#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u8w s GLU 2 N 0.00 1.43 0.26 0.03 -1.05 -1.24 -4.59 118.70 113.54 1u8w s GLU 2 Ca 0.00 0.12 0.10 0.00 -0.15 0.00 0.00 54.97 55.04 1u8w s GLU 2 Cb 0.00 -1.89 -0.05 0.00 -0.44 0.00 0.00 34.13 31.75 1u8w s GLU 2 CO 0.00 -1.97 -0.16 -0.65 0.95 0.00 0.00 175.26 173.44 1u8w s GLN 3 N -5.49 1.56 0.12 -4.83 -0.21 -1.26 -1.21 119.66 108.33 1u8w s GLN 3 Ca 0.64 -1.73 -0.03 0.00 0.02 0.00 0.00 55.36 54.27 1u8w s GLN 3 Cb -0.12 -1.48 -0.03 0.00 1.00 0.00 0.00 33.01 32.38 1u8w s GLN 3 CO 0.51 0.23 0.08 -0.08 -2.12 0.00 0.00 175.29 173.91 1u8w s THR 4 N -2.73 0.12 -0.25 -0.19 -1.32 -0.33 -4.68 115.64 106.26 1u8w s THR 4 Ca 0.28 -1.77 -0.04 0.00 -1.21 0.00 0.00 61.69 58.94 1u8w s THR 4 Cb -0.02 -1.87 0.01 0.00 -1.51 0.00 0.00 72.50 69.11 1u8w s THR 4 CO 0.12 -0.56 -0.01 0.12 -2.21 0.00 0.00 174.62 172.08 1u8w s PHE 5 N -4.00 3.06 -0.11 9.09 5.36 -1.26 -2.25 117.98 127.86 1u8w s PHE 5 Ca 0.19 -1.21 0.02 0.00 -0.96 0.00 0.00 56.93 54.96 1u8w s PHE 5 Cb 0.07 -2.13 -0.01 0.00 -0.34 0.00 0.00 43.02 40.61 1u8w s PHE 5 CO -0.02 -0.63 -0.18 0.42 -1.46 0.00 0.00 175.22 173.35 1u8w s ILE 6 N 1.42 2.56 -0.09 3.12 1.09 -1.02 -1.58 121.20 126.71 1u8w s ILE 6 Ca 0.02 -0.84 0.02 0.00 -1.10 0.00 0.00 60.65 58.75 1u8w s ILE 6 Cb -0.16 -2.03 0.01 0.00 -1.06 0.00 0.00 42.46 39.22 1u8w s ILE 6 CO -0.02 0.54 -0.13 -0.32 -0.10 0.00 0.00 174.94 174.91 1u8w s MET 7 N 0.34 1.92 -0.39 2.79 1.75 -0.06 -0.82 119.30 124.83 1u8w s MET 7 Ca -0.15 -0.47 -0.24 0.00 -1.25 0.00 0.00 55.69 53.58 1u8w s MET 7 Cb -0.17 -1.63 0.02 0.00 2.84 0.00 0.00 34.83 35.89 1u8w s MET 7 CO 0.07 -0.03 0.83 0.42 -0.65 0.00 0.00 175.02 175.67 1u8w s ILE 8 N 0.87 4.65 0.90 10.11 1.01 -0.58 -0.70 121.20 137.46 1u8w s ILE 8 Ca -0.10 0.84 -0.10 0.00 0.00 0.00 0.00 60.65 61.29 1u8w s ILE 8 Cb -0.15 -4.29 0.14 0.00 0.01 0.00 0.00 42.46 38.17 1u8w s ILE 8 CO 0.01 -0.56 1.14 -0.54 0.00 0.00 0.00 174.94 174.99 1u8w s LYS 9 N 3.30 1.14 0.33 2.79 1.02 0.14 -2.50 119.74 125.97 1u8w s LYS 9 Ca 0.33 1.49 0.11 0.00 0.02 0.00 0.00 55.97 57.92 1u8w s LYS 9 Cb -0.12 -1.75 1.03 0.00 -0.52 0.00 0.00 37.83 36.47 1u8w s LYS 9 CO 0.20 -2.53 1.60 -1.35 -0.92 0.00 0.00 175.35 172.35 1u8w h PRO 10 N -1.79 0.09 -0.24 -1.68 0.11 -1.83 0.30 132.00 126.96 1u8w h PRO 10 Ca -0.43 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.58 1u8w h PRO 10 Cb 1.26 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1u8w h PRO 10 CO 0.43 0.06 -0.22 0.38 -0.21 0.00 0.00 178.00 178.44 1u8w h ASP 11 N 0.09 0.43 -0.59 -2.05 2.03 -1.88 -1.77 116.42 112.68 1u8w h ASP 11 Ca 0.71 -0.13 -0.02 0.00 -0.73 0.00 0.00 57.03 56.85 1u8w h ASP 11 Cb 1.67 -0.12 -0.03 0.00 -0.83 0.00 0.00 39.33 40.02 1u8w h ASP 11 CO -0.77 0.66 0.30 1.23 -1.03 0.00 0.00 179.24 179.64 1u8w h GLY 12 N 0.99 0.93 0.56 7.15 0.00 -0.57 -0.44 103.07 111.68 1u8w h GLY 12 Ca 0.06 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 1u8w h GLY 12 CO 0.04 0.41 -0.08 -2.08 0.00 0.00 0.00 176.54 174.83 1u8w h VAL 13 N 0.87 1.41 -0.42 4.60 2.07 -1.28 -1.15 116.25 122.35 1u8w h VAL 13 Ca 0.22 -1.36 0.05 0.00 0.82 0.00 0.00 66.70 66.43 1u8w h VAL 13 Cb 0.08 2.21 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 1u8w h VAL 13 CO -0.03 0.37 0.28 1.56 0.02 0.00 0.00 177.57 179.78 1u8w h GLN 14 N -0.35 0.34 -0.12 1.57 1.08 -0.96 -1.70 115.11 114.96 1u8w h GLN 14 Ca 0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1u8w h GLN 14 Cb 0.65 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 1u8w h GLN 14 CO 0.02 0.22 0.00 0.54 -0.95 0.00 0.00 178.83 178.66 1u8w n ARG 15 N -4.48 1.69 -3.06 1.46 1.74 -0.21 -4.95 116.66 108.87 1u8w n ARG 15 Ca 0.05 -1.03 -0.13 0.00 -0.77 0.00 0.00 57.85 55.97 1u8w n ARG 15 Cb 0.24 -1.42 0.06 0.00 -1.02 0.00 0.00 32.46 30.32 1u8w n ARG 15 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u8w n GLY 16 N 1.13 -0.10 0.64 -0.13 0.00 -0.64 -4.95 105.19 101.15 1u8w n GLY 16 Ca 0.17 -0.07 0.06 0.00 0.00 0.00 0.00 46.02 46.18 1u8w n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u8w n LEU 17 N -3.27 3.01 -0.02 0.99 4.77 -0.45 -4.71 117.00 117.32 1u8w n LEU 17 Ca -0.14 -2.15 -0.11 0.00 -0.03 0.00 0.00 56.01 53.58 1u8w n LEU 17 Cb 0.59 -0.27 -0.05 0.00 -2.33 0.00 0.00 43.42 41.37 1u8w n LEU 17 CO 0.42 0.71 0.90 0.40 -1.33 0.00 0.00 177.39 178.50 1u8w h ILE 18 N 1.89 1.08 -0.49 -0.08 2.04 -1.90 -2.52 117.51 117.52 1u8w h ILE 18 Ca 0.00 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 1u8w h ILE 18 Cb 0.82 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 1u8w h ILE 18 CO 0.03 0.07 0.22 1.23 0.00 0.00 0.00 178.15 179.70 1u8w h GLY 19 N 0.15 0.78 0.53 5.37 0.00 -1.97 -2.55 103.07 105.38 1u8w h GLY 19 Ca 0.05 -0.40 0.03 0.00 0.00 0.00 0.00 47.33 47.00 1u8w h GLY 19 CO -0.01 0.38 -0.22 0.83 0.00 0.00 0.00 176.54 177.53 1u8w h GLU 20 N 0.66 -0.35 -0.04 4.80 4.39 -1.85 1.00 114.58 123.19 1u8w h GLU 20 Ca 0.17 0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.93 1u8w h GLU 20 Cb 0.15 0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 28.83 1u8w h GLU 20 CO -0.02 -0.23 -0.28 0.28 -1.16 0.00 0.00 179.01 177.60 1u8w h VAL 21 N -0.36 0.37 -0.54 3.13 2.07 -1.42 -1.69 116.25 117.81 1u8w h VAL 21 Ca 0.05 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.62 1u8w h VAL 21 Cb 0.42 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1u8w h VAL 21 CO -0.18 0.00 0.36 0.40 0.02 0.00 0.00 177.57 178.17 1u8w h ILE 22 N -0.40 1.01 -0.50 4.57 2.04 -1.17 -2.31 117.51 120.75 1u8w h ILE 22 Ca 0.07 -0.19 -0.05 0.00 1.00 0.00 0.00 64.86 65.70 1u8w h ILE 22 Cb 0.50 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1u8w h ILE 22 CO -0.27 0.10 0.13 0.00 0.00 0.00 0.00 178.15 178.11 1u8w h ARG 24 N 0.69 0.84 -0.00 0.00 3.08 -0.86 0.10 114.38 118.23 1u8w h ARG 24 Ca 0.16 -0.13 -0.19 0.00 0.07 0.00 0.00 59.98 59.88 1u8w h ARG 24 Cb 0.32 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1u8w h ARG 24 CO 0.00 0.69 -0.85 0.74 -1.07 0.00 0.00 179.97 179.48 1u8w h PHE 25 N 0.83 0.31 -0.22 3.04 0.04 -1.48 -2.15 116.94 117.31 1u8w h PHE 25 Ca 0.20 -0.17 -0.04 0.00 2.80 0.00 0.00 57.97 60.76 1u8w h PHE 25 Cb 0.17 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 1u8w h PHE 25 CO 0.01 0.97 -0.03 0.93 -0.60 0.00 0.00 178.31 179.59 1u8w h GLU 26 N 0.12 0.40 -0.02 1.51 5.08 -0.72 -2.17 114.58 118.78 1u8w h GLU 26 Ca -0.04 -0.15 -0.11 0.00 -1.00 0.00 0.00 59.36 58.07 1u8w h GLU 26 Cb 1.47 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.68 1u8w h GLU 26 CO 0.13 0.63 -0.49 0.87 -1.00 0.00 0.00 179.01 179.15 1u8w h LYS 27 N 0.14 0.05 -0.12 2.33 1.79 -0.84 -2.89 116.57 117.03 1u8w h LYS 27 Ca 0.06 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.47 1u8w h LYS 27 Cb 0.47 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.11 1u8w h LYS 27 CO 0.02 0.53 -0.09 -0.22 -1.08 0.00 0.00 179.45 178.61 1u8w h LYS 28 N 0.04 0.18 0.00 3.15 1.63 -1.33 -3.46 116.57 116.79 1u8w h LYS 28 Ca -0.00 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1u8w h LYS 28 Cb 0.88 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.48 1u8w h LYS 28 CO 0.07 0.28 0.00 0.41 -3.45 0.00 0.00 179.45 176.76 1u8w n GLY 29 N -1.05 1.47 3.86 5.01 0.00 -1.09 -5.11 105.19 108.29 1u8w n GLY 29 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1u8w n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u8w s PHE 30 N -2.00 3.46 -0.22 1.61 0.08 -0.83 -5.00 117.98 115.08 1u8w s PHE 30 Ca 0.00 1.17 -0.08 0.00 0.12 0.00 0.00 56.93 58.14 1u8w s PHE 30 Cb 0.00 -2.54 -0.04 0.00 -0.57 0.00 0.00 43.02 39.87 1u8w s PHE 30 CO 0.00 -0.16 0.08 0.99 -0.10 0.00 0.00 175.22 176.03 1u8w s THR 31 N -2.41 4.66 -0.08 0.64 2.01 -0.91 -4.55 115.64 114.99 1u8w s THR 31 Ca 0.53 -0.07 -0.30 0.00 0.31 0.00 0.00 61.69 62.17 1u8w s THR 31 Cb -0.10 -3.14 -0.02 0.00 0.01 0.00 0.00 72.50 69.24 1u8w s THR 31 CO 0.30 0.39 1.10 -0.22 -0.69 0.00 0.00 174.62 175.50 1u8w s LEU 32 N 0.99 4.26 0.00 4.42 2.96 -1.26 -0.69 118.68 129.36 1u8w s LEU 32 Ca 0.04 1.66 0.00 0.00 -0.22 0.00 0.00 54.13 55.62 1u8w s LEU 32 Cb -0.14 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 42.99 1u8w s LEU 32 CO 0.03 -0.51 0.57 0.29 -1.32 0.00 0.00 176.35 175.41 1u8w n LYS 33 N 5.11 -0.18 -3.64 1.98 4.76 0.13 -4.93 118.16 121.40 1u8w n LYS 33 Ca 0.10 -0.67 -0.06 0.00 -2.87 0.00 0.00 58.31 54.81 1u8w n LYS 33 Cb 0.47 -0.97 -0.07 0.00 -1.84 0.00 0.00 35.03 32.62 1u8w n LYS 33 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1u8w s GLY 34 N -0.19 -0.50 -0.22 0.72 0.00 -1.03 -0.21 107.32 105.89 1u8w s GLY 34 Ca 0.00 2.56 -0.17 0.00 0.00 0.00 0.00 44.72 47.11 1u8w s GLY 34 CO 0.00 2.41 0.57 -2.27 0.00 0.00 0.00 173.10 173.81 1u8w s LEU 35 N 1.51 -0.34 -0.29 0.66 2.96 -1.25 -0.91 118.68 121.01 1u8w s LEU 35 Ca -0.09 1.19 -0.21 0.00 -0.22 0.00 0.00 54.13 54.80 1u8w s LEU 35 Cb -0.05 1.96 0.18 0.00 0.50 0.00 0.00 46.19 48.78 1u8w s LEU 35 CO -0.18 -0.21 1.26 -1.59 -1.32 0.00 0.00 176.35 174.31 1u8w s LYS 36 N 0.78 0.18 -0.20 1.98 -2.85 -0.93 -4.99 119.74 113.70 1u8w s LYS 36 Ca -0.04 0.24 -0.21 0.00 -1.00 0.00 0.00 55.97 54.97 1u8w s LYS 36 Cb -0.05 0.07 -0.02 0.00 -2.06 0.00 0.00 37.83 35.76 1u8w s LYS 36 CO -0.06 -0.03 0.63 -1.17 0.10 0.00 0.00 175.35 174.83 1u8w s LEU 37 N 0.52 4.14 0.01 2.77 1.98 -1.26 -1.62 118.68 125.21 1u8w s LEU 37 Ca 0.00 0.83 -0.13 0.00 -2.89 0.00 0.00 54.13 51.94 1u8w s LEU 37 Cb -0.04 -2.89 0.02 0.00 0.66 0.00 0.00 46.19 43.94 1u8w s LEU 37 CO -0.12 -0.28 0.27 0.27 -1.89 0.00 0.00 176.35 174.60 1u8w s ILE 38 N 1.95 0.07 -0.34 6.68 -4.36 -0.15 -4.99 121.20 120.07 1u8w s ILE 38 Ca 0.29 -0.59 -0.05 0.00 -0.26 0.00 0.00 60.65 60.04 1u8w s ILE 38 Cb -0.16 -0.69 0.05 0.00 1.25 0.00 0.00 42.46 42.92 1u8w s ILE 38 CO 0.10 -0.32 0.09 -0.94 0.24 0.00 0.00 174.94 174.11 1u8w s SER 39 N -1.56 5.23 0.67 4.36 1.04 -1.26 0.36 113.70 122.54 1u8w s SER 39 Ca -0.11 -1.24 -0.16 0.00 0.48 0.00 0.00 55.95 54.92 1u8w s SER 39 Cb -0.04 -1.84 0.01 0.00 0.10 0.00 0.00 66.02 64.25 1u8w s SER 39 CO 0.02 -0.34 1.17 -0.69 0.98 0.00 0.00 173.24 174.38 1u8w s VAL 40 N 1.35 2.71 0.19 5.02 1.01 -1.26 -5.01 120.40 124.41 1u8w s VAL 40 Ca -0.02 0.36 0.09 0.00 0.00 0.00 0.00 61.98 62.42 1u8w s VAL 40 Cb -0.20 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 1u8w s VAL 40 CO 0.01 -0.17 -0.08 -0.70 0.00 0.00 0.00 175.10 174.17 1u8w s GLU 41 N -3.82 2.11 0.01 2.72 2.12 -1.26 -4.72 118.70 115.86 1u8w s GLU 41 Ca 0.73 -1.27 -0.01 0.00 0.36 0.00 0.00 54.97 54.77 1u8w s GLU 41 Cb -0.26 -2.17 -0.00 0.00 0.26 0.00 0.00 34.13 31.95 1u8w s GLU 41 CO 0.41 0.43 0.49 0.54 -0.54 0.00 0.00 175.26 176.59 1u8w n ARG 42 N -0.08 -0.02 -0.16 4.30 5.12 -1.26 -1.77 116.66 122.80 1u8w n ARG 42 Ca -0.10 0.49 -0.03 0.00 -1.93 0.00 0.00 57.85 56.28 1u8w n ARG 42 Cb 0.56 -0.74 0.06 0.00 -1.16 0.00 0.00 32.46 31.18 1u8w n ARG 42 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1u8w h SER 43 N 0.00 0.13 -0.74 0.55 4.64 -1.99 -1.58 113.55 114.55 1u8w h SER 43 Ca 0.01 0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 1u8w h SER 43 Cb 0.01 0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 62.13 1u8w h SER 43 CO -0.03 0.10 0.41 0.15 -0.87 0.00 0.00 176.83 176.58 1u8w h PHE 44 N 0.31 1.02 -0.62 4.77 3.57 -1.82 -2.27 116.94 121.90 1u8w h PHE 44 Ca 0.24 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 1u8w h PHE 44 Cb 0.27 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 1u8w h PHE 44 CO -0.18 0.71 0.21 0.00 -2.23 0.00 0.00 178.31 176.82 1u8w h ALA 45 N 1.40 0.81 0.00 2.41 0.00 -0.74 -0.89 119.26 122.26 1u8w h ALA 45 Ca 0.27 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1u8w h ALA 45 Cb 0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1u8w h ALA 45 CO -0.04 0.46 -0.16 0.93 0.00 0.00 0.00 179.25 180.44 1u8w h GLU 46 N 0.88 0.00 0.00 0.00 5.08 -0.88 -0.83 114.58 118.83 1u8w h GLU 46 Ca 0.20 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.40 1u8w h GLU 46 Cb 0.26 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1u8w h GLU 46 CO -0.01 0.16 -0.88 -0.22 -1.00 0.00 0.00 179.01 177.06 1u8w h LYS 47 N 0.00 0.00 -0.08 2.33 3.64 -0.84 0.39 116.57 122.02 1u8w h LYS 47 Ca -0.00 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 1u8w h LYS 47 Cb 0.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1u8w h LYS 47 CO 0.02 0.60 -0.30 1.25 -2.27 0.00 0.00 179.45 178.75 1u8w h HIS 48 N 0.00 0.45 -0.17 1.91 2.76 -0.24 -3.11 115.15 116.75 1u8w h HIS 48 Ca -0.05 -0.19 0.00 0.00 -2.20 0.00 0.00 60.37 57.93 1u8w h HIS 48 Cb 1.57 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 30.46 1u8w h HIS 48 CO 0.00 0.91 0.00 0.66 -1.30 0.00 0.00 177.93 178.20 1u8w n TYR 49 N -4.44 0.21 -0.34 5.26 4.01 -0.41 -4.49 117.16 116.96 1u8w n TYR 49 Ca -0.08 -0.11 0.29 0.00 -0.16 0.00 0.00 57.90 57.84 1u8w n TYR 49 Cb 0.49 0.00 0.48 0.00 -0.31 0.00 0.00 39.34 40.00 1u8w n TYR 49 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1u8w n GLU 50 N 0.37 -0.02 0.00 -0.72 2.13 0.13 0.16 120.64 122.69 1u8w n GLU 50 Ca 0.16 0.88 0.07 0.00 0.66 0.00 0.00 57.16 58.94 1u8w n GLU 50 Cb 0.34 -1.75 0.44 0.00 0.27 0.00 0.00 31.44 30.74 1u8w n GLU 50 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1u8w n ASP 51 N -4.06 0.00 -0.92 4.31 2.03 -1.26 -2.53 116.55 114.12 1u8w n ASP 51 Ca 0.29 -0.52 0.04 0.00 0.52 0.00 0.00 54.79 55.12 1u8w n ASP 51 Cb 1.13 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 41.60 1u8w n ASP 51 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1u8w n LEU 52 N -0.97 1.34 0.18 -2.67 4.77 0.42 -4.82 117.00 115.25 1u8w n LEU 52 Ca 0.11 -2.35 0.14 0.00 -0.03 0.00 0.00 56.01 53.88 1u8w n LEU 52 Cb 0.05 -0.17 0.72 0.00 -2.33 0.00 0.00 43.42 41.69 1u8w n LEU 52 CO 0.08 0.68 1.12 0.77 -1.33 0.00 0.00 177.39 178.72 1u8w h SER 53 N 0.68 0.00 -2.04 -1.43 4.64 -1.58 -2.83 113.55 110.98 1u8w h SER 53 Ca -0.10 0.00 -0.78 0.00 -0.47 0.00 0.00 61.79 60.44 1u8w h SER 53 Cb 1.48 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.32 1u8w h SER 53 CO 0.04 0.00 1.14 -1.54 -0.87 0.00 0.00 176.83 175.61 1u8w n SER 54 N -4.29 7.44 -3.94 4.97 3.41 -1.26 -4.91 113.62 115.04 1u8w n SER 54 Ca 0.02 -3.66 -0.10 0.00 -0.26 0.00 0.00 58.87 54.87 1u8w n SER 54 Cb 0.28 -1.16 -0.11 0.00 -0.26 0.00 0.00 64.21 62.96 1u8w n SER 54 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1u8w s LYS 55 N -3.89 0.33 0.11 4.33 -0.14 -1.07 -5.06 119.74 114.35 1u8w s LYS 55 Ca 0.45 -0.50 -0.15 0.00 -1.36 0.00 0.00 55.97 54.40 1u8w s LYS 55 Cb 0.26 0.12 -0.05 0.00 -1.68 0.00 0.00 37.83 36.49 1u8w s LYS 55 CO -0.21 -0.06 1.51 0.66 -0.76 0.00 0.00 175.35 176.49 1u8w h SER 56 N 4.68 0.71 -0.01 2.83 4.64 -1.91 -3.08 113.55 121.42 1u8w h SER 56 Ca -0.31 -0.38 0.00 0.00 -0.47 0.00 0.00 61.79 60.63 1u8w h SER 56 Cb 1.21 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1u8w h SER 56 CO 0.42 0.92 0.00 2.22 -0.87 0.00 0.00 176.83 179.51 1u8w n PHE 57 N -4.38 0.01 -0.20 4.77 1.16 -1.26 -3.98 117.46 113.58 1u8w n PHE 57 Ca -0.02 -0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.56 1u8w n PHE 57 Cb 0.36 0.00 0.11 0.00 -1.61 0.00 0.00 39.48 38.34 1u8w n PHE 57 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1u8w h PHE 58 N 0.18 0.34 -0.98 2.97 3.57 -1.78 -0.62 116.94 120.62 1u8w h PHE 58 Ca 0.00 0.03 0.17 0.00 3.53 0.00 0.00 57.97 61.70 1u8w h PHE 58 Cb 0.04 -0.06 -0.09 0.00 2.79 0.00 0.00 35.95 38.63 1u8w h PHE 58 CO 0.00 0.06 0.61 0.66 -2.23 0.00 0.00 178.31 177.42 1u8w h SER 59 N 0.36 0.77 -0.19 0.41 4.64 -1.81 -2.40 113.55 115.33 1u8w h SER 59 Ca 0.31 0.07 -0.18 0.00 -0.47 0.00 0.00 61.79 61.53 1u8w h SER 59 Cb 0.42 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.44 1u8w h SER 59 CO -0.34 0.33 -0.57 1.23 -0.87 0.00 0.00 176.83 176.61 1u8w h GLY 60 N 0.78 0.79 0.30 -0.77 0.00 -1.41 -2.15 103.07 100.62 1u8w h GLY 60 Ca 0.53 -1.03 0.03 0.00 0.00 0.00 0.00 47.33 46.87 1u8w h GLY 60 CO -0.30 0.92 -0.31 1.41 0.00 0.00 0.00 176.54 178.25 1u8w h LEU 61 N 0.43 -0.93 -0.25 3.11 3.38 -0.92 0.34 115.31 120.47 1u8w h LEU 61 Ca -0.02 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.12 1u8w h LEU 61 Cb 1.20 0.38 -0.04 0.00 0.09 0.00 0.00 40.66 42.29 1u8w h LEU 61 CO 0.12 -0.37 0.01 0.58 0.09 0.00 0.00 178.44 178.87 1u8w h VAL 62 N -0.45 0.83 -0.35 1.22 2.07 -1.57 0.11 116.25 118.11 1u8w h VAL 62 Ca 0.07 -0.03 0.08 0.00 0.82 0.00 0.00 66.70 67.63 1u8w h VAL 62 Cb 0.55 0.74 -0.08 0.00 -1.52 0.00 0.00 31.29 30.97 1u8w h VAL 62 CO -0.27 0.02 -0.28 0.44 0.02 0.00 0.00 177.57 177.49 1u8w h ASP 63 N 0.09 -0.93 0.72 0.57 3.32 -0.64 -2.61 116.42 116.94 1u8w h ASP 63 Ca 0.12 0.17 -0.04 0.00 0.02 0.00 0.00 57.03 57.30 1u8w h ASP 63 Cb 0.15 0.44 0.01 0.00 0.22 0.00 0.00 39.33 40.15 1u8w h ASP 63 CO -0.19 -0.30 -0.35 0.22 -1.72 0.00 0.00 179.24 176.90 1u8w h TYR 64 N -0.24 -0.90 0.00 4.55 3.20 0.31 -2.39 116.97 121.49 1u8w h TYR 64 Ca 0.17 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1u8w h TYR 64 Cb 0.51 0.30 0.00 0.00 1.54 0.00 0.00 36.73 39.07 1u8w h TYR 64 CO -0.48 -0.56 0.63 0.97 -1.64 0.00 0.00 178.16 177.08 1u8w h ILE 65 N -1.14 0.00 -0.00 1.81 -0.00 -0.75 0.83 117.51 118.26 1u8w h ILE 65 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.76 1u8w h ILE 65 Cb 0.74 0.26 0.00 0.00 -0.00 0.00 0.00 36.82 37.82 1u8w h ILE 65 CO 0.16 0.00 -0.72 0.52 -0.00 0.00 0.00 178.15 178.11 1u8w n VAL 66 N -2.41 0.00 0.17 2.19 0.31 -0.99 -4.46 118.33 113.14 1u8w n VAL 66 Ca -0.01 -0.14 0.04 0.00 -0.01 0.00 0.00 64.34 64.22 1u8w n VAL 66 Cb 0.65 1.02 0.17 0.00 -0.91 0.00 0.00 33.84 34.77 1u8w n VAL 66 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1u8w n SER 67 N -1.24 0.09 -3.63 4.52 3.41 0.29 -4.81 113.62 112.26 1u8w n SER 67 Ca 0.04 0.53 -0.02 0.00 -0.26 0.00 0.00 58.87 59.16 1u8w n SER 67 Cb 0.27 -0.55 -0.01 0.00 -0.26 0.00 0.00 64.21 63.65 1u8w n SER 67 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1u8w s GLY 68 N -3.08 -0.35 0.58 5.00 0.00 -1.26 -5.12 107.32 103.09 1u8w s GLY 68 Ca 0.02 0.86 -0.20 0.00 0.00 0.00 0.00 44.72 45.40 1u8w s GLY 68 CO 0.11 0.23 1.30 -4.14 0.00 0.00 0.00 173.10 170.60 1u8w s PRO 69 N -2.68 2.96 0.35 2.90 0.02 -1.26 -4.63 135.00 132.67 1u8w s PRO 69 Ca 0.11 2.07 0.04 0.00 0.02 0.00 0.00 61.00 63.25 1u8w s PRO 69 Cb 0.01 -2.07 -0.06 0.00 0.02 0.00 0.00 34.50 32.40 1u8w s PRO 69 CO -0.03 -1.28 0.05 0.14 -0.33 0.00 0.00 177.00 175.55 1u8w s VAL 70 N -1.40 1.29 -0.23 3.83 -7.23 0.16 -4.05 120.40 112.77 1u8w s VAL 70 Ca 0.76 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.95 1u8w s VAL 70 Cb -0.37 -2.78 0.05 0.00 0.56 0.00 0.00 36.38 33.84 1u8w s VAL 70 CO 0.41 0.00 -0.12 -0.69 -0.31 0.00 0.00 175.10 174.39 1u8w s VAL 71 N -3.17 1.97 0.05 1.32 1.01 -1.04 -0.97 120.40 119.56 1u8w s VAL 71 Ca 0.34 -1.33 -0.17 0.00 0.00 0.00 0.00 61.98 60.82 1u8w s VAL 71 Cb 0.08 -2.03 -0.06 0.00 0.00 0.00 0.00 36.38 34.37 1u8w s VAL 71 CO 0.16 0.11 0.50 0.00 0.00 0.00 0.00 175.10 175.87 1u8w s ALA 72 N 1.23 3.63 0.03 5.51 0.00 -0.64 -1.52 121.76 130.01 1u8w s ALA 72 Ca -0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 51.96 51.83 1u8w s ALA 72 Cb -0.18 -2.53 -0.03 0.00 0.00 0.00 0.00 23.12 20.39 1u8w s ALA 72 CO -0.07 0.44 -0.01 -1.64 0.00 0.00 0.00 175.76 174.48 1u8w s MET 73 N -1.13 0.46 -0.18 0.00 -1.94 0.00 -2.19 119.30 114.32 1u8w s MET 73 Ca 0.27 -0.84 0.01 0.00 -1.71 0.00 0.00 55.69 53.42 1u8w s MET 73 Cb -0.18 0.16 0.03 0.00 2.01 0.00 0.00 34.83 36.86 1u8w s MET 73 CO 0.17 -0.09 -0.13 0.42 -0.01 0.00 0.00 175.02 175.39 1u8w s ILE 74 N -2.48 1.67 -0.03 2.53 1.01 -0.09 -2.42 121.20 121.40 1u8w s ILE 74 Ca -0.06 -0.88 0.06 0.00 0.00 0.00 0.00 60.65 59.76 1u8w s ILE 74 Cb -0.02 -1.66 -0.02 0.00 0.01 0.00 0.00 42.46 40.76 1u8w s ILE 74 CO -0.05 0.30 -0.21 0.26 0.00 0.00 0.00 174.94 175.25 1u8w s TRP 75 N 1.41 2.50 0.03 3.97 0.52 -0.96 0.22 118.94 126.64 1u8w s TRP 75 Ca 0.01 -0.31 0.08 0.00 0.02 0.00 0.00 56.10 55.91 1u8w s TRP 75 Cb -0.15 -1.55 -0.03 0.00 -1.15 0.00 0.00 33.47 30.60 1u8w s TRP 75 CO -0.09 0.08 -0.25 -2.00 0.02 0.00 0.00 176.95 174.71 1u8w s GLU 76 N -0.73 1.76 0.00 4.98 2.12 0.14 -1.18 118.70 125.78 1u8w s GLU 76 Ca 0.11 -1.01 0.00 0.00 0.36 0.00 0.00 54.97 54.43 1u8w s GLU 76 Cb -0.10 -1.86 0.00 0.00 0.26 0.00 0.00 34.13 32.43 1u8w s GLU 76 CO 0.00 0.49 0.00 0.41 -0.54 0.00 0.00 175.26 175.62 1u8w n GLY 77 N 1.98 3.35 3.68 -1.50 0.00 -0.35 -2.14 105.19 110.21 1u8w n GLY 77 Ca -0.17 -1.09 -0.46 0.00 0.00 0.00 0.00 46.02 44.30 1u8w n GLY 77 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1u8w n LYS 78 N -1.28 2.35 -1.17 1.61 5.02 -1.26 -0.95 118.16 122.47 1u8w n LYS 78 Ca 0.00 0.86 -0.06 0.00 -2.02 0.00 0.00 58.31 57.09 1u8w n LYS 78 Cb 0.00 -2.71 -0.02 0.00 -0.02 0.00 0.00 35.03 32.28 1u8w n LYS 78 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1u8w n ASN 79 N 5.85 -5.34 -0.34 4.39 3.02 -1.26 -4.85 115.26 116.73 1u8w n ASN 79 Ca 0.20 0.14 0.22 0.00 -0.03 0.00 0.00 54.58 55.12 1u8w n ASN 79 Cb 0.32 -3.35 0.48 0.00 -0.61 0.00 0.00 39.78 36.62 1u8w n ASN 79 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1u8w h VAL 80 N 0.00 0.48 0.48 2.41 3.04 -1.34 0.82 116.25 122.13 1u8w h VAL 80 Ca -0.12 -0.15 -0.02 0.00 -1.01 0.00 0.00 66.70 65.40 1u8w h VAL 80 Cb 0.92 0.01 0.00 0.00 -2.01 0.00 0.00 31.29 30.22 1u8w h VAL 80 CO 0.17 0.08 -0.23 0.58 -1.01 0.00 0.00 177.57 177.16 1u8w h VAL 81 N 0.43 0.51 -0.28 1.51 2.07 -1.84 0.23 116.25 118.88 1u8w h VAL 81 Ca 0.64 -0.22 -0.12 0.00 0.82 0.00 0.00 66.70 67.83 1u8w h VAL 81 Cb 1.51 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1u8w h VAL 81 CO -0.39 0.04 -0.28 -0.07 0.02 0.00 0.00 177.57 176.89 1u8w h LEU 82 N -0.78 0.73 -0.98 2.57 3.38 -1.49 -2.90 115.31 115.84 1u8w h LEU 82 Ca -0.07 -0.47 0.02 0.00 0.09 0.00 0.00 57.88 57.45 1u8w h LEU 82 Cb 0.55 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 1u8w h LEU 82 CO 0.11 1.05 0.65 0.74 0.09 0.00 0.00 178.44 181.08 1u8w h THR 83 N 0.41 1.23 -0.80 0.22 2.02 0.57 -1.96 112.91 114.61 1u8w h THR 83 Ca 0.04 -0.45 0.06 0.00 0.77 0.00 0.00 66.41 66.83 1u8w h THR 83 Cb 0.85 -0.19 -0.06 0.00 -1.74 0.00 0.00 68.15 67.01 1u8w h THR 83 CO 0.07 0.24 0.49 1.23 0.37 0.00 0.00 175.52 177.91 1u8w h GLY 84 N 1.31 1.19 1.59 2.16 0.00 -0.44 0.13 103.07 109.00 1u8w h GLY 84 Ca 0.37 -0.35 -0.09 0.00 0.00 0.00 0.00 47.33 47.26 1u8w h GLY 84 CO -0.09 0.25 -0.22 3.21 0.00 0.00 0.00 176.54 179.69 1u8w h ARG 85 N 0.90 0.48 0.12 4.80 2.47 -1.19 -1.01 114.38 120.95 1u8w h ARG 85 Ca 0.34 -0.17 -0.01 0.00 -1.26 0.00 0.00 59.98 58.89 1u8w h ARG 85 Cb 0.14 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.43 1u8w h ARG 85 CO -0.16 0.68 -0.06 0.87 0.56 0.00 0.00 179.97 181.86 1u8w h LYS 86 N 0.43 -0.15 -0.60 0.04 1.57 -0.47 -1.21 116.57 116.18 1u8w h LYS 86 Ca 0.07 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.93 1u8w h LYS 86 Cb 0.63 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.93 1u8w h LYS 86 CO 0.04 0.08 0.40 0.82 -0.57 0.00 0.00 179.45 180.22 1u8w h ILE 87 N -0.36 0.96 -0.00 1.86 2.04 -0.58 -2.55 117.51 118.86 1u8w h ILE 87 Ca -0.02 -0.18 -0.26 0.00 1.00 0.00 0.00 64.86 65.41 1u8w h ILE 87 Cb 0.30 0.40 0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1u8w h ILE 87 CO 0.03 0.09 -1.01 0.40 0.00 0.00 0.00 178.15 177.66 1u8w h ILE 88 N 0.51 1.31 0.00 -0.67 2.04 -0.98 0.39 117.51 120.10 1u8w h ILE 88 Ca 0.27 -2.29 0.00 0.00 1.00 0.00 0.00 64.86 63.84 1u8w h ILE 88 Cb 0.38 2.38 0.00 0.00 -0.74 0.00 0.00 36.82 38.84 1u8w h ILE 88 CO -0.08 0.70 0.00 0.61 0.00 0.00 0.00 178.15 179.38 1u8w n GLY 89 N 1.04 0.24 3.46 5.37 0.00 -0.47 -0.35 105.19 114.48 1u8w n GLY 89 Ca -0.10 -1.86 -0.38 0.00 0.00 0.00 0.00 46.02 43.68 1u8w n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u8w n ALA 90 N 0.56 -1.20 0.04 4.61 0.00 -1.26 -4.90 120.51 118.36 1u8w n ALA 90 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 53.44 53.30 1u8w n ALA 90 Cb 0.00 -1.81 -0.07 0.00 0.00 0.00 0.00 19.45 17.56 1u8w n ALA 90 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1u8w h THR 91 N 0.25 1.02 -3.52 0.00 2.02 -1.97 -3.38 112.91 107.33 1u8w h THR 91 Ca -0.45 -0.06 -0.58 0.00 0.77 0.00 0.00 66.41 66.09 1u8w h THR 91 Cb 1.40 1.06 -0.08 0.00 -1.74 0.00 0.00 68.15 68.79 1u8w h THR 91 CO 0.47 0.02 0.75 0.20 0.37 0.00 0.00 175.52 177.33 1u8w s ASN 92 N -5.21 6.72 0.66 4.18 0.01 -1.26 -4.84 114.94 115.20 1u8w s ASN 92 Ca -0.13 0.63 0.32 0.00 -0.71 0.00 0.00 52.86 52.97 1u8w s ASN 92 Cb 0.06 -2.51 1.75 0.00 0.41 0.00 0.00 41.25 40.96 1u8w s ASN 92 CO 0.66 -0.99 1.98 -0.65 -1.51 0.00 0.00 177.10 176.60 1u8w h PRO 93 N 8.62 0.00 0.00 -0.60 0.11 -1.81 0.22 132.00 138.54 1u8w h PRO 93 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1u8w h PRO 93 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1u8w h PRO 93 CO 1.04 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.83 1u8w h ALA 94 N 1.44 1.00 0.00 -0.75 0.00 -1.90 -3.21 119.26 115.84 1u8w h ALA 94 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1u8w h ALA 94 Cb 0.56 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1u8w h ALA 94 CO 0.00 0.00 -1.52 0.00 0.00 0.00 0.00 179.25 177.73 1u8w n ALA 95 N -1.93 2.19 -1.68 0.00 0.00 0.71 -5.00 120.51 114.81 1u8w n ALA 95 Ca 0.02 -0.36 -0.45 0.00 0.00 0.00 0.00 53.44 52.65 1u8w n ALA 95 Cb 0.31 -0.23 -0.04 0.00 0.00 0.00 0.00 19.45 19.49 1u8w n ALA 95 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1u8w n SER 96 N -2.00 3.46 -4.80 0.00 3.41 -0.94 -4.78 113.62 107.96 1u8w n SER 96 Ca -0.06 1.03 -0.34 0.00 -0.26 0.00 0.00 58.87 59.24 1u8w n SER 96 Cb 0.43 -1.45 -0.04 0.00 -0.26 0.00 0.00 64.21 62.88 1u8w n SER 96 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1u8w s GLU 97 N 2.13 3.96 0.37 4.33 8.01 -1.26 -4.45 118.70 131.80 1u8w s GLU 97 Ca 0.83 1.33 -0.28 0.00 0.01 0.00 0.00 54.97 56.86 1u8w s GLU 97 Cb -0.62 -2.19 -0.11 0.00 -4.31 0.00 0.00 34.13 26.90 1u8w s GLU 97 CO 0.41 -0.29 1.44 -2.14 0.01 0.00 0.00 175.26 174.70 1u8w s PRO 98 N -3.09 4.14 0.00 0.39 0.02 -1.26 -2.53 135.00 132.67 1u8w s PRO 98 Ca 0.64 2.49 0.00 0.00 0.02 0.00 0.00 61.00 64.15 1u8w s PRO 98 Cb -0.16 -2.97 0.00 0.00 0.02 0.00 0.00 34.50 31.39 1u8w s PRO 98 CO 0.20 -0.47 0.00 0.41 -0.33 0.00 0.00 177.00 176.80 1u8w n GLY 99 N 0.53 2.89 3.97 0.52 0.00 -1.26 -4.98 105.19 106.86 1u8w n GLY 99 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 1u8w n GLY 99 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1u8w s THR 100 N -2.58 5.25 0.12 2.61 -4.23 -1.05 -4.96 115.64 110.80 1u8w s THR 100 Ca 0.00 -0.98 -0.22 0.00 -1.18 0.00 0.00 61.69 59.30 1u8w s THR 100 Cb 0.00 -3.85 -0.04 0.00 1.34 0.00 0.00 72.50 69.95 1u8w s THR 100 CO 0.00 -0.32 1.68 0.40 -0.54 0.00 0.00 174.62 175.84 1u8w h ILE 101 N 1.20 0.67 0.00 2.99 2.04 -0.23 -0.44 117.51 123.73 1u8w h ILE 101 Ca -0.52 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.24 1u8w h ILE 101 Cb 1.23 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 1u8w h ILE 101 CO 0.61 0.00 -0.50 0.03 0.00 0.00 0.00 178.15 178.30 1u8w h ARG 102 N -0.16 0.00 -0.58 2.37 3.08 -0.93 -2.20 114.38 115.96 1u8w h ARG 102 Ca 0.08 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 1u8w h ARG 102 Cb 0.27 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 1u8w h ARG 102 CO -0.19 0.50 0.22 0.78 -1.07 0.00 0.00 179.97 180.21 1u8w h GLY 103 N 1.69 0.91 1.34 0.04 0.00 -1.47 -1.89 103.07 103.69 1u8w h GLY 103 Ca -0.00 -0.46 -0.25 0.00 0.00 0.00 0.00 47.33 46.61 1u8w h GLY 103 CO 0.06 0.44 -1.42 -0.55 0.00 0.00 0.00 176.54 175.08 1u8w h ASP 104 N 0.83 0.00 0.00 0.19 3.32 -0.84 -3.42 116.42 116.51 1u8w h ASP 104 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1u8w h ASP 104 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1u8w h ASP 104 CO -0.02 0.95 -0.99 0.49 -1.72 0.00 0.00 179.24 177.95 1u8w n PHE 105 N -3.14 0.00 -2.53 4.55 3.01 -0.85 -5.08 117.46 113.42 1u8w n PHE 105 Ca -0.10 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.00 1u8w n PHE 105 Cb 0.99 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 40.42 1u8w n PHE 105 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1u8w s ALA 106 N -1.99 3.06 0.00 4.37 0.00 -0.71 -4.97 121.76 121.51 1u8w s ALA 106 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.66 1u8w s ALA 106 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1u8w s ALA 106 CO 0.00 -0.24 0.00 -0.89 0.00 0.00 0.00 175.76 174.63 1u8w n ILE 107 N -0.18 0.00 -4.65 0.00 5.41 -1.26 -4.81 119.36 113.88 1u8w n ILE 107 Ca 0.06 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.48 1u8w n ILE 107 Cb 0.50 -0.37 -0.12 0.00 -0.71 0.00 0.00 39.64 38.95 1u8w n ILE 107 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1u8w s ASP 108 N -3.74 4.41 0.26 4.38 3.68 -1.26 -4.53 116.67 119.88 1u8w s ASP 108 Ca 0.00 -0.14 -0.01 0.00 2.13 0.00 0.00 52.55 54.53 1u8w s ASP 108 Cb 0.00 -1.01 0.53 0.00 -1.45 0.00 0.00 42.92 40.99 1u8w s ASP 108 CO 0.00 0.33 1.75 0.40 0.13 0.00 0.00 175.17 177.78 1u8w h ILE 109 N 4.09 0.71 0.00 4.11 2.04 -1.98 0.15 117.51 126.62 1u8w h ILE 109 Ca -0.48 -0.20 -0.04 0.00 1.00 0.00 0.00 64.86 65.14 1u8w h ILE 109 Cb 1.16 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1u8w h ILE 109 CO 0.52 0.11 -0.17 1.23 0.00 0.00 0.00 178.15 179.84 1u8w h GLY 110 N 0.59 0.00 -6.26 5.37 0.00 -1.96 -3.26 103.07 97.55 1u8w h GLY 110 Ca 0.46 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 47.19 1u8w h GLY 110 CO -0.38 0.00 -0.59 0.54 0.00 0.00 0.00 176.54 176.11 1u8w n ARG 111 N -3.96 2.48 -0.65 4.80 5.12 0.50 -4.90 116.66 120.04 1u8w n ARG 111 Ca -0.02 -4.66 0.07 0.00 -1.93 0.00 0.00 57.85 51.31 1u8w n ARG 111 Cb 0.26 -2.26 0.33 0.00 -1.16 0.00 0.00 32.46 29.63 1u8w n ARG 111 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1u8w n ASN 112 N 0.93 4.63 0.00 0.55 0.23 -1.14 -4.10 115.26 116.36 1u8w n ASN 112 Ca 0.29 -2.58 0.00 0.00 -0.53 0.00 0.00 54.58 51.76 1u8w n ASN 112 Cb 0.41 -0.60 0.00 0.00 -2.08 0.00 0.00 39.78 37.51 1u8w n ASN 112 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1u8w n VAL 113 N 0.77 0.00 -4.25 3.53 0.31 -1.26 -4.81 118.33 112.61 1u8w n VAL 113 Ca 0.23 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.42 1u8w n VAL 113 Cb 0.92 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.75 1u8w n VAL 113 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1u8w s ILE 114 N 0.00 0.43 0.01 2.52 1.01 -1.26 0.25 121.20 124.15 1u8w s ILE 114 Ca 0.00 -1.98 0.01 0.00 0.00 0.00 0.00 60.65 58.68 1u8w s ILE 114 Cb 0.00 -2.38 -0.01 0.00 0.01 0.00 0.00 42.46 40.08 1u8w s ILE 114 CO 0.00 -0.20 -0.03 -2.28 0.00 0.00 0.00 174.94 172.43 1u8w s HIS 115 N -3.84 0.26 -0.02 3.97 5.65 0.12 -4.85 115.29 116.58 1u8w s HIS 115 Ca 0.32 -0.17 -0.05 0.00 0.25 0.00 0.00 55.06 55.41 1u8w s HIS 115 Cb 0.07 -0.17 0.01 0.00 -1.18 0.00 0.00 32.58 31.31 1u8w s HIS 115 CO 0.09 -0.04 0.11 0.20 -0.65 0.00 0.00 174.74 174.45 1u8w s GLY 116 N -0.46 -0.01 -0.01 1.59 0.00 -1.26 -0.88 107.32 106.29 1u8w s GLY 116 Ca -0.03 0.10 -0.35 0.00 0.00 0.00 0.00 44.72 44.43 1u8w s GLY 116 CO -0.00 0.02 1.66 1.44 0.00 0.00 0.00 173.10 176.22 1u8w n SER 117 N 2.37 2.84 -0.00 1.64 7.64 -0.62 -4.86 113.62 122.63 1u8w n SER 117 Ca -0.17 1.05 0.14 0.00 1.01 0.00 0.00 58.87 60.90 1u8w n SER 117 Cb 0.58 -1.32 0.61 0.00 -1.01 0.00 0.00 64.21 63.07 1u8w n SER 117 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1u8w n ASP 118 N 4.65 0.02 -3.47 6.43 5.68 -1.26 -4.81 116.55 123.79 1u8w n ASP 118 Ca 0.21 0.45 -0.12 0.00 -0.50 0.00 0.00 54.79 54.84 1u8w n ASP 118 Cb 0.25 -0.47 -0.02 0.00 -1.14 0.00 0.00 41.12 39.74 1u8w n ASP 118 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1u8w s SER 119 N -2.99 -0.52 0.47 -1.12 1.04 -1.26 -4.97 113.70 104.35 1u8w s SER 119 Ca 0.14 -0.07 0.14 0.00 0.48 0.00 0.00 55.95 56.65 1u8w s SER 119 Cb 0.19 0.60 1.12 0.00 0.10 0.00 0.00 66.02 68.03 1u8w s SER 119 CO 0.53 -0.98 2.07 0.58 0.98 0.00 0.00 173.24 176.42 1u8w h VAL 120 N 2.03 0.98 0.11 5.02 2.07 -1.93 0.90 116.25 125.43 1u8w h VAL 120 Ca -0.33 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1u8w h VAL 120 Cb 1.30 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1u8w h VAL 120 CO 0.38 0.04 -0.05 -0.08 0.02 0.00 0.00 177.57 177.88 1u8w h GLU 121 N 0.25 -0.14 -0.88 1.57 4.81 -1.98 -1.42 114.58 116.79 1u8w h GLU 121 Ca 0.13 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1u8w h GLU 121 Cb 0.22 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 1u8w h GLU 121 CO -0.03 0.29 0.58 0.77 -0.73 0.00 0.00 179.01 179.90 1u8w h SER 122 N -0.64 1.01 0.51 1.04 0.02 -1.76 -2.87 113.55 110.85 1u8w h SER 122 Ca -0.02 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 1u8w h SER 122 Cb 0.50 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1u8w h SER 122 CO 0.02 0.72 -0.40 0.00 -1.14 0.00 0.00 176.83 176.04 1u8w h ALA 123 N 1.33 -1.13 -0.03 3.77 0.00 0.91 0.15 119.26 124.26 1u8w h ALA 123 Ca 0.33 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1u8w h ALA 123 Cb -0.12 0.58 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1u8w h ALA 123 CO -0.08 -1.13 0.19 -0.09 0.00 0.00 0.00 179.25 178.15 1u8w h ARG 124 N -0.88 0.00 0.06 0.00 2.43 -1.23 -1.26 114.38 113.51 1u8w h ARG 124 Ca -0.07 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 58.87 1u8w h ARG 124 Cb 0.73 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 1u8w h ARG 124 CO 0.01 0.00 -1.24 0.87 -1.51 0.00 0.00 179.97 178.11 1u8w h LYS 125 N 0.00 0.14 -0.61 0.20 1.57 -1.16 -3.25 116.57 113.45 1u8w h LYS 125 Ca 0.01 -0.23 -0.09 0.00 -1.87 0.00 0.00 60.65 58.47 1u8w h LYS 125 Cb 0.40 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1u8w h LYS 125 CO -0.00 1.11 0.03 0.93 -0.57 0.00 0.00 179.45 180.95 1u8w h GLU 126 N -0.59 1.05 -0.73 3.15 5.08 -0.24 -2.39 114.58 119.91 1u8w h GLU 126 Ca -0.29 -0.31 0.05 0.00 -1.00 0.00 0.00 59.36 57.81 1u8w h GLU 126 Cb 1.54 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 30.63 1u8w h GLU 126 CO -0.03 1.01 0.43 0.97 -1.00 0.00 0.00 179.01 180.39 1u8w h ILE 127 N 0.97 1.02 -0.60 3.13 -0.00 -1.41 -0.93 117.51 119.68 1u8w h ILE 127 Ca 0.18 -0.28 -0.10 0.00 -0.00 0.00 0.00 64.86 64.66 1u8w h ILE 127 Cb 0.52 0.14 -0.02 0.00 -0.00 0.00 0.00 36.82 37.46 1u8w h ILE 127 CO 0.03 0.15 -0.03 0.00 -0.00 0.00 0.00 178.15 178.30 1u8w h ALA 128 N 1.35 0.82 0.63 0.18 0.00 -1.53 0.30 119.26 121.01 1u8w h ALA 128 Ca 0.32 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1u8w h ALA 128 Cb 0.15 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.72 1u8w h ALA 128 CO -0.16 0.67 -0.30 1.25 0.00 0.00 0.00 179.25 180.71 1u8w h LEU 129 N 0.97 -0.72 -0.45 0.00 5.85 -0.87 -3.10 115.31 116.99 1u8w h LEU 129 Ca 0.17 -0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.70 1u8w h LEU 129 Cb 0.59 0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 1u8w h LEU 129 CO 0.04 -0.40 -0.50 -0.50 -0.34 0.00 0.00 178.44 176.74 1u8w h TRP 130 N -1.04 0.90 -2.48 1.25 4.06 -1.24 -3.35 115.95 114.05 1u8w h TRP 130 Ca -0.09 -0.30 -0.65 0.00 2.06 0.00 0.00 58.89 59.91 1u8w h TRP 130 Cb 0.69 -0.18 -0.39 0.00 -1.00 0.00 0.00 29.16 28.29 1u8w h TRP 130 CO -0.00 1.08 -0.27 1.19 -3.56 0.00 0.00 178.44 176.88 1u8w n PHE 131 N -4.00 3.38 0.26 0.49 3.01 0.09 -4.89 117.46 115.80 1u8w n PHE 131 Ca -0.03 -3.84 0.13 0.00 1.01 0.00 0.00 57.45 54.72 1u8w n PHE 131 Cb 0.59 -0.75 0.80 0.00 -0.01 0.00 0.00 39.48 40.12 1u8w n PHE 131 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1u8w h PRO 132 N 4.64 0.00 0.00 -1.08 0.13 -1.68 -1.73 132.00 132.28 1u8w h PRO 132 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1u8w h PRO 132 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1u8w h PRO 132 CO 0.94 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.46 1u8w n ASP 133 N -4.09 0.00 0.00 1.44 10.43 -1.26 -5.03 116.55 118.04 1u8w n ASP 133 Ca -0.02 -0.42 0.00 0.00 2.57 0.00 0.00 54.79 56.93 1u8w n ASP 133 Cb 0.14 -0.18 0.00 0.00 1.84 0.00 0.00 41.12 42.92 1u8w n ASP 133 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1u8w n GLY 134 N 1.07 -0.33 3.92 0.44 0.00 -0.65 -5.01 105.19 104.64 1u8w n GLY 134 Ca 0.17 -1.80 -0.26 0.00 0.00 0.00 0.00 46.02 44.13 1u8w n GLY 134 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1u8w s PRO 135 N -1.49 3.00 -0.38 1.61 0.04 -1.26 -4.98 135.00 131.53 1u8w s PRO 135 Ca 0.00 -0.11 -0.15 0.00 0.04 0.00 0.00 61.00 60.78 1u8w s PRO 135 Cb 0.00 -2.35 0.01 0.00 0.04 0.00 0.00 34.50 32.20 1u8w s PRO 135 CO 0.00 -0.57 0.33 0.08 0.04 0.00 0.00 177.00 176.88 1u8w s VAL 136 N -2.87 5.21 0.27 -0.36 1.01 0.71 -5.04 120.40 119.33 1u8w s VAL 136 Ca 0.52 -0.35 -0.09 0.00 0.00 0.00 0.00 61.98 62.05 1u8w s VAL 136 Cb -0.10 -3.89 -0.07 0.00 0.00 0.00 0.00 36.38 32.32 1u8w s VAL 136 CO 0.43 -0.23 0.60 0.20 0.00 0.00 0.00 175.10 176.11 1u8w s ASN 137 N 1.73 6.59 -0.11 3.32 0.01 -1.26 -4.54 114.94 120.68 1u8w s ASN 137 Ca 0.08 0.94 -0.33 0.00 -0.71 0.00 0.00 52.86 52.84 1u8w s ASN 137 Cb -0.18 -2.23 0.14 0.00 0.41 0.00 0.00 41.25 39.38 1u8w s ASN 137 CO 0.11 -0.15 1.33 -1.66 -1.51 0.00 0.00 177.10 175.22 1u8w s TRP 138 N -1.96 -0.04 -0.01 2.20 1.48 -1.26 -5.16 118.94 114.18 1u8w s TRP 138 Ca 0.48 -0.01 0.04 0.00 -1.06 0.00 0.00 56.10 55.55 1u8w s TRP 138 Cb -0.11 0.52 -0.01 0.00 -1.16 0.00 0.00 33.47 32.71 1u8w s TRP 138 CO 0.24 -0.16 -0.14 -0.65 -4.06 0.00 0.00 176.95 172.18 1u8w s GLN 139 N -2.26 1.17 0.05 3.25 -1.52 -1.26 -5.10 119.66 113.99 1u8w s GLN 139 Ca 0.13 -0.51 -0.31 0.00 -1.95 0.00 0.00 55.36 52.73 1u8w s GLN 139 Cb 0.04 -1.12 -0.06 0.00 -0.22 0.00 0.00 33.01 31.64 1u8w s GLN 139 CO -0.05 0.30 1.29 0.45 -0.25 0.00 0.00 175.29 177.04 1u8w s SER 140 N -0.31 6.96 0.50 5.90 0.15 -1.26 -4.90 113.70 120.75 1u8w s SER 140 Ca 0.05 2.10 0.34 0.00 0.70 0.00 0.00 55.95 59.14 1u8w s SER 140 Cb -0.06 -2.57 1.81 0.00 -1.71 0.00 0.00 66.02 63.48 1u8w s SER 140 CO -0.00 -0.58 2.04 0.77 1.20 0.00 0.00 173.24 176.66 1u8w h SER 141 N 7.08 0.00 -0.63 5.45 4.64 -2.05 0.18 113.55 128.21 1u8w h SER 141 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1u8w h SER 141 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1u8w h SER 141 CO 0.85 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 178.14 1u8w n VAL 142 N -2.71 0.83 -0.29 0.95 0.24 -1.26 -4.59 118.33 111.50 1u8w n VAL 142 Ca -0.02 -0.90 0.10 0.00 -2.04 0.00 0.00 64.34 61.48 1u8w n VAL 142 Cb 0.08 0.63 0.23 0.00 -1.47 0.00 0.00 33.84 33.31 1u8w n VAL 142 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 1u8w h HIS 143 N 4.31 0.07 0.00 6.34 6.17 -1.03 0.39 115.15 131.41 1u8w h HIS 143 Ca 0.00 0.06 0.00 0.00 0.71 0.00 0.00 60.37 61.14 1u8w h HIS 143 Cb 0.98 0.11 0.00 0.00 2.52 0.00 0.00 27.41 31.01 1u8w h HIS 143 CO 0.42 -0.28 0.00 -0.35 0.71 0.00 0.00 177.93 178.42 1u8w n PRO 144 N -5.35 0.00 -0.00 5.26 -0.04 -1.26 -0.75 135.00 132.86 1u8w n PRO 144 Ca 0.18 0.32 0.10 0.00 -0.04 0.00 0.00 63.50 64.06 1u8w n PRO 144 Cb 0.61 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.44 1u8w n PRO 144 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1u8w n TRP 145 N -1.50 0.00 -0.08 0.54 7.02 0.13 -4.31 117.44 119.25 1u8w n TRP 145 Ca 0.02 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.40 1u8w n TRP 145 Cb 0.12 -0.20 -0.15 0.00 -2.42 0.00 0.00 31.31 28.66 1u8w n TRP 145 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 1u8w n VAL 146 N -1.78 1.45 -4.36 -0.99 0.31 -0.63 -5.00 118.33 107.33 1u8w n VAL 146 Ca 0.00 -0.83 -0.18 0.00 -0.01 0.00 0.00 64.34 63.32 1u8w n VAL 146 Cb 0.40 -0.66 -0.10 0.00 -0.91 0.00 0.00 33.84 32.57 1u8w n VAL 146 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1u8w s TYR 147 N -2.52 1.69 0.39 3.52 1.51 0.07 -5.10 117.35 116.91 1u8w s TYR 147 Ca -0.10 -0.75 0.02 0.00 -1.01 0.00 0.00 57.07 55.23 1u8w s TYR 147 Cb 0.07 -0.92 -0.01 0.00 -0.11 0.00 0.00 41.96 40.98 1u8w s TYR 147 CO 0.82 0.17 0.59 -1.21 -1.11 0.00 0.00 175.55 174.80 1u8w s GLU 148 N -3.76 3.19 0.00 -0.62 2.02 -1.26 -4.48 118.70 113.79 1u8w s GLU 148 Ca 0.26 -0.58 0.00 0.00 0.02 0.00 0.00 54.97 54.67 1u8w s GLU 148 Cb 0.03 -2.65 0.00 0.00 0.10 0.00 0.00 34.13 31.61 1u8w s GLU 148 CO 0.08 -0.07 0.00 2.41 0.02 0.00 0.00 175.26 177.70