#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 0.34 0.59 2.12 0.52 -1.26 -4.88 118.95 116.38 1iou s ARG 2 Ca 0.00 0.07 -0.19 0.00 -0.52 0.00 0.00 55.73 55.09 1iou s ARG 2 Cb 0.00 0.16 -0.04 0.00 0.52 0.00 0.00 34.95 35.59 1iou s ARG 2 CO 0.00 -0.11 1.22 -1.50 0.02 0.00 0.00 175.30 174.93 1iou s ILE 3 N -1.15 2.58 0.02 1.52 2.07 -1.24 -2.65 121.20 122.36 1iou s ILE 3 Ca 0.04 0.37 -0.02 0.00 -1.41 0.00 0.00 60.65 59.63 1iou s ILE 3 Cb -0.01 -3.15 -0.01 0.00 0.13 0.00 0.00 42.46 39.42 1iou s ILE 3 CO -0.03 -0.07 -0.04 -1.22 -1.91 0.00 0.00 174.94 171.67 1iou n TYR 4 N -1.53 0.00 -4.32 3.50 4.01 -0.89 -4.79 117.16 113.14 1iou n TYR 4 Ca 0.13 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.67 1iou n TYR 4 Cb 0.49 -0.08 -0.11 0.00 -0.31 0.00 0.00 39.34 39.33 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 -2.09 1.70 0.22 -0.72 6.14 0.15 0.18 117.35 122.93 1iou s TYR 5 Ca -0.04 -0.52 -0.19 0.00 0.64 0.00 0.00 57.07 56.96 1iou s TYR 5 Cb 0.01 -0.84 0.03 0.00 0.42 0.00 0.00 41.96 41.58 1iou s TYR 5 CO 0.05 0.30 0.59 0.42 0.64 0.00 0.00 175.55 177.55 1iou s ILE 6 N -2.36 0.01 -5.00 3.14 1.01 -0.37 0.64 121.20 118.27 1iou s ILE 6 Ca 0.16 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 60.01 1iou s ILE 6 Cb -0.04 -1.69 0.00 0.00 0.01 0.00 0.00 42.46 40.74 1iou s ILE 6 CO 0.06 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.55 1iou n GLY 7 N -0.38 -0.18 3.31 6.18 0.00 0.02 -1.22 105.19 112.92 1iou n GLY 7 Ca -0.08 -1.41 -0.16 0.00 0.00 0.00 0.00 46.02 44.36 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 -2.88 1.14 -0.21 1.61 1.01 -0.70 -0.98 120.40 119.39 1iou s VAL 8 Ca 0.00 -2.06 -0.05 0.00 0.00 0.00 0.00 61.98 59.87 1iou s VAL 8 Cb 0.00 -2.16 0.10 0.00 0.00 0.00 0.00 36.38 34.32 1iou s VAL 8 CO 0.00 -0.49 0.39 -0.36 0.00 0.00 0.00 175.10 174.65 1iou s PHE 9 N -3.35 -0.78 -0.49 5.22 0.40 0.41 -1.84 117.98 117.54 1iou s PHE 9 Ca 0.24 1.26 -0.21 0.00 -0.60 0.00 0.00 56.93 57.62 1iou s PHE 9 Cb 0.04 0.19 0.04 0.00 0.51 0.00 0.00 43.02 43.80 1iou s PHE 9 CO 0.06 -0.55 0.72 -0.98 0.70 0.00 0.00 175.22 175.17 1iou s ARG 10 N 2.58 3.24 -0.34 0.44 1.70 -1.21 -1.36 118.95 124.00 1iou s ARG 10 Ca 0.03 -0.52 -0.38 0.00 -0.47 0.00 0.00 55.73 54.40 1iou s ARG 10 Cb -0.13 -4.03 -0.13 0.00 -0.57 0.00 0.00 34.95 30.08 1iou s ARG 10 CO -0.13 -1.21 2.06 -1.13 -1.08 0.00 0.00 175.30 173.80 1iou n SER 11 N 6.55 2.07 -3.12 -2.89 3.41 -1.24 -2.56 113.62 115.85 1iou n SER 11 Ca -0.02 0.64 0.03 0.00 -0.26 0.00 0.00 58.87 59.26 1iou n SER 11 Cb 0.47 -1.19 -0.00 0.00 -0.26 0.00 0.00 64.21 63.23 1iou n SER 11 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1iou s GLY 12 N 6.03 -1.26 0.00 5.00 0.00 -1.22 -4.81 107.32 111.06 1iou s GLY 12 Ca 1.07 0.94 0.00 0.00 0.00 0.00 0.00 44.72 46.74 1iou s GLY 12 CO 0.56 3.83 0.00 0.61 0.00 0.00 0.00 173.10 178.10 1iou n GLY 13 N 4.76 0.25 0.34 0.20 0.00 -1.26 -4.58 105.19 104.90 1iou n GLY 13 Ca 0.08 -2.28 0.17 0.00 0.00 0.00 0.00 46.02 43.99 1iou n GLY 13 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1iou h GLU 14 N 3.84 0.00 0.00 1.61 4.57 -2.02 -3.44 114.58 119.14 1iou h GLU 14 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1iou h GLU 14 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1iou h GLU 14 CO 0.00 0.00 0.00 0.36 -1.18 0.00 0.00 179.01 178.19 1iou n LYS 15 N -3.96 0.00 -2.88 1.92 0.00 -1.26 -5.03 118.16 106.95 1iou n LYS 15 Ca 0.03 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 58.01 1iou n LYS 15 Cb 0.39 0.00 -0.07 0.00 -0.00 0.00 0.00 35.03 35.35 1iou n LYS 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1iou s ALA 16 N -1.81 3.10 0.25 0.58 0.00 -1.09 -3.43 121.76 119.35 1iou s ALA 16 Ca 0.00 0.33 -0.14 0.00 0.00 0.00 0.00 51.96 52.16 1iou s ALA 16 Cb 0.00 -3.08 -0.08 0.00 0.00 0.00 0.00 23.12 19.96 1iou s ALA 16 CO 0.00 0.17 0.65 -1.17 0.00 0.00 0.00 175.76 175.41 1iou s LEU 17 N -3.13 4.17 -1.13 0.00 0.20 -1.06 -4.86 118.68 112.87 1iou s LEU 17 Ca 0.60 1.15 -0.20 0.00 0.69 0.00 0.00 54.13 56.38 1iou s LEU 17 Cb -0.09 -3.78 -0.05 0.00 -0.43 0.00 0.00 46.19 41.84 1iou s LEU 17 CO 0.14 -0.09 1.95 1.21 -0.29 0.00 0.00 176.35 179.27 1iou n GLU 18 N 0.01 2.16 0.00 1.98 2.13 -1.26 -3.35 120.64 122.31 1iou n GLU 18 Ca 0.01 -2.46 0.00 0.00 0.66 0.00 0.00 57.16 55.36 1iou n GLU 18 Cb 0.52 -3.33 0.00 0.00 0.27 0.00 0.00 31.44 28.90 1iou n GLU 18 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1iou n LEU 19 N 9.20 0.00 -4.37 4.31 7.94 -0.87 -4.70 117.00 128.51 1iou n LEU 19 Ca 0.49 0.37 -0.33 0.00 -1.11 0.00 0.00 56.01 55.43 1iou n LEU 19 Cb 0.43 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.23 1iou n LEU 19 CO 0.86 0.00 -0.47 -0.55 -1.11 0.00 0.00 177.39 176.12 1iou s SER 20 N -2.02 3.87 -0.22 1.96 0.15 -0.77 -0.17 113.70 116.50 1iou s SER 20 Ca 0.00 -0.33 0.01 0.00 0.70 0.00 0.00 55.95 56.33 1iou s SER 20 Cb 0.00 -1.36 0.05 0.00 -1.71 0.00 0.00 66.02 63.00 1iou s SER 20 CO 0.00 0.21 -0.08 -0.70 1.20 0.00 0.00 173.24 173.87 1iou s GLU 21 N 0.06 1.86 0.01 5.44 2.12 -1.26 -1.72 118.70 125.22 1iou s GLU 21 Ca -0.06 -0.94 0.04 0.00 0.36 0.00 0.00 54.97 54.36 1iou s GLU 21 Cb -0.15 -2.52 -0.01 0.00 0.26 0.00 0.00 34.13 31.71 1iou s GLU 21 CO 0.05 -0.51 -0.11 0.54 -0.54 0.00 0.00 175.26 174.68 1iou s VAL 22 N 1.37 0.90 0.15 3.70 0.11 -0.36 -4.98 120.40 121.29 1iou s VAL 22 Ca -0.04 -0.70 -0.01 0.00 -2.93 0.00 0.00 61.98 58.31 1iou s VAL 22 Cb -0.18 -0.79 -0.04 0.00 -1.53 0.00 0.00 36.38 33.84 1iou s VAL 22 CO -0.07 0.09 0.06 -0.54 -3.33 0.00 0.00 175.10 171.32 1iou s LYS 23 N -0.68 1.02 -0.25 1.54 3.01 -1.26 -1.24 119.74 121.88 1iou s LYS 23 Ca 0.02 -1.50 -0.00 0.00 -1.01 0.00 0.00 55.97 53.47 1iou s LYS 23 Cb -0.06 0.15 0.07 0.00 -1.01 0.00 0.00 37.83 36.99 1iou s LYS 23 CO 0.00 -0.27 0.02 0.34 0.51 0.00 0.00 175.35 175.95 1iou s ASP 24 N -3.10 3.67 -0.99 2.83 -1.08 0.47 -4.95 116.67 113.54 1iou s ASP 24 Ca 0.27 -1.24 -0.02 0.00 -0.52 0.00 0.00 52.55 51.04 1iou s ASP 24 Cb 0.07 -0.96 0.30 0.00 -1.46 0.00 0.00 42.92 40.87 1iou s ASP 24 CO 0.04 -0.31 1.38 0.18 0.52 0.00 0.00 175.17 176.98 1iou n LEU 25 N 4.80 6.02 0.00 -1.34 7.99 -1.26 -4.78 117.00 128.42 1iou n LEU 25 Ca -0.08 -5.28 0.00 0.00 -0.01 0.00 0.00 56.01 50.64 1iou n LEU 25 Cb 0.44 -1.14 0.00 0.00 -0.11 0.00 0.00 43.42 42.61 1iou n LEU 25 CO 0.15 1.80 0.11 -1.54 -1.51 0.00 0.00 177.39 176.40 1iou n SER 26 N 1.08 0.00 0.12 -1.43 3.41 -1.26 -4.38 113.62 111.15 1iou n SER 26 Ca 0.28 0.36 0.13 0.00 -0.26 0.00 0.00 58.87 59.38 1iou n SER 26 Cb 0.34 -0.21 0.29 0.00 -0.26 0.00 0.00 64.21 64.38 1iou n SER 26 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1iou h GLN 27 N 0.00 0.00 -6.25 4.33 4.20 -2.02 -3.45 115.11 111.92 1iou h GLN 27 Ca 0.00 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.14 1iou h GLN 27 Cb 0.00 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1iou h GLN 27 CO 0.00 0.00 1.22 -0.06 -0.67 0.00 0.00 178.83 179.32 1iou s PHE 28 N -3.15 1.83 0.80 2.96 0.40 -1.26 -4.98 117.98 114.58 1iou s PHE 28 Ca 0.09 0.44 -0.11 0.00 -0.60 0.00 0.00 56.93 56.75 1iou s PHE 28 Cb 0.11 -4.03 0.17 0.00 0.51 0.00 0.00 43.02 39.78 1iou s PHE 28 CO 0.65 -3.41 0.39 0.41 0.70 0.00 0.00 175.22 173.95 1iou n GLY 29 N 4.93 -2.38 0.20 4.36 0.00 -1.26 -3.79 105.19 107.25 1iou n GLY 29 Ca 0.21 -0.77 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 1iou n GLY 29 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1iou h PHE 30 N -2.63 0.66 0.00 1.61 0.04 -1.98 0.96 116.94 115.60 1iou h PHE 30 Ca -0.18 -0.08 -0.22 0.00 2.80 0.00 0.00 57.97 60.29 1iou h PHE 30 Cb 0.59 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.52 1iou h PHE 30 CO 0.00 0.64 -1.18 0.74 -0.60 0.00 0.00 178.31 177.91 1iou h PHE 31 N 0.49 0.00 0.07 -0.55 0.04 -2.02 -3.32 116.94 111.65 1iou h PHE 31 Ca 0.12 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.67 1iou h PHE 31 Cb 0.32 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.49 1iou h PHE 31 CO 0.02 0.95 -0.92 0.93 -0.60 0.00 0.00 178.31 178.69 1iou h GLU 32 N 0.00 0.49 -0.80 1.51 3.07 -1.84 -3.13 114.58 113.88 1iou h GLU 32 Ca -0.09 -0.63 0.21 0.00 -0.50 0.00 0.00 59.36 58.35 1iou h GLU 32 Cb 1.80 0.20 -0.04 0.00 -0.84 0.00 0.00 28.75 29.87 1iou h GLU 32 CO 0.11 1.25 0.56 0.07 -1.40 0.00 0.00 179.01 179.60 1iou h ARG 33 N 0.02 0.15 0.08 2.33 -0.00 0.87 0.20 114.38 118.03 1iou h ARG 33 Ca -0.14 -0.01 -0.00 0.00 -0.00 0.00 0.00 59.98 59.83 1iou h ARG 33 Cb 1.64 -0.03 0.00 0.00 -0.00 0.00 0.00 29.97 31.57 1iou h ARG 33 CO 0.18 0.10 -0.04 1.03 -0.00 0.00 0.00 179.97 181.23 1iou h SER 34 N 0.15 -0.10 -0.36 0.08 0.87 -1.66 -1.84 113.55 110.70 1iou h SER 34 Ca 0.39 -0.50 0.04 0.00 -1.23 0.00 0.00 61.79 60.49 1iou h SER 34 Cb 1.32 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 63.26 1iou h SER 34 CO -0.06 0.55 0.12 0.77 -0.53 0.00 0.00 176.83 177.68 1iou h SER 35 N -0.85 0.12 -0.71 6.23 4.64 -1.25 -2.05 113.55 119.68 1iou h SER 35 Ca -0.01 0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.32 1iou h SER 35 Cb 0.59 0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.68 1iou h SER 35 CO 0.02 0.10 0.33 0.58 -0.87 0.00 0.00 176.83 177.00 1iou h VAL 36 N 0.26 1.24 -0.59 0.95 2.07 -0.75 -1.95 116.25 117.49 1iou h VAL 36 Ca 0.16 -0.68 0.12 0.00 0.82 0.00 0.00 66.70 67.12 1iou h VAL 36 Cb 0.15 0.36 -0.09 0.00 -1.52 0.00 0.00 31.29 30.19 1iou h VAL 36 CO -0.18 0.28 0.06 1.23 0.02 0.00 0.00 177.57 178.99 1iou h GLY 37 N 1.00 0.69 1.66 2.17 0.00 -0.64 0.88 103.07 108.82 1iou h GLY 37 Ca 0.24 0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.54 1iou h GLY 37 CO -0.03 -0.15 -0.11 -1.61 0.00 0.00 0.00 176.54 174.64 1iou h GLN 38 N 0.18 0.42 -0.27 4.80 5.75 -1.11 -2.13 115.11 122.75 1iou h GLN 38 Ca 0.31 -0.11 -0.13 0.00 -0.15 0.00 0.00 58.65 58.57 1iou h GLN 38 Cb 0.48 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.97 1iou h GLN 38 CO -0.45 0.53 -0.37 0.35 -2.65 0.00 0.00 178.83 176.25 1iou h PHE 39 N 0.39 0.71 0.82 3.99 3.57 0.40 -1.43 116.94 125.40 1iou h PHE 39 Ca 0.08 -0.20 -0.04 0.00 3.53 0.00 0.00 57.97 61.34 1iou h PHE 39 Cb 0.43 -0.16 0.01 0.00 2.79 0.00 0.00 35.95 39.03 1iou h PHE 39 CO 0.01 0.88 -0.40 0.52 -2.23 0.00 0.00 178.31 177.10 1iou h MET 40 N 0.50 -1.07 0.04 1.11 2.86 0.12 -2.27 114.93 116.22 1iou h MET 40 Ca 0.05 0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.77 1iou h MET 40 Cb 0.87 0.24 -0.01 0.00 0.06 0.00 0.00 31.60 32.76 1iou h MET 40 CO 0.07 -0.70 -0.06 1.15 1.06 0.00 0.00 176.91 178.43 1iou h THR 41 N -1.24 0.85 -0.92 2.22 2.02 -1.48 -0.52 112.91 113.84 1iou h THR 41 Ca -0.11 0.00 0.26 0.00 0.77 0.00 0.00 66.41 67.33 1iou h THR 41 Cb 0.86 0.85 -0.14 0.00 -1.74 0.00 0.00 68.15 67.97 1iou h THR 41 CO 0.19 0.00 0.34 0.15 0.37 0.00 0.00 175.52 176.56 1iou h PHE 42 N -0.13 0.53 -0.02 3.16 3.04 -1.29 1.17 116.94 123.40 1iou h PHE 42 Ca 0.01 0.05 -0.15 0.00 3.98 0.00 0.00 57.97 61.86 1iou h PHE 42 Cb 0.14 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.55 1iou h PHE 42 CO -0.11 -0.20 -0.70 0.35 -2.02 0.00 0.00 178.31 175.63 1iou h PHE 43 N 0.25 0.14 -0.03 0.41 3.57 -0.86 -2.36 116.94 118.06 1iou h PHE 43 Ca 0.61 -0.06 -0.20 0.00 3.53 0.00 0.00 57.97 61.84 1iou h PHE 43 Cb 1.28 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.99 1iou h PHE 43 CO -0.19 0.76 -0.83 0.00 -2.23 0.00 0.00 178.31 175.82 1iou h ALA 44 N 1.22 0.51 -0.24 2.41 0.00 0.25 -2.50 119.26 120.91 1iou h ALA 44 Ca -0.01 -0.67 -0.18 0.00 0.00 0.00 0.00 54.91 54.05 1iou h ALA 44 Cb 1.23 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1iou h ALA 44 CO 0.10 0.82 -0.55 1.05 0.00 0.00 0.00 179.25 180.66 1iou h GLU 45 N 0.21 0.75 -0.11 0.00 4.11 0.82 -2.71 114.58 117.65 1iou h GLU 45 Ca -0.05 -0.48 -0.00 0.00 0.07 0.00 0.00 59.36 58.90 1iou h GLU 45 Cb 1.44 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.74 1iou h GLU 45 CO 0.14 1.10 0.06 1.15 0.07 0.00 0.00 179.01 181.53 1iou h THR 46 N 0.57 1.08 0.17 -1.06 2.02 -1.41 -0.73 112.91 113.55 1iou h THR 46 Ca 0.01 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1iou h THR 46 Cb 1.14 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 68.54 1iou h THR 46 CO 0.12 0.07 -0.41 -0.37 0.37 0.00 0.00 175.52 175.30 1iou h VAL 47 N 0.10 0.00 -0.78 3.16 -1.51 -1.39 1.26 116.25 117.08 1iou h VAL 47 Ca 0.04 0.00 0.23 0.00 -1.23 0.00 0.00 66.70 65.74 1iou h VAL 47 Cb 0.06 0.00 -0.03 0.00 -2.13 0.00 0.00 31.29 29.19 1iou h VAL 47 CO -0.01 0.00 0.58 0.00 -1.23 0.00 0.00 177.57 176.91 1iou h ALA 48 N -0.86 2.71 -0.10 5.19 0.00 -1.44 1.93 119.26 126.69 1iou h ALA 48 Ca -0.02 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.66 1iou h ALA 48 Cb 0.61 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.47 1iou h ALA 48 CO -0.18 -0.98 -0.73 1.03 0.00 0.00 0.00 179.25 178.39 1iou h SER 49 N 0.00 0.82 0.62 0.00 0.87 0.80 -3.25 113.55 113.41 1iou h SER 49 Ca 0.37 -0.66 -0.23 0.00 -1.23 0.00 0.00 61.79 60.04 1iou h SER 49 Cb 1.53 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 63.23 1iou h SER 49 CO -0.00 1.36 -1.01 0.08 -0.53 0.00 0.00 176.83 176.72 1iou h ARG 50 N 0.35 0.22 -6.20 2.24 0.11 0.60 -3.42 114.38 108.28 1iou h ARG 50 Ca -0.06 -0.29 -0.55 0.00 0.10 0.00 0.00 59.98 59.18 1iou h ARG 50 Cb 1.38 0.10 -0.03 0.00 1.11 0.00 0.00 29.97 32.52 1iou h ARG 50 CO 0.15 1.06 1.28 0.99 0.10 0.00 0.00 179.97 183.55 1iou s THR 51 N -2.98 3.48 0.00 0.08 2.01 0.61 -4.85 115.64 113.98 1iou s THR 51 Ca -0.03 0.44 0.00 0.00 0.31 0.00 0.00 61.69 62.41 1iou s THR 51 Cb 0.09 -3.78 0.00 0.00 0.01 0.00 0.00 72.50 68.82 1iou s THR 51 CO 0.85 -0.59 1.64 0.61 -0.69 0.00 0.00 174.62 176.44 1iou n GLY 52 N 5.48 2.24 1.70 4.40 0.00 -1.26 -4.83 105.19 112.91 1iou n GLY 52 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 1.30 -1.98 -0.96 4.61 0.00 -1.26 -4.73 120.51 117.50 1iou n ALA 53 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1iou n ALA 53 Cb 0.46 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 -1.30 0.61 2.95 0.00 0.00 -1.18 -4.98 105.19 101.30 1iou n GLY 54 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1iou n GLY 54 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iou s GLU 55 N -0.27 0.24 0.15 1.61 0.41 -1.26 -4.97 118.70 114.62 1iou s GLU 55 Ca 0.00 -0.35 -0.07 0.00 -0.41 0.00 0.00 54.97 54.15 1iou s GLU 55 Cb 0.00 -0.05 -0.06 0.00 -1.78 0.00 0.00 34.13 32.24 1iou s GLU 55 CO 0.00 0.00 0.42 1.03 -0.49 0.00 0.00 175.26 176.22 1iou s ARG 56 N -0.75 3.69 -0.05 1.61 0.52 -1.26 -3.43 118.95 119.27 1iou s ARG 56 Ca -0.07 0.04 0.02 0.00 -0.52 0.00 0.00 55.73 55.20 1iou s ARG 56 Cb -0.05 -2.83 0.01 0.00 0.52 0.00 0.00 34.95 32.60 1iou s ARG 56 CO -0.00 0.45 -0.09 -0.65 0.02 0.00 0.00 175.30 175.03 1iou s GLN 57 N -2.55 1.18 -0.31 3.54 1.11 -0.74 -4.92 119.66 116.97 1iou s GLN 57 Ca 0.41 -0.27 0.03 0.00 0.01 0.00 0.00 55.36 55.53 1iou s GLN 57 Cb -0.12 -1.06 0.09 0.00 -1.01 0.00 0.00 33.01 30.91 1iou s GLN 57 CO 0.23 0.01 0.03 0.45 0.01 0.00 0.00 175.29 176.02 1iou s SER 58 N 0.62 4.48 -0.52 5.90 0.15 -1.25 0.24 113.70 123.32 1iou s SER 58 Ca -0.11 -1.86 -0.23 0.00 0.70 0.00 0.00 55.95 54.45 1iou s SER 58 Cb -0.13 -1.42 0.04 0.00 -1.71 0.00 0.00 66.02 62.80 1iou s SER 58 CO 0.02 -0.35 0.84 0.27 1.20 0.00 0.00 173.24 175.21 1iou s ILE 59 N 1.12 4.55 -0.43 6.45 -4.36 -0.57 -4.79 121.20 123.17 1iou s ILE 59 Ca 0.07 0.14 -0.17 0.00 -0.26 0.00 0.00 60.65 60.42 1iou s ILE 59 Cb -0.19 -4.44 0.03 0.00 1.25 0.00 0.00 42.46 39.12 1iou s ILE 59 CO -0.11 -0.96 0.45 -1.83 0.24 0.00 0.00 174.94 172.73 1iou s GLU 60 N 3.51 3.08 0.45 0.37 1.03 -1.26 0.24 118.70 126.11 1iou s GLU 60 Ca 0.27 -0.85 0.06 0.00 0.03 0.00 0.00 54.97 54.48 1iou s GLU 60 Cb -0.14 -4.00 -0.04 0.00 -0.80 0.00 0.00 34.13 29.15 1iou s GLU 60 CO 0.18 -0.90 0.16 -1.21 -1.33 0.00 0.00 175.26 172.16 1iou s GLU 61 N 2.11 2.19 -0.60 -4.83 0.41 -0.20 -5.00 118.70 112.79 1iou s GLU 61 Ca 0.11 -1.99 -0.05 0.00 -0.41 0.00 0.00 54.97 52.63 1iou s GLU 61 Cb -0.18 -1.89 -0.11 0.00 -1.78 0.00 0.00 34.13 30.17 1iou s GLU 61 CO 0.13 -0.22 2.43 0.41 -0.49 0.00 0.00 175.26 177.52 1iou n GLY 62 N -1.28 2.91 0.37 -1.39 0.00 -1.26 -2.94 105.19 101.59 1iou n GLY 62 Ca -0.04 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1iou n GLY 62 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1iou n ASN 63 N 3.43 0.00 -2.65 1.61 4.05 -1.26 -5.17 115.26 115.27 1iou n ASN 63 Ca 0.42 0.00 -0.03 0.00 0.45 0.00 0.00 54.58 55.42 1iou n ASN 63 Cb 0.36 0.09 0.02 0.00 1.23 0.00 0.00 39.78 41.48 1iou n ASN 63 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1iou n TYR 64 N -1.59 -1.27 -4.16 1.20 4.11 -1.15 -4.76 117.16 109.55 1iou n TYR 64 Ca 0.00 -1.00 -0.23 0.00 -0.00 0.00 0.00 57.90 56.67 1iou n TYR 64 Cb 0.00 0.49 -0.05 0.00 -0.00 0.00 0.00 39.34 39.78 1iou n TYR 64 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.86 177.28 1iou s ILE 65 N -2.21 4.20 -0.46 -3.48 1.01 0.55 -1.03 121.20 119.78 1iou s ILE 65 Ca 0.16 -1.48 0.04 0.00 0.00 0.00 0.00 60.65 59.37 1iou s ILE 65 Cb -0.02 -3.25 0.16 0.00 0.01 0.00 0.00 42.46 39.36 1iou s ILE 65 CO 0.05 -0.32 0.34 -0.83 0.00 0.00 0.00 174.94 174.18 1iou s GLY 66 N -3.69 1.52 0.87 6.18 0.00 0.14 -0.02 107.32 112.32 1iou s GLY 66 Ca 0.32 -2.65 -0.11 0.00 0.00 0.00 0.00 44.72 42.28 1iou s GLY 66 CO 0.23 1.88 1.17 1.42 0.00 0.00 0.00 173.10 177.80 1iou n HIS 67 N 2.88 1.03 -3.72 1.90 8.25 0.56 -1.51 115.22 124.61 1iou n HIS 67 Ca 0.24 0.40 -0.14 0.00 -0.26 0.00 0.00 57.72 57.97 1iou n HIS 67 Cb 0.43 -2.04 -0.09 0.00 1.12 0.00 0.00 29.99 29.41 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 -2.43 0.02 -0.18 1.59 1.01 0.66 -1.09 120.40 119.98 1iou s VAL 68 Ca 0.70 -0.16 -0.04 0.00 0.00 0.00 0.00 61.98 62.48 1iou s VAL 68 Cb -0.26 -0.65 0.09 0.00 0.00 0.00 0.00 36.38 35.56 1iou s VAL 68 CO 0.55 -0.09 0.22 -0.31 0.00 0.00 0.00 175.10 175.48 1iou s TYR 69 N -0.43 -0.29 -0.04 5.22 1.51 -0.96 -1.79 117.35 120.57 1iou s TYR 69 Ca -0.06 0.34 -0.00 0.00 -1.01 0.00 0.00 57.07 56.34 1iou s TYR 69 Cb -0.03 -0.31 -0.03 0.00 -0.11 0.00 0.00 41.96 41.47 1iou s TYR 69 CO 0.03 -0.55 0.00 0.00 -1.11 0.00 0.00 175.55 173.92 1iou s ALA 70 N 2.34 3.28 0.44 3.71 0.00 -1.22 -2.25 121.76 128.06 1iou s ALA 70 Ca 0.06 -0.88 0.04 0.00 0.00 0.00 0.00 51.96 51.18 1iou s ALA 70 Cb -0.15 -1.41 0.01 0.00 0.00 0.00 0.00 23.12 21.57 1iou s ALA 70 CO -0.11 0.62 0.62 0.50 0.00 0.00 0.00 175.76 177.39 1iou s ARG 71 N -1.23 2.92 0.49 0.00 6.06 -1.26 -3.12 118.95 122.82 1iou s ARG 71 Ca 0.17 -0.83 0.28 0.00 -2.50 0.00 0.00 55.73 52.85 1iou s ARG 71 Cb -0.11 -2.65 1.17 0.00 0.06 0.00 0.00 34.95 33.41 1iou s ARG 71 CO 0.06 -0.28 1.92 0.66 -2.50 0.00 0.00 175.30 175.17 1iou h SER 72 N 0.50 0.00 0.00 -2.12 4.64 -1.94 -3.27 113.55 111.36 1iou h SER 72 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1iou h SER 72 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1iou h SER 72 CO 0.53 0.13 0.00 -0.62 -0.87 0.00 0.00 176.83 176.00 1iou n GLU 73 N -3.31 0.00 0.00 4.77 -0.58 -1.26 -4.95 120.64 115.30 1iou n GLU 73 Ca -0.00 0.55 0.00 0.00 -0.42 0.00 0.00 57.16 57.29 1iou n GLU 73 Cb 0.36 -1.43 0.00 0.00 -0.57 0.00 0.00 31.44 29.79 1iou n GLU 73 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1iou n GLY 74 N -0.95 0.04 3.31 0.62 0.00 -1.25 -4.79 105.19 102.17 1iou n GLY 74 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1iou n GLY 74 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1iou s ILE 75 N 0.00 4.14 0.44 -0.61 -1.16 -1.26 -3.64 121.20 119.11 1iou s ILE 75 Ca 0.00 -1.09 0.06 0.00 -0.51 0.00 0.00 60.65 59.11 1iou s ILE 75 Cb 0.00 -3.37 0.01 0.00 0.61 0.00 0.00 42.46 39.71 1iou s ILE 75 CO 0.00 -0.26 0.60 0.00 -2.81 0.00 0.00 174.94 172.47 1iou s GLY 77 N -4.34 1.28 0.07 0.00 0.00 -0.95 0.15 107.32 103.53 1iou s GLY 77 Ca 0.54 -1.30 0.08 0.00 0.00 0.00 0.00 44.72 44.05 1iou s GLY 77 CO 0.34 -1.31 -0.22 0.14 0.00 0.00 0.00 173.10 172.05 1iou s VAL 78 N -1.32 1.79 -0.06 1.40 1.01 -0.16 -2.27 120.40 120.78 1iou s VAL 78 Ca 0.08 -1.40 -0.01 0.00 0.00 0.00 0.00 61.98 60.65 1iou s VAL 78 Cb -0.09 -1.58 0.03 0.00 0.00 0.00 0.00 36.38 34.73 1iou s VAL 78 CO 0.05 0.11 -0.02 -0.76 0.00 0.00 0.00 175.10 174.48 1iou s LEU 79 N -1.55 0.86 -0.22 3.92 1.02 -0.25 -0.80 118.68 121.66 1iou s LEU 79 Ca 0.08 -0.11 -0.00 0.00 0.02 0.00 0.00 54.13 54.12 1iou s LEU 79 Cb -0.09 -0.46 0.02 0.00 0.02 0.00 0.00 46.19 45.68 1iou s LEU 79 CO 0.03 -0.15 -0.12 0.27 0.02 0.00 0.00 176.35 176.41 1iou s ILE 80 N 1.62 2.57 0.30 -0.59 -4.36 0.21 0.21 121.20 121.15 1iou s ILE 80 Ca -0.00 -0.97 0.04 0.00 -0.26 0.00 0.00 60.65 59.45 1iou s ILE 80 Cb -0.13 -2.22 -0.04 0.00 1.25 0.00 0.00 42.46 41.32 1iou s ILE 80 CO -0.04 0.34 0.19 0.28 0.24 0.00 0.00 174.94 175.95 1iou s THR 81 N 1.31 0.19 0.90 8.37 -1.32 0.98 -0.68 115.64 125.39 1iou s THR 81 Ca 0.02 -2.00 -0.12 0.00 -1.21 0.00 0.00 61.69 58.38 1iou s THR 81 Cb -0.15 -2.50 0.13 0.00 -1.51 0.00 0.00 72.50 68.47 1iou s THR 81 CO -0.08 0.00 1.11 -0.62 -2.21 0.00 0.00 174.62 172.82 1iou s ASP 82 N -3.35 3.57 0.55 8.08 -1.08 -1.08 0.20 116.67 123.56 1iou s ASP 82 Ca 0.37 1.22 0.37 0.00 -0.52 0.00 0.00 52.55 53.99 1iou s ASP 82 Cb 0.04 -1.88 1.91 0.00 -1.46 0.00 0.00 42.92 41.53 1iou s ASP 82 CO 0.19 -2.54 2.12 0.50 0.52 0.00 0.00 175.17 175.96 1iou h LYS 83 N -1.48 0.00 -0.99 4.34 3.64 -1.87 -1.66 116.57 118.54 1iou h LYS 83 Ca -0.50 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 58.67 1iou h LYS 83 Cb 1.30 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 33.00 1iou h LYS 83 CO 0.59 0.00 0.26 1.04 -2.27 0.00 0.00 179.45 179.07 1iou n GLN 84 N -2.85 1.58 -3.49 1.90 3.00 -1.26 -4.47 117.38 111.79 1iou n GLN 84 Ca -0.02 -1.27 -0.28 0.00 -0.01 0.00 0.00 57.00 55.42 1iou n GLN 84 Cb 0.11 -1.51 -0.11 0.00 0.00 0.00 0.00 30.24 28.72 1iou n GLN 84 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.06 176.59 1iou s TYR 85 N -1.41 1.26 0.60 1.08 6.14 -0.63 -4.79 117.35 119.62 1iou s TYR 85 Ca 0.24 -2.18 -0.18 0.00 0.64 0.00 0.00 57.07 55.59 1iou s TYR 85 Cb 0.20 -1.16 -0.10 0.00 0.42 0.00 0.00 41.96 41.32 1iou s TYR 85 CO 0.05 -0.80 0.24 -0.35 0.64 0.00 0.00 175.55 175.32 1iou n PRO 86 N 3.25 0.27 0.23 4.97 -0.04 -1.26 -4.86 135.00 137.56 1iou n PRO 86 Ca 0.21 0.11 0.09 0.00 -0.04 0.00 0.00 63.50 63.87 1iou n PRO 86 Cb 0.42 -1.46 0.56 0.00 -0.04 0.00 0.00 33.50 32.98 1iou n PRO 86 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1iou h VAL 87 N -0.04 0.80 0.30 0.52 3.04 -1.97 -3.21 116.25 115.69 1iou h VAL 87 Ca -0.44 -0.84 -0.00 0.00 -1.01 0.00 0.00 66.70 64.40 1iou h VAL 87 Cb 1.40 1.51 -0.03 0.00 -2.01 0.00 0.00 31.29 32.16 1iou h VAL 87 CO 0.43 0.21 -0.45 0.03 -1.01 0.00 0.00 177.57 176.78 1iou h ARG 88 N 0.00 -0.75 -0.05 4.17 2.47 -2.00 0.18 114.38 118.40 1iou h ARG 88 Ca -0.00 0.05 0.01 0.00 -1.26 0.00 0.00 59.98 58.78 1iou h ARG 88 Cb 0.49 0.17 -0.00 0.00 -1.65 0.00 0.00 29.97 28.98 1iou h ARG 88 CO 0.03 -0.50 0.04 -1.00 0.56 0.00 0.00 179.97 179.10 1iou h PRO 89 N -0.78 0.00 0.00 0.04 0.13 -1.90 0.65 132.00 130.14 1iou h PRO 89 Ca -0.03 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.03 1iou h PRO 89 Cb 0.71 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 1iou h PRO 89 CO -0.14 0.00 -0.32 0.00 -0.23 0.00 0.00 178.00 177.32 1iou h ALA 90 N 1.96 1.25 -0.18 -0.56 0.00 -1.26 0.27 119.26 120.75 1iou h ALA 90 Ca 0.02 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 1iou h ALA 90 Cb 0.11 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1iou h ALA 90 CO -0.00 0.40 -0.17 -0.92 0.00 0.00 0.00 179.25 178.56 1iou h TYR 91 N 0.00 0.52 -0.41 0.00 5.03 0.32 0.35 116.97 122.78 1iou h TYR 91 Ca -0.00 -0.15 -0.01 0.00 2.58 0.00 0.00 58.73 61.15 1iou h TYR 91 Cb 0.65 -0.11 -0.02 0.00 1.55 0.00 0.00 36.73 38.80 1iou h TYR 91 CO 0.00 0.79 0.22 1.15 -1.32 0.00 0.00 178.16 179.01 1iou h THR 92 N 0.09 1.15 0.29 1.81 2.02 -0.67 0.50 112.91 118.10 1iou h THR 92 Ca 0.03 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 1iou h THR 92 Cb 0.70 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1iou h THR 92 CO 0.04 0.16 -0.14 0.25 0.37 0.00 0.00 175.52 176.20 1iou h LEU 93 N 0.53 -0.33 0.00 2.58 6.46 -0.40 -1.07 115.31 123.08 1iou h LEU 93 Ca 0.14 -0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.84 1iou h LEU 93 Cb 0.05 0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.07 1iou h LEU 93 CO -0.02 -0.14 0.00 -0.11 -0.62 0.00 0.00 178.44 177.55 1iou n LEU 94 N -5.21 0.00 -0.04 2.25 -0.00 0.12 -2.09 117.00 112.03 1iou n LEU 94 Ca -0.10 0.42 -0.13 0.00 -0.00 0.00 0.00 56.01 56.20 1iou n LEU 94 Cb 0.21 -0.42 -0.11 0.00 -0.00 0.00 0.00 43.42 43.10 1iou n LEU 94 CO 0.34 -0.26 0.43 -1.13 -0.00 0.00 0.00 177.39 176.77 1iou h ASN 95 N 0.00 -0.02 -0.03 1.96 -0.73 0.13 -2.61 115.58 114.28 1iou h ASN 95 Ca 0.00 -0.77 -0.14 0.00 1.87 0.00 0.00 56.30 57.26 1iou h ASN 95 Cb 0.16 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.74 1iou h ASN 95 CO 0.00 0.80 -0.43 0.11 -0.37 0.00 0.00 177.43 177.54 1iou h LYS 96 N -0.87 0.57 0.28 6.67 1.57 -1.11 -2.18 116.57 121.50 1iou h LYS 96 Ca -0.00 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.46 1iou h LYS 96 Cb 0.79 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.11 1iou h LYS 96 CO 0.00 0.89 -0.13 0.97 -0.57 0.00 0.00 179.45 180.61 1iou h ILE 97 N 0.46 0.77 -0.91 1.86 2.10 -1.53 1.02 117.51 121.28 1iou h ILE 97 Ca 0.03 -0.38 -0.00 0.00 1.08 0.00 0.00 64.86 65.59 1iou h ILE 97 Cb 0.94 0.98 -0.04 0.00 -1.09 0.00 0.00 36.82 37.61 1iou h ILE 97 CO 0.08 0.08 0.57 -0.07 -1.08 0.00 0.00 178.15 177.73 1iou h LEU 98 N -0.57 1.08 -1.22 2.19 4.07 -1.51 1.38 115.31 120.73 1iou h LEU 98 Ca -0.04 -0.06 -0.07 0.00 0.08 0.00 0.00 57.88 57.80 1iou h LEU 98 Cb 0.42 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.87 1iou h LEU 98 CO 0.06 0.82 -0.33 0.44 -1.08 0.00 0.00 178.44 178.35 1iou h ASP 99 N 1.25 0.00 0.78 -0.43 5.19 -1.27 -1.32 116.42 120.62 1iou h ASP 99 Ca 0.33 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.53 1iou h ASP 99 Cb -0.08 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.42 1iou h ASP 99 CO -0.06 0.33 -0.97 -0.08 -3.12 0.00 0.00 179.24 175.34 1iou h GLU 100 N 0.00 0.10 0.00 3.56 4.57 0.38 -2.17 114.58 121.02 1iou h GLU 100 Ca -0.00 -0.14 -0.10 0.00 -1.18 0.00 0.00 59.36 57.93 1iou h GLU 100 Cb 0.72 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.35 1iou h GLU 100 CO 0.04 0.99 -0.49 -0.92 -1.18 0.00 0.00 179.01 177.45 1iou h TYR 101 N 0.04 0.00 0.01 0.92 5.03 0.24 -1.29 116.97 121.92 1iou h TYR 101 Ca -0.04 0.00 -0.26 0.00 2.58 0.00 0.00 58.73 61.01 1iou h TYR 101 Cb 1.66 0.00 0.02 0.00 1.55 0.00 0.00 36.73 39.96 1iou h TYR 101 CO 0.02 0.49 -1.00 -0.07 -1.32 0.00 0.00 178.16 176.28 1iou h LEU 102 N 0.00 0.87 -0.00 2.82 4.07 -1.15 -3.34 115.31 118.58 1iou h LEU 102 Ca -0.00 -0.75 -0.00 0.00 0.08 0.00 0.00 57.88 57.21 1iou h LEU 102 Cb 0.92 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.39 1iou h LEU 102 CO 0.06 1.50 -0.00 0.58 -1.08 0.00 0.00 178.44 179.50 1iou h VAL 103 N 0.33 1.50 -0.04 1.22 2.07 -1.27 -3.12 116.25 116.95 1iou h VAL 103 Ca -0.13 -1.49 0.01 0.00 0.82 0.00 0.00 66.70 65.92 1iou h VAL 103 Cb 1.66 2.51 -0.00 0.00 -1.52 0.00 0.00 31.29 33.94 1iou h VAL 103 CO 0.20 0.39 0.72 0.00 0.02 0.00 0.00 177.57 178.90 1iou h ALA 104 N 0.37 1.76 -1.23 1.67 0.00 -1.38 -3.39 119.26 117.06 1iou h ALA 104 Ca -0.00 -0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.08 1iou h ALA 104 Cb 0.64 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 18.12 1iou h ALA 104 CO 0.00 -0.74 0.64 -3.38 0.00 0.00 0.00 179.25 175.77 1iou s HIS 105 N -4.06 -0.24 0.35 0.00 0.00 -1.18 -5.11 115.29 105.05 1iou s HIS 105 Ca -0.02 0.49 -0.11 0.00 -3.00 0.00 0.00 55.06 52.42 1iou s HIS 105 Cb 0.04 0.18 -0.09 0.00 -4.00 0.00 0.00 32.58 28.72 1iou s HIS 105 CO 0.13 -0.12 -0.14 -2.30 -1.00 0.00 0.00 174.74 171.32 1iou n PRO 106 N 3.11 0.00 -0.30 -0.38 -0.02 -1.21 -4.44 135.00 131.77 1iou n PRO 106 Ca -0.17 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.42 1iou n PRO 106 Cb 0.57 -0.60 0.27 0.00 -0.02 0.00 0.00 33.50 33.72 1iou n PRO 106 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1iou h LYS 107 N -0.10 0.45 0.00 -0.52 2.10 -1.92 -0.53 116.57 116.06 1iou h LYS 107 Ca -0.25 -0.03 -0.13 0.00 -2.00 0.00 0.00 60.65 58.24 1iou h LYS 107 Cb 0.85 -0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 32.06 1iou h LYS 107 CO 0.23 0.30 -0.63 0.93 -2.00 0.00 0.00 179.45 178.28 1iou h GLU 108 N 0.47 0.00 -0.96 0.07 4.39 -1.95 -2.36 114.58 114.23 1iou h GLU 108 Ca 0.52 0.00 0.28 0.00 0.34 0.00 0.00 59.36 60.50 1iou h GLU 108 Cb 0.90 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.41 1iou h GLU 108 CO -0.47 0.63 0.45 1.49 -1.16 0.00 0.00 179.01 179.95 1iou h GLU 109 N 0.00 0.29 0.00 2.33 4.81 -1.36 -2.90 114.58 117.75 1iou h GLU 109 Ca -0.01 -0.02 -0.42 0.00 -0.13 0.00 0.00 59.36 58.78 1iou h GLU 109 Cb 1.40 -0.07 -0.07 0.00 0.63 0.00 0.00 28.75 30.65 1iou h GLU 109 CO 0.08 0.19 -2.44 -2.67 -0.73 0.00 0.00 179.01 173.45 1iou n TRP 110 N -5.11 0.00 -2.96 0.92 4.27 -1.25 -4.97 117.44 108.36 1iou n TRP 110 Ca 0.28 0.00 -0.16 0.00 -3.89 0.00 0.00 57.50 53.73 1iou n TRP 110 Cb 0.86 -0.93 -0.04 0.00 -1.36 0.00 0.00 31.31 29.84 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 -3.96 -0.88 -1.74 -1.67 0.00 -0.89 -1.67 120.51 109.71 1iou n ALA 111 Ca -0.49 -0.12 -0.01 0.00 0.00 0.00 0.00 53.44 52.81 1iou n ALA 111 Cb 0.88 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.60 1iou n ALA 111 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1iou n ASP 112 N -0.73 -3.07 -4.96 0.00 -0.08 -1.26 -4.78 116.55 101.66 1iou n ASP 112 Ca -0.03 0.13 -0.22 0.00 -1.51 0.00 0.00 54.79 53.16 1iou n ASP 112 Cb 0.23 -1.79 0.02 0.00 2.34 0.00 0.00 41.12 41.92 1iou n ASP 112 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1iou s VAL 113 N -1.09 3.43 -0.79 5.18 1.01 -0.67 -4.93 120.40 122.55 1iou s VAL 113 Ca 0.04 -0.54 0.15 0.00 0.00 0.00 0.00 61.98 61.63 1iou s VAL 113 Cb -0.01 -3.28 0.52 0.00 0.00 0.00 0.00 36.38 33.60 1iou s VAL 113 CO 0.14 -0.20 1.43 0.35 0.00 0.00 0.00 175.10 176.82 1iou n THR 114 N -2.22 1.66 -3.59 3.92 -2.24 -1.26 -4.61 114.28 105.95 1iou n THR 114 Ca 0.04 -1.33 -0.13 0.00 -2.27 0.00 0.00 64.05 60.37 1iou n THR 114 Cb 0.58 0.15 -0.06 0.00 -2.10 0.00 0.00 70.33 68.91 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 -1.82 0.75 0.45 -0.78 -1.05 -1.26 -5.04 118.70 109.95 1iou s GLU 115 Ca 0.38 0.47 0.01 0.00 -0.15 0.00 0.00 54.97 55.68 1iou s GLU 115 Cb 0.26 0.36 -0.01 0.00 -0.44 0.00 0.00 34.13 34.30 1iou s GLU 115 CO 0.17 -0.18 0.05 -2.37 0.95 0.00 0.00 175.26 173.89 1iou n THR 116 N 1.55 0.00 0.00 1.83 5.66 -1.26 -5.03 114.28 117.03 1iou n THR 116 Ca -0.14 -2.30 0.00 0.00 -3.05 0.00 0.00 64.05 58.56 1iou n THR 116 Cb 0.57 0.60 0.00 0.00 -1.55 0.00 0.00 70.33 69.94 1iou n THR 116 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1iou n ASN 117 N -1.39 0.00 0.06 1.09 0.23 -1.26 -4.96 115.26 109.03 1iou n ASN 117 Ca -0.15 0.00 -0.21 0.00 -0.53 0.00 0.00 54.58 53.69 1iou n ASN 117 Cb 0.61 0.09 -0.12 0.00 -2.08 0.00 0.00 39.78 38.28 1iou n ASN 117 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1iou h ASP 118 N 0.00 0.84 -0.12 0.53 3.32 -1.93 -3.27 116.42 115.80 1iou h ASP 118 Ca 0.00 -0.79 0.02 0.00 0.02 0.00 0.00 57.03 56.28 1iou h ASP 118 Cb 0.00 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 1iou h ASP 118 CO 0.00 1.53 0.01 0.00 -1.72 0.00 0.00 179.24 179.06 1iou h ALA 119 N 0.33 0.11 -0.60 3.45 0.00 -1.93 -0.76 119.26 119.85 1iou h ALA 119 Ca -0.15 0.03 0.17 0.00 0.00 0.00 0.00 54.91 54.96 1iou h ALA 119 Cb 1.74 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.55 1iou h ALA 119 CO 0.21 -0.45 0.53 -0.07 0.00 0.00 0.00 179.25 179.47 1iou h LEU 120 N 0.05 0.00 -4.54 0.00 3.38 -0.65 0.16 115.31 113.72 1iou h LEU 120 Ca 0.05 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.38 1iou h LEU 120 Cb 0.06 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 40.44 1iou h LEU 120 CO -0.08 0.00 -0.06 0.29 0.09 0.00 0.00 178.44 178.67 1iou n LYS 121 N -3.94 3.19 -3.23 1.13 4.01 -0.31 -4.33 118.16 114.68 1iou n LYS 121 Ca 0.12 -4.07 -0.45 0.00 -0.51 0.00 0.00 58.31 53.40 1iou n LYS 121 Cb 0.76 -2.26 -0.00 0.00 -0.51 0.00 0.00 35.03 33.02 1iou n LYS 121 CO 0.00 0.00 0.00 1.41 -1.11 0.00 0.00 177.40 177.70 1iou s MET 122 N -3.74 4.16 0.59 1.97 1.75 0.05 -4.85 119.30 119.22 1iou s MET 122 Ca 0.51 -3.01 0.29 0.00 -1.25 0.00 0.00 55.69 52.23 1iou s MET 122 Cb 0.42 -4.70 1.43 0.00 2.84 0.00 0.00 34.83 34.82 1iou s MET 122 CO -0.22 -1.39 1.83 -0.22 -0.65 0.00 0.00 175.02 174.36 1iou h LYS 123 N 6.85 0.00 0.00 4.11 1.63 -1.90 -2.49 116.57 124.77 1iou h LYS 123 Ca 0.22 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.02 1iou h LYS 123 Cb 0.88 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.51 1iou h LYS 123 CO 1.07 0.00 0.00 1.04 -3.45 0.00 0.00 179.45 178.11 1iou n GLN 124 N -3.73 0.00 0.00 1.90 3.00 -1.26 -0.64 117.38 116.65 1iou n GLN 124 Ca 0.12 0.50 0.14 0.00 -0.01 0.00 0.00 57.00 57.75 1iou n GLN 124 Cb 0.81 -1.36 0.59 0.00 0.00 0.00 0.00 30.24 30.28 1iou n GLN 124 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.06 178.43 1iou h LEU 125 N 0.00 0.18 0.74 1.08 8.10 -1.89 -1.69 115.31 121.83 1iou h LEU 125 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.96 1iou h LEU 125 Cb 0.00 -0.03 -0.00 0.00 -0.44 0.00 0.00 40.66 40.19 1iou h LEU 125 CO 0.00 0.11 -0.42 0.44 -4.11 0.00 0.00 178.44 174.46 1iou h ASP 126 N 0.20 -1.04 -0.01 0.17 3.32 -1.17 0.20 116.42 118.10 1iou h ASP 126 Ca 0.22 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1iou h ASP 126 Cb 0.61 0.30 -0.00 0.00 0.22 0.00 0.00 39.33 40.46 1iou h ASP 126 CO -0.04 -0.67 0.01 0.74 -1.72 0.00 0.00 179.24 177.56 1iou h THR 127 N -1.08 0.76 0.18 0.35 2.02 -0.38 -1.91 112.91 112.86 1iou h THR 127 Ca -0.10 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 1iou h THR 127 Cb 0.86 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 1iou h THR 127 CO 0.12 0.00 -0.09 1.88 0.37 0.00 0.00 175.52 177.80 1iou h TYR 128 N 0.00 -0.23 0.00 3.16 0.05 -0.64 -2.08 116.97 117.23 1iou h TYR 128 Ca 0.00 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 1iou h TYR 128 Cb 0.02 0.08 -0.00 0.00 1.01 0.00 0.00 36.73 37.84 1iou h TYR 128 CO 0.00 0.19 -0.01 0.97 -1.05 0.00 0.00 178.16 178.25 1iou h ILE 129 N -0.80 0.63 0.12 -2.88 -0.00 -0.28 1.01 117.51 115.30 1iou h ILE 129 Ca -0.03 -0.05 -0.28 0.00 -0.00 0.00 0.00 64.86 64.50 1iou h ILE 129 Cb 0.52 1.03 0.03 0.00 -0.00 0.00 0.00 36.82 38.40 1iou h ILE 129 CO 0.04 0.01 -1.18 -1.28 -0.00 0.00 0.00 178.15 175.74 1iou h SER 130 N 0.00 0.83 0.83 2.19 0.87 -1.34 -3.23 113.55 113.70 1iou h SER 130 Ca -0.00 -0.83 -0.24 0.00 -1.23 0.00 0.00 61.79 59.49 1iou h SER 130 Cb 0.03 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 61.69 1iou h SER 130 CO 0.00 1.58 -1.24 0.11 -0.53 0.00 0.00 176.83 176.75 1iou h LYS 131 N 0.20 0.00 0.00 2.24 6.56 -0.70 -3.28 116.57 121.58 1iou h LYS 131 Ca -0.18 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.41 1iou h LYS 131 Cb 1.87 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.53 1iou h LYS 131 CO 0.23 0.80 0.00 0.66 -2.06 0.00 0.00 179.45 179.08 1iou n TYR 132 N -3.23 0.58 -0.54 -1.35 4.01 0.34 -3.15 117.16 113.82 1iou n TYR 132 Ca -0.06 0.24 0.44 0.00 -0.16 0.00 0.00 57.90 58.35 1iou n TYR 132 Cb 0.97 -0.88 0.73 0.00 -0.31 0.00 0.00 39.34 39.86 1iou n TYR 132 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 1iou h GLN 133 N 0.00 0.04 0.00 -0.72 4.15 -1.62 -3.37 115.11 113.59 1iou h GLN 133 Ca 0.00 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1iou h GLN 133 Cb 0.29 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.98 1iou h GLN 133 CO 0.00 0.02 0.00 -3.47 -1.93 0.00 0.00 178.83 173.45 1iou n ASP 134 N -4.34 0.00 -0.02 -0.69 2.03 -1.22 -3.69 116.55 108.62 1iou n ASP 134 Ca 0.39 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.55 1iou n ASP 134 Cb 1.66 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 41.95 1iou n ASP 134 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1iou h PRO 135 N 0.00 0.21 0.00 -0.67 0.13 -1.70 -3.44 132.00 126.53 1iou h PRO 135 Ca 0.00 -0.23 -0.03 0.00 -0.87 0.00 0.00 66.00 64.86 1iou h PRO 135 Cb 0.00 0.07 -0.03 0.00 0.13 0.00 0.00 31.00 31.16 1iou h PRO 135 CO 0.00 0.96 -0.07 0.43 -0.23 0.00 0.00 178.00 179.09 1iou n SER 136 N -4.45 -0.26 -2.22 1.44 7.64 -1.26 -4.97 113.62 109.55 1iou n SER 136 Ca -0.10 -0.59 -0.07 0.00 1.01 0.00 0.00 58.87 59.12 1iou n SER 136 Cb 0.54 0.09 -0.01 0.00 -1.01 0.00 0.00 64.21 63.82 1iou n SER 136 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1iou n GLN 137 N -0.04 -2.27 -3.07 1.43 6.02 -1.26 -2.14 117.38 116.05 1iou n GLN 137 Ca -0.07 0.37 -0.15 0.00 -0.01 0.00 0.00 57.00 57.15 1iou n GLN 137 Cb 0.39 -4.85 0.01 0.00 1.02 0.00 0.00 30.24 26.81 1iou n GLN 137 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1iou n ALA 138 N -1.90 -2.78 -3.60 -1.58 0.00 -1.26 -3.72 120.51 105.67 1iou n ALA 138 Ca -0.09 0.77 -0.23 0.00 0.00 0.00 0.00 53.44 53.89 1iou n ALA 138 Cb 0.50 -3.00 0.04 0.00 0.00 0.00 0.00 19.45 17.00 1iou n ALA 138 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1iou n ASP 139 N -0.59 -3.42 -0.21 0.00 9.92 -1.04 -4.97 116.55 116.23 1iou n ASP 139 Ca 0.04 -0.85 0.03 0.00 -0.53 0.00 0.00 54.79 53.47 1iou n ASP 139 Cb 0.53 -4.11 0.02 0.00 -0.64 0.00 0.00 41.12 36.92 1iou n ASP 139 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33