#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 2.18 0.50 0.03 3.00 -1.26 -4.86 118.95 118.53 1iou s ARG 2 Ca 0.00 -1.61 -0.16 0.00 0.00 0.00 0.00 55.73 53.96 1iou s ARG 2 Cb 0.00 0.57 -0.08 0.00 0.00 0.00 0.00 34.95 35.44 1iou s ARG 2 CO 0.00 -0.99 0.96 -1.50 0.00 0.00 0.00 175.30 173.77 1iou s ILE 3 N -2.40 4.54 0.00 1.52 2.07 -1.25 0.11 121.20 125.79 1iou s ILE 3 Ca 0.21 1.19 0.00 0.00 -1.41 0.00 0.00 60.65 60.64 1iou s ILE 3 Cb -0.04 -3.71 0.00 0.00 0.13 0.00 0.00 42.46 38.84 1iou s ILE 3 CO 0.15 -0.64 0.00 -1.22 -1.91 0.00 0.00 174.94 171.32 1iou n TYR 4 N -1.47 0.00 -3.86 3.50 4.01 -0.96 -4.82 117.16 113.56 1iou n TYR 4 Ca 0.06 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.70 1iou n TYR 4 Cb 0.54 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.48 1iou n TYR 4 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1iou s TYR 5 N -1.55 0.07 0.21 -0.72 6.14 -0.04 0.17 117.35 121.63 1iou s TYR 5 Ca 0.00 -0.28 -0.17 0.00 0.64 0.00 0.00 57.07 57.25 1iou s TYR 5 Cb 0.00 -0.05 0.02 0.00 0.42 0.00 0.00 41.96 42.35 1iou s TYR 5 CO 0.00 -0.40 0.54 0.42 0.64 0.00 0.00 175.55 176.76 1iou s ILE 6 N -2.37 0.02 -5.00 3.14 1.01 0.15 -0.41 121.20 117.74 1iou s ILE 6 Ca -0.07 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.68 1iou s ILE 6 Cb -0.02 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.72 1iou s ILE 6 CO -0.03 -0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.44 1iou n GLY 7 N -0.36 -0.28 3.13 6.18 0.00 -0.66 -0.52 105.19 112.67 1iou n GLY 7 Ca -0.08 -1.09 -0.08 0.00 0.00 0.00 0.00 46.02 44.76 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 -3.43 0.16 -0.24 1.61 1.01 -0.89 -1.45 120.40 117.17 1iou s VAL 8 Ca 0.00 -1.81 -0.11 0.00 0.00 0.00 0.00 61.98 60.05 1iou s VAL 8 Cb 0.00 -1.75 0.09 0.00 0.00 0.00 0.00 36.38 34.71 1iou s VAL 8 CO 0.00 -0.73 0.56 -0.36 0.00 0.00 0.00 175.10 174.58 1iou s PHE 9 N -3.98 -0.95 -0.18 5.22 0.40 0.34 -1.79 117.98 117.04 1iou s PHE 9 Ca 0.15 1.85 -0.29 0.00 -0.60 0.00 0.00 56.93 58.03 1iou s PHE 9 Cb 0.07 0.52 -0.00 0.00 0.51 0.00 0.00 43.02 44.12 1iou s PHE 9 CO -0.05 -0.50 1.06 0.50 0.70 0.00 0.00 175.22 176.93 1iou s ARG 10 N 1.99 4.31 -0.54 0.44 3.00 0.94 -1.37 118.95 127.72 1iou s ARG 10 Ca -0.08 1.41 -0.26 0.00 -1.00 0.00 0.00 55.73 55.80 1iou s ARG 10 Cb -0.08 -3.61 -0.08 0.00 0.00 0.00 0.00 34.95 31.17 1iou s ARG 10 CO -0.17 -0.53 2.39 -1.12 0.00 0.00 0.00 175.30 175.87 1iou s SER 11 N 1.24 4.38 0.00 -2.12 0.01 -1.26 0.95 113.70 116.91 1iou s SER 11 Ca 0.47 0.89 0.00 0.00 1.31 0.00 0.00 55.95 58.62 1iou s SER 11 Cb -0.17 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.55 1iou s SER 11 CO 0.11 -3.02 0.00 0.61 0.41 0.00 0.00 173.24 171.35 1iou n GLY 12 N 6.12 1.09 0.00 3.44 0.00 -1.11 -4.87 105.19 109.86 1iou n GLY 12 Ca 0.38 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 0.08 0.31 -0.02 0.00 -1.26 -4.78 105.19 104.52 1iou n GLY 13 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 1iou n GLY 13 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1iou h GLU 14 N 0.00 0.00 0.00 1.61 4.11 -1.99 -3.44 114.58 114.86 1iou h GLU 14 Ca 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.27 1iou h GLU 14 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1iou h GLU 14 CO 0.00 0.00 -0.04 0.36 0.07 0.00 0.00 179.01 179.40 1iou n LYS 15 N -3.99 0.59 -3.22 1.06 0.00 -1.26 -5.03 118.16 106.30 1iou n LYS 15 Ca 0.00 -1.95 -0.39 0.00 -0.00 0.00 0.00 58.31 55.98 1iou n LYS 15 Cb 0.23 1.98 -0.06 0.00 -0.00 0.00 0.00 35.03 37.18 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 -2.30 3.56 -0.16 0.58 0.00 -1.21 -2.76 121.76 119.46 1iou s ALA 16 Ca 0.19 0.09 -0.24 0.00 0.00 0.00 0.00 51.96 52.00 1iou s ALA 16 Cb -0.01 -2.70 -0.02 0.00 0.00 0.00 0.00 23.12 20.39 1iou s ALA 16 CO 0.14 0.38 0.79 -1.17 0.00 0.00 0.00 175.76 175.90 1iou s LEU 17 N -1.18 4.18 -0.40 0.00 0.20 0.27 -4.82 118.68 116.92 1iou s LEU 17 Ca 0.31 1.13 -0.31 0.00 0.69 0.00 0.00 54.13 55.95 1iou s LEU 17 Cb -0.20 -3.17 -0.09 0.00 -0.43 0.00 0.00 46.19 42.29 1iou s LEU 17 CO 0.20 -0.36 2.30 -0.62 -0.29 0.00 0.00 176.35 177.59 1iou n GLU 18 N 5.08 1.22 -0.02 1.98 1.02 -1.26 -0.04 120.64 128.61 1iou n GLU 18 Ca 0.03 0.26 -0.01 0.00 -0.02 0.00 0.00 57.16 57.42 1iou n GLU 18 Cb 0.49 -2.83 -0.00 0.00 -0.02 0.00 0.00 31.44 29.07 1iou n GLU 18 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1iou h LEU 19 N 14.87 0.00 -7.96 -4.62 5.85 -1.79 -3.17 115.31 118.49 1iou h LEU 19 Ca -0.28 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.31 1iou h LEU 19 Cb 1.29 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 42.14 1iou h LEU 19 CO 1.07 0.24 -0.56 -0.94 -0.34 0.00 0.00 178.44 177.91 1iou s SER 20 N -4.19 0.23 -0.13 1.25 1.04 -0.74 0.11 113.70 111.27 1iou s SER 20 Ca -0.04 -0.61 -0.04 0.00 0.48 0.00 0.00 55.95 55.74 1iou s SER 20 Cb 0.01 0.21 0.05 0.00 0.10 0.00 0.00 66.02 66.39 1iou s SER 20 CO 0.06 -0.51 0.09 -1.61 0.98 0.00 0.00 173.24 172.25 1iou s GLU 21 N -2.76 0.02 -0.07 4.02 2.02 -1.26 -2.09 118.70 118.59 1iou s GLU 21 Ca -0.04 0.08 0.05 0.00 0.02 0.00 0.00 54.97 55.09 1iou s GLU 21 Cb -0.00 -1.38 -0.01 0.00 0.10 0.00 0.00 34.13 32.85 1iou s GLU 21 CO -0.05 -0.56 -0.23 0.54 0.02 0.00 0.00 175.26 174.98 1iou s VAL 22 N 2.16 1.90 0.38 2.63 0.11 0.32 -4.85 120.40 123.05 1iou s VAL 22 Ca 0.03 -0.97 0.06 0.00 -2.93 0.00 0.00 61.98 58.18 1iou s VAL 22 Cb -0.15 -1.63 -0.07 0.00 -1.53 0.00 0.00 36.38 33.00 1iou s VAL 22 CO -0.07 0.53 0.01 -0.54 -3.33 0.00 0.00 175.10 171.70 1iou s LYS 23 N 0.03 1.85 -0.23 1.54 1.02 -1.26 -0.67 119.74 122.01 1iou s LYS 23 Ca -0.08 -2.03 -0.03 0.00 0.02 0.00 0.00 55.97 53.86 1iou s LYS 23 Cb -0.14 -1.42 0.11 0.00 -0.52 0.00 0.00 37.83 35.86 1iou s LYS 23 CO 0.05 -0.06 0.27 0.34 -0.92 0.00 0.00 175.35 175.02 1iou s ASP 24 N -3.63 1.29 -0.80 2.83 -1.08 0.45 -4.91 116.67 110.82 1iou s ASP 24 Ca 0.35 -0.30 0.02 0.00 -0.52 0.00 0.00 52.55 52.10 1iou s ASP 24 Cb 0.09 0.53 0.22 0.00 -1.46 0.00 0.00 42.92 42.30 1iou s ASP 24 CO 0.17 -0.34 0.74 0.18 0.52 0.00 0.00 175.17 176.44 1iou n LEU 25 N 5.32 3.92 -0.01 -1.34 4.77 -1.26 -4.46 117.00 123.95 1iou n LEU 25 Ca -0.04 -5.24 0.03 0.00 -0.03 0.00 0.00 56.01 50.73 1iou n LEU 25 Cb 0.49 -0.91 -0.06 0.00 -2.33 0.00 0.00 43.42 40.61 1iou n LEU 25 CO 0.06 1.75 -0.61 -1.54 -1.33 0.00 0.00 177.39 175.72 1iou n SER 26 N 1.77 3.28 -0.03 -1.43 3.41 -1.26 -4.65 113.62 114.71 1iou n SER 26 Ca 0.23 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.87 1iou n SER 26 Cb 0.37 1.26 -0.15 0.00 -0.26 0.00 0.00 64.21 65.43 1iou n SER 26 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1iou n GLN 27 N -1.82 0.66 -2.34 4.33 0.00 -1.26 -4.97 117.38 111.98 1iou n GLN 27 Ca -0.03 -0.08 -0.32 0.00 -0.00 0.00 0.00 57.00 56.57 1iou n GLN 27 Cb 0.26 -1.56 -0.03 0.00 0.00 0.00 0.00 30.24 28.91 1iou n GLN 27 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 1iou s PHE 28 N -3.11 3.29 0.00 3.69 0.08 -1.26 -5.06 117.98 115.61 1iou s PHE 28 Ca -0.08 1.50 0.00 0.00 0.12 0.00 0.00 56.93 58.47 1iou s PHE 28 Cb 0.11 -2.87 0.00 0.00 -0.57 0.00 0.00 43.02 39.69 1iou s PHE 28 CO 0.87 -0.57 0.00 0.41 -0.10 0.00 0.00 175.22 175.82 1iou n GLY 29 N -1.27 -3.59 2.10 4.36 0.00 -1.26 -4.68 105.19 100.85 1iou n GLY 29 Ca 0.07 -1.23 -0.22 0.00 0.00 0.00 0.00 46.02 44.64 1iou n GLY 29 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1iou n PHE 30 N -2.47 2.73 0.00 1.61 -1.74 -1.26 -3.48 117.46 112.86 1iou n PHE 30 Ca 0.00 -1.83 0.00 0.00 -0.56 0.00 0.00 57.45 55.06 1iou n PHE 30 Cb 0.00 -0.93 0.00 0.00 1.52 0.00 0.00 39.48 40.07 1iou n PHE 30 CO 0.00 0.00 0.00 1.97 -0.56 0.00 0.00 176.76 178.17 1iou n PHE 31 N -0.92 -1.49 0.18 2.97 -1.74 -1.26 -4.89 117.46 110.31 1iou n PHE 31 Ca 0.53 0.00 0.05 0.00 -0.56 0.00 0.00 57.45 57.47 1iou n PHE 31 Cb 1.43 0.40 0.30 0.00 1.52 0.00 0.00 39.48 43.13 1iou n PHE 31 CO 0.00 0.00 0.00 1.49 -0.56 0.00 0.00 176.76 177.69 1iou h GLU 32 N 0.00 0.00 -1.15 3.97 4.81 -1.94 -3.13 114.58 117.15 1iou h GLU 32 Ca 0.00 0.00 0.32 0.00 -0.13 0.00 0.00 59.36 59.55 1iou h GLU 32 Cb 0.00 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.31 1iou h GLU 32 CO 0.00 0.40 0.80 0.07 -0.73 0.00 0.00 179.01 179.54 1iou h ARG 33 N 0.00 0.13 -0.01 1.92 0.11 -1.83 0.22 114.38 114.92 1iou h ARG 33 Ca -0.00 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.05 1iou h ARG 33 Cb 0.96 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.01 1iou h ARG 33 CO 0.05 0.09 -0.05 1.03 0.10 0.00 0.00 179.97 181.19 1iou h SER 34 N 0.14 0.06 -0.79 0.08 0.87 -1.86 -2.26 113.55 109.78 1iou h SER 34 Ca 0.59 -0.68 0.05 0.00 -1.23 0.00 0.00 61.79 60.52 1iou h SER 34 Cb 2.04 -0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 63.93 1iou h SER 34 CO -0.13 0.73 0.52 0.28 -0.53 0.00 0.00 176.83 177.71 1iou h SER 35 N -0.61 0.78 -0.23 6.23 0.02 -0.87 -1.88 113.55 116.99 1iou h SER 35 Ca -0.00 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1iou h SER 35 Cb 0.73 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 1iou h SER 35 CO 0.01 0.52 -0.02 0.58 -1.14 0.00 0.00 176.83 176.78 1iou h VAL 36 N 0.90 1.26 -0.67 2.27 2.07 -0.74 -1.70 116.25 119.65 1iou h VAL 36 Ca 0.33 -0.94 0.14 0.00 0.82 0.00 0.00 66.70 67.06 1iou h VAL 36 Cb 0.17 1.43 -0.11 0.00 -1.52 0.00 0.00 31.29 31.26 1iou h VAL 36 CO -0.11 0.29 0.06 1.23 0.02 0.00 0.00 177.57 179.06 1iou h GLY 37 N 0.17 0.79 1.60 2.17 0.00 -0.73 0.88 103.07 107.95 1iou h GLY 37 Ca 0.06 0.05 -0.05 0.00 0.00 0.00 0.00 47.33 47.39 1iou h GLY 37 CO 0.01 -0.21 -0.03 -1.61 0.00 0.00 0.00 176.54 174.71 1iou h GLN 38 N 0.17 0.49 -0.40 4.80 5.75 -1.33 -1.85 115.11 122.74 1iou h GLN 38 Ca 0.36 -0.11 -0.09 0.00 -0.15 0.00 0.00 58.65 58.66 1iou h GLN 38 Cb 0.60 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.06 1iou h GLN 38 CO -0.53 0.54 -0.13 0.35 -2.65 0.00 0.00 178.83 176.41 1iou h PHE 39 N 0.47 0.80 0.09 3.99 3.04 0.14 -2.41 116.94 123.06 1iou h PHE 39 Ca 0.10 -0.15 -0.00 0.00 3.98 0.00 0.00 57.97 61.90 1iou h PHE 39 Cb 0.35 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 38.66 1iou h PHE 39 CO 0.01 0.81 -0.04 0.52 -2.02 0.00 0.00 178.31 177.59 1iou h MET 40 N 0.66 -0.12 0.80 1.11 2.86 0.11 -2.19 114.93 118.16 1iou h MET 40 Ca 0.11 0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.72 1iou h MET 40 Cb 0.59 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.27 1iou h MET 40 CO 0.04 0.05 -0.48 1.15 1.06 0.00 0.00 176.91 178.73 1iou h THR 41 N -0.27 0.00 -0.98 2.22 2.02 -1.36 0.69 112.91 115.22 1iou h THR 41 Ca -0.01 0.00 0.30 0.00 0.77 0.00 0.00 66.41 67.47 1iou h THR 41 Cb 0.22 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.49 1iou h THR 41 CO 0.02 0.00 0.52 0.15 0.37 0.00 0.00 175.52 176.58 1iou h PHE 42 N -1.20 0.85 -0.05 3.16 3.04 -1.48 1.00 116.94 122.26 1iou h PHE 42 Ca -0.11 0.04 -0.21 0.00 3.98 0.00 0.00 57.97 61.67 1iou h PHE 42 Cb 0.96 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 39.25 1iou h PHE 42 CO -0.09 -0.15 -0.85 0.35 -2.02 0.00 0.00 178.31 175.56 1iou h PHE 43 N 0.34 0.69 -0.40 0.41 3.57 -0.99 -1.89 116.94 118.66 1iou h PHE 43 Ca 0.70 -0.34 -0.12 0.00 3.53 0.00 0.00 57.97 61.74 1iou h PHE 43 Cb 1.53 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 40.16 1iou h PHE 43 CO -0.05 1.14 -0.22 0.00 -2.23 0.00 0.00 178.31 176.94 1iou h ALA 44 N 0.76 0.85 -0.13 2.41 0.00 0.69 -1.02 119.26 122.82 1iou h ALA 44 Ca -0.06 -0.38 -0.17 0.00 0.00 0.00 0.00 54.91 54.30 1iou h ALA 44 Cb 1.46 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1iou h ALA 44 CO 0.15 0.64 -0.64 1.05 0.00 0.00 0.00 179.25 180.45 1iou h GLU 45 N 0.70 0.47 0.25 0.00 4.11 0.49 -2.86 114.58 117.75 1iou h GLU 45 Ca 0.10 -0.34 -0.01 0.00 0.07 0.00 0.00 59.36 59.18 1iou h GLU 45 Cb 0.75 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1iou h GLU 45 CO 0.06 0.96 -0.12 1.15 0.07 0.00 0.00 179.01 181.12 1iou h THR 46 N 0.34 0.79 -0.20 -1.06 2.02 -1.10 -1.17 112.91 112.54 1iou h THR 46 Ca -0.01 -0.29 0.03 0.00 0.77 0.00 0.00 66.41 66.91 1iou h THR 46 Cb 1.20 0.96 -0.06 0.00 -1.74 0.00 0.00 68.15 68.51 1iou h THR 46 CO 0.11 0.06 -0.46 -0.37 0.37 0.00 0.00 175.52 175.24 1iou h VAL 47 N -0.49 0.00 -0.80 3.16 -1.51 -1.18 1.13 116.25 116.55 1iou h VAL 47 Ca -0.03 0.00 0.23 0.00 -1.23 0.00 0.00 66.70 65.67 1iou h VAL 47 Cb 0.37 0.00 -0.03 0.00 -2.13 0.00 0.00 31.29 29.49 1iou h VAL 47 CO 0.06 0.00 0.58 0.00 -1.23 0.00 0.00 177.57 176.98 1iou h ALA 48 N -0.40 2.76 -0.08 5.19 0.00 -1.49 1.29 119.26 126.53 1iou h ALA 48 Ca 0.04 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 1iou h ALA 48 Cb 0.54 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1iou h ALA 48 CO -0.42 -0.99 -0.75 1.03 0.00 0.00 0.00 179.25 178.13 1iou h SER 49 N 0.00 0.53 -0.01 0.00 0.87 0.15 -3.26 113.55 111.84 1iou h SER 49 Ca 0.38 -0.35 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 1iou h SER 49 Cb 1.53 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.33 1iou h SER 49 CO -0.01 1.10 -0.03 0.03 -0.53 0.00 0.00 176.83 177.40 1iou h ARG 50 N 0.30 0.03 -6.12 2.24 3.08 0.91 -3.42 114.38 111.40 1iou h ARG 50 Ca -0.04 -0.02 -0.55 0.00 0.07 0.00 0.00 59.98 59.44 1iou h ARG 50 Cb 1.33 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.36 1iou h ARG 50 CO 0.13 0.68 1.34 0.99 -1.07 0.00 0.00 179.97 182.03 1iou s THR 51 N -3.60 3.38 -0.01 2.04 2.01 0.33 -4.84 115.64 114.94 1iou s THR 51 Ca -0.17 0.35 -0.01 0.00 0.31 0.00 0.00 61.69 62.17 1iou s THR 51 Cb 0.00 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 1iou s THR 51 CO 0.69 -0.50 2.20 0.61 -0.69 0.00 0.00 174.62 176.94 1iou n GLY 52 N 5.56 2.61 1.61 4.40 0.00 -1.26 -4.79 105.19 113.31 1iou n GLY 52 Ca 0.24 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1iou n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iou n ALA 53 N 1.59 -1.95 -0.97 4.61 0.00 -1.26 -4.75 120.51 117.77 1iou n ALA 53 Ca 0.06 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1iou n ALA 53 Cb 0.55 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.47 0.84 3.24 0.00 0.00 -1.20 -4.99 105.19 101.60 1iou n GLY 54 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.08 1.18 0.07 1.61 0.41 -1.26 -4.95 118.70 115.66 1iou s GLU 55 Ca 0.00 -1.59 0.06 0.00 -0.41 0.00 0.00 54.97 53.03 1iou s GLU 55 Cb 0.00 -0.12 -0.04 0.00 -1.78 0.00 0.00 34.13 32.20 1iou s GLU 55 CO 0.00 -0.23 -0.12 0.50 -0.49 0.00 0.00 175.26 174.92 1iou s ARG 56 N -4.00 2.19 -0.14 1.61 3.52 -1.26 -2.37 118.95 118.50 1iou s ARG 56 Ca 0.30 -0.95 -0.03 0.00 -0.13 0.00 0.00 55.73 54.92 1iou s ARG 56 Cb 0.07 -2.31 0.05 0.00 -1.56 0.00 0.00 34.95 31.20 1iou s ARG 56 CO 0.07 0.54 0.04 -0.65 -0.81 0.00 0.00 175.30 174.48 1iou s GLN 57 N -1.82 0.47 -0.44 5.12 -1.52 -0.69 -4.90 119.66 115.87 1iou s GLN 57 Ca 0.18 -0.11 -0.08 0.00 -1.95 0.00 0.00 55.36 53.40 1iou s GLN 57 Cb -0.11 -1.54 0.10 0.00 -0.22 0.00 0.00 33.01 31.24 1iou s GLN 57 CO 0.10 -0.51 0.29 0.45 -0.25 0.00 0.00 175.29 175.37 1iou s SER 58 N 1.98 5.60 -0.47 5.90 0.15 -1.24 0.16 113.70 125.78 1iou s SER 58 Ca 0.02 -1.77 -0.25 0.00 0.70 0.00 0.00 55.95 54.66 1iou s SER 58 Cb -0.15 -1.97 0.03 0.00 -1.71 0.00 0.00 66.02 62.22 1iou s SER 58 CO -0.07 -0.61 0.90 0.27 1.20 0.00 0.00 173.24 174.93 1iou s ILE 59 N 1.35 4.49 -0.45 6.45 -4.36 0.94 -4.78 121.20 124.85 1iou s ILE 59 Ca 0.05 0.61 -0.19 0.00 -0.26 0.00 0.00 60.65 60.87 1iou s ILE 59 Cb -0.24 -4.43 0.03 0.00 1.25 0.00 0.00 42.46 39.07 1iou s ILE 59 CO -0.00 -0.86 0.54 -1.61 0.24 0.00 0.00 174.94 173.25 1iou s GLU 60 N 3.70 3.14 0.46 0.37 2.02 -1.26 0.84 118.70 127.97 1iou s GLU 60 Ca 0.35 -0.72 0.08 0.00 0.02 0.00 0.00 54.97 54.69 1iou s GLU 60 Cb -0.11 -4.01 0.01 0.00 0.10 0.00 0.00 34.13 30.12 1iou s GLU 60 CO 0.25 -1.01 0.48 -1.21 0.02 0.00 0.00 175.26 173.79 1iou s GLU 61 N 2.44 2.53 -0.57 1.61 0.41 0.70 -4.99 118.70 120.83 1iou s GLU 61 Ca 0.15 -1.55 -0.07 0.00 -0.41 0.00 0.00 54.97 53.09 1iou s GLU 61 Cb -0.17 -2.46 -0.18 0.00 -1.78 0.00 0.00 34.13 29.54 1iou s GLU 61 CO 0.14 -0.36 3.07 0.41 -0.49 0.00 0.00 175.26 178.04 1iou n GLY 62 N -1.73 3.24 0.00 -1.39 0.00 -1.26 -3.24 105.19 100.80 1iou n GLY 62 Ca 0.05 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 3.02 0.00 -2.69 1.61 4.05 -1.26 -5.16 115.26 114.83 1iou n ASN 63 Ca 0.51 0.00 -0.09 0.00 0.45 0.00 0.00 54.58 55.45 1iou n ASN 63 Cb 0.58 0.00 0.02 0.00 1.23 0.00 0.00 39.78 41.61 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 0.00 -2.21 -4.38 1.20 0.18 -1.20 -4.58 117.16 106.17 1iou n TYR 64 Ca 0.00 -1.78 -0.27 0.00 1.88 0.00 0.00 57.90 57.73 1iou n TYR 64 Cb 0.00 0.84 -0.11 0.00 -0.38 0.00 0.00 39.34 39.69 1iou n TYR 64 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 1iou s ILE 65 N -2.21 2.67 -0.47 -3.48 1.01 0.42 -0.21 121.20 118.94 1iou s ILE 65 Ca 0.16 -1.94 0.03 0.00 0.00 0.00 0.00 60.65 58.90 1iou s ILE 65 Cb -0.04 -2.31 0.15 0.00 0.01 0.00 0.00 42.46 40.26 1iou s ILE 65 CO 0.12 -0.14 0.29 -0.83 0.00 0.00 0.00 174.94 174.37 1iou s GLY 66 N -2.82 1.71 0.36 6.18 0.00 0.25 0.12 107.32 113.12 1iou s GLY 66 Ca 0.23 -2.69 -0.27 0.00 0.00 0.00 0.00 44.72 41.99 1iou s GLY 66 CO 0.12 1.61 1.18 0.30 0.00 0.00 0.00 173.10 176.32 1iou s HIS 67 N 0.11 3.17 0.02 1.90 0.09 0.66 -0.04 115.29 121.19 1iou s HIS 67 Ca 0.21 1.55 0.03 0.00 -0.00 0.00 0.00 55.06 56.86 1iou s HIS 67 Cb -0.17 -3.43 -0.01 0.00 -0.00 0.00 0.00 32.58 28.96 1iou s HIS 67 CO -0.05 -1.27 -0.10 0.08 -0.00 0.00 0.00 174.74 173.40 1iou s VAL 68 N -1.30 0.77 -0.21 -0.90 1.01 0.43 0.19 120.40 120.40 1iou s VAL 68 Ca 0.52 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.79 1iou s VAL 68 Cb -0.33 -0.70 0.10 0.00 0.00 0.00 0.00 36.38 35.45 1iou s VAL 68 CO 0.42 0.03 0.28 -0.31 0.00 0.00 0.00 175.10 175.52 1iou s TYR 69 N -0.60 -0.48 0.11 5.22 2.02 -0.94 -1.71 117.35 120.96 1iou s TYR 69 Ca 0.00 0.54 -0.11 0.00 -0.37 0.00 0.00 57.07 57.13 1iou s TYR 69 Cb -0.06 -0.19 -0.06 0.00 -0.40 0.00 0.00 41.96 41.25 1iou s TYR 69 CO 0.00 -0.61 0.45 0.00 -1.57 0.00 0.00 175.55 173.83 1iou s ALA 70 N 2.41 3.67 1.17 3.71 0.00 -1.00 -2.21 121.76 129.51 1iou s ALA 70 Ca 0.08 -0.29 -0.17 0.00 0.00 0.00 0.00 51.96 51.58 1iou s ALA 70 Cb -0.15 -2.36 0.25 0.00 0.00 0.00 0.00 23.12 20.85 1iou s ALA 70 CO -0.13 0.53 0.98 -2.13 0.00 0.00 0.00 175.76 175.00 1iou n ARG 71 N 0.84 -2.48 -0.26 0.00 0.00 -1.26 -4.32 116.66 109.19 1iou n ARG 71 Ca -0.07 -1.55 0.01 0.00 -0.00 0.00 0.00 57.85 56.24 1iou n ARG 71 Cb 0.52 -1.35 0.08 0.00 0.00 0.00 0.00 32.46 31.71 1iou n ARG 71 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1iou h SER 72 N -2.27 -0.76 0.00 6.15 0.87 -1.98 -3.19 113.55 112.38 1iou h SER 72 Ca -0.35 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 1iou h SER 72 Cb 1.06 0.48 0.00 0.00 -0.44 0.00 0.00 62.40 63.50 1iou h SER 72 CO 0.24 -0.25 0.00 1.21 -0.53 0.00 0.00 176.83 177.49 1iou n GLU 73 N -5.49 0.00 0.00 2.24 2.13 -1.26 -4.44 120.64 113.82 1iou n GLU 73 Ca 0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.92 1iou n GLU 73 Cb 0.38 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.09 1iou n GLU 73 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1iou n GLY 74 N 0.00 -1.72 3.40 8.31 0.00 -1.26 -4.94 105.19 108.98 1iou n GLY 74 Ca 0.00 0.76 -0.36 0.00 0.00 0.00 0.00 46.02 46.43 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 3.96 0.22 -0.61 -0.00 -1.26 -4.03 121.20 119.48 1iou s ILE 75 Ca 0.00 -0.29 -0.13 0.00 -0.00 0.00 0.00 60.65 60.22 1iou s ILE 75 Cb 0.00 -2.83 -0.08 0.00 -0.00 0.00 0.00 42.46 39.55 1iou s ILE 75 CO 0.00 0.38 0.60 0.00 -0.00 0.00 0.00 174.94 175.92 1iou s GLY 77 N -2.05 1.89 0.12 0.00 0.00 -0.94 0.13 107.32 106.46 1iou s GLY 77 Ca 0.45 -0.89 0.08 0.00 0.00 0.00 0.00 44.72 44.35 1iou s GLY 77 CO 0.20 -0.73 -0.11 0.14 0.00 0.00 0.00 173.10 172.60 1iou s VAL 78 N -1.03 3.23 -0.00 1.40 1.01 -0.53 -2.22 120.40 122.25 1iou s VAL 78 Ca 0.18 -1.39 0.02 0.00 0.00 0.00 0.00 61.98 60.79 1iou s VAL 78 Cb -0.11 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.74 1iou s VAL 78 CO 0.08 0.07 -0.07 -0.76 0.00 0.00 0.00 175.10 174.42 1iou s LEU 79 N -2.31 2.02 -0.15 3.92 1.43 0.50 -1.66 118.68 122.43 1iou s LEU 79 Ca 0.21 -0.14 -0.04 0.00 -1.03 0.00 0.00 54.13 53.13 1iou s LEU 79 Cb -0.11 -0.33 0.08 0.00 0.03 0.00 0.00 46.19 45.86 1iou s LEU 79 CO 0.13 0.07 0.26 0.27 0.23 0.00 0.00 176.35 177.31 1iou s ILE 80 N -0.21 -0.41 0.16 -0.59 -4.36 0.45 0.24 121.20 116.47 1iou s ILE 80 Ca 0.02 0.17 -0.11 0.00 -0.26 0.00 0.00 60.65 60.47 1iou s ILE 80 Cb -0.03 -0.52 0.00 0.00 1.25 0.00 0.00 42.46 43.16 1iou s ILE 80 CO -0.00 0.03 0.33 0.28 0.24 0.00 0.00 174.94 175.82 1iou s THR 81 N 2.41 0.07 0.98 8.37 -1.32 0.32 -0.87 115.64 125.61 1iou s THR 81 Ca 0.03 -1.17 -0.14 0.00 -1.21 0.00 0.00 61.69 59.20 1iou s THR 81 Cb -0.13 -1.67 0.04 0.00 -1.51 0.00 0.00 72.50 69.23 1iou s THR 81 CO -0.10 -0.31 0.31 -0.67 -2.21 0.00 0.00 174.62 171.64 1iou n ASP 82 N -0.22 -2.24 0.32 8.08 -0.08 0.29 0.16 116.55 122.86 1iou n ASP 82 Ca -0.10 0.25 0.21 0.00 -1.51 0.00 0.00 54.79 53.65 1iou n ASP 82 Cb 0.63 -1.15 1.10 0.00 2.34 0.00 0.00 41.12 44.03 1iou n ASP 82 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1iou h LYS 83 N -1.63 0.00 -0.52 -0.67 3.64 -1.84 -0.66 116.57 114.88 1iou h LYS 83 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1iou h LYS 83 Cb 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1iou h LYS 83 CO 0.34 0.01 0.00 1.04 -2.27 0.00 0.00 179.45 178.57 1iou n GLN 84 N -3.21 1.17 -3.69 1.90 1.13 -1.26 -4.22 117.38 109.20 1iou n GLN 84 Ca -0.02 -0.17 -0.27 0.00 -1.94 0.00 0.00 57.00 54.59 1iou n GLN 84 Cb 0.11 -1.30 -0.11 0.00 0.11 0.00 0.00 30.24 29.06 1iou n GLN 84 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 1iou n TYR 85 N -0.16 2.46 -0.86 1.08 4.19 -0.26 -4.88 117.16 118.74 1iou n TYR 85 Ca 0.02 -4.08 -0.30 0.00 3.31 0.00 0.00 57.90 56.85 1iou n TYR 85 Cb 0.18 -0.45 0.06 0.00 0.49 0.00 0.00 39.34 39.62 1iou n TYR 85 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1iou n PRO 86 N 1.86 -0.52 0.12 2.98 -0.04 -1.26 -4.80 135.00 133.34 1iou n PRO 86 Ca 0.24 -0.15 -0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1iou n PRO 86 Cb 0.39 -1.18 0.04 0.00 -0.04 0.00 0.00 33.50 32.71 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 -1.51 1.17 -0.04 0.52 2.07 -1.97 -3.22 116.25 113.27 1iou h VAL 87 Ca -0.35 -2.49 0.03 0.00 0.82 0.00 0.00 66.70 64.72 1iou h VAL 87 Cb 1.12 2.47 -0.05 0.00 -1.52 0.00 0.00 31.29 33.32 1iou h VAL 87 CO 0.21 0.63 -0.22 0.03 0.02 0.00 0.00 177.57 178.24 1iou h ARG 88 N 0.00 -0.31 0.00 1.57 2.47 -1.99 1.03 114.38 117.15 1iou h ARG 88 Ca -0.01 0.02 -0.12 0.00 -1.26 0.00 0.00 59.98 58.62 1iou h ARG 88 Cb 1.41 0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 29.79 1iou h ARG 88 CO 0.08 -0.21 -0.56 -1.35 0.56 0.00 0.00 179.97 178.50 1iou h PRO 89 N -0.33 0.00 -0.00 0.04 0.11 -1.93 -1.69 132.00 128.20 1iou h PRO 89 Ca 0.07 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.10 1iou h PRO 89 Cb 0.43 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 1iou h PRO 89 CO -0.23 0.56 -0.39 0.00 -0.21 0.00 0.00 178.00 177.72 1iou h ALA 90 N 1.44 1.35 -0.21 -0.75 0.00 -1.35 0.40 119.26 120.14 1iou h ALA 90 Ca -0.01 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.43 1iou h ALA 90 Cb 0.99 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1iou h ALA 90 CO 0.07 0.49 -0.30 -0.92 0.00 0.00 0.00 179.25 178.59 1iou h TYR 91 N 0.00 0.71 -0.65 0.00 3.20 0.18 0.25 116.97 120.65 1iou h TYR 91 Ca -0.00 -0.24 -0.03 0.00 3.14 0.00 0.00 58.73 61.60 1iou h TYR 91 Cb 0.70 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.80 1iou h TYR 91 CO 0.00 0.96 0.28 1.15 -1.64 0.00 0.00 178.16 178.91 1iou h THR 92 N 0.25 1.23 0.43 1.81 2.02 -0.73 0.34 112.91 118.27 1iou h THR 92 Ca 0.02 -0.71 -0.02 0.00 0.77 0.00 0.00 66.41 66.47 1iou h THR 92 Cb 0.88 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1iou h THR 92 CO 0.07 0.28 -0.21 0.25 0.37 0.00 0.00 175.52 176.29 1iou h LEU 93 N 0.91 -0.49 0.00 2.58 7.12 -0.10 -1.48 115.31 123.85 1iou h LEU 93 Ca 0.22 -0.05 0.00 0.00 0.13 0.00 0.00 57.88 58.18 1iou h LEU 93 Cb 0.18 0.13 0.00 0.00 -0.53 0.00 0.00 40.66 40.44 1iou h LEU 93 CO -0.02 -0.25 0.00 -0.11 -0.13 0.00 0.00 178.44 177.93 1iou n LEU 94 N -5.29 0.00 -0.02 2.25 0.00 0.87 -1.97 117.00 112.83 1iou n LEU 94 Ca -0.11 0.42 -0.11 0.00 0.00 0.00 0.00 56.01 56.21 1iou n LEU 94 Cb 0.28 -0.42 -0.10 0.00 0.00 0.00 0.00 43.42 43.18 1iou n LEU 94 CO 0.34 -0.27 0.39 0.78 0.00 0.00 0.00 177.39 178.63 1iou h ASN 95 N 0.00 -0.05 0.05 1.96 2.35 0.72 -2.69 115.58 117.92 1iou h ASN 95 Ca 0.00 -0.62 -0.14 0.00 -0.55 0.00 0.00 56.30 54.99 1iou h ASN 95 Cb 0.16 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 1iou h ASN 95 CO 0.00 0.68 -0.46 0.11 -1.65 0.00 0.00 177.43 176.11 1iou h LYS 96 N -0.88 0.49 0.44 0.81 1.79 -1.14 -2.29 116.57 115.78 1iou h LYS 96 Ca -0.01 -0.27 -0.02 0.00 -2.18 0.00 0.00 60.65 58.17 1iou h LYS 96 Cb 0.67 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.34 1iou h LYS 96 CO 0.01 0.85 -0.21 0.97 -1.08 0.00 0.00 179.45 179.99 1iou h ILE 97 N 0.39 0.56 -0.88 1.86 2.10 -1.51 1.07 117.51 121.11 1iou h ILE 97 Ca 0.02 -0.25 0.01 0.00 1.08 0.00 0.00 64.86 65.72 1iou h ILE 97 Cb 0.96 0.68 -0.04 0.00 -1.09 0.00 0.00 36.82 37.33 1iou h ILE 97 CO 0.08 0.05 0.57 -0.07 -1.08 0.00 0.00 178.15 177.70 1iou h LEU 98 N -0.74 1.02 -1.18 2.19 4.07 -1.53 0.88 115.31 120.02 1iou h LEU 98 Ca -0.06 -0.03 -0.07 0.00 0.08 0.00 0.00 57.88 57.79 1iou h LEU 98 Cb 0.52 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.00 1iou h LEU 98 CO 0.10 0.75 -0.36 -0.78 -1.08 0.00 0.00 178.44 177.07 1iou h ASP 99 N 1.19 0.00 0.08 -0.43 3.58 -1.30 -1.86 116.42 117.69 1iou h ASP 99 Ca 0.32 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.50 1iou h ASP 99 Cb -0.12 0.00 0.02 0.00 1.72 0.00 0.00 39.33 40.95 1iou h ASP 99 CO -0.07 0.36 -1.06 -0.08 -2.88 0.00 0.00 179.24 175.51 1iou h GLU 100 N 0.00 0.64 0.00 0.28 4.57 0.32 -3.03 114.58 117.36 1iou h GLU 100 Ca -0.00 -0.71 -0.04 0.00 -1.18 0.00 0.00 59.36 57.42 1iou h GLU 100 Cb 0.75 0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 29.54 1iou h GLU 100 CO 0.05 1.30 -0.21 -0.92 -1.18 0.00 0.00 179.01 178.05 1iou h TYR 101 N 0.35 0.00 -0.40 0.92 3.20 0.10 -2.19 116.97 118.95 1iou h TYR 101 Ca -0.13 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.66 1iou h TYR 101 Cb 1.71 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.96 1iou h TYR 101 CO 0.10 0.21 -0.10 -0.07 -1.64 0.00 0.00 178.16 176.65 1iou h LEU 102 N 0.00 0.70 -0.01 2.82 4.07 -1.23 -3.23 115.31 118.42 1iou h LEU 102 Ca -0.00 -0.20 -0.01 0.00 0.08 0.00 0.00 57.88 57.75 1iou h LEU 102 Cb 0.38 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 41.93 1iou h LEU 102 CO 0.03 0.83 -0.02 0.58 -1.08 0.00 0.00 178.44 178.78 1iou h VAL 103 N 0.65 1.40 -0.12 1.22 2.07 -1.31 -3.07 116.25 117.09 1iou h VAL 103 Ca 0.11 -1.21 0.03 0.00 0.82 0.00 0.00 66.70 66.46 1iou h VAL 103 Cb 0.55 2.19 -0.00 0.00 -1.52 0.00 0.00 31.29 32.51 1iou h VAL 103 CO 0.03 0.32 0.79 0.00 0.02 0.00 0.00 177.57 178.73 1iou h ALA 104 N 0.50 1.89 -1.35 1.67 0.00 -1.54 -3.38 119.26 117.06 1iou h ALA 104 Ca 0.00 -0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.06 1iou h ALA 104 Cb 0.53 0.01 -0.30 0.00 0.00 0.00 0.00 17.79 18.03 1iou h ALA 104 CO 0.00 -0.85 0.54 -3.38 0.00 0.00 0.00 179.25 175.57 1iou s HIS 105 N -4.10 -0.36 0.46 0.00 0.00 -1.16 -5.12 115.29 105.01 1iou s HIS 105 Ca -0.01 0.73 -0.11 0.00 -3.00 0.00 0.00 55.06 52.67 1iou s HIS 105 Cb 0.05 0.24 -0.09 0.00 -4.00 0.00 0.00 32.58 28.78 1iou s HIS 105 CO 0.16 -0.18 -0.27 -2.30 -1.00 0.00 0.00 174.74 171.14 1iou n PRO 106 N 3.30 0.00 -0.09 -0.38 -0.02 -1.23 -4.57 135.00 132.00 1iou n PRO 106 Ca -0.17 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.19 1iou n PRO 106 Cb 0.57 -0.62 -0.08 0.00 -0.02 0.00 0.00 33.50 33.34 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 -0.29 -0.35 0.00 -0.52 1.57 -1.96 -1.60 116.57 113.42 1iou h LYS 107 Ca -0.26 0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.46 1iou h LYS 107 Cb 0.86 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 1iou h LYS 107 CO 0.21 -0.23 -0.39 0.93 -0.57 0.00 0.00 179.45 179.40 1iou h GLU 108 N -0.36 0.00 -0.71 3.15 5.08 -1.97 -3.12 114.58 116.65 1iou h GLU 108 Ca 0.05 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.56 1iou h GLU 108 Cb 0.50 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.62 1iou h GLU 108 CO -0.46 0.39 -0.16 1.49 -1.00 0.00 0.00 179.01 179.27 1iou h GLU 109 N 0.00 0.01 0.02 2.33 4.81 -1.57 -2.69 114.58 117.48 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 0.83 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.21 1iou h GLU 109 CO 0.05 0.01 -0.01 0.11 -0.73 0.00 0.00 179.01 178.44 1iou h TRP 110 N 0.01 -0.02 -5.01 0.92 5.08 -1.58 -3.45 115.95 111.91 1iou h TRP 110 Ca 0.35 -0.00 -0.11 0.00 1.08 0.00 0.00 58.89 60.21 1iou h TRP 110 Cb 0.54 0.01 -0.07 0.00 -3.00 0.00 0.00 29.16 26.64 1iou h TRP 110 CO -0.55 0.56 -0.16 0.00 -1.28 0.00 0.00 178.44 177.01 1iou n ALA 111 N -2.66 -0.93 0.00 0.11 0.00 -1.02 0.15 120.51 116.16 1iou n ALA 111 Ca -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1iou n ALA 111 Cb 0.28 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 18.94 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 -1.49 0.00 -1.65 0.00 8.00 -1.26 -4.82 116.55 115.32 1iou n ASP 112 Ca 0.02 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.51 1iou n ASP 112 Cb 0.44 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.53 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 -6.00 0.25 2.53 0.31 0.39 -4.64 118.33 111.17 1iou n VAL 113 Ca 0.00 0.97 -0.03 0.00 -0.01 0.00 0.00 64.34 65.28 1iou n VAL 113 Cb 0.00 -4.27 0.11 0.00 -0.91 0.00 0.00 33.84 28.78 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 0.57 1.38 -2.73 2.52 -2.24 -1.26 -4.38 114.28 108.14 1iou n THR 114 Ca -0.07 -0.60 -0.05 0.00 -2.27 0.00 0.00 64.05 61.06 1iou n THR 114 Cb 0.11 -0.60 0.03 0.00 -2.10 0.00 0.00 70.33 67.78 1iou n THR 114 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1iou n GLU 115 N 0.08 0.47 -4.10 -0.78 0.28 -1.26 -5.16 120.64 110.17 1iou n GLU 115 Ca 0.16 -1.56 -0.20 0.00 -0.16 0.00 0.00 57.16 55.40 1iou n GLU 115 Cb 0.75 -1.02 -0.07 0.00 1.43 0.00 0.00 31.44 32.54 1iou n GLU 115 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1iou n THR 116 N 2.35 0.00 -1.27 3.84 -1.04 -1.26 -5.04 114.28 111.86 1iou n THR 116 Ca 0.12 -2.19 0.00 0.00 -2.04 0.00 0.00 64.05 59.95 1iou n THR 116 Cb 0.61 0.94 0.00 0.00 -1.82 0.00 0.00 70.33 70.07 1iou n THR 116 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1iou n ASN 117 N -1.70 0.00 0.23 8.00 5.03 0.29 -4.75 115.26 122.37 1iou n ASN 117 Ca 0.01 0.00 0.16 0.00 0.87 0.00 0.00 54.58 55.62 1iou n ASN 117 Cb 0.55 0.00 0.83 0.00 -1.02 0.00 0.00 39.78 40.15 1iou n ASN 117 CO 0.00 0.00 0.00 -2.24 -1.83 0.00 0.00 177.26 173.19 1iou h ASP 118 N 0.00 0.00 0.73 6.41 3.04 -1.85 0.02 116.42 124.77 1iou h ASP 118 Ca 0.00 0.00 -0.20 0.00 -3.24 0.00 0.00 57.03 53.59 1iou h ASP 118 Cb 0.00 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.27 1iou h ASP 118 CO 0.00 0.00 -0.91 0.00 -2.04 0.00 0.00 179.24 176.29 1iou h ALA 119 N 1.97 0.50 -0.29 4.15 0.00 -1.92 -3.08 119.26 120.57 1iou h ALA 119 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1iou h ALA 119 Cb 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1iou h ALA 119 CO 0.00 1.01 0.00 1.28 0.00 0.00 0.00 179.25 181.54 1iou n LEU 120 N -3.57 1.95 0.00 0.00 7.99 -0.02 -4.93 117.00 118.43 1iou n LEU 120 Ca -0.02 -0.91 0.00 0.00 -0.01 0.00 0.00 56.01 55.07 1iou n LEU 120 Cb 0.84 -0.19 0.00 0.00 -0.11 0.00 0.00 43.42 43.96 1iou n LEU 120 CO 0.47 0.45 0.00 2.29 -1.51 0.00 0.00 177.39 179.10 1iou n LYS 121 N 0.53 -0.89 -3.79 3.23 2.85 -1.15 -4.93 118.16 114.02 1iou n LYS 121 Ca 0.15 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.28 1iou n LYS 121 Cb 0.34 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.59 1iou n LYS 121 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1iou s MET 122 N -2.09 0.19 0.62 -1.58 0.23 -1.26 -5.01 119.30 110.40 1iou s MET 122 Ca 0.00 0.30 0.28 0.00 -1.03 0.00 0.00 55.69 55.24 1iou s MET 122 Cb 0.00 0.03 1.45 0.00 -1.53 0.00 0.00 34.83 34.78 1iou s MET 122 CO 0.00 -0.06 1.85 0.87 -2.03 0.00 0.00 175.02 175.64 1iou h LYS 123 N 6.25 0.00 0.21 3.16 6.56 -1.98 -2.24 116.57 128.53 1iou h LYS 123 Ca -0.30 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.28 1iou h LYS 123 Cb 1.18 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 1iou h LYS 123 CO 0.40 0.00 -0.10 1.96 -2.06 0.00 0.00 179.45 179.65 1iou h GLN 124 N 0.00 -0.28 -0.45 3.15 1.08 -1.97 0.41 115.11 117.05 1iou h GLN 124 Ca 0.14 0.02 0.13 0.00 -1.45 0.00 0.00 58.65 57.49 1iou h GLN 124 Cb 1.09 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 28.57 1iou h GLN 124 CO -0.00 -0.18 0.33 1.37 -0.95 0.00 0.00 178.83 179.40 1iou h LEU 125 N -0.33 0.00 0.13 1.46 8.10 -1.81 0.19 115.31 123.06 1iou h LEU 125 Ca -0.03 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.95 1iou h LEU 125 Cb 0.22 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.44 1iou h LEU 125 CO 0.05 0.00 -0.06 0.44 -4.11 0.00 0.00 178.44 174.76 1iou h ASP 126 N 0.00 -0.15 -0.13 0.17 3.32 -1.37 -2.45 116.42 115.81 1iou h ASP 126 Ca 0.22 -0.12 0.04 0.00 0.02 0.00 0.00 57.03 57.19 1iou h ASP 126 Cb 0.88 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 1iou h ASP 126 CO -0.00 0.38 0.12 0.74 -1.72 0.00 0.00 179.24 178.76 1iou h THR 127 N -1.03 0.69 0.24 0.35 2.02 0.11 -2.17 112.91 113.12 1iou h THR 127 Ca -0.02 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 1iou h THR 127 Cb 0.25 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1iou h THR 127 CO 0.03 0.00 -0.11 1.88 0.37 0.00 0.00 175.52 177.69 1iou h TYR 128 N 0.00 -0.29 -0.55 3.16 -1.99 -0.70 -2.42 116.97 114.18 1iou h TYR 128 Ca 0.06 -0.01 0.16 0.00 2.00 0.00 0.00 58.73 60.94 1iou h TYR 128 Cb 0.30 0.10 -0.02 0.00 2.00 0.00 0.00 36.73 39.10 1iou h TYR 128 CO 0.00 -0.00 0.44 0.97 -0.00 0.00 0.00 178.16 179.57 1iou h ILE 129 N -1.00 0.59 -0.01 -2.88 -0.00 -1.14 1.16 117.51 114.23 1iou h ILE 129 Ca -0.03 0.00 -0.05 0.00 -0.00 0.00 0.00 64.86 64.77 1iou h ILE 129 Cb 0.43 0.68 0.00 0.00 -0.00 0.00 0.00 36.82 37.93 1iou h ILE 129 CO 0.05 0.00 -0.21 -1.28 -0.00 0.00 0.00 178.15 176.71 1iou h SER 130 N 0.00 0.19 1.42 2.19 0.87 -1.43 -3.25 113.55 113.54 1iou h SER 130 Ca 0.26 -0.76 0.00 0.00 -1.23 0.00 0.00 61.79 60.06 1iou h SER 130 Cb 1.13 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 1iou h SER 130 CO -0.00 0.93 -0.37 0.07 -0.53 0.00 0.00 176.83 176.92 1iou h LYS 131 N -0.52 0.00 0.00 2.24 5.09 -0.76 -3.29 116.57 119.33 1iou h LYS 131 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.72 1iou h LYS 131 Cb 0.95 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.28 1iou h LYS 131 CO 0.04 0.00 0.00 0.66 -2.09 0.00 0.00 179.45 178.06 1iou n TYR 132 N -2.62 0.87 -0.33 0.07 4.02 0.39 -3.78 117.16 115.77 1iou n TYR 132 Ca 0.03 0.26 0.36 0.00 -0.01 0.00 0.00 57.90 58.54 1iou n TYR 132 Cb 0.50 -0.93 0.70 0.00 -0.02 0.00 0.00 39.34 39.59 1iou n TYR 132 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 176.86 175.29 1iou h GLN 133 N 0.00 0.00 -6.65 -0.72 3.07 -1.63 -3.40 115.11 105.78 1iou h GLN 133 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 58.65 58.24 1iou h GLN 133 Cb 0.69 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.22 1iou h GLN 133 CO 0.00 0.00 0.09 -0.51 0.09 0.00 0.00 178.83 178.50 1iou s ASP 134 N -4.45 6.87 0.36 0.06 1.01 -1.25 -3.93 116.67 115.34 1iou s ASP 134 Ca -0.04 1.31 0.18 0.00 0.71 0.00 0.00 52.55 54.71 1iou s ASP 134 Cb 0.21 -2.38 0.61 0.00 1.01 0.00 0.00 42.92 42.36 1iou s ASP 134 CO 0.71 -0.11 1.70 1.55 0.21 0.00 0.00 175.17 179.23 1iou h PRO 135 N 2.71 0.00 -0.32 8.23 0.13 -1.90 -3.12 132.00 137.73 1iou h PRO 135 Ca -0.48 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.75 1iou h PRO 135 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1iou h PRO 135 CO 0.65 0.40 0.39 1.03 -0.23 0.00 0.00 178.00 180.25 1iou h SER 136 N 0.00 0.00 -1.86 1.44 0.87 -1.94 -3.45 113.55 108.62 1iou h SER 136 Ca -0.00 0.00 -0.39 0.00 -1.23 0.00 0.00 61.79 60.17 1iou h SER 136 Cb 0.95 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 62.81 1iou h SER 136 CO 0.05 0.00 -0.40 0.00 -0.53 0.00 0.00 176.83 175.95 1iou n GLN 137 N -3.63 -1.56 -3.64 2.24 6.02 -1.18 -1.70 117.38 113.93 1iou n GLN 137 Ca 0.05 1.05 -0.27 0.00 -0.01 0.00 0.00 57.00 57.82 1iou n GLN 137 Cb 0.54 -5.51 0.03 0.00 1.02 0.00 0.00 30.24 26.32 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 -0.01 -1.19 -2.62 -1.58 0.00 -1.26 -0.63 120.51 113.21 1iou n ALA 138 Ca -0.20 0.22 -0.19 0.00 0.00 0.00 0.00 53.44 53.26 1iou n ALA 138 Cb 0.64 -4.21 0.01 0.00 0.00 0.00 0.00 19.45 15.89 1iou n ALA 138 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1iou n ASP 139 N -2.70 -5.55 -0.11 0.00 2.03 -0.69 -5.25 116.55 104.29 1iou n ASP 139 Ca 0.01 -0.13 0.16 0.00 0.52 0.00 0.00 54.79 55.34 1iou n ASP 139 Cb 0.55 -4.50 0.86 0.00 -0.72 0.00 0.00 41.12 37.30 1iou n ASP 139 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28