#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lqy s ILE 2 N 0.00 4.01 0.34 3.17 1.01 -1.26 -5.06 121.20 123.41 1lqy s ILE 2 Ca 0.00 1.49 0.04 0.00 0.00 0.00 0.00 60.65 62.18 1lqy s ILE 2 Cb 0.00 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.69 1lqy s ILE 2 CO 0.00 -0.04 0.18 0.42 0.00 0.00 0.00 174.94 175.50 1lqy s THR 3 N -1.78 0.34 0.61 2.92 -4.23 -1.26 -4.95 115.64 107.30 1lqy s THR 3 Ca 0.57 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 59.39 1lqy s THR 3 Cb -0.18 -2.46 0.37 0.00 1.34 0.00 0.00 72.50 71.57 1lqy s THR 3 CO 0.23 0.00 2.13 0.24 -0.54 0.00 0.00 174.62 176.68 1lqy h MET 4 N 2.07 0.00 0.00 3.99 2.86 -1.44 -0.31 114.93 122.09 1lqy h MET 4 Ca -0.32 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 1lqy h MET 4 Cb 1.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.91 1lqy h MET 4 CO 0.50 0.00 0.00 0.36 1.06 0.00 0.00 176.91 178.83 1lqy n LYS 5 N -3.60 0.29 0.00 1.72 2.85 -1.26 -2.19 118.16 115.98 1lqy n LYS 5 Ca 0.00 0.06 0.11 0.00 -1.05 0.00 0.00 58.31 57.42 1lqy n LYS 5 Cb 0.27 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.16 1lqy n LYS 5 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1lqy n ASP 6 N -1.32 0.79 -4.63 -5.58 8.00 -0.13 -4.90 116.55 108.77 1lqy n ASP 6 Ca 0.11 -0.68 -0.42 0.00 0.71 0.00 0.00 54.79 54.51 1lqy n ASP 6 Cb 0.21 0.78 -0.05 0.00 -0.02 0.00 0.00 41.12 42.05 1lqy n ASP 6 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1lqy s ILE 7 N -3.03 4.83 0.50 0.53 -1.09 -0.93 -4.30 121.20 117.70 1lqy s ILE 7 Ca 0.08 1.40 -0.14 0.00 -2.23 0.00 0.00 60.65 59.77 1lqy s ILE 7 Cb 0.16 -4.11 -0.07 0.00 -1.58 0.00 0.00 42.46 36.86 1lqy s ILE 7 CO 0.81 -0.13 0.93 0.27 -1.23 0.00 0.00 174.94 175.59 1lqy s ILE 8 N 2.87 4.63 0.25 2.92 -4.36 0.20 -5.02 121.20 122.70 1lqy s ILE 8 Ca 0.33 0.99 0.08 0.00 -0.26 0.00 0.00 60.65 61.79 1lqy s ILE 8 Cb -0.15 -3.75 -0.04 0.00 1.25 0.00 0.00 42.46 39.78 1lqy s ILE 8 CO 0.09 -0.71 0.11 -0.54 0.24 0.00 0.00 174.94 174.14 1lqy s LYS 9 N -4.18 2.67 0.17 0.37 -0.14 -1.26 -4.45 119.74 112.92 1lqy s LYS 9 Ca 0.56 -1.19 -0.33 0.00 -1.36 0.00 0.00 55.97 53.65 1lqy s LYS 9 Cb -0.10 -2.40 -0.16 0.00 -1.68 0.00 0.00 37.83 33.49 1lqy s LYS 9 CO 0.35 0.39 1.13 -0.85 -0.76 0.00 0.00 175.35 175.60 1lqy n GLU 10 N -1.03 1.08 0.00 1.68 0.28 0.08 -1.37 120.64 121.36 1lqy n GLU 10 Ca -0.07 0.39 0.00 0.00 -0.16 0.00 0.00 57.16 57.31 1lqy n GLU 10 Cb 0.58 -1.86 0.00 0.00 1.43 0.00 0.00 31.44 31.60 1lqy n GLU 10 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1lqy n GLY 11 N 1.95 1.02 3.70 -1.84 0.00 -1.26 -5.06 105.19 103.70 1lqy n GLY 11 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1lqy n GLY 11 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1lqy s HIS 12 N -1.45 3.12 0.54 1.61 5.04 -0.47 -4.90 115.29 118.78 1lqy s HIS 12 Ca 0.00 1.00 0.27 0.00 -1.54 0.00 0.00 55.06 54.78 1lqy s HIS 12 Cb 0.00 -3.59 1.43 0.00 0.04 0.00 0.00 32.58 30.46 1lqy s HIS 12 CO 0.00 -2.07 1.98 -1.35 -2.34 0.00 0.00 174.74 170.96 1lqy h PRO 13 N 7.29 0.00 -0.17 2.88 0.11 -1.97 -1.87 132.00 138.27 1lqy h PRO 13 Ca -0.40 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.71 1lqy h PRO 13 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1lqy h PRO 13 CO 0.87 0.00 0.06 1.15 -0.21 0.00 0.00 178.00 179.87 1lqy h THR 14 N 0.00 1.07 0.00 -1.15 2.02 -1.93 -1.71 112.91 111.20 1lqy h THR 14 Ca 0.26 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.22 1lqy h THR 14 Cb 1.08 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 1lqy h THR 14 CO -0.00 0.08 0.00 0.18 0.37 0.00 0.00 175.52 176.15 1lqy n LEU 15 N -4.46 0.45 -0.56 2.58 4.77 -0.70 -2.88 117.00 116.20 1lqy n LEU 15 Ca -0.01 0.61 0.06 0.00 -0.03 0.00 0.00 56.01 56.65 1lqy n LEU 15 Cb 0.12 -0.56 0.10 0.00 -2.33 0.00 0.00 43.42 40.75 1lqy n LEU 15 CO 0.35 -0.47 0.52 0.54 -1.33 0.00 0.00 177.39 177.01 1lqy n ARG 16 N -2.00 1.62 -2.47 3.23 5.12 -0.65 -4.33 116.66 117.17 1lqy n ARG 16 Ca 0.02 -1.59 -0.27 0.00 -1.93 0.00 0.00 57.85 54.09 1lqy n ARG 16 Cb 0.21 -1.25 0.02 0.00 -1.16 0.00 0.00 32.46 30.28 1lqy n ARG 16 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1lqy s LYS 17 N -0.99 3.09 -0.27 5.56 1.02 -1.14 -4.56 119.74 122.45 1lqy s LYS 17 Ca 0.18 0.03 -0.14 0.00 0.02 0.00 0.00 55.97 56.06 1lqy s LYS 17 Cb 0.11 -2.31 -0.04 0.00 -0.52 0.00 0.00 37.83 35.07 1lqy s LYS 17 CO 0.16 -0.56 0.35 0.08 -0.92 0.00 0.00 175.35 174.46 1lqy s VAL 18 N -2.91 5.19 0.53 3.17 1.01 -1.26 -2.17 120.40 123.96 1lqy s VAL 18 Ca 0.52 0.49 -0.21 0.00 0.00 0.00 0.00 61.98 62.78 1lqy s VAL 18 Cb -0.10 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 1lqy s VAL 18 CO 0.45 0.16 1.24 0.00 0.00 0.00 0.00 175.10 176.95 1lqy s ALA 19 N 2.03 2.78 0.11 5.51 0.00 -0.24 -4.99 121.76 126.95 1lqy s ALA 19 Ca 0.14 1.08 -0.30 0.00 0.00 0.00 0.00 51.96 52.88 1lqy s ALA 19 Cb -0.16 -3.46 -0.06 0.00 0.00 0.00 0.00 23.12 19.44 1lqy s ALA 19 CO 0.10 -1.05 1.00 -1.21 0.00 0.00 0.00 175.76 174.60 1lqy s GLU 20 N -2.98 4.66 0.85 0.00 0.41 -0.59 -4.65 118.70 116.40 1lqy s GLU 20 Ca 0.71 1.52 -0.12 0.00 -0.41 0.00 0.00 54.97 56.66 1lqy s GLU 20 Cb -0.33 -3.36 0.09 0.00 -1.78 0.00 0.00 34.13 28.75 1lqy s GLU 20 CO 0.38 0.15 1.03 -2.30 -0.49 0.00 0.00 175.26 174.03 1lqy n PRO 21 N 2.84 -0.07 -3.75 0.39 -0.02 -1.26 -1.35 135.00 131.78 1lqy n PRO 21 Ca 0.03 0.05 -0.36 0.00 -2.02 0.00 0.00 63.50 61.20 1lqy n PRO 21 Cb 0.49 -2.30 -0.10 0.00 -0.02 0.00 0.00 33.50 31.57 1lqy n PRO 21 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1lqy s VAL 22 N -2.30 5.12 0.32 -1.45 1.01 -1.26 -4.75 120.40 117.09 1lqy s VAL 22 Ca 0.69 0.09 -0.29 0.00 0.00 0.00 0.00 61.98 62.47 1lqy s VAL 22 Cb -0.27 -3.37 -0.11 0.00 0.00 0.00 0.00 36.38 32.64 1lqy s VAL 22 CO 0.56 0.37 1.49 -2.84 0.00 0.00 0.00 175.10 174.68 1lqy s PRO 23 N 0.93 4.17 0.07 2.72 0.02 -1.26 -4.92 135.00 136.74 1lqy s PRO 23 Ca 0.06 2.48 0.10 0.00 0.02 0.00 0.00 61.00 63.66 1lqy s PRO 23 Cb -0.13 -3.02 -0.03 0.00 0.02 0.00 0.00 34.50 31.33 1lqy s PRO 23 CO 0.03 -0.50 -0.26 -0.51 -0.33 0.00 0.00 177.00 175.43 1lqy s LEU 24 N -1.24 2.27 0.59 -5.54 1.43 -1.26 -3.65 118.68 111.28 1lqy s LEU 24 Ca 0.57 -0.63 -0.20 0.00 -1.03 0.00 0.00 54.13 52.85 1lqy s LEU 24 Cb -0.45 -1.29 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 1lqy s LEU 24 CO 0.53 0.23 1.28 -2.16 0.23 0.00 0.00 176.35 176.46 1lqy s PRO 25 N -1.53 2.94 0.58 1.29 0.04 -1.26 -5.11 135.00 131.95 1lqy s PRO 25 Ca 0.13 2.02 -0.18 0.00 0.04 0.00 0.00 61.00 63.01 1lqy s PRO 25 Cb -0.10 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 1lqy s PRO 25 CO 0.04 -1.28 1.12 -1.25 0.04 0.00 0.00 177.00 175.67 1lqy s PRO 26 N -3.17 3.18 0.73 0.56 0.04 -1.24 -5.02 135.00 130.08 1lqy s PRO 26 Ca 0.76 1.54 -0.11 0.00 0.04 0.00 0.00 61.00 63.23 1lqy s PRO 26 Cb -0.36 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.23 1lqy s PRO 26 CO 0.40 -0.97 1.08 -1.54 0.04 0.00 0.00 177.00 176.01 1lqy s SER 27 N -2.04 4.88 0.43 6.66 1.04 -1.26 -4.84 113.70 118.56 1lqy s SER 27 Ca 0.71 1.76 0.09 0.00 0.48 0.00 0.00 55.95 58.99 1lqy s SER 27 Cb -0.23 -2.51 0.94 0.00 0.10 0.00 0.00 66.02 64.32 1lqy s SER 27 CO 0.32 -1.78 2.05 -0.33 0.98 0.00 0.00 173.24 174.47 1lqy h GLU 28 N -0.88 0.46 -0.34 4.02 4.39 -1.99 -1.86 114.58 118.38 1lqy h GLU 28 Ca -0.44 -0.03 -0.14 0.00 0.34 0.00 0.00 59.36 59.09 1lqy h GLU 28 Cb 1.22 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.76 1lqy h GLU 28 CO 0.53 0.30 -0.36 1.49 -1.16 0.00 0.00 179.01 179.82 1lqy h GLU 29 N 0.47 0.79 -0.14 2.33 4.57 -1.99 -0.70 114.58 119.91 1lqy h GLU 29 Ca 0.17 -0.39 -0.12 0.00 -1.18 0.00 0.00 59.36 57.84 1lqy h GLU 29 Cb 0.09 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 1lqy h GLU 29 CO -0.04 1.02 -0.43 -0.44 -1.18 0.00 0.00 179.01 177.93 1lqy h ASP 30 N 0.65 0.34 -0.45 1.04 3.45 -1.77 -1.31 116.42 118.38 1lqy h ASP 30 Ca 0.06 -0.15 -0.05 0.00 0.43 0.00 0.00 57.03 57.31 1lqy h ASP 30 Cb 0.91 -0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 39.57 1lqy h ASP 30 CO 0.08 0.74 0.07 0.11 -1.57 0.00 0.00 179.24 178.67 1lqy h LYS 31 N 0.27 0.75 -0.66 3.56 1.57 -1.19 -1.48 116.57 119.39 1lqy h LYS 31 Ca 0.02 -0.20 0.05 0.00 -1.87 0.00 0.00 60.65 58.65 1lqy h LYS 31 Cb 0.88 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 33.05 1lqy h LYS 31 CO 0.07 0.77 0.38 -0.09 -0.57 0.00 0.00 179.45 180.02 1lqy h ARG 32 N 0.61 0.70 -0.17 3.15 2.43 -0.70 -0.70 114.38 119.70 1lqy h ARG 32 Ca 0.14 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 1lqy h ARG 32 Cb 0.39 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1lqy h ARG 32 CO 0.01 0.46 0.03 0.82 -1.51 0.00 0.00 179.97 179.78 1lqy h ILE 33 N 0.72 1.22 -0.15 1.20 2.04 -0.92 -1.17 117.51 120.45 1lqy h ILE 33 Ca 0.29 -0.71 0.01 0.00 1.00 0.00 0.00 64.86 65.45 1lqy h ILE 33 Cb 0.14 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 1lqy h ILE 33 CO -0.16 0.22 0.06 0.25 0.00 0.00 0.00 178.15 178.52 1lqy h LEU 34 N 0.07 0.09 -0.74 1.44 5.85 -1.05 -1.77 115.31 119.20 1lqy h LEU 34 Ca 0.05 0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.90 1lqy h LEU 34 Cb 0.30 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.24 1lqy h LEU 34 CO 0.00 0.08 0.34 -0.61 -0.34 0.00 0.00 178.44 177.91 1lqy h GLN 35 N 0.15 0.52 -0.07 1.25 5.75 -1.08 -0.19 115.11 121.43 1lqy h GLN 35 Ca 0.06 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.52 1lqy h GLN 35 Cb 0.02 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 28.45 1lqy h GLN 35 CO -0.05 0.35 -0.01 0.66 -2.65 0.00 0.00 178.83 177.12 1lqy h SER 36 N 0.54 0.09 -0.06 -0.69 4.64 -0.39 0.75 113.55 118.43 1lqy h SER 36 Ca 0.38 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.68 1lqy h SER 36 Cb 0.49 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1lqy h SER 36 CO -0.33 0.12 -0.04 -0.07 -0.87 0.00 0.00 176.83 175.64 1lqy h LEU 37 N 0.10 0.14 -0.61 5.97 3.38 -0.30 -2.20 115.31 121.78 1lqy h LEU 37 Ca 0.02 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.53 1lqy h LEU 37 Cb 0.09 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1lqy h LEU 37 CO 0.00 0.57 0.38 0.25 0.09 0.00 0.00 178.44 179.73 1lqy h LEU 38 N -0.29 0.73 -1.19 1.67 5.85 -0.96 -1.11 115.31 120.01 1lqy h LEU 38 Ca 0.01 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 1lqy h LEU 38 Cb 0.52 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1lqy h LEU 38 CO 0.01 0.56 0.18 0.44 -0.34 0.00 0.00 178.44 179.29 1lqy h ASP 39 N 0.83 0.68 -0.32 1.25 3.32 -0.87 -1.53 116.42 119.78 1lqy h ASP 39 Ca 0.22 -0.09 -0.10 0.00 0.02 0.00 0.00 57.03 57.08 1lqy h ASP 39 Cb -0.04 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 1lqy h ASP 39 CO -0.04 0.64 -0.19 0.22 -1.72 0.00 0.00 179.24 178.15 1lqy h TYR 40 N 0.74 0.80 -0.28 4.55 3.20 -0.78 -0.50 116.97 124.69 1lqy h TYR 40 Ca 0.17 -0.21 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 1lqy h TYR 40 Cb 0.19 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 1lqy h TYR 40 CO 0.01 0.92 0.15 0.28 -1.64 0.00 0.00 178.16 177.88 1lqy h VAL 41 N 0.45 1.13 0.22 1.81 2.07 -0.93 0.19 116.25 121.18 1lqy h VAL 41 Ca 0.07 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1lqy h VAL 41 Cb 0.73 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1lqy h VAL 41 CO 0.05 0.13 -0.10 0.11 0.02 0.00 0.00 177.57 177.78 1lqy h LYS 42 N 0.34 -0.28 -0.81 1.57 1.57 -1.25 -3.19 116.57 114.52 1lqy h LYS 42 Ca 0.10 0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 1lqy h LYS 42 Cb 0.08 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 1lqy h LYS 42 CO -0.02 -0.16 0.35 1.98 -0.57 0.00 0.00 179.45 181.04 1lqy h MET 43 N -0.33 1.20 0.00 3.15 4.05 -0.95 -2.77 114.93 119.28 1lqy h MET 43 Ca -0.03 -0.20 0.00 0.00 -0.28 0.00 0.00 59.70 59.19 1lqy h MET 43 Cb 0.25 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 30.85 1lqy h MET 43 CO 0.05 0.95 0.04 0.66 0.23 0.00 0.00 176.91 178.83 1lqy h SER 44 N 1.17 0.00 0.12 1.39 4.64 -0.61 -1.18 113.55 119.08 1lqy h SER 44 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1lqy h SER 44 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1lqy h SER 44 CO -0.03 0.00 -0.10 0.00 -0.87 0.00 0.00 176.83 175.83 1lqy n GLN 45 N -2.91 1.23 -3.52 4.77 6.02 -1.05 -3.68 117.38 118.24 1lqy n GLN 45 Ca -0.03 -0.67 -0.42 0.00 -0.01 0.00 0.00 57.00 55.88 1lqy n GLN 45 Cb 0.10 -1.49 -0.11 0.00 1.02 0.00 0.00 30.24 29.77 1lqy n GLN 45 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1lqy s ASP 46 N -2.23 5.95 0.56 1.08 -1.08 -0.44 -4.96 116.67 115.54 1lqy s ASP 46 Ca 0.33 -0.85 0.24 0.00 -0.52 0.00 0.00 52.55 51.75 1lqy s ASP 46 Cb 0.20 -2.10 1.53 0.00 -1.46 0.00 0.00 42.92 41.09 1lqy s ASP 46 CO 0.42 -0.39 2.13 -0.65 0.52 0.00 0.00 175.17 177.20 1lqy h PRO 47 N 8.53 0.00 -0.14 4.34 0.11 -1.84 0.73 132.00 143.73 1lqy h PRO 47 Ca -0.27 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.72 1lqy h PRO 47 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1lqy h PRO 47 CO 0.69 0.00 -0.35 0.93 -0.21 0.00 0.00 178.00 179.06 1lqy h GLU 48 N 0.00 0.49 -0.47 1.05 4.39 -1.93 -2.35 114.58 115.77 1lqy h GLU 48 Ca 0.07 -0.34 -0.10 0.00 0.34 0.00 0.00 59.36 59.33 1lqy h GLU 48 Cb 0.33 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 1lqy h GLU 48 CO -0.00 0.95 -0.10 -0.07 -1.16 0.00 0.00 179.01 178.63 1lqy h LEU 49 N 0.11 0.84 -0.87 1.33 3.38 -1.54 -1.15 115.31 117.41 1lqy h LEU 49 Ca -0.00 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1lqy h LEU 49 Cb 0.96 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 1lqy h LEU 49 CO 0.08 0.96 0.46 0.00 0.09 0.00 0.00 178.44 180.03 1lqy h ALA 50 N 1.11 1.12 -0.25 1.53 0.00 -0.88 -1.51 119.26 120.38 1lqy h ALA 50 Ca 0.13 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 1lqy h ALA 50 Cb 0.61 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1lqy h ALA 50 CO 0.04 0.65 -0.57 0.00 0.00 0.00 0.00 179.25 179.36 1lqy h ALA 51 N 1.25 0.51 -0.26 0.00 0.00 -1.20 0.62 119.26 120.17 1lqy h ALA 51 Ca 0.30 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1lqy h ALA 51 Cb 0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1lqy h ALA 51 CO -0.04 0.69 0.08 -0.22 0.00 0.00 0.00 179.25 179.75 1lqy h LYS 52 N 0.60 0.41 -0.24 0.00 3.64 -0.92 -3.27 116.57 116.78 1lqy h LYS 52 Ca 0.01 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1lqy h LYS 52 Cb 1.17 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1lqy h LYS 52 CO 0.12 0.48 0.00 0.66 -2.27 0.00 0.00 179.45 178.44 1lqy n TYR 53 N -4.73 0.30 -2.44 1.91 4.02 -0.59 -5.00 117.16 110.62 1lqy n TYR 53 Ca -0.03 -0.17 -0.07 0.00 -0.01 0.00 0.00 57.90 57.62 1lqy n TYR 53 Cb 0.16 -0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.51 1lqy n TYR 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1lqy n GLY 54 N 1.28 -0.05 3.58 2.72 0.00 -0.33 -4.67 105.19 107.72 1lqy n GLY 54 Ca 0.16 0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 1lqy n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lqy s LEU 55 N -4.14 2.96 -0.08 0.99 1.43 0.06 -1.24 118.68 118.67 1lqy s LEU 55 Ca 0.16 -0.73 0.05 0.00 -1.03 0.00 0.00 54.13 52.58 1lqy s LEU 55 Cb -0.02 -1.53 -0.01 0.00 0.03 0.00 0.00 46.19 44.66 1lqy s LEU 55 CO 0.36 0.04 -0.25 -0.13 0.23 0.00 0.00 176.35 176.60 1lqy s ARG 56 N -3.40 2.76 0.09 1.70 0.52 -1.26 -4.65 118.95 114.71 1lqy s ARG 56 Ca 0.29 -0.89 -0.33 0.00 -0.52 0.00 0.00 55.73 54.28 1lqy s ARG 56 Cb -0.07 -2.22 -0.12 0.00 0.52 0.00 0.00 34.95 33.06 1lqy s ARG 56 CO 0.17 0.30 1.74 -0.35 0.02 0.00 0.00 175.30 177.18 1lqy n PRO 57 N 3.18 2.38 -4.12 3.54 -0.04 -1.24 -4.87 135.00 133.83 1lqy n PRO 57 Ca -0.18 0.86 -0.15 0.00 -0.04 0.00 0.00 63.50 64.00 1lqy n PRO 57 Cb 0.52 -2.69 -0.14 0.00 -0.04 0.00 0.00 33.50 31.15 1lqy n PRO 57 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1lqy s GLY 58 N 2.27 0.30 0.00 0.55 0.00 -1.26 -5.01 107.32 104.18 1lqy s GLY 58 Ca 0.83 -0.35 0.23 0.00 0.00 0.00 0.00 44.72 45.43 1lqy s GLY 58 CO 0.41 -0.34 1.40 0.29 0.00 0.00 0.00 173.10 174.86 1lqy n ILE 59 N 2.56 0.41 -3.47 0.90 -5.35 -1.26 -4.73 119.36 108.42 1lqy n ILE 59 Ca -0.15 -0.68 -0.12 0.00 -0.27 0.00 0.00 62.75 61.53 1lqy n ILE 59 Cb 0.57 1.01 -0.03 0.00 -1.74 0.00 0.00 39.64 39.46 1lqy n ILE 59 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1lqy s GLY 60 N -1.57 -0.55 -0.08 3.28 0.00 -1.26 -1.48 107.32 105.66 1lqy s GLY 60 Ca 0.37 0.85 -0.21 0.00 0.00 0.00 0.00 44.72 45.72 1lqy s GLY 60 CO 0.31 0.36 0.49 -2.27 0.00 0.00 0.00 173.10 172.00 1lqy s LEU 61 N -2.38 0.10 0.07 0.66 2.96 -0.10 -4.98 118.68 115.00 1lqy s LEU 61 Ca 0.01 0.59 0.08 0.00 -0.22 0.00 0.00 54.13 54.59 1lqy s LEU 61 Cb -0.01 1.84 -0.03 0.00 0.50 0.00 0.00 46.19 48.49 1lqy s LEU 61 CO -0.08 -0.42 -0.23 0.00 -1.32 0.00 0.00 176.35 174.30 1lqy s ALA 62 N -0.79 1.95 0.25 5.97 0.00 -1.26 -0.72 121.76 127.17 1lqy s ALA 62 Ca -0.09 -1.19 -0.04 0.00 0.00 0.00 0.00 51.96 50.64 1lqy s ALA 62 Cb -0.03 -0.36 0.50 0.00 0.00 0.00 0.00 23.12 23.23 1lqy s ALA 62 CO 0.05 0.44 1.66 0.00 0.00 0.00 0.00 175.76 177.91 1lqy h ALA 63 N 4.58 0.97 -0.06 0.00 0.00 -1.51 -0.09 119.26 123.15 1lqy h ALA 63 Ca -0.45 0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.67 1lqy h ALA 63 Cb 1.16 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 1lqy h ALA 63 CO 0.42 -0.39 0.34 -1.35 0.00 0.00 0.00 179.25 178.28 1lqy h PRO 64 N 0.21 0.00 0.00 0.00 0.11 -1.53 -0.81 132.00 129.99 1lqy h PRO 64 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 1lqy h PRO 64 Cb 0.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1lqy h PRO 64 CO -0.58 0.00 0.00 1.96 -0.21 0.00 0.00 178.00 179.17 1lqy h GLN 65 N 0.00 0.00 -0.53 1.05 4.20 -1.30 -2.04 115.11 116.49 1lqy h GLN 65 Ca 0.03 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.51 1lqy h GLN 65 Cb 0.71 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 28.36 1lqy h GLN 65 CO -0.00 0.00 0.14 0.44 -0.67 0.00 0.00 178.83 178.74 1lqy n ILE 66 N -3.06 2.71 -3.12 2.54 -5.35 -0.37 -0.63 119.36 112.08 1lqy n ILE 66 Ca 0.02 -2.27 -0.21 0.00 -0.27 0.00 0.00 62.75 60.02 1lqy n ILE 66 Cb 0.37 -0.35 0.05 0.00 -1.74 0.00 0.00 39.64 37.97 1lqy n ILE 66 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1lqy n ASN 67 N -0.89 -5.82 -4.01 7.28 4.05 -0.77 -4.93 115.26 110.18 1lqy n ASN 67 Ca 0.38 -0.33 -0.31 0.00 0.45 0.00 0.00 54.58 54.77 1lqy n ASN 67 Cb 1.20 -4.59 -0.15 0.00 1.23 0.00 0.00 39.78 37.47 1lqy n ASN 67 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1lqy s VAL 68 N -3.18 2.05 -1.43 3.44 1.01 -0.83 -4.98 120.40 116.49 1lqy s VAL 68 Ca 0.35 -1.90 -0.11 0.00 0.00 0.00 0.00 61.98 60.32 1lqy s VAL 68 Cb -0.16 -2.37 -0.06 0.00 0.00 0.00 0.00 36.38 33.80 1lqy s VAL 68 CO 0.44 -0.35 2.60 -0.24 0.00 0.00 0.00 175.10 177.55 1lqy n SER 69 N 4.40 6.62 -4.16 3.32 2.88 -1.26 -1.66 113.62 123.76 1lqy n SER 69 Ca -0.05 -2.61 -0.14 0.00 -1.33 0.00 0.00 58.87 54.75 1lqy n SER 69 Cb 0.42 -1.49 -0.11 0.00 -0.75 0.00 0.00 64.21 62.28 1lqy n SER 69 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1lqy s LYS 70 N 2.78 0.81 -1.21 -1.46 1.02 -1.26 -1.55 119.74 118.88 1lqy s LYS 70 Ca 0.59 -1.12 -0.18 0.00 0.02 0.00 0.00 55.97 55.28 1lqy s LYS 70 Cb 0.16 -0.50 0.10 0.00 -0.52 0.00 0.00 37.83 37.07 1lqy s LYS 70 CO -0.05 0.08 1.57 1.03 -0.92 0.00 0.00 175.35 177.05 1lqy s ARG 71 N -2.70 3.93 -0.02 1.68 0.52 -0.46 -4.41 118.95 117.50 1lqy s ARG 71 Ca 0.04 -2.02 0.01 0.00 -0.52 0.00 0.00 55.73 53.23 1lqy s ARG 71 Cb -0.03 -5.33 0.01 0.00 0.52 0.00 0.00 34.95 30.12 1lqy s ARG 71 CO -0.00 -2.08 -0.01 -1.64 0.02 0.00 0.00 175.30 171.59 1lqy s MET 72 N 3.47 0.27 0.03 3.54 -1.94 -1.26 -0.64 119.30 122.77 1lqy s MET 72 Ca 0.48 -0.01 -0.00 0.00 -1.71 0.00 0.00 55.69 54.45 1lqy s MET 72 Cb 0.01 -0.36 -0.03 0.00 2.01 0.00 0.00 34.83 36.46 1lqy s MET 72 CO 0.02 -0.04 -0.03 0.96 -0.01 0.00 0.00 175.02 175.92 1lqy s ILE 73 N 0.52 0.16 0.01 2.53 -4.36 -0.63 -1.60 121.20 117.82 1lqy s ILE 73 Ca -0.05 -1.30 0.04 0.00 -0.26 0.00 0.00 60.65 59.08 1lqy s ILE 73 Cb -0.08 -0.81 -0.01 0.00 1.25 0.00 0.00 42.46 42.81 1lqy s ILE 73 CO -0.01 -0.72 -0.13 0.00 0.24 0.00 0.00 174.94 174.32 1lqy s ALA 74 N -2.53 1.09 -0.01 2.27 0.00 0.10 -0.91 121.76 121.77 1lqy s ALA 74 Ca -0.06 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1lqy s ALA 74 Cb -0.02 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.89 1lqy s ALA 74 CO -0.05 0.24 0.01 0.08 0.00 0.00 0.00 175.76 176.04 1lqy s VAL 75 N -0.54 0.04 -0.37 0.00 1.01 0.11 -0.93 120.40 119.72 1lqy s VAL 75 Ca 0.03 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.13 1lqy s VAL 75 Cb -0.06 -0.12 0.16 0.00 0.00 0.00 0.00 36.38 36.36 1lqy s VAL 75 CO 0.00 0.07 0.40 -2.28 0.00 0.00 0.00 175.10 173.30 1lqy s HIS 76 N 0.63 -0.46 0.00 5.22 2.46 -0.55 0.43 115.29 123.03 1lqy s HIS 76 Ca -0.06 -0.66 -0.05 0.00 0.47 0.00 0.00 55.06 54.76 1lqy s HIS 76 Cb -0.08 -0.33 -0.00 0.00 -0.13 0.00 0.00 32.58 32.03 1lqy s HIS 76 CO -0.02 -0.99 0.09 0.54 -2.47 0.00 0.00 174.74 171.90 1lqy s VAL 77 N 1.54 0.08 -0.14 0.89 0.11 -0.52 -4.68 120.40 117.69 1lqy s VAL 77 Ca 0.16 -0.69 -0.04 0.00 -2.93 0.00 0.00 61.98 58.49 1lqy s VAL 77 Cb -0.14 -0.37 -0.03 0.00 -1.53 0.00 0.00 36.38 34.31 1lqy s VAL 77 CO -0.06 -0.38 -0.01 -0.89 -3.33 0.00 0.00 175.10 170.44 1lqy s THR 78 N -1.28 4.17 0.79 5.04 2.01 -1.26 0.30 115.64 125.41 1lqy s THR 78 Ca -0.14 -0.27 -0.10 0.00 0.31 0.00 0.00 61.69 61.49 1lqy s THR 78 Cb -0.08 -2.81 0.18 0.00 0.01 0.00 0.00 72.50 69.80 1lqy s THR 78 CO 0.01 0.52 1.08 -0.90 -0.69 0.00 0.00 174.62 174.64 1lqy n ASP 79 N 3.07 0.39 0.17 3.53 5.68 0.17 -4.90 116.55 124.67 1lqy n ASP 79 Ca -0.18 -1.58 0.13 0.00 -0.50 0.00 0.00 54.79 52.66 1lqy n ASP 79 Cb 0.53 -0.79 0.61 0.00 -1.14 0.00 0.00 41.12 40.32 1lqy n ASP 79 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1lqy h GLU 80 N 0.00 0.00 -0.51 0.11 9.09 -2.00 -1.21 114.58 120.06 1lqy h GLU 80 Ca -0.35 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.06 1lqy h GLU 80 Cb 1.04 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.14 1lqy h GLU 80 CO 0.28 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.43 1lqy n ASN 81 N -2.38 3.57 0.00 3.06 3.02 -1.26 -4.95 115.26 116.32 1lqy n ASN 81 Ca -0.00 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.56 1lqy n ASN 81 Cb 0.13 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 1lqy n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lqy n GLY 82 N 1.55 0.53 3.76 7.41 0.00 -0.46 -5.05 105.19 112.93 1lqy n GLY 82 Ca 0.21 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 1lqy n GLY 82 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1lqy s THR 83 N -2.00 5.06 0.04 2.61 2.01 -1.26 -4.80 115.64 117.29 1lqy s THR 83 Ca 0.00 1.04 -0.25 0.00 0.31 0.00 0.00 61.69 62.79 1lqy s THR 83 Cb 0.00 -3.84 -0.05 0.00 0.01 0.00 0.00 72.50 68.62 1lqy s THR 83 CO 0.00 0.40 0.75 -0.22 -0.69 0.00 0.00 174.62 174.86 1lqy s LEU 84 N 0.03 4.44 -0.27 4.42 2.96 -1.26 -0.65 118.68 128.34 1lqy s LEU 84 Ca 0.27 1.41 0.02 0.00 -0.22 0.00 0.00 54.13 55.62 1lqy s LEU 84 Cb -0.16 -3.20 0.07 0.00 0.50 0.00 0.00 46.19 43.40 1lqy s LEU 84 CO 0.13 0.02 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.82 1lqy s TYR 85 N -0.03 3.02 -0.17 5.38 1.51 0.15 -4.98 117.35 122.22 1lqy s TYR 85 Ca 0.38 -2.26 0.01 0.00 -1.01 0.00 0.00 57.07 54.18 1lqy s TYR 85 Cb -0.20 -2.03 0.03 0.00 -0.11 0.00 0.00 41.96 39.65 1lqy s TYR 85 CO 0.22 -0.86 -0.14 0.45 -1.11 0.00 0.00 175.55 174.11 1lqy s SER 86 N 1.18 2.93 -0.00 2.29 0.15 -1.26 -1.44 113.70 117.55 1lqy s SER 86 Ca -0.03 -0.61 -0.09 0.00 0.70 0.00 0.00 55.95 55.92 1lqy s SER 86 Cb -0.19 -1.24 0.01 0.00 -1.71 0.00 0.00 66.02 62.88 1lqy s SER 86 CO -0.07 -0.07 0.18 -0.31 1.20 0.00 0.00 173.24 174.17 1lqy s TYR 87 N 1.43 -0.02 -0.17 3.44 1.51 0.17 -4.98 117.35 118.73 1lqy s TYR 87 Ca 0.03 -0.02 -0.02 0.00 -1.01 0.00 0.00 57.07 56.05 1lqy s TYR 87 Cb -0.14 -0.01 0.05 0.00 -0.11 0.00 0.00 41.96 41.75 1lqy s TYR 87 CO -0.10 -0.31 0.01 0.00 -1.11 0.00 0.00 175.55 174.03 1lqy s ALA 88 N -1.33 1.12 0.02 3.71 0.00 -1.26 0.08 121.76 124.09 1lqy s ALA 88 Ca -0.14 -0.68 0.05 0.00 0.00 0.00 0.00 51.96 51.19 1lqy s ALA 88 Cb -0.07 -1.12 -0.02 0.00 0.00 0.00 0.00 23.12 21.92 1lqy s ALA 88 CO 0.02 -0.98 -0.16 -0.51 0.00 0.00 0.00 175.76 174.13 1lqy s LEU 89 N 1.80 2.11 -0.05 0.00 1.43 -0.09 -4.01 118.68 119.87 1lqy s LEU 89 Ca -0.00 -0.39 -0.09 0.00 -1.03 0.00 0.00 54.13 52.62 1lqy s LEU 89 Cb -0.16 -0.74 -0.05 0.00 0.03 0.00 0.00 46.19 45.27 1lqy s LEU 89 CO -0.07 0.12 0.25 -0.36 0.23 0.00 0.00 176.35 176.52 1lqy s PHE 90 N -0.63 3.63 -1.25 0.29 0.40 0.34 -1.61 117.98 119.14 1lqy s PHE 90 Ca 0.04 0.67 -0.13 0.00 -0.60 0.00 0.00 56.93 56.91 1lqy s PHE 90 Cb -0.07 -2.05 -0.00 0.00 0.51 0.00 0.00 43.02 41.41 1lqy s PHE 90 CO 0.01 0.68 0.63 0.09 0.70 0.00 0.00 175.22 177.33 1lqy n ASN 91 N 1.70 -3.12 -4.81 1.36 3.02 0.19 -1.91 115.26 111.69 1lqy n ASN 91 Ca -0.16 -1.03 -0.33 0.00 -0.03 0.00 0.00 54.58 53.03 1lqy n ASN 91 Cb 0.54 -3.13 -0.04 0.00 -0.61 0.00 0.00 39.78 36.53 1lqy n ASN 91 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1lqy s PRO 92 N -6.32 3.90 -0.19 3.52 0.04 -1.26 -4.46 135.00 130.23 1lqy s PRO 92 Ca 0.28 1.24 -0.17 0.00 0.04 0.00 0.00 61.00 62.39 1lqy s PRO 92 Cb -0.11 -2.12 0.05 0.00 0.04 0.00 0.00 34.50 32.37 1lqy s PRO 92 CO 0.88 -0.33 0.50 0.21 0.04 0.00 0.00 177.00 178.30 1lqy s LYS 93 N -3.37 0.57 -0.41 4.56 2.20 -0.38 -4.98 119.74 117.94 1lqy s LYS 93 Ca 0.65 0.72 -0.26 0.00 -0.36 0.00 0.00 55.97 56.71 1lqy s LYS 93 Cb -0.13 0.25 0.02 0.00 -1.51 0.00 0.00 37.83 36.46 1lqy s LYS 93 CO 0.20 -0.08 0.94 0.42 -0.36 0.00 0.00 175.35 176.48 1lqy s ILE 94 N 0.40 4.52 -0.62 5.43 1.01 -1.26 -1.51 121.20 129.17 1lqy s ILE 94 Ca -0.01 1.05 0.24 0.00 0.00 0.00 0.00 60.65 61.93 1lqy s ILE 94 Cb -0.04 -4.39 0.05 0.00 0.01 0.00 0.00 42.46 38.09 1lqy s ILE 94 CO -0.01 -0.67 1.31 -0.37 0.00 0.00 0.00 174.94 175.19 1lqy h VAL 95 N 5.94 0.00 -1.94 2.92 -1.51 -1.39 -3.48 116.25 116.79 1lqy h VAL 95 Ca -0.23 -0.52 0.08 0.00 -1.23 0.00 0.00 66.70 64.79 1lqy h VAL 95 Cb 1.08 1.10 -0.19 0.00 -2.13 0.00 0.00 31.29 31.15 1lqy h VAL 95 CO 1.01 0.00 0.48 -0.94 -1.23 0.00 0.00 177.57 176.89 1lqy s SER 96 N -4.31 -0.40 0.24 4.19 1.04 -1.23 -5.02 113.70 108.21 1lqy s SER 96 Ca 0.06 0.26 -0.16 0.00 0.48 0.00 0.00 55.95 56.59 1lqy s SER 96 Cb 0.13 0.37 0.01 0.00 0.10 0.00 0.00 66.02 66.63 1lqy s SER 96 CO 0.72 -0.50 0.55 -1.38 0.98 0.00 0.00 173.24 173.62 1lqy s HIS 97 N -2.01 0.08 0.62 5.02 -0.00 -1.26 -0.87 115.29 116.88 1lqy s HIS 97 Ca 0.00 -0.47 -0.12 0.00 -0.00 0.00 0.00 55.06 54.47 1lqy s HIS 97 Cb -0.01 0.38 -0.03 0.00 -0.00 0.00 0.00 32.58 32.92 1lqy s HIS 97 CO -0.02 -1.03 1.03 -1.54 -0.00 0.00 0.00 174.74 173.18 1lqy s SER 98 N -2.95 6.02 0.05 7.38 1.04 -0.32 -4.97 113.70 119.95 1lqy s SER 98 Ca 0.16 1.53 -0.07 0.00 0.48 0.00 0.00 55.95 58.05 1lqy s SER 98 Cb -0.02 -2.49 -0.30 0.00 0.10 0.00 0.00 66.02 63.31 1lqy s SER 98 CO 0.05 -1.01 1.06 0.58 0.98 0.00 0.00 173.24 174.90 1lqy h VAL 99 N -0.16 1.39 -3.82 5.02 2.07 -2.01 -3.44 116.25 115.30 1lqy h VAL 99 Ca -0.45 -2.93 -0.53 0.00 0.82 0.00 0.00 66.70 63.61 1lqy h VAL 99 Cb 1.20 2.94 0.09 0.00 -1.52 0.00 0.00 31.29 34.00 1lqy h VAL 99 CO 0.60 0.86 0.75 -1.58 0.02 0.00 0.00 177.57 178.23 1lqy s GLN 100 N -2.64 4.19 0.35 1.57 0.74 -1.26 -4.92 119.66 117.69 1lqy s GLN 100 Ca -0.06 2.46 0.08 0.00 0.05 0.00 0.00 55.36 57.89 1lqy s GLN 100 Cb 0.06 -3.01 -0.04 0.00 1.10 0.00 0.00 33.01 31.12 1lqy s GLN 100 CO 0.89 -0.45 0.19 -0.65 -0.55 0.00 0.00 175.29 174.73 1lqy s GLN 101 N -1.71 2.45 0.21 1.67 -0.21 -1.26 -1.25 119.66 119.56 1lqy s GLN 101 Ca 0.53 -1.51 -0.07 0.00 0.02 0.00 0.00 55.36 54.33 1lqy s GLN 101 Cb -0.45 -2.24 -0.02 0.00 1.00 0.00 0.00 33.01 31.30 1lqy s GLN 101 CO 0.57 0.07 0.30 0.00 -2.12 0.00 0.00 175.29 174.11 1lqy s TYR 103 N -4.07 -0.44 0.06 0.00 -0.85 -0.71 -0.73 117.35 110.61 1lqy s TYR 103 Ca 0.29 0.80 -0.30 0.00 -0.52 0.00 0.00 57.07 57.33 1lqy s TYR 103 Cb 0.03 0.43 -0.05 0.00 0.38 0.00 0.00 41.96 42.75 1lqy s TYR 103 CO 0.09 -0.37 1.06 -0.51 -1.52 0.00 0.00 175.55 174.30 1lqy s LEU 104 N -0.94 4.41 0.56 -3.49 1.02 -1.26 0.07 118.68 119.05 1lqy s LEU 104 Ca -0.03 1.85 0.35 0.00 0.02 0.00 0.00 54.13 56.32 1lqy s LEU 104 Cb -0.01 -3.58 1.51 0.00 0.02 0.00 0.00 46.19 44.13 1lqy s LEU 104 CO 0.02 -0.29 2.04 0.71 0.02 0.00 0.00 176.35 178.85 1lqy h THR 105 N 4.44 0.04 0.00 5.49 1.35 -0.81 -1.66 112.91 121.76 1lqy h THR 105 Ca -0.42 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 1lqy h THR 105 Cb 1.22 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 1lqy h THR 105 CO 0.76 0.01 -0.04 0.35 -0.25 0.00 0.00 175.52 176.36 1lqy n THR 106 N -3.12 0.16 -1.32 6.82 -2.24 -1.26 -4.93 114.28 108.39 1lqy n THR 106 Ca -0.00 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1lqy n THR 106 Cb 0.27 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 1lqy n THR 106 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1lqy n GLY 107 N 1.45 -2.43 3.40 3.38 0.00 -0.62 -4.87 105.19 105.50 1lqy n GLY 107 Ca 0.06 -1.62 -0.24 0.00 0.00 0.00 0.00 46.02 44.22 1lqy n GLY 107 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lqy s GLU 108 N -0.58 1.48 0.25 1.61 2.02 -1.26 -4.82 118.70 117.40 1lqy s GLU 108 Ca 0.00 -1.55 0.12 0.00 0.02 0.00 0.00 54.97 53.55 1lqy s GLU 108 Cb 0.00 -1.65 -0.05 0.00 0.10 0.00 0.00 34.13 32.54 1lqy s GLU 108 CO 0.00 0.34 -0.20 0.20 0.02 0.00 0.00 175.26 175.62 1lqy s GLY 109 N -2.89 1.82 -0.02 -1.39 0.00 -1.26 -4.83 107.32 98.75 1lqy s GLY 109 Ca 0.21 -1.78 0.03 0.00 0.00 0.00 0.00 44.72 43.18 1lqy s GLY 109 CO 0.10 -1.85 -0.09 0.00 0.00 0.00 0.00 173.10 171.26 1lqy h LEU 111 N 6.16 0.00 -0.38 0.00 4.07 -1.96 -1.62 115.31 121.58 1lqy h LEU 111 Ca -0.32 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.64 1lqy h LEU 111 Cb 1.17 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.91 1lqy h LEU 111 CO 0.49 0.05 -0.10 -1.20 -1.08 0.00 0.00 178.44 176.60 1lqy n SER 112 N -4.40 0.69 -4.17 -0.43 7.64 -1.26 -4.76 113.62 106.93 1lqy n SER 112 Ca -0.03 -0.85 -0.35 0.00 1.01 0.00 0.00 58.87 58.65 1lqy n SER 112 Cb 0.13 -0.02 -0.13 0.00 -1.01 0.00 0.00 64.21 63.18 1lqy n SER 112 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1lqy s VAL 113 N -2.33 3.05 -1.30 0.44 1.01 -0.61 -0.74 120.40 119.93 1lqy s VAL 113 Ca 0.32 -1.42 -0.06 0.00 0.00 0.00 0.00 61.98 60.82 1lqy s VAL 113 Cb 0.20 -2.78 0.14 0.00 0.00 0.00 0.00 36.38 33.95 1lqy s VAL 113 CO 0.44 -0.15 2.21 0.47 0.00 0.00 0.00 175.10 178.07 1lqy n ASP 114 N 4.63 7.23 0.00 3.32 8.00 -1.26 -4.54 116.55 133.92 1lqy n ASP 114 Ca -0.12 -3.16 0.00 0.00 0.71 0.00 0.00 54.79 52.22 1lqy n ASP 114 Cb 0.43 -1.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.15 1lqy n ASP 114 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1lqy n ARG 115 N 2.20 0.00 -2.04 -1.24 1.85 -1.26 -5.11 116.66 111.05 1lqy n ARG 115 Ca 0.55 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.98 1lqy n ARG 115 Cb 0.28 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.66 1lqy n ARG 115 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1lqy s ASP 116 N 0.00 6.69 -0.35 2.89 -1.08 -1.26 -4.96 116.67 118.60 1lqy s ASP 116 Ca 0.00 2.19 0.01 0.00 -0.52 0.00 0.00 52.55 54.23 1lqy s ASP 116 Cb 0.00 -2.53 0.09 0.00 -1.46 0.00 0.00 42.92 39.02 1lqy s ASP 116 CO 0.00 -0.91 0.08 -0.69 0.52 0.00 0.00 175.17 174.17 1lqy s VAL 117 N 3.99 2.68 0.57 1.11 1.01 -1.26 -5.10 120.40 123.39 1lqy s VAL 117 Ca 0.72 -2.08 -0.18 0.00 0.00 0.00 0.00 61.98 60.44 1lqy s VAL 117 Cb -0.32 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 1lqy s VAL 117 CO 0.28 -0.52 1.09 -2.16 0.00 0.00 0.00 175.10 173.80 1lqy s PRO 118 N 1.04 3.28 0.00 2.72 0.04 -1.26 -4.78 135.00 136.04 1lqy s PRO 118 Ca 0.06 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1lqy s PRO 118 Cb -0.20 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.32 1lqy s PRO 118 CO -0.06 -0.87 0.00 0.41 0.04 0.00 0.00 177.00 176.52 1lqy n GLY 119 N -0.33 3.30 3.72 0.56 0.00 -1.26 -4.92 105.19 106.26 1lqy n GLY 119 Ca 0.10 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 1lqy n GLY 119 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1lqy s TYR 120 N -2.52 3.53 -0.53 1.61 4.12 -0.64 -4.38 117.35 118.53 1lqy s TYR 120 Ca 0.00 1.46 -0.17 0.00 0.02 0.00 0.00 57.07 58.39 1lqy s TYR 120 Cb 0.00 -3.32 0.10 0.00 -1.52 0.00 0.00 41.96 37.23 1lqy s TYR 120 CO 0.00 -0.83 0.52 0.08 0.02 0.00 0.00 175.55 175.34 1lqy s VAL 121 N 0.72 5.12 0.16 0.71 1.01 -1.26 -4.25 120.40 122.61 1lqy s VAL 121 Ca 0.55 -1.21 -0.31 0.00 0.00 0.00 0.00 61.98 61.01 1lqy s VAL 121 Cb -0.28 -4.31 -0.09 0.00 0.00 0.00 0.00 36.38 31.71 1lqy s VAL 121 CO 0.30 -0.83 1.46 -0.76 0.00 0.00 0.00 175.10 175.27 1lqy s LEU 122 N 1.89 4.38 0.11 3.92 1.43 -0.99 -4.56 118.68 124.85 1lqy s LEU 122 Ca 0.06 2.48 0.01 0.00 -1.03 0.00 0.00 54.13 55.65 1lqy s LEU 122 Cb -0.27 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.32 1lqy s LEU 122 CO 0.05 -0.71 -0.03 -0.13 0.23 0.00 0.00 176.35 175.76 1lqy s ARG 123 N 0.84 0.88 0.30 1.70 1.81 0.09 -4.96 118.95 119.61 1lqy s ARG 123 Ca 0.65 -1.38 -0.28 0.00 -1.72 0.00 0.00 55.73 53.01 1lqy s ARG 123 Cb -0.40 -0.11 -0.09 0.00 -0.45 0.00 0.00 34.95 33.90 1lqy s ARG 123 CO 0.33 -0.09 1.04 0.71 -0.68 0.00 0.00 175.30 176.61 1lqy s TYR 124 N -3.72 3.62 0.29 -0.53 4.12 -1.26 0.42 117.35 120.27 1lqy s TYR 124 Ca 0.15 1.75 0.09 0.00 0.02 0.00 0.00 57.07 59.08 1lqy s TYR 124 Cb 0.06 -3.15 0.41 0.00 -1.52 0.00 0.00 41.96 37.76 1lqy s TYR 124 CO -0.03 -0.26 1.65 0.00 0.02 0.00 0.00 175.55 176.93 1lqy h ALA 125 N 3.54 1.04 -3.54 3.71 0.00 -1.43 -3.42 119.26 119.16 1lqy h ALA 125 Ca -0.47 -0.50 -0.27 0.00 0.00 0.00 0.00 54.91 53.67 1lqy h ALA 125 Cb 1.21 -0.09 -0.25 0.00 0.00 0.00 0.00 17.79 18.66 1lqy h ALA 125 CO 0.66 0.69 -0.74 1.03 0.00 0.00 0.00 179.25 180.90 1lqy s ARG 126 N -3.79 0.37 0.12 0.00 0.52 -1.26 -2.27 118.95 112.63 1lqy s ARG 126 Ca -0.02 -0.38 -0.07 0.00 -0.52 0.00 0.00 55.73 54.74 1lqy s ARG 126 Cb 0.13 -0.24 -0.01 0.00 0.52 0.00 0.00 34.95 35.35 1lqy s ARG 126 CO 0.76 0.05 0.19 0.96 0.02 0.00 0.00 175.30 177.29 1lqy s ILE 127 N -0.64 0.11 -0.10 1.52 -4.36 -0.29 -1.17 121.20 116.27 1lqy s ILE 127 Ca -0.04 -1.43 0.01 0.00 -0.26 0.00 0.00 60.65 58.93 1lqy s ILE 127 Cb -0.05 -1.67 0.02 0.00 1.25 0.00 0.00 42.46 42.01 1lqy s ILE 127 CO -0.00 -0.50 -0.12 -0.89 0.24 0.00 0.00 174.94 173.67 1lqy s THR 128 N -3.94 1.25 -0.04 8.37 2.01 -0.04 -0.98 115.64 122.27 1lqy s THR 128 Ca 0.13 -0.48 0.07 0.00 0.31 0.00 0.00 61.69 61.72 1lqy s THR 128 Cb 0.05 -1.19 -0.01 0.00 0.01 0.00 0.00 72.50 71.36 1lqy s THR 128 CO -0.04 0.40 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.35 1lqy s VAL 129 N 1.20 1.99 0.17 3.82 1.01 -0.17 -0.89 120.40 127.53 1lqy s VAL 129 Ca -0.04 -1.05 0.09 0.00 0.00 0.00 0.00 61.98 60.98 1lqy s VAL 129 Cb -0.14 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1lqy s VAL 129 CO -0.03 0.56 -0.11 0.42 0.00 0.00 0.00 175.10 175.93 1lqy s THR 130 N -0.33 3.11 -0.07 3.92 -4.23 -0.57 0.02 115.64 117.50 1lqy s THR 130 Ca 0.02 -1.62 -0.31 0.00 -1.18 0.00 0.00 61.69 58.59 1lqy s THR 130 Cb -0.12 -2.52 0.13 0.00 1.34 0.00 0.00 72.50 71.33 1lqy s THR 130 CO 0.02 -0.06 1.38 -0.83 -0.54 0.00 0.00 174.62 174.59 1lqy s GLY 131 N -2.67 -0.39 -0.07 3.99 0.00 -1.02 -1.25 107.32 105.91 1lqy s GLY 131 Ca 0.23 0.65 0.05 0.00 0.00 0.00 0.00 44.72 45.65 1lqy s GLY 131 CO 0.14 2.16 -0.22 -1.59 0.00 0.00 0.00 173.10 173.59 1lqy s THR 132 N -2.09 2.32 0.81 0.90 2.01 -0.80 -0.70 115.64 118.08 1lqy s THR 132 Ca 0.20 -0.97 -0.09 0.00 0.31 0.00 0.00 61.69 61.14 1lqy s THR 132 Cb 0.05 -1.87 0.13 0.00 0.01 0.00 0.00 72.50 70.81 1lqy s THR 132 CO -0.05 0.57 1.13 0.42 -0.69 0.00 0.00 174.62 176.00 1lqy s THR 133 N -0.18 2.12 0.64 -0.82 -4.23 -0.17 -0.51 115.64 112.50 1lqy s THR 133 Ca -0.02 -0.23 0.41 0.00 -1.18 0.00 0.00 61.69 60.67 1lqy s THR 133 Cb -0.14 -2.90 0.42 0.00 1.34 0.00 0.00 72.50 71.23 1lqy s THR 133 CO 0.03 0.00 2.34 -0.07 -0.54 0.00 0.00 174.62 176.39 1lqy h LEU 134 N -0.98 0.00 -2.94 4.79 3.38 -1.91 -1.04 115.31 116.60 1lqy h LEU 134 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1lqy h LEU 134 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1lqy h LEU 134 CO 0.48 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.11 1lqy n ASP 135 N -3.29 3.95 0.00 -0.43 3.85 -1.26 -4.95 116.55 114.42 1lqy n ASP 135 Ca -0.03 -2.21 0.00 0.00 -0.71 0.00 0.00 54.79 51.85 1lqy n ASP 135 Cb 0.08 -0.46 0.00 0.00 -1.35 0.00 0.00 41.12 39.39 1lqy n ASP 135 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1lqy n GLY 136 N 1.06 0.67 3.71 6.12 0.00 -0.40 -5.04 105.19 111.31 1lqy n GLY 136 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1lqy n GLY 136 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1lqy s GLU 137 N -0.23 4.51 -0.37 1.61 2.12 -1.26 -4.75 118.70 120.33 1lqy s GLU 137 Ca 0.00 1.46 -0.19 0.00 0.36 0.00 0.00 54.97 56.60 1lqy s GLU 137 Cb 0.00 -3.47 0.00 0.00 0.26 0.00 0.00 34.13 30.93 1lqy s GLU 137 CO 0.00 -0.13 0.57 -1.21 -0.54 0.00 0.00 175.26 173.95 1lqy s GLU 138 N 1.24 3.57 0.19 4.30 2.02 -1.26 -1.00 118.70 127.77 1lqy s GLU 138 Ca 0.52 -0.14 0.06 0.00 0.02 0.00 0.00 54.97 55.43 1lqy s GLU 138 Cb -0.21 -3.83 -0.04 0.00 0.10 0.00 0.00 34.13 30.14 1lqy s GLU 138 CO 0.26 -0.73 0.14 0.14 0.02 0.00 0.00 175.26 175.09 1lqy s VAL 139 N 2.55 4.39 -0.27 2.63 -7.23 0.12 -4.95 120.40 117.63 1lqy s VAL 139 Ca 0.21 -1.22 -0.00 0.00 -1.81 0.00 0.00 61.98 59.16 1lqy s VAL 139 Cb -0.15 -3.27 0.08 0.00 0.56 0.00 0.00 36.38 33.60 1lqy s VAL 139 CO 0.15 -0.18 0.04 -0.89 -0.31 0.00 0.00 175.10 173.90 1lqy s THR 140 N -1.87 1.11 -0.25 5.32 2.01 -1.26 -2.44 115.64 118.26 1lqy s THR 140 Ca 0.31 -1.25 -0.08 0.00 0.31 0.00 0.00 61.69 60.98 1lqy s THR 140 Cb -0.09 -1.66 -0.03 0.00 0.01 0.00 0.00 72.50 70.73 1lqy s THR 140 CO 0.23 -0.41 0.09 -0.76 -0.69 0.00 0.00 174.62 173.08 1lqy s LEU 141 N 1.54 3.56 -0.47 4.42 1.02 0.10 -4.93 118.68 123.93 1lqy s LEU 141 Ca 0.03 -0.16 -0.17 0.00 0.02 0.00 0.00 54.13 53.86 1lqy s LEU 141 Cb -0.18 -1.96 0.06 0.00 0.02 0.00 0.00 46.19 44.13 1lqy s LEU 141 CO -0.15 -0.02 0.46 -0.13 0.02 0.00 0.00 176.35 176.53 1lqy s ARG 142 N 1.56 3.03 0.25 1.70 0.52 -1.26 -0.99 118.95 123.75 1lqy s ARG 142 Ca 0.06 -1.15 0.10 0.00 -0.52 0.00 0.00 55.73 54.22 1lqy s ARG 142 Cb -0.15 -4.10 -0.04 0.00 0.52 0.00 0.00 34.95 31.17 1lqy s ARG 142 CO 0.05 -1.06 -0.07 -0.51 0.02 0.00 0.00 175.30 173.74 1lqy s LEU 143 N 1.97 3.02 0.23 2.53 1.43 -0.15 -4.99 118.68 122.71 1lqy s LEU 143 Ca 0.08 -0.70 -0.07 0.00 -1.03 0.00 0.00 54.13 52.40 1lqy s LEU 143 Cb -0.22 -1.58 -0.02 0.00 0.03 0.00 0.00 46.19 44.40 1lqy s LEU 143 CO 0.09 0.03 0.32 -1.59 0.23 0.00 0.00 176.35 175.43 1lqy s LYS 144 N -3.43 1.39 2.79 1.70 -2.85 -1.26 -1.13 119.74 116.96 1lqy s LYS 144 Ca 0.29 -1.43 0.00 0.00 -1.00 0.00 0.00 55.97 53.84 1lqy s LYS 144 Cb -0.07 0.38 0.00 0.00 -2.06 0.00 0.00 37.83 36.08 1lqy s LYS 144 CO 0.18 -0.53 0.00 0.41 0.10 0.00 0.00 175.35 175.51 1lqy n GLY 145 N -0.33 1.69 0.24 0.59 0.00 -0.96 -2.42 105.19 103.98 1lqy n GLY 145 Ca 0.00 -0.44 0.01 0.00 0.00 0.00 0.00 46.02 45.59 1lqy n GLY 145 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1lqy h LEU 146 N 0.00 0.16 -0.76 0.99 5.85 -1.96 0.14 115.31 119.73 1lqy h LEU 146 Ca 0.00 0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.86 1lqy h LEU 146 Cb 0.00 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 1lqy h LEU 146 CO 0.00 0.09 0.46 -0.65 -0.34 0.00 0.00 178.44 178.00 1lqy h PRO 147 N 0.36 0.83 -0.93 5.25 0.11 -1.91 -0.79 132.00 134.93 1lqy h PRO 147 Ca 0.32 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.38 1lqy h PRO 147 Cb 0.43 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 31.31 1lqy h PRO 147 CO -0.35 0.55 0.59 0.00 -0.21 0.00 0.00 178.00 178.59 1lqy h ALA 148 N 1.36 1.28 -0.38 -0.75 0.00 -0.68 -1.97 119.26 118.13 1lqy h ALA 148 Ca 0.33 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1lqy h ALA 148 Cb 0.13 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1lqy h ALA 148 CO -0.16 0.64 0.18 0.82 0.00 0.00 0.00 179.25 180.73 1lqy h ILE 149 N 1.28 1.17 -0.48 0.00 2.04 -0.64 -1.69 117.51 119.19 1lqy h ILE 149 Ca 0.34 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 1lqy h ILE 149 Cb -0.10 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 1lqy h ILE 149 CO -0.07 0.19 0.27 0.58 0.00 0.00 0.00 178.15 179.12 1lqy h VAL 150 N 0.47 1.17 -0.75 1.67 2.07 -0.64 -0.00 116.25 120.24 1lqy h VAL 150 Ca 0.13 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1lqy h VAL 150 Cb 0.13 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 1lqy h VAL 150 CO -0.02 0.18 0.46 -0.26 0.02 0.00 0.00 177.57 177.95 1lqy h PHE 151 N 0.64 0.98 -0.67 1.57 -1.00 -1.25 -1.26 116.94 115.95 1lqy h PHE 151 Ca 0.17 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.92 1lqy h PHE 151 Cb 0.04 -0.32 -0.03 0.00 3.61 0.00 0.00 35.95 39.25 1lqy h PHE 151 CO -0.02 0.65 0.28 1.96 -1.61 0.00 0.00 178.31 179.57 1lqy h GLN 152 N 1.02 0.98 -0.24 1.51 4.20 -0.76 0.76 115.11 122.59 1lqy h GLN 152 Ca 0.27 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1lqy h GLN 152 Cb -0.06 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.55 1lqy h GLN 152 CO -0.05 0.81 0.15 1.25 -0.67 0.00 0.00 178.83 180.32 1lqy h HIS 153 N 0.94 0.30 -0.26 2.96 2.76 -0.55 -0.06 115.15 121.24 1lqy h HIS 153 Ca 0.22 0.01 -0.18 0.00 -2.20 0.00 0.00 60.37 58.22 1lqy h HIS 153 Cb 0.18 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.04 1lqy h HIS 153 CO 0.01 0.20 -0.55 0.93 -1.30 0.00 0.00 177.93 177.22 1lqy h GLU 154 N 0.32 0.83 -0.34 5.26 4.39 -1.07 -2.80 114.58 121.17 1lqy h GLU 154 Ca 0.09 -0.55 -0.05 0.00 0.34 0.00 0.00 59.36 59.19 1lqy h GLU 154 Cb -0.03 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 1lqy h GLU 154 CO -0.02 1.17 0.00 0.82 -1.16 0.00 0.00 179.01 179.83 1lqy h ILE 155 N 0.59 1.19 -0.78 3.13 2.04 -0.75 -2.36 117.51 120.58 1lqy h ILE 155 Ca 0.00 -0.76 0.04 0.00 1.00 0.00 0.00 64.86 65.14 1lqy h ILE 155 Cb 1.16 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 38.13 1lqy h ILE 155 CO 0.12 0.26 0.49 0.44 0.00 0.00 0.00 178.15 179.46 1lqy h ASP 156 N 0.50 0.79 -0.77 1.72 3.32 -0.80 -0.89 116.42 120.29 1lqy h ASP 156 Ca 0.11 0.00 0.10 0.00 0.02 0.00 0.00 57.03 57.27 1lqy h ASP 156 Cb 0.32 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.65 1lqy h ASP 156 CO 0.01 0.53 0.50 0.45 -1.72 0.00 0.00 179.24 179.02 1lqy h HIS 157 N 0.93 0.71 0.00 4.55 3.86 -1.17 0.97 115.15 125.01 1lqy h HIS 157 Ca 0.32 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.55 1lqy h HIS 157 Cb 0.06 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.30 1lqy h HIS 157 CO -0.04 0.32 0.00 1.28 0.86 0.00 0.00 177.93 180.36 1lqy n LEU 158 N -4.50 0.54 -0.82 2.43 4.77 -0.35 -2.24 117.00 116.83 1lqy n LEU 158 Ca 0.13 0.63 0.07 0.00 -0.03 0.00 0.00 56.01 56.82 1lqy n LEU 158 Cb 0.36 -0.56 0.22 0.00 -2.33 0.00 0.00 43.42 41.11 1lqy n LEU 158 CO 0.32 -0.50 0.68 0.59 -1.33 0.00 0.00 177.39 177.15 1lqy n ASN 159 N -2.09 3.56 -1.69 -1.43 3.02 0.22 -1.08 115.26 115.76 1lqy n ASN 159 Ca 0.02 -2.61 -0.15 0.00 -0.03 0.00 0.00 54.58 51.82 1lqy n ASN 159 Cb 0.22 -0.43 -0.01 0.00 -0.61 0.00 0.00 39.78 38.96 1lqy n ASN 159 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lqy n GLY 160 N -0.07 -0.23 3.46 7.41 0.00 -0.92 -4.69 105.19 110.15 1lqy n GLY 160 Ca 0.18 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 1lqy n GLY 160 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1lqy s ILE 161 N -2.74 3.37 0.14 -0.61 1.01 -0.50 -4.58 121.20 117.29 1lqy s ILE 161 Ca 0.01 -0.57 0.05 0.00 0.00 0.00 0.00 60.65 60.14 1lqy s ILE 161 Cb -0.01 -2.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 1lqy s ILE 161 CO 0.01 0.55 0.11 -0.04 0.00 0.00 0.00 174.94 175.57 1lqy s MET 162 N -0.10 2.86 0.27 2.79 -1.94 -1.26 -3.46 119.30 118.46 1lqy s MET 162 Ca -0.00 -0.83 -0.01 0.00 -1.71 0.00 0.00 55.69 53.13 1lqy s MET 162 Cb -0.13 -2.65 0.50 0.00 2.01 0.00 0.00 34.83 34.55 1lqy s MET 162 CO 0.03 0.51 1.81 0.27 -0.01 0.00 0.00 175.02 177.63 1lqy h PHE 163 N 2.70 0.97 0.00 -0.03 -5.15 -1.98 -0.57 116.94 112.87 1lqy h PHE 163 Ca -0.47 0.03 0.00 0.00 -0.20 0.00 0.00 57.97 57.33 1lqy h PHE 163 Cb 1.19 -0.30 0.00 0.00 0.22 0.00 0.00 35.95 37.06 1lqy h PHE 163 CO 0.59 0.36 0.00 2.48 -2.00 0.00 0.00 178.31 179.74 1lqy n TYR 164 N -4.71 0.00 0.24 6.09 4.11 -1.26 -1.18 117.16 120.44 1lqy n TYR 164 Ca 0.17 0.00 0.12 0.00 -0.00 0.00 0.00 57.90 58.18 1lqy n TYR 164 Cb 0.35 -0.30 0.51 0.00 -0.00 0.00 0.00 39.34 39.90 1lqy n TYR 164 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.86 176.42 1lqy h ASP 165 N 0.00 0.00 -0.61 9.48 3.32 -1.50 -2.97 116.42 124.14 1lqy h ASP 165 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1lqy h ASP 165 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1lqy h ASP 165 CO 0.00 0.17 0.00 0.54 -1.72 0.00 0.00 179.24 178.23 1lqy n ARG 166 N -3.34 4.23 -3.88 3.56 1.74 -0.33 -4.90 116.66 113.74 1lqy n ARG 166 Ca 0.00 -3.01 -0.36 0.00 -0.77 0.00 0.00 57.85 53.70 1lqy n ARG 166 Cb 0.40 -2.06 -0.07 0.00 -1.02 0.00 0.00 32.46 29.71 1lqy n ARG 166 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1lqy s ILE 167 N -2.27 5.40 -0.02 0.55 1.01 -1.12 -2.35 121.20 122.39 1lqy s ILE 167 Ca 0.53 0.17 -0.32 0.00 0.00 0.00 0.00 60.65 61.03 1lqy s ILE 167 Cb 0.37 -3.37 -0.11 0.00 0.01 0.00 0.00 42.46 39.36 1lqy s ILE 167 CO 0.21 0.58 1.91 -3.20 0.00 0.00 0.00 174.94 174.44 1lqy n ASN 168 N 2.33 3.76 0.15 3.58 2.85 -1.26 -4.86 115.26 121.80 1lqy n ASN 168 Ca -0.19 0.95 0.13 0.00 -0.11 0.00 0.00 54.58 55.35 1lqy n ASN 168 Cb 0.54 -1.44 0.49 0.00 1.24 0.00 0.00 39.78 40.61 1lqy n ASN 168 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1lqy h PRO 169 N 9.69 0.00 0.00 1.20 0.13 -1.94 -3.14 132.00 137.94 1lqy h PRO 169 Ca -0.49 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.47 1lqy h PRO 169 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1lqy h PRO 169 CO 0.94 0.00 -0.93 0.00 -0.23 0.00 0.00 178.00 177.79 1lqy h ALA 170 N 2.28 0.19 -2.82 -0.56 0.00 -2.05 -3.45 119.26 112.85 1lqy h ALA 170 Ca 0.00 -1.02 -0.49 0.00 0.00 0.00 0.00 54.91 53.40 1lqy h ALA 170 Cb 0.48 0.54 -0.40 0.00 0.00 0.00 0.00 17.79 18.41 1lqy h ALA 170 CO 0.00 0.52 -0.76 0.34 0.00 0.00 0.00 179.25 179.35 1lqy s ASP 171 N -6.69 3.01 0.59 0.00 -1.08 -1.25 -5.03 116.67 106.23 1lqy s ASP 171 Ca -0.26 -1.02 0.29 0.00 -0.52 0.00 0.00 52.55 51.04 1lqy s ASP 171 Cb 0.03 -0.24 1.55 0.00 -1.46 0.00 0.00 42.92 42.80 1lqy s ASP 171 CO 0.62 -0.41 1.97 1.55 0.52 0.00 0.00 175.17 179.42 1lqy h PRO 172 N 8.40 0.00 -0.66 4.34 0.13 -1.86 -1.21 132.00 141.14 1lqy h PRO 172 Ca -0.18 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.75 1lqy h PRO 172 Cb 1.06 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.07 1lqy h PRO 172 CO 0.38 0.00 0.22 1.19 -0.23 0.00 0.00 178.00 179.57 1lqy n PHE 173 N -3.69 2.19 -1.65 1.56 3.01 -1.26 -1.63 117.46 115.99 1lqy n PHE 173 Ca 0.05 -1.23 -0.46 0.00 1.01 0.00 0.00 57.45 56.82 1lqy n PHE 173 Cb 0.54 -0.64 -0.03 0.00 -0.01 0.00 0.00 39.48 39.33 1lqy n PHE 173 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 1lqy n GLN 174 N -0.33 1.90 -3.24 -1.08 -0.06 -0.46 -4.90 117.38 109.22 1lqy n GLN 174 Ca 0.39 0.68 -0.43 0.00 -2.00 0.00 0.00 57.00 55.64 1lqy n GLN 174 Cb 1.31 -2.35 -0.08 0.00 -4.06 0.00 0.00 30.24 25.07 1lqy n GLN 174 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 1lqy s VAL 175 N 0.23 4.99 -0.04 1.69 1.01 -1.26 -4.94 120.40 122.08 1lqy s VAL 175 Ca 0.73 -0.27 -0.30 0.00 0.00 0.00 0.00 61.98 62.14 1lqy s VAL 175 Cb -0.70 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 31.51 1lqy s VAL 175 CO 0.47 -0.54 1.18 -2.16 0.00 0.00 0.00 175.10 174.05 1lqy s PRO 176 N 2.39 4.37 -0.19 2.72 0.05 -1.26 -4.95 135.00 138.13 1lqy s PRO 176 Ca 0.15 1.66 -0.34 0.00 0.05 0.00 0.00 61.00 62.52 1lqy s PRO 176 Cb -0.17 -3.52 -0.11 0.00 0.05 0.00 0.00 34.50 30.75 1lqy s PRO 176 CO 0.15 -0.40 2.00 -3.47 0.05 0.00 0.00 177.00 175.33 1lqy n ASP 177 N 4.96 3.01 0.00 6.66 -0.08 -1.26 -1.76 116.55 128.08 1lqy n ASP 177 Ca 0.10 0.73 0.00 0.00 -1.51 0.00 0.00 54.79 54.12 1lqy n ASP 177 Cb 0.47 -1.35 0.00 0.00 2.34 0.00 0.00 41.12 42.58 1lqy n ASP 177 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1lqy n GLY 178 N 5.13 1.91 3.76 0.27 0.00 -1.26 -5.04 105.19 109.96 1lqy n GLY 178 Ca 0.29 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.91 1lqy n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lqy s ALA 179 N -2.34 3.34 -0.43 4.61 0.00 -0.72 -4.75 121.76 121.47 1lqy s ALA 179 Ca 0.00 0.91 -0.25 0.00 0.00 0.00 0.00 51.96 52.62 1lqy s ALA 179 Cb 0.00 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.80 1lqy s ALA 179 CO 0.00 -0.25 0.88 0.42 0.00 0.00 0.00 175.76 176.81 1lqy s ILE 180 N -1.26 4.56 0.12 0.00 1.01 0.13 -4.93 121.20 120.82 1lqy s ILE 180 Ca 0.48 0.80 -0.28 0.00 0.00 0.00 0.00 60.65 61.66 1lqy s ILE 180 Cb -0.31 -4.36 -0.06 0.00 0.01 0.00 0.00 42.46 37.73 1lqy s ILE 180 CO 0.40 -0.70 0.87 -2.16 0.00 0.00 0.00 174.94 173.35 1lqy s PRO 181 N 3.53 4.64 -0.17 2.79 0.05 -1.26 -1.74 135.00 142.84 1lqy s PRO 181 Ca 0.35 1.29 -0.00 0.00 0.05 0.00 0.00 61.00 62.69 1lqy s PRO 181 Cb -0.11 -3.34 0.00 0.00 0.05 0.00 0.00 34.50 31.10 1lqy s PRO 181 CO 0.23 0.33 -0.15 0.42 0.05 0.00 0.00 177.00 177.88 1lqy s ILE 182 N -0.35 2.59 0.00 0.56 1.01 0.11 -4.91 121.20 120.21 1lqy s ILE 182 Ca 0.42 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 60.29 1lqy s ILE 182 Cb -0.23 -2.10 0.00 0.00 0.01 0.00 0.00 42.46 40.14 1lqy s ILE 182 CO 0.27 0.51 0.00 0.61 0.00 0.00 0.00 174.94 176.33 1lqy n GLY 183 N 4.35 2.74 0.64 6.18 0.00 -1.26 -0.02 105.19 117.81 1lqy n GLY 183 Ca -0.19 0.13 0.08 0.00 0.00 0.00 0.00 46.02 46.04 1lqy n GLY 183 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19