#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l9a s ILE 2 N 0.00 4.06 -0.40 1.12 1.01 -1.26 -1.65 121.20 124.08 1l9a s ILE 2 Ca 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 60.65 60.33 1l9a s ILE 2 Cb 0.00 -2.82 0.10 0.00 0.01 0.00 0.00 42.46 39.75 1l9a s ILE 2 CO 0.00 0.45 0.19 -0.63 0.00 0.00 0.00 174.94 174.95 1l9a s ILE 3 N 0.75 3.35 -0.04 2.92 1.01 -0.83 -5.04 121.20 123.33 1l9a s ILE 3 Ca 0.00 -1.95 -0.30 0.00 0.00 0.00 0.00 60.65 58.41 1l9a s ILE 3 Cb -0.14 -3.25 -0.03 0.00 0.01 0.00 0.00 42.46 39.05 1l9a s ILE 3 CO 0.02 -0.63 1.03 0.26 0.00 0.00 0.00 174.94 175.62 1l9a s TRP 4 N 1.18 3.55 0.43 3.97 0.52 -1.26 -2.56 118.94 124.76 1l9a s TRP 4 Ca 0.07 1.59 0.19 0.00 0.02 0.00 0.00 56.10 57.96 1l9a s TRP 4 Cb -0.23 -3.19 1.13 0.00 -1.15 0.00 0.00 33.47 30.02 1l9a s TRP 4 CO -0.03 -0.30 1.86 -1.35 0.02 0.00 0.00 176.95 177.15 1l9a h PRO 5 N 6.96 0.35 -0.78 4.98 0.11 -1.87 -0.63 132.00 141.12 1l9a h PRO 5 Ca -0.37 -0.02 0.23 0.00 0.11 0.00 0.00 66.00 65.95 1l9a h PRO 5 Cb 1.19 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 1l9a h PRO 5 CO 0.80 0.23 0.57 0.77 -0.21 0.00 0.00 178.00 180.17 1l9a h SER 6 N 0.36 0.00 -0.20 -2.05 0.02 -1.93 -2.04 113.55 107.72 1l9a h SER 6 Ca 0.46 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.46 1l9a h SER 6 Cb 1.20 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 1l9a h SER 6 CO -0.16 0.00 0.24 1.88 -1.14 0.00 0.00 176.83 177.66 1l9a h TYR 7 N 0.00 0.00 0.00 3.45 0.05 -1.28 -2.56 116.97 116.63 1l9a h TYR 7 Ca 0.37 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.15 1l9a h TYR 7 Cb 1.52 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.26 1l9a h TYR 7 CO 0.00 0.00 -0.01 0.44 -1.05 0.00 0.00 178.16 177.54 1l9a n ILE 8 N -3.67 0.81 -2.67 -2.88 -5.35 -0.77 -0.90 119.36 103.92 1l9a n ILE 8 Ca 0.02 -0.83 -0.43 0.00 -0.27 0.00 0.00 62.75 61.25 1l9a n ILE 8 Cb 0.37 0.58 -0.02 0.00 -1.74 0.00 0.00 39.64 38.82 1l9a n ILE 8 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1l9a s ASP 9 N -0.86 7.21 0.40 7.28 -1.08 -1.13 -0.52 116.67 127.96 1l9a s ASP 9 Ca 0.01 1.51 0.21 0.00 -0.52 0.00 0.00 52.55 53.76 1l9a s ASP 9 Cb 0.01 -2.55 0.73 0.00 -1.46 0.00 0.00 42.92 39.65 1l9a s ASP 9 CO 0.00 -0.49 1.75 0.50 0.52 0.00 0.00 175.17 177.45 1l9a h LYS 10 N 7.18 0.00 0.00 4.34 3.64 -1.34 -3.01 116.57 127.38 1l9a h LYS 10 Ca -0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1l9a h LYS 10 Cb 1.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1l9a h LYS 10 CO 0.88 0.32 0.00 1.63 -2.27 0.00 0.00 179.45 180.01 1l9a n LYS 11 N -3.46 0.15 -3.94 1.90 4.76 -1.26 -4.77 118.16 111.55 1l9a n LYS 11 Ca 0.00 0.19 -0.36 0.00 -2.87 0.00 0.00 58.31 55.26 1l9a n LYS 11 Cb 0.49 -1.70 -0.07 0.00 -1.84 0.00 0.00 35.03 31.92 1l9a n LYS 11 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1l9a s LYS 12 N -3.09 3.47 1.30 1.97 1.02 -1.14 -5.10 119.74 118.16 1l9a s LYS 12 Ca 0.10 -0.18 -0.20 0.00 0.02 0.00 0.00 55.97 55.71 1l9a s LYS 12 Cb 0.14 -3.16 0.32 0.00 -0.52 0.00 0.00 37.83 34.61 1l9a s LYS 12 CO 0.52 0.70 1.02 -1.54 -0.92 0.00 0.00 175.35 175.13 1l9a s SER 13 N -0.82 0.05 -0.01 2.83 1.04 -1.26 -4.51 113.70 111.01 1l9a s SER 13 Ca 0.14 0.82 -0.25 0.00 0.48 0.00 0.00 55.95 57.13 1l9a s SER 13 Cb -0.12 -1.17 -0.20 0.00 0.10 0.00 0.00 66.02 64.64 1l9a s SER 13 CO 0.03 -4.68 1.28 -0.09 0.98 0.00 0.00 173.24 170.77 1l9a h ARG 14 N -2.96 0.03 0.00 4.02 9.65 -1.93 -2.42 114.38 120.78 1l9a h ARG 14 Ca -0.46 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.40 1l9a h ARG 14 Cb 1.32 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.90 1l9a h ARG 14 CO 0.34 0.50 0.00 -0.09 2.80 0.00 0.00 179.97 183.52 1l9a h ARG 15 N -0.43 0.00 -0.38 0.20 2.43 -1.94 -2.02 114.38 112.24 1l9a h ARG 15 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1l9a h ARG 15 Cb 0.49 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1l9a h ARG 15 CO 0.00 0.00 0.00 0.39 -1.51 0.00 0.00 179.97 178.85 1l9a n GLU 16 N -2.64 2.34 0.00 0.20 1.02 -1.11 -4.96 120.64 115.48 1l9a n GLU 16 Ca -0.02 -2.03 0.00 0.00 -0.02 0.00 0.00 57.16 55.09 1l9a n GLU 16 Cb 0.07 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 1l9a n GLU 16 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1l9a n GLY 17 N 1.43 3.39 3.31 0.62 0.00 -0.76 -4.86 105.19 108.33 1l9a n GLY 17 Ca 0.19 -0.59 -0.60 0.00 0.00 0.00 0.00 46.02 45.02 1l9a n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1l9a n ARG 18 N 0.00 0.00 -0.00 1.61 1.74 -0.93 -4.21 116.66 114.86 1l9a n ARG 18 Ca 0.00 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.16 1l9a n ARG 18 Cb 0.00 -1.36 -0.11 0.00 -1.02 0.00 0.00 32.46 29.97 1l9a n ARG 18 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1l9a n LYS 19 N 4.33 0.96 -4.04 5.56 4.81 -0.08 -4.56 118.16 125.14 1l9a n LYS 19 Ca 0.33 -0.10 -0.36 0.00 -0.87 0.00 0.00 58.31 57.31 1l9a n LYS 19 Cb -0.05 -1.32 -0.08 0.00 0.02 0.00 0.00 35.03 33.60 1l9a n LYS 19 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1l9a s VAL 20 N -2.87 5.01 0.97 3.15 1.01 -0.98 -5.05 120.40 121.63 1l9a s VAL 20 Ca -0.02 0.03 -0.14 0.00 0.00 0.00 0.00 61.98 61.85 1l9a s VAL 20 Cb 0.10 -3.18 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 1l9a s VAL 20 CO 0.64 0.58 0.03 -2.65 0.00 0.00 0.00 175.10 173.70 1l9a n PRO 21 N 2.38 -0.22 0.03 2.72 -0.02 -1.26 -4.63 135.00 134.01 1l9a n PRO 21 Ca -0.19 -0.04 -0.00 0.00 -2.02 0.00 0.00 63.50 61.26 1l9a n PRO 21 Cb 0.54 -1.60 0.30 0.00 -0.02 0.00 0.00 33.50 32.72 1l9a n PRO 21 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1l9a h GLU 22 N -1.40 0.44 0.00 -0.52 5.08 -1.98 -2.38 114.58 113.82 1l9a h GLU 22 Ca -0.44 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 1l9a h GLU 22 Cb 1.29 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1l9a h GLU 22 CO 0.31 0.53 0.00 0.93 -1.00 0.00 0.00 179.01 179.78 1l9a h GLU 23 N 0.41 0.00 -0.00 2.33 3.07 -2.03 -3.07 114.58 115.29 1l9a h GLU 23 Ca 0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 1l9a h GLU 23 Cb 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.32 1l9a h GLU 23 CO 0.02 0.00 -0.46 1.28 -1.40 0.00 0.00 179.01 178.45 1l9a n LEU 24 N -2.34 0.54 -4.77 1.33 4.32 -1.01 -5.04 117.00 110.03 1l9a n LEU 24 Ca 0.03 -0.52 -0.38 0.00 -0.02 0.00 0.00 56.01 55.12 1l9a n LEU 24 Cb 0.32 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.10 1l9a n LEU 24 CO 0.25 0.13 0.82 0.00 -1.22 0.00 0.00 177.39 177.37 1l9a s ALA 25 N -1.92 3.14 0.04 -1.18 0.00 -0.93 -4.71 121.76 116.20 1l9a s ALA 25 Ca 0.04 0.92 -0.07 0.00 0.00 0.00 0.00 51.96 52.85 1l9a s ALA 25 Cb 0.08 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.79 1l9a s ALA 25 CO 0.41 -0.47 0.31 0.42 0.00 0.00 0.00 175.76 176.43 1l9a s ILE 26 N -1.45 5.23 0.06 0.00 -1.09 0.32 -4.58 121.20 119.68 1l9a s ILE 26 Ca 0.57 0.22 -0.32 0.00 -2.23 0.00 0.00 60.65 58.89 1l9a s ILE 26 Cb -0.29 -3.60 -0.18 0.00 -1.58 0.00 0.00 42.46 36.81 1l9a s ILE 26 CO 0.37 0.31 1.54 -0.33 -1.23 0.00 0.00 174.94 175.60 1l9a h GLU 27 N 3.77 -0.83 -2.66 2.79 4.39 -1.95 -0.60 114.58 119.49 1l9a h GLU 27 Ca -0.49 0.06 -0.60 0.00 0.34 0.00 0.00 59.36 58.67 1l9a h GLU 27 Cb 1.19 0.19 -0.39 0.00 -0.10 0.00 0.00 28.75 29.64 1l9a h GLU 27 CO 0.67 -0.53 -0.84 0.15 -1.16 0.00 0.00 179.01 177.31 1l9a s LYS 28 N -5.80 1.12 0.30 2.33 1.02 -1.26 -4.55 119.74 112.90 1l9a s LYS 28 Ca -0.17 -2.06 -0.30 0.00 0.02 0.00 0.00 55.97 53.46 1l9a s LYS 28 Cb 0.03 -1.87 -0.11 0.00 -0.52 0.00 0.00 37.83 35.35 1l9a s LYS 28 CO 0.60 -1.28 1.56 -2.14 -0.92 0.00 0.00 175.35 173.17 1l9a s PRO 29 N 0.17 4.14 0.07 -1.68 0.02 -1.26 -5.01 135.00 131.45 1l9a s PRO 29 Ca 0.25 2.54 0.04 0.00 0.02 0.00 0.00 61.00 63.85 1l9a s PRO 29 Cb -0.10 -3.03 -0.03 0.00 0.02 0.00 0.00 34.50 31.36 1l9a s PRO 29 CO -0.10 -0.59 -0.11 -1.54 -0.33 0.00 0.00 177.00 174.34 1l9a s SER 30 N 0.38 1.36 0.55 2.53 1.04 -1.26 -5.03 113.70 113.26 1l9a s SER 30 Ca 0.61 -0.67 0.25 0.00 0.48 0.00 0.00 55.95 56.62 1l9a s SER 30 Cb -0.47 -0.00 1.47 0.00 0.10 0.00 0.00 66.02 67.12 1l9a s SER 30 CO 0.50 -0.19 2.06 -0.07 0.98 0.00 0.00 173.24 176.52 1l9a h LEU 31 N 4.06 0.00 0.07 2.42 3.38 -1.99 -1.81 115.31 121.44 1l9a h LEU 31 Ca -0.38 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 1l9a h LEU 31 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1l9a h LEU 31 CO 0.45 0.00 -0.03 0.50 0.09 0.00 0.00 178.44 179.45 1l9a h LYS 32 N 0.00 -0.09 -0.98 1.13 1.63 -1.98 -0.41 116.57 115.88 1l9a h LYS 32 Ca 0.15 0.01 0.26 0.00 -0.85 0.00 0.00 60.65 60.21 1l9a h LYS 32 Cb 0.65 0.02 -0.13 0.00 -0.60 0.00 0.00 32.23 32.17 1l9a h LYS 32 CO -0.00 0.43 0.54 -0.44 -3.45 0.00 0.00 179.45 176.52 1l9a h ASP 33 N -0.67 0.55 -0.00 4.20 3.32 -1.77 0.57 116.42 122.61 1l9a h ASP 33 Ca -0.01 0.15 -0.24 0.00 0.02 0.00 0.00 57.03 56.96 1l9a h ASP 33 Cb 0.56 0.09 0.02 0.00 0.22 0.00 0.00 39.33 40.21 1l9a h ASP 33 CO 0.02 0.02 -0.93 0.40 -1.72 0.00 0.00 179.24 177.02 1l9a h ILE 34 N 0.47 1.31 -0.79 0.35 2.04 -1.36 -2.20 117.51 117.34 1l9a h ILE 34 Ca 0.65 -2.20 -0.04 0.00 1.00 0.00 0.00 64.86 64.27 1l9a h ILE 34 Cb 1.29 2.42 -0.04 0.00 -0.74 0.00 0.00 36.82 39.76 1l9a h ILE 34 CO -0.52 0.67 0.33 -0.08 0.00 0.00 0.00 178.15 178.55 1l9a h GLU 35 N 0.28 1.16 -0.01 2.37 4.81 0.09 -1.48 114.58 121.80 1l9a h GLU 35 Ca -0.11 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 58.91 1l9a h GLU 35 Cb 1.60 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.78 1l9a h GLU 35 CO 0.18 0.93 -0.02 -0.22 -0.73 0.00 0.00 179.01 179.15 1l9a h LYS 36 N 1.14 0.02 -0.88 1.92 3.64 0.07 -1.56 116.57 120.92 1l9a h LYS 36 Ca 0.27 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.69 1l9a h LYS 36 Cb 0.19 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.95 1l9a h LYS 36 CO -0.02 0.66 0.55 0.00 -2.27 0.00 0.00 179.45 178.36 1l9a h ALA 37 N 0.37 1.22 -0.18 5.00 0.00 -1.42 -0.23 119.26 124.01 1l9a h ALA 37 Ca -0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1l9a h ALA 37 Cb 0.66 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1l9a h ALA 37 CO 0.00 0.29 -0.31 -0.07 0.00 0.00 0.00 179.25 179.16 1l9a h LEU 38 N 0.99 0.36 -0.72 0.00 3.38 -1.22 -2.24 115.31 115.86 1l9a h LEU 38 Ca 0.39 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 58.10 1l9a h LEU 38 Cb 0.19 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1l9a h LEU 38 CO -0.18 0.66 -0.62 0.11 0.09 0.00 0.00 178.44 178.51 1l9a h LYS 39 N 0.31 0.00 0.00 1.13 1.57 -0.62 -2.27 116.57 116.69 1l9a h LYS 39 Ca 0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1l9a h LYS 39 Cb 0.71 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 1l9a h LYS 39 CO 0.05 0.62 -0.06 -0.22 -0.57 0.00 0.00 179.45 179.27 1l9a h LYS 40 N 0.00 0.00 -0.27 3.15 1.63 -0.48 -2.19 116.57 118.41 1l9a h LYS 40 Ca -0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1l9a h LYS 40 Cb 1.12 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.75 1l9a h LYS 40 CO 0.08 0.06 0.00 1.28 -3.45 0.00 0.00 179.45 177.42 1l9a n LEU 41 N -3.22 2.04 -0.56 5.20 4.77 -0.98 -4.92 117.00 119.34 1l9a n LEU 41 Ca -0.00 -0.91 -0.05 0.00 -0.03 0.00 0.00 56.01 55.01 1l9a n LEU 41 Cb 0.30 -0.18 -0.01 0.00 -2.33 0.00 0.00 43.42 41.21 1l9a n LEU 41 CO 0.28 0.46 -0.06 0.61 -1.33 0.00 0.00 177.39 177.34 1l9a n GLY 42 N 1.18 0.35 3.81 -0.72 0.00 -0.82 -5.04 105.19 103.94 1l9a n GLY 42 Ca 0.16 -0.71 -0.24 0.00 0.00 0.00 0.00 46.02 45.22 1l9a n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1l9a s LEU 43 N -1.47 3.06 -0.41 0.99 1.02 -0.88 -5.04 118.68 115.95 1l9a s LEU 43 Ca 0.00 -1.06 0.04 0.00 0.02 0.00 0.00 54.13 53.12 1l9a s LEU 43 Cb 0.00 -1.50 0.11 0.00 0.02 0.00 0.00 46.19 44.82 1l9a s LEU 43 CO 0.00 -0.70 0.13 -1.83 0.02 0.00 0.00 176.35 173.97 1l9a s GLU 44 N -4.04 1.60 0.92 1.70 -1.05 -1.26 -4.13 118.70 112.45 1l9a s GLU 44 Ca 0.40 -2.10 -0.12 0.00 -0.15 0.00 0.00 54.97 53.00 1l9a s GLU 44 Cb 0.01 -3.14 0.14 0.00 -0.44 0.00 0.00 34.13 30.70 1l9a s GLU 44 CO 0.23 -1.01 1.10 -2.14 0.95 0.00 0.00 175.26 174.38 1l9a s PRO 45 N 0.50 1.08 -0.29 -4.83 0.02 -1.26 -4.54 135.00 125.67 1l9a s PRO 45 Ca 0.13 0.61 0.00 0.00 0.02 0.00 0.00 61.00 61.76 1l9a s PRO 45 Cb -0.22 -1.81 0.14 0.00 0.02 0.00 0.00 34.50 32.64 1l9a s PRO 45 CO -0.06 -2.31 0.34 0.21 -0.33 0.00 0.00 177.00 174.85 1l9a s LYS 46 N -5.03 0.36 0.34 5.54 2.47 -0.60 -4.92 119.74 117.91 1l9a s LYS 46 Ca 0.64 -0.02 -0.26 0.00 -1.56 0.00 0.00 55.97 54.76 1l9a s LYS 46 Cb -0.17 -0.53 -0.09 0.00 -1.46 0.00 0.00 37.83 35.58 1l9a s LYS 46 CO 0.56 -1.02 1.03 0.42 0.16 0.00 0.00 175.35 176.50 1l9a s ILE 47 N 2.43 3.82 -0.47 5.43 1.01 -1.26 -1.65 121.20 130.51 1l9a s ILE 47 Ca 0.09 1.54 0.03 0.00 0.00 0.00 0.00 60.65 62.31 1l9a s ILE 47 Cb -0.13 -3.87 0.15 0.00 0.01 0.00 0.00 42.46 38.63 1l9a s ILE 47 CO -0.31 0.15 0.32 -0.31 0.00 0.00 0.00 174.94 174.79 1l9a s TYR 48 N -1.51 1.83 0.16 3.97 1.51 -0.38 -4.99 117.35 117.93 1l9a s TYR 48 Ca 0.52 -2.47 -0.18 0.00 -1.01 0.00 0.00 57.07 53.93 1l9a s TYR 48 Cb -0.24 -1.59 0.07 0.00 -0.11 0.00 0.00 41.96 40.09 1l9a s TYR 48 CO 0.30 -0.76 1.67 0.00 -1.11 0.00 0.00 175.55 175.65 1l9a h ARG 49 N 6.14 -0.02 -5.39 -0.62 -0.00 -1.93 -2.97 114.38 109.58 1l9a h ARG 49 Ca 0.12 0.00 -0.65 0.00 -0.50 0.00 0.00 59.98 58.95 1l9a h ARG 49 Cb 0.89 0.01 -0.15 0.00 0.00 0.00 0.00 29.97 30.72 1l9a h ARG 49 CO 0.46 -0.02 0.87 -0.51 0.00 0.00 0.00 179.97 180.78 1l9a s ASP 50 N -5.20 6.46 -0.30 7.04 1.01 -1.26 -2.51 116.67 121.91 1l9a s ASP 50 Ca -0.14 -1.57 -0.22 0.00 0.71 0.00 0.00 52.55 51.33 1l9a s ASP 50 Cb 0.14 -2.44 0.19 0.00 1.01 0.00 0.00 42.92 41.82 1l9a s ASP 50 CO 0.70 -1.28 1.34 -0.54 0.21 0.00 0.00 175.17 175.60 1l9a s LYS 51 N 3.60 0.10 -0.05 8.23 -0.14 -1.25 -5.03 119.74 125.19 1l9a s LYS 51 Ca 0.32 0.13 0.02 0.00 -1.36 0.00 0.00 55.97 55.08 1l9a s LYS 51 Cb -0.08 0.04 0.02 0.00 -1.68 0.00 0.00 37.83 36.13 1l9a s LYS 51 CO -0.03 -0.01 -0.08 1.03 -0.76 0.00 0.00 175.35 175.50 1l9a s ARG 52 N 0.40 1.18 0.03 1.68 0.52 -1.26 -3.60 118.95 117.90 1l9a s ARG 52 Ca 0.02 -0.25 -0.32 0.00 -0.52 0.00 0.00 55.73 54.66 1l9a s ARG 52 Cb -0.04 -1.06 -0.10 0.00 0.52 0.00 0.00 34.95 34.26 1l9a s ARG 52 CO -0.13 -0.01 1.89 0.98 0.02 0.00 0.00 175.30 178.05 1l9a n TYR 53 N 3.83 2.48 -0.29 -0.53 9.36 -1.26 -4.84 117.16 125.91 1l9a n TYR 53 Ca -0.24 -0.18 0.30 0.00 3.32 0.00 0.00 57.90 61.10 1l9a n TYR 53 Cb 0.52 -2.73 0.67 0.00 -0.63 0.00 0.00 39.34 37.16 1l9a n TYR 53 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 1l9a h PRO 54 N 9.44 0.12 0.00 2.98 0.11 -1.97 0.11 132.00 142.79 1l9a h PRO 54 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1l9a h PRO 54 Cb 1.25 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1l9a h PRO 54 CO 0.94 0.08 0.00 0.54 -0.21 0.00 0.00 178.00 179.35 1l9a n ARG 55 N -4.34 0.15 -3.07 1.05 1.74 -1.26 -3.15 116.66 107.79 1l9a n ARG 55 Ca 0.24 0.32 -0.19 0.00 -0.77 0.00 0.00 57.85 57.45 1l9a n ARG 55 Cb 1.07 -1.76 -0.02 0.00 -1.02 0.00 0.00 32.46 30.73 1l9a n ARG 55 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1l9a n GLN 56 N -2.04 1.47 -0.34 5.56 3.00 0.35 -4.97 117.38 120.42 1l9a n GLN 56 Ca 0.03 -3.67 0.13 0.00 -0.01 0.00 0.00 57.00 53.49 1l9a n GLN 56 Cb 0.26 -1.77 0.32 0.00 0.00 0.00 0.00 30.24 29.05 1l9a n GLN 56 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.06 178.18 1l9a h HIS 57 N 2.98 0.97 -0.34 1.08 2.07 -1.39 -1.29 115.15 119.24 1l9a h HIS 57 Ca 0.09 0.04 0.10 0.00 -2.85 0.00 0.00 60.37 57.74 1l9a h HIS 57 Cb 0.90 -0.28 -0.01 0.00 2.57 0.00 0.00 27.41 30.59 1l9a h HIS 57 CO 0.54 0.15 0.25 0.11 -3.07 0.00 0.00 177.93 175.92 1l9a h TRP 58 N 0.66 0.00 -3.72 6.12 0.09 -1.91 -3.41 115.95 113.77 1l9a h TRP 58 Ca 0.58 0.00 -0.67 0.00 0.09 0.00 0.00 58.89 58.88 1l9a h TRP 58 Cb 0.96 0.00 -0.19 0.00 0.08 0.00 0.00 29.16 30.01 1l9a h TRP 58 CO -0.03 0.00 -0.47 -2.00 0.09 0.00 0.00 178.44 176.03 1l9a s GLU 59 N -4.98 3.54 -1.25 0.12 2.12 -0.49 -5.02 118.70 112.74 1l9a s GLU 59 Ca -0.05 -0.60 -0.12 0.00 0.36 0.00 0.00 54.97 54.56 1l9a s GLU 59 Cb 0.18 -3.80 0.16 0.00 0.26 0.00 0.00 34.13 30.94 1l9a s GLU 59 CO 0.69 -0.43 1.64 -0.89 -0.54 0.00 0.00 175.26 175.73 1l9a n ILE 60 N 5.11 4.27 -3.70 -3.70 5.41 -1.26 -4.55 119.36 120.93 1l9a n ILE 60 Ca -0.12 -4.55 -0.38 0.00 1.00 0.00 0.00 62.75 58.70 1l9a n ILE 60 Cb 0.50 -2.42 -0.11 0.00 -0.71 0.00 0.00 39.64 36.90 1l9a n ILE 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1l9a s ALA 61 N 1.19 3.18 0.00 -1.39 0.00 -1.26 -4.92 121.76 118.56 1l9a s ALA 61 Ca 0.42 -2.23 0.00 0.00 0.00 0.00 0.00 51.96 50.15 1l9a s ALA 61 Cb 0.03 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 20.68 1l9a s ALA 61 CO 0.00 -1.65 0.00 0.41 0.00 0.00 0.00 175.76 174.53 1l9a n GLY 62 N 4.77 0.00 0.00 0.00 0.00 -1.05 -4.66 105.19 104.25 1l9a n GLY 62 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1l9a n GLY 62 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1l9a n ARG 63 N 0.00 0.00 -3.37 1.61 1.85 -1.12 -4.61 116.66 111.01 1l9a n ARG 63 Ca 0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 57.85 56.66 1l9a n ARG 63 Cb 0.00 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1l9a n ARG 63 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 1l9a s VAL 64 N -0.66 3.96 -0.04 8.89 -7.23 -1.06 -1.25 120.40 123.01 1l9a s VAL 64 Ca 0.00 -0.94 -0.02 0.00 -1.81 0.00 0.00 61.98 59.20 1l9a s VAL 64 Cb 0.00 -3.38 0.02 0.00 0.56 0.00 0.00 36.38 33.58 1l9a s VAL 64 CO 0.00 -0.16 0.09 -1.61 -0.31 0.00 0.00 175.10 173.11 1l9a s GLU 65 N -4.23 0.07 0.08 4.82 2.02 -0.66 -1.96 118.70 118.84 1l9a s GLU 65 Ca 0.46 0.17 0.02 0.00 0.02 0.00 0.00 54.97 55.65 1l9a s GLU 65 Cb -0.10 -0.04 -0.03 0.00 0.10 0.00 0.00 34.13 34.06 1l9a s GLU 65 CO 0.32 -0.06 -0.08 0.14 0.02 0.00 0.00 175.26 175.60 1l9a s VAL 66 N 0.41 0.67 -0.06 2.63 -7.23 -0.66 -1.55 120.40 114.61 1l9a s VAL 66 Ca -0.03 -1.56 0.27 0.00 -1.81 0.00 0.00 61.98 58.85 1l9a s VAL 66 Cb -0.04 -1.22 0.32 0.00 0.56 0.00 0.00 36.38 36.00 1l9a s VAL 66 CO -0.02 -0.63 1.81 -0.78 -0.31 0.00 0.00 175.10 175.17 1l9a h ASP 67 N 3.65 0.00 -0.57 4.85 3.58 -1.87 0.24 116.42 126.30 1l9a h ASP 67 Ca -0.36 0.00 -0.42 0.00 0.42 0.00 0.00 57.03 56.68 1l9a h ASP 67 Cb 1.18 0.00 0.05 0.00 1.72 0.00 0.00 39.33 42.28 1l9a h ASP 67 CO 0.54 0.08 -0.13 0.00 -2.88 0.00 0.00 179.24 176.85 1l9a n TYR 68 N -3.17 0.05 -3.67 0.28 9.36 -1.26 -4.66 117.16 114.09 1l9a n TYR 68 Ca 0.02 0.58 -0.29 0.00 3.32 0.00 0.00 57.90 61.52 1l9a n TYR 68 Cb 0.43 -1.15 -0.13 0.00 -0.63 0.00 0.00 39.34 37.86 1l9a n TYR 68 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 1l9a s LYS 69 N -0.28 1.21 0.00 2.98 2.47 -1.26 -4.51 119.74 120.35 1l9a s LYS 69 Ca 0.44 -1.95 0.00 0.00 -1.56 0.00 0.00 55.97 52.90 1l9a s LYS 69 Cb -0.63 -2.20 0.00 0.00 -1.46 0.00 0.00 37.83 33.54 1l9a s LYS 69 CO 0.32 -1.18 0.00 0.41 0.16 0.00 0.00 175.35 175.06 1l9a n GLY 70 N 3.55 4.68 3.63 5.54 0.00 -1.26 -5.09 105.19 116.24 1l9a n GLY 70 Ca 0.10 -0.77 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 1l9a n GLY 70 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1l9a s ASN 71 N 1.42 6.74 0.23 1.61 3.04 -1.26 -4.90 114.94 121.82 1l9a s ASN 71 Ca 0.00 1.10 -0.07 0.00 0.04 0.00 0.00 52.86 53.93 1l9a s ASN 71 Cb 0.00 -2.54 0.39 0.00 -1.54 0.00 0.00 41.25 37.56 1l9a s ASN 71 CO 0.00 -1.04 1.71 0.50 -3.04 0.00 0.00 177.10 175.23 1l9a h LYS 72 N 8.96 0.32 -0.11 0.43 3.64 -1.98 0.47 116.57 128.30 1l9a h LYS 72 Ca -0.24 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1l9a h LYS 72 Cb 1.08 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 1l9a h LYS 72 CO 1.04 0.21 0.07 1.25 -2.27 0.00 0.00 179.45 179.75 1l9a h LEU 73 N 0.33 0.12 -0.21 5.20 5.85 -1.97 -0.44 115.31 124.19 1l9a h LEU 73 Ca 0.37 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 59.14 1l9a h LEU 73 Cb 0.57 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 1l9a h LEU 73 CO -0.42 0.09 -0.14 0.00 -0.34 0.00 0.00 178.44 177.63 1l9a h LEU 75 N -0.13 -0.21 -0.47 0.00 5.85 -0.64 -0.61 115.31 119.09 1l9a h LEU 75 Ca 0.12 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 1l9a h LEU 75 Cb 0.31 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1l9a h LEU 75 CO -0.29 -0.07 0.29 -0.07 -0.34 0.00 0.00 178.44 177.96 1l9a h LEU 76 N 0.08 0.55 -1.35 2.25 3.38 0.04 -1.26 115.31 119.01 1l9a h LEU 76 Ca 0.20 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.14 1l9a h LEU 76 Cb 0.28 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1l9a h LEU 76 CO -0.35 0.43 0.45 0.11 0.09 0.00 0.00 178.44 179.17 1l9a h LYS 77 N 0.62 0.86 -0.12 1.13 1.57 -0.33 -1.71 116.57 118.59 1l9a h LYS 77 Ca 0.17 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.72 1l9a h LYS 77 Cb -0.03 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.09 1l9a h LYS 77 CO -0.03 0.57 -0.66 1.49 -0.57 0.00 0.00 179.45 180.25 1l9a h GLU 78 N 0.88 0.47 0.00 3.15 4.57 -0.37 -1.99 114.58 121.28 1l9a h GLU 78 Ca 0.25 -0.34 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1l9a h GLU 78 Cb -0.05 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 1l9a h GLU 78 CO -0.06 0.97 0.00 0.97 -1.18 0.00 0.00 179.01 179.70 1l9a h ILE 79 N 0.34 0.00 0.01 2.32 2.10 -0.96 -2.45 117.51 118.86 1l9a h ILE 79 Ca -0.02 -0.88 -0.27 0.00 1.08 0.00 0.00 64.86 64.78 1l9a h ILE 79 Cb 1.22 1.88 0.02 0.00 -1.09 0.00 0.00 36.82 38.84 1l9a h ILE 79 CO 0.12 0.00 -1.06 0.00 -1.08 0.00 0.00 178.15 176.13 1l9a h ALA 80 N 2.01 0.12 -0.27 0.18 0.00 -1.08 -3.13 119.26 117.08 1l9a h ALA 80 Ca 0.00 -0.70 -0.12 0.00 0.00 0.00 0.00 54.91 54.09 1l9a h ALA 80 Cb 0.88 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1l9a h ALA 80 CO 0.00 0.69 -0.33 0.87 0.00 0.00 0.00 179.25 180.48 1l9a h LYS 81 N 0.39 0.59 -0.23 0.00 1.57 -1.19 -3.13 116.57 114.57 1l9a h LYS 81 Ca -0.13 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.37 1l9a h LYS 81 Cb 1.71 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 34.00 1l9a h LYS 81 CO 0.21 0.84 0.11 0.82 -0.57 0.00 0.00 179.45 180.87 1l9a h ILE 82 N 0.50 1.14 -0.20 1.86 2.04 -1.53 -3.15 117.51 118.17 1l9a h ILE 82 Ca 0.06 -0.39 0.06 0.00 1.00 0.00 0.00 64.86 65.59 1l9a h ILE 82 Cb 0.82 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1l9a h ILE 82 CO 0.07 0.13 0.25 0.40 0.00 0.00 0.00 178.15 179.00 1l9a h ILE 83 N 0.24 0.40 -3.07 -0.67 2.04 -1.48 -3.31 117.51 111.65 1l9a h ILE 83 Ca 0.08 0.00 -0.61 0.00 1.00 0.00 0.00 64.86 65.33 1l9a h ILE 83 Cb 0.11 0.79 -0.40 0.00 -0.74 0.00 0.00 36.82 36.59 1l9a h ILE 83 CO -0.01 0.00 -0.74 -0.54 0.00 0.00 0.00 178.15 176.86 1l9a s LYS 84 N -4.57 1.12 -0.06 2.37 3.01 -1.19 -4.88 119.74 115.54 1l9a s LYS 84 Ca -0.04 -1.71 0.13 0.00 -1.01 0.00 0.00 55.97 53.33 1l9a s LYS 84 Cb 0.15 -2.27 0.24 0.00 -1.01 0.00 0.00 37.83 34.93 1l9a s LYS 84 CO 0.52 -1.10 1.11 0.41 0.51 0.00 0.00 175.35 176.80 1l9a n GLY 85 N 3.98 2.15 0.00 -3.33 0.00 -1.25 -4.94 105.19 101.80 1l9a n GLY 85 Ca 0.05 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1l9a n GLY 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1l9a n LYS 86 N -0.29 0.00 0.00 1.61 0.00 -1.26 -5.20 118.16 113.02 1l9a n LYS 86 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.39 1l9a n LYS 86 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.85 1l9a n LYS 86 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49