#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lby n ASP 2 N 0.00 2.01 -0.07 6.12 3.85 -1.26 -5.00 116.55 122.19 1lby n ASP 2 Ca 0.00 -1.58 -0.12 0.00 -0.71 0.00 0.00 54.79 52.37 1lby n ASP 2 Cb 0.00 0.05 -0.05 0.00 -1.35 0.00 0.00 41.12 39.77 1lby n ASP 2 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1lby h GLU 3 N 0.00 0.47 -0.61 0.11 5.08 -1.98 0.82 114.58 118.47 1lby h GLU 3 Ca -0.11 -0.21 0.03 0.00 -1.00 0.00 0.00 59.36 58.07 1lby h GLU 3 Cb 0.36 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 1lby h GLU 3 CO 0.18 0.76 0.37 0.07 -1.00 0.00 0.00 179.01 179.39 1lby h ARG 4 N 0.17 0.70 -0.97 2.33 0.11 -1.98 1.42 114.38 116.16 1lby h ARG 4 Ca 0.05 -0.04 0.07 0.00 0.10 0.00 0.00 59.98 60.15 1lby h ARG 4 Cb 0.63 -0.16 -0.07 0.00 1.11 0.00 0.00 29.97 31.49 1lby h ARG 4 CO 0.04 0.46 0.62 -0.44 0.10 0.00 0.00 179.97 180.74 1lby h ASP 5 N 0.72 0.98 -0.52 0.08 3.32 -1.93 0.16 116.42 119.23 1lby h ASP 5 Ca 0.25 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.24 1lby h ASP 5 Cb 0.05 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1lby h ASP 5 CO -0.11 0.61 0.04 0.00 -1.72 0.00 0.00 179.24 178.06 1lby h ALA 6 N 1.45 0.69 -0.35 3.45 0.00 0.31 -0.41 119.26 124.40 1lby h ALA 6 Ca 0.42 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1lby h ALA 6 Cb 0.20 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1lby h ALA 6 CO -0.18 0.47 -0.09 1.25 0.00 0.00 0.00 179.25 180.70 1lby h LEU 7 N 0.76 0.56 -0.14 0.00 5.85 0.25 -1.00 115.31 121.59 1lby h LEU 7 Ca 0.15 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 1lby h LEU 7 Cb 0.47 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 1lby h LEU 7 CO 0.02 0.69 -0.12 -0.09 -0.34 0.00 0.00 178.44 178.60 1lby h ARG 8 N 0.54 0.33 -0.47 1.25 2.43 -0.44 -2.41 114.38 115.62 1lby h ARG 8 Ca 0.10 -0.17 -0.08 0.00 -0.81 0.00 0.00 59.98 59.02 1lby h ARG 8 Cb 0.48 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 1lby h ARG 8 CO 0.03 0.71 -0.02 0.82 -1.51 0.00 0.00 179.97 180.00 1lby h ILE 9 N -0.04 1.26 -0.57 1.20 2.04 -0.94 -2.29 117.51 118.18 1lby h ILE 9 Ca 0.02 -1.09 -0.02 0.00 1.00 0.00 0.00 64.86 64.77 1lby h ILE 9 Cb 0.64 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 1lby h ILE 9 CO 0.03 0.38 0.26 0.28 0.00 0.00 0.00 178.15 179.10 1lby h SER 10 N 0.69 0.76 -0.24 1.72 0.02 -1.20 0.16 113.55 115.46 1lby h SER 10 Ca 0.13 -0.14 -0.06 0.00 -0.84 0.00 0.00 61.79 60.88 1lby h SER 10 Cb 0.53 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 1lby h SER 10 CO 0.03 0.69 -0.03 0.03 -1.14 0.00 0.00 176.83 176.41 1lby h ARG 11 N 0.77 0.57 -0.44 3.45 3.08 -1.38 0.45 114.38 120.87 1lby h ARG 11 Ca 0.19 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 1lby h ARG 11 Cb 0.14 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1lby h ARG 11 CO -0.02 0.61 0.11 1.49 -1.07 0.00 0.00 179.97 181.09 1lby h GLU 12 N 0.54 0.71 -0.09 0.04 4.81 -0.73 -1.42 114.58 118.44 1lby h GLU 12 Ca 0.11 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1lby h GLU 12 Cb 0.39 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 1lby h GLU 12 CO 0.02 0.71 0.06 0.82 -0.73 0.00 0.00 179.01 179.88 1lby h ILE 13 N 0.58 1.04 -0.70 2.32 2.04 -0.01 -2.87 117.51 119.91 1lby h ILE 13 Ca 0.14 -0.08 0.14 0.00 1.00 0.00 0.00 64.86 66.06 1lby h ILE 13 Cb 0.32 0.93 -0.10 0.00 -0.74 0.00 0.00 36.82 37.23 1lby h ILE 13 CO 0.00 0.03 0.20 0.00 0.00 0.00 0.00 178.15 178.39 1lby h ALA 14 N 1.02 0.91 -0.57 1.87 0.00 0.26 -1.00 119.26 121.74 1lby h ALA 14 Ca 0.03 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1lby h ALA 14 Cb 0.00 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1lby h ALA 14 CO -0.01 -0.28 0.25 0.78 0.00 0.00 0.00 179.25 179.99 1lby h GLY 15 N 0.33 0.91 0.68 0.00 0.00 -1.16 -1.50 103.07 102.31 1lby h GLY 15 Ca 0.38 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 1lby h GLY 15 CO -0.44 0.45 -0.14 -2.09 0.00 0.00 0.00 176.54 174.33 1lby h GLU 16 N 0.78 -0.37 -0.55 4.80 4.81 -1.01 -2.37 114.58 120.68 1lby h GLU 16 Ca 0.19 0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.53 1lby h GLU 16 Cb 0.17 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.56 1lby h GLU 16 CO -0.02 -0.05 0.18 0.28 -0.73 0.00 0.00 179.01 178.67 1lby h VAL 17 N -0.71 0.78 -0.45 0.32 2.07 -1.32 -1.04 116.25 115.89 1lby h VAL 17 Ca -0.04 -0.12 0.09 0.00 0.82 0.00 0.00 66.70 67.45 1lby h VAL 17 Cb 0.48 0.39 -0.09 0.00 -1.52 0.00 0.00 31.29 30.56 1lby h VAL 17 CO 0.06 0.06 -0.17 -0.09 0.02 0.00 0.00 177.57 177.46 1lby h ARG 18 N 0.35 -0.07 -0.04 1.57 2.43 -1.12 -1.90 114.38 115.61 1lby h ARG 18 Ca 0.27 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1lby h ARG 18 Cb 0.33 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1lby h ARG 18 CO -0.29 -0.04 0.02 0.87 -1.51 0.00 0.00 179.97 179.02 1lby h LYS 19 N -0.07 0.05 -0.35 0.20 1.57 -0.92 -1.58 116.57 115.47 1lby h LYS 19 Ca 0.22 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.02 1lby h LYS 19 Cb 0.40 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 1lby h LYS 19 CO -0.50 0.09 0.16 0.00 -0.57 0.00 0.00 179.45 178.63 1lby h ALA 20 N 0.96 0.42 -0.05 3.86 0.00 -0.63 -2.76 119.26 121.06 1lby h ALA 20 Ca 0.01 0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.72 1lby h ALA 20 Cb 0.05 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.82 1lby h ALA 20 CO -0.00 -0.22 -0.89 0.82 0.00 0.00 0.00 179.25 178.95 1lby h ILE 21 N 0.33 1.33 -0.67 0.00 1.08 -1.40 -3.21 117.51 114.97 1lby h ILE 21 Ca 0.15 -2.22 0.07 0.00 -0.39 0.00 0.00 64.86 62.47 1lby h ILE 21 Cb 0.09 2.24 -0.04 0.00 -3.07 0.00 0.00 36.82 36.04 1lby h ILE 21 CO -0.12 0.68 0.44 0.00 -0.69 0.00 0.00 178.15 178.46 1lby h ALA 22 N 0.65 1.78 -0.25 1.87 0.00 -1.17 -2.25 119.26 119.88 1lby h ALA 22 Ca -0.08 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 1lby h ALA 22 Cb 1.52 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1lby h ALA 22 CO 0.17 0.11 -0.50 0.66 0.00 0.00 0.00 179.25 179.68 1lby h SER 23 N 0.66 0.88 -2.78 0.00 4.64 -1.49 -3.44 113.55 112.01 1lby h SER 23 Ca 0.29 -0.54 -0.58 0.00 -0.47 0.00 0.00 61.79 60.49 1lby h SER 23 Cb 0.30 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.11 1lby h SER 23 CO -0.09 1.26 1.23 -0.32 -0.87 0.00 0.00 176.83 178.04 1lby s MET 24 N -4.08 3.41 0.73 4.77 0.00 -0.85 -5.00 119.30 118.28 1lby s MET 24 Ca -0.11 1.36 -0.15 0.00 0.00 0.00 0.00 55.69 56.79 1lby s MET 24 Cb 0.09 -4.16 0.04 0.00 0.00 0.00 0.00 34.83 30.80 1lby s MET 24 CO 0.87 -1.77 1.19 -2.14 0.00 0.00 0.00 175.02 173.17 1lby s PRO 25 N 5.48 2.14 0.31 4.11 0.02 -1.26 -4.73 135.00 141.06 1lby s PRO 25 Ca 0.76 1.71 0.07 0.00 0.02 0.00 0.00 61.00 63.57 1lby s PRO 25 Cb -0.21 -1.84 0.86 0.00 0.02 0.00 0.00 34.50 33.33 1lby s PRO 25 CO 0.33 -1.83 1.67 -0.07 -0.33 0.00 0.00 177.00 176.78 1lby h LEU 26 N -0.36 0.33 -0.53 -5.54 3.38 -1.90 -1.36 115.31 109.32 1lby h LEU 26 Ca -0.47 0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1lby h LEU 26 Cb 1.29 0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.20 1lby h LEU 26 CO 0.50 -0.08 0.00 0.03 0.09 0.00 0.00 178.44 178.98 1lby h ARG 27 N 0.34 0.00 0.04 1.13 -0.00 -1.90 -2.17 114.38 111.82 1lby h ARG 27 Ca 0.62 0.00 -0.18 0.00 -0.50 0.00 0.00 59.98 59.93 1lby h ARG 27 Cb 1.29 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.25 1lby h ARG 27 CO -0.59 0.00 -0.92 1.49 0.00 0.00 0.00 179.97 179.95 1lby h GLU 28 N 0.00 0.09 -0.98 0.04 4.57 -1.62 -3.37 114.58 113.31 1lby h GLU 28 Ca 0.00 -0.15 0.20 0.00 -1.18 0.00 0.00 59.36 58.23 1lby h GLU 28 Cb 0.60 0.06 -0.09 0.00 -0.16 0.00 0.00 28.75 29.15 1lby h GLU 28 CO 0.00 1.07 0.61 0.00 -1.18 0.00 0.00 179.01 179.52 1lby h ARG 29 N -0.76 0.63 0.00 1.92 3.08 -0.95 -2.15 114.38 116.15 1lby h ARG 29 Ca -0.23 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.79 1lby h ARG 29 Cb 1.37 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1lby h ARG 29 CO -0.05 0.42 0.00 1.33 -1.07 0.00 0.00 179.97 180.60 1lby n VAL 30 N -4.68 0.37 -3.13 2.04 0.24 -0.87 -3.03 118.33 109.28 1lby n VAL 30 Ca 0.22 0.09 -0.39 0.00 -2.04 0.00 0.00 64.34 62.22 1lby n VAL 30 Cb 0.62 -0.74 -0.05 0.00 -1.47 0.00 0.00 33.84 32.20 1lby n VAL 30 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1lby s LYS 31 N -2.64 4.40 -0.12 7.34 1.02 -0.81 -4.84 119.74 124.08 1lby s LYS 31 Ca 0.19 0.78 -0.29 0.00 0.02 0.00 0.00 55.97 56.67 1lby s LYS 31 Cb 0.14 -3.42 -0.05 0.00 -0.52 0.00 0.00 37.83 33.98 1lby s LYS 31 CO 0.34 0.16 1.86 -0.51 -0.92 0.00 0.00 175.35 176.28 1lby s ASP 32 N 0.49 6.23 -0.00 2.83 -0.00 -1.26 0.86 116.67 125.82 1lby s ASP 32 Ca 0.34 2.07 0.22 0.00 -0.00 0.00 0.00 52.55 55.18 1lby s ASP 32 Cb -0.18 -2.53 -0.27 0.00 -0.00 0.00 0.00 42.92 39.95 1lby s ASP 32 CO 0.17 -1.32 0.62 1.33 -0.00 0.00 0.00 175.17 175.97 1lby n VAL 33 N 6.34 0.07 0.00 -1.27 0.24 0.24 -4.86 118.33 119.09 1lby n VAL 33 Ca 0.21 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 1lby n VAL 33 Cb 0.44 0.11 0.00 0.00 -1.47 0.00 0.00 33.84 32.91 1lby n VAL 33 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1lby n GLY 34 N 1.29 -0.92 3.63 7.63 0.00 -0.97 -5.01 105.19 110.84 1lby n GLY 34 Ca -0.02 -1.04 -0.39 0.00 0.00 0.00 0.00 46.02 44.57 1lby n GLY 34 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1lby s MET 35 N -2.00 4.09 0.52 1.61 1.75 -1.26 -0.01 119.30 123.99 1lby s MET 35 Ca 0.00 0.26 -0.18 0.00 -1.25 0.00 0.00 55.69 54.52 1lby s MET 35 Cb 0.00 -3.62 -0.07 0.00 2.84 0.00 0.00 34.83 33.97 1lby s MET 35 CO 0.00 -0.27 1.02 0.20 -0.65 0.00 0.00 175.02 175.32 1lby s GLY 36 N 1.44 2.28 0.62 2.11 0.00 0.32 -4.80 107.32 109.29 1lby s GLY 36 Ca 0.20 0.42 0.27 0.00 0.00 0.00 0.00 44.72 45.61 1lby s GLY 36 CO 0.09 0.73 1.77 0.50 0.00 0.00 0.00 173.10 176.19 1lby h LYS 37 N 1.14 0.00 0.00 2.90 1.79 -0.48 0.34 116.57 122.26 1lby h LYS 37 Ca -0.48 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 57.90 1lby h LYS 37 Cb 1.21 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.84 1lby h LYS 37 CO 0.59 0.00 -0.59 0.38 -1.08 0.00 0.00 179.45 178.75 1lby h ASP 38 N 0.00 0.00 0.00 0.86 3.04 -1.76 -3.46 116.42 115.09 1lby h ASP 38 Ca 0.16 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.95 1lby h ASP 38 Cb 1.27 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.56 1lby h ASP 38 CO -0.00 0.41 0.00 0.61 -2.04 0.00 0.00 179.24 178.22 1lby n GLY 39 N 1.23 0.86 3.41 7.15 0.00 0.12 -5.09 105.19 112.86 1lby n GLY 39 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1lby n GLY 39 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1lby s THR 40 N -2.00 2.29 0.27 2.61 -4.23 -1.25 -4.86 115.64 108.47 1lby s THR 40 Ca 0.00 -2.02 -0.30 0.00 -1.18 0.00 0.00 61.69 58.18 1lby s THR 40 Cb 0.00 -2.09 -0.13 0.00 1.34 0.00 0.00 72.50 71.62 1lby s THR 40 CO 0.00 -0.14 1.35 -0.81 -0.54 0.00 0.00 174.62 174.48 1lby n PRO 41 N 0.26 2.02 -2.85 3.99 -0.04 -1.26 -0.52 135.00 136.59 1lby n PRO 41 Ca -0.12 0.72 -0.43 0.00 -0.04 0.00 0.00 63.50 63.62 1lby n PRO 41 Cb 0.56 -2.34 -0.04 0.00 -0.04 0.00 0.00 33.50 31.65 1lby n PRO 41 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1lby s THR 42 N -0.42 4.37 0.58 0.52 2.01 0.98 -4.72 115.64 118.97 1lby s THR 42 Ca 0.64 -0.60 -0.11 0.00 0.31 0.00 0.00 61.69 61.92 1lby s THR 42 Cb -0.63 -4.72 -0.05 0.00 0.01 0.00 0.00 72.50 67.11 1lby s THR 42 CO 0.54 -1.50 0.99 -0.54 -0.69 0.00 0.00 174.62 173.42 1lby s LYS 43 N 3.87 3.66 0.32 4.92 -0.14 -1.26 -0.59 119.74 130.51 1lby s LYS 43 Ca 0.25 0.72 0.09 0.00 -1.36 0.00 0.00 55.97 55.67 1lby s LYS 43 Cb -0.14 -2.13 0.91 0.00 -1.68 0.00 0.00 37.83 34.79 1lby s LYS 43 CO 0.06 -0.47 1.68 0.00 -0.76 0.00 0.00 175.35 175.86 1lby h ALA 44 N -0.01 1.70 -0.14 5.17 0.00 0.44 0.26 119.26 126.69 1lby h ALA 44 Ca -0.45 0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.45 1lby h ALA 44 Cb 1.19 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1lby h ALA 44 CO 0.62 -0.44 -0.66 0.00 0.00 0.00 0.00 179.25 178.77 1lby h ALA 45 N 1.78 0.59 0.00 0.00 0.00 -1.78 -2.61 119.26 117.24 1lby h ALA 45 Ca 0.65 -0.57 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1lby h ALA 45 Cb 1.36 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1lby h ALA 45 CO -0.57 0.72 -0.22 -0.44 0.00 0.00 0.00 179.25 178.74 1lby h ASP 46 N 0.39 0.00 -0.09 0.00 3.32 -0.83 -2.24 116.42 116.96 1lby h ASP 46 Ca -0.02 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1lby h ASP 46 Cb 1.24 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.78 1lby h ASP 46 CO 0.12 0.22 0.01 -0.09 -1.72 0.00 0.00 179.24 177.78 1lby h ARG 47 N 0.00 0.16 -0.34 3.56 9.65 -0.85 -1.58 114.38 124.97 1lby h ARG 47 Ca -0.00 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.80 1lby h ARG 47 Cb 0.42 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.97 1lby h ARG 47 CO 0.03 0.37 0.10 -0.39 2.80 0.00 0.00 179.97 182.88 1lby h VAL 48 N -0.09 1.21 0.01 0.20 -1.51 -1.34 -1.01 116.25 113.73 1lby h VAL 48 Ca 0.03 -0.71 0.03 0.00 -1.23 0.00 0.00 66.70 64.82 1lby h VAL 48 Cb 0.30 1.03 -0.05 0.00 -2.13 0.00 0.00 31.29 30.43 1lby h VAL 48 CO 0.00 0.24 -0.35 0.00 -1.23 0.00 0.00 177.57 176.23 1lby h ALA 49 N 0.94 -0.54 -0.26 5.19 0.00 -1.41 -0.51 119.26 122.67 1lby h ALA 49 Ca 0.11 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1lby h ALA 49 Cb 0.27 0.62 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1lby h ALA 49 CO -0.00 -0.88 -0.12 1.49 0.00 0.00 0.00 179.25 179.74 1lby h GLU 50 N -0.52 0.44 0.96 0.00 4.81 -1.20 -1.96 114.58 117.12 1lby h GLU 50 Ca 0.05 -0.12 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 1lby h GLU 50 Cb 0.60 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.93 1lby h GLU 50 CO -0.28 0.56 -0.48 -0.44 -0.73 0.00 0.00 179.01 177.64 1lby h ASP 51 N 0.41 -1.15 -0.62 1.04 3.32 -0.98 -0.44 116.42 118.00 1lby h ASP 51 Ca 0.08 0.04 0.12 0.00 0.02 0.00 0.00 57.03 57.29 1lby h ASP 51 Cb 0.46 0.31 -0.12 0.00 0.22 0.00 0.00 39.33 40.20 1lby h ASP 51 CO 0.03 -0.80 -0.22 0.00 -1.72 0.00 0.00 179.24 176.53 1lby h ALA 52 N -1.29 0.28 0.45 3.45 0.00 -0.69 -1.95 119.26 119.50 1lby h ALA 52 Ca -0.13 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1lby h ALA 52 Cb 1.02 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 1lby h ALA 52 CO 0.20 -0.50 -0.31 0.00 0.00 0.00 0.00 179.25 178.65 1lby h ALA 53 N 1.44 -0.74 0.00 0.00 0.00 -1.37 -2.81 119.26 115.77 1lby h ALA 53 Ca 0.29 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1lby h ALA 53 Cb 0.50 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1lby h ALA 53 CO -0.67 -0.93 0.00 -0.07 0.00 0.00 0.00 179.25 177.58 1lby h LEU 54 N -0.73 0.00 0.13 0.00 3.38 -0.40 0.12 115.31 117.81 1lby h LEU 54 Ca -0.05 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.63 1lby h LEU 54 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1lby h LEU 54 CO 0.03 0.00 -1.42 -0.08 0.09 0.00 0.00 178.44 177.06 1lby h GLU 55 N 0.00 0.28 -0.03 1.13 4.57 -1.11 -2.03 114.58 117.39 1lby h GLU 55 Ca 0.00 -0.48 -0.24 0.00 -1.18 0.00 0.00 59.36 57.46 1lby h GLU 55 Cb 0.11 0.18 0.02 0.00 -0.16 0.00 0.00 28.75 28.89 1lby h GLU 55 CO 0.00 1.18 -0.92 0.82 -1.18 0.00 0.00 179.01 178.91 1lby h ILE 56 N 0.08 1.30 -0.04 2.32 2.04 -1.26 -3.37 117.51 118.58 1lby h ILE 56 Ca -0.20 -2.16 -0.01 0.00 1.00 0.00 0.00 64.86 63.49 1lby h ILE 56 Cb 2.01 2.34 -0.00 0.00 -0.74 0.00 0.00 36.82 40.43 1lby h ILE 56 CO 0.19 0.67 0.00 -0.07 0.00 0.00 0.00 178.15 178.94 1lby h LEU 57 N 0.34 0.06 0.00 1.44 3.38 -0.87 -3.17 115.31 116.50 1lby h LEU 57 Ca -0.11 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1lby h LEU 57 Cb 1.58 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.31 1lby h LEU 57 CO 0.18 0.33 0.00 0.54 0.09 0.00 0.00 178.44 179.59 1lby n ARG 58 N -4.91 0.81 -0.22 1.13 5.12 -0.76 -1.38 116.66 116.45 1lby n ARG 58 Ca -0.07 0.00 0.06 0.00 -1.93 0.00 0.00 57.85 55.91 1lby n ARG 58 Cb 0.17 -1.18 0.17 0.00 -1.16 0.00 0.00 32.46 30.47 1lby n ARG 58 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1lby n LYS 59 N -0.68 1.98 -4.32 5.56 5.02 -1.20 -4.86 118.16 119.66 1lby n LYS 59 Ca 0.07 -1.40 -0.24 0.00 -2.02 0.00 0.00 58.31 54.72 1lby n LYS 59 Cb 0.03 -1.34 -0.08 0.00 -0.02 0.00 0.00 35.03 33.62 1lby n LYS 59 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1lby s GLU 60 N -1.52 2.19 -1.24 1.97 0.41 -0.48 -5.05 118.70 114.97 1lby s GLU 60 Ca 0.26 -1.45 -0.12 0.00 -0.41 0.00 0.00 54.97 53.25 1lby s GLU 60 Cb 0.14 -2.11 0.17 0.00 -1.78 0.00 0.00 34.13 30.55 1lby s GLU 60 CO 0.17 0.37 1.59 0.54 -0.49 0.00 0.00 175.26 177.44 1lby n ARG 61 N -0.75 3.45 -4.18 1.61 1.74 -1.26 -4.92 116.66 112.34 1lby n ARG 61 Ca -0.07 -3.72 -0.16 0.00 -0.77 0.00 0.00 57.85 53.13 1lby n ARG 61 Cb 0.59 -3.02 -0.13 0.00 -1.02 0.00 0.00 32.46 28.89 1lby n ARG 61 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1lby s VAL 62 N 1.25 0.76 -0.41 1.55 -7.23 -1.26 -3.34 120.40 111.71 1lby s VAL 62 Ca 0.42 -0.94 -0.19 0.00 -1.81 0.00 0.00 61.98 59.47 1lby s VAL 62 Cb 0.02 -0.74 0.02 0.00 0.56 0.00 0.00 36.38 36.24 1lby s VAL 62 CO 0.00 -0.16 0.53 -0.89 -0.31 0.00 0.00 175.10 174.27 1lby s THR 63 N -1.00 4.98 -0.11 5.32 2.01 0.28 -2.77 115.64 124.36 1lby s THR 63 Ca -0.04 -0.05 -0.08 0.00 0.31 0.00 0.00 61.69 61.83 1lby s THR 63 Cb -0.08 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.30 1lby s THR 63 CO 0.01 -0.45 0.18 -0.69 -0.69 0.00 0.00 174.62 172.97 1lby s VAL 64 N 2.44 5.44 -0.37 3.82 1.01 0.12 -2.02 120.40 130.85 1lby s VAL 64 Ca 0.17 0.29 -0.02 0.00 0.00 0.00 0.00 61.98 62.43 1lby s VAL 64 Cb -0.16 -3.44 0.09 0.00 0.00 0.00 0.00 36.38 32.87 1lby s VAL 64 CO 0.16 0.61 0.12 0.68 0.00 0.00 0.00 175.10 176.67 1lby s VAL 65 N -1.01 3.07 0.16 2.92 -7.23 -0.44 0.31 120.40 118.19 1lby s VAL 65 Ca 0.16 -1.87 0.11 0.00 -1.81 0.00 0.00 61.98 58.57 1lby s VAL 65 Cb -0.13 -3.02 -0.04 0.00 0.56 0.00 0.00 36.38 33.76 1lby s VAL 65 CO 0.05 -0.49 -0.26 0.28 -0.31 0.00 0.00 175.10 174.37 1lby s THR 66 N 1.15 2.30 0.08 5.32 -1.32 -0.60 0.25 115.64 122.82 1lby s THR 66 Ca 0.04 -1.87 -0.22 0.00 -1.21 0.00 0.00 61.69 58.43 1lby s THR 66 Cb -0.21 -2.05 -0.08 0.00 -1.51 0.00 0.00 72.50 68.65 1lby s THR 66 CO -0.04 0.00 1.36 -0.08 -2.21 0.00 0.00 174.62 173.66 1lby h GLU 67 N 3.60 -0.29 0.11 7.08 4.81 -1.74 -1.68 114.58 126.48 1lby h GLU 67 Ca -0.49 0.02 -0.19 0.00 -0.13 0.00 0.00 59.36 58.57 1lby h GLU 67 Cb 1.19 0.07 0.02 0.00 0.63 0.00 0.00 28.75 30.65 1lby h GLU 67 CO 0.43 -0.19 -0.81 0.93 -0.73 0.00 0.00 179.01 178.64 1lby h GLU 68 N -0.30 0.34 -0.32 1.92 4.39 -1.95 -3.20 114.58 115.47 1lby h GLU 68 Ca 0.04 -0.52 0.00 0.00 0.34 0.00 0.00 59.36 59.22 1lby h GLU 68 Cb 0.41 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1lby h GLU 68 CO -0.37 1.23 0.00 0.43 -1.16 0.00 0.00 179.01 179.14 1lby n SER 69 N -4.12 2.79 0.00 1.42 7.64 -1.22 0.11 113.62 120.23 1lby n SER 69 Ca -0.13 -1.90 0.00 0.00 1.01 0.00 0.00 58.87 57.85 1lby n SER 69 Cb 0.81 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1lby n SER 69 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1lby n GLY 70 N 1.36 -0.53 3.61 0.23 0.00 -0.63 -4.77 105.19 104.46 1lby n GLY 70 Ca 0.18 -1.25 -0.40 0.00 0.00 0.00 0.00 46.02 44.55 1lby n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lby s VAL 71 N 0.00 5.12 -0.05 1.61 1.01 -1.26 -1.56 120.40 125.26 1lby s VAL 71 Ca 0.00 0.73 0.06 0.00 0.00 0.00 0.00 61.98 62.77 1lby s VAL 71 Cb 0.00 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 1lby s VAL 71 CO 0.00 0.12 -0.25 -0.76 0.00 0.00 0.00 175.10 174.21 1lby s LEU 72 N 2.20 2.06 0.00 3.92 1.43 0.15 -4.98 118.68 123.46 1lby s LEU 72 Ca 0.18 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 1lby s LEU 72 Cb -0.16 -1.35 0.00 0.00 0.03 0.00 0.00 46.19 44.71 1lby s LEU 72 CO 0.10 0.25 0.00 0.61 0.23 0.00 0.00 176.35 177.53 1lby n GLY 73 N 2.92 -1.91 0.00 -3.19 0.00 -1.26 0.14 105.19 101.88 1lby n GLY 73 Ca -0.17 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1lby n GLY 73 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1lby n GLU 74 N -0.80 0.00 -0.69 1.61 0.28 -1.24 -4.71 120.64 115.10 1lby n GLU 74 Ca 0.00 -0.23 -0.29 0.00 -0.16 0.00 0.00 57.16 56.47 1lby n GLU 74 Cb 0.04 -0.30 0.21 0.00 1.43 0.00 0.00 31.44 32.82 1lby n GLU 74 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1lby s GLY 75 N 0.00 1.60 -0.02 -1.84 0.00 -1.11 -4.72 107.32 101.23 1lby s GLY 75 Ca 0.00 0.12 0.22 0.00 0.00 0.00 0.00 44.72 45.05 1lby s GLY 75 CO 0.00 0.71 1.55 1.22 0.00 0.00 0.00 173.10 176.58 1lby n ASP 76 N -4.56 4.07 -4.57 1.64 8.00 -1.24 -2.05 116.55 117.85 1lby n ASP 76 Ca 0.06 -2.08 -0.36 0.00 0.71 0.00 0.00 54.79 53.13 1lby n ASP 76 Cb 0.54 -0.50 -0.11 0.00 -0.02 0.00 0.00 41.12 41.03 1lby n ASP 76 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1lby s VAL 77 N -1.15 4.77 -0.06 2.53 1.01 -1.21 -4.40 120.40 121.89 1lby s VAL 77 Ca 0.49 -0.03 -0.15 0.00 0.00 0.00 0.00 61.98 62.29 1lby s VAL 77 Cb 0.26 -3.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.39 1lby s VAL 77 CO 0.31 0.37 0.38 -0.36 0.00 0.00 0.00 175.10 175.81 1lby s PHE 78 N 1.09 3.64 -0.26 5.22 0.40 0.16 -0.56 117.98 127.66 1lby s PHE 78 Ca 0.05 0.88 -0.03 0.00 -0.60 0.00 0.00 56.93 57.23 1lby s PHE 78 Cb -0.14 -2.32 0.03 0.00 0.51 0.00 0.00 43.02 41.10 1lby s PHE 78 CO 0.04 0.50 -0.02 0.08 0.70 0.00 0.00 175.22 176.52 1lby s VAL 79 N -0.53 3.12 -0.52 -0.44 1.01 -0.86 0.11 120.40 122.29 1lby s VAL 79 Ca 0.22 -1.00 -0.25 0.00 0.00 0.00 0.00 61.98 60.95 1lby s VAL 79 Cb -0.15 -2.62 0.04 0.00 0.00 0.00 0.00 36.38 33.64 1lby s VAL 79 CO 0.11 0.13 0.95 0.00 0.00 0.00 0.00 175.10 176.29 1lby s ALA 80 N 1.35 3.18 -0.16 5.51 0.00 0.20 -1.32 121.76 130.52 1lby s ALA 80 Ca -0.00 -1.05 -0.05 0.00 0.00 0.00 0.00 51.96 50.86 1lby s ALA 80 Cb -0.17 -3.72 -0.03 0.00 0.00 0.00 0.00 23.12 19.20 1lby s ALA 80 CO -0.03 -2.28 0.00 -1.17 0.00 0.00 0.00 175.76 172.29 1lby s LEU 81 N 3.93 3.49 -0.29 0.00 2.96 0.14 -2.08 118.68 126.84 1lby s LEU 81 Ca 0.34 -0.02 0.03 0.00 -0.22 0.00 0.00 54.13 54.25 1lby s LEU 81 Cb -0.11 -1.85 0.08 0.00 0.50 0.00 0.00 46.19 44.80 1lby s LEU 81 CO 0.22 0.19 -0.03 -0.62 -1.32 0.00 0.00 176.35 174.79 1lby s ASP 82 N 0.23 4.50 0.14 3.68 -1.08 -0.35 -2.06 116.67 121.74 1lby s ASP 82 Ca 0.00 -1.69 0.24 0.00 -0.52 0.00 0.00 52.55 50.58 1lby s ASP 82 Cb -0.13 -1.52 0.91 0.00 -1.46 0.00 0.00 42.92 40.72 1lby s ASP 82 CO 0.02 -0.28 1.73 -0.81 0.52 0.00 0.00 175.17 176.35 1lby n PRO 83 N 4.40 0.14 -2.67 4.34 -0.05 -1.26 -0.74 135.00 139.16 1lby n PRO 83 Ca -0.06 0.24 -0.04 0.00 -0.05 0.00 0.00 63.50 63.59 1lby n PRO 83 Cb 0.42 -1.71 0.05 0.00 -0.05 0.00 0.00 33.50 32.22 1lby n PRO 83 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 175.50 175.34 1lby n LEU 84 N -1.96 -1.38 -4.74 1.53 7.94 -1.23 -4.55 117.00 112.61 1lby n LEU 84 Ca 0.04 -1.23 -0.41 0.00 -1.11 0.00 0.00 56.01 53.31 1lby n LEU 84 Cb 0.30 0.55 -0.04 0.00 0.53 0.00 0.00 43.42 44.76 1lby n LEU 84 CO 0.23 1.31 0.79 -0.62 -1.11 0.00 0.00 177.39 178.00 1lby s ASP 85 N 0.52 7.27 0.00 1.96 3.68 0.14 -3.10 116.67 127.13 1lby s ASP 85 Ca 0.24 2.12 0.00 0.00 2.13 0.00 0.00 52.55 57.05 1lby s ASP 85 Cb 0.16 -2.61 0.00 0.00 -1.45 0.00 0.00 42.92 39.02 1lby s ASP 85 CO -0.10 -0.20 0.00 0.61 0.13 0.00 0.00 175.17 175.61 1lby n GLY 86 N 1.87 0.98 0.39 2.66 0.00 -1.25 -0.15 105.19 109.70 1lby n GLY 86 Ca 0.02 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 1lby n GLY 86 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1lby h THR 87 N 0.00 0.13 -1.01 2.61 2.02 -1.83 0.23 112.91 115.05 1lby h THR 87 Ca 0.00 0.00 0.25 0.00 0.77 0.00 0.00 66.41 67.43 1lby h THR 87 Cb 0.07 0.13 -0.12 0.00 -1.74 0.00 0.00 68.15 66.49 1lby h THR 87 CO 0.00 0.00 0.62 0.15 0.37 0.00 0.00 175.52 176.66 1lby h PHE 88 N -0.35 0.93 -0.06 3.16 3.57 -1.91 0.35 116.94 122.63 1lby h PHE 88 Ca 0.13 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.45 1lby h PHE 88 Cb 0.59 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.06 1lby h PHE 88 CO -0.59 0.07 -0.82 -0.91 -2.23 0.00 0.00 178.31 173.82 1lby h ASN 89 N 0.55 0.61 -0.08 0.41 2.35 -1.29 -3.26 115.58 114.87 1lby h ASN 89 Ca 0.63 -0.43 -0.19 0.00 -0.55 0.00 0.00 56.30 55.76 1lby h ASN 89 Cb 1.28 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.47 1lby h ASN 89 CO -0.43 1.20 -0.66 0.00 -1.65 0.00 0.00 177.43 175.89 1lby h ALA 90 N 0.78 0.48 0.00 -0.83 0.00 0.48 0.17 119.26 120.33 1lby h ALA 90 Ca -0.06 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1lby h ALA 90 Cb 1.43 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1lby h ALA 90 CO 0.15 0.70 0.00 1.79 0.00 0.00 0.00 179.25 181.89 1lby h THR 91 N 0.51 0.00 -0.13 0.00 1.35 -1.14 -1.70 112.91 111.79 1lby h THR 91 Ca -0.02 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1lby h THR 91 Cb 1.26 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 1lby h THR 91 CO 0.13 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 175.94 1lby n ARG 92 N -2.87 2.24 -2.46 4.72 1.74 -1.15 -4.65 116.66 114.23 1lby n ARG 92 Ca -0.02 -2.54 -0.13 0.00 -0.77 0.00 0.00 57.85 54.39 1lby n ARG 92 Cb 0.10 -1.57 0.01 0.00 -1.02 0.00 0.00 32.46 29.97 1lby n ARG 92 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1lby n GLY 93 N -0.81 -0.10 3.64 -0.13 0.00 -0.64 -5.01 105.19 102.13 1lby n GLY 93 Ca 0.16 -0.30 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 1lby n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1lby s ILE 94 N -2.76 5.34 0.00 -0.61 1.01 0.56 -5.00 121.20 119.75 1lby s ILE 94 Ca 0.08 0.18 -0.02 0.00 0.00 0.00 0.00 60.65 60.89 1lby s ILE 94 Cb -0.04 -3.51 -0.07 0.00 0.01 0.00 0.00 42.46 38.85 1lby s ILE 94 CO 0.10 0.31 1.96 -0.81 0.00 0.00 0.00 174.94 176.51 1lby n PRO 95 N 4.55 1.01 -3.78 2.79 -0.04 -1.26 -4.19 135.00 134.07 1lby n PRO 95 Ca -0.15 -0.27 -0.30 0.00 -0.04 0.00 0.00 63.50 62.75 1lby n PRO 95 Cb 0.52 -1.40 -0.15 0.00 -0.04 0.00 0.00 33.50 32.43 1lby n PRO 95 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1lby s VAL 96 N 0.88 1.04 -0.26 0.52 1.01 -1.26 -4.60 120.40 117.72 1lby s VAL 96 Ca 0.18 -1.42 -0.27 0.00 0.00 0.00 0.00 61.98 60.47 1lby s VAL 96 Cb 0.09 -1.73 0.16 0.00 0.00 0.00 0.00 36.38 34.90 1lby s VAL 96 CO 0.00 -0.60 1.24 -0.72 0.00 0.00 0.00 175.10 175.02 1lby s TYR 97 N 1.55 -0.21 0.17 5.22 -0.85 -1.26 -4.62 117.35 117.35 1lby s TYR 97 Ca 0.08 0.44 -0.06 0.00 -0.52 0.00 0.00 57.07 57.01 1lby s TYR 97 Cb -0.17 0.45 -0.02 0.00 0.38 0.00 0.00 41.96 42.60 1lby s TYR 97 CO -0.21 -0.14 0.24 -1.12 -1.52 0.00 0.00 175.55 172.80 1lby s SER 98 N -0.44 0.10 -0.23 -0.18 0.01 0.79 -1.19 113.70 112.56 1lby s SER 98 Ca 0.05 -1.03 -0.09 0.00 1.31 0.00 0.00 55.95 56.18 1lby s SER 98 Cb -0.03 0.42 -0.04 0.00 0.21 0.00 0.00 66.02 66.57 1lby s SER 98 CO -0.08 -0.88 0.13 0.54 0.41 0.00 0.00 173.24 173.36 1lby s VAL 99 N -4.02 5.08 -0.06 3.43 0.11 -0.70 0.25 120.40 124.49 1lby s VAL 99 Ca 0.23 0.08 0.06 0.00 -2.93 0.00 0.00 61.98 59.42 1lby s VAL 99 Cb 0.04 -3.36 -0.01 0.00 -1.53 0.00 0.00 36.38 31.52 1lby s VAL 99 CO 0.04 0.36 -0.24 -0.55 -3.33 0.00 0.00 175.10 171.37 1lby s SER 100 N 1.07 3.12 -0.02 3.54 0.15 0.08 -1.75 113.70 119.89 1lby s SER 100 Ca 0.06 -0.50 0.02 0.00 0.70 0.00 0.00 55.95 56.23 1lby s SER 100 Cb -0.14 -0.87 0.00 0.00 -1.71 0.00 0.00 66.02 63.31 1lby s SER 100 CO 0.04 0.24 -0.07 -0.76 1.20 0.00 0.00 173.24 173.90 1lby s LEU 101 N -0.16 1.77 -0.10 3.45 1.43 0.12 -1.21 118.68 123.97 1lby s LEU 101 Ca -0.04 -0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 52.91 1lby s LEU 101 Cb -0.14 -0.43 0.03 0.00 0.03 0.00 0.00 46.19 45.68 1lby s LEU 101 CO 0.04 0.04 0.00 0.00 0.23 0.00 0.00 176.35 176.66 1lby s PHE 103 N 1.94 3.46 0.03 0.00 0.40 -0.45 0.61 117.98 123.96 1lby s PHE 103 Ca 0.04 0.40 0.04 0.00 -0.60 0.00 0.00 56.93 56.80 1lby s PHE 103 Cb -0.13 -2.12 -0.02 0.00 0.51 0.00 0.00 43.02 41.26 1lby s PHE 103 CO -0.06 0.39 -0.11 0.45 0.70 0.00 0.00 175.22 176.60 1lby s SER 104 N 0.03 1.27 -0.00 1.36 0.15 0.30 -0.69 113.70 116.11 1lby s SER 104 Ca 0.10 -0.39 0.03 0.00 0.70 0.00 0.00 55.95 56.39 1lby s SER 104 Cb -0.11 -0.07 0.09 0.00 -1.71 0.00 0.00 66.02 64.22 1lby s SER 104 CO -0.00 -0.01 1.05 -1.22 1.20 0.00 0.00 173.24 174.27 1lby n TYR 105 N 2.06 0.15 -3.94 3.44 4.01 -0.59 0.36 117.16 122.64 1lby n TYR 105 Ca -0.18 -0.07 -0.10 0.00 -0.16 0.00 0.00 57.90 57.39 1lby n TYR 105 Cb 0.55 -0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.55 1lby n TYR 105 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1lby s SER 106 N -0.95 0.19 0.00 7.72 1.04 -1.26 -4.88 113.70 115.57 1lby s SER 106 Ca 0.07 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.39 1lby s SER 106 Cb 0.04 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.87 1lby s SER 106 CO 0.05 -1.39 0.79 -0.90 0.98 0.00 0.00 173.24 172.77 1lby n ASP 107 N -1.01 2.29 -4.05 7.02 3.85 -1.26 -4.41 116.55 118.99 1lby n ASP 107 Ca -0.03 -1.75 -0.21 0.00 -0.71 0.00 0.00 54.79 52.09 1lby n ASP 107 Cb 0.61 -0.44 -0.15 0.00 -1.35 0.00 0.00 41.12 39.79 1lby n ASP 107 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1lby s LYS 108 N -0.09 1.04 0.56 0.11 1.02 -1.26 -2.32 119.74 118.80 1lby s LYS 108 Ca 0.00 -0.39 0.25 0.00 0.02 0.00 0.00 55.97 55.85 1lby s LYS 108 Cb 0.00 -0.98 1.50 0.00 -0.52 0.00 0.00 37.83 37.83 1lby s LYS 108 CO 0.00 0.19 2.08 1.25 -0.92 0.00 0.00 175.35 177.95 1lby h LEU 109 N 6.13 0.00 -0.04 3.17 5.85 -1.31 -1.86 115.31 127.24 1lby h LEU 109 Ca -0.33 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1lby h LEU 109 Cb 1.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1lby h LEU 109 CO 0.49 0.00 0.00 2.29 -0.34 0.00 0.00 178.44 180.88 1lby n LYS 110 N -4.13 0.02 -0.44 1.25 2.85 -0.60 -2.23 118.16 114.89 1lby n LYS 110 Ca 0.03 0.17 0.08 0.00 -1.05 0.00 0.00 58.31 57.54 1lby n LYS 110 Cb 0.36 -1.54 0.26 0.00 -0.65 0.00 0.00 35.03 33.46 1lby n LYS 110 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1lby n ASP 111 N -1.58 3.91 -4.76 -5.58 8.00 -0.70 -5.01 116.55 110.84 1lby n ASP 111 Ca 0.05 -2.73 -0.41 0.00 0.71 0.00 0.00 54.79 52.40 1lby n ASP 111 Cb 0.24 -0.49 -0.01 0.00 -0.02 0.00 0.00 41.12 40.84 1lby n ASP 111 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1lby s ALA 112 N -2.33 3.65 -0.06 2.24 0.00 -0.94 -1.55 121.76 122.77 1lby s ALA 112 Ca 0.40 1.47 0.05 0.00 0.00 0.00 0.00 51.96 53.88 1lby s ALA 112 Cb 0.30 -3.60 -0.07 0.00 0.00 0.00 0.00 23.12 19.76 1lby s ALA 112 CO 0.12 -0.90 0.12 1.97 0.00 0.00 0.00 175.76 177.08 1lby n PHE 113 N 1.67 0.00 -3.79 0.00 1.16 0.14 -4.91 117.46 111.73 1lby n PHE 113 Ca 0.05 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.51 1lby n PHE 113 Cb 0.39 -0.08 -0.11 0.00 -1.61 0.00 0.00 39.48 38.08 1lby n PHE 113 CO 0.00 0.00 0.00 0.12 -1.87 0.00 0.00 176.76 175.01 1lby s PHE 114 N -2.09 -0.24 0.02 2.97 2.19 -1.14 -4.62 117.98 115.08 1lby s PHE 114 Ca -0.01 0.55 0.03 0.00 0.33 0.00 0.00 56.93 57.83 1lby s PHE 114 Cb 0.03 0.08 -0.01 0.00 -1.31 0.00 0.00 43.02 41.81 1lby s PHE 114 CO 0.19 -0.21 -0.09 0.20 1.83 0.00 0.00 175.22 177.14 1lby s GLY 115 N -0.30 0.49 -0.15 13.12 0.00 -1.16 -1.35 107.32 117.98 1lby s GLY 115 Ca -0.04 -0.55 -0.09 0.00 0.00 0.00 0.00 44.72 44.03 1lby s GLY 115 CO 0.01 -0.54 0.36 -0.47 0.00 0.00 0.00 173.10 172.47 1lby s TYR 116 N -0.66 -0.49 -0.20 1.90 5.04 0.84 -2.19 117.35 121.60 1lby s TYR 116 Ca -0.01 1.10 -0.04 0.00 -2.44 0.00 0.00 57.07 55.67 1lby s TYR 116 Cb -0.06 0.18 0.09 0.00 0.35 0.00 0.00 41.96 42.52 1lby s TYR 116 CO 0.00 -0.28 0.19 0.08 -1.34 0.00 0.00 175.55 174.21 1lby s VAL 117 N 1.01 -0.27 -0.22 3.14 1.01 -0.46 0.12 120.40 124.73 1lby s VAL 117 Ca -0.07 -0.13 -0.06 0.00 0.00 0.00 0.00 61.98 61.72 1lby s VAL 117 Cb -0.07 -0.66 -0.02 0.00 0.00 0.00 0.00 36.38 35.63 1lby s VAL 117 CO -0.08 -0.23 0.02 -0.47 0.00 0.00 0.00 175.10 174.34 1lby s TYR 118 N 2.28 3.04 -0.71 5.22 5.04 -0.72 -0.61 117.35 130.89 1lby s TYR 118 Ca 0.06 -0.54 -0.26 0.00 -2.44 0.00 0.00 57.07 53.89 1lby s TYR 118 Cb -0.16 -2.14 -0.03 0.00 0.35 0.00 0.00 41.96 39.98 1lby s TYR 118 CO -0.12 -0.34 1.86 1.21 -1.34 0.00 0.00 175.55 176.82 1lby s ASN 119 N 1.31 5.29 0.51 4.32 3.04 0.15 -1.72 114.94 127.83 1lby s ASN 119 Ca 0.04 -0.04 0.24 0.00 0.04 0.00 0.00 52.86 53.14 1lby s ASN 119 Cb -0.15 -2.54 1.36 0.00 -1.54 0.00 0.00 41.25 38.38 1lby s ASN 119 CO 0.01 -2.45 2.06 -0.07 -3.04 0.00 0.00 177.10 173.61 1lby h LEU 120 N 16.68 0.00 0.18 3.21 3.38 -1.46 1.46 115.31 138.76 1lby h LEU 120 Ca -0.14 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1lby h LEU 120 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1lby h LEU 120 CO 1.22 0.13 -0.09 0.00 0.09 0.00 0.00 178.44 179.80 1lby h ALA 121 N 1.87 -0.25 -0.02 1.53 0.00 -1.83 -3.38 119.26 117.19 1lby h ALA 121 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1lby h ALA 121 Cb 0.31 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1lby h ALA 121 CO 0.02 -0.30 -0.34 0.25 0.00 0.00 0.00 179.25 178.88 1lby n THR 122 N -4.93 0.00 -1.24 0.00 -2.24 -1.14 -4.96 114.28 99.76 1lby n THR 122 Ca -0.07 -0.29 -0.08 0.00 -2.27 0.00 0.00 64.05 61.34 1lby n THR 122 Cb 0.24 1.19 -0.03 0.00 -2.10 0.00 0.00 70.33 69.63 1lby n THR 122 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1lby n GLY 123 N 1.39 0.98 3.64 3.38 0.00 0.50 -4.98 105.19 110.10 1lby n GLY 123 Ca 0.11 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 1lby n GLY 123 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1lby s ASP 124 N -2.91 6.84 -0.20 1.61 1.01 -1.15 -4.83 116.67 117.03 1lby s ASP 124 Ca 0.00 1.17 -0.08 0.00 0.71 0.00 0.00 52.55 54.34 1lby s ASP 124 Cb 0.00 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 1lby s ASP 124 CO 0.00 -0.94 0.09 -0.70 0.21 0.00 0.00 175.17 173.83 1lby s GLU 125 N 3.82 4.00 0.17 8.23 2.12 -1.26 0.33 118.70 136.11 1lby s GLU 125 Ca 0.50 -0.32 0.11 0.00 0.36 0.00 0.00 54.97 55.62 1lby s GLU 125 Cb -0.15 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 30.89 1lby s GLU 125 CO 0.18 0.20 -0.23 0.71 -0.54 0.00 0.00 175.26 175.58 1lby s TYR 126 N 0.59 2.19 -0.13 5.30 1.51 0.22 -0.29 117.35 126.73 1lby s TYR 126 Ca 0.05 -0.38 -0.33 0.00 -1.01 0.00 0.00 57.07 55.39 1lby s TYR 126 Cb -0.13 -1.11 0.13 0.00 -0.11 0.00 0.00 41.96 40.74 1lby s TYR 126 CO 0.01 0.43 1.15 1.52 -1.11 0.00 0.00 175.55 177.55 1lby s TYR 127 N -1.59 -0.16 0.04 2.71 -0.85 -1.04 -1.36 117.35 115.09 1lby s TYR 127 Ca 0.18 0.08 0.03 0.00 -0.52 0.00 0.00 57.07 56.84 1lby s TYR 127 Cb -0.08 0.53 -0.02 0.00 0.38 0.00 0.00 41.96 42.76 1lby s TYR 127 CO 0.08 -0.29 -0.09 0.00 -1.52 0.00 0.00 175.55 173.73 1lby s ALA 128 N -2.57 0.73 0.00 9.51 0.00 -0.93 -0.62 121.76 127.88 1lby s ALA 128 Ca 0.09 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.33 1lby s ALA 128 Cb -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.08 1lby s ALA 128 CO -0.05 0.07 0.00 -0.40 0.00 0.00 0.00 175.76 175.38 1lby n ASP 129 N 1.76 0.00 0.00 0.00 5.68 -1.05 -2.96 116.55 119.97 1lby n ASP 129 Ca -0.20 0.00 0.08 0.00 -0.50 0.00 0.00 54.79 54.17 1lby n ASP 129 Cb 0.55 0.00 0.44 0.00 -1.14 0.00 0.00 41.12 40.98 1lby n ASP 129 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1lby n SER 130 N 0.00 0.00 -0.00 -1.12 3.41 -1.26 -2.70 113.62 111.94 1lby n SER 130 Ca 0.00 -0.06 0.07 0.00 -0.26 0.00 0.00 58.87 58.61 1lby n SER 130 Cb 0.00 -0.23 -0.08 0.00 -0.26 0.00 0.00 64.21 63.63 1lby n SER 130 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1lby n SER 131 N -1.23 0.82 0.00 4.04 3.41 -1.26 -5.10 113.62 114.29 1lby n SER 131 Ca 0.09 -0.70 0.00 0.00 -0.26 0.00 0.00 58.87 58.00 1lby n SER 131 Cb 0.12 1.10 0.00 0.00 -0.26 0.00 0.00 64.21 65.17 1lby n SER 131 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lby n GLY 132 N 1.38 2.46 3.89 5.00 0.00 -1.10 -5.11 105.19 111.72 1lby n GLY 132 Ca 0.02 -1.86 -0.33 0.00 0.00 0.00 0.00 46.02 43.85 1lby n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lby s ALA 133 N -1.69 3.82 0.04 4.61 0.00 -1.26 -2.52 121.76 124.76 1lby s ALA 133 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.40 1lby s ALA 133 Cb 0.00 -2.10 -0.03 0.00 0.00 0.00 0.00 23.12 20.99 1lby s ALA 133 CO 0.00 0.66 -0.04 0.71 0.00 0.00 0.00 175.76 177.09 1lby s TYR 134 N -1.50 0.48 -0.11 0.00 2.02 0.21 0.29 117.35 118.75 1lby s TYR 134 Ca 0.35 -0.71 -0.02 0.00 -0.37 0.00 0.00 57.07 56.32 1lby s TYR 134 Cb -0.13 -0.32 0.04 0.00 -0.40 0.00 0.00 41.96 41.15 1lby s TYR 134 CO 0.21 -0.21 0.03 0.50 -1.57 0.00 0.00 175.55 174.51 1lby s ARG 135 N -2.40 0.47 -1.61 -0.62 3.52 0.11 -2.51 118.95 115.91 1lby s ARG 135 Ca -0.06 0.00 -0.16 0.00 -0.13 0.00 0.00 55.73 55.39 1lby s ARG 135 Cb -0.04 -1.26 0.12 0.00 -1.56 0.00 0.00 34.95 32.21 1lby s ARG 135 CO -0.04 -0.42 0.89 0.09 -0.81 0.00 0.00 175.30 175.02 1lby n ASN 136 N 5.16 -4.10 0.00 -2.12 3.02 0.60 -0.73 115.26 117.09 1lby n ASN 136 Ca -0.07 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.60 1lby n ASN 136 Cb 0.49 -3.38 0.00 0.00 -0.61 0.00 0.00 39.78 36.29 1lby n ASN 136 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lby n GLY 137 N -1.56 1.00 3.47 7.41 0.00 -1.26 -5.03 105.19 109.21 1lby n GLY 137 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1lby n GLY 137 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lby s GLU 138 N -0.37 2.82 0.68 1.61 2.02 0.10 -5.05 118.70 120.50 1lby s GLU 138 Ca 0.00 -0.66 -0.17 0.00 0.02 0.00 0.00 54.97 54.16 1lby s GLU 138 Cb 0.00 -2.50 -0.04 0.00 0.10 0.00 0.00 34.13 31.69 1lby s GLU 138 CO 0.00 0.51 0.70 -2.13 0.02 0.00 0.00 175.26 174.36 1lby n ARG 139 N 2.66 0.48 -3.90 1.61 3.00 -1.26 0.09 116.66 119.33 1lby n ARG 139 Ca -0.18 0.20 -0.09 0.00 -0.00 0.00 0.00 57.85 57.78 1lby n ARG 139 Cb 0.52 -1.96 -0.09 0.00 0.00 0.00 0.00 32.46 30.94 1lby n ARG 139 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 1lby s ILE 140 N -1.79 0.13 0.20 5.15 -4.36 0.15 -4.68 121.20 115.99 1lby s ILE 140 Ca 0.70 -1.08 -0.08 0.00 -0.26 0.00 0.00 60.65 59.93 1lby s ILE 140 Cb -0.37 -0.97 -0.02 0.00 1.25 0.00 0.00 42.46 42.35 1lby s ILE 140 CO 0.54 -0.59 0.30 -1.61 0.24 0.00 0.00 174.94 173.81 1lby s GLU 141 N -2.78 1.29 0.72 0.37 2.02 -1.25 -4.24 118.70 114.83 1lby s GLU 141 Ca -0.03 -1.34 -0.11 0.00 0.02 0.00 0.00 54.97 53.51 1lby s GLU 141 Cb -0.00 0.37 0.02 0.00 0.10 0.00 0.00 34.13 34.62 1lby s GLU 141 CO -0.05 -0.48 1.07 0.08 0.02 0.00 0.00 175.26 175.90 1lby s VAL 142 N -4.04 3.72 0.79 2.63 1.01 0.18 -3.54 120.40 121.14 1lby s VAL 142 Ca 0.25 0.58 -0.11 0.00 0.00 0.00 0.00 61.98 62.70 1lby s VAL 142 Cb 0.03 -3.20 0.06 0.00 0.00 0.00 0.00 36.38 33.28 1lby s VAL 142 CO 0.06 -0.71 1.09 -0.94 0.00 0.00 0.00 175.10 174.60 1lby s SER 143 N -3.53 4.48 -0.16 3.32 1.04 -1.26 -4.82 113.70 112.76 1lby s SER 143 Ca 0.60 1.55 0.16 0.00 0.48 0.00 0.00 55.95 58.74 1lby s SER 143 Cb -0.16 -2.30 0.49 0.00 0.10 0.00 0.00 66.02 64.15 1lby s SER 143 CO 0.54 -2.01 1.38 -0.90 0.98 0.00 0.00 173.24 173.23 1lby n ASP 144 N -3.48 3.67 -4.71 7.02 5.68 -1.26 -4.68 116.55 118.79 1lby n ASP 144 Ca 0.08 -2.95 -0.42 0.00 -0.50 0.00 0.00 54.79 51.00 1lby n ASP 144 Cb 0.55 -0.51 -0.03 0.00 -1.14 0.00 0.00 41.12 39.99 1lby n ASP 144 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1lby s ALA 145 N -2.70 3.41 -0.23 2.12 0.00 -1.26 -4.98 121.76 118.12 1lby s ALA 145 Ca 0.40 0.78 0.12 0.00 0.00 0.00 0.00 51.96 53.26 1lby s ALA 145 Cb 0.32 -3.46 0.45 0.00 0.00 0.00 0.00 23.12 20.42 1lby s ALA 145 CO 0.09 -0.52 1.33 -0.85 0.00 0.00 0.00 175.76 175.81 1lby n GLU 146 N 4.28 1.79 -4.13 0.00 0.28 -1.26 -4.57 120.64 117.02 1lby n GLU 146 Ca 0.09 -3.10 -0.32 0.00 -0.16 0.00 0.00 57.16 53.67 1lby n GLU 146 Cb 0.46 -1.71 -0.07 0.00 1.43 0.00 0.00 31.44 31.55 1lby n GLU 146 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1lby s GLU 147 N -3.15 2.97 0.11 3.44 8.01 -1.26 -4.67 118.70 124.15 1lby s GLU 147 Ca 0.40 -0.55 0.21 0.00 0.01 0.00 0.00 54.97 55.05 1lby s GLU 147 Cb 0.37 -2.79 0.86 0.00 -4.31 0.00 0.00 34.13 28.26 1lby s GLU 147 CO -0.01 0.63 1.66 1.28 0.01 0.00 0.00 175.26 178.83 1lby n LEU 148 N 1.12 0.31 -4.35 1.80 4.77 -1.26 -3.90 117.00 115.49 1lby n LEU 148 Ca -0.13 0.56 -0.35 0.00 -0.03 0.00 0.00 56.01 56.06 1lby n LEU 148 Cb 0.52 -0.50 -0.04 0.00 -2.33 0.00 0.00 43.42 41.07 1lby n LEU 148 CO 0.38 -0.29 1.80 0.00 -1.33 0.00 0.00 177.39 177.95 1lby n TYR 149 N -1.82 3.05 -4.08 -1.77 4.19 -1.26 -3.77 117.16 111.70 1lby n TYR 149 Ca 0.04 -1.92 -0.10 0.00 3.31 0.00 0.00 57.90 59.22 1lby n TYR 149 Cb 0.25 -2.45 -0.04 0.00 0.49 0.00 0.00 39.34 37.59 1lby n TYR 149 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1lby s ASN 151 N -2.29 6.19 -0.06 0.00 0.01 -1.26 -1.10 114.94 116.43 1lby s ASN 151 Ca 0.21 -1.31 0.03 0.00 -0.71 0.00 0.00 52.86 51.09 1lby s ASN 151 Cb 0.01 -2.31 -0.02 0.00 0.41 0.00 0.00 41.25 39.33 1lby s ASN 151 CO 0.15 -1.10 -0.14 0.00 -1.51 0.00 0.00 177.10 174.49 1lby s ALA 152 N 2.79 2.65 0.03 0.60 0.00 -0.80 0.43 121.76 127.46 1lby s ALA 152 Ca 0.13 -0.97 -0.19 0.00 0.00 0.00 0.00 51.96 50.93 1lby s ALA 152 Cb -0.23 -0.99 -0.06 0.00 0.00 0.00 0.00 23.12 21.84 1lby s ALA 152 CO 0.08 0.52 0.55 0.42 0.00 0.00 0.00 175.76 177.32 1lby s ILE 153 N -0.59 4.85 -0.23 0.00 -1.09 -1.04 -1.78 121.20 121.31 1lby s ILE 153 Ca 0.09 1.16 -0.13 0.00 -2.23 0.00 0.00 60.65 59.54 1lby s ILE 153 Cb -0.11 -3.88 0.07 0.00 -1.58 0.00 0.00 42.46 36.96 1lby s ILE 153 CO 0.01 0.51 0.57 -0.51 -1.23 0.00 0.00 174.94 174.29 1lby s ILE 154 N -0.76 -0.01 -0.32 2.92 2.07 -0.91 -1.26 121.20 122.93 1lby s ILE 154 Ca 0.29 0.04 0.02 0.00 -1.41 0.00 0.00 60.65 59.59 1lby s ILE 154 Cb -0.19 -0.83 0.10 0.00 0.13 0.00 0.00 42.46 41.67 1lby s ILE 154 CO 0.17 0.02 0.05 -0.31 -1.91 0.00 0.00 174.94 172.96 1lby s TYR 155 N 1.50 2.95 0.18 3.50 1.51 0.17 -4.40 117.35 122.77 1lby s TYR 155 Ca -0.10 -2.46 0.08 0.00 -1.01 0.00 0.00 57.07 53.58 1lby s TYR 155 Cb -0.06 -2.39 -0.04 0.00 -0.11 0.00 0.00 41.96 39.36 1lby s TYR 155 CO -0.16 -0.91 -0.15 0.71 -1.11 0.00 0.00 175.55 173.92 1lby s TYR 156 N 1.19 1.70 -0.32 2.71 4.12 -1.26 -0.74 117.35 124.75 1lby s TYR 156 Ca 0.09 -0.55 -0.29 0.00 0.02 0.00 0.00 57.07 56.34 1lby s TYR 156 Cb -0.18 -0.81 -0.01 0.00 -1.52 0.00 0.00 41.96 39.43 1lby s TYR 156 CO -0.14 0.32 1.53 -2.14 0.02 0.00 0.00 175.55 175.15 1lby s PRO 157 N -3.32 3.65 0.40 -1.71 0.02 -1.26 -4.82 135.00 127.96 1lby s PRO 157 Ca 0.19 1.31 0.23 0.00 0.02 0.00 0.00 61.00 62.76 1lby s PRO 157 Cb -0.02 -4.04 0.41 0.00 0.02 0.00 0.00 34.50 30.87 1lby s PRO 157 CO 0.06 -1.46 1.63 -0.44 -0.33 0.00 0.00 177.00 176.46 1lby h ASP 158 N 10.90 0.00 -1.81 2.53 3.32 -1.99 -3.49 116.42 125.88 1lby h ASP 158 Ca -0.30 -0.00 0.09 0.00 0.02 0.00 0.00 57.03 56.84 1lby h ASP 158 Cb 1.13 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.67 1lby h ASP 158 CO 1.04 0.00 0.35 -2.11 -1.72 0.00 0.00 179.24 176.80 1lby n ARG 159 N -2.97 0.42 -2.28 3.56 0.00 -1.26 -5.12 116.66 109.00 1lby n ARG 159 Ca 0.04 -0.94 -0.42 0.00 -0.00 0.00 0.00 57.85 56.53 1lby n ARG 159 Cb 0.51 1.26 -0.03 0.00 -0.00 0.00 0.00 32.46 34.21 1lby n ARG 159 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1lby s LYS 160 N -2.03 4.31 0.34 2.89 1.02 -1.26 -5.00 119.74 120.01 1lby s LYS 160 Ca 0.14 1.89 0.09 0.00 0.02 0.00 0.00 55.97 58.11 1lby s LYS 160 Cb -0.02 -3.54 -0.07 0.00 -0.52 0.00 0.00 37.83 33.69 1lby s LYS 160 CO 0.04 -0.52 -0.07 -0.06 -0.92 0.00 0.00 175.35 173.81 1lby s PHE 161 N 2.21 2.33 -1.36 3.18 2.99 -1.26 -5.08 117.98 121.00 1lby s PHE 161 Ca 0.62 -0.57 0.25 0.00 0.00 0.00 0.00 56.93 57.23 1lby s PHE 161 Cb -0.30 -1.38 0.43 0.00 0.00 0.00 0.00 43.02 41.77 1lby s PHE 161 CO 0.26 0.50 1.36 -0.35 -0.00 0.00 0.00 175.22 176.98 1lby n PRO 162 N -0.78 0.41 -1.38 0.24 -0.05 -1.26 -5.00 135.00 127.17 1lby n PRO 162 Ca -0.05 -0.27 -0.38 0.00 -0.05 0.00 0.00 63.50 62.75 1lby n PRO 162 Cb 0.64 -1.49 0.03 0.00 -0.05 0.00 0.00 33.50 32.63 1lby n PRO 162 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 175.50 176.64 1lby n PHE 163 N -1.06 -1.43 0.09 0.54 0.99 -1.25 -4.40 117.46 110.94 1lby n PHE 163 Ca 0.08 0.43 -0.09 0.00 -0.00 0.00 0.00 57.45 57.87 1lby n PHE 163 Cb 0.35 -1.86 -0.06 0.00 -1.00 0.00 0.00 39.48 36.91 1lby n PHE 163 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 1lby h LYS 164 N 0.10 -0.30 -5.87 -1.08 3.64 -1.32 -3.45 116.57 108.28 1lby h LYS 164 Ca -0.44 0.02 -0.53 0.00 -1.27 0.00 0.00 60.65 58.43 1lby h LYS 164 Cb 1.41 0.07 -0.24 0.00 -0.41 0.00 0.00 32.23 33.06 1lby h LYS 164 CO 0.45 0.01 -0.82 1.03 -2.27 0.00 0.00 179.45 177.84 1lby s ARG 165 N -3.20 1.16 -0.07 1.90 0.52 -0.99 -4.98 118.95 113.28 1lby s ARG 165 Ca -0.10 -0.97 0.02 0.00 -0.52 0.00 0.00 55.73 54.17 1lby s ARG 165 Cb 0.00 -1.28 0.01 0.00 0.52 0.00 0.00 34.95 34.20 1lby s ARG 165 CO 0.35 0.31 -0.14 -1.64 0.02 0.00 0.00 175.30 174.21 1lby s MET 166 N -1.43 1.92 0.01 3.54 -1.94 -1.26 -1.90 119.30 118.23 1lby s MET 166 Ca 0.05 -0.48 -0.01 0.00 -1.71 0.00 0.00 55.69 53.53 1lby s MET 166 Cb -0.09 -1.56 -0.01 0.00 2.01 0.00 0.00 34.83 35.18 1lby s MET 166 CO 0.02 0.04 0.01 1.03 -0.01 0.00 0.00 175.02 176.11 1lby s ARG 167 N 0.64 0.33 -0.32 2.03 1.81 -0.74 -5.02 118.95 117.69 1lby s ARG 167 Ca -0.15 -0.53 -0.01 0.00 -1.72 0.00 0.00 55.73 53.32 1lby s ARG 167 Cb -0.16 0.12 0.13 0.00 -0.45 0.00 0.00 34.95 34.59 1lby s ARG 167 CO 0.04 -0.06 0.23 0.42 -0.68 0.00 0.00 175.30 175.25 1lby s ILE 168 N -1.36 -0.14 -0.27 1.52 1.01 -1.26 -2.14 121.20 118.55 1lby s ILE 168 Ca -0.15 -0.98 0.23 0.00 0.00 0.00 0.00 60.65 59.75 1lby s ILE 168 Cb -0.09 -0.96 0.01 0.00 0.01 0.00 0.00 42.46 41.42 1lby s ILE 168 CO -0.00 -0.71 1.07 -0.26 0.00 0.00 0.00 174.94 175.04 1lby h PHE 169 N 7.79 0.00 -0.68 3.97 -1.00 -2.00 -3.49 116.94 121.52 1lby h PHE 169 Ca -0.07 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.71 1lby h PHE 169 Cb 1.02 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.58 1lby h PHE 169 CO 0.33 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.44 1lby n GLY 170 N 1.19 0.91 3.11 -1.45 0.00 -1.26 -4.97 105.19 102.73 1lby n GLY 170 Ca 0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 46.02 45.60 1lby n GLY 170 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1lby s SER 171 N -2.55 -1.04 0.27 1.61 0.15 -1.26 -3.82 113.70 107.06 1lby s SER 171 Ca 0.00 -0.96 -0.01 0.00 0.70 0.00 0.00 55.95 55.68 1lby s SER 171 Cb 0.00 1.70 0.49 0.00 -1.71 0.00 0.00 66.02 66.51 1lby s SER 171 CO 0.00 -0.18 1.82 0.00 1.20 0.00 0.00 173.24 176.08 1lby h ALA 172 N 6.95 1.37 -0.32 5.45 0.00 -1.93 0.17 119.26 130.95 1lby h ALA 172 Ca 0.05 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1lby h ALA 172 Cb 1.15 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1lby h ALA 172 CO 0.12 0.16 0.08 0.00 0.00 0.00 0.00 179.25 179.61 1lby h ALA 173 N 1.51 0.43 -0.21 0.00 0.00 -1.89 -2.43 119.26 116.67 1lby h ALA 173 Ca 0.46 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 55.03 1lby h ALA 173 Cb 0.45 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1lby h ALA 173 CO -0.26 0.09 -0.52 1.15 0.00 0.00 0.00 179.25 179.71 1lby h THR 174 N 0.37 1.31 -0.39 0.00 2.02 -1.74 -2.49 112.91 111.98 1lby h THR 174 Ca 0.10 -1.75 -0.11 0.00 0.77 0.00 0.00 66.41 65.42 1lby h THR 174 Cb 0.30 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 1lby h THR 174 CO 0.00 0.55 -0.21 -0.33 0.37 0.00 0.00 175.52 175.90 1lby h GLU 175 N 0.46 0.76 -0.23 6.66 5.08 -0.67 0.73 114.58 127.38 1lby h GLU 175 Ca 0.01 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 1lby h GLU 175 Cb 1.07 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 1lby h GLU 175 CO 0.10 0.91 0.08 -0.07 -1.00 0.00 0.00 179.01 179.03 1lby h LEU 176 N 0.67 0.28 -0.05 1.33 3.38 -1.27 0.28 115.31 119.93 1lby h LEU 176 Ca 0.10 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 1lby h LEU 176 Cb 0.71 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1lby h LEU 176 CO 0.05 0.27 -0.44 0.00 0.09 0.00 0.00 178.44 178.41 1lby h PHE 178 N 0.00 0.00 -0.01 0.00 0.05 0.30 -1.64 116.94 115.65 1lby h PHE 178 Ca -0.00 0.00 -0.12 0.00 3.82 0.00 0.00 57.97 61.67 1lby h PHE 178 Cb 1.32 0.00 0.01 0.00 2.00 0.00 0.00 35.95 39.28 1lby h PHE 178 CO 0.00 0.32 -0.46 0.35 -0.18 0.00 0.00 178.31 178.34 1lby h PHE 179 N 0.00 0.48 -0.96 -0.55 -0.00 0.04 -2.82 116.94 113.13 1lby h PHE 179 Ca -0.00 -0.26 0.15 0.00 -0.00 0.00 0.00 57.97 57.86 1lby h PHE 179 Cb 0.58 -0.06 -0.08 0.00 -0.00 0.00 0.00 35.95 36.39 1lby h PHE 179 CO 0.00 1.06 0.61 0.00 -0.00 0.00 0.00 178.31 179.98 1lby h ALA 180 N 0.31 1.70 0.00 2.41 0.00 -0.71 -1.77 119.26 121.20 1lby h ALA 180 Ca -0.06 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1lby h ALA 180 Cb 1.19 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1lby h ALA 180 CO 0.09 0.03 -0.14 -0.44 0.00 0.00 0.00 179.25 178.79 1lby h ASP 181 N 0.81 0.00 0.00 0.00 3.32 -1.39 -2.96 116.42 116.20 1lby h ASP 181 Ca 0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.54 1lby h ASP 181 Cb 0.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.23 1lby h ASP 181 CO -0.26 0.14 0.00 0.61 -1.72 0.00 0.00 179.24 178.01 1lby n GLY 182 N 0.37 0.46 0.38 2.75 0.00 -0.67 -4.53 105.19 103.96 1lby n GLY 182 Ca 0.01 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.19 1lby n GLY 182 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1lby h SER 183 N 0.00 0.53 -4.18 1.61 0.02 -1.75 -3.40 113.55 106.38 1lby h SER 183 Ca 0.00 0.04 -0.45 0.00 -0.84 0.00 0.00 61.79 60.54 1lby h SER 183 Cb 0.00 -0.06 -0.28 0.00 0.14 0.00 0.00 62.40 62.20 1lby h SER 183 CO 0.00 0.24 -0.80 -0.36 -1.14 0.00 0.00 176.83 174.77 1lby s PHE 184 N -5.56 1.12 -0.65 3.45 0.40 -1.08 -4.99 117.98 110.67 1lby s PHE 184 Ca -0.09 -0.23 0.25 0.00 -0.60 0.00 0.00 56.93 56.26 1lby s PHE 184 Cb 0.22 -0.71 0.64 0.00 0.51 0.00 0.00 43.02 43.69 1lby s PHE 184 CO 0.78 -0.01 1.67 -0.44 0.70 0.00 0.00 175.22 177.92 1lby h ASP 185 N 5.68 0.00 -5.09 1.36 3.32 -0.23 -3.40 116.42 118.05 1lby h ASP 185 Ca -0.34 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.69 1lby h ASP 185 Cb 1.17 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.67 1lby h ASP 185 CO 0.48 0.01 0.12 0.00 -1.72 0.00 0.00 179.24 178.13 1lby s PHE 187 N -3.63 -0.17 -0.07 0.00 5.36 -0.85 -2.49 117.98 116.12 1lby s PHE 187 Ca 0.16 0.47 -0.03 0.00 -0.96 0.00 0.00 56.93 56.56 1lby s PHE 187 Cb -0.04 -0.02 0.04 0.00 -0.34 0.00 0.00 43.02 42.66 1lby s PHE 187 CO 0.09 -0.14 0.16 -0.51 -1.46 0.00 0.00 175.22 173.36 1lby s LEU 188 N 0.78 0.56 -0.56 6.12 1.43 -0.39 -1.70 118.68 124.91 1lby s LEU 188 Ca -0.06 0.34 0.04 0.00 -1.03 0.00 0.00 54.13 53.42 1lby s LEU 188 Cb -0.08 0.40 0.14 0.00 0.03 0.00 0.00 46.19 46.68 1lby s LEU 188 CO -0.04 -0.17 0.32 -0.62 0.23 0.00 0.00 176.35 176.08 1lby s ASP 189 N 1.36 4.36 -0.24 2.29 -1.08 0.97 0.42 116.67 124.74 1lby s ASP 189 Ca -0.07 -3.21 0.13 0.00 -0.52 0.00 0.00 52.55 48.88 1lby s ASP 189 Cb -0.12 -1.58 0.54 0.00 -1.46 0.00 0.00 42.92 40.31 1lby s ASP 189 CO -0.06 -0.19 1.48 2.30 0.52 0.00 0.00 175.17 179.21 1lby n ILE 190 N 2.84 2.45 -2.18 4.11 -6.64 0.09 -1.33 119.36 118.70 1lby n ILE 190 Ca 0.09 -2.17 -0.42 0.00 -1.77 0.00 0.00 62.75 58.48 1lby n ILE 190 Cb 0.33 -0.29 -0.03 0.00 -1.44 0.00 0.00 39.64 38.21 1lby n ILE 190 CO 0.00 0.00 0.00 -0.13 -1.77 0.00 0.00 176.55 174.65 1lby s ARG 191 N -3.00 4.31 0.49 6.28 0.52 -1.07 -4.80 118.95 121.68 1lby s ARG 191 Ca 0.44 2.06 0.18 0.00 -0.52 0.00 0.00 55.73 57.88 1lby s ARG 191 Cb 0.37 -3.31 1.20 0.00 0.52 0.00 0.00 34.95 33.73 1lby s ARG 191 CO 0.06 -0.46 2.03 -1.35 0.02 0.00 0.00 175.30 175.60 1lby h PRO 192 N 7.00 0.18 -6.03 3.54 0.11 -1.94 -2.88 132.00 131.98 1lby h PRO 192 Ca -0.41 -0.01 -0.53 0.00 0.11 0.00 0.00 66.00 65.15 1lby h PRO 192 Cb 1.20 -0.04 -0.09 0.00 0.11 0.00 0.00 31.00 32.19 1lby h PRO 192 CO 0.87 0.12 1.33 0.20 -0.21 0.00 0.00 178.00 180.30 1lby s GLY 193 N -3.93 1.02 -0.83 -0.55 0.00 -1.26 -4.91 107.32 96.85 1lby s GLY 193 Ca -0.06 -2.08 -0.21 0.00 0.00 0.00 0.00 44.72 42.36 1lby s GLY 193 CO 0.72 2.87 2.36 1.17 0.00 0.00 0.00 173.10 180.22 1lby n LYS 194 N 8.89 0.42 0.01 2.90 4.81 -1.09 -4.70 118.16 129.40 1lby n LYS 194 Ca 0.34 -0.47 0.11 0.00 -0.87 0.00 0.00 58.31 57.42 1lby n LYS 194 Cb 0.50 -2.77 -0.13 0.00 0.02 0.00 0.00 35.03 32.64 1lby n LYS 194 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1lby n MET 195 N 7.86 0.65 -2.15 1.64 2.81 -1.25 -4.31 117.12 122.36 1lby n MET 195 Ca 0.53 -0.12 -0.39 0.00 -1.81 0.00 0.00 57.70 55.91 1lby n MET 195 Cb 0.34 -1.59 -0.01 0.00 -0.71 0.00 0.00 33.22 31.24 1lby n MET 195 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1lby s LEU 196 N -4.73 4.26 0.35 4.03 1.43 -1.04 -4.77 118.68 118.22 1lby s LEU 196 Ca -0.06 2.55 0.05 0.00 -1.03 0.00 0.00 54.13 55.64 1lby s LEU 196 Cb 0.13 -3.88 -0.01 0.00 0.03 0.00 0.00 46.19 42.46 1lby s LEU 196 CO 0.88 -0.71 0.50 -0.13 0.23 0.00 0.00 176.35 177.12 1lby s ARG 197 N -2.14 3.11 0.32 1.70 1.81 -1.26 0.26 118.95 122.75 1lby s ARG 197 Ca 0.55 -0.91 0.03 0.00 -1.72 0.00 0.00 55.73 53.68 1lby s ARG 197 Cb -0.36 -2.78 0.54 0.00 -0.45 0.00 0.00 34.95 31.90 1lby s ARG 197 CO 0.46 0.01 1.84 0.97 -0.68 0.00 0.00 175.30 177.90 1lby h ILE 198 N 0.81 1.21 0.00 1.52 6.09 -1.87 -2.29 117.51 122.98 1lby h ILE 198 Ca -0.46 -0.87 -0.01 0.00 -1.37 0.00 0.00 64.86 62.16 1lby h ILE 198 Cb 1.26 0.97 -0.00 0.00 0.47 0.00 0.00 36.82 39.51 1lby h ILE 198 CO 0.54 0.30 -0.03 0.10 -3.07 0.00 0.00 178.15 175.98 1lby h TYR 199 N 0.54 0.00 0.00 2.19 -0.00 -1.87 0.47 116.97 118.29 1lby h TYR 199 Ca 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.82 1lby h TYR 199 Cb 0.38 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.11 1lby h TYR 199 CO 0.01 0.03 -0.09 -0.44 -0.00 0.00 0.00 178.16 177.67 1lby h ASP 200 N 0.00 0.00 0.00 0.10 3.32 -1.75 -3.38 116.42 114.72 1lby h ASP 200 Ca -0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1lby h ASP 200 Cb 1.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 1lby h ASP 200 CO 0.00 0.09 -1.24 0.00 -1.72 0.00 0.00 179.24 176.38 1lby n ALA 201 N -2.13 2.05 -0.05 3.45 0.00 -1.08 -2.78 120.51 119.97 1lby n ALA 201 Ca 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 53.44 53.27 1lby n ALA 201 Cb 0.49 -0.01 -0.01 0.00 0.00 0.00 0.00 19.45 19.91 1lby n ALA 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lby n ALA 202 N -1.87 -0.08 0.04 0.00 0.00 0.16 -0.92 120.51 117.84 1lby n ALA 202 Ca -0.03 0.10 -0.16 0.00 0.00 0.00 0.00 53.44 53.35 1lby n ALA 202 Cb 0.34 0.37 -0.06 0.00 0.00 0.00 0.00 19.45 20.10 1lby n ALA 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lby h ALA 203 N -0.71 0.29 -0.66 0.00 0.00 -1.83 -2.14 119.26 114.20 1lby h ALA 203 Ca 0.02 -0.68 -0.02 0.00 0.00 0.00 0.00 54.91 54.23 1lby h ALA 203 Cb 0.05 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1lby h ALA 203 CO -0.11 0.74 0.33 0.78 0.00 0.00 0.00 179.25 180.99 1lby h GLY 204 N 0.82 1.00 0.89 0.00 0.00 -1.75 0.52 103.07 104.55 1lby h GLY 204 Ca -0.09 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 1lby h GLY 204 CO 0.18 0.44 -0.08 -2.08 0.00 0.00 0.00 176.54 175.00 1lby h VAL 205 N 0.93 0.88 0.36 4.60 2.07 -0.98 1.11 116.25 125.22 1lby h VAL 205 Ca 0.23 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1lby h VAL 205 Cb 0.07 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1lby h VAL 205 CO -0.03 0.05 -0.50 0.15 0.02 0.00 0.00 177.57 177.26 1lby h PHE 206 N -0.34 -1.41 -0.79 1.57 3.57 -0.65 -1.21 116.94 117.68 1lby h PHE 206 Ca -0.02 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.60 1lby h PHE 206 Cb 0.27 0.57 -0.08 0.00 2.79 0.00 0.00 35.95 39.50 1lby h PHE 206 CO -0.03 -0.63 0.43 0.82 -2.23 0.00 0.00 178.31 176.66 1lby h ILE 207 N -0.90 0.86 -0.46 1.41 2.04 0.04 0.55 117.51 121.06 1lby h ILE 207 Ca -0.04 -0.24 0.10 0.00 1.00 0.00 0.00 64.86 65.69 1lby h ILE 207 Cb 0.82 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1lby h ILE 207 CO -0.14 0.13 0.32 0.00 0.00 0.00 0.00 178.15 178.45 1lby h ALA 208 N 1.46 2.22 0.08 1.87 0.00 0.18 -2.45 119.26 122.63 1lby h ALA 208 Ca 0.39 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 55.02 1lby h ALA 208 Cb 0.41 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.21 1lby h ALA 208 CO -0.27 -0.34 -1.09 0.93 0.00 0.00 0.00 179.25 178.48 1lby h GLU 209 N 0.16 0.59 0.00 0.00 5.08 0.29 0.13 114.58 120.83 1lby h GLU 209 Ca 0.22 -0.75 -0.05 0.00 -1.00 0.00 0.00 59.36 57.78 1lby h GLU 209 Cb 0.64 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1lby h GLU 209 CO -0.03 1.33 -0.24 0.87 -1.00 0.00 0.00 179.01 179.94 1lby h LYS 210 N 0.20 0.00 -0.05 2.33 1.79 -0.92 -1.43 116.57 118.50 1lby h LYS 210 Ca -0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 1lby h LYS 210 Cb 1.77 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.42 1lby h LYS 210 CO 0.21 0.24 0.00 0.00 -1.08 0.00 0.00 179.45 178.82 1lby n ALA 211 N -2.41 2.57 0.00 3.86 0.00 -1.05 -4.27 120.51 119.21 1lby n ALA 211 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1lby n ALA 211 Cb 0.31 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1lby n ALA 211 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lby n GLY 212 N 0.84 1.09 3.77 0.00 0.00 -0.54 0.47 105.19 110.82 1lby n GLY 212 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1lby n GLY 212 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1lby s GLY 213 N -2.08 2.88 -0.07 -0.02 0.00 0.43 -4.63 107.32 103.85 1lby s GLY 213 Ca 0.00 1.01 -0.17 0.00 0.00 0.00 0.00 44.72 45.56 1lby s GLY 213 CO 0.00 1.54 0.46 1.25 0.00 0.00 0.00 173.10 176.35 1lby s LYS 214 N -2.26 4.20 -0.08 2.90 2.20 0.20 -4.25 119.74 122.65 1lby s LYS 214 Ca 0.57 0.45 -0.03 0.00 -0.36 0.00 0.00 55.97 56.60 1lby s LYS 214 Cb -0.32 -3.35 0.04 0.00 -1.51 0.00 0.00 37.83 32.69 1lby s LYS 214 CO 0.40 0.36 0.16 0.08 -0.36 0.00 0.00 175.35 176.00 1lby s VAL 215 N -0.05 -0.16 0.36 4.02 1.01 -1.26 -0.01 120.40 124.31 1lby s VAL 215 Ca 0.25 0.26 -0.01 0.00 0.00 0.00 0.00 61.98 62.48 1lby s VAL 215 Cb -0.16 -0.28 0.01 0.00 0.00 0.00 0.00 36.38 35.95 1lby s VAL 215 CO 0.12 0.11 0.48 0.35 0.00 0.00 0.00 175.10 176.16 1lby n THR 216 N 4.75 0.00 -0.75 3.92 -2.24 -0.53 -4.61 114.28 114.83 1lby n THR 216 Ca -0.16 -1.85 -0.04 0.00 -2.27 0.00 0.00 64.05 59.72 1lby n THR 216 Cb 0.51 1.12 0.03 0.00 -2.10 0.00 0.00 70.33 69.89 1lby n THR 216 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1lby n GLU 217 N -0.59 -0.95 0.26 -0.78 4.07 0.86 -2.48 120.64 121.03 1lby n GLU 217 Ca 0.01 -0.26 -0.16 0.00 -0.06 0.00 0.00 57.16 56.69 1lby n GLU 217 Cb 0.60 -0.22 -0.08 0.00 -0.06 0.00 0.00 31.44 31.68 1lby n GLU 217 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1lby h LEU 218 N 0.00 -0.60 -0.62 4.31 3.38 -1.88 -2.08 115.31 117.82 1lby h LEU 218 Ca -0.06 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1lby h LEU 218 Cb 0.17 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1lby h LEU 218 CO 0.04 -0.40 0.00 -0.90 0.09 0.00 0.00 178.44 177.27 1lby n ASP 219 N -5.38 0.77 0.00 -0.43 5.68 -1.26 -4.80 116.55 111.13 1lby n ASP 219 Ca -0.11 -2.03 0.00 0.00 -0.50 0.00 0.00 54.79 52.15 1lby n ASP 219 Cb 0.28 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 1lby n ASP 219 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1lby n GLY 220 N 0.40 0.74 3.72 6.12 0.00 -0.78 -5.01 105.19 110.37 1lby n GLY 220 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1lby n GLY 220 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lby s GLU 221 N -0.21 2.07 0.59 1.61 2.02 -1.26 -4.55 118.70 118.97 1lby s GLU 221 Ca 0.00 1.79 -0.17 0.00 0.02 0.00 0.00 54.97 56.61 1lby s GLU 221 Cb 0.00 -1.82 -0.04 0.00 0.10 0.00 0.00 34.13 32.37 1lby s GLU 221 CO 0.00 -1.90 1.10 0.45 0.02 0.00 0.00 175.26 174.93 1lby s SER 222 N -1.99 5.58 -0.00 -0.19 0.15 -1.26 -0.10 113.70 115.89 1lby s SER 222 Ca 0.75 2.01 0.17 0.00 0.70 0.00 0.00 55.95 59.57 1lby s SER 222 Cb -0.30 -2.56 0.48 0.00 -1.71 0.00 0.00 66.02 61.93 1lby s SER 222 CO 0.46 -1.31 1.40 0.18 1.20 0.00 0.00 173.24 175.16 1lby n LEU 223 N -1.83 2.89 -0.25 3.45 4.77 -1.26 -4.56 117.00 120.21 1lby n LEU 223 Ca 0.10 -1.45 -0.06 0.00 -0.03 0.00 0.00 56.01 54.57 1lby n LEU 223 Cb 0.52 -0.36 0.05 0.00 -2.33 0.00 0.00 43.42 41.30 1lby n LEU 223 CO 0.45 0.72 1.03 1.23 -1.33 0.00 0.00 177.39 179.49 1lby h GLY 224 N 4.82 1.11 -1.13 -0.72 0.00 -1.92 -2.93 103.07 102.31 1lby h GLY 224 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 46.74 1lby h GLY 224 CO 0.00 0.56 0.00 0.70 0.00 0.00 0.00 176.54 177.80 1lby n ASN 225 N -4.39 1.91 -4.69 0.19 3.02 -1.26 -1.55 115.26 108.48 1lby n ASN 225 Ca 0.05 -1.84 -0.44 0.00 -0.03 0.00 0.00 54.58 52.33 1lby n ASN 225 Cb 0.16 -0.17 -0.03 0.00 -0.61 0.00 0.00 39.78 39.13 1lby n ASN 225 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1lby n LYS 226 N 0.50 2.39 -3.45 3.52 4.76 -1.11 -4.78 118.16 119.99 1lby n LYS 226 Ca 0.15 0.86 -0.19 0.00 -2.87 0.00 0.00 58.31 56.26 1lby n LYS 226 Cb 0.34 -2.63 -0.00 0.00 -1.84 0.00 0.00 35.03 30.89 1lby n LYS 226 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1lby s LYS 227 N 0.59 3.11 0.00 1.97 1.02 -1.26 -1.81 119.74 123.36 1lby s LYS 227 Ca 0.74 -1.02 0.00 0.00 0.02 0.00 0.00 55.97 55.71 1lby s LYS 227 Cb -0.60 -2.82 0.00 0.00 -0.52 0.00 0.00 37.83 33.89 1lby s LYS 227 CO 0.39 0.05 0.00 1.19 -0.92 0.00 0.00 175.35 176.06 1lby n PHE 228 N -1.65 0.00 0.02 3.18 0.99 -0.98 -4.57 117.46 114.45 1lby n PHE 228 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1lby n PHE 228 Cb 0.58 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.06 1lby n PHE 228 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 1lby n ASP 229 N -0.56 0.01 -4.37 4.37 5.75 -1.26 -4.36 116.55 116.12 1lby n ASP 229 Ca 0.00 -0.03 -0.22 0.00 -0.01 0.00 0.00 54.79 54.53 1lby n ASP 229 Cb 0.00 -0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 39.98 1lby n ASP 229 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 1lby s MET 230 N -1.46 1.39 -0.93 0.11 -1.94 -1.26 -5.00 119.30 110.20 1lby s MET 230 Ca 0.00 -1.52 -0.03 0.00 -1.71 0.00 0.00 55.69 52.43 1lby s MET 230 Cb 0.00 -1.43 0.23 0.00 2.01 0.00 0.00 34.83 35.64 1lby s MET 230 CO 0.00 0.28 0.84 -0.65 -0.01 0.00 0.00 175.02 175.48 1lby s GLN 231 N -3.07 3.43 0.48 2.03 -1.52 -1.26 -4.90 119.66 114.84 1lby s GLN 231 Ca 0.20 -3.29 -0.22 0.00 -1.95 0.00 0.00 55.36 50.10 1lby s GLN 231 Cb -0.05 -4.05 -0.09 0.00 -0.22 0.00 0.00 33.01 28.60 1lby s GLN 231 CO 0.08 -1.26 0.83 -1.91 -0.25 0.00 0.00 175.29 172.78 1lby n GLU 232 N 2.35 0.97 -4.56 2.91 4.07 -1.26 -5.09 120.64 120.02 1lby n GLU 232 Ca 0.22 0.36 -0.22 0.00 -0.06 0.00 0.00 57.16 57.46 1lby n GLU 232 Cb 0.37 -1.91 -0.16 0.00 -0.06 0.00 0.00 31.44 29.69 1lby n GLU 232 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1lby s ARG 233 N -2.09 1.22 -0.01 5.31 1.81 -1.26 -4.35 118.95 119.58 1lby s ARG 233 Ca 0.67 -0.43 0.03 0.00 -1.72 0.00 0.00 55.73 54.28 1lby s ARG 233 Cb -0.52 -1.12 -0.00 0.00 -0.45 0.00 0.00 34.95 32.86 1lby s ARG 233 CO 0.55 0.18 -0.10 -0.51 -0.68 0.00 0.00 175.30 174.74 1lby s LEU 234 N 0.05 1.95 -0.00 2.53 1.43 0.14 -4.95 118.68 119.82 1lby s LEU 234 Ca -0.02 -0.18 0.06 0.00 -1.03 0.00 0.00 54.13 52.96 1lby s LEU 234 Cb -0.09 -0.53 -0.03 0.00 0.03 0.00 0.00 46.19 45.58 1lby s LEU 234 CO 0.01 0.11 -0.17 0.20 0.23 0.00 0.00 176.35 176.72 1lby s ASN 235 N -0.10 3.82 0.01 2.29 0.01 -1.26 -2.49 114.94 117.22 1lby s ASN 235 Ca 0.02 -0.34 0.01 0.00 -0.71 0.00 0.00 52.86 51.84 1lby s ASN 235 Cb -0.05 -0.68 -0.01 0.00 0.41 0.00 0.00 41.25 40.92 1lby s ASN 235 CO -0.00 0.30 -0.04 -0.63 -1.51 0.00 0.00 177.10 175.21 1lby s ILE 236 N -0.81 0.33 -0.30 0.60 1.09 -0.44 -4.34 121.20 117.32 1lby s ILE 236 Ca 0.13 -0.38 0.02 0.00 -1.10 0.00 0.00 60.65 59.31 1lby s ILE 236 Cb -0.10 -0.32 0.09 0.00 -1.06 0.00 0.00 42.46 41.06 1lby s ILE 236 CO 0.03 -0.05 0.02 -0.69 -0.10 0.00 0.00 174.94 174.15 1lby s VAL 237 N -0.43 1.73 -0.17 2.92 1.01 -1.03 -0.02 120.40 124.41 1lby s VAL 237 Ca -0.02 -1.76 -0.02 0.00 0.00 0.00 0.00 61.98 60.17 1lby s VAL 237 Cb -0.04 -2.17 0.05 0.00 0.00 0.00 0.00 36.38 34.22 1lby s VAL 237 CO -0.00 -0.44 0.02 0.00 0.00 0.00 0.00 175.10 174.68 1lby s ALA 238 N 1.22 1.01 0.31 5.51 0.00 -0.69 -1.45 121.76 127.67 1lby s ALA 238 Ca 0.05 -0.62 -0.10 0.00 0.00 0.00 0.00 51.96 51.28 1lby s ALA 238 Cb -0.19 -1.10 0.01 0.00 0.00 0.00 0.00 23.12 21.84 1lby s ALA 238 CO -0.11 -1.01 0.56 0.00 0.00 0.00 0.00 175.76 175.19 1lby s ALA 239 N 1.85 -0.07 1.19 0.00 0.00 0.99 -2.00 121.76 123.72 1lby s ALA 239 Ca 0.00 -1.03 -0.14 0.00 0.00 0.00 0.00 51.96 50.79 1lby s ALA 239 Cb -0.16 1.00 0.29 0.00 0.00 0.00 0.00 23.12 24.25 1lby s ALA 239 CO -0.07 -0.87 1.02 0.54 0.00 0.00 0.00 175.76 176.37 1lby s ASN 240 N -3.10 0.80 0.64 0.00 4.22 -1.26 0.59 114.94 116.83 1lby s ASN 240 Ca 0.23 1.35 0.38 0.00 -2.14 0.00 0.00 52.86 52.68 1lby s ASN 240 Cb -0.02 -2.09 2.14 0.00 1.28 0.00 0.00 41.25 42.56 1lby s ASN 240 CO 0.13 -4.29 2.29 -0.33 -2.04 0.00 0.00 177.10 172.87 1lby h GLU 241 N -2.68 0.00 0.00 3.55 4.39 -1.91 -2.21 114.58 115.72 1lby h GLU 241 Ca -0.60 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 58.97 1lby h GLU 241 Cb 1.34 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.97 1lby h GLU 241 CO 0.49 0.00 -0.86 0.87 -1.16 0.00 0.00 179.01 178.35 1lby h LYS 242 N 0.00 0.00 -0.05 2.33 1.57 -1.94 -3.37 116.57 115.11 1lby h LYS 242 Ca 0.01 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 1lby h LYS 242 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1lby h LYS 242 CO -0.00 0.71 -0.27 1.25 -0.57 0.00 0.00 179.45 180.57 1lby h LEU 243 N -1.00 0.09 -0.70 2.94 5.85 -1.80 -3.32 115.31 117.38 1lby h LEU 243 Ca -0.21 -0.02 0.14 0.00 0.84 0.00 0.00 57.88 58.63 1lby h LEU 243 Cb 1.01 -0.02 -0.13 0.00 0.37 0.00 0.00 40.66 41.88 1lby h LEU 243 CO -0.12 0.36 -0.16 -0.74 -0.34 0.00 0.00 178.44 177.44 1lby h HIS 244 N 0.08 -0.35 -0.20 1.25 2.76 -1.56 -0.15 115.15 116.98 1lby h HIS 244 Ca 0.01 0.06 -0.10 0.00 -2.20 0.00 0.00 60.37 58.15 1lby h HIS 244 Cb 0.53 0.26 -0.01 0.00 1.55 0.00 0.00 27.41 29.74 1lby h HIS 244 CO 0.00 -0.30 -0.29 -1.00 -1.30 0.00 0.00 177.93 175.05 1lby h PRO 245 N 0.01 0.39 -0.42 5.26 0.13 -1.77 -2.52 132.00 133.08 1lby h PRO 245 Ca 0.34 -0.15 -0.11 0.00 -0.87 0.00 0.00 66.00 65.20 1lby h PRO 245 Cb 0.52 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.62 1lby h PRO 245 CO -0.72 0.65 -0.20 0.87 -0.23 0.00 0.00 178.00 178.38 1lby h LYS 246 N 0.35 0.82 0.03 0.86 1.57 -1.25 -0.67 116.57 118.28 1lby h LYS 246 Ca 0.05 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1lby h LYS 246 Cb 0.69 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1lby h LYS 246 CO 0.05 0.95 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.80 1lby h LEU 247 N 0.72 -0.03 -0.89 2.94 3.38 -1.20 0.29 115.31 120.51 1lby h LEU 247 Ca 0.10 -0.20 0.24 0.00 0.09 0.00 0.00 57.88 58.11 1lby h LEU 247 Cb 0.72 0.01 -0.15 0.00 0.09 0.00 0.00 40.66 41.33 1lby h LEU 247 CO 0.06 0.18 0.22 -0.07 0.09 0.00 0.00 178.44 178.92 1lby h LEU 248 N -0.25 -0.04 -0.24 1.67 3.38 -1.33 0.35 115.31 118.87 1lby h LEU 248 Ca -0.00 0.21 -0.15 0.00 0.09 0.00 0.00 57.88 58.02 1lby h LEU 248 Cb 0.23 0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1lby h LEU 248 CO 0.01 -0.18 -0.44 -0.33 0.09 0.00 0.00 178.44 177.59 1lby h GLU 249 N 0.18 0.71 -0.98 1.13 4.39 -0.60 -2.95 114.58 116.46 1lby h GLU 249 Ca 0.56 -0.45 0.15 0.00 0.34 0.00 0.00 59.36 59.96 1lby h GLU 249 Cb 1.15 0.05 -0.09 0.00 -0.10 0.00 0.00 28.75 29.76 1lby h GLU 249 CO -0.68 1.07 0.62 1.25 -1.16 0.00 0.00 179.01 180.11 1lby h LEU 250 N 0.44 0.83 0.00 1.33 5.85 0.34 -2.72 115.31 121.38 1lby h LEU 250 Ca 0.01 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1lby h LEU 250 Cb 1.04 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.97 1lby h LEU 250 CO 0.10 0.39 -1.81 2.30 -0.34 0.00 0.00 178.44 179.08 1lby n ILE 251 N -4.65 0.09 0.00 4.05 -5.35 -0.66 -5.08 119.36 107.75 1lby n ILE 251 Ca 0.20 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 62.20 1lby n ILE 251 Cb 0.45 -0.01 0.00 0.00 -1.74 0.00 0.00 39.64 38.34 1lby n ILE 251 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96