#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iou n ARG 2 N 0.00 -1.89 -2.00 0.03 1.74 -1.26 -4.74 116.66 108.53 1iou n ARG 2 Ca 0.00 1.25 -0.39 0.00 -0.77 0.00 0.00 57.85 57.94 1iou n ARG 2 Cb 0.00 -2.31 0.00 0.00 -1.02 0.00 0.00 32.46 29.13 1iou n ARG 2 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1iou s ILE 3 N -1.46 2.52 0.00 0.55 2.07 -1.26 -1.37 121.20 122.25 1iou s ILE 3 Ca 0.00 0.45 0.00 0.00 -1.41 0.00 0.00 60.65 59.69 1iou s ILE 3 Cb 0.00 -3.26 0.00 0.00 0.13 0.00 0.00 42.46 39.33 1iou s ILE 3 CO 0.00 0.06 0.00 0.00 -1.91 0.00 0.00 174.94 173.09 1iou n TYR 4 N -0.06 0.00 -3.75 3.50 4.11 -1.03 -4.80 117.16 115.12 1iou n TYR 4 Ca 0.05 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.81 1iou n TYR 4 Cb 0.44 0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 39.69 1iou n TYR 4 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.86 176.39 1iou s TYR 5 N -1.55 -0.19 0.15 -3.48 6.14 -0.17 0.11 117.35 118.35 1iou s TYR 5 Ca 0.00 0.26 -0.14 0.00 0.64 0.00 0.00 57.07 57.83 1iou s TYR 5 Cb 0.00 0.11 0.02 0.00 0.42 0.00 0.00 41.96 42.51 1iou s TYR 5 CO 0.00 -0.42 0.39 0.42 0.64 0.00 0.00 175.55 176.58 1iou s ILE 6 N -1.50 0.07 -5.00 3.14 1.01 0.20 -0.08 121.20 119.03 1iou s ILE 6 Ca -0.12 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.65 1iou s ILE 6 Cb -0.04 -1.44 0.00 0.00 0.01 0.00 0.00 42.46 40.98 1iou s ILE 6 CO 0.03 -0.30 0.00 0.61 0.00 0.00 0.00 174.94 175.29 1iou n GLY 7 N -0.24 -0.86 3.27 6.18 0.00 -0.36 0.19 105.19 113.37 1iou n GLY 7 Ca -0.12 -1.35 -0.15 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.82 1.05 0.27 1.61 1.01 0.19 -0.59 120.40 121.11 1iou s VAL 8 Ca 0.00 -2.04 -0.14 0.00 0.00 0.00 0.00 61.98 59.80 1iou s VAL 8 Cb 0.00 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.37 1iou s VAL 8 CO 0.00 -0.60 0.55 -0.36 0.00 0.00 0.00 175.10 174.69 1iou s PHE 9 N -3.41 0.28 -0.24 5.22 0.40 0.12 -0.74 117.98 119.61 1iou s PHE 9 Ca 0.21 -0.67 -0.02 0.00 -0.60 0.00 0.00 56.93 55.85 1iou s PHE 9 Cb 0.04 0.32 0.08 0.00 0.51 0.00 0.00 43.02 43.96 1iou s PHE 9 CO 0.03 -1.09 0.06 0.50 0.70 0.00 0.00 175.22 175.43 1iou s ARG 10 N -3.84 0.66 -0.80 0.44 3.52 -1.04 -0.89 118.95 117.00 1iou s ARG 10 Ca 0.20 -0.68 -0.31 0.00 -0.13 0.00 0.00 55.73 54.82 1iou s ARG 10 Cb -0.02 -1.99 -0.18 0.00 -1.56 0.00 0.00 34.95 31.20 1iou s ARG 10 CO 0.09 -0.80 2.56 -1.13 -0.81 0.00 0.00 175.30 175.22 1iou n SER 11 N 4.99 0.93 -1.96 -2.12 3.41 -1.26 -0.62 113.62 116.99 1iou n SER 11 Ca -0.06 0.07 -0.14 0.00 -0.26 0.00 0.00 58.87 58.48 1iou n SER 11 Cb 0.45 -1.10 0.20 0.00 -0.26 0.00 0.00 64.21 63.50 1iou n SER 11 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iou n GLY 12 N 6.46 3.78 2.44 5.00 0.00 0.13 -4.90 105.19 118.10 1iou n GLY 12 Ca 0.57 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.54 1.27 0.35 -0.02 0.00 -1.26 -4.30 105.19 100.68 1iou n GLY 13 Ca 0.44 -0.61 0.17 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.19 1.61 3.07 -1.94 -3.44 114.58 110.69 1iou h GLU 14 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1iou h GLU 14 Cb 0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 27.80 1iou h GLU 14 CO 0.00 0.00 0.09 -1.59 -1.40 0.00 0.00 179.01 176.11 1iou s LYS 15 N -5.00 1.32 0.62 2.33 0.00 -1.26 -5.01 119.74 112.74 1iou s LYS 15 Ca -0.05 -0.71 -0.12 0.00 0.00 0.00 0.00 55.97 55.09 1iou s LYS 15 Cb 0.19 0.54 -0.04 0.00 0.00 0.00 0.00 37.83 38.52 1iou s LYS 15 CO 0.70 -0.57 1.03 0.00 0.00 0.00 0.00 175.35 176.51 1iou s ALA 16 N -3.82 3.00 0.15 0.59 0.00 -0.98 -0.70 121.76 119.99 1iou s ALA 16 Ca 0.05 0.01 -0.03 0.00 0.00 0.00 0.00 51.96 52.00 1iou s ALA 16 Cb -0.01 -3.11 -0.05 0.00 0.00 0.00 0.00 23.12 19.95 1iou s ALA 16 CO -0.07 -0.72 0.35 -1.17 0.00 0.00 0.00 175.76 174.14 1iou s LEU 17 N -5.04 4.27 -1.14 0.00 0.20 0.20 -4.72 118.68 112.46 1iou s LEU 17 Ca 0.57 0.47 -0.18 0.00 0.69 0.00 0.00 54.13 55.67 1iou s LEU 17 Cb -0.12 -3.20 -0.05 0.00 -0.43 0.00 0.00 46.19 42.39 1iou s LEU 17 CO 0.50 0.04 2.05 1.21 -0.29 0.00 0.00 176.35 179.86 1iou n GLU 18 N -0.11 2.22 -0.25 1.98 4.07 -1.26 -2.50 120.64 124.78 1iou n GLU 18 Ca -0.04 -2.31 -0.07 0.00 -0.06 0.00 0.00 57.16 54.68 1iou n GLU 18 Cb 0.52 -3.17 0.05 0.00 -0.06 0.00 0.00 31.44 28.78 1iou n GLU 18 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1iou h LEU 19 N 12.23 1.05 -7.00 4.31 5.85 -1.64 -3.23 115.31 126.88 1iou h LEU 19 Ca 0.48 -0.22 0.09 0.00 0.84 0.00 0.00 57.88 59.06 1iou h LEU 19 Cb 0.68 -0.28 -0.26 0.00 0.37 0.00 0.00 40.66 41.18 1iou h LEU 19 CO 1.86 1.00 0.34 -0.44 -0.34 0.00 0.00 178.44 180.85 1iou s SER 20 N -6.40 -0.57 -0.15 1.25 0.01 0.08 -1.66 113.70 106.27 1iou s SER 20 Ca -0.12 0.94 -0.02 0.00 1.31 0.00 0.00 55.95 58.06 1iou s SER 20 Cb 0.15 1.18 0.05 0.00 0.21 0.00 0.00 66.02 67.60 1iou s SER 20 CO 0.84 -0.15 0.01 -1.83 0.41 0.00 0.00 173.24 172.52 1iou s GLU 21 N 1.17 0.73 -0.08 12.44 4.04 -1.26 0.53 118.70 136.27 1iou s GLU 21 Ca -0.07 -0.25 0.05 0.00 0.04 0.00 0.00 54.97 54.75 1iou s GLU 21 Cb -0.04 -1.71 -0.01 0.00 0.02 0.00 0.00 34.13 32.40 1iou s GLU 21 CO -0.14 -0.50 -0.25 0.54 -1.84 0.00 0.00 175.26 173.08 1iou s VAL 22 N 1.88 2.06 0.36 1.83 0.11 0.13 -4.81 120.40 121.96 1iou s VAL 22 Ca 0.01 -1.04 0.08 0.00 -2.93 0.00 0.00 61.98 58.10 1iou s VAL 22 Cb -0.15 -1.76 -0.03 0.00 -1.53 0.00 0.00 36.38 32.91 1iou s VAL 22 CO -0.07 0.57 0.29 -0.54 -3.33 0.00 0.00 175.10 172.01 1iou s LYS 23 N 0.09 2.60 -0.24 1.54 3.01 -1.26 -0.63 119.74 124.85 1iou s LYS 23 Ca -0.11 -1.42 -0.02 0.00 -1.01 0.00 0.00 55.97 53.40 1iou s LYS 23 Cb -0.16 -2.38 0.12 0.00 -1.01 0.00 0.00 37.83 34.40 1iou s LYS 23 CO 0.06 0.01 0.31 0.34 0.51 0.00 0.00 175.35 176.58 1iou s ASP 24 N -4.01 0.94 -0.48 2.83 2.15 0.30 -4.88 116.67 113.52 1iou s ASP 24 Ca 0.42 -0.17 0.03 0.00 0.43 0.00 0.00 52.55 53.27 1iou s ASP 24 Cb -0.04 0.74 0.15 0.00 -0.30 0.00 0.00 42.92 43.47 1iou s ASP 24 CO 0.26 -0.33 0.32 -0.76 -0.17 0.00 0.00 175.17 174.49 1iou s LEU 25 N 2.43 2.54 -0.01 -1.34 1.43 -1.26 -4.33 118.68 118.15 1iou s LEU 25 Ca 0.10 -2.96 0.10 0.00 -1.03 0.00 0.00 54.13 50.34 1iou s LEU 25 Cb -0.15 -0.90 -0.13 0.00 0.03 0.00 0.00 46.19 45.04 1iou s LEU 25 CO -0.19 -0.20 0.34 -1.20 0.23 0.00 0.00 176.35 175.33 1iou n SER 26 N 3.07 1.36 -0.01 2.29 7.64 -1.26 -4.66 113.62 122.05 1iou n SER 26 Ca 0.18 -0.43 0.02 0.00 1.01 0.00 0.00 58.87 59.64 1iou n SER 26 Cb 0.39 1.19 -0.04 0.00 -1.01 0.00 0.00 64.21 64.74 1iou n SER 26 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1iou n GLN 27 N -1.49 0.76 -2.49 1.43 6.02 -1.26 -4.99 117.38 115.36 1iou n GLN 27 Ca 0.00 -0.04 -0.42 0.00 -0.01 0.00 0.00 57.00 56.53 1iou n GLN 27 Cb 0.20 -1.13 -0.03 0.00 1.02 0.00 0.00 30.24 30.31 1iou n GLN 27 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1iou s PHE 28 N -2.32 3.19 0.00 1.08 0.08 -1.26 -5.02 117.98 113.73 1iou s PHE 28 Ca -0.02 1.24 0.00 0.00 0.12 0.00 0.00 56.93 58.27 1iou s PHE 28 Cb 0.03 -3.40 0.00 0.00 -0.57 0.00 0.00 43.02 39.08 1iou s PHE 28 CO 0.22 -1.22 0.00 0.41 -0.10 0.00 0.00 175.22 174.53 1iou n GLY 29 N 3.36 -2.86 0.00 4.36 0.00 -1.26 -4.04 105.19 104.75 1iou n GLY 29 Ca 0.11 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1iou n GLY 29 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1iou n PHE 30 N -2.25 0.00 0.24 1.61 7.35 -1.26 -0.03 117.46 123.11 1iou n PHE 30 Ca 0.00 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.78 1iou n PHE 30 Cb 0.00 -0.20 0.58 0.00 0.35 0.00 0.00 39.48 40.21 1iou n PHE 30 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 1iou h PHE 31 N 0.00 0.00 -0.41 -5.13 0.04 -2.01 -2.52 116.94 106.91 1iou h PHE 31 Ca 0.00 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 1iou h PHE 31 Cb 0.00 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 1iou h PHE 31 CO 0.02 0.20 0.05 1.49 -0.60 0.00 0.00 178.31 179.47 1iou h GLU 32 N 0.00 0.70 -0.63 1.51 4.81 -1.87 -2.58 114.58 116.52 1iou h GLU 32 Ca -0.00 -0.20 0.13 0.00 -0.13 0.00 0.00 59.36 59.16 1iou h GLU 32 Cb 0.45 -0.08 -0.10 0.00 0.63 0.00 0.00 28.75 29.65 1iou h GLU 32 CO 0.03 0.75 0.02 0.00 -0.73 0.00 0.00 179.01 179.08 1iou h ARG 33 N 0.55 0.13 -0.13 1.92 3.08 0.01 0.29 114.38 120.23 1iou h ARG 33 Ca 0.12 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 1iou h ARG 33 Cb 0.41 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1iou h ARG 33 CO 0.01 0.09 0.07 1.03 -1.07 0.00 0.00 179.97 180.10 1iou h SER 34 N 0.14 0.16 -0.52 7.04 0.87 -1.54 0.14 113.55 119.84 1iou h SER 34 Ca 0.33 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.79 1iou h SER 34 Cb 0.53 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 1iou h SER 34 CO -0.52 0.20 0.29 0.77 -0.53 0.00 0.00 176.83 177.05 1iou h SER 35 N 0.11 0.64 -0.17 6.23 4.64 -0.87 -2.42 113.55 121.72 1iou h SER 35 Ca 0.05 -0.08 -0.12 0.00 -0.47 0.00 0.00 61.79 61.17 1iou h SER 35 Cb 0.08 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 1iou h SER 35 CO -0.01 0.54 -0.29 0.58 -0.87 0.00 0.00 176.83 176.78 1iou h VAL 36 N 0.70 1.28 0.04 0.95 2.07 -0.35 -1.76 116.25 119.17 1iou h VAL 36 Ca 0.18 -1.41 0.02 0.00 0.82 0.00 0.00 66.70 66.32 1iou h VAL 36 Cb 0.03 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1iou h VAL 36 CO -0.03 0.46 -0.19 1.23 0.02 0.00 0.00 177.57 179.06 1iou h GLY 37 N 0.99 -0.29 1.62 2.17 0.00 -0.38 0.63 103.07 107.82 1iou h GLY 37 Ca 0.07 0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.61 1iou h GLY 37 CO 0.06 -0.18 0.15 -1.61 0.00 0.00 0.00 176.54 174.97 1iou h GLN 38 N -0.33 0.50 -0.60 4.80 5.75 -1.39 -1.01 115.11 122.83 1iou h GLN 38 Ca 0.05 -0.06 -0.06 0.00 -0.15 0.00 0.00 58.65 58.43 1iou h GLN 38 Cb 0.38 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.81 1iou h GLN 38 CO -0.15 0.41 0.12 0.35 -2.65 0.00 0.00 178.83 176.90 1iou h PHE 39 N 0.50 0.99 0.88 3.99 3.04 -0.19 -2.24 116.94 123.92 1iou h PHE 39 Ca 0.13 -0.11 -0.04 0.00 3.98 0.00 0.00 57.97 61.92 1iou h PHE 39 Cb 0.09 -0.28 0.01 0.00 2.56 0.00 0.00 35.95 38.33 1iou h PHE 39 CO 0.00 0.84 -0.42 0.52 -2.02 0.00 0.00 178.31 177.23 1iou h MET 40 N 0.90 -1.14 0.48 1.11 2.86 0.15 -2.18 114.93 117.11 1iou h MET 40 Ca 0.19 0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.89 1iou h MET 40 Cb 0.36 0.26 -0.02 0.00 0.06 0.00 0.00 31.60 32.27 1iou h MET 40 CO 0.00 -0.76 -0.46 1.15 1.06 0.00 0.00 176.91 177.91 1iou h THR 41 N -1.27 0.00 -0.93 2.22 2.02 -1.44 0.47 112.91 113.97 1iou h THR 41 Ca -0.12 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.33 1iou h THR 41 Cb 0.91 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 67.18 1iou h THR 41 CO 0.20 0.00 0.34 0.15 0.37 0.00 0.00 175.52 176.58 1iou h PHE 42 N -0.93 0.53 -0.17 3.16 3.57 -1.50 0.81 116.94 122.41 1iou h PHE 42 Ca -0.06 0.05 -0.18 0.00 3.53 0.00 0.00 57.97 61.31 1iou h PHE 42 Cb 0.80 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.46 1iou h PHE 42 CO -0.22 -0.21 -0.63 0.35 -2.23 0.00 0.00 178.31 175.36 1iou h PHE 43 N 0.24 0.76 -0.40 0.41 3.57 -0.93 -2.21 116.94 118.38 1iou h PHE 43 Ca 0.62 -0.30 -0.15 0.00 3.53 0.00 0.00 57.97 61.67 1iou h PHE 43 Cb 1.32 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 1iou h PHE 43 CO -0.19 1.06 -0.35 0.00 -2.23 0.00 0.00 178.31 176.61 1iou h ALA 44 N 0.87 0.63 -0.39 2.41 0.00 0.51 -2.00 119.26 121.29 1iou h ALA 44 Ca -0.01 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.34 1iou h ALA 44 Cb 1.20 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1iou h ALA 44 CO 0.12 0.68 -0.23 1.05 0.00 0.00 0.00 179.25 180.87 1iou h GLU 45 N 0.76 0.78 0.33 0.00 4.11 0.28 -2.85 114.58 117.99 1iou h GLU 45 Ca 0.07 -0.32 -0.02 0.00 0.07 0.00 0.00 59.36 59.17 1iou h GLU 45 Cb 0.93 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1iou h GLU 45 CO 0.09 0.93 -0.16 1.15 0.07 0.00 0.00 179.01 181.09 1iou h THR 46 N 0.68 0.69 -0.20 -1.06 2.02 -1.28 -1.05 112.91 112.71 1iou h THR 46 Ca 0.09 -0.30 0.03 0.00 0.77 0.00 0.00 66.41 67.01 1iou h THR 46 Cb 0.74 0.85 -0.06 0.00 -1.74 0.00 0.00 68.15 67.94 1iou h THR 46 CO 0.06 0.06 -0.48 -0.37 0.37 0.00 0.00 175.52 175.16 1iou h VAL 47 N -0.61 0.00 -0.41 3.16 -1.51 -1.32 2.33 116.25 117.89 1iou h VAL 47 Ca -0.05 0.00 0.12 0.00 -1.23 0.00 0.00 66.70 65.54 1iou h VAL 47 Cb 0.44 0.00 -0.02 0.00 -2.13 0.00 0.00 31.29 29.58 1iou h VAL 47 CO 0.07 0.00 0.31 0.00 -1.23 0.00 0.00 177.57 176.73 1iou h ALA 48 N -0.37 2.34 0.00 5.19 0.00 -1.53 1.23 119.26 126.12 1iou h ALA 48 Ca 0.04 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 1iou h ALA 48 Cb 0.56 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1iou h ALA 48 CO -0.43 -0.53 -0.98 0.66 0.00 0.00 0.00 179.25 177.98 1iou h SER 49 N 0.00 0.00 0.63 0.00 4.64 0.12 -3.31 113.55 115.63 1iou h SER 49 Ca 0.20 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.25 1iou h SER 49 Cb 0.82 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.87 1iou h SER 49 CO -0.00 0.97 -1.50 0.08 -0.87 0.00 0.00 176.83 175.51 1iou h ARG 50 N 0.00 0.02 -6.51 4.77 0.11 0.70 -3.44 114.38 110.03 1iou h ARG 50 Ca -0.01 -0.03 -0.55 0.00 0.10 0.00 0.00 59.98 59.48 1iou h ARG 50 Cb 1.75 0.01 -0.06 0.00 1.11 0.00 0.00 29.97 32.78 1iou h ARG 50 CO 0.13 0.69 1.05 0.99 0.10 0.00 0.00 179.97 182.92 1iou s THR 51 N -2.63 3.91 -0.05 0.08 2.01 0.39 -4.88 115.64 114.47 1iou s THR 51 Ca -0.04 0.84 -0.00 0.00 0.31 0.00 0.00 61.69 62.80 1iou s THR 51 Cb 0.08 -4.48 0.02 0.00 0.01 0.00 0.00 72.50 68.14 1iou s THR 51 CO 0.82 -1.11 2.08 0.61 -0.69 0.00 0.00 174.62 176.33 1iou n GLY 52 N 5.13 2.78 1.43 4.40 0.00 -1.26 -4.85 105.19 112.83 1iou n GLY 52 Ca 0.12 -0.24 0.10 0.00 0.00 0.00 0.00 46.02 46.01 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 1.36 -2.98 -1.08 4.61 0.00 -1.26 -4.78 120.51 116.38 1iou n ALA 53 Ca 0.07 0.71 -0.03 0.00 0.00 0.00 0.00 53.44 54.20 1iou n ALA 53 Cb 0.53 -1.46 -0.01 0.00 0.00 0.00 0.00 19.45 18.51 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 -3.66 0.53 3.63 0.00 0.00 -1.25 -4.96 105.19 99.49 1iou n GLY 54 Ca -0.06 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.40 1.53 0.02 1.61 -1.05 -1.26 -5.05 118.70 113.10 1iou s GLU 55 Ca 0.00 -0.78 0.05 0.00 -0.15 0.00 0.00 54.97 54.09 1iou s GLU 55 Cb 0.00 0.58 -0.03 0.00 -0.44 0.00 0.00 34.13 34.24 1iou s GLU 55 CO 0.00 -0.68 -0.13 -0.98 0.95 0.00 0.00 175.26 174.42 1iou s ARG 56 N -3.85 2.29 -0.04 -4.83 1.70 -1.26 -2.89 118.95 110.07 1iou s ARG 56 Ca 0.07 -0.86 0.05 0.00 -0.47 0.00 0.00 55.73 54.52 1iou s ARG 56 Cb -0.03 -2.33 -0.01 0.00 -0.57 0.00 0.00 34.95 32.01 1iou s ARG 56 CO -0.02 0.57 -0.19 -0.65 -1.08 0.00 0.00 175.30 173.93 1iou s GLN 57 N -1.41 1.91 -0.30 3.89 -1.52 -0.37 -4.89 119.66 116.97 1iou s GLN 57 Ca 0.16 -0.69 0.01 0.00 -1.95 0.00 0.00 55.36 52.89 1iou s GLN 57 Cb -0.11 -1.68 0.09 0.00 -0.22 0.00 0.00 33.01 31.09 1iou s GLN 57 CO 0.06 0.31 0.05 -1.12 -0.25 0.00 0.00 175.29 174.33 1iou s SER 58 N -0.10 4.24 -0.48 5.90 0.01 -1.23 0.26 113.70 122.30 1iou s SER 58 Ca -0.02 -1.71 -0.21 0.00 1.31 0.00 0.00 55.95 55.32 1iou s SER 58 Cb -0.11 -1.20 0.04 0.00 0.21 0.00 0.00 66.02 64.95 1iou s SER 58 CO 0.02 -0.36 0.71 0.27 0.41 0.00 0.00 173.24 174.29 1iou s ILE 59 N 1.32 4.74 -0.30 1.44 -4.36 -0.36 -4.72 121.20 118.95 1iou s ILE 59 Ca 0.07 0.00 -0.15 0.00 -0.26 0.00 0.00 60.65 60.31 1iou s ILE 59 Cb -0.18 -4.31 -0.03 0.00 1.25 0.00 0.00 42.46 39.19 1iou s ILE 59 CO -0.15 -0.77 0.38 -1.61 0.24 0.00 0.00 174.94 173.04 1iou s GLU 60 N 3.03 3.82 -0.34 0.37 2.02 -1.26 0.78 118.70 127.12 1iou s GLU 60 Ca 0.23 -0.14 0.01 0.00 0.02 0.00 0.00 54.97 55.09 1iou s GLU 60 Cb -0.15 -3.72 0.09 0.00 0.10 0.00 0.00 34.13 30.45 1iou s GLU 60 CO 0.17 -0.40 0.06 -1.21 0.02 0.00 0.00 175.26 173.90 1iou s GLU 61 N 2.09 1.88 0.00 1.61 0.41 -0.80 -4.89 118.70 119.00 1iou s GLU 61 Ca 0.14 -1.69 0.00 0.00 -0.41 0.00 0.00 54.97 53.02 1iou s GLU 61 Cb -0.16 -3.26 0.00 0.00 -1.78 0.00 0.00 34.13 28.94 1iou s GLU 61 CO 0.11 -0.87 0.00 0.41 -0.49 0.00 0.00 175.26 174.42 1iou n GLY 62 N 4.43 0.26 0.43 -1.39 0.00 -1.26 -0.96 105.19 106.69 1iou n GLY 62 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.89 0.00 -4.71 1.61 2.85 -1.26 -5.10 115.26 109.53 1iou n ASN 63 Ca 0.00 -1.34 -0.32 0.00 -0.11 0.00 0.00 54.58 52.81 1iou n ASN 63 Cb 0.00 -0.07 -0.05 0.00 1.24 0.00 0.00 39.78 40.90 1iou n ASN 63 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 1iou n TYR 64 N 0.00 0.86 -3.67 1.20 4.02 -0.13 -3.00 117.16 116.44 1iou n TYR 64 Ca 0.00 -2.48 -0.15 0.00 -0.01 0.00 0.00 57.90 55.26 1iou n TYR 64 Cb 0.57 -0.36 -0.08 0.00 -0.02 0.00 0.00 39.34 39.45 1iou n TYR 64 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1iou s ILE 65 N -2.82 0.03 -0.45 -0.72 1.01 0.59 -1.91 121.20 116.93 1iou s ILE 65 Ca 0.06 -0.27 0.03 0.00 0.00 0.00 0.00 60.65 60.47 1iou s ILE 65 Cb -0.00 -0.76 0.15 0.00 0.01 0.00 0.00 42.46 41.86 1iou s ILE 65 CO 0.04 -0.15 0.31 -0.83 0.00 0.00 0.00 174.94 174.31 1iou s GLY 66 N -1.19 1.51 0.77 6.18 0.00 0.23 0.10 107.32 114.92 1iou s GLY 66 Ca -0.12 -2.57 -0.14 0.00 0.00 0.00 0.00 44.72 41.89 1iou s GLY 66 CO 0.06 1.81 1.21 0.30 0.00 0.00 0.00 173.10 176.49 1iou s HIS 67 N 0.12 1.90 -0.17 1.90 0.09 0.80 -1.22 115.29 118.72 1iou s HIS 67 Ca 0.25 1.63 -0.14 0.00 -0.00 0.00 0.00 55.06 56.80 1iou s HIS 67 Cb -0.10 -3.50 0.05 0.00 -0.00 0.00 0.00 32.58 29.03 1iou s HIS 67 CO -0.10 -2.78 0.45 0.08 -0.00 0.00 0.00 174.74 172.38 1iou s VAL 68 N -2.04 -0.00 -0.16 -0.90 1.01 0.74 -0.44 120.40 118.60 1iou s VAL 68 Ca 0.74 0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.69 1iou s VAL 68 Cb -0.29 -0.63 0.06 0.00 0.00 0.00 0.00 36.38 35.52 1iou s VAL 68 CO 0.48 0.01 0.12 -0.31 0.00 0.00 0.00 175.10 175.40 1iou s TYR 69 N 0.48 0.06 0.18 5.22 1.51 -0.96 -1.23 117.35 122.62 1iou s TYR 69 Ca -0.02 -0.09 0.07 0.00 -1.01 0.00 0.00 57.07 56.02 1iou s TYR 69 Cb -0.04 -0.58 -0.04 0.00 -0.11 0.00 0.00 41.96 41.19 1iou s TYR 69 CO -0.02 -0.49 0.02 0.00 -1.11 0.00 0.00 175.55 173.95 1iou s ALA 70 N 2.19 3.24 0.42 3.71 0.00 -1.14 -2.02 121.76 128.16 1iou s ALA 70 Ca 0.03 -1.38 0.08 0.00 0.00 0.00 0.00 51.96 50.69 1iou s ALA 70 Cb -0.15 -1.01 -0.01 0.00 0.00 0.00 0.00 23.12 21.94 1iou s ALA 70 CO -0.09 0.46 0.44 0.50 0.00 0.00 0.00 175.76 177.06 1iou s ARG 71 N -3.05 2.62 0.00 0.00 6.06 -1.26 -3.74 118.95 119.58 1iou s ARG 71 Ca 0.28 -1.45 0.31 0.00 -2.50 0.00 0.00 55.73 52.38 1iou s ARG 71 Cb -0.09 -2.49 1.79 0.00 0.06 0.00 0.00 34.95 34.22 1iou s ARG 71 CO 0.19 -0.22 2.18 0.43 -2.50 0.00 0.00 175.30 175.38 1iou n SER 72 N -1.64 0.03 0.00 -2.12 7.64 -1.26 -3.75 113.62 112.52 1iou n SER 72 Ca 0.05 -0.79 0.00 0.00 1.01 0.00 0.00 58.87 59.14 1iou n SER 72 Cb 0.61 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 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 -1.05 0.00 0.00 1.43 -0.58 -1.26 -5.01 120.64 114.17 1iou n GLU 73 Ca 0.21 0.28 0.00 0.00 -0.42 0.00 0.00 57.16 57.23 1iou n GLU 73 Cb 0.15 -0.92 0.00 0.00 -0.57 0.00 0.00 31.44 30.10 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 1.37 0.00 3.58 0.62 0.00 -1.26 -4.95 105.19 104.55 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 -1.50 0.00 0.00 0.00 173.32 171.82 1iou s ILE 75 N -0.13 4.01 0.23 -0.61 -1.16 -1.26 -4.09 121.20 118.18 1iou s ILE 75 Ca 0.00 -0.34 0.11 0.00 -0.51 0.00 0.00 60.65 59.91 1iou s ILE 75 Cb 0.00 -2.71 -0.05 0.00 0.61 0.00 0.00 42.46 40.31 1iou s ILE 75 CO 0.00 0.55 -0.18 0.00 -2.81 0.00 0.00 174.94 172.49 1iou s GLY 77 N -3.07 2.04 0.02 0.00 0.00 -0.86 0.13 107.32 105.59 1iou s GLY 77 Ca 0.25 -0.70 0.05 0.00 0.00 0.00 0.00 44.72 44.33 1iou s GLY 77 CO 0.13 -0.34 -0.12 0.14 0.00 0.00 0.00 173.10 172.92 1iou s VAL 78 N -0.72 3.27 -0.03 1.40 1.01 0.24 -2.25 120.40 123.31 1iou s VAL 78 Ca 0.13 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1iou s VAL 78 Cb -0.12 -2.40 0.01 0.00 0.00 0.00 0.00 36.38 33.87 1iou s VAL 78 CO 0.03 0.37 -0.05 -0.22 0.00 0.00 0.00 175.10 175.22 1iou s LEU 79 N -1.42 1.54 -0.08 3.92 2.96 0.41 -1.22 118.68 124.79 1iou s LEU 79 Ca 0.16 -0.13 -0.01 0.00 -0.22 0.00 0.00 54.13 53.93 1iou s LEU 79 Cb -0.11 -0.42 0.03 0.00 0.50 0.00 0.00 46.19 46.19 1iou s LEU 79 CO 0.07 -0.01 -0.01 0.27 -1.32 0.00 0.00 176.35 175.35 1iou s ILE 80 N 0.58 0.47 0.26 6.68 -4.36 0.88 0.28 121.20 125.99 1iou s ILE 80 Ca -0.08 0.03 0.04 0.00 -0.26 0.00 0.00 60.65 60.39 1iou s ILE 80 Cb -0.11 -0.63 -0.02 0.00 1.25 0.00 0.00 42.46 42.96 1iou s ILE 80 CO 0.00 0.25 0.25 1.07 0.24 0.00 0.00 174.94 176.75 1iou n THR 81 N 5.12 0.00 -1.79 8.37 5.66 0.28 -1.00 114.28 130.92 1iou n THR 81 Ca -0.08 -1.76 -0.30 0.00 -3.05 0.00 0.00 64.05 58.86 1iou n THR 81 Cb 0.50 0.91 0.06 0.00 -1.55 0.00 0.00 70.33 70.25 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 -2.75 5.18 0.64 1.09 -1.08 -0.47 0.22 116.67 119.50 1iou s ASP 82 Ca 0.29 1.19 0.36 0.00 -0.52 0.00 0.00 52.55 53.87 1iou s ASP 82 Cb 0.01 -1.97 2.00 0.00 -1.46 0.00 0.00 42.92 41.50 1iou s ASP 82 CO 0.20 -1.52 2.19 0.11 0.52 0.00 0.00 175.17 176.68 1iou h LYS 83 N -0.78 0.00 -1.23 4.34 6.56 -1.72 -0.99 116.57 122.75 1iou h LYS 83 Ca -0.45 0.00 -0.20 0.00 -1.06 0.00 0.00 60.65 58.94 1iou h LYS 83 Cb 1.26 0.00 -0.10 0.00 -0.57 0.00 0.00 32.23 32.81 1iou h LYS 83 CO 0.62 0.00 0.25 1.04 -2.06 0.00 0.00 179.45 179.31 1iou n GLN 84 N -3.29 1.48 -3.42 3.15 3.00 -1.26 -4.44 117.38 112.61 1iou n GLN 84 Ca -0.02 -1.06 -0.27 0.00 -0.01 0.00 0.00 57.00 55.64 1iou n GLN 84 Cb 0.21 -1.42 -0.10 0.00 0.00 0.00 0.00 30.24 28.93 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 -1.19 1.20 1.00 1.08 6.14 -0.38 -4.88 117.35 120.32 1iou s TYR 85 Ca 0.20 -2.37 -0.19 0.00 0.64 0.00 0.00 57.07 55.35 1iou s TYR 85 Cb 0.17 -1.00 -0.15 0.00 0.42 0.00 0.00 41.96 41.40 1iou s TYR 85 CO 0.02 -0.82 -0.91 -2.30 0.64 0.00 0.00 175.55 172.19 1iou n PRO 86 N 2.80 -0.03 0.13 4.97 -0.02 -1.26 -4.84 135.00 136.75 1iou n PRO 86 Ca 0.29 -0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1iou n PRO 86 Cb 0.47 -1.04 0.03 0.00 -0.02 0.00 0.00 33.50 32.94 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 -1.03 1.08 -0.09 -1.45 2.07 -1.97 -3.23 116.25 111.62 1iou h VAL 87 Ca -0.43 -2.43 0.04 0.00 0.82 0.00 0.00 66.70 64.69 1iou h VAL 87 Cb 1.32 2.47 -0.04 0.00 -1.52 0.00 0.00 31.29 33.52 1iou h VAL 87 CO 0.23 0.60 -0.17 0.03 0.02 0.00 0.00 177.57 178.28 1iou h ARG 88 N 0.00 -0.23 -0.25 1.57 3.08 -1.98 1.26 114.38 117.83 1iou h ARG 88 Ca -0.01 0.02 -0.14 0.00 0.07 0.00 0.00 59.98 59.92 1iou h ARG 88 Cb 1.42 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.51 1iou h ARG 88 CO 0.08 -0.15 -0.42 -1.35 -1.07 0.00 0.00 179.97 177.06 1iou h PRO 89 N -0.24 0.61 0.00 0.04 0.11 -1.94 -1.39 132.00 129.19 1iou h PRO 89 Ca 0.08 -0.32 -0.06 0.00 0.11 0.00 0.00 66.00 65.82 1iou h PRO 89 Cb 0.35 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 1iou h PRO 89 CO -0.23 0.91 -0.27 0.00 -0.21 0.00 0.00 178.00 178.21 1iou h ALA 90 N 1.04 1.39 -0.25 -0.75 0.00 -1.45 0.15 119.26 119.39 1iou h ALA 90 Ca 0.04 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 1iou h ALA 90 Cb 0.94 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1iou h ALA 90 CO 0.08 0.33 -0.49 -0.92 0.00 0.00 0.00 179.25 178.25 1iou h TYR 91 N 0.00 0.86 -0.39 0.00 3.20 0.22 0.80 116.97 121.67 1iou h TYR 91 Ca -0.00 -0.29 -0.04 0.00 3.14 0.00 0.00 58.73 61.54 1iou h TYR 91 Cb 0.53 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 1iou h TYR 91 CO 0.00 1.05 0.09 1.15 -1.64 0.00 0.00 178.16 178.81 1iou h THR 92 N 0.55 1.23 -0.41 1.81 2.02 -0.06 0.22 112.91 118.27 1iou h THR 92 Ca 0.02 -0.78 -0.12 0.00 0.77 0.00 0.00 66.41 66.30 1iou h THR 92 Cb 1.05 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 1iou h THR 92 CO 0.10 0.27 -0.23 0.25 0.37 0.00 0.00 175.52 176.28 1iou h LEU 93 N 0.48 0.85 -1.45 2.58 6.46 -0.56 -1.15 115.31 122.52 1iou h LEU 93 Ca 0.12 -0.31 0.00 0.00 -0.12 0.00 0.00 57.88 57.57 1iou h LEU 93 Cb 0.31 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.01 1iou h LEU 93 CO 0.00 1.04 0.00 -0.07 -0.62 0.00 0.00 178.44 178.80 1iou h LEU 94 N 0.72 0.00 0.08 2.25 3.38 0.10 -1.32 115.31 120.52 1iou h LEU 94 Ca 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1iou h LEU 94 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1iou h LEU 94 CO 0.06 0.00 -0.04 -1.13 0.09 0.00 0.00 178.44 177.42 1iou h ASN 95 N 0.00 -0.09 -0.50 -0.43 -0.00 0.66 -2.75 115.58 112.48 1iou h ASN 95 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 56.30 56.37 1iou h ASN 95 Cb 0.32 0.02 -0.06 0.00 -0.00 0.00 0.00 38.32 38.61 1iou h ASN 95 CO 0.00 0.17 0.16 0.11 -0.00 0.00 0.00 177.43 177.87 1iou h LYS 96 N -0.57 0.32 -0.09 6.67 1.79 -1.39 -1.72 116.57 121.58 1iou h LYS 96 Ca -0.01 -0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.48 1iou h LYS 96 Cb 0.08 -0.07 -0.05 0.00 -1.58 0.00 0.00 32.23 30.61 1iou h LYS 96 CO 0.02 0.21 -0.23 0.97 -1.08 0.00 0.00 179.45 179.34 1iou h ILE 97 N 0.33 0.45 0.44 1.86 2.10 -1.39 1.43 117.51 122.72 1iou h ILE 97 Ca 0.24 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 66.17 1iou h ILE 97 Cb 0.27 0.45 -0.02 0.00 -1.09 0.00 0.00 36.82 36.43 1iou h ILE 97 CO -0.26 0.00 -0.45 -0.07 -1.08 0.00 0.00 178.15 176.29 1iou h LEU 98 N -0.32 -1.22 -2.25 2.19 -0.00 -1.13 0.30 115.31 112.88 1iou h LEU 98 Ca 0.09 0.10 -0.01 0.00 -0.00 0.00 0.00 57.88 58.06 1iou h LEU 98 Cb 0.44 0.41 -0.00 0.00 -0.00 0.00 0.00 40.66 41.51 1iou h LEU 98 CO -0.27 -0.60 -0.04 0.44 -0.00 0.00 0.00 178.44 177.98 1iou h ASP 99 N -0.90 0.00 0.47 -0.43 5.19 -1.11 -0.45 116.42 119.19 1iou h ASP 99 Ca -0.04 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.34 1iou h ASP 99 Cb 0.79 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.31 1iou h ASP 99 CO -0.07 0.04 -0.23 -0.08 -3.12 0.00 0.00 179.24 175.78 1iou h GLU 100 N 0.00 -0.61 -0.02 3.56 4.57 0.32 -0.97 114.58 121.42 1iou h GLU 100 Ca -0.00 0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.23 1iou h GLU 100 Cb 0.09 0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.81 1iou h GLU 100 CO 0.00 -0.33 0.02 -0.92 -1.18 0.00 0.00 179.01 176.60 1iou h TYR 101 N -1.07 0.00 -0.37 0.92 5.03 -0.17 -0.74 116.97 120.57 1iou h TYR 101 Ca -0.07 0.00 -0.10 0.00 2.58 0.00 0.00 58.73 61.15 1iou h TYR 101 Cb 0.57 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.83 1iou h TYR 101 CO 0.01 0.00 -0.16 -0.07 -1.32 0.00 0.00 178.16 176.62 1iou h LEU 102 N 0.00 0.68 -0.09 2.82 4.07 -0.93 -3.23 115.31 118.62 1iou h LEU 102 Ca 0.01 -0.21 -0.06 0.00 0.08 0.00 0.00 57.88 57.70 1iou h LEU 102 Cb 0.05 -0.18 -0.00 0.00 1.08 0.00 0.00 40.66 41.61 1iou h LEU 102 CO -0.00 0.85 -0.16 0.58 -1.08 0.00 0.00 178.44 178.63 1iou h VAL 103 N 0.61 1.39 -0.27 1.22 2.07 0.28 -3.12 116.25 118.42 1iou h VAL 103 Ca 0.10 -1.42 0.08 0.00 0.82 0.00 0.00 66.70 66.28 1iou h VAL 103 Cb 0.62 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 1iou h VAL 103 CO 0.04 0.40 0.84 0.00 0.02 0.00 0.00 177.57 178.88 1iou h ALA 104 N 0.52 2.08 -1.51 1.67 0.00 -1.51 -3.38 119.26 117.12 1iou h ALA 104 Ca 0.01 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.01 1iou h ALA 104 Cb 0.73 0.02 -0.27 0.00 0.00 0.00 0.00 17.79 18.27 1iou h ALA 104 CO 0.04 -0.98 0.43 -3.38 0.00 0.00 0.00 179.25 175.36 1iou s HIS 105 N -4.18 -0.51 0.27 0.00 0.00 -1.18 -5.12 115.29 104.57 1iou s HIS 105 Ca -0.02 1.07 -0.10 0.00 -3.00 0.00 0.00 55.06 53.01 1iou s HIS 105 Cb 0.07 0.34 -0.08 0.00 -4.00 0.00 0.00 32.58 28.91 1iou s HIS 105 CO 0.22 -0.25 -0.07 -2.30 -1.00 0.00 0.00 174.74 171.35 1iou n PRO 106 N 3.26 0.00 -0.22 -0.38 -0.02 -1.25 -4.57 135.00 131.83 1iou n PRO 106 Ca -0.17 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.25 1iou n PRO 106 Cb 0.57 -0.54 -0.00 0.00 -0.02 0.00 0.00 33.50 33.51 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 -0.00 -0.16 0.00 -0.52 2.10 -1.96 -1.01 116.57 115.01 1iou h LYS 107 Ca -0.22 0.01 -0.15 0.00 -2.00 0.00 0.00 60.65 58.29 1iou h LYS 107 Cb 0.79 0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 32.13 1iou h LYS 107 CO 0.23 -0.11 -0.70 1.49 -2.00 0.00 0.00 179.45 178.36 1iou h GLU 108 N -0.17 0.00 -0.80 0.07 4.81 -1.96 -3.17 114.58 113.37 1iou h GLU 108 Ca 0.23 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.63 1iou h GLU 108 Cb 0.56 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 29.79 1iou h GLU 108 CO -0.70 0.70 -0.08 1.49 -0.73 0.00 0.00 179.01 179.69 1iou h GLU 109 N 0.00 0.05 0.00 1.92 4.81 -1.46 -2.63 114.58 117.26 1iou h GLU 109 Ca -0.01 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1iou h GLU 109 Cb 1.46 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.82 1iou h GLU 109 CO 0.09 0.03 -0.22 0.11 -0.73 0.00 0.00 179.01 178.30 1iou h TRP 110 N 0.05 0.00 -5.02 0.92 5.08 -1.64 -3.46 115.95 111.88 1iou h TRP 110 Ca 0.42 0.00 -0.25 0.00 1.08 0.00 0.00 58.89 60.14 1iou h TRP 110 Cb 0.72 0.00 -0.15 0.00 -3.00 0.00 0.00 29.16 26.73 1iou h TRP 110 CO -0.52 0.76 -0.36 0.00 -1.28 0.00 0.00 178.44 177.04 1iou n ALA 111 N -2.84 -0.78 0.00 0.11 0.00 -0.99 0.15 120.51 116.15 1iou n ALA 111 Ca -0.11 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1iou n ALA 111 Cb 0.38 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.30 0.00 0.00 0.00 8.00 -1.26 -4.70 116.55 117.29 1iou n ASP 112 Ca 0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.55 1iou n ASP 112 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 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 0.00 0.00 -0.92 2.53 0.31 0.40 -4.51 118.33 116.13 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 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 -2.77 2.52 -2.24 -1.26 -4.83 114.28 105.70 1iou n THR 114 Ca 0.00 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.75 1iou n THR 114 Cb 0.00 -0.63 0.02 0.00 -2.10 0.00 0.00 70.33 67.62 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 -1.26 0.71 0.33 -0.78 -1.05 -1.26 -5.07 118.70 110.32 1iou s GLU 115 Ca 0.00 -0.64 0.03 0.00 -0.15 0.00 0.00 54.97 54.21 1iou s GLU 115 Cb 0.00 -0.02 -0.02 0.00 -0.44 0.00 0.00 34.13 33.65 1iou s GLU 115 CO 0.00 -0.89 0.34 0.99 0.95 0.00 0.00 175.26 176.66 1iou s THR 116 N 1.07 0.00 -0.16 1.83 2.01 -1.26 -5.10 115.64 114.03 1iou s THR 116 Ca 0.25 -1.84 -0.30 0.00 0.31 0.00 0.00 61.69 60.11 1iou s THR 116 Cb 0.04 -2.55 0.13 0.00 0.01 0.00 0.00 72.50 70.12 1iou s THR 116 CO -0.08 0.00 0.99 0.21 -0.69 0.00 0.00 174.62 175.05 1iou s ASN 117 N -3.31 -0.38 0.63 3.53 2.47 -0.66 -4.30 114.94 112.93 1iou s ASN 117 Ca 0.37 0.41 0.35 0.00 0.42 0.00 0.00 52.86 54.41 1iou s ASN 117 Cb 0.02 0.31 1.92 0.00 -1.45 0.00 0.00 41.25 42.04 1iou s ASN 117 CO 0.24 -0.35 2.08 -2.24 -3.72 0.00 0.00 177.10 173.11 1iou h ASP 118 N 2.57 0.00 1.01 -4.21 2.03 -1.80 0.25 116.42 116.27 1iou h ASP 118 Ca -0.18 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.06 1iou h ASP 118 Cb 1.16 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.65 1iou h ASP 118 CO 0.31 0.00 -0.24 0.00 -1.03 0.00 0.00 179.24 178.28 1iou h ALA 119 N 1.65 0.99 -0.06 4.15 0.00 -1.93 -3.20 119.26 120.86 1iou h ALA 119 Ca 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1iou h ALA 119 Cb 0.34 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1iou h ALA 119 CO 0.00 0.30 -0.02 -0.07 0.00 0.00 0.00 179.25 179.46 1iou h LEU 120 N 0.00 0.12 0.00 0.00 3.38 -0.86 -3.46 115.31 114.48 1iou h LEU 120 Ca -0.00 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1iou h LEU 120 Cb 0.81 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1iou h LEU 120 CO 0.03 0.49 0.00 1.17 0.09 0.00 0.00 178.44 180.22 1iou n LYS 121 N -4.81 0.00 -0.74 1.13 4.81 -1.21 -5.06 118.16 112.27 1iou n LYS 121 Ca -0.07 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.35 1iou n LYS 121 Cb 0.24 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.28 1iou n LYS 121 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 1iou n MET 122 N 0.00 0.04 0.10 1.64 1.56 -1.24 -4.89 117.12 114.32 1iou n MET 122 Ca 0.00 -0.21 0.20 0.00 -0.27 0.00 0.00 57.70 57.42 1iou n MET 122 Cb 0.00 0.45 0.71 0.00 2.15 0.00 0.00 33.22 36.53 1iou n MET 122 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 1iou h LYS 123 N 0.03 0.00 0.00 2.12 1.63 -1.98 -2.46 116.57 115.91 1iou h LYS 123 Ca -0.12 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.68 1iou h LYS 123 Cb 0.74 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.37 1iou h LYS 123 CO -0.06 0.00 0.00 1.04 -3.45 0.00 0.00 179.45 176.98 1iou n GLN 124 N -3.53 0.00 -0.11 1.90 3.00 -1.26 -1.05 117.38 116.33 1iou n GLN 124 Ca 0.07 0.31 0.27 0.00 -0.01 0.00 0.00 57.00 57.65 1iou n GLN 124 Cb 0.68 -1.25 0.72 0.00 0.00 0.00 0.00 30.24 30.39 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 0.00 0.44 1.08 -0.00 -1.86 0.37 115.31 115.33 1iou h LEU 125 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.86 1iou h LEU 125 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1iou h LEU 125 CO 0.00 0.00 -0.21 0.44 -0.00 0.00 0.00 178.44 178.67 1iou h ASP 126 N 0.00 -0.50 -0.24 0.17 3.32 -1.41 -0.93 116.42 116.84 1iou h ASP 126 Ca 0.37 -0.07 0.07 0.00 0.02 0.00 0.00 57.03 57.43 1iou h ASP 126 Cb 1.66 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 41.33 1iou h ASP 126 CO -0.00 -0.07 0.21 0.74 -1.72 0.00 0.00 179.24 178.40 1iou h THR 127 N -1.07 0.64 0.35 0.35 2.02 0.12 -2.12 112.91 113.21 1iou h THR 127 Ca -0.06 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 1iou h THR 127 Cb 0.53 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1iou h THR 127 CO 0.10 0.00 -0.17 1.88 0.37 0.00 0.00 175.52 177.70 1iou h TYR 128 N 0.00 -0.44 -0.92 3.16 -1.99 -0.89 -2.41 116.97 113.48 1iou h TYR 128 Ca 0.12 -0.01 0.27 0.00 2.00 0.00 0.00 58.73 61.10 1iou h TYR 128 Cb 0.54 0.15 -0.04 0.00 2.00 0.00 0.00 36.73 39.38 1iou h TYR 128 CO 0.00 -0.27 0.74 0.97 -0.00 0.00 0.00 178.16 179.60 1iou h ILE 129 N -1.12 0.39 0.02 -2.88 -0.00 -0.81 1.47 117.51 114.58 1iou h ILE 129 Ca -0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 64.86 64.81 1iou h ILE 129 Cb 0.36 0.46 0.00 0.00 -0.00 0.00 0.00 36.82 37.64 1iou h ILE 129 CO 0.08 0.00 -0.01 -1.28 -0.00 0.00 0.00 178.15 176.94 1iou h SER 130 N 0.00 -0.02 1.43 2.19 0.87 -1.39 -3.23 113.55 113.39 1iou h SER 130 Ca 0.44 -0.71 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 1iou h SER 130 Cb 1.92 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.89 1iou h SER 130 CO -0.00 0.72 -0.35 0.07 -0.53 0.00 0.00 176.83 176.73 1iou h LYS 131 N -0.78 0.00 0.00 2.24 5.09 -0.56 -3.29 116.57 119.26 1iou h LYS 131 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1iou h LYS 131 Cb 0.72 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.05 1iou h LYS 131 CO 0.00 0.00 0.00 0.66 -2.09 0.00 0.00 179.45 178.02 1iou n TYR 132 N -2.62 0.90 0.31 0.07 4.01 0.49 -3.67 117.16 116.65 1iou n TYR 132 Ca 0.03 0.27 0.14 0.00 -0.16 0.00 0.00 57.90 58.18 1iou n TYR 132 Cb 0.49 -0.93 0.72 0.00 -0.31 0.00 0.00 39.34 39.31 1iou n TYR 132 CO 0.00 0.00 0.00 -0.56 -0.46 0.00 0.00 176.86 175.84 1iou h GLN 133 N 0.00 0.00 -6.14 -0.72 -0.00 -1.63 -3.41 115.11 103.21 1iou h GLN 133 Ca 0.00 0.00 -0.56 0.00 -0.00 0.00 0.00 58.65 58.09 1iou h GLN 133 Cb 0.72 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 28.14 1iou h GLN 133 CO 0.00 0.00 -0.53 -0.51 -0.00 0.00 0.00 178.83 177.79 1iou s ASP 134 N -4.34 5.81 0.39 0.06 1.11 -1.24 -4.17 116.67 114.29 1iou s ASP 134 Ca -0.03 -0.03 0.19 0.00 0.18 0.00 0.00 52.55 52.86 1iou s ASP 134 Cb 0.08 -1.61 0.77 0.00 1.07 0.00 0.00 42.92 43.24 1iou s ASP 134 CO 0.27 0.06 1.78 1.55 1.18 0.00 0.00 175.17 180.01 1iou h PRO 135 N 2.29 0.00 -0.05 8.23 0.13 -1.91 -2.98 132.00 137.71 1iou h PRO 135 Ca -0.48 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.66 1iou h PRO 135 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1iou h PRO 135 CO 0.65 0.35 0.18 1.03 -0.23 0.00 0.00 178.00 179.98 1iou h SER 136 N 0.00 0.00 -3.77 1.44 0.87 -1.93 -3.45 113.55 106.71 1iou h SER 136 Ca -0.00 0.00 -0.41 0.00 -1.23 0.00 0.00 61.79 60.15 1iou h SER 136 Cb 0.80 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.79 1iou h SER 136 CO 0.05 0.00 -0.57 0.00 -0.53 0.00 0.00 176.83 175.77 1iou n GLN 137 N -3.18 -3.46 -3.01 2.24 6.02 -1.13 -0.65 117.38 114.20 1iou n GLN 137 Ca -0.01 0.95 -0.04 0.00 -0.01 0.00 0.00 57.00 57.89 1iou n GLN 137 Cb 0.26 -5.71 0.00 0.00 1.02 0.00 0.00 30.24 25.81 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 -2.87 -2.68 -3.47 -1.58 0.00 -1.26 -3.83 120.51 104.82 1iou n ALA 138 Ca -0.17 0.40 -0.18 0.00 0.00 0.00 0.00 53.44 53.48 1iou n ALA 138 Cb 0.65 -2.27 0.07 0.00 0.00 0.00 0.00 19.45 17.90 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 -1.28 -2.84 0.00 0.00 -0.08 -1.21 -5.17 116.55 105.97 1iou n ASP 139 Ca 0.03 -0.70 0.00 0.00 -1.51 0.00 0.00 54.79 52.61 1iou n ASP 139 Cb 0.49 -4.81 0.00 0.00 2.34 0.00 0.00 41.12 39.15 1iou n ASP 139 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32