.02 -0.76 -3.06 120.64 115.41 3a2w n GLU 201 Ca 0.01 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.06 3a2w n GLU 201 Cb 0.09 -1.34 -0.14 0.00 -0.02 0.00 0.00 31.44 30.02 3a2w n GLU 201 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3a2w n SER 202 N -0.84 0.68 -2.15 1.62 3.41 -0.87 -4.94 113.62 110.52 3a2w n SER 202 Ca 0.14 0.32 -0.14 0.00 -0.26 0.00 0.00 58.87 58.92 3a2w n SER 202 Cb 0.06 0.18 -0.02 0.00 -0.26 0.00 0.00 64.21 64.17 3a2w n SER 202 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3a2w n GLY 203 N 1.60 -0.00 0.19 5.00 0.00 -1.17 -4.82 105.19 105.99 3a2w n GLY 203 Ca -0.21 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.90 3a2w n GLY 203 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3a2w h GLN 204 N 0.00 0.00 -4.94 1.61 4.15 -1.89 -3.47 115.11 110.57 3a2w h GLN 204 Ca -0.32 0.00 -0.36 0.00 0.77 0.00 0.00 58.65 58.74 3a2w h GLN 204 Cb 1.15 0.00 -0.14 0.00 0.21 0.00 0.00 27.48 28.70 3a2w h GLN 204 CO 0.40 0.16 -0.62 0.71 -1.93 0.00 0.00 178.83 177.55 3a2w s TYR 205 N -3.13 1.58 -0.01 3.99 1.51 -1.26 -5.07 117.35 114.96 3a2w s TYR 205 Ca 0.06 -1.13 -0.29 0.00 -1.01 0.00 0.00 57.07 54.70 3a2w s TYR 205 Cb 0.06 -0.94 -0.03 0.00 -0.11 0.00 0.00 41.96 40.94 3a2w s TYR 205 CO 0.70 -0.27 0.92 1.03 -1.11 0.00 0.00 175.55 176.82 3a2w s ARG 206 N -4.00 4.54 0.00 -0.62 0.52 -1.14 -4.92 118.95 113.33 3a2w s ARG 206 Ca 0.37 1.31 0.01 0.00 -0.52 0.00 0.00 55.73 56.90 3a2w s ARG 206 Cb 0.08 -3.45 -0.01 0.00 0.52 0.00 0.00 34.95 32.09 3a2w s ARG 206 CO 0.13 -0.01 -0.05 0.00 0.02 0.00 0.00 175.30 175.39 3a2w n LEU 208 N 2.70 0.48 -3.77 0.00 4.32 0.36 -4.99 117.00 116.09 3a2w n LEU 208 Ca -0.15 0.15 0.00 0.00 -0.02 0.00 0.00 56.01 56.00 3a2w n LEU 208 Cb 0.58 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.34 3a2w n LEU 208 CO 0.25 -0.08 0.96 -0.62 -1.22 0.00 0.00 177.39 176.67 3a2w s ASP 209 N -4.85 -0.05 0.52 -1.43 -1.08 -1.24 -4.98 116.67 103.57 3a2w s ASP 209 Ca -0.03 -0.30 0.22 0.00 -0.52 0.00 0.00 52.55 51.92 3a2w s ASP 209 Cb 0.12 0.28 1.42 0.00 -1.46 0.00 0.00 42.92 43.28 3a2w s ASP 209 CO 0.84 -0.54 2.13 4.11 0.52 0.00 0.00 175.17 182.23 3a2w h TRP 210 N 2.00 0.00 -0.29 -5.34 5.08 -1.94 -2.08 115.95 113.37 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 1.21 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.37 3a2w h TRP 210 CO 0.76 0.07 0.00 -2.67 -1.28 0.00 0.00 178.44 175.32 3a2w n TRP 211 N -4.07 0.38 -3.47 0.12 4.27 -1.26 -4.53 117.44 108.88 3a2w n TRP 211 Ca -0.03 -0.19 -0.28 0.00 -3.89 0.00 0.00 57.50 53.11 3a2w n TRP 211 Cb 0.16 0.00 -0.11 0.00 -1.36 0.00 0.00 31.31 29.99 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 -1.62 1.06 0.20 -2.67 5.99 -0.78 -4.67 117.98 115.47 3a2w s PHE 212 Ca 0.35 -2.03 0.10 0.00 0.00 0.00 0.00 56.93 55.35 3a2w s PHE 212 Cb 0.19 -1.05 -0.04 0.00 0.00 0.00 0.00 43.02 42.12 3a2w s PHE 212 CO 0.28 -0.82 -0.20 0.00 -0.00 0.00 0.00 175.22 174.48 3a2w s TRP 214 N -2.08 -0.31 0.00 0.00 1.48 -0.58 -1.60 118.94 115.86 3a2w s TRP 214 Ca 0.20 0.03 0.00 0.00 -1.06 0.00 0.00 56.10 55.27 3a2w s TRP 214 Cb -0.06 0.61 0.00 0.00 -1.16 0.00 0.00 33.47 32.86 3a2w s TRP 214 CO 0.09 -0.87 0.00 -0.40 -4.06 0.00 0.00 176.95 171.71 3a2w n ASP 215 N -0.39 0.00 -3.25 -2.66 3.85 -0.94 -2.87 116.55 110.30 3a2w n ASP 215 Ca -0.09 -0.34 -0.25 0.00 -0.71 0.00 0.00 54.79 53.40 3a2w n ASP 215 Cb 0.62 0.00 -0.07 0.00 -1.35 0.00 0.00 41.12 40.31 3a2w n ASP 215 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 3a2w n THR 216 N 0.00 -0.30 1.34 2.12 -2.24 -1.26 -0.81 114.28 113.13 3a2w n THR 216 Ca 0.00 -4.13 0.14 0.00 -2.27 0.00 0.00 64.05 57.79 3a2w n THR 216 Cb 0.00 -1.95 0.59 0.00 -2.10 0.00 0.00 70.33 66.87 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 1.47 0.56 -2.49 -0.78 -0.04 -1.26 -4.88 135.00 127.58 3a2w n PRO 217 Ca 0.23 -0.18 -0.40 0.00 -0.04 0.00 0.00 63.50 63.11 3a2w n PRO 217 Cb 0.51 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.43 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 -2.56 3.34 0.58 0.55 0.00 -1.26 -5.02 121.76 117.39 3a2w s ALA 218 Ca 0.26 0.86 -0.15 0.00 0.00 0.00 0.00 51.96 52.93 3a2w s ALA 218 Cb 0.20 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.96 3a2w s ALA 218 CO 0.50 -0.17 1.03 -1.54 0.00 0.00 0.00 175.76 175.58 3a2w s SER 219 N -1.02 6.04 0.41 0.00 1.04 -1.26 -4.86 113.70 114.06 3a2w s SER 219 Ca 0.47 1.69 0.15 0.00 0.48 0.00 0.00 55.95 58.74 3a2w s SER 219 Cb -0.30 -2.52 1.01 0.00 0.10 0.00 0.00 66.02 64.31 3a2w s SER 219 CO 0.38 -0.99 1.90 -0.09 0.98 0.00 0.00 173.24 175.43 3a2w h ARG 220 N 0.43 0.46 -0.24 4.02 2.43 -1.98 0.12 114.38 119.61 3a2w h ARG 220 Ca -0.46 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.67 3a2w h ARG 220 Cb 1.21 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 3a2w h ARG 220 CO 0.59 0.30 0.09 -0.44 -1.51 0.00 0.00 179.97 179.00 3a2w h ASP 221 N 0.47 0.33 0.10 -3.80 3.32 -1.98 0.23 116.42 115.09 3a2w h ASP 221 Ca 0.40 -0.17 0.02 0.00 0.02 0.00 0.00 57.03 57.30 3a2w h ASP 221 Cb 0.86 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.29 3a2w h ASP 221 CO -0.14 0.41 -0.28 0.44 -1.72 0.00 0.00 179.24 177.95 3a2w h ASP 222 N 0.24 -0.81 -0.15 6.45 3.32 -1.37 -0.57 116.42 123.53 3a2w h ASP 222 Ca 0.08 0.10 0.03 0.00 0.02 0.00 0.00 57.03 57.25 3a2w h ASP 222 Cb 0.18 0.31 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 3a2w h ASP 222 CO -0.01 -0.37 -0.01 0.58 -1.72 0.00 0.00 179.24 177.72 3a2w h VAL 223 N -0.48 0.89 -0.32 -1.35 2.07 -1.22 -2.23 116.25 113.60 3a2w h VAL 223 Ca 0.04 -0.01 -0.09 0.00 0.82 0.00 0.00 66.70 67.45 3a2w h VAL 223 Cb 0.52 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 3a2w h VAL 223 CO -0.18 0.01 -0.18 -0.33 0.02 0.00 0.00 177.57 176.91 3a2w h GLU 224 N 0.04 0.59 -0.19 1.57 5.08 -0.76 -1.17 114.58 119.74 3a2w h GLU 224 Ca 0.07 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.17 3a2w h GLU 224 Cb 0.09 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3a2w h GLU 224 CO -0.13 0.75 -0.09 0.93 -1.00 0.00 0.00 179.01 179.47 3a2w h GLU 225 N 0.53 0.40 -0.98 2.33 4.39 -1.02 0.48 114.58 120.72 3a2w h GLU 225 Ca 0.09 -0.17 0.08 0.00 0.34 0.00 0.00 59.36 59.70 3a2w h GLU 225 Cb 0.61 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.18 3a2w h GLU 225 CO 0.04 0.69 0.62 0.00 -1.16 0.00 0.00 179.01 179.21 3a2w h ALA 226 N 0.70 1.40 -0.26 3.43 0.00 -1.26 -1.43 119.26 121.83 3a2w h ALA 226 Ca 0.04 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 3a2w h ALA 226 Cb 0.57 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3a2w h ALA 226 CO 0.03 0.35 -0.47 -0.09 0.00 0.00 0.00 179.25 179.06 3a2w h ARG 227 N 1.09 0.70 -0.99 0.00 2.43 -1.01 -2.95 114.38 113.65 3a2w h ARG 227 Ca 0.44 -0.40 0.11 0.00 -0.81 0.00 0.00 59.98 59.33 3a2w h ARG 227 Cb 0.27 0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 29.77 3a2w h ARG 227 CO -0.20 1.02 0.62 -0.09 -1.51 0.00 0.00 179.97 179.81 3a2w h ARG 228 N 0.56 0.96 -0.15 0.20 2.43 0.17 -0.61 114.38 117.94 3a2w h ARG 228 Ca 0.03 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.18 3a2w h ARG 228 Cb 1.03 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 30.32 3a2w h ARG 228 CO 0.10 0.64 -0.11 1.88 -1.51 0.00 0.00 179.97 180.96 3a2w h TYR 229 N 0.99 -0.27 -0.52 2.20 0.99 -1.25 -1.00 116.97 118.12 3a2w h TYR 229 Ca 0.48 0.02 -0.07 0.00 2.00 0.00 0.00 58.73 61.16 3a2w h TYR 229 Cb 0.45 0.14 -0.02 0.00 1.00 0.00 0.00 36.73 38.31 3a2w h TYR 229 CO -0.01 -0.17 0.04 -0.07 -0.00 0.00 0.00 178.16 177.95 3a2w h LEU 230 N -0.12 0.86 -0.59 3.88 3.38 -1.39 -2.26 115.31 119.07 3a2w h LEU 230 Ca 0.09 -0.29 0.07 0.00 0.09 0.00 0.00 57.88 57.85 3a2w h LEU 230 Cb 0.25 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 3a2w h LEU 230 CO -0.22 0.93 0.28 -0.09 0.09 0.00 0.00 178.44 179.43 3a2w h ARG 231 N 0.76 0.50 -0.25 1.13 2.43 -0.82 -0.27 114.38 117.86 3a2w h ARG 231 Ca 0.15 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3a2w h ARG 231 Cb 0.47 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 3a2w h ARG 231 CO 0.02 0.33 0.14 -0.09 -1.51 0.00 0.00 179.97 178.86 3a2w h ARG 232 N 0.51 0.34 -0.39 0.20 2.43 -0.97 -0.24 114.38 116.26 3a2w h ARG 232 Ca 0.28 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.42 3a2w h ARG 232 Cb 0.25 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 3a2w h ARG 232 CO -0.22 0.28 0.26 0.00 -1.51 0.00 0.00 179.97 178.78 3a2w h ALA 233 N 1.04 1.75 0.00 2.80 0.00 -0.80 -1.95 119.26 122.10 3a2w h ALA 233 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3a2w h ALA 233 Cb 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3a2w h ALA 233 CO -0.02 0.22 -0.41 0.00 0.00 0.00 0.00 179.25 179.05 3a2w h ALA 234 N 1.76 0.74 -2.69 0.00 0.00 -0.60 -3.47 119.26 115.00 3a2w h ALA 234 Ca 0.15 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.55 3a2w h ALA 234 Cb -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3a2w h ALA 234 CO -0.03 0.00 0.44 -2.00 0.00 0.00 0.00 179.25 177.66 3a2w s GLU 235 N -3.16 4.65 -0.17 0.00 2.12 -0.14 -5.01 118.70 116.99 3a2w s GLU 235 Ca 0.07 1.67 -0.27 0.00 0.36 0.00 0.00 54.97 56.79 3a2w s GLU 235 Cb 0.12 -3.27 -0.01 0.00 0.26 0.00 0.00 34.13 31.23 3a2w s GLU 235 CO 0.68 0.18 0.94 0.21 -0.54 0.00 0.00 175.26 176.73 3a2w s LYS 236 N -0.63 4.31 0.13 4.30 2.36 -1.26 -4.97 119.74 123.98 3a2w s LYS 236 Ca 0.47 1.21 -0.30 0.00 -2.55 0.00 0.00 55.97 54.80 3a2w s LYS 236 Cb -0.29 -3.59 -0.17 0.00 -1.05 0.00 0.00 37.83 32.74 3a2w s LYS 236 CO 0.35 -0.42 0.66 -2.30 1.55 0.00 0.00 175.35 175.18 3a2w n PRO 237 N 5.53 0.00 0.23 4.03 -0.02 -1.26 -4.93 135.00 138.58 3a2w n PRO 237 Ca 0.08 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.46 3a2w n PRO 237 Cb 0.48 -1.09 -0.05 0.00 -0.02 0.00 0.00 33.50 32.82 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 1.56 -0.70 -3.62 3.55 0.00 -2.03 -3.45 119.26 114.57 3a2w h ALA 238 Ca -0.33 -0.14 -0.43 0.00 0.00 0.00 0.00 54.91 54.01 3a2w h ALA 238 Cb 1.35 0.25 -0.32 0.00 0.00 0.00 0.00 17.79 19.06 3a2w h ALA 238 CO 0.56 -0.65 -0.78 0.21 0.00 0.00 0.00 179.25 178.59 3a2w s LYS 239 N -3.69 0.98 0.34 0.00 2.20 -1.26 -5.14 119.74 113.18 3a2w s LYS 239 Ca -0.09 -0.23 -0.26 0.00 -0.36 0.00 0.00 55.97 55.02 3a2w s LYS 239 Cb 0.01 -0.91 -0.09 0.00 -1.51 0.00 0.00 37.83 35.33 3a2w s LYS 239 CO 0.28 0.02 1.04 -0.51 -0.36 0.00 0.00 175.35 175.83 3a2w s LEU 240 N 0.53 4.32 0.16 5.43 1.43 -1.26 -4.95 118.68 124.33 3a2w s LEU 240 Ca -0.08 2.08 0.24 0.00 -1.03 0.00 0.00 54.13 55.33 3a2w s LEU 240 Cb -0.12 -3.96 0.91 0.00 0.03 0.00 0.00 46.19 43.06 3a2w s LEU 240 CO 0.01 -0.29 1.73 0.18 0.23 0.00 0.00 176.35 178.21 3a2w n LEU 241 N 0.49 0.50 0.09 1.79 4.77 -1.26 -3.19 117.00 120.19 3a2w n LEU 241 Ca 0.02 0.58 -0.04 0.00 -0.03 0.00 0.00 56.01 56.55 3a2w n LEU 241 Cb 0.48 -0.47 -0.05 0.00 -2.33 0.00 0.00 43.42 41.06 3a2w n LEU 241 CO 0.48 -0.29 0.27 0.10 -1.33 0.00 0.00 177.39 176.62 3a2w h TYR 242 N 0.00 0.00 -0.24 -1.77 -0.00 -1.95 -3.30 116.97 109.72 3a2w h TYR 242 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 58.73 58.80 3a2w h TYR 242 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.21 3a2w h TYR 242 CO 0.00 0.82 0.19 0.93 -0.00 0.00 0.00 178.16 180.10 3a2w h GLU 243 N 0.00 0.00 -0.54 0.10 5.08 -1.96 -2.38 114.58 114.88 3a2w h GLU 243 Ca -0.01 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.97 3a2w h GLU 243 Cb 1.60 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 30.47 3a2w h GLU 243 CO 0.11 0.00 -0.89 -0.85 -1.00 0.00 0.00 179.01 176.37 3a2w n GLU 244 N -4.28 2.65 0.00 2.33 -0.00 -1.25 -5.15 120.64 114.92 3a2w n GLU 244 Ca 0.03 -3.77 0.08 0.00 -0.00 0.00 0.00 57.16 53.50 3a2w n GLU 244 Cb 0.33 -1.89 0.06 0.00 -0.00 0.00 0.00 31.44 29.95 3a2w n GLU 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13