#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 0.46 0.59 0.03 0.52 -1.26 -3.30 118.95 115.99 1iou s ARG 2 Ca 0.00 1.02 -0.17 0.00 -0.52 0.00 0.00 55.73 56.06 1iou s ARG 2 Cb 0.00 0.20 -0.04 0.00 0.52 0.00 0.00 34.95 35.63 1iou s ARG 2 CO 0.00 -0.19 1.08 -1.50 0.02 0.00 0.00 175.30 174.71 1iou s ILE 3 N 1.93 3.57 0.00 1.52 2.07 -1.25 -2.52 121.20 126.52 1iou s ILE 3 Ca -0.07 0.80 0.00 0.00 -1.41 0.00 0.00 60.65 59.97 1iou s ILE 3 Cb -0.09 -3.31 0.00 0.00 0.13 0.00 0.00 42.46 39.19 1iou s ILE 3 CO -0.15 -0.38 0.00 -1.22 -1.91 0.00 0.00 174.94 171.28 1iou n TYR 4 N -1.87 0.00 -4.17 3.50 4.01 -0.97 -4.76 117.16 112.91 1iou n TYR 4 Ca 0.10 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.70 1iou n TYR 4 Cb 0.52 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.45 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 -2.00 1.00 0.16 -0.72 6.14 0.12 0.24 117.35 122.28 1iou s TYR 5 Ca 0.00 -0.72 -0.19 0.00 0.64 0.00 0.00 57.07 56.80 1iou s TYR 5 Cb 0.00 -0.55 0.05 0.00 0.42 0.00 0.00 41.96 41.88 1iou s TYR 5 CO 0.00 -0.04 0.52 0.42 0.64 0.00 0.00 175.55 177.09 1iou s ILE 6 N -2.73 0.03 -5.00 3.14 1.01 0.58 0.48 121.20 118.71 1iou s ILE 6 Ca 0.07 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.31 1iou s ILE 6 Cb -0.01 -1.22 0.00 0.00 0.01 0.00 0.00 42.46 41.24 1iou s ILE 6 CO -0.01 -0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.40 1iou n GLY 7 N -0.32 -1.16 3.34 6.18 0.00 0.50 0.23 105.19 113.96 1iou n GLY 7 Ca -0.15 -1.29 -0.18 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.92 1.40 -0.20 1.61 1.01 0.17 -0.91 120.40 120.58 1iou s VAL 8 Ca 0.00 -2.11 -0.05 0.00 0.00 0.00 0.00 61.98 59.82 1iou s VAL 8 Cb 0.00 -2.19 0.10 0.00 0.00 0.00 0.00 36.38 34.29 1iou s VAL 8 CO 0.00 -0.48 0.38 -0.36 0.00 0.00 0.00 175.10 174.64 1iou s PHE 9 N -3.18 -0.73 -0.34 5.22 0.40 0.36 -0.94 117.98 118.77 1iou s PHE 9 Ca 0.25 1.20 -0.29 0.00 -0.60 0.00 0.00 56.93 57.49 1iou s PHE 9 Cb 0.03 0.15 0.01 0.00 0.51 0.00 0.00 43.02 43.72 1iou s PHE 9 CO 0.07 -0.53 1.23 0.50 0.70 0.00 0.00 175.22 177.19 1iou s ARG 10 N 2.55 3.89 -0.51 0.44 3.00 -1.02 -1.47 118.95 125.84 1iou s ARG 10 Ca 0.03 1.07 -0.31 0.00 -1.00 0.00 0.00 55.73 55.52 1iou s ARG 10 Cb -0.13 -3.86 -0.12 0.00 0.00 0.00 0.00 34.95 30.84 1iou s ARG 10 CO -0.13 -1.14 2.37 0.43 0.00 0.00 0.00 175.30 176.82 1iou n SER 11 N 7.57 1.92 -1.29 -2.12 7.64 -1.26 -0.16 113.62 125.93 1iou n SER 11 Ca 0.14 0.05 0.00 0.00 1.01 0.00 0.00 58.87 60.07 1iou n SER 11 Cb 0.47 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.35 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 6.31 1.28 0.01 0.23 0.00 -0.68 -4.88 105.19 107.46 1iou n GLY 12 Ca 0.44 -1.60 -0.01 0.00 0.00 0.00 0.00 46.02 44.85 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 5.00 -0.50 0.15 -0.02 0.00 -1.26 -4.67 105.19 103.89 1iou n GLY 13 Ca 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.14 0.00 0.00 1.61 4.81 -2.00 -3.48 114.58 115.39 1iou h GLU 14 Ca 0.00 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1iou h GLU 14 Cb 0.13 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 1iou h GLU 14 CO 0.00 0.55 0.06 0.36 -0.73 0.00 0.00 179.01 179.25 1iou n LYS 15 N -3.57 0.15 -2.84 1.92 0.00 -1.26 -5.06 118.16 107.50 1iou n LYS 15 Ca -0.00 -0.31 -0.33 0.00 -0.00 0.00 0.00 58.31 57.67 1iou n LYS 15 Cb 0.62 0.39 -0.07 0.00 -0.00 0.00 0.00 35.03 35.98 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 -1.17 3.07 0.11 0.58 0.00 -1.18 -1.69 121.76 121.48 1iou s ALA 16 Ca 0.03 0.38 -0.14 0.00 0.00 0.00 0.00 51.96 52.23 1iou s ALA 16 Cb -0.01 -3.12 -0.06 0.00 0.00 0.00 0.00 23.12 19.93 1iou s ALA 16 CO 0.01 0.15 0.50 -1.17 0.00 0.00 0.00 175.76 175.25 1iou s LEU 17 N -3.10 4.37 -0.93 0.00 0.20 0.77 -4.78 118.68 115.23 1iou s LEU 17 Ca 0.61 1.01 -0.20 0.00 0.69 0.00 0.00 54.13 56.23 1iou s LEU 17 Cb -0.10 -3.09 -0.11 0.00 -0.43 0.00 0.00 46.19 42.46 1iou s LEU 17 CO 0.14 0.16 1.99 -1.84 -0.29 0.00 0.00 176.35 176.51 1iou n GLU 18 N 1.02 1.80 0.00 1.98 0.28 -1.26 -2.43 120.64 122.03 1iou n GLU 18 Ca -0.07 -2.03 0.00 0.00 -0.16 0.00 0.00 57.16 54.90 1iou n GLU 18 Cb 0.52 -3.01 0.00 0.00 1.43 0.00 0.00 31.44 30.37 1iou n GLU 18 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1iou n LEU 19 N 7.30 0.04 -4.27 -1.84 7.94 -1.04 -4.81 117.00 120.32 1iou n LEU 19 Ca 0.50 0.70 -0.28 0.00 -1.11 0.00 0.00 56.01 55.82 1iou n LEU 19 Cb 0.40 -0.21 -0.15 0.00 0.53 0.00 0.00 43.42 43.99 1iou n LEU 19 CO 1.00 -0.21 -0.54 -0.55 -1.11 0.00 0.00 177.39 175.98 1iou s SER 20 N -2.00 2.69 -0.16 1.96 0.15 -0.11 -3.16 113.70 113.07 1iou s SER 20 Ca 0.00 -0.46 -0.04 0.00 0.70 0.00 0.00 55.95 56.15 1iou s SER 20 Cb 0.00 -0.27 0.05 0.00 -1.71 0.00 0.00 66.02 64.09 1iou s SER 20 CO 0.00 0.25 0.06 -0.70 1.20 0.00 0.00 173.24 174.05 1iou s GLU 21 N -0.78 0.33 -0.06 5.44 2.12 -1.26 -0.65 118.70 123.84 1iou s GLU 21 Ca 0.09 -0.15 0.03 0.00 0.36 0.00 0.00 54.97 55.30 1iou s GLU 21 Cb -0.09 -1.73 0.00 0.00 0.26 0.00 0.00 34.13 32.58 1iou s GLU 21 CO 0.00 -0.59 -0.15 0.54 -0.54 0.00 0.00 175.26 174.53 1iou s VAL 22 N 2.02 1.28 0.37 3.70 0.11 0.14 -4.93 120.40 123.09 1iou s VAL 22 Ca 0.01 -0.60 0.08 0.00 -2.93 0.00 0.00 61.98 58.55 1iou s VAL 22 Cb -0.16 -1.13 -0.06 0.00 -1.53 0.00 0.00 36.38 33.51 1iou s VAL 22 CO -0.08 0.38 0.08 -0.54 -3.33 0.00 0.00 175.10 171.61 1iou s LYS 23 N 0.35 2.13 -0.21 1.54 1.02 -1.26 -0.31 119.74 123.00 1iou s LYS 23 Ca -0.10 -1.81 -0.04 0.00 0.02 0.00 0.00 55.97 54.04 1iou s LYS 23 Cb -0.14 -1.93 0.08 0.00 -0.52 0.00 0.00 37.83 35.33 1iou s LYS 23 CO 0.03 0.03 0.15 0.34 -0.92 0.00 0.00 175.35 174.98 1iou s ASP 24 N -3.79 2.24 -1.00 2.83 -1.08 0.65 -4.91 116.67 111.61 1iou s ASP 24 Ca 0.37 -0.64 -0.02 0.00 -0.52 0.00 0.00 52.55 51.73 1iou s ASP 24 Cb 0.02 -0.02 0.30 0.00 -1.46 0.00 0.00 42.92 41.76 1iou s ASP 24 CO 0.20 -0.36 1.33 0.18 0.52 0.00 0.00 175.17 177.04 1iou n LEU 25 N 5.29 5.90 0.00 -1.34 7.99 -1.26 -4.64 117.00 128.93 1iou n LEU 25 Ca -0.06 -5.25 0.00 0.00 -0.01 0.00 0.00 56.01 50.69 1iou n LEU 25 Cb 0.48 -1.17 0.00 0.00 -0.11 0.00 0.00 43.42 42.61 1iou n LEU 25 CO 0.07 1.74 0.35 -0.24 -1.51 0.00 0.00 177.39 177.81 1iou n SER 26 N 1.31 0.00 0.08 -1.43 2.88 -1.26 -4.02 113.62 111.18 1iou n SER 26 Ca 0.26 0.71 0.04 0.00 -1.33 0.00 0.00 58.87 58.55 1iou n SER 26 Cb 0.35 -0.21 -0.03 0.00 -0.75 0.00 0.00 64.21 63.57 1iou n SER 26 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1iou h GLN 27 N 0.00 0.00 -7.11 -1.46 1.08 -2.01 -3.47 115.11 102.15 1iou h GLN 27 Ca 0.00 0.00 -0.43 0.00 -1.45 0.00 0.00 58.65 56.77 1iou h GLN 27 Cb 0.00 0.00 0.22 0.00 -0.05 0.00 0.00 27.48 27.65 1iou h GLN 27 CO 0.00 0.22 -0.03 -0.06 -0.95 0.00 0.00 178.83 178.01 1iou s PHE 28 N -3.08 1.10 0.00 2.96 0.08 -1.26 -5.00 117.98 112.79 1iou s PHE 28 Ca -0.01 1.11 0.00 0.00 0.12 0.00 0.00 56.93 58.16 1iou s PHE 28 Cb 0.09 -3.05 0.00 0.00 -0.57 0.00 0.00 43.02 39.49 1iou s PHE 28 CO 0.79 -4.15 0.00 0.41 -0.10 0.00 0.00 175.22 172.16 1iou n GLY 29 N 1.08 1.53 0.31 4.36 0.00 -1.26 -4.69 105.19 106.51 1iou n GLY 29 Ca 0.03 -0.16 0.10 0.00 0.00 0.00 0.00 46.02 45.99 1iou n GLY 29 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1iou h PHE 30 N 0.00 0.02 -0.32 1.61 3.57 -1.98 1.45 116.94 121.28 1iou h PHE 30 Ca 0.00 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1iou h PHE 30 Cb 0.00 0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.87 1iou h PHE 30 CO 0.00 -0.31 0.00 1.19 -2.23 0.00 0.00 178.31 176.96 1iou n PHE 31 N -5.38 0.69 0.00 0.41 3.72 -1.26 -4.49 117.46 111.15 1iou n PHE 31 Ca 0.19 -0.66 0.00 0.00 -0.05 0.00 0.00 57.45 56.93 1iou n PHE 31 Cb 0.61 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 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 0.10 0.26 -0.13 -1.08 1.02 -0.29 -4.58 120.64 115.95 1iou n GLU 32 Ca 0.16 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.33 1iou n GLU 32 Cb 0.63 -0.79 0.33 0.00 -0.02 0.00 0.00 31.44 31.59 1iou n GLU 32 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1iou h ARG 33 N 0.00 0.77 0.51 3.49 2.43 0.17 0.64 114.38 122.40 1iou h ARG 33 Ca 0.00 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1iou h ARG 33 Cb 0.58 -0.17 0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1iou h ARG 33 CO 0.00 0.51 -0.25 1.03 -1.51 0.00 0.00 179.97 179.76 1iou h SER 34 N 0.80 -0.58 0.52 -3.80 0.87 -1.79 0.16 113.55 109.72 1iou h SER 34 Ca 0.23 -0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.72 1iou h SER 34 Cb -0.03 0.15 0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1iou h SER 34 CO -0.06 -0.19 -0.25 0.28 -0.53 0.00 0.00 176.83 176.08 1iou h SER 35 N -1.07 -0.59 0.09 6.23 0.02 -1.76 -2.52 113.55 113.96 1iou h SER 35 Ca -0.07 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1iou h SER 35 Cb 0.60 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.29 1iou h SER 35 CO 0.12 -0.31 -0.04 0.58 -1.14 0.00 0.00 176.83 176.03 1iou h VAL 36 N -0.84 0.92 -0.40 2.27 2.07 0.17 -0.62 116.25 119.81 1iou h VAL 36 Ca -0.07 -0.01 0.08 0.00 0.82 0.00 0.00 66.70 67.51 1iou h VAL 36 Cb 0.59 0.93 -0.09 0.00 -1.52 0.00 0.00 31.29 31.20 1iou h VAL 36 CO 0.12 0.00 -0.37 1.23 0.02 0.00 0.00 177.57 178.57 1iou h GLY 37 N -0.12 -0.38 1.58 2.17 0.00 -0.72 0.84 103.07 106.44 1iou h GLY 37 Ca -0.01 0.47 0.03 0.00 0.00 0.00 0.00 47.33 47.82 1iou h GLY 37 CO 0.02 -0.20 0.22 1.46 0.00 0.00 0.00 176.54 178.04 1iou h GLN 38 N -0.29 0.33 -0.44 4.80 4.20 -1.36 -0.57 115.11 121.78 1iou h GLN 38 Ca 0.16 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 1iou h GLN 38 Cb 0.56 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 1iou h GLN 38 CO -0.55 0.22 0.24 0.35 -0.67 0.00 0.00 178.83 178.41 1iou h PHE 39 N 0.34 0.61 0.91 2.96 3.57 0.20 -0.84 116.94 124.69 1iou h PHE 39 Ca 0.13 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 1iou h PHE 39 Cb 0.12 -0.19 0.01 0.00 2.79 0.00 0.00 35.95 38.67 1iou h PHE 39 CO -0.00 0.46 -0.44 0.52 -2.23 0.00 0.00 178.31 176.63 1iou h MET 40 N 0.58 -1.18 0.42 1.11 2.86 0.17 -2.37 114.93 116.52 1iou h MET 40 Ca 0.16 0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.87 1iou h MET 40 Cb 0.06 0.27 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 1iou h MET 40 CO -0.02 -0.78 -0.52 1.15 1.06 0.00 0.00 176.91 177.80 1iou h THR 41 N -1.29 0.00 -0.96 2.22 2.02 -1.38 0.43 112.91 113.95 1iou h THR 41 Ca -0.12 0.00 0.30 0.00 0.77 0.00 0.00 66.41 67.36 1iou h THR 41 Cb 0.94 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 67.19 1iou h THR 41 CO 0.20 0.00 0.35 0.15 0.37 0.00 0.00 175.52 176.59 1iou h PHE 42 N -0.96 0.53 -0.09 3.16 3.04 -1.23 1.29 116.94 122.67 1iou h PHE 42 Ca -0.05 0.05 -0.19 0.00 3.98 0.00 0.00 57.97 61.76 1iou h PHE 42 Cb 0.86 -0.08 -0.00 0.00 2.56 0.00 0.00 35.95 39.29 1iou h PHE 42 CO -0.30 -0.30 -0.72 0.74 -2.02 0.00 0.00 178.31 175.71 1iou h PHE 43 N 0.16 0.61 -0.15 0.41 -1.00 -0.82 -2.29 116.94 113.85 1iou h PHE 43 Ca 0.67 -0.26 -0.15 0.00 2.81 0.00 0.00 57.97 61.04 1iou h PHE 43 Cb 1.51 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 40.97 1iou h PHE 43 CO -0.19 1.02 -0.53 0.00 -1.61 0.00 0.00 178.31 177.01 1iou h ALA 44 N 0.91 0.81 -0.16 2.45 0.00 0.58 -1.95 119.26 121.91 1iou h ALA 44 Ca -0.03 -0.50 -0.19 0.00 0.00 0.00 0.00 54.91 54.19 1iou h ALA 44 Cb 1.29 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1iou h ALA 44 CO 0.13 0.68 -0.67 1.05 0.00 0.00 0.00 179.25 180.44 1iou h GLU 45 N 0.33 0.62 0.49 0.00 4.11 0.74 -2.80 114.58 118.08 1iou h GLU 45 Ca 0.01 -0.46 -0.02 0.00 0.07 0.00 0.00 59.36 58.96 1iou h GLU 45 Cb 1.03 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1iou h GLU 45 CO 0.09 1.08 -0.24 1.15 0.07 0.00 0.00 179.01 181.17 1iou h THR 46 N 0.45 0.51 -0.21 -1.06 2.02 -1.30 -0.91 112.91 112.41 1iou h THR 46 Ca -0.02 -0.13 0.03 0.00 0.77 0.00 0.00 66.41 67.06 1iou h THR 46 Cb 1.26 0.57 -0.06 0.00 -1.74 0.00 0.00 68.15 68.18 1iou h THR 46 CO 0.13 0.02 -0.43 -0.37 0.37 0.00 0.00 175.52 175.25 1iou h VAL 47 N -0.74 0.00 -0.66 3.16 -1.51 -1.38 1.81 116.25 116.93 1iou h VAL 47 Ca -0.07 0.00 0.19 0.00 -1.23 0.00 0.00 66.70 65.59 1iou h VAL 47 Cb 0.54 0.00 -0.03 0.00 -2.13 0.00 0.00 31.29 29.68 1iou h VAL 47 CO 0.11 0.00 0.50 0.00 -1.23 0.00 0.00 177.57 176.95 1iou h ALA 48 N -0.45 2.59 -0.08 5.19 0.00 -1.51 1.22 119.26 126.24 1iou h ALA 48 Ca 0.04 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.68 1iou h ALA 48 Cb 0.49 0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.35 1iou h ALA 48 CO -0.40 -0.84 -0.91 1.03 0.00 0.00 0.00 179.25 178.13 1iou h SER 49 N 0.00 0.92 0.12 0.00 0.87 0.17 -3.10 113.55 112.53 1iou h SER 49 Ca 0.32 -0.67 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 1iou h SER 49 Cb 1.31 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 1iou h SER 49 CO -0.00 1.47 -0.06 -2.11 -0.53 0.00 0.00 176.83 175.60 1iou n ARG 50 N -3.89 1.15 -3.04 2.24 1.85 0.55 -4.71 116.66 110.81 1iou n ARG 50 Ca -0.09 -0.49 -0.43 0.00 -1.00 0.00 0.00 57.85 55.84 1iou n ARG 50 Cb 0.81 -1.49 -0.06 0.00 -1.05 0.00 0.00 32.46 30.68 1iou n ARG 50 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1iou s THR 51 N -2.19 4.72 -0.14 8.89 2.01 0.37 -4.93 115.64 124.37 1iou s THR 51 Ca 0.36 -0.01 -0.00 0.00 0.31 0.00 0.00 61.69 62.35 1iou s THR 51 Cb 0.21 -4.33 0.11 0.00 0.01 0.00 0.00 72.50 68.50 1iou s THR 51 CO 0.40 -0.80 1.85 0.61 -0.69 0.00 0.00 174.62 175.99 1iou n GLY 52 N 5.09 3.13 1.84 4.40 0.00 -1.26 -4.92 105.19 113.47 1iou n GLY 52 Ca -0.02 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 0.79 -2.01 -0.97 4.61 0.00 -1.26 -4.68 120.51 116.99 1iou n ALA 53 Ca 0.14 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.07 1iou n ALA 53 Cb 0.58 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 0.01 0.97 2.95 0.00 0.00 -1.26 -4.99 105.19 102.88 1iou n GLY 54 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.04 1.63 0.33 1.61 0.41 -1.26 -5.00 118.70 116.38 1iou s GLU 55 Ca 0.00 -0.32 -0.19 0.00 -0.41 0.00 0.00 54.97 54.05 1iou s GLU 55 Cb 0.00 -1.57 -0.09 0.00 -1.78 0.00 0.00 34.13 30.69 1iou s GLU 55 CO 0.00 -0.18 0.81 1.03 -0.49 0.00 0.00 175.26 176.43 1iou s ARG 56 N 1.39 4.18 0.24 1.61 0.52 -1.26 -4.36 118.95 121.28 1iou s ARG 56 Ca -0.01 0.90 0.09 0.00 -0.52 0.00 0.00 55.73 56.19 1iou s ARG 56 Cb -0.13 -2.49 -0.05 0.00 0.52 0.00 0.00 34.95 32.79 1iou s ARG 56 CO -0.05 0.17 -0.14 -0.65 0.02 0.00 0.00 175.30 174.65 1iou s GLN 57 N -2.73 1.48 -0.28 3.54 -1.52 -0.72 -4.92 119.66 114.50 1iou s GLN 57 Ca 0.54 -1.68 0.01 0.00 -1.95 0.00 0.00 55.36 52.27 1iou s GLN 57 Cb -0.12 -1.32 0.16 0.00 -0.22 0.00 0.00 33.01 31.51 1iou s GLN 57 CO 0.18 0.20 0.43 0.45 -0.25 0.00 0.00 175.29 176.29 1iou s SER 58 N -3.40 0.07 -0.59 5.90 0.15 -1.23 0.12 113.70 114.72 1iou s SER 58 Ca 0.26 -0.13 -0.24 0.00 0.70 0.00 0.00 55.95 56.54 1iou s SER 58 Cb -0.01 1.25 0.05 0.00 -1.71 0.00 0.00 66.02 65.61 1iou s SER 58 CO 0.10 -0.33 0.95 -0.63 1.20 0.00 0.00 173.24 174.53 1iou s ILE 59 N 2.59 4.36 -0.51 6.45 1.01 -0.86 -4.74 121.20 129.49 1iou s ILE 59 Ca 0.11 0.04 -0.29 0.00 0.00 0.00 0.00 60.65 60.52 1iou s ILE 59 Cb -0.13 -4.59 0.03 0.00 0.01 0.00 0.00 42.46 37.78 1iou s ILE 59 CO -0.26 -1.25 1.15 -1.61 0.00 0.00 0.00 174.94 172.97 1iou s GLU 60 N 4.01 3.64 0.47 2.79 8.01 -1.26 -0.87 118.70 135.50 1iou s GLU 60 Ca 0.27 0.44 0.08 0.00 0.01 0.00 0.00 54.97 55.77 1iou s GLU 60 Cb -0.14 -3.95 0.02 0.00 -4.31 0.00 0.00 34.13 25.75 1iou s GLU 60 CO 0.16 -1.49 0.53 -1.21 0.01 0.00 0.00 175.26 173.26 1iou s GLU 61 N 4.61 2.52 0.56 1.61 2.02 -0.29 -4.94 118.70 124.79 1iou s GLU 61 Ca 0.46 -1.55 0.48 0.00 0.02 0.00 0.00 54.97 54.37 1iou s GLU 61 Cb -0.07 -2.50 1.66 0.00 0.10 0.00 0.00 34.13 33.32 1iou s GLU 61 CO 0.30 -0.44 1.57 0.78 0.02 0.00 0.00 175.26 177.49 1iou h GLY 62 N 0.68 0.00 -4.69 -1.39 0.00 -2.04 -2.89 103.07 92.74 1iou h GLY 62 Ca -0.38 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.81 1iou h GLY 62 CO 0.50 0.00 -0.22 -2.01 0.00 0.00 0.00 176.54 174.81 1iou n ASN 63 N -3.90 -1.28 -3.30 0.19 5.15 -1.26 -5.11 115.26 105.76 1iou n ASN 63 Ca 0.41 -2.04 -0.12 0.00 -0.60 0.00 0.00 54.58 52.23 1iou n ASN 63 Cb 1.92 0.62 -0.02 0.00 -0.53 0.00 0.00 39.78 41.77 1iou n ASN 63 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 1iou s TYR 64 N 0.11 0.64 -0.25 1.20 1.51 -1.09 -4.51 117.35 114.96 1iou s TYR 64 Ca 0.09 -1.03 -0.03 0.00 -1.01 0.00 0.00 57.07 55.09 1iou s TYR 64 Cb 0.37 0.25 0.14 0.00 -0.11 0.00 0.00 41.96 42.61 1iou s TYR 64 CO -0.10 -1.24 0.43 0.42 -1.11 0.00 0.00 175.55 173.95 1iou s ILE 65 N -3.03 -0.69 -1.11 2.71 1.01 0.68 -1.14 121.20 119.63 1iou s ILE 65 Ca 0.24 -0.03 -0.15 0.00 0.00 0.00 0.00 60.65 60.70 1iou s ILE 65 Cb -0.02 -0.84 0.16 0.00 0.01 0.00 0.00 42.46 41.77 1iou s ILE 65 CO 0.15 -0.08 1.32 -0.83 0.00 0.00 0.00 174.94 175.51 1iou s GLY 66 N 2.62 2.26 0.78 6.18 0.00 -0.04 0.30 107.32 119.42 1iou s GLY 66 Ca 0.13 -3.17 -0.14 0.00 0.00 0.00 0.00 44.72 41.54 1iou s GLY 66 CO -0.17 2.03 1.22 0.30 0.00 0.00 0.00 173.10 176.48 1iou s HIS 67 N 1.91 1.86 -0.17 1.90 3.76 0.35 -2.04 115.29 122.86 1iou s HIS 67 Ca 0.39 1.64 -0.16 0.00 -0.15 0.00 0.00 55.06 56.78 1iou s HIS 67 Cb -0.04 -3.51 0.04 0.00 1.11 0.00 0.00 32.58 30.19 1iou s HIS 67 CO -0.03 -2.84 0.46 0.08 -0.85 0.00 0.00 174.74 171.55 1iou s VAL 68 N -2.04 0.00 -0.17 -0.90 1.01 0.31 -1.34 120.40 117.28 1iou s VAL 68 Ca 0.74 -0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.67 1iou s VAL 68 Cb -0.30 -0.64 0.07 0.00 0.00 0.00 0.00 36.38 35.51 1iou s VAL 68 CO 0.49 -0.01 0.15 -0.31 0.00 0.00 0.00 175.10 175.42 1iou s TYR 69 N 0.17 -0.04 0.25 5.22 1.51 -0.87 -1.76 117.35 121.85 1iou s TYR 69 Ca -0.01 0.02 -0.11 0.00 -1.01 0.00 0.00 57.07 55.97 1iou s TYR 69 Cb -0.03 -0.51 -0.07 0.00 -0.11 0.00 0.00 41.96 41.24 1iou s TYR 69 CO 0.01 -0.50 0.59 0.00 -1.11 0.00 0.00 175.55 174.54 1iou s ALA 70 N 2.23 3.51 0.65 3.71 0.00 -1.26 -2.34 121.76 128.26 1iou s ALA 70 Ca 0.04 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 51.80 1iou s ALA 70 Cb -0.15 -2.51 0.11 0.00 0.00 0.00 0.00 23.12 20.58 1iou s ALA 70 CO -0.10 0.45 0.81 2.89 0.00 0.00 0.00 175.76 179.82 1iou n ARG 71 N -0.24 0.12 -0.14 0.00 -4.01 -1.26 -4.41 116.66 106.73 1iou n ARG 71 Ca 0.01 -2.36 -0.05 0.00 -1.04 0.00 0.00 57.85 54.41 1iou n ARG 71 Cb 0.53 -0.49 0.01 0.00 -3.04 0.00 0.00 32.46 29.46 1iou n ARG 71 CO 0.00 0.00 0.00 1.03 -3.04 0.00 0.00 177.63 175.62 1iou h SER 72 N -0.39 -0.83 -0.13 2.89 0.87 -1.99 -3.36 113.55 110.61 1iou h SER 72 Ca -0.27 0.18 0.25 0.00 -1.23 0.00 0.00 61.79 60.72 1iou h SER 72 Cb 1.04 0.43 -0.18 0.00 -0.44 0.00 0.00 62.40 63.24 1iou h SER 72 CO 0.30 -0.26 0.05 -0.70 -0.53 0.00 0.00 176.83 175.69 1iou s GLU 73 N -6.10 0.07 0.00 2.24 2.12 -1.26 -4.83 118.70 110.95 1iou s GLU 73 Ca -0.14 0.07 0.00 0.00 0.36 0.00 0.00 54.97 55.26 1iou s GLU 73 Cb 0.15 0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.57 1iou s GLU 73 CO 0.70 -0.14 0.00 0.41 -0.54 0.00 0.00 175.26 175.69 1iou n GLY 74 N 5.06 -1.54 3.07 -1.50 0.00 -1.26 -4.61 105.19 104.41 1iou n GLY 74 Ca 0.10 0.59 -0.31 0.00 0.00 0.00 0.00 46.02 46.40 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 0.00 1.77 0.40 -0.61 -0.00 -1.26 -2.99 121.20 118.51 1iou s ILE 75 Ca 0.00 -0.77 -0.05 0.00 -0.00 0.00 0.00 60.65 59.84 1iou s ILE 75 Cb 0.00 -1.62 -0.04 0.00 -0.00 0.00 0.00 42.46 40.79 1iou s ILE 75 CO 0.00 0.49 0.68 0.00 -0.00 0.00 0.00 174.94 176.11 1iou s GLY 77 N -3.73 1.55 -0.03 0.00 0.00 -0.99 0.14 107.32 104.26 1iou s GLY 77 Ca 0.46 -1.31 0.04 0.00 0.00 0.00 0.00 44.72 43.90 1iou s GLY 77 CO 0.38 -1.24 -0.14 0.14 0.00 0.00 0.00 173.10 172.24 1iou s VAL 78 N -0.97 1.18 -0.06 1.40 1.01 -0.08 -2.05 120.40 120.84 1iou s VAL 78 Ca 0.14 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 1iou s VAL 78 Cb -0.10 -1.02 0.03 0.00 0.00 0.00 0.00 36.38 35.28 1iou s VAL 78 CO 0.06 0.35 0.01 -1.48 0.00 0.00 0.00 175.10 174.03 1iou s LEU 79 N 0.01 0.68 -0.19 3.92 0.05 -0.45 -0.37 118.68 122.33 1iou s LEU 79 Ca -0.02 -0.05 -0.05 0.00 0.05 0.00 0.00 54.13 54.06 1iou s LEU 79 Cb -0.10 -0.35 -0.03 0.00 -2.05 0.00 0.00 46.19 43.67 1iou s LEU 79 CO 0.01 -0.17 0.01 -0.63 -0.55 0.00 0.00 176.35 175.02 1iou s ILE 80 N 1.74 4.16 0.13 1.48 1.01 0.18 0.13 121.20 130.02 1iou s ILE 80 Ca 0.01 -0.25 0.03 0.00 0.00 0.00 0.00 60.65 60.44 1iou s ILE 80 Cb -0.13 -2.87 -0.01 0.00 0.01 0.00 0.00 42.46 39.46 1iou s ILE 80 CO -0.04 0.44 0.11 1.07 0.00 0.00 0.00 174.94 176.52 1iou n THR 81 N 3.96 0.00 -1.56 2.92 5.66 0.15 0.14 114.28 125.56 1iou n THR 81 Ca -0.17 -0.92 -0.31 0.00 -3.05 0.00 0.00 64.05 59.60 1iou n THR 81 Cb 0.52 0.46 0.07 0.00 -1.55 0.00 0.00 70.33 69.82 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 -1.89 5.03 0.64 1.09 2.15 -1.05 0.25 116.67 122.90 1iou s ASP 82 Ca 0.15 1.51 0.38 0.00 0.43 0.00 0.00 52.55 55.02 1iou s ASP 82 Cb 0.01 -2.33 2.15 0.00 -0.30 0.00 0.00 42.92 42.45 1iou s ASP 82 CO 0.11 -1.65 2.28 0.07 -0.17 0.00 0.00 175.17 175.80 1iou h LYS 83 N -0.87 0.00 -1.20 4.34 2.10 -1.79 -1.19 116.57 117.96 1iou h LYS 83 Ca -0.45 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 57.92 1iou h LYS 83 Cb 1.23 0.00 -0.14 0.00 -0.90 0.00 0.00 32.23 32.42 1iou h LYS 83 CO 0.58 0.00 0.35 1.04 -2.00 0.00 0.00 179.45 179.42 1iou n GLN 84 N -3.29 1.67 -3.70 0.07 6.02 -1.26 -4.56 117.38 112.33 1iou n GLN 84 Ca -0.02 -1.48 -0.28 0.00 -0.01 0.00 0.00 57.00 55.20 1iou n GLN 84 Cb 0.13 -1.58 -0.11 0.00 1.02 0.00 0.00 30.24 29.70 1iou n GLN 84 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 1iou s TYR 85 N -1.67 2.51 1.01 1.08 6.14 -0.45 -4.47 117.35 121.50 1iou s TYR 85 Ca 0.29 -2.88 -0.19 0.00 0.64 0.00 0.00 57.07 54.93 1iou s TYR 85 Cb 0.23 -1.98 0.02 0.00 0.42 0.00 0.00 41.96 40.65 1iou s TYR 85 CO 0.03 -0.68 -0.42 -0.35 0.64 0.00 0.00 175.55 174.77 1iou n PRO 86 N 2.47 -1.14 0.13 4.97 -0.04 -1.26 -4.81 135.00 135.32 1iou n PRO 86 Ca 0.22 -0.33 0.01 0.00 -0.04 0.00 0.00 63.50 63.36 1iou n PRO 86 Cb 0.39 -1.37 0.06 0.00 -0.04 0.00 0.00 33.50 32.54 1iou n PRO 86 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1iou h VAL 87 N -1.88 1.07 -0.03 0.52 2.07 -1.98 -3.22 116.25 112.81 1iou h VAL 87 Ca -0.38 -2.35 0.03 0.00 0.82 0.00 0.00 66.70 64.83 1iou h VAL 87 Cb 1.12 2.41 -0.04 0.00 -1.52 0.00 0.00 31.29 33.26 1iou h VAL 87 CO 0.25 0.58 -0.22 0.03 0.02 0.00 0.00 177.57 178.23 1iou h ARG 88 N 0.00 -0.31 -0.16 1.57 3.08 -1.99 1.01 114.38 117.58 1iou h ARG 88 Ca -0.01 0.02 -0.12 0.00 0.07 0.00 0.00 59.98 59.94 1iou h ARG 88 Cb 1.37 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.48 1iou h ARG 88 CO 0.08 -0.21 -0.44 -1.35 -1.07 0.00 0.00 179.97 176.98 1iou h PRO 89 N -0.32 0.38 0.00 0.04 0.11 -1.93 -1.78 132.00 128.49 1iou h PRO 89 Ca 0.07 -0.20 -0.06 0.00 0.11 0.00 0.00 66.00 65.93 1iou h PRO 89 Cb 0.42 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 1iou h PRO 89 CO -0.22 0.75 -0.28 0.00 -0.21 0.00 0.00 178.00 178.04 1iou h ALA 90 N 1.23 1.41 -0.34 -0.75 0.00 -1.40 0.16 119.26 119.57 1iou h ALA 90 Ca 0.02 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.51 1iou h ALA 90 Cb 0.90 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1iou h ALA 90 CO 0.08 0.35 -0.46 -0.92 0.00 0.00 0.00 179.25 178.30 1iou h TYR 91 N 0.00 1.09 -0.47 0.00 3.20 0.18 0.33 116.97 121.29 1iou h TYR 91 Ca -0.00 -0.35 -0.03 0.00 3.14 0.00 0.00 58.73 61.49 1iou h TYR 91 Cb 0.54 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 1iou h TYR 91 CO 0.00 1.17 0.18 1.15 -1.64 0.00 0.00 178.16 179.02 1iou h THR 92 N 0.71 1.21 0.16 1.81 2.02 -0.40 0.31 112.91 118.73 1iou h THR 92 Ca 0.04 -0.68 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 1iou h THR 92 Cb 1.05 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 1iou h THR 92 CO 0.11 0.25 -0.08 0.25 0.37 0.00 0.00 175.52 176.42 1iou h LEU 93 N 0.62 -0.18 -0.83 2.58 7.12 -0.55 -1.10 115.31 122.98 1iou h LEU 93 Ca 0.16 -0.13 0.00 0.00 0.13 0.00 0.00 57.88 58.04 1iou h LEU 93 Cb 0.22 0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.40 1iou h LEU 93 CO -0.01 0.02 0.00 0.18 -0.13 0.00 0.00 178.44 178.50 1iou n LEU 94 N -5.11 0.43 0.02 2.25 4.77 0.11 -1.65 117.00 117.82 1iou n LEU 94 Ca -0.09 0.66 -0.01 0.00 -0.03 0.00 0.00 56.01 56.54 1iou n LEU 94 Cb 0.17 -0.67 -0.01 0.00 -2.33 0.00 0.00 43.42 40.58 1iou n LEU 94 CO 0.33 -0.69 0.08 0.78 -1.33 0.00 0.00 177.39 176.56 1iou h ASN 95 N 0.00 -0.08 -0.91 -1.43 4.21 0.86 -2.69 115.58 115.54 1iou h ASN 95 Ca 0.00 0.00 0.05 0.00 1.21 0.00 0.00 56.30 57.56 1iou h ASN 95 Cb 0.12 0.02 -0.06 0.00 -1.12 0.00 0.00 38.32 37.28 1iou h ASN 95 CO 0.00 0.14 0.58 0.11 -1.29 0.00 0.00 177.43 176.97 1iou h LYS 96 N -0.48 1.05 0.47 0.81 6.56 -1.26 0.20 116.57 123.92 1iou h LYS 96 Ca -0.01 -0.06 -0.02 0.00 -1.06 0.00 0.00 60.65 59.50 1iou h LYS 96 Cb 0.07 -0.24 0.00 0.00 -0.57 0.00 0.00 32.23 31.50 1iou h LYS 96 CO 0.02 0.69 -0.24 0.97 -2.06 0.00 0.00 179.45 178.83 1iou h ILE 97 N 1.08 0.51 -0.52 1.86 2.10 -1.47 1.32 117.51 122.39 1iou h ILE 97 Ca 0.38 0.00 -0.05 0.00 1.08 0.00 0.00 64.86 66.26 1iou h ILE 97 Cb 0.10 0.51 -0.02 0.00 -1.09 0.00 0.00 36.82 36.31 1iou h ILE 97 CO -0.15 0.00 0.10 -0.07 -1.08 0.00 0.00 178.15 176.95 1iou h LEU 98 N -0.65 0.76 -1.36 2.19 4.07 -1.25 0.44 115.31 119.51 1iou h LEU 98 Ca -0.06 -0.15 -0.06 0.00 0.08 0.00 0.00 57.88 57.69 1iou h LEU 98 Cb 0.51 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.04 1iou h LEU 98 CO 0.09 0.77 -0.30 -0.78 -1.08 0.00 0.00 178.44 177.14 1iou h ASP 99 N 0.78 0.00 0.22 -0.43 1.82 -0.26 0.85 116.42 119.40 1iou h ASP 99 Ca 0.17 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.80 1iou h ASP 99 Cb 0.33 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.34 1iou h ASP 99 CO 0.00 0.30 -0.11 -0.08 -1.61 0.00 0.00 179.24 177.74 1iou h GLU 100 N 0.00 -0.29 -0.31 0.28 4.22 0.35 -2.52 114.58 116.31 1iou h GLU 100 Ca -0.00 0.02 0.09 0.00 0.08 0.00 0.00 59.36 59.55 1iou h GLU 100 Cb 0.63 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1iou h GLU 100 CO 0.04 -0.01 0.25 -0.92 -2.18 0.00 0.00 179.01 176.19 1iou h TYR 101 N -1.00 0.00 -0.36 0.92 5.03 -0.12 -0.38 116.97 121.06 1iou h TYR 101 Ca -0.03 0.00 -0.16 0.00 2.58 0.00 0.00 58.73 61.12 1iou h TYR 101 Cb 0.41 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.69 1iou h TYR 101 CO 0.05 0.00 -0.41 -0.07 -1.32 0.00 0.00 178.16 176.41 1iou h LEU 102 N 0.00 0.96 -0.03 2.82 4.07 -0.81 -3.31 115.31 119.01 1iou h LEU 102 Ca 0.15 -0.45 -0.02 0.00 0.08 0.00 0.00 57.88 57.64 1iou h LEU 102 Cb 0.66 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 42.13 1iou h LEU 102 CO -0.00 1.24 -0.05 0.58 -1.08 0.00 0.00 178.44 179.12 1iou h VAL 103 N 0.72 1.42 -0.18 1.22 2.07 -0.63 -3.11 116.25 117.77 1iou h VAL 103 Ca 0.05 -1.34 0.05 0.00 0.82 0.00 0.00 66.70 66.29 1iou h VAL 103 Cb 0.99 2.25 -0.01 0.00 -1.52 0.00 0.00 31.29 33.00 1iou h VAL 103 CO 0.10 0.36 0.81 0.00 0.02 0.00 0.00 177.57 178.86 1iou h ALA 104 N 0.47 1.97 -1.38 1.67 0.00 -1.52 -3.38 119.26 117.09 1iou h ALA 104 Ca 0.00 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.04 1iou h ALA 104 Cb 0.61 0.01 -0.29 0.00 0.00 0.00 0.00 17.79 18.12 1iou h ALA 104 CO 0.01 -0.91 0.53 -3.38 0.00 0.00 0.00 179.25 175.50 1iou s HIS 105 N -4.13 -0.39 0.48 0.00 0.00 -1.18 -5.13 115.29 104.95 1iou s HIS 105 Ca -0.02 0.80 -0.11 0.00 -3.00 0.00 0.00 55.06 52.73 1iou s HIS 105 Cb 0.05 0.28 -0.09 0.00 -4.00 0.00 0.00 32.58 28.82 1iou s HIS 105 CO 0.18 -0.19 -0.31 -2.30 -1.00 0.00 0.00 174.74 171.12 1iou n PRO 106 N 3.18 0.00 -0.09 -0.38 -0.02 -1.24 -4.57 135.00 131.88 1iou n PRO 106 Ca -0.17 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.20 1iou n PRO 106 Cb 0.57 -0.62 -0.08 0.00 -0.02 0.00 0.00 33.50 33.35 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 -0.34 -0.33 0.00 -0.52 1.57 -1.95 -1.50 116.57 113.50 1iou h LYS 107 Ca -0.27 0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.47 1iou h LYS 107 Cb 0.85 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 1iou h LYS 107 CO 0.20 -0.22 -0.32 1.05 -0.57 0.00 0.00 179.45 179.59 1iou h GLU 108 N -0.34 0.00 -0.74 3.15 4.11 -1.91 -3.26 114.58 115.59 1iou h GLU 108 Ca 0.05 0.00 0.15 0.00 0.07 0.00 0.00 59.36 59.63 1iou h GLU 108 Cb 0.48 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.59 1iou h GLU 108 CO -0.44 0.32 -0.15 1.49 0.07 0.00 0.00 179.01 180.29 1iou h GLU 109 N 0.00 0.01 0.02 1.06 4.81 -1.55 -2.07 114.58 116.87 1iou h GLU 109 Ca -0.00 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1iou h GLU 109 Cb 0.71 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1iou h GLU 109 CO 0.04 0.01 -0.01 0.11 -0.73 0.00 0.00 179.01 178.43 1iou h TRP 110 N 0.01 -0.03 -5.70 0.92 5.08 -1.59 -3.46 115.95 111.17 1iou h TRP 110 Ca 0.36 -0.00 -0.29 0.00 1.08 0.00 0.00 58.89 60.05 1iou h TRP 110 Cb 0.57 0.01 -0.12 0.00 -3.00 0.00 0.00 29.16 26.62 1iou h TRP 110 CO -0.56 0.63 -0.44 0.00 -1.28 0.00 0.00 178.44 176.79 1iou n ALA 111 N -2.47 -1.24 -1.43 0.11 0.00 -0.78 -1.50 120.51 113.21 1iou n ALA 111 Ca -0.09 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1iou n ALA 111 Cb 0.33 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.21 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 -1.05 -1.90 -4.77 0.00 9.92 -1.16 -4.82 116.55 112.76 1iou n ASP 112 Ca -0.10 0.00 -0.41 0.00 -0.53 0.00 0.00 54.79 53.76 1iou n ASP 112 Cb 0.29 -0.95 -0.03 0.00 -0.64 0.00 0.00 41.12 39.80 1iou n ASP 112 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1iou s VAL 113 N -1.49 2.92 -0.87 2.53 1.01 -0.56 -4.92 120.40 119.02 1iou s VAL 113 Ca 0.00 0.93 0.17 0.00 0.00 0.00 0.00 61.98 63.08 1iou s VAL 113 Cb 0.00 -3.59 0.74 0.00 0.00 0.00 0.00 36.38 33.53 1iou s VAL 113 CO 0.00 0.22 1.65 0.35 0.00 0.00 0.00 175.10 177.32 1iou n THR 114 N 0.89 2.07 -2.99 3.92 -2.24 -1.26 -4.66 114.28 110.01 1iou n THR 114 Ca -0.00 -1.28 -0.00 0.00 -2.27 0.00 0.00 64.05 60.49 1iou n THR 114 Cb 0.43 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 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 -2.10 0.75 0.00 -0.78 -1.05 -1.26 -5.16 118.70 109.09 1iou s GLU 115 Ca 0.51 -0.43 0.00 0.00 -0.15 0.00 0.00 54.97 54.90 1iou s GLU 115 Cb 0.35 0.04 0.00 0.00 -0.44 0.00 0.00 34.13 34.08 1iou s GLU 115 CO 0.22 -1.02 0.00 -2.37 0.95 0.00 0.00 175.26 173.04 1iou n THR 116 N 3.80 0.00 0.00 1.83 5.66 -1.26 -4.99 114.28 119.32 1iou n THR 116 Ca 0.12 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.12 1iou n THR 116 Cb 0.58 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.36 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 -0.14 0.00 0.17 1.09 6.94 -1.26 -4.95 115.26 117.10 1iou n ASN 117 Ca 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 54.58 54.62 1iou n ASN 117 Cb 0.00 0.00 0.54 0.00 -2.36 0.00 0.00 39.78 37.96 1iou n ASN 117 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 1iou h ASP 118 N 0.00 0.16 -0.92 0.53 3.32 -1.80 0.51 116.42 118.22 1iou h ASP 118 Ca 0.00 -0.01 0.24 0.00 0.02 0.00 0.00 57.03 57.28 1iou h ASP 118 Cb 0.00 -0.04 -0.13 0.00 0.22 0.00 0.00 39.33 39.38 1iou h ASP 118 CO 0.00 0.15 0.41 0.00 -1.72 0.00 0.00 179.24 178.08 1iou h ALA 119 N 1.88 1.53 0.00 3.45 0.00 -1.89 0.35 119.26 124.58 1iou h ALA 119 Ca 0.05 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1iou h ALA 119 Cb 0.03 0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1iou h ALA 119 CO -0.01 -0.39 -1.36 1.47 0.00 0.00 0.00 179.25 178.96 1iou n LEU 120 N -5.06 0.26 -3.29 0.00 -0.00 -0.86 -4.34 117.00 103.72 1iou n LEU 120 Ca 0.24 -0.18 -0.25 0.00 -0.00 0.00 0.00 56.01 55.82 1iou n LEU 120 Cb 0.72 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 44.07 1iou n LEU 120 CO 0.11 0.07 -0.06 1.17 -0.00 0.00 0.00 177.39 178.68 1iou n LYS 121 N -1.80 1.89 -2.81 1.47 3.00 0.17 -4.91 118.16 115.17 1iou n LYS 121 Ca -0.01 -4.12 -0.10 0.00 -0.00 0.00 0.00 58.31 54.07 1iou n LYS 121 Cb 0.35 -1.87 0.05 0.00 0.00 0.00 0.00 35.03 33.56 1iou n LYS 121 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 1iou n MET 122 N 0.91 0.86 0.28 1.64 1.56 -0.06 -4.10 117.12 118.22 1iou n MET 122 Ca 0.27 -2.03 0.18 0.00 -0.27 0.00 0.00 57.70 55.85 1iou n MET 122 Cb 0.46 -1.32 0.99 0.00 2.15 0.00 0.00 33.22 35.50 1iou n MET 122 CO 0.00 0.00 0.00 0.87 -0.73 0.00 0.00 175.97 176.11 1iou h LYS 123 N 3.62 0.00 0.00 2.12 1.57 -1.91 -2.60 116.57 119.38 1iou h LYS 123 Ca -0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1iou h LYS 123 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1iou h LYS 123 CO 0.29 0.00 0.00 0.94 -0.57 0.00 0.00 179.45 180.11 1iou n GLN 124 N -2.80 0.00 0.16 3.15 -0.06 -1.26 0.53 117.38 117.10 1iou n GLN 124 Ca -0.02 0.44 0.03 0.00 -2.00 0.00 0.00 57.00 55.45 1iou n GLN 124 Cb 0.10 -1.39 0.39 0.00 -4.06 0.00 0.00 30.24 25.27 1iou n GLN 124 CO 0.00 0.00 0.00 1.37 -0.20 0.00 0.00 177.06 178.23 1iou h LEU 125 N 0.00 0.12 -0.05 1.69 -0.00 -1.89 -0.82 115.31 114.36 1iou h LEU 125 Ca 0.00 -0.03 -0.03 0.00 -0.00 0.00 0.00 57.88 57.82 1iou h LEU 125 Cb 0.00 -0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 40.63 1iou h LEU 125 CO 0.00 0.35 -0.07 -0.78 -0.00 0.00 0.00 178.44 177.94 1iou h ASP 126 N 0.11 0.16 0.30 0.17 1.82 -1.47 -0.06 116.42 117.45 1iou h ASP 126 Ca 0.02 -0.53 -0.05 0.00 -0.39 0.00 0.00 57.03 56.09 1iou h ASP 126 Cb 0.47 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.43 1iou h ASP 126 CO 0.03 0.65 -0.22 0.74 -1.61 0.00 0.00 179.24 178.83 1iou h THR 127 N -0.33 1.01 -0.09 2.25 2.02 0.20 -1.11 112.91 116.85 1iou h THR 127 Ca 0.01 -0.81 -0.10 0.00 0.77 0.00 0.00 66.41 66.28 1iou h THR 127 Cb 0.62 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 1iou h THR 127 CO 0.02 0.22 -0.32 1.88 0.37 0.00 0.00 175.52 177.69 1iou h TYR 128 N 0.00 0.49 -0.25 3.16 -1.99 -1.02 -2.36 116.97 115.01 1iou h TYR 128 Ca -0.00 -0.20 -0.05 0.00 2.00 0.00 0.00 58.73 60.47 1iou h TYR 128 Cb 0.44 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 39.07 1iou h TYR 128 CO 0.00 0.93 -0.08 0.97 -0.00 0.00 0.00 178.16 179.98 1iou h ILE 129 N -0.09 1.20 -0.28 -2.88 -0.00 -0.68 0.73 117.51 115.52 1iou h ILE 129 Ca -0.01 -0.84 -0.04 0.00 -0.00 0.00 0.00 64.86 63.96 1iou h ILE 129 Cb 0.95 1.10 -0.01 0.00 -0.00 0.00 0.00 36.82 38.86 1iou h ILE 129 CO 0.07 0.28 0.00 -1.28 -0.00 0.00 0.00 178.15 177.21 1iou h SER 130 N 0.38 0.48 1.75 2.19 0.87 -1.17 -2.96 113.55 115.08 1iou h SER 130 Ca 0.08 -0.31 -0.01 0.00 -1.23 0.00 0.00 61.79 60.32 1iou h SER 130 Cb 0.39 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1iou h SER 130 CO 0.02 0.67 -0.25 0.07 -0.53 0.00 0.00 176.83 176.80 1iou h LYS 131 N 0.27 0.00 0.00 2.24 5.09 -1.16 -3.21 116.57 119.80 1iou h LYS 131 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.82 1iou h LYS 131 Cb 0.42 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.75 1iou h LYS 131 CO 0.01 0.03 0.00 0.66 -2.09 0.00 0.00 179.45 178.07 1iou n TYR 132 N -3.02 0.50 0.00 0.07 4.02 0.25 -3.44 117.16 115.54 1iou n TYR 132 Ca 0.03 0.19 0.00 0.00 -0.01 0.00 0.00 57.90 58.11 1iou n TYR 132 Cb 0.55 -0.81 0.00 0.00 -0.02 0.00 0.00 39.34 39.06 1iou n TYR 132 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1iou n GLN 133 N -1.95 0.00 -2.73 -0.72 1.13 -1.16 -4.23 117.38 107.72 1iou n GLN 133 Ca 0.03 0.23 -0.22 0.00 -1.94 0.00 0.00 57.00 55.10 1iou n GLN 133 Cb 0.21 -1.74 0.03 0.00 0.11 0.00 0.00 30.24 28.85 1iou n GLN 133 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1iou s ASP 134 N -2.43 5.42 0.32 1.08 1.01 -1.22 -3.96 116.67 116.88 1iou s ASP 134 Ca 0.00 0.07 0.13 0.00 0.71 0.00 0.00 52.55 53.46 1iou s ASP 134 Cb 0.00 -1.05 0.52 0.00 1.01 0.00 0.00 42.92 43.40 1iou s ASP 134 CO 0.00 -1.03 1.69 1.55 0.21 0.00 0.00 175.17 177.59 1iou h PRO 135 N 0.15 0.00 -0.14 8.23 0.13 -1.79 -3.41 132.00 135.17 1iou h PRO 135 Ca -0.43 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.54 1iou h PRO 135 Cb 1.28 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.27 1iou h PRO 135 CO 0.54 0.51 -0.35 0.43 -0.23 0.00 0.00 178.00 178.89 1iou n SER 136 N -3.81 -2.48 -0.57 1.44 7.64 -1.26 -4.95 113.62 109.64 1iou n SER 136 Ca -0.01 -2.72 0.46 0.00 1.01 0.00 0.00 58.87 57.61 1iou n SER 136 Cb 0.54 1.47 0.78 0.00 -1.01 0.00 0.00 64.21 65.99 1iou n SER 136 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1iou h GLN 137 N 3.92 0.01 -0.88 1.43 7.50 -1.85 -3.44 115.11 121.80 1iou h GLN 137 Ca -0.14 -0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.01 1iou h GLN 137 Cb 1.09 -0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.62 1iou h GLN 137 CO 0.13 0.01 0.00 0.00 -1.50 0.00 0.00 178.83 177.47 1iou n ALA 138 N -2.83 0.00 -3.57 3.87 0.00 -1.26 -3.94 120.51 112.78 1iou n ALA 138 Ca 0.38 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.59 1iou n ALA 138 Cb 1.73 -0.44 0.08 0.00 0.00 0.00 0.00 19.45 20.82 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 -6.17 0.00 0.00 -0.08 -1.26 -5.29 116.55 105.04 1iou n ASP 139 Ca 0.00 -0.53 0.07 0.00 -1.51 0.00 0.00 54.79 52.82 1iou n ASP 139 Cb 0.44 -4.95 0.43 0.00 2.34 0.00 0.00 41.12 39.38 1iou n ASP 139 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32