#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iou s ARG 2 N 0.00 0.27 0.68 2.12 0.52 -1.25 -4.34 118.95 116.94 1iou s ARG 2 Ca 0.00 0.84 -0.16 0.00 -0.52 0.00 0.00 55.73 55.89 1iou s ARG 2 Cb 0.00 0.10 0.01 0.00 0.52 0.00 0.00 34.95 35.58 1iou s ARG 2 CO 0.00 -0.23 1.19 -1.50 0.02 0.00 0.00 175.30 174.77 1iou s ILE 3 N 2.15 2.60 0.00 1.52 2.07 -1.23 -2.91 121.20 125.41 1iou s ILE 3 Ca -0.03 0.31 0.00 0.00 -1.41 0.00 0.00 60.65 59.52 1iou s ILE 3 Cb -0.11 -2.92 0.00 0.00 0.13 0.00 0.00 42.46 39.56 1iou s ILE 3 CO -0.11 -0.14 0.00 -1.22 -1.91 0.00 0.00 174.94 171.56 1iou n TYR 4 N -2.35 0.00 -3.97 3.50 4.01 -0.78 -4.86 117.16 112.71 1iou n TYR 4 Ca 0.13 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.77 1iou n TYR 4 Cb 0.50 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.43 1iou n TYR 4 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1iou s TYR 5 N -1.81 0.23 0.13 -0.72 6.14 0.69 0.17 117.35 122.17 1iou s TYR 5 Ca 0.00 -0.48 -0.11 0.00 0.64 0.00 0.00 57.07 57.12 1iou s TYR 5 Cb 0.00 -0.17 0.01 0.00 0.42 0.00 0.00 41.96 42.22 1iou s TYR 5 CO 0.00 -0.20 0.29 0.42 0.64 0.00 0.00 175.55 176.69 1iou s ILE 6 N -1.45 0.10 -4.80 3.14 1.01 -0.74 0.87 121.20 119.33 1iou s ILE 6 Ca -0.16 -1.08 0.00 0.00 0.00 0.00 0.00 60.65 59.41 1iou s ILE 6 Cb -0.10 -1.47 0.00 0.00 0.01 0.00 0.00 42.46 40.90 1iou s ILE 6 CO -0.01 -0.43 0.00 0.61 0.00 0.00 0.00 174.94 175.11 1iou n GLY 7 N -0.16 -1.59 3.26 6.18 0.00 -0.60 -0.49 105.19 111.79 1iou n GLY 7 Ca -0.13 -1.23 -0.14 0.00 0.00 0.00 0.00 46.02 44.52 1iou n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iou s VAL 8 N -2.86 1.21 -0.20 1.61 1.01 0.11 -1.38 120.40 119.90 1iou s VAL 8 Ca 0.00 -2.07 -0.13 0.00 0.00 0.00 0.00 61.98 59.78 1iou s VAL 8 Cb 0.00 -1.86 0.06 0.00 0.00 0.00 0.00 36.38 34.58 1iou s VAL 8 CO 0.00 -0.74 0.49 -0.36 0.00 0.00 0.00 175.10 174.49 1iou s PHE 9 N -3.30 -0.69 -0.43 5.22 0.40 0.01 -2.18 117.98 117.01 1iou s PHE 9 Ca 0.17 1.48 -0.19 0.00 -0.60 0.00 0.00 56.93 57.79 1iou s PHE 9 Cb 0.02 0.33 0.02 0.00 0.51 0.00 0.00 43.02 43.90 1iou s PHE 9 CO 0.01 -0.36 0.55 0.50 0.70 0.00 0.00 175.22 176.61 1iou s ARG 10 N 1.19 3.21 -0.85 0.44 3.00 -0.42 -0.60 118.95 124.92 1iou s ARG 10 Ca -0.07 -0.54 -0.24 0.00 -1.00 0.00 0.00 55.73 53.88 1iou s ARG 10 Cb -0.07 -3.95 -0.20 0.00 0.00 0.00 0.00 34.95 30.73 1iou s ARG 10 CO -0.11 -0.92 2.47 0.43 0.00 0.00 0.00 175.30 177.16 1iou n SER 11 N 5.94 0.58 -2.37 -2.12 7.64 -1.26 -0.11 113.62 121.92 1iou n SER 11 Ca -0.04 -0.39 -0.33 0.00 1.01 0.00 0.00 58.87 59.12 1iou n SER 11 Cb 0.48 -1.09 0.06 0.00 -1.01 0.00 0.00 64.21 62.64 1iou n SER 11 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iou n GLY 12 N 6.20 5.48 3.99 0.23 0.00 -0.01 -4.89 105.19 116.19 1iou n GLY 12 Ca 0.57 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 44.45 1iou n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iou n GLY 13 N -0.58 1.54 0.23 -0.02 0.00 -1.26 -3.75 105.19 101.34 1iou n GLY 13 Ca 0.56 -0.68 0.12 0.00 0.00 0.00 0.00 46.02 46.01 1iou n GLY 13 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1iou h GLU 14 N 0.00 0.00 -6.32 1.61 5.08 -1.95 -3.45 114.58 109.55 1iou h GLU 14 Ca 0.00 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.77 1iou h GLU 14 Cb 0.00 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.03 1iou h GLU 14 CO 0.00 0.11 -0.83 0.21 -1.00 0.00 0.00 179.01 177.49 1iou s LYS 15 N -3.38 1.19 -0.19 2.33 2.36 -1.25 -4.80 119.74 116.00 1iou s LYS 15 Ca 0.04 -1.21 -0.14 0.00 -2.55 0.00 0.00 55.97 52.10 1iou s LYS 15 Cb 0.07 -1.50 -0.04 0.00 -1.05 0.00 0.00 37.83 35.31 1iou s LYS 15 CO 0.64 0.35 0.32 0.00 1.55 0.00 0.00 175.35 178.21 1iou s ALA 16 N -1.17 3.58 0.16 3.13 0.00 -1.24 -0.83 121.76 125.38 1iou s ALA 16 Ca 0.08 -0.54 -0.31 0.00 0.00 0.00 0.00 51.96 51.19 1iou s ALA 16 Cb -0.10 -2.49 -0.10 0.00 0.00 0.00 0.00 23.12 20.43 1iou s ALA 16 CO 0.05 -0.12 1.58 -1.17 0.00 0.00 0.00 175.76 176.10 1iou s LEU 17 N 0.92 4.37 -0.98 0.00 0.20 0.85 -4.78 118.68 119.26 1iou s LEU 17 Ca 0.16 2.61 -0.13 0.00 0.69 0.00 0.00 54.13 57.46 1iou s LEU 17 Cb -0.14 -3.59 -0.09 0.00 -0.43 0.00 0.00 46.19 41.95 1iou s LEU 17 CO 0.06 -0.83 2.12 -1.84 -0.29 0.00 0.00 176.35 175.56 1iou n GLU 18 N 4.15 2.07 0.00 1.98 0.28 -1.26 -1.30 120.64 126.56 1iou n GLU 18 Ca 0.14 -1.79 0.00 0.00 -0.16 0.00 0.00 57.16 55.35 1iou n GLU 18 Cb 0.39 -2.75 0.00 0.00 1.43 0.00 0.00 31.44 30.50 1iou n GLU 18 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1iou n LEU 19 N 5.65 0.00 -4.03 -1.84 4.77 -1.04 -4.30 117.00 116.20 1iou n LEU 19 Ca 0.50 0.83 -0.14 0.00 -0.03 0.00 0.00 56.01 57.18 1iou n LEU 19 Cb 0.27 -0.33 -0.12 0.00 -2.33 0.00 0.00 43.42 40.91 1iou n LEU 19 CO 0.87 -0.33 -0.40 -0.94 -1.33 0.00 0.00 177.39 175.26 1iou s SER 20 N -2.70 0.76 -0.07 -1.43 1.04 -0.93 -2.47 113.70 107.91 1iou s SER 20 Ca 0.00 -0.42 -0.02 0.00 0.48 0.00 0.00 55.95 55.99 1iou s SER 20 Cb 0.00 0.01 0.03 0.00 0.10 0.00 0.00 66.02 66.16 1iou s SER 20 CO 0.00 -0.13 0.04 -0.70 0.98 0.00 0.00 173.24 173.43 1iou s GLU 21 N -1.18 0.18 -0.03 4.02 -6.30 -1.10 0.10 118.70 114.39 1iou s GLU 21 Ca -0.07 0.22 0.07 0.00 -2.50 0.00 0.00 54.97 52.69 1iou s GLU 21 Cb -0.08 -0.85 -0.02 0.00 0.00 0.00 0.00 34.13 33.18 1iou s GLU 21 CO 0.00 -0.37 -0.25 0.54 0.02 0.00 0.00 175.26 175.20 1iou s VAL 22 N 2.09 2.02 0.23 3.70 0.11 0.36 -4.64 120.40 124.27 1iou s VAL 22 Ca 0.04 -1.08 0.10 0.00 -2.93 0.00 0.00 61.98 58.11 1iou s VAL 22 Cb -0.13 -1.69 -0.04 0.00 -1.53 0.00 0.00 36.38 32.99 1iou s VAL 22 CO -0.04 0.57 -0.07 -0.54 -3.33 0.00 0.00 175.10 171.68 1iou s LYS 23 N -0.45 2.11 -0.21 1.54 1.02 -1.26 -1.79 119.74 120.69 1iou s LYS 23 Ca 0.05 -1.41 -0.04 0.00 0.02 0.00 0.00 55.97 54.60 1iou s LYS 23 Cb -0.11 -2.10 0.08 0.00 -0.52 0.00 0.00 37.83 35.18 1iou s LYS 23 CO 0.01 0.39 0.15 0.34 -0.92 0.00 0.00 175.35 175.31 1iou s ASP 24 N -3.30 2.31 -0.55 2.83 2.15 0.44 -4.94 116.67 115.61 1iou s ASP 24 Ca 0.28 -0.67 0.04 0.00 0.43 0.00 0.00 52.55 52.63 1iou s ASP 24 Cb -0.07 -0.05 0.16 0.00 -0.30 0.00 0.00 42.92 42.66 1iou s ASP 24 CO 0.17 -0.37 0.39 -0.76 -0.17 0.00 0.00 175.17 174.44 1iou s LEU 25 N 2.19 3.23 -0.08 -1.34 1.02 -1.26 -4.48 118.68 117.96 1iou s LEU 25 Ca 0.05 -3.35 -0.03 0.00 0.02 0.00 0.00 54.13 50.83 1iou s LEU 25 Cb -0.16 -1.11 -0.01 0.00 0.02 0.00 0.00 46.19 44.93 1iou s LEU 25 CO -0.18 -0.15 0.12 0.28 0.02 0.00 0.00 176.35 176.44 1iou h SER 26 N 5.73 -0.08 1.06 2.29 0.02 -1.95 -3.37 113.55 117.26 1iou h SER 26 Ca 0.16 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.00 1iou h SER 26 Cb 0.84 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.39 1iou h SER 26 CO 0.55 0.37 -0.50 1.56 -1.14 0.00 0.00 176.83 177.67 1iou h GLN 27 N -0.95 0.00 -5.84 3.45 4.20 -2.00 -3.39 115.11 110.58 1iou h GLN 27 Ca -0.01 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.16 1iou h GLN 27 Cb 0.07 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.78 1iou h GLN 27 CO 0.02 0.50 1.62 -0.06 -0.67 0.00 0.00 178.83 180.24 1iou s PHE 28 N -3.29 2.44 0.00 2.96 0.08 -1.26 -4.96 117.98 113.95 1iou s PHE 28 Ca 0.01 -0.74 0.00 0.00 0.12 0.00 0.00 56.93 56.32 1iou s PHE 28 Cb 0.10 -4.51 0.00 0.00 -0.57 0.00 0.00 43.02 38.04 1iou s PHE 28 CO 0.73 -1.72 0.00 0.41 -0.10 0.00 0.00 175.22 174.53 1iou n GLY 29 N 6.06 -3.04 1.43 4.36 0.00 -1.26 -3.15 105.19 109.59 1iou n GLY 29 Ca 0.43 -1.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.42 1iou n GLY 29 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1iou n PHE 30 N -0.16 0.28 0.00 1.61 1.16 -1.26 -1.58 117.46 117.51 1iou n PHE 30 Ca 0.00 -1.01 0.00 0.00 -1.87 0.00 0.00 57.45 54.57 1iou n PHE 30 Cb 0.00 -0.50 0.00 0.00 -1.61 0.00 0.00 39.48 37.37 1iou n PHE 30 CO 0.00 0.00 0.00 1.19 -1.87 0.00 0.00 176.76 176.08 1iou n PHE 31 N 1.00 -0.00 0.10 2.97 3.72 -1.26 -4.88 117.46 119.11 1iou n PHE 31 Ca 0.05 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.56 1iou n PHE 31 Cb 0.54 0.03 -0.15 0.00 -0.94 0.00 0.00 39.48 38.96 1iou n PHE 31 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1iou n GLU 32 N -1.56 0.60 -0.33 -1.08 -0.58 -1.22 -4.39 120.64 112.08 1iou n GLU 32 Ca 0.00 -0.16 0.10 0.00 -0.42 0.00 0.00 57.16 56.68 1iou n GLU 32 Cb 0.00 -1.47 0.30 0.00 -0.57 0.00 0.00 31.44 29.70 1iou n GLU 32 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1iou h ARG 33 N 0.00 0.83 0.35 3.49 2.43 -1.24 0.68 114.38 120.91 1iou h ARG 33 Ca 0.00 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1iou h ARG 33 Cb 0.87 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1iou h ARG 33 CO 0.00 0.55 -0.17 1.03 -1.51 0.00 0.00 179.97 179.87 1iou h SER 34 N 0.85 -0.40 0.36 -3.80 0.87 -1.82 -1.89 113.55 107.72 1iou h SER 34 Ca 0.50 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.97 1iou h SER 34 Cb 0.66 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 1iou h SER 34 CO -0.27 0.05 -0.29 0.77 -0.53 0.00 0.00 176.83 176.56 1iou h SER 35 N -1.06 -0.76 -0.50 6.23 4.64 -1.69 -2.57 113.55 117.84 1iou h SER 35 Ca -0.05 0.06 0.07 0.00 -0.47 0.00 0.00 61.79 61.40 1iou h SER 35 Cb 0.46 0.25 -0.06 0.00 -0.31 0.00 0.00 62.40 62.74 1iou h SER 35 CO 0.08 -0.43 0.16 0.58 -0.87 0.00 0.00 176.83 176.34 1iou h VAL 36 N -0.65 0.80 -0.31 0.95 2.07 0.22 -1.67 116.25 117.65 1iou h VAL 36 Ca -0.03 -0.11 0.07 0.00 0.82 0.00 0.00 66.70 67.45 1iou h VAL 36 Cb 0.57 0.45 -0.08 0.00 -1.52 0.00 0.00 31.29 30.71 1iou h VAL 36 CO -0.02 0.06 -0.35 1.23 0.02 0.00 0.00 177.57 178.51 1iou h GLY 37 N 0.32 -0.39 1.22 2.17 0.00 -1.10 0.73 103.07 106.02 1iou h GLY 37 Ca 0.24 0.44 0.10 0.00 0.00 0.00 0.00 47.33 48.11 1iou h GLY 37 CO -0.27 -0.21 0.30 1.46 0.00 0.00 0.00 176.54 177.83 1iou h GLN 38 N -0.32 0.16 0.01 4.80 4.20 -1.06 -0.33 115.11 122.56 1iou h GLN 38 Ca 0.14 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 1iou h GLN 38 Cb 0.56 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1iou h GLN 38 CO -0.49 0.10 -0.00 0.35 -0.67 0.00 0.00 178.83 178.12 1iou h PHE 39 N 0.16 -0.01 0.84 2.96 3.57 0.11 -0.29 116.94 124.28 1iou h PHE 39 Ca 0.20 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 1iou h PHE 39 Cb 0.59 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.34 1iou h PHE 39 CO -0.00 0.26 -0.47 0.52 -2.23 0.00 0.00 178.31 176.39 1iou h MET 40 N -0.29 -1.16 0.82 1.11 2.86 0.16 -2.17 114.93 116.26 1iou h MET 40 Ca -0.00 0.08 -0.04 0.00 -2.06 0.00 0.00 59.70 57.68 1iou h MET 40 Cb 0.28 0.26 0.00 0.00 0.06 0.00 0.00 31.60 32.21 1iou h MET 40 CO 0.00 -0.78 -0.44 1.15 1.06 0.00 0.00 176.91 177.90 1iou h THR 41 N -1.21 0.00 -1.09 2.22 2.02 -1.25 0.35 112.91 113.96 1iou h THR 41 Ca -0.11 0.00 0.41 0.00 0.77 0.00 0.00 66.41 67.48 1iou h THR 41 Cb 0.95 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 67.20 1iou h THR 41 CO 0.14 0.00 0.63 0.15 0.37 0.00 0.00 175.52 176.81 1iou h PHE 42 N -1.16 0.77 0.03 3.16 3.57 -1.12 1.23 116.94 123.42 1iou h PHE 42 Ca -0.11 0.04 -0.18 0.00 3.53 0.00 0.00 57.97 61.24 1iou h PHE 42 Cb 0.91 -0.18 0.02 0.00 2.79 0.00 0.00 35.95 39.48 1iou h PHE 42 CO -0.03 -0.37 -0.71 0.74 -2.23 0.00 0.00 178.31 175.71 1iou h PHE 43 N 0.07 0.67 -0.97 0.41 0.04 -1.01 -2.17 116.94 113.97 1iou h PHE 43 Ca 0.83 -0.38 0.03 0.00 2.80 0.00 0.00 57.97 61.24 1iou h PHE 43 Cb 2.26 -0.07 -0.05 0.00 2.20 0.00 0.00 35.95 40.29 1iou h PHE 43 CO -0.01 1.22 0.64 0.00 -0.60 0.00 0.00 178.31 179.55 1iou h ALA 44 N 0.29 1.26 -0.34 2.45 0.00 0.53 0.22 119.26 123.68 1iou h ALA 44 Ca -0.10 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 1iou h ALA 44 Cb 1.43 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1iou h ALA 44 CO 0.14 0.55 -0.38 1.05 0.00 0.00 0.00 179.25 180.62 1iou h GLU 45 N 1.25 0.86 0.34 0.00 4.11 0.11 -2.88 114.58 118.37 1iou h GLU 45 Ca 0.37 -0.47 -0.02 0.00 0.07 0.00 0.00 59.36 59.32 1iou h GLU 45 Cb -0.05 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1iou h GLU 45 CO -0.11 1.11 -0.16 1.15 0.07 0.00 0.00 179.01 181.07 1iou h THR 46 N 0.65 0.68 -0.27 -1.06 2.02 -0.68 -1.42 112.91 112.83 1iou h THR 46 Ca 0.05 -0.06 0.04 0.00 0.77 0.00 0.00 66.41 67.20 1iou h THR 46 Cb 0.97 0.71 -0.07 0.00 -1.74 0.00 0.00 68.15 68.02 1iou h THR 46 CO 0.09 0.01 -0.50 -0.37 0.37 0.00 0.00 175.52 175.13 1iou h VAL 47 N -0.48 0.00 -0.75 3.16 -1.51 -0.60 0.94 116.25 117.01 1iou h VAL 47 Ca -0.05 0.00 0.20 0.00 -1.23 0.00 0.00 66.70 65.63 1iou h VAL 47 Cb 0.37 0.00 -0.04 0.00 -2.13 0.00 0.00 31.29 29.49 1iou h VAL 47 CO 0.08 0.00 0.53 0.00 -1.23 0.00 0.00 177.57 176.94 1iou h ALA 48 N -0.27 2.58 -0.15 5.19 0.00 -1.47 1.73 119.26 126.87 1iou h ALA 48 Ca 0.05 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 1iou h ALA 48 Cb 0.56 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1iou h ALA 48 CO -0.48 -0.80 -0.53 0.77 0.00 0.00 0.00 179.25 178.21 1iou h SER 49 N 0.08 0.48 0.77 0.00 0.02 0.14 -2.90 113.55 112.14 1iou h SER 49 Ca 0.36 -0.25 -0.21 0.00 -0.84 0.00 0.00 61.79 60.85 1iou h SER 49 Cb 1.31 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.70 1iou h SER 49 CO -0.03 0.92 -0.99 0.03 -1.14 0.00 0.00 176.83 175.62 1iou h ARG 50 N 0.34 0.12 -5.74 3.45 3.08 0.80 -3.42 114.38 113.01 1iou h ARG 50 Ca 0.01 -0.16 -0.62 0.00 0.07 0.00 0.00 59.98 59.28 1iou h ARG 50 Cb 1.04 0.05 -0.13 0.00 0.08 0.00 0.00 29.97 31.02 1iou h ARG 50 CO 0.09 1.00 0.48 0.99 -1.07 0.00 0.00 179.97 181.47 1iou s THR 51 N -2.91 4.47 -0.21 2.04 2.01 0.50 -4.92 115.64 116.62 1iou s THR 51 Ca -0.01 0.19 -0.02 0.00 0.31 0.00 0.00 61.69 62.15 1iou s THR 51 Cb 0.10 -4.49 0.05 0.00 0.01 0.00 0.00 72.50 68.16 1iou s THR 51 CO 0.83 -1.04 2.44 0.61 -0.69 0.00 0.00 174.62 176.77 1iou n GLY 52 N 5.11 3.57 1.56 4.40 0.00 -1.26 -4.75 105.19 113.83 1iou n GLY 52 Ca 0.01 -1.01 0.06 0.00 0.00 0.00 0.00 46.02 45.07 1iou n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iou n ALA 53 N 1.10 -2.60 -0.92 4.61 0.00 -1.26 -4.80 120.51 116.64 1iou n ALA 53 Ca 0.29 0.65 0.00 0.00 0.00 0.00 0.00 53.44 54.37 1iou n ALA 53 Cb 0.61 -1.53 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1iou n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iou n GLY 54 N -3.22 1.01 3.38 0.00 0.00 -1.25 -4.99 105.19 100.12 1iou n GLY 54 Ca -0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 1iou n GLY 54 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1iou s GLU 55 N -0.06 1.28 0.27 1.61 -1.05 -1.26 -5.04 118.70 114.45 1iou s GLU 55 Ca 0.00 -1.30 0.12 0.00 -0.15 0.00 0.00 54.97 53.63 1iou s GLU 55 Cb 0.00 0.38 -0.05 0.00 -0.44 0.00 0.00 34.13 34.02 1iou s GLU 55 CO 0.00 -0.48 -0.18 1.03 0.95 0.00 0.00 175.26 176.58 1iou s ARG 56 N -4.03 1.73 0.03 -4.83 0.52 -1.26 -3.14 118.95 107.97 1iou s ARG 56 Ca 0.24 -1.71 0.00 0.00 -0.52 0.00 0.00 55.73 53.74 1iou s ARG 56 Cb 0.03 -1.82 -0.02 0.00 0.52 0.00 0.00 34.95 33.66 1iou s ARG 56 CO 0.05 0.34 -0.04 -0.65 0.02 0.00 0.00 175.30 175.03 1iou s GLN 57 N -3.44 0.37 -0.27 3.54 -0.21 -0.86 -4.94 119.66 113.86 1iou s GLN 57 Ca 0.29 -0.68 -0.03 0.00 0.02 0.00 0.00 55.36 54.96 1iou s GLN 57 Cb -0.05 0.04 0.09 0.00 1.00 0.00 0.00 33.01 34.08 1iou s GLN 57 CO 0.15 -0.03 0.10 -1.12 -2.12 0.00 0.00 175.29 172.27 1iou s SER 58 N -1.58 3.46 -0.58 5.90 0.01 -1.26 0.24 113.70 119.89 1iou s SER 58 Ca -0.13 -1.25 -0.24 0.00 1.31 0.00 0.00 55.95 55.64 1iou s SER 58 Cb -0.09 -0.52 0.05 0.00 0.21 0.00 0.00 66.02 65.67 1iou s SER 58 CO -0.01 -0.40 0.96 0.27 0.41 0.00 0.00 173.24 174.47 1iou s ILE 59 N 1.93 4.34 -0.27 1.44 -4.36 -0.92 -4.81 121.20 118.56 1iou s ILE 59 Ca 0.07 0.16 -0.23 0.00 -0.26 0.00 0.00 60.65 60.39 1iou s ILE 59 Cb -0.17 -4.59 -0.01 0.00 1.25 0.00 0.00 42.46 38.95 1iou s ILE 59 CO -0.26 -1.22 0.75 -1.61 0.24 0.00 0.00 174.94 172.84 1iou s GLU 60 N 4.07 4.08 0.46 0.37 8.01 -1.26 -0.17 118.70 134.25 1iou s GLU 60 Ca 0.29 0.70 0.06 0.00 0.01 0.00 0.00 54.97 56.02 1iou s GLU 60 Cb -0.13 -3.68 -0.03 0.00 -4.31 0.00 0.00 34.13 25.98 1iou s GLU 60 CO 0.17 -0.54 0.16 -2.00 0.01 0.00 0.00 175.26 173.06 1iou s GLU 61 N 2.78 2.19 0.56 1.61 -6.30 0.29 -4.96 118.70 114.86 1iou s GLU 61 Ca 0.31 -2.03 0.47 0.00 -2.50 0.00 0.00 54.97 51.22 1iou s GLU 61 Cb -0.15 -1.86 1.66 0.00 0.00 0.00 0.00 34.13 33.79 1iou s GLU 61 CO 0.09 -0.24 1.59 0.78 0.02 0.00 0.00 175.26 177.50 1iou h GLY 62 N 1.34 0.00 -4.62 -1.50 0.00 -2.05 -2.93 103.07 93.31 1iou h GLY 62 Ca -0.42 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.77 1iou h GLY 62 CO 0.70 0.00 -0.22 -2.01 0.00 0.00 0.00 176.54 175.01 1iou n ASN 63 N -3.92 -1.19 -3.63 0.19 4.05 -1.26 -5.14 115.26 104.36 1iou n ASN 63 Ca 0.41 -1.99 -0.14 0.00 0.45 0.00 0.00 54.58 53.31 1iou n ASN 63 Cb 1.89 0.56 -0.06 0.00 1.23 0.00 0.00 39.78 43.39 1iou n ASN 63 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 1iou s TYR 64 N 0.11 -0.35 -0.19 1.20 1.51 -1.11 -4.78 117.35 113.73 1iou s TYR 64 Ca 0.07 0.43 -0.02 0.00 -1.01 0.00 0.00 57.07 56.55 1iou s TYR 64 Cb 0.37 0.26 0.06 0.00 -0.11 0.00 0.00 41.96 42.53 1iou s TYR 64 CO -0.11 -0.57 0.01 0.42 -1.11 0.00 0.00 175.55 174.20 1iou s ILE 65 N -2.09 0.76 -1.18 2.71 1.01 0.38 0.10 121.20 122.90 1iou s ILE 65 Ca -0.08 -0.66 -0.13 0.00 0.00 0.00 0.00 60.65 59.79 1iou s ILE 65 Cb -0.01 -1.18 0.20 0.00 0.01 0.00 0.00 42.46 41.48 1iou s ILE 65 CO 0.01 -0.14 1.35 -0.83 0.00 0.00 0.00 174.94 175.33 1iou s GLY 66 N 1.75 2.63 0.97 6.18 0.00 0.76 0.72 107.32 120.33 1iou s GLY 66 Ca -0.01 -3.49 -0.12 0.00 0.00 0.00 0.00 44.72 41.09 1iou s GLY 66 CO -0.07 1.86 0.64 1.42 0.00 0.00 0.00 173.10 176.95 1iou n HIS 67 N 4.86 -0.71 -3.70 1.90 8.25 1.00 -2.15 115.22 124.67 1iou n HIS 67 Ca 0.33 0.26 -0.11 0.00 -0.26 0.00 0.00 57.72 57.94 1iou n HIS 67 Cb 0.42 -1.83 -0.12 0.00 1.12 0.00 0.00 29.99 29.58 1iou n HIS 67 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1iou s VAL 68 N -2.46 -0.10 -0.18 1.59 1.01 0.64 -0.76 120.40 120.14 1iou s VAL 68 Ca 0.61 0.14 -0.01 0.00 0.00 0.00 0.00 61.98 62.71 1iou s VAL 68 Cb -0.21 -0.51 0.05 0.00 0.00 0.00 0.00 36.38 35.71 1iou s VAL 68 CO 0.64 0.06 -0.02 -0.31 0.00 0.00 0.00 175.10 175.47 1iou s TYR 69 N 1.50 1.53 0.27 5.22 2.02 -0.26 -2.02 117.35 125.61 1iou s TYR 69 Ca -0.08 -1.05 -0.13 0.00 -0.37 0.00 0.00 57.07 55.44 1iou s TYR 69 Cb -0.10 -1.23 -0.08 0.00 -0.40 0.00 0.00 41.96 40.15 1iou s TYR 69 CO -0.11 -0.62 0.64 0.00 -1.57 0.00 0.00 175.55 173.90 1iou s ALA 70 N 1.69 3.45 1.08 3.71 0.00 -1.19 -1.50 121.76 129.00 1iou s ALA 70 Ca -0.01 -0.10 -0.13 0.00 0.00 0.00 0.00 51.96 51.72 1iou s ALA 70 Cb -0.16 -2.61 0.18 0.00 0.00 0.00 0.00 23.12 20.53 1iou s ALA 70 CO -0.07 0.42 0.85 2.89 0.00 0.00 0.00 175.76 179.85 1iou n ARG 71 N -0.14 -1.63 -0.00 0.00 -4.01 -1.25 -4.70 116.66 104.92 1iou n ARG 71 Ca 0.01 -1.34 0.02 0.00 -1.04 0.00 0.00 57.85 55.51 1iou n ARG 71 Cb 0.53 -1.04 0.02 0.00 -3.04 0.00 0.00 32.46 28.93 1iou n ARG 71 CO 0.00 0.00 0.00 0.43 -3.04 0.00 0.00 177.63 175.02 1iou n SER 72 N -3.92 1.43 0.00 2.89 7.64 -1.26 -3.92 113.62 116.48 1iou n SER 72 Ca 0.11 -1.22 -0.00 0.00 1.01 0.00 0.00 58.87 58.77 1iou n SER 72 Cb 0.41 -0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.60 1iou n SER 72 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1iou n GLU 73 N 0.27 0.00 0.00 1.43 4.71 -1.26 -5.08 120.64 120.71 1iou n GLU 73 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.18 1iou n GLU 73 Cb 0.13 -0.16 0.00 0.00 -1.01 0.00 0.00 31.44 30.40 1iou n GLU 73 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1iou n GLY 74 N 2.87 0.00 3.34 0.62 0.00 -1.26 -5.10 105.19 105.67 1iou n GLY 74 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1iou n GLY 74 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1iou s ILE 75 N -0.21 3.34 0.86 -0.61 -0.00 -1.20 -4.40 121.20 118.98 1iou s ILE 75 Ca 0.00 -0.52 -0.11 0.00 -0.00 0.00 0.00 60.65 60.02 1iou s ILE 75 Cb 0.00 -2.49 0.15 0.00 -0.00 0.00 0.00 42.46 40.12 1iou s ILE 75 CO 0.00 0.46 1.20 0.00 -0.00 0.00 0.00 174.94 176.59 1iou s GLY 77 N -4.76 -0.14 0.15 0.00 0.00 -0.56 -0.81 107.32 101.20 1iou s GLY 77 Ca 0.69 0.42 0.09 0.00 0.00 0.00 0.00 44.72 45.92 1iou s GLY 77 CO 0.50 0.27 -0.20 0.14 0.00 0.00 0.00 173.10 173.81 1iou s VAL 78 N -0.73 1.85 0.05 1.40 1.01 -0.48 -1.10 120.40 122.40 1iou s VAL 78 Ca -0.08 -1.81 0.03 0.00 0.00 0.00 0.00 61.98 60.12 1iou s VAL 78 Cb -0.04 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 1iou s VAL 78 CO 0.02 -0.20 -0.09 -0.22 0.00 0.00 0.00 175.10 174.60 1iou s LEU 79 N -2.41 2.25 -0.17 3.92 0.20 0.06 -1.55 118.68 120.97 1iou s LEU 79 Ca 0.13 -0.54 -0.04 0.00 0.69 0.00 0.00 54.13 54.37 1iou s LEU 79 Cb -0.07 -0.27 0.08 0.00 -0.43 0.00 0.00 46.19 45.50 1iou s LEU 79 CO 0.06 -0.15 0.29 -0.63 -0.29 0.00 0.00 176.35 175.62 1iou s ILE 80 N -1.28 -0.45 0.12 6.68 1.01 0.25 0.33 121.20 127.87 1iou s ILE 80 Ca -0.07 0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.74 1iou s ILE 80 Cb -0.10 -0.57 -0.01 0.00 0.01 0.00 0.00 42.46 41.80 1iou s ILE 80 CO 0.01 0.01 0.11 1.07 0.00 0.00 0.00 174.94 176.14 1iou n THR 81 N 5.35 0.00 -2.19 2.92 5.66 0.22 -0.22 114.28 126.02 1iou n THR 81 Ca -0.06 -0.85 -0.31 0.00 -3.05 0.00 0.00 64.05 59.78 1iou n THR 81 Cb 0.50 0.44 -0.01 0.00 -1.55 0.00 0.00 70.33 69.70 1iou n THR 81 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1iou s ASP 82 N -1.84 6.41 0.57 1.09 -1.08 -1.14 0.14 116.67 120.82 1iou s ASP 82 Ca 0.14 1.43 0.28 0.00 -0.52 0.00 0.00 52.55 53.88 1iou s ASP 82 Cb 0.01 -2.46 1.50 0.00 -1.46 0.00 0.00 42.92 40.50 1iou s ASP 82 CO 0.10 -0.71 1.96 0.11 0.52 0.00 0.00 175.17 177.15 1iou h LYS 83 N 0.31 0.00 -1.74 4.34 1.57 -1.86 -0.87 116.57 118.32 1iou h LYS 83 Ca -0.45 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 57.89 1iou h LYS 83 Cb 1.19 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.33 1iou h LYS 83 CO 0.62 0.00 0.44 1.04 -0.57 0.00 0.00 179.45 180.98 1iou n GLN 84 N -3.91 2.17 -3.55 3.15 1.13 -1.26 -4.63 117.38 110.47 1iou n GLN 84 Ca 0.08 -2.08 -0.28 0.00 -1.94 0.00 0.00 57.00 52.77 1iou n GLN 84 Cb 0.60 -1.93 -0.11 0.00 0.11 0.00 0.00 30.24 28.90 1iou n GLN 84 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 1iou s TYR 85 N -1.91 1.57 0.25 1.08 6.14 -0.33 -4.17 117.35 119.99 1iou s TYR 85 Ca 0.47 -2.35 -0.17 0.00 0.64 0.00 0.00 57.07 55.67 1iou s TYR 85 Cb 0.33 -1.39 -0.12 0.00 0.42 0.00 0.00 41.96 41.20 1iou s TYR 85 CO -0.12 -0.78 0.16 -2.30 0.64 0.00 0.00 175.55 173.15 1iou n PRO 86 N 3.12 0.00 0.12 4.97 -0.02 -1.21 -4.88 135.00 137.11 1iou n PRO 86 Ca 0.20 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1iou n PRO 86 Cb 0.41 -0.74 0.03 0.00 -0.02 0.00 0.00 33.50 33.18 1iou n PRO 86 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1iou h VAL 87 N 0.38 1.17 -0.12 -1.45 2.07 -1.96 -3.28 116.25 113.05 1iou h VAL 87 Ca -0.25 -2.49 0.05 0.00 0.82 0.00 0.00 66.70 64.82 1iou h VAL 87 Cb 1.06 2.47 -0.06 0.00 -1.52 0.00 0.00 31.29 33.24 1iou h VAL 87 CO 0.37 0.63 -0.29 0.03 0.02 0.00 0.00 177.57 178.32 1iou h ARG 88 N 0.00 -0.36 -0.05 1.57 3.08 -1.95 0.57 114.38 117.24 1iou h ARG 88 Ca -0.01 0.02 -0.10 0.00 0.07 0.00 0.00 59.98 59.97 1iou h ARG 88 Cb 1.42 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.54 1iou h ARG 88 CO 0.08 -0.24 -0.43 -1.35 -1.07 0.00 0.00 179.97 176.96 1iou h PRO 89 N -0.37 0.11 0.00 0.04 0.11 -1.89 -0.95 132.00 129.05 1iou h PRO 89 Ca 0.10 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.11 1iou h PRO 89 Cb 0.52 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 1iou h PRO 89 CO -0.33 0.53 -0.18 0.00 -0.21 0.00 0.00 178.00 177.81 1iou h ALA 90 N 1.47 1.39 -0.03 -0.75 0.00 -1.34 0.28 119.26 120.28 1iou h ALA 90 Ca 0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1iou h ALA 90 Cb 0.81 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1iou h ALA 90 CO 0.06 0.22 -0.05 -0.92 0.00 0.00 0.00 179.25 178.56 1iou h TYR 91 N 0.00 0.10 -0.25 0.00 5.03 0.15 -0.15 116.97 121.85 1iou h TYR 91 Ca -0.00 -0.04 -0.04 0.00 2.58 0.00 0.00 58.73 61.23 1iou h TYR 91 Cb 0.40 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.64 1iou h TYR 91 CO 0.00 0.62 -0.04 0.00 -1.32 0.00 0.00 178.16 177.42 1iou h THR 92 N -0.45 1.18 -0.52 1.81 1.03 -0.77 0.07 112.91 115.26 1iou h THR 92 Ca 0.00 -0.71 -0.08 0.00 -0.01 0.00 0.00 66.41 65.61 1iou h THR 92 Cb 0.61 1.03 -0.02 0.00 -1.07 0.00 0.00 68.15 68.70 1iou h THR 92 CO 0.01 0.24 0.00 0.25 -0.01 0.00 0.00 175.52 176.01 1iou h LEU 93 N 0.37 0.84 -1.65 0.00 6.46 -0.37 0.78 115.31 121.74 1iou h LEU 93 Ca 0.08 -0.21 0.00 0.00 -0.12 0.00 0.00 57.88 57.63 1iou h LEU 93 Cb 0.31 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.02 1iou h LEU 93 CO 0.01 0.90 0.00 0.17 -0.62 0.00 0.00 178.44 178.91 1iou h LEU 94 N 0.81 0.00 0.15 2.25 8.10 0.57 -0.80 115.31 126.39 1iou h LEU 94 Ca 0.15 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.14 1iou h LEU 94 Cb 0.48 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.70 1iou h LEU 94 CO 0.02 0.00 -0.07 0.78 -4.11 0.00 0.00 178.44 175.06 1iou h ASN 95 N 0.00 -0.17 -0.32 0.17 2.35 0.92 -2.57 115.58 115.95 1iou h ASN 95 Ca 0.00 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 1iou h ASN 95 Cb 0.45 0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 1iou h ASN 95 CO 0.00 0.22 0.12 0.11 -1.65 0.00 0.00 177.43 176.23 1iou h LYS 96 N -0.89 0.55 0.60 0.81 1.57 -1.26 -1.30 116.57 116.64 1iou h LYS 96 Ca -0.02 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 1iou h LYS 96 Cb 0.16 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.37 1iou h LYS 96 CO 0.03 0.48 -0.29 0.97 -0.57 0.00 0.00 179.45 180.08 1iou h ILE 97 N 0.54 0.10 -0.37 1.86 2.10 -1.27 1.01 117.51 121.49 1iou h ILE 97 Ca 0.13 -0.40 0.02 0.00 1.08 0.00 0.00 64.86 65.69 1iou h ILE 97 Cb 0.17 0.15 -0.02 0.00 -1.09 0.00 0.00 36.82 36.03 1iou h ILE 97 CO -0.01 0.02 0.25 -0.07 -1.08 0.00 0.00 178.15 177.25 1iou h LEU 98 N -1.17 0.35 -0.34 2.19 4.07 -1.45 0.62 115.31 119.59 1iou h LEU 98 Ca -0.08 -0.01 -0.18 0.00 0.08 0.00 0.00 57.88 57.70 1iou h LEU 98 Cb 0.65 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.28 1iou h LEU 98 CO 0.14 0.25 -0.83 -0.78 -1.08 0.00 0.00 178.44 176.13 1iou h ASP 99 N 0.41 0.03 0.09 -0.43 1.82 -1.20 -2.36 116.42 114.79 1iou h ASP 99 Ca 0.15 -0.02 -0.22 0.00 -0.39 0.00 0.00 57.03 56.54 1iou h ASP 99 Cb 0.08 -0.01 0.01 0.00 0.68 0.00 0.00 39.33 40.09 1iou h ASP 99 CO -0.03 0.85 -0.86 -0.08 -1.61 0.00 0.00 179.24 177.50 1iou h GLU 100 N 0.01 0.60 -0.34 0.28 4.57 0.36 0.12 114.58 120.18 1iou h GLU 100 Ca -0.01 -0.55 -0.12 0.00 -1.18 0.00 0.00 59.36 57.50 1iou h GLU 100 Cb 1.47 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 30.18 1iou h GLU 100 CO 0.11 1.17 -0.26 -0.92 -1.18 0.00 0.00 179.01 177.93 1iou h TYR 101 N 0.38 0.91 0.00 0.92 5.03 0.12 -1.58 116.97 122.75 1iou h TYR 101 Ca -0.07 -0.25 -0.11 0.00 2.58 0.00 0.00 58.73 60.88 1iou h TYR 101 Cb 1.49 -0.20 -0.02 0.00 1.55 0.00 0.00 36.73 39.55 1iou h TYR 101 CO 0.07 1.01 -0.51 1.37 -1.32 0.00 0.00 178.16 178.79 1iou h LEU 102 N 0.55 0.00 -0.03 2.82 8.10 -1.46 -3.30 115.31 122.00 1iou h LEU 102 Ca 0.06 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 58.00 1iou h LEU 102 Cb 0.82 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.05 1iou h LEU 102 CO 0.07 0.51 -0.18 0.58 -4.11 0.00 0.00 178.44 175.31 1iou h VAL 103 N 0.00 1.50 -0.79 0.15 2.07 -0.86 -3.17 116.25 115.15 1iou h VAL 103 Ca -0.01 -1.72 0.23 0.00 0.82 0.00 0.00 66.70 66.03 1iou h VAL 103 Cb 1.23 2.54 -0.03 0.00 -1.52 0.00 0.00 31.29 33.50 1iou h VAL 103 CO 0.07 0.47 0.99 0.00 0.02 0.00 0.00 177.57 179.11 1iou h ALA 104 N 0.35 2.65 -1.93 1.67 0.00 -1.36 -3.38 119.26 117.26 1iou h ALA 104 Ca -0.01 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1iou h ALA 104 Cb 0.86 0.06 -0.22 0.00 0.00 0.00 0.00 17.79 18.49 1iou h ALA 104 CO 0.04 -1.39 0.11 -3.38 0.00 0.00 0.00 179.25 174.62 1iou s HIS 105 N -4.44 -0.91 0.19 0.00 0.00 -1.20 -5.13 115.29 103.79 1iou s HIS 105 Ca -0.03 1.93 -0.07 0.00 -3.00 0.00 0.00 55.06 53.89 1iou s HIS 105 Cb 0.13 0.50 -0.06 0.00 -4.00 0.00 0.00 32.58 29.15 1iou s HIS 105 CO 0.45 -0.45 -0.05 -2.30 -1.00 0.00 0.00 174.74 171.40 1iou n PRO 106 N 3.70 0.00 -0.13 -0.38 -0.02 -1.25 -4.63 135.00 132.29 1iou n PRO 106 Ca -0.18 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.20 1iou n PRO 106 Cb 0.58 -0.38 -0.08 0.00 -0.02 0.00 0.00 33.50 33.60 1iou n PRO 106 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1iou h LYS 107 N 0.00 -0.27 0.00 -0.52 6.56 -1.95 -1.80 116.57 118.59 1iou h LYS 107 Ca -0.16 0.02 -0.10 0.00 -1.06 0.00 0.00 60.65 59.36 1iou h LYS 107 Cb 0.55 0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 32.26 1iou h LYS 107 CO 0.16 -0.18 -0.46 1.49 -2.06 0.00 0.00 179.45 178.39 1iou h GLU 108 N -0.28 0.00 -1.25 3.15 4.81 -1.95 -2.32 114.58 116.74 1iou h GLU 108 Ca 0.06 0.00 0.36 0.00 -0.13 0.00 0.00 59.36 59.65 1iou h GLU 108 Cb 0.45 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.78 1iou h GLU 108 CO -0.49 0.46 0.95 1.49 -0.73 0.00 0.00 179.01 180.70 1iou h GLU 109 N 0.00 0.00 0.00 1.92 4.81 -1.61 -2.72 114.58 116.98 1iou h GLU 109 Ca -0.00 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.99 1iou h GLU 109 Cb 0.97 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.32 1iou h GLU 109 CO 0.06 0.00 -1.77 -2.67 -0.73 0.00 0.00 179.01 173.90 1iou n TRP 110 N -4.02 0.00 0.00 0.92 4.27 -1.19 -4.82 117.44 112.59 1iou n TRP 110 Ca 0.27 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.88 1iou n TRP 110 Cb 1.36 -0.49 0.00 0.00 -1.36 0.00 0.00 31.31 30.81 1iou n TRP 110 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1iou n ALA 111 N -3.60 0.00 0.00 -1.67 0.00 -0.88 0.34 120.51 114.70 1iou n ALA 111 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1iou n ALA 111 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.14 1iou n ALA 111 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1iou n ASP 112 N 0.00 3.09 0.00 0.00 8.00 -1.26 -3.27 116.55 123.11 1iou n ASP 112 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1iou n ASP 112 Cb 0.00 0.44 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 1iou n ASP 112 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1iou n VAL 113 N -1.22 0.00 -0.56 2.53 0.31 1.03 -4.59 118.33 115.83 1iou n VAL 113 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1iou n VAL 113 Cb 0.18 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.11 1iou n VAL 113 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1iou n THR 114 N 0.00 0.00 -3.15 2.52 -2.24 -1.26 -4.83 114.28 105.32 1iou n THR 114 Ca 0.00 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.82 1iou n THR 114 Cb 0.00 -0.28 -0.01 0.00 -2.10 0.00 0.00 70.33 67.94 1iou n THR 114 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1iou s GLU 115 N -0.56 0.44 0.32 -0.78 -1.05 -1.26 -5.08 118.70 110.73 1iou s GLU 115 Ca 0.00 0.76 0.03 0.00 -0.15 0.00 0.00 54.97 55.61 1iou s GLU 115 Cb 0.00 0.42 -0.05 0.00 -0.44 0.00 0.00 34.13 34.06 1iou s GLU 115 CO 0.00 -0.50 0.09 0.99 0.95 0.00 0.00 175.26 176.79 1iou s THR 116 N 2.89 0.88 -0.76 1.83 2.01 -1.26 -5.09 115.64 116.14 1iou s THR 116 Ca 0.14 -2.00 0.03 0.00 0.31 0.00 0.00 61.69 60.17 1iou s THR 116 Cb -0.13 -2.66 0.25 0.00 0.01 0.00 0.00 72.50 69.97 1iou s THR 116 CO -0.18 0.00 0.86 0.59 -0.69 0.00 0.00 174.62 175.20 1iou n ASN 117 N -0.76 4.22 0.23 3.53 5.03 -1.25 -4.88 115.26 121.38 1iou n ASN 117 Ca -0.02 -3.38 0.11 0.00 0.87 0.00 0.00 54.58 52.16 1iou n ASN 117 Cb 0.66 -0.83 0.60 0.00 -1.02 0.00 0.00 39.78 39.19 1iou n ASN 117 CO 0.00 0.00 0.00 -2.24 -1.83 0.00 0.00 177.26 173.19 1iou h ASP 118 N 4.76 0.00 0.82 6.41 2.03 -1.67 1.29 116.42 130.06 1iou h ASP 118 Ca 0.19 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.49 1iou h ASP 118 Cb 0.68 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.18 1iou h ASP 118 CO 0.92 0.00 -0.53 0.00 -1.03 0.00 0.00 179.24 178.60 1iou n ALA 119 N -1.74 3.00 -2.09 4.15 0.00 -1.26 -2.69 120.51 119.88 1iou n ALA 119 Ca -0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 53.44 53.14 1iou n ALA 119 Cb 0.28 -1.19 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 1iou n ALA 119 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1iou n LEU 120 N -1.94 -0.37 -4.38 0.00 0.00 0.15 -5.09 117.00 105.37 1iou n LEU 120 Ca 0.04 -1.73 -0.32 0.00 0.00 0.00 0.00 56.01 54.00 1iou n LEU 120 Cb 0.41 0.00 -0.15 0.00 0.00 0.00 0.00 43.42 43.68 1iou n LEU 120 CO 0.35 1.13 -0.51 -0.75 0.00 0.00 0.00 177.39 177.62 1iou s LYS 121 N 0.00 2.47 -0.66 1.96 2.47 0.39 -4.77 119.74 121.60 1iou s LYS 121 Ca 0.06 -0.81 -0.04 0.00 -1.56 0.00 0.00 55.97 53.63 1iou s LYS 121 Cb 0.07 -2.25 -0.04 0.00 -1.46 0.00 0.00 37.83 34.15 1iou s LYS 121 CO -0.03 0.52 0.58 -1.33 0.16 0.00 0.00 175.35 175.25 1iou n MET 122 N 2.58 -1.39 -0.03 4.03 2.81 -1.26 -4.78 117.12 119.08 1iou n MET 122 Ca -0.17 0.60 0.24 0.00 -1.81 0.00 0.00 57.70 56.56 1iou n MET 122 Cb 0.52 -4.27 0.72 0.00 -0.71 0.00 0.00 33.22 29.48 1iou n MET 122 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1iou h LYS 123 N -0.61 0.00 0.63 0.03 6.56 -1.99 -1.56 116.57 119.62 1iou h LYS 123 Ca -0.36 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.20 1iou h LYS 123 Cb 1.18 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.85 1iou h LYS 123 CO 0.27 0.00 -0.30 1.96 -2.06 0.00 0.00 179.45 179.32 1iou h GLN 124 N 0.00 -0.81 -1.33 3.15 1.08 -1.99 -1.04 115.11 114.17 1iou h GLN 124 Ca 0.30 0.06 0.39 0.00 -1.45 0.00 0.00 58.65 57.94 1iou h GLN 124 Cb 1.35 0.18 -0.08 0.00 -0.05 0.00 0.00 27.48 28.89 1iou h GLN 124 CO -0.00 -0.54 0.92 1.25 -0.95 0.00 0.00 178.83 179.50 1iou h LEU 125 N -1.05 0.16 0.32 1.46 6.46 -1.65 0.37 115.31 121.38 1iou h LEU 125 Ca -0.09 0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.71 1iou h LEU 125 Cb 0.65 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.61 1iou h LEU 125 CO 0.14 -0.03 -0.15 0.44 -0.62 0.00 0.00 178.44 178.22 1iou h ASP 126 N 0.11 -0.36 -0.17 1.25 3.32 -1.27 -2.54 116.42 116.75 1iou h ASP 126 Ca 0.70 -0.10 0.05 0.00 0.02 0.00 0.00 57.03 57.71 1iou h ASP 126 Cb 2.46 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 42.09 1iou h ASP 126 CO -0.17 0.11 0.14 0.74 -1.72 0.00 0.00 179.24 178.33 1iou h THR 127 N -1.05 0.74 0.30 0.35 2.02 0.36 -1.97 112.91 113.66 1iou h THR 127 Ca -0.04 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1iou h THR 127 Cb 0.44 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1iou h THR 127 CO 0.07 0.00 -0.15 1.88 0.37 0.00 0.00 175.52 177.70 1iou h TYR 128 N 0.00 -0.38 -0.06 3.16 -1.99 -0.38 -2.41 116.97 114.91 1iou h TYR 128 Ca 0.08 -0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.82 1iou h TYR 128 Cb 0.37 0.12 -0.00 0.00 2.00 0.00 0.00 36.73 39.22 1iou h TYR 128 CO 0.00 -0.03 0.07 0.97 -0.00 0.00 0.00 178.16 179.17 1iou h ILE 129 N -0.87 0.44 -0.01 -2.88 -0.00 -1.02 0.99 117.51 114.16 1iou h ILE 129 Ca -0.04 0.00 -0.11 0.00 -0.00 0.00 0.00 64.86 64.71 1iou h ILE 129 Cb 0.52 0.94 0.01 0.00 -0.00 0.00 0.00 36.82 38.29 1iou h ILE 129 CO 0.07 0.00 -0.42 -1.28 -0.00 0.00 0.00 178.15 176.52 1iou h SER 130 N 0.00 0.39 1.13 2.19 0.87 -1.29 -3.29 113.55 113.56 1iou h SER 130 Ca 0.03 -0.75 -0.14 0.00 -1.23 0.00 0.00 61.79 59.70 1iou h SER 130 Cb 0.17 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 1iou h SER 130 CO -0.00 1.08 -0.91 0.11 -0.53 0.00 0.00 176.83 176.58 1iou h LYS 131 N -0.26 0.00 0.00 2.24 6.56 -0.88 -3.26 116.57 120.97 1iou h LYS 131 Ca -0.05 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.54 1iou h LYS 131 Cb 1.14 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.80 1iou h LYS 131 CO 0.08 0.48 0.00 0.66 -2.06 0.00 0.00 179.45 178.61 1iou n TYR 132 N -3.11 0.51 -0.40 -1.35 4.01 0.34 -3.65 117.16 113.50 1iou n TYR 132 Ca -0.03 0.23 0.32 0.00 -0.16 0.00 0.00 57.90 58.26 1iou n TYR 132 Cb 0.80 -0.88 0.51 0.00 -0.31 0.00 0.00 39.34 39.46 1iou n TYR 132 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1iou n GLN 133 N -2.00 -0.01 -1.45 -0.72 6.02 -1.23 -4.39 117.38 113.60 1iou n GLN 133 Ca 0.01 0.78 -0.30 0.00 -0.01 0.00 0.00 57.00 57.47 1iou n GLN 133 Cb 0.11 -1.66 0.09 0.00 1.02 0.00 0.00 30.24 29.80 1iou n GLN 133 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1iou s ASP 134 N -4.12 4.57 0.58 1.08 1.01 -1.24 -3.47 116.67 115.08 1iou s ASP 134 Ca -0.04 1.51 0.28 0.00 0.71 0.00 0.00 52.55 55.02 1iou s ASP 134 Cb 0.19 -2.28 1.51 0.00 1.01 0.00 0.00 42.92 43.36 1iou s ASP 134 CO 0.57 -1.94 1.95 1.55 0.21 0.00 0.00 175.17 177.51 1iou h PRO 135 N -1.07 0.00 0.00 8.23 0.13 -1.77 -3.39 132.00 134.13 1iou h PRO 135 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1iou h PRO 135 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1iou h PRO 135 CO 0.56 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.76 1iou n SER 136 N -3.83 -1.40 0.00 1.44 7.64 -1.26 -3.35 113.62 112.86 1iou n SER 136 Ca 0.07 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.38 1iou n SER 136 Cb 0.59 1.47 0.00 0.00 -1.01 0.00 0.00 64.21 65.26 1iou n SER 136 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1iou n GLN 137 N -3.07 0.00 -3.00 1.43 7.27 -1.26 -4.14 117.38 114.61 1iou n GLN 137 Ca 0.00 0.00 -0.22 0.00 0.07 0.00 0.00 57.00 56.85 1iou n GLN 137 Cb 0.00 -1.00 0.03 0.00 2.41 0.00 0.00 30.24 31.69 1iou n GLN 137 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1iou n ALA 138 N -0.27 -0.96 -2.61 1.69 0.00 -1.26 -1.32 120.51 115.78 1iou n ALA 138 Ca 0.00 0.27 -0.21 0.00 0.00 0.00 0.00 53.44 53.49 1iou n ALA 138 Cb 0.00 -3.72 0.01 0.00 0.00 0.00 0.00 19.45 15.74 1iou n ALA 138 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1iou n ASP 139 N -2.48 -6.02 -0.06 0.00 2.03 -1.26 -5.25 116.55 103.51 1iou n ASP 139 Ca -0.12 -0.11 0.16 0.00 0.52 0.00 0.00 54.79 55.24 1iou n ASP 139 Cb 0.62 -4.96 0.90 0.00 -0.72 0.00 0.00 41.12 36.96 1iou n ASP 139 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28