#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lss n TYR 2 N 0.00 -0.01 -4.96 2.03 0.18 -1.06 -4.84 117.16 108.50 1lss n TYR 2 Ca 0.00 0.00 -0.27 0.00 1.88 0.00 0.00 57.90 59.51 1lss n TYR 2 Cb 0.00 0.00 -0.16 0.00 -0.38 0.00 0.00 39.34 38.80 1lss n TYR 2 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 1lss s ILE 3 N -1.98 1.58 -0.13 -3.48 1.01 -0.81 -0.79 121.20 116.60 1lss s ILE 3 Ca 0.00 -0.82 -0.02 0.00 0.00 0.00 0.00 60.65 59.80 1lss s ILE 3 Cb 0.00 -1.34 -0.03 0.00 0.01 0.00 0.00 42.46 41.10 1lss s ILE 3 CO 0.00 0.45 -0.04 -0.63 0.00 0.00 0.00 174.94 174.72 1lss s ILE 4 N -0.20 3.86 -0.15 2.92 1.01 -0.27 -1.34 121.20 127.03 1lss s ILE 4 Ca 0.01 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.29 1lss s ILE 4 Cb -0.10 -2.65 0.02 0.00 0.01 0.00 0.00 42.46 39.73 1lss s ILE 4 CO 0.01 0.53 -0.19 -0.63 0.00 0.00 0.00 174.94 174.67 1lss s ILE 5 N -0.06 1.88 -0.18 2.92 1.01 -0.09 -0.79 121.20 125.89 1lss s ILE 5 Ca 0.01 -0.85 -0.04 0.00 0.00 0.00 0.00 60.65 59.77 1lss s ILE 5 Cb -0.13 -1.70 -0.02 0.00 0.01 0.00 0.00 42.46 40.62 1lss s ILE 5 CO 0.03 0.51 -0.02 0.00 0.00 0.00 0.00 174.94 175.46 1lss s ALA 6 N 1.13 3.00 0.00 9.38 0.00 0.50 -0.37 121.76 135.40 1lss s ALA 6 Ca -0.01 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.01 1lss s ALA 6 Cb -0.14 -1.68 0.00 0.00 0.00 0.00 0.00 23.12 21.30 1lss s ALA 6 CO -0.07 -0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.07 1lss n GLY 7 N 4.02 0.09 2.67 0.00 0.00 -0.22 0.15 105.19 111.89 1lss n GLY 7 Ca -0.17 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 1lss n GLY 7 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1lss n ILE 8 N -0.01 5.13 -2.22 -0.61 5.41 -1.26 -3.23 119.36 122.57 1lss n ILE 8 Ca 0.00 -4.77 0.00 0.00 1.00 0.00 0.00 62.75 58.98 1lss n ILE 8 Cb 0.00 -2.08 0.00 0.00 -0.71 0.00 0.00 39.64 36.85 1lss n ILE 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1lss n GLY 9 N 1.72 4.52 0.42 7.39 0.00 -1.26 -4.32 105.19 113.66 1lss n GLY 9 Ca 0.50 -1.98 0.24 0.00 0.00 0.00 0.00 46.02 44.77 1lss n GLY 9 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1lss h ARG 10 N 0.00 0.34 0.00 1.61 3.08 -1.93 0.27 114.38 117.74 1lss h ARG 10 Ca 0.00 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 1lss h ARG 10 Cb 0.00 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1lss h ARG 10 CO 0.00 0.22 -0.62 0.28 -1.07 0.00 0.00 179.97 178.79 1lss h VAL 11 N 0.35 0.80 0.26 2.04 2.07 -1.88 -3.35 116.25 116.54 1lss h VAL 11 Ca 0.57 -1.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 1lss h VAL 11 Cb 1.54 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 33.02 1lss h VAL 11 CO -0.25 0.27 -0.13 1.23 0.02 0.00 0.00 177.57 178.72 1lss h GLY 12 N -1.00 -0.36 0.34 2.17 0.00 -1.42 -2.41 103.07 100.39 1lss h GLY 12 Ca -0.14 0.14 0.04 0.00 0.00 0.00 0.00 47.33 47.36 1lss h GLY 12 CO -0.09 -0.13 -0.28 -1.82 0.00 0.00 0.00 176.54 174.22 1lss h TYR 13 N -0.35 -0.75 -0.40 5.60 3.20 -0.67 0.62 116.97 124.22 1lss h TYR 13 Ca -0.03 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.91 1lss h TYR 13 Cb 0.27 0.34 -0.05 0.00 1.54 0.00 0.00 36.73 38.83 1lss h TYR 13 CO -0.06 -0.37 0.13 1.15 -1.64 0.00 0.00 178.16 177.37 1lss h THR 14 N -0.41 0.86 -0.69 1.81 2.02 -1.69 0.14 112.91 114.95 1lss h THR 14 Ca 0.07 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 1lss h THR 14 Cb 0.51 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 1lss h THR 14 CO -0.26 0.05 0.41 0.25 0.37 0.00 0.00 175.52 176.34 1lss h LEU 15 N 0.28 0.83 0.16 2.58 5.85 -1.11 -0.83 115.31 123.08 1lss h LEU 15 Ca 0.19 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1lss h LEU 15 Cb 0.19 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1lss h LEU 15 CO -0.21 0.65 -0.08 0.00 -0.34 0.00 0.00 178.44 178.47 1lss h ALA 16 N 1.21 -0.21 -0.03 1.25 0.00 -0.18 0.66 119.26 121.96 1lss h ALA 16 Ca 0.25 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1lss h ALA 16 Cb -0.02 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1lss h ALA 16 CO -0.05 -0.55 -0.25 -0.22 0.00 0.00 0.00 179.25 178.18 1lss h LYS 17 N -0.34 -0.36 -0.67 0.00 1.63 -0.58 0.34 116.57 116.59 1lss h LYS 17 Ca -0.02 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1lss h LYS 17 Cb 0.27 0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.95 1lss h LYS 17 CO 0.04 -0.24 0.42 1.03 -3.45 0.00 0.00 179.45 177.25 1lss h SER 18 N -0.37 0.78 0.46 4.20 0.87 -1.07 -2.19 113.55 116.23 1lss h SER 18 Ca 0.07 -0.03 -0.24 0.00 -1.23 0.00 0.00 61.79 60.36 1lss h SER 18 Cb 0.47 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1lss h SER 18 CO -0.25 0.58 -1.04 -0.07 -0.53 0.00 0.00 176.83 175.53 1lss h LEU 19 N 0.91 0.47 -0.70 2.23 3.38 -0.32 -2.73 115.31 118.55 1lss h LEU 19 Ca 0.24 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1lss h LEU 19 Cb -0.07 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1lss h LEU 19 CO -0.05 1.25 0.39 -1.28 0.09 0.00 0.00 178.44 178.84 1lss h SER 20 N 0.16 0.87 0.27 -0.43 0.87 0.00 -2.55 113.55 112.75 1lss h SER 20 Ca -0.10 -0.09 -0.15 0.00 -1.23 0.00 0.00 61.79 60.22 1lss h SER 20 Cb 1.71 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 63.43 1lss h SER 20 CO 0.17 0.71 -0.61 -0.33 -0.53 0.00 0.00 176.83 176.25 1lss h GLU 21 N 0.96 0.33 0.00 2.24 5.08 -1.45 -2.95 114.58 118.80 1lss h GLU 21 Ca 0.25 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1lss h GLU 21 Cb 0.03 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1lss h GLU 21 CO -0.04 0.84 0.00 1.63 -1.00 0.00 0.00 179.01 180.44 1lss n LYS 22 N -3.89 0.41 -1.13 2.33 4.76 -1.03 -4.80 118.16 114.81 1lss n LYS 22 Ca -0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 1lss n LYS 22 Cb 0.63 -1.40 0.00 0.00 -1.84 0.00 0.00 35.03 32.42 1lss n LYS 22 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1lss n GLY 23 N -0.17 0.84 3.91 0.72 0.00 -1.11 -5.08 105.19 104.30 1lss n GLY 23 Ca 0.08 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 1lss n GLY 23 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1lss s HIS 24 N -2.00 3.55 -0.57 1.61 3.76 -0.99 -5.06 115.29 115.59 1lss s HIS 24 Ca 0.00 0.34 -0.24 0.00 -0.15 0.00 0.00 55.06 55.02 1lss s HIS 24 Cb 0.00 -1.82 0.05 0.00 1.11 0.00 0.00 32.58 31.92 1lss s HIS 24 CO 0.00 0.64 0.94 -0.51 -0.85 0.00 0.00 174.74 174.96 1lss s ASP 25 N -2.02 6.30 0.14 1.40 1.01 -1.26 -4.56 116.67 117.67 1lss s ASP 25 Ca 0.28 -0.49 0.10 0.00 0.71 0.00 0.00 52.55 53.16 1lss s ASP 25 Cb -0.13 -2.43 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 1lss s ASP 25 CO 0.20 -1.27 -0.24 0.27 0.21 0.00 0.00 175.17 174.34 1lss s ILE 26 N 3.98 2.12 -0.07 0.77 -4.36 -1.26 -1.93 121.20 120.44 1lss s ILE 26 Ca 0.29 -1.79 0.02 0.00 -0.26 0.00 0.00 60.65 58.91 1lss s ILE 26 Cb -0.13 -1.91 0.01 0.00 1.25 0.00 0.00 42.46 41.67 1lss s ILE 26 CO 0.17 -0.03 -0.14 0.54 0.24 0.00 0.00 174.94 175.73 1lss s VAL 27 N -1.31 1.27 -0.05 8.37 0.11 -0.45 -3.15 120.40 125.19 1lss s VAL 27 Ca 0.14 -0.56 -0.02 0.00 -2.93 0.00 0.00 61.98 58.61 1lss s VAL 27 Cb -0.09 -1.15 -0.04 0.00 -1.53 0.00 0.00 36.38 33.57 1lss s VAL 27 CO 0.07 0.39 0.07 -0.76 -3.33 0.00 0.00 175.10 171.53 1lss s LEU 28 N 0.63 3.91 -0.07 2.54 1.43 0.24 -0.91 118.68 126.44 1lss s LEU 28 Ca -0.15 0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.18 1lss s LEU 28 Cb -0.16 -2.13 0.01 0.00 0.03 0.00 0.00 46.19 43.94 1lss s LEU 28 CO 0.04 0.32 -0.15 -0.63 0.23 0.00 0.00 176.35 176.17 1lss s ILE 29 N -1.09 1.37 -0.16 -0.59 1.01 0.50 -0.86 121.20 121.37 1lss s ILE 29 Ca 0.19 -0.61 -0.13 0.00 0.00 0.00 0.00 60.65 60.09 1lss s ILE 29 Cb -0.12 -1.22 0.05 0.00 0.01 0.00 0.00 42.46 41.17 1lss s ILE 29 CO 0.09 0.41 0.42 -0.62 0.00 0.00 0.00 174.94 175.24 1lss s ASP 30 N 0.59 -0.46 0.09 3.58 2.15 -0.93 -1.05 116.67 120.63 1lss s ASP 30 Ca -0.16 0.87 0.23 0.00 0.43 0.00 0.00 52.55 53.93 1lss s ASP 30 Cb -0.16 0.85 0.93 0.00 -0.30 0.00 0.00 42.92 44.24 1lss s ASP 30 CO 0.05 -0.16 1.73 0.00 -0.17 0.00 0.00 175.17 176.62 1lss n ILE 31 N 3.18 0.54 -3.51 4.11 0.13 -1.13 -1.56 119.36 121.13 1lss n ILE 31 Ca -0.16 0.05 -0.39 0.00 -1.10 0.00 0.00 62.75 61.15 1lss n ILE 31 Cb 0.57 -0.77 -0.10 0.00 -0.84 0.00 0.00 39.64 38.49 1lss n ILE 31 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1lss s ASP 32 N -3.54 6.10 0.19 9.51 -1.08 -1.26 -4.59 116.67 122.00 1lss s ASP 32 Ca 0.10 -0.07 -0.12 0.00 -0.52 0.00 0.00 52.55 51.94 1lss s ASP 32 Cb 0.13 -2.15 0.16 0.00 -1.46 0.00 0.00 42.92 39.60 1lss s ASP 32 CO 0.45 -0.16 1.81 0.07 0.52 0.00 0.00 175.17 177.86 1lss h LYS 33 N 8.37 0.61 0.00 4.34 5.09 -1.98 -1.67 116.57 131.33 1lss h LYS 33 Ca -0.33 -0.04 -0.07 0.00 0.09 0.00 0.00 60.65 60.30 1lss h LYS 33 Cb 1.17 -0.14 -0.01 0.00 0.10 0.00 0.00 32.23 33.35 1lss h LYS 33 CO 0.61 0.40 -0.34 -0.44 -2.09 0.00 0.00 179.45 177.59 1lss h ASP 34 N 0.63 0.00 0.66 7.07 3.32 -1.98 -1.93 116.42 124.19 1lss h ASP 34 Ca 0.24 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.10 1lss h ASP 34 Cb 0.09 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1lss h ASP 34 CO -0.14 0.34 -0.86 0.40 -1.72 0.00 0.00 179.24 177.27 1lss h ILE 35 N 0.00 1.53 -0.26 0.35 2.04 -1.84 -2.79 117.51 116.54 1lss h ILE 35 Ca -0.00 -2.68 -0.14 0.00 1.00 0.00 0.00 64.86 63.04 1lss h ILE 35 Cb 0.62 2.48 -0.01 0.00 -0.74 0.00 0.00 36.82 39.18 1lss h ILE 35 CO 0.04 0.78 -0.40 0.00 0.00 0.00 0.00 178.15 178.57 1lss h LYS 37 N 0.51 -0.52 0.30 0.00 1.57 -1.29 0.12 116.57 117.26 1lss h LYS 37 Ca 0.04 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1lss h LYS 37 Cb 0.92 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.31 1lss h LYS 37 CO 0.08 -0.32 -0.42 -0.22 -0.57 0.00 0.00 179.45 178.01 1lss h LYS 38 N -0.59 -0.75 -0.44 3.15 3.64 -1.46 -1.81 116.57 118.31 1lss h LYS 38 Ca -0.06 0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.45 1lss h LYS 38 Cb 0.44 0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 32.37 1lss h LYS 38 CO 0.09 -0.50 0.08 0.00 -2.27 0.00 0.00 179.45 176.86 1lss h ALA 39 N -0.39 0.48 -0.07 5.00 0.00 -1.32 0.30 119.26 123.25 1lss h ALA 39 Ca -0.02 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1lss h ALA 39 Cb 0.73 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1lss h ALA 39 CO -0.13 -0.32 -0.02 0.66 0.00 0.00 0.00 179.25 179.44 1lss h SER 40 N 0.22 0.09 0.67 0.00 4.64 -0.80 0.90 113.55 119.27 1lss h SER 40 Ca 0.22 -0.01 -0.27 0.00 -0.47 0.00 0.00 61.79 61.26 1lss h SER 40 Cb 0.27 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 1lss h SER 40 CO -0.29 0.13 -1.28 0.00 -0.87 0.00 0.00 176.83 174.53 1lss h ALA 41 N 1.88 0.23 0.00 5.18 0.00 -0.47 -3.35 119.26 122.73 1lss h ALA 41 Ca 0.03 -0.98 0.00 0.00 0.00 0.00 0.00 54.91 53.96 1lss h ALA 41 Cb 0.11 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1lss h ALA 41 CO 0.00 1.11 -1.26 0.39 0.00 0.00 0.00 179.25 179.49 1lss n GLU 42 N -3.45 0.58 -4.87 0.00 1.02 0.01 -4.95 120.64 108.98 1lss n GLU 42 Ca -0.09 0.02 -0.25 0.00 -0.02 0.00 0.00 57.16 56.82 1lss n GLU 42 Cb 1.01 -1.72 -0.15 0.00 -0.02 0.00 0.00 31.44 30.56 1lss n GLU 42 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1lss s ILE 43 N -3.38 1.46 -0.89 -3.67 1.01 0.31 -5.06 121.20 110.98 1lss s ILE 43 Ca -0.02 -0.81 -0.22 0.00 0.00 0.00 0.00 60.65 59.61 1lss s ILE 43 Cb 0.11 -1.22 0.09 0.00 0.01 0.00 0.00 42.46 41.45 1lss s ILE 43 CO 0.82 0.40 1.21 -0.62 0.00 0.00 0.00 174.94 176.75 1lss s ASP 44 N -0.47 6.46 -0.11 3.58 2.15 -1.26 -4.59 116.67 122.42 1lss s ASP 44 Ca 0.07 -1.52 -0.33 0.00 0.43 0.00 0.00 52.55 51.21 1lss s ASP 44 Cb -0.07 -2.47 0.13 0.00 -0.30 0.00 0.00 42.92 40.20 1lss s ASP 44 CO -0.01 -1.34 1.17 0.00 -0.17 0.00 0.00 175.17 174.82 1lss s ALA 45 N 3.93 -2.05 0.14 3.66 0.00 -1.26 -4.76 121.76 121.42 1lss s ALA 45 Ca 0.35 1.25 -0.22 0.00 0.00 0.00 0.00 51.96 53.33 1lss s ALA 45 Cb -0.06 0.10 -0.08 0.00 0.00 0.00 0.00 23.12 23.09 1lss s ALA 45 CO -0.04 -0.73 0.69 -1.17 0.00 0.00 0.00 175.76 174.52 1lss s LEU 46 N -2.43 4.54 -0.06 0.00 1.98 -1.19 -4.90 118.68 116.62 1lss s LEU 46 Ca 0.10 1.47 0.05 0.00 -2.89 0.00 0.00 54.13 52.86 1lss s LEU 46 Cb 0.00 -3.18 -0.02 0.00 0.66 0.00 0.00 46.19 43.66 1lss s LEU 46 CO -0.05 0.22 -0.21 -0.69 -1.89 0.00 0.00 176.35 173.73 1lss s VAL 47 N -1.18 2.46 -0.12 1.68 1.01 -1.26 -0.59 120.40 122.39 1lss s VAL 47 Ca 0.34 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.43 1lss s VAL 47 Cb -0.21 -1.93 0.01 0.00 0.00 0.00 0.00 36.38 34.24 1lss s VAL 47 CO 0.23 0.57 -0.22 -0.63 0.00 0.00 0.00 175.10 175.05 1lss s ILE 48 N -0.26 1.98 -0.35 2.22 1.09 -0.04 -4.98 121.20 120.86 1lss s ILE 48 Ca 0.00 -0.95 -0.18 0.00 -1.10 0.00 0.00 60.65 58.42 1lss s ILE 48 Cb -0.13 -1.75 -0.00 0.00 -1.06 0.00 0.00 42.46 39.52 1lss s ILE 48 CO 0.03 0.54 0.53 0.21 -0.10 0.00 0.00 174.94 176.14 1lss s ASN 49 N 0.70 6.33 0.00 3.58 3.04 -1.26 -2.19 114.94 125.14 1lss s ASN 49 Ca -0.10 -0.01 0.00 0.00 0.04 0.00 0.00 52.86 52.78 1lss s ASN 49 Cb -0.16 -2.27 0.00 0.00 -1.54 0.00 0.00 41.25 37.27 1lss s ASN 49 CO 0.01 -0.50 0.00 0.61 -3.04 0.00 0.00 177.10 174.19 1lss n GLY 50 N 4.78 0.13 3.63 1.21 0.00 -0.60 -4.97 105.19 109.36 1lss n GLY 50 Ca -0.04 -1.14 -0.43 0.00 0.00 0.00 0.00 46.02 44.41 1lss n GLY 50 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1lss s ASP 51 N 0.00 6.82 0.00 1.61 -1.08 -1.26 -2.83 116.67 119.94 1lss s ASP 51 Ca 0.00 0.88 0.15 0.00 -0.52 0.00 0.00 52.55 53.06 1lss s ASP 51 Cb 0.00 -2.50 0.89 0.00 -1.46 0.00 0.00 42.92 39.85 1lss s ASP 51 CO 0.00 -0.81 1.31 0.00 0.52 0.00 0.00 175.17 176.19 1lss n THR 53 N -0.98 0.27 -2.95 0.00 -2.24 -1.26 -4.65 114.28 102.46 1lss n THR 53 Ca 0.11 -0.28 -0.40 0.00 -2.27 0.00 0.00 64.05 61.21 1lss n THR 53 Cb 0.05 0.04 -0.05 0.00 -2.10 0.00 0.00 70.33 68.27 1lss n THR 53 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1lss s LYS 54 N -3.21 4.55 0.18 -0.78 -0.14 -0.67 -4.92 119.74 114.75 1lss s LYS 54 Ca 0.04 1.14 -0.13 0.00 -1.36 0.00 0.00 55.97 55.66 1lss s LYS 54 Cb 0.14 -3.33 0.11 0.00 -1.68 0.00 0.00 37.83 33.07 1lss s LYS 54 CO 0.78 0.37 1.81 0.82 -0.76 0.00 0.00 175.35 178.36 1lss h ILE 55 N 3.85 1.02 -0.68 2.17 1.08 -1.89 -2.54 117.51 120.52 1lss h ILE 55 Ca -0.45 -0.20 0.01 0.00 -0.39 0.00 0.00 64.86 63.83 1lss h ILE 55 Cb 1.21 0.39 -0.03 0.00 -3.07 0.00 0.00 36.82 35.31 1lss h ILE 55 CO 0.69 0.11 0.45 0.07 -0.69 0.00 0.00 178.15 178.78 1lss h LYS 56 N 0.58 0.87 -0.36 2.37 -0.00 -1.93 0.67 116.57 118.77 1lss h LYS 56 Ca 0.21 -0.05 -0.04 0.00 -0.00 0.00 0.00 60.65 60.77 1lss h LYS 56 Cb 0.06 -0.20 -0.01 0.00 -0.00 0.00 0.00 32.23 32.08 1lss h LYS 56 CO -0.11 0.58 0.07 1.15 -0.00 0.00 0.00 179.45 181.14 1lss h THR 57 N 0.90 1.23 -0.58 0.07 2.02 -1.71 -0.05 112.91 114.79 1lss h THR 57 Ca 0.25 -0.80 -0.07 0.00 0.77 0.00 0.00 66.41 66.56 1lss h THR 57 Cb -0.08 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 1lss h THR 57 CO -0.06 0.27 0.08 -0.07 0.37 0.00 0.00 175.52 176.11 1lss h LEU 58 N 0.43 0.89 -0.44 2.58 3.38 -1.02 -1.36 115.31 119.78 1lss h LEU 58 Ca 0.11 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1lss h LEU 58 Cb 0.33 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1lss h LEU 58 CO 0.00 0.91 0.15 -0.33 0.09 0.00 0.00 178.44 179.26 1lss h GLU 59 N 0.88 0.67 0.00 1.13 5.08 -0.61 -0.88 114.58 120.86 1lss h GLU 59 Ca 0.18 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1lss h GLU 59 Cb 0.41 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1lss h GLU 59 CO 0.01 0.65 -0.05 -0.44 -1.00 0.00 0.00 179.01 178.18 1lss h ASP 60 N 0.57 0.00 0.28 1.42 3.32 -0.61 -0.11 116.42 121.30 1lss h ASP 60 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1lss h ASP 60 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1lss h ASP 60 CO -0.01 0.05 -0.13 0.00 -1.72 0.00 0.00 179.24 177.43 1lss n ALA 61 N -2.26 2.82 -2.18 3.45 0.00 -0.55 -4.91 120.51 116.88 1lss n ALA 61 Ca -0.02 -0.31 -0.04 0.00 0.00 0.00 0.00 53.44 53.06 1lss n ALA 61 Cb 0.15 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1lss n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lss n GLY 62 N 1.27 0.27 0.52 0.00 0.00 -0.05 -4.92 105.19 102.29 1lss n GLY 62 Ca 0.15 -0.68 0.38 0.00 0.00 0.00 0.00 46.02 45.87 1lss n GLY 62 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1lss h ILE 63 N -0.08 0.19 0.00 -0.61 6.09 -1.37 0.18 117.51 121.90 1lss h ILE 63 Ca -0.10 -0.03 -0.05 0.00 -1.37 0.00 0.00 64.86 63.31 1lss h ILE 63 Cb 1.07 0.10 -0.01 0.00 0.47 0.00 0.00 36.82 38.45 1lss h ILE 63 CO 0.12 0.02 -0.24 1.05 -3.07 0.00 0.00 178.15 176.02 1lss h GLU 64 N 0.09 0.00 -0.42 2.19 9.09 -1.86 -3.06 114.58 120.60 1lss h GLU 64 Ca 0.78 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 60.15 1lss h GLU 64 Cb 2.65 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 29.73 1lss h GLU 64 CO -0.25 0.24 0.03 -0.25 0.05 0.00 0.00 179.01 178.83 1lss n ASP 65 N -3.83 4.49 -4.77 3.06 8.00 0.62 -4.92 116.55 119.20 1lss n ASP 65 Ca -0.02 -3.07 -0.33 0.00 0.71 0.00 0.00 54.79 52.09 1lss n ASP 65 Cb 0.34 -0.62 -0.07 0.00 -0.02 0.00 0.00 41.12 40.75 1lss n ASP 65 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1lss s ALA 66 N -2.86 3.55 -1.34 2.24 0.00 -1.16 0.20 121.76 122.38 1lss s ALA 66 Ca 0.48 -0.90 0.14 0.00 0.00 0.00 0.00 51.96 51.68 1lss s ALA 66 Cb 0.38 -1.53 0.31 0.00 0.00 0.00 0.00 23.12 22.27 1lss s ALA 66 CO 0.11 0.69 1.21 -0.40 0.00 0.00 0.00 175.76 177.38 1lss n ASP 67 N 1.12 2.88 -3.65 0.00 5.75 0.03 -4.40 116.55 118.28 1lss n ASP 67 Ca -0.13 -1.88 -0.09 0.00 -0.01 0.00 0.00 54.79 52.68 1lss n ASP 67 Cb 0.53 -0.21 -0.08 0.00 -1.03 0.00 0.00 41.12 40.33 1lss n ASP 67 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 1lss s MET 68 N -1.05 0.68 -0.15 0.11 0.00 -1.18 -3.13 119.30 114.58 1lss s MET 68 Ca 0.26 1.11 -0.00 0.00 0.00 0.00 0.00 55.69 57.05 1lss s MET 68 Cb 0.14 0.17 0.04 0.00 0.00 0.00 0.00 34.83 35.18 1lss s MET 68 CO 0.19 -0.14 -0.06 -0.47 0.00 0.00 0.00 175.02 174.54 1lss s TYR 69 N 1.33 1.64 -0.26 4.11 5.04 -0.54 -1.11 117.35 127.55 1lss s TYR 69 Ca -0.08 -0.99 -0.02 0.00 -2.44 0.00 0.00 57.07 53.55 1lss s TYR 69 Cb -0.05 -1.29 0.03 0.00 0.35 0.00 0.00 41.96 40.99 1lss s TYR 69 CO -0.14 -0.59 -0.03 0.42 -1.34 0.00 0.00 175.55 173.86 1lss s ILE 70 N 1.66 3.01 -0.43 3.14 1.01 0.03 -0.62 121.20 128.99 1lss s ILE 70 Ca 0.02 -1.07 -0.10 0.00 0.00 0.00 0.00 60.65 59.50 1lss s ILE 70 Cb -0.14 -2.57 0.08 0.00 0.01 0.00 0.00 42.46 39.83 1lss s ILE 70 CO -0.08 0.12 0.28 0.00 0.00 0.00 0.00 174.94 175.26 1lss s ALA 71 N 1.33 3.33 -0.36 9.38 0.00 0.81 -0.37 121.76 135.88 1lss s ALA 71 Ca -0.01 -2.14 0.06 0.00 0.00 0.00 0.00 51.96 49.87 1lss s ALA 71 Cb -0.17 -2.71 0.44 0.00 0.00 0.00 0.00 23.12 20.68 1lss s ALA 71 CO -0.03 -1.66 1.16 1.33 0.00 0.00 0.00 175.76 176.56 1lss n VAL 72 N 4.96 2.47 -1.55 0.00 0.24 0.12 -1.97 118.33 122.61 1lss n VAL 72 Ca -0.10 -4.51 -0.29 0.00 -2.04 0.00 0.00 64.34 57.40 1lss n VAL 72 Cb 0.43 -1.19 0.12 0.00 -1.47 0.00 0.00 33.84 31.73 1lss n VAL 72 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1lss s THR 73 N -4.99 2.37 -2.06 3.34 2.01 -1.20 -4.51 115.64 110.61 1lss s THR 73 Ca 0.50 0.12 0.11 0.00 0.31 0.00 0.00 61.69 62.73 1lss s THR 73 Cb 0.41 -2.87 0.29 0.00 0.01 0.00 0.00 72.50 70.34 1lss s THR 73 CO -0.06 -0.16 1.31 0.61 -0.69 0.00 0.00 174.62 175.64 1lss n GLY 74 N -2.19 -0.04 2.92 4.40 0.00 -1.26 -4.66 105.19 104.36 1lss n GLY 74 Ca 0.07 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 1lss n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lss s LYS 75 N -1.76 1.37 0.65 1.61 1.02 -1.26 -4.98 119.74 116.38 1lss s LYS 75 Ca 0.20 -1.28 0.31 0.00 0.02 0.00 0.00 55.97 55.22 1lss s LYS 75 Cb 0.10 -2.63 1.70 0.00 -0.52 0.00 0.00 37.83 36.48 1lss s LYS 75 CO 0.15 -0.80 1.98 1.05 -0.92 0.00 0.00 175.35 176.82 1lss h GLU 76 N 7.88 0.00 0.00 1.68 4.11 -1.83 0.61 114.58 127.03 1lss h GLU 76 Ca -0.13 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.13 1lss h GLU 76 Cb 1.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 1lss h GLU 76 CO 0.46 0.00 -0.82 1.05 0.07 0.00 0.00 179.01 179.77 1lss h GLU 77 N 0.00 0.00 -0.10 1.06 9.09 -1.94 -0.11 114.58 122.59 1lss h GLU 77 Ca 0.04 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.37 1lss h GLU 77 Cb 0.65 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.76 1lss h GLU 77 CO -0.00 0.82 -0.28 0.28 0.05 0.00 0.00 179.01 179.88 1lss h VAL 78 N 0.00 1.40 -0.20 -1.06 2.07 -1.32 -0.92 116.25 116.22 1lss h VAL 78 Ca -0.01 -1.62 -0.01 0.00 0.82 0.00 0.00 66.70 65.89 1lss h VAL 78 Cb 1.60 2.19 -0.01 0.00 -1.52 0.00 0.00 31.29 33.55 1lss h VAL 78 CO 0.11 0.47 0.10 0.78 0.02 0.00 0.00 177.57 179.05 1lss h ASN 79 N -0.10 0.26 0.50 0.57 -0.26 -1.39 0.77 115.58 115.93 1lss h ASN 79 Ca -0.01 -0.11 -0.01 0.00 -0.56 0.00 0.00 56.30 55.61 1lss h ASN 79 Cb 0.90 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 38.08 1lss h ASN 79 CO 0.06 0.29 -0.39 0.25 -1.06 0.00 0.00 177.43 176.58 1lss h LEU 80 N 0.21 -1.02 -0.48 1.61 7.12 -1.03 0.44 115.31 122.16 1lss h LEU 80 Ca 0.07 0.07 0.03 0.00 0.13 0.00 0.00 57.88 58.18 1lss h LEU 80 Cb 0.10 0.32 -0.03 0.00 -0.53 0.00 0.00 40.66 40.51 1lss h LEU 80 CO -0.01 -0.57 0.28 -0.03 -0.13 0.00 0.00 178.44 177.98 1lss h MET 81 N -0.87 0.54 -0.06 1.25 4.05 -1.12 -1.95 114.93 116.76 1lss h MET 81 Ca -0.05 -0.03 0.04 0.00 -0.28 0.00 0.00 59.70 59.37 1lss h MET 81 Cb 0.74 -0.12 -0.05 0.00 -0.80 0.00 0.00 31.60 31.37 1lss h MET 81 CO 0.00 0.36 -0.25 0.77 0.23 0.00 0.00 176.91 178.02 1lss h SER 82 N 0.55 -0.74 -0.37 1.39 0.02 -0.67 -1.25 113.55 112.48 1lss h SER 82 Ca 0.20 0.11 0.01 0.00 -0.84 0.00 0.00 61.79 61.27 1lss h SER 82 Cb 0.04 0.32 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 1lss h SER 82 CO -0.10 -0.30 0.22 0.28 -1.14 0.00 0.00 176.83 175.79 1lss h SER 83 N -0.35 0.36 -0.32 3.07 0.02 -0.68 -0.66 113.55 115.00 1lss h SER 83 Ca 0.08 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 1lss h SER 83 Cb 0.46 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 1lss h SER 83 CO -0.26 0.26 0.04 -0.07 -1.14 0.00 0.00 176.83 175.66 1lss h LEU 84 N 0.45 0.59 -0.51 5.07 3.38 -1.17 -0.23 115.31 122.89 1lss h LEU 84 Ca 0.14 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 1lss h LEU 84 Cb -0.01 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1lss h LEU 84 CO -0.06 0.63 -0.14 -0.07 0.09 0.00 0.00 178.44 178.89 1lss h LEU 85 N 0.61 1.01 -0.51 1.67 3.38 -0.79 -2.38 115.31 118.31 1lss h LEU 85 Ca 0.13 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 1lss h LEU 85 Cb 0.32 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1lss h LEU 85 CO 0.01 1.15 0.13 0.00 0.09 0.00 0.00 178.44 179.82 1lss h ALA 86 N 0.90 0.67 -0.15 1.53 0.00 -0.61 -2.92 119.26 118.67 1lss h ALA 86 Ca 0.13 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1lss h ALA 86 Cb 0.71 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1lss h ALA 86 CO 0.05 0.35 -0.07 -0.22 0.00 0.00 0.00 179.25 179.37 1lss h LYS 87 N 0.70 -0.05 0.00 0.00 3.64 -0.93 -0.42 116.57 119.50 1lss h LYS 87 Ca 0.16 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1lss h LYS 87 Cb 0.32 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1lss h LYS 87 CO 0.00 -0.03 0.00 -1.13 -2.27 0.00 0.00 179.45 176.02 1lss n SER 88 N -5.21 0.00 -1.68 4.20 3.41 -0.91 -1.19 113.62 112.24 1lss n SER 88 Ca -0.03 0.47 0.08 0.00 -0.26 0.00 0.00 58.87 59.13 1lss n SER 88 Cb 0.14 -0.48 0.37 0.00 -0.26 0.00 0.00 64.21 63.98 1lss n SER 88 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1lss n TYR 89 N -1.48 1.70 0.00 7.33 4.02 -0.17 -4.94 117.16 123.62 1lss n TYR 89 Ca 0.01 -0.66 0.00 0.00 -0.01 0.00 0.00 57.90 57.24 1lss n TYR 89 Cb 0.04 -0.35 0.00 0.00 -0.02 0.00 0.00 39.34 39.01 1lss n TYR 89 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1lss n GLY 90 N 0.88 2.98 3.54 2.72 0.00 -0.34 -4.79 105.19 110.19 1lss n GLY 90 Ca 0.26 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.76 1lss n GLY 90 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1lss n ILE 91 N -0.33 0.52 0.09 -0.61 5.41 -1.19 -4.91 119.36 118.34 1lss n ILE 91 Ca 0.00 -0.13 -0.20 0.00 1.00 0.00 0.00 62.75 63.42 1lss n ILE 91 Cb 0.00 -0.52 -0.15 0.00 -0.71 0.00 0.00 39.64 38.26 1lss n ILE 91 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1lss h ASN 92 N 3.35 0.54 -3.36 4.38 7.08 -1.82 -3.42 115.58 122.34 1lss h ASN 92 Ca -0.45 -0.70 -0.65 0.00 -3.08 0.00 0.00 56.30 51.42 1lss h ASN 92 Cb 1.37 -0.18 -0.36 0.00 -2.08 0.00 0.00 38.32 37.08 1lss h ASN 92 CO 0.69 1.58 -0.83 -0.54 -2.08 0.00 0.00 177.43 176.25 1lss s LYS 93 N -2.61 2.47 -0.06 4.14 3.01 -1.18 -4.98 119.74 120.52 1lss s LYS 93 Ca -0.10 -0.93 0.04 0.00 -1.01 0.00 0.00 55.97 53.96 1lss s LYS 93 Cb 0.06 -2.56 -0.02 0.00 -1.01 0.00 0.00 37.83 34.30 1lss s LYS 93 CO 0.88 -0.36 -0.16 0.95 0.51 0.00 0.00 175.35 177.16 1lss s THR 94 N 1.29 2.86 -0.13 2.17 -4.23 -1.26 -1.47 115.64 114.87 1lss s THR 94 Ca -0.00 -0.78 0.00 0.00 -1.18 0.00 0.00 61.69 59.73 1lss s THR 94 Cb -0.16 -2.12 0.02 0.00 1.34 0.00 0.00 72.50 71.59 1lss s THR 94 CO -0.10 0.58 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.80 1lss s ILE 95 N -0.47 1.42 -0.04 2.99 1.01 0.21 -1.48 121.20 124.84 1lss s ILE 95 Ca 0.06 -0.55 0.05 0.00 0.00 0.00 0.00 60.65 60.21 1lss s ILE 95 Cb -0.12 -1.35 -0.01 0.00 0.01 0.00 0.00 42.46 40.99 1lss s ILE 95 CO 0.02 0.43 -0.20 0.00 0.00 0.00 0.00 174.94 175.19 1lss s ALA 96 N 1.45 1.74 0.04 9.38 0.00 0.32 -0.14 121.76 134.55 1lss s ALA 96 Ca 0.03 -0.84 -0.12 0.00 0.00 0.00 0.00 51.96 51.03 1lss s ALA 96 Cb -0.13 -0.52 -0.06 0.00 0.00 0.00 0.00 23.12 22.41 1lss s ALA 96 CO -0.08 0.35 0.40 0.50 0.00 0.00 0.00 175.76 176.93 1lss s ARG 97 N -0.17 3.82 0.25 0.00 3.52 -0.83 -0.28 118.95 125.26 1lss s ARG 97 Ca -0.00 0.27 0.10 0.00 -0.13 0.00 0.00 55.73 55.97 1lss s ARG 97 Cb -0.11 -3.09 -0.05 0.00 -1.56 0.00 0.00 34.95 30.14 1lss s ARG 97 CO 0.02 0.62 -0.18 0.96 -0.81 0.00 0.00 175.30 175.91 1lss s ILE 98 N -1.26 2.17 -0.57 4.11 -4.36 -0.42 -4.52 121.20 116.35 1lss s ILE 98 Ca 0.29 -2.32 0.07 0.00 -0.26 0.00 0.00 60.65 58.44 1lss s ILE 98 Cb -0.15 -2.19 -0.02 0.00 1.25 0.00 0.00 42.46 41.35 1lss s ILE 98 CO 0.16 -0.47 0.46 -1.54 0.24 0.00 0.00 174.94 173.79 1lss n SER 99 N -0.49 0.82 -4.16 4.36 3.41 -1.26 -4.54 113.62 111.75 1lss n SER 99 Ca -0.06 -0.91 -0.37 0.00 -0.26 0.00 0.00 58.87 57.27 1lss n SER 99 Cb 0.60 0.63 -0.11 0.00 -0.26 0.00 0.00 64.21 65.07 1lss n SER 99 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1lss s GLU 100 N -1.29 2.20 0.39 4.33 0.41 -1.26 -4.97 118.70 118.51 1lss s GLU 100 Ca 0.05 -1.69 0.18 0.00 -0.41 0.00 0.00 54.97 53.10 1lss s GLU 100 Cb 0.06 -3.60 1.09 0.00 -1.78 0.00 0.00 34.13 29.89 1lss s GLU 100 CO 0.22 -1.01 1.77 0.82 -0.49 0.00 0.00 175.26 176.56 1lss h ILE 101 N 6.31 0.52 0.00 -1.63 2.04 -2.00 0.22 117.51 122.98 1lss h ILE 101 Ca -0.16 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1lss h ILE 101 Cb 1.06 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1lss h ILE 101 CO 0.70 0.07 0.00 -1.84 0.00 0.00 0.00 178.15 177.09 1lss n GLU 102 N -4.64 0.35 0.00 2.37 0.28 -1.26 -2.47 120.64 115.27 1lss n GLU 102 Ca 0.25 0.03 0.10 0.00 -0.16 0.00 0.00 57.16 57.38 1lss n GLU 102 Cb 0.87 -1.50 -0.11 0.00 1.43 0.00 0.00 31.44 32.13 1lss n GLU 102 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1lss n TYR 103 N -1.04 0.00 -0.12 -1.84 0.53 0.79 -4.60 117.16 110.86 1lss n TYR 103 Ca 0.09 0.00 -0.09 0.00 -1.02 0.00 0.00 57.90 56.87 1lss n TYR 103 Cb 0.05 0.00 -0.04 0.00 -1.03 0.00 0.00 39.34 38.32 1lss n TYR 103 CO 0.00 0.00 0.00 -0.22 -1.02 0.00 0.00 176.86 175.62 1lss h LYS 104 N 0.00 -0.30 0.00 -0.72 3.64 -1.62 0.13 116.57 117.71 1lss h LYS 104 Ca 0.00 0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.30 1lss h LYS 104 Cb 0.48 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1lss h LYS 104 CO 0.00 -0.20 -0.46 -0.44 -2.27 0.00 0.00 179.45 176.09 1lss h ASP 105 N -0.31 0.00 -0.05 4.20 3.32 -1.84 -2.89 116.42 118.85 1lss h ASP 105 Ca 0.15 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1lss h ASP 105 Cb 0.57 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.12 1lss h ASP 105 CO -0.57 0.46 -0.03 0.58 -1.72 0.00 0.00 179.24 177.96 1lss h VAL 106 N 0.00 1.34 -0.63 -1.35 2.07 -1.53 -2.63 116.25 113.52 1lss h VAL 106 Ca -0.00 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.45 1lss h VAL 106 Cb 1.01 1.94 -0.03 0.00 -1.52 0.00 0.00 31.29 32.69 1lss h VAL 106 CO 0.06 0.29 0.37 -0.26 0.02 0.00 0.00 177.57 178.04 1lss h PHE 107 N -0.29 0.83 0.36 1.57 -1.00 -0.81 -2.08 116.94 115.52 1lss h PHE 107 Ca 0.01 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.77 1lss h PHE 107 Cb 0.48 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 39.77 1lss h PHE 107 CO 0.07 0.57 -0.17 0.93 -1.61 0.00 0.00 178.31 178.10 1lss h GLU 108 N 0.87 -0.46 -0.61 1.51 5.08 -1.44 -1.89 114.58 117.65 1lss h GLU 108 Ca 0.23 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.70 1lss h GLU 108 Cb -0.01 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.28 1lss h GLU 108 CO -0.04 -0.26 0.27 0.00 -1.00 0.00 0.00 179.01 177.98 1lss h ARG 109 N -0.55 0.48 0.00 2.33 3.08 -1.26 0.29 114.38 118.75 1lss h ARG 109 Ca -0.05 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1lss h ARG 109 Cb 0.41 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1lss h ARG 109 CO 0.08 0.32 0.03 1.28 -1.07 0.00 0.00 179.97 180.61 1lss n LEU 110 N -4.92 0.33 0.00 3.04 4.77 -0.80 -4.79 117.00 114.64 1lss n LEU 110 Ca 0.08 0.64 0.00 0.00 -0.03 0.00 0.00 56.01 56.70 1lss n LEU 110 Cb 0.23 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 1lss n LEU 110 CO 0.25 -0.75 0.00 0.61 -1.33 0.00 0.00 177.39 176.17 1lss n GLY 111 N -1.36 1.50 3.72 -0.72 0.00 0.09 -5.06 105.19 103.35 1lss n GLY 111 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1lss n GLY 111 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lss s VAL 112 N -1.40 2.87 0.06 1.61 1.01 -0.73 -4.93 120.40 118.89 1lss s VAL 112 Ca 0.00 0.63 -0.27 0.00 0.00 0.00 0.00 61.98 62.35 1lss s VAL 112 Cb 0.00 -3.40 -0.17 0.00 0.00 0.00 0.00 36.38 32.81 1lss s VAL 112 CO 0.00 0.05 1.56 0.44 0.00 0.00 0.00 175.10 177.16 1lss h ASP 113 N 6.69 -0.29 -3.40 3.32 3.32 -1.84 -3.39 116.42 120.82 1lss h ASP 113 Ca -0.43 -0.07 -0.42 0.00 0.02 0.00 0.00 57.03 56.14 1lss h ASP 113 Cb 1.21 0.08 -0.35 0.00 0.22 0.00 0.00 39.33 40.48 1lss h ASP 113 CO 0.89 -0.11 -0.77 -0.69 -1.72 0.00 0.00 179.24 176.83 1lss s VAL 114 N -5.67 0.49 -0.24 -1.35 1.01 -0.55 -5.00 120.40 109.09 1lss s VAL 114 Ca -0.15 -0.06 -0.04 0.00 0.00 0.00 0.00 61.98 61.73 1lss s VAL 114 Cb 0.04 -0.55 -0.00 0.00 0.00 0.00 0.00 36.38 35.87 1lss s VAL 114 CO 0.63 0.23 -0.02 0.68 0.00 0.00 0.00 175.10 176.62 1lss s VAL 115 N 1.20 3.47 -0.24 2.92 -7.23 -1.26 -0.52 120.40 118.74 1lss s VAL 115 Ca -0.07 -0.57 -0.08 0.00 -1.81 0.00 0.00 61.98 59.45 1lss s VAL 115 Cb -0.14 -2.64 -0.04 0.00 0.56 0.00 0.00 36.38 34.12 1lss s VAL 115 CO -0.02 0.33 0.10 -0.69 -0.31 0.00 0.00 175.10 174.52 1lss s VAL 116 N 1.47 4.75 -0.55 1.32 1.01 0.62 -4.96 120.40 124.06 1lss s VAL 116 Ca 0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 61.98 61.96 1lss s VAL 116 Cb -0.15 -3.21 0.14 0.00 0.00 0.00 0.00 36.38 33.16 1lss s VAL 116 CO -0.02 0.35 0.36 -0.55 0.00 0.00 0.00 175.10 175.24 1lss s SER 117 N 1.28 5.29 0.37 3.32 0.15 -1.26 -1.30 113.70 121.55 1lss s SER 117 Ca 0.06 -2.55 0.16 0.00 0.70 0.00 0.00 55.95 54.32 1lss s SER 117 Cb -0.15 -1.86 1.05 0.00 -1.71 0.00 0.00 66.02 63.36 1lss s SER 117 CO 0.05 -0.44 1.74 -0.65 1.20 0.00 0.00 173.24 175.14 1lss h PRO 118 N 7.43 0.42 0.34 5.44 0.11 -1.97 0.32 132.00 144.08 1lss h PRO 118 Ca -0.06 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.01 1lss h PRO 118 Cb 0.99 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1lss h PRO 118 CO 0.72 0.28 -0.16 0.93 -0.21 0.00 0.00 178.00 179.55 1lss h GLU 119 N 0.43 -0.43 -0.91 1.05 3.07 -1.92 0.50 114.58 116.36 1lss h GLU 119 Ca 0.63 0.03 0.01 0.00 -0.50 0.00 0.00 59.36 59.53 1lss h GLU 119 Cb 1.49 0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 29.45 1lss h GLU 119 CO -0.37 -0.18 0.60 1.25 -1.40 0.00 0.00 179.01 178.91 1lss h LEU 120 N -0.63 1.05 -0.28 1.33 7.12 -1.73 -1.55 115.31 120.61 1lss h LEU 120 Ca -0.05 -0.03 -0.02 0.00 0.13 0.00 0.00 57.88 57.91 1lss h LEU 120 Cb 0.45 -0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 40.31 1lss h LEU 120 CO 0.08 0.76 0.09 0.40 -0.13 0.00 0.00 178.44 179.64 1lss h ILE 121 N 1.24 1.20 -0.72 4.05 2.04 -0.89 -2.09 117.51 122.33 1lss h ILE 121 Ca 0.33 -0.64 0.08 0.00 1.00 0.00 0.00 64.86 65.63 1lss h ILE 121 Cb -0.14 1.09 -0.05 0.00 -0.74 0.00 0.00 36.82 36.98 1lss h ILE 121 CO -0.07 0.21 0.48 0.00 0.00 0.00 0.00 178.15 178.77 1lss h ALA 122 N 0.92 1.77 0.27 1.87 0.00 -0.40 -0.92 119.26 122.76 1lss h ALA 122 Ca 0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1lss h ALA 122 Cb 0.24 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1lss h ALA 122 CO -0.00 0.10 -0.13 0.00 0.00 0.00 0.00 179.25 179.22 1lss h ALA 123 N 1.62 -0.36 -0.54 0.00 0.00 -0.92 -1.50 119.26 117.55 1lss h ALA 123 Ca 0.32 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.11 1lss h ALA 123 Cb 0.35 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 1lss h ALA 123 CO -0.11 -0.54 0.26 -0.91 0.00 0.00 0.00 179.25 177.95 1lss h ASN 124 N -0.69 0.35 -0.31 0.00 2.35 -1.10 0.28 115.58 116.45 1lss h ASN 124 Ca -0.04 0.04 0.07 0.00 -0.55 0.00 0.00 56.30 55.82 1lss h ASN 124 Cb 0.48 -0.02 -0.08 0.00 0.05 0.00 0.00 38.32 38.75 1lss h ASN 124 CO 0.06 0.24 -0.20 0.22 -1.65 0.00 0.00 177.43 176.10 1lss h TYR 125 N 0.50 -0.52 -0.70 1.19 3.20 -1.14 0.54 116.97 120.03 1lss h TYR 125 Ca 0.25 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 62.13 1lss h TYR 125 Cb 0.19 0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.70 1lss h TYR 125 CO -0.11 -0.28 0.33 0.82 -1.64 0.00 0.00 178.16 177.28 1lss h ILE 126 N -0.17 1.23 -0.43 1.81 2.04 -0.50 -2.39 117.51 119.09 1lss h ILE 126 Ca 0.16 -0.65 -0.09 0.00 1.00 0.00 0.00 64.86 65.29 1lss h ILE 126 Cb 0.42 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1lss h ILE 126 CO -0.41 0.27 -0.08 -0.08 0.00 0.00 0.00 178.15 177.84 1lss h GLU 127 N 1.00 0.82 -0.65 2.37 4.81 0.95 -2.76 114.58 121.10 1lss h GLU 127 Ca 0.24 -0.30 0.04 0.00 -0.13 0.00 0.00 59.36 59.21 1lss h GLU 127 Cb 0.11 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 1lss h GLU 127 CO -0.03 0.92 0.43 0.87 -0.73 0.00 0.00 179.01 180.47 1lss h LYS 128 N 0.64 0.75 -0.22 1.92 1.57 0.34 -1.66 116.57 119.90 1lss h LYS 128 Ca 0.11 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1lss h LYS 128 Cb 0.61 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1lss h LYS 128 CO 0.04 0.49 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.34 1lss h LEU 129 N 0.77 0.39 -2.15 2.94 3.38 -1.25 -2.51 115.31 116.88 1lss h LEU 129 Ca 0.26 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1lss h LEU 129 Cb 0.09 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1lss h LEU 129 CO -0.07 0.61 -0.04 0.40 0.09 0.00 0.00 178.44 179.43 1lss h ILE 130 N 0.16 0.77 -0.33 1.22 2.04 -1.15 -1.46 117.51 118.76 1lss h ILE 130 Ca 0.06 -0.14 -0.13 0.00 1.00 0.00 0.00 64.86 65.66 1lss h ILE 130 Cb 0.42 1.08 -0.08 0.00 -0.74 0.00 0.00 36.82 37.50 1lss h ILE 130 CO 0.01 0.04 0.17 -0.62 0.00 0.00 0.00 178.15 177.74 1lss n GLU 131 N -4.12 1.86 0.00 2.37 -0.58 -0.68 -5.12 120.64 114.37 1lss n GLU 131 Ca -0.03 -1.19 0.00 0.00 -0.42 0.00 0.00 57.16 55.52 1lss n GLU 131 Cb 0.12 -1.58 0.00 0.00 -0.57 0.00 0.00 31.44 29.41 1lss n GLU 131 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52