#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 0.86 -2.05 0.03 1.74 -1.26 -4.77 116.66 111.21 1iou n ARG 2 Ca 0.00 -2.02 -0.41 0.00 -0.77 0.00 0.00 57.85 54.65 1iou n ARG 2 Cb 0.00 2.34 -0.02 0.00 -1.02 0.00 0.00 32.46 33.76 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 -2.39 2.58 -0.02 0.55 2.07 -1.26 -1.94 121.20 120.79 1iou s ILE 3 Ca 0.17 0.58 0.02 0.00 -1.41 0.00 0.00 60.65 60.01 1iou s ILE 3 Cb -0.03 -3.37 -0.03 0.00 0.13 0.00 0.00 42.46 39.16 1iou s ILE 3 CO 0.12 0.14 0.02 -1.22 -1.91 0.00 0.00 174.94 172.09 1iou n TYR 4 N 0.68 0.00 -3.86 3.50 4.01 -1.02 -4.74 117.16 115.74 1iou n TYR 4 Ca 0.00 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.64 1iou n TYR 4 Cb 0.41 -0.12 -0.09 0.00 -0.31 0.00 0.00 39.34 39.24 1iou n TYR 4 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1iou s TYR 5 N -2.09 0.06 0.16 -0.72 6.14 0.68 0.14 117.35 121.73 1iou s TYR 5 Ca -0.01 -0.26 -0.12 0.00 0.64 0.00 0.00 57.07 57.32 1iou s TYR 5 Cb 0.01 -0.04 0.01 0.00 0.42 0.00 0.00 41.96 42.35 1iou s TYR 5 CO 0.11 -0.39 0.36 0.42 0.64 0.00 0.00 175.55 176.69 1iou s ILE 6 N -2.30 0.06 -3.75 3.14 1.01 -0.52 -0.17 121.20 118.67 1iou s ILE 6 Ca -0.07 -1.07 0.00 0.00 0.00 0.00 0.00 60.65 59.50 1iou s ILE 6 Cb -0.02 -1.61 0.00 0.00 0.01 0.00 0.00 42.46 40.84 1iou s ILE 6 CO -0.03 -0.29 0.00 0.61 0.00 0.00 0.00 174.94 175.23 1iou n GLY 7 N -0.23 -0.89 3.23 6.18 0.00 0.13 -0.60 105.19 113.01 1iou n GLY 7 Ca -0.10 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.74 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 -3.00 0.06 -0.17 1.61 1.01 0.10 -1.59 120.40 118.42 1iou s VAL 8 Ca 0.00 -0.46 -0.09 0.00 0.00 0.00 0.00 61.98 61.43 1iou s VAL 8 Cb 0.00 -0.60 0.06 0.00 0.00 0.00 0.00 36.38 35.84 1iou s VAL 8 CO 0.00 -0.25 0.41 -0.36 0.00 0.00 0.00 175.10 174.90 1iou s PHE 9 N -1.24 -0.58 -0.22 5.22 0.40 0.24 -0.47 117.98 121.32 1iou s PHE 9 Ca -0.13 1.26 -0.20 0.00 -0.60 0.00 0.00 56.93 57.26 1iou s PHE 9 Cb -0.05 0.25 -0.02 0.00 0.51 0.00 0.00 43.02 43.71 1iou s PHE 9 CO 0.04 -0.33 0.60 0.50 0.70 0.00 0.00 175.22 176.73 1iou s ARG 10 N 1.31 4.16 -0.73 0.44 3.00 -1.15 -1.71 118.95 124.26 1iou s ARG 10 Ca -0.09 0.53 -0.25 0.00 -1.00 0.00 0.00 55.73 54.93 1iou s ARG 10 Cb -0.08 -3.61 -0.15 0.00 0.00 0.00 0.00 34.95 31.12 1iou s ARG 10 CO -0.12 -0.30 2.41 -1.13 0.00 0.00 0.00 175.30 176.17 1iou n SER 11 N 5.29 1.49 0.00 -2.12 3.41 -0.74 -1.30 113.62 119.64 1iou n SER 11 Ca -0.02 -0.90 0.00 0.00 -0.26 0.00 0.00 58.87 57.69 1iou n SER 11 Cb 0.50 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.00 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 6.36 1.12 0.00 5.00 0.00 -1.14 -4.95 105.19 111.58 1iou n GLY 12 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 2.20 0.09 0.21 -0.02 0.00 -1.26 -4.95 105.19 101.46 1iou n GLY 13 Ca 0.00 0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.24 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 0.00 1.61 5.08 -2.00 -3.46 114.58 115.81 1iou h GLU 14 Ca 0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.11 1iou h GLU 14 Cb 0.00 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 1iou h GLU 14 CO 0.00 0.29 -0.18 0.36 -1.00 0.00 0.00 179.01 178.48 1iou n LYS 15 N -3.61 0.45 -3.60 2.33 0.00 -1.26 -5.02 118.16 107.45 1iou n LYS 15 Ca -0.01 -2.15 -0.36 0.00 -0.00 0.00 0.00 58.31 55.79 1iou n LYS 15 Cb 0.42 1.97 -0.07 0.00 -0.00 0.00 0.00 35.03 37.35 1iou n LYS 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1iou s ALA 16 N -2.61 3.64 0.41 0.58 0.00 -1.13 -2.87 121.76 119.79 1iou s ALA 16 Ca 0.23 -0.49 -0.26 0.00 0.00 0.00 0.00 51.96 51.44 1iou s ALA 16 Cb -0.00 -2.31 -0.09 0.00 0.00 0.00 0.00 23.12 20.72 1iou s ALA 16 CO 0.17 0.19 1.36 -1.17 0.00 0.00 0.00 175.76 176.30 1iou s LEU 17 N 0.17 4.21 -1.07 0.00 2.96 -0.42 -4.80 118.68 119.73 1iou s LEU 17 Ca 0.16 2.77 -0.10 0.00 -0.22 0.00 0.00 54.13 56.74 1iou s LEU 17 Cb -0.13 -3.88 -0.07 0.00 0.50 0.00 0.00 46.19 42.62 1iou s LEU 17 CO 0.04 -0.93 2.25 -0.62 -1.32 0.00 0.00 176.35 175.77 1iou n GLU 18 N 0.10 2.36 -0.33 1.98 1.02 -1.26 -2.95 120.64 121.56 1iou n GLU 18 Ca 0.04 -1.76 0.22 0.00 -0.02 0.00 0.00 57.16 55.63 1iou n GLU 18 Cb 0.43 -2.67 0.49 0.00 -0.02 0.00 0.00 31.44 29.67 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 9.18 0.48 -7.00 -4.62 5.85 -1.27 -3.37 115.31 114.55 1iou h LEU 19 Ca 0.56 0.09 0.12 0.00 0.84 0.00 0.00 57.88 59.49 1iou h LEU 19 Cb 0.31 0.01 -0.28 0.00 0.37 0.00 0.00 40.66 41.08 1iou h LEU 19 CO 1.64 0.09 0.49 -0.44 -0.34 0.00 0.00 178.44 179.88 1iou s SER 20 N -5.25 -0.40 -0.17 1.25 0.01 0.38 -3.62 113.70 105.89 1iou s SER 20 Ca -0.09 0.68 -0.01 0.00 1.31 0.00 0.00 55.95 57.84 1iou s SER 20 Cb 0.25 1.00 0.05 0.00 0.21 0.00 0.00 66.02 67.54 1iou s SER 20 CO 0.80 -0.11 -0.01 -0.70 0.41 0.00 0.00 173.24 173.63 1iou s GLU 21 N 0.91 1.01 -0.04 12.44 2.12 -1.26 0.03 118.70 133.91 1iou s GLU 21 Ca -0.04 -0.44 0.07 0.00 0.36 0.00 0.00 54.97 54.92 1iou s GLU 21 Cb -0.04 -1.96 -0.01 0.00 0.26 0.00 0.00 34.13 32.37 1iou s GLU 21 CO -0.12 -0.52 -0.24 0.54 -0.54 0.00 0.00 175.26 174.38 1iou s VAL 22 N 1.75 1.94 0.31 3.70 0.11 0.23 -4.81 120.40 123.62 1iou s VAL 22 Ca -0.00 -1.03 0.10 0.00 -2.93 0.00 0.00 61.98 58.12 1iou s VAL 22 Cb -0.16 -1.62 -0.05 0.00 -1.53 0.00 0.00 36.38 33.02 1iou s VAL 22 CO -0.07 0.54 -0.06 -0.54 -3.33 0.00 0.00 175.10 171.65 1iou s LYS 23 N -0.36 2.00 -0.22 1.54 1.02 -1.26 -1.44 119.74 121.02 1iou s LYS 23 Ca 0.03 -1.70 -0.03 0.00 0.02 0.00 0.00 55.97 54.29 1iou s LYS 23 Cb -0.11 -1.92 0.07 0.00 -0.52 0.00 0.00 37.83 35.35 1iou s LYS 23 CO 0.01 0.24 0.07 0.34 -0.92 0.00 0.00 175.35 175.09 1iou s ASP 24 N -3.64 3.01 -0.94 2.83 -1.08 0.37 -4.92 116.67 112.31 1iou s ASP 24 Ca 0.33 -0.95 -0.01 0.00 -0.52 0.00 0.00 52.55 51.40 1iou s ASP 24 Cb -0.03 -0.51 0.29 0.00 -1.46 0.00 0.00 42.92 41.22 1iou s ASP 24 CO 0.18 -0.35 1.28 0.18 0.52 0.00 0.00 175.17 176.98 1iou n LEU 25 N 5.11 5.69 0.00 -1.34 7.99 -1.26 -4.68 117.00 128.50 1iou n LEU 25 Ca -0.07 -5.31 0.00 0.00 -0.01 0.00 0.00 56.01 50.62 1iou n LEU 25 Cb 0.46 -1.08 0.00 0.00 -0.11 0.00 0.00 43.42 42.70 1iou n LEU 25 CO 0.11 1.84 0.34 -1.20 -1.51 0.00 0.00 177.39 176.96 1iou n SER 26 N 1.06 0.00 0.07 -1.43 7.64 -1.26 -4.23 113.62 115.46 1iou n SER 26 Ca 0.28 0.68 0.11 0.00 1.01 0.00 0.00 58.87 60.96 1iou n SER 26 Cb 0.35 -0.20 -0.03 0.00 -1.01 0.00 0.00 64.21 63.33 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 -1.10 0.56 -1.56 1.43 1.13 -1.26 -4.87 117.38 111.71 1iou n GLN 27 Ca 0.00 0.03 -0.41 0.00 -1.94 0.00 0.00 57.00 54.68 1iou n GLN 27 Cb 0.00 -1.72 -0.04 0.00 0.11 0.00 0.00 30.24 28.59 1iou n GLN 27 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1iou n PHE 28 N -2.46 1.68 -0.12 1.08 3.01 -1.26 -4.94 117.46 114.45 1iou n PHE 28 Ca -0.00 0.02 -0.07 0.00 1.01 0.00 0.00 57.45 58.40 1iou n PHE 28 Cb 0.53 -2.66 0.07 0.00 -0.01 0.00 0.00 39.48 37.41 1iou n PHE 28 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1iou n GLY 29 N 5.97 -2.72 0.21 1.37 0.00 -1.26 -4.01 105.19 104.74 1iou n GLY 29 Ca 0.35 -0.89 -0.00 0.00 0.00 0.00 0.00 46.02 45.48 1iou n GLY 29 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1iou h PHE 30 N -2.20 0.26 0.00 1.61 -5.15 -1.98 0.20 116.94 109.67 1iou h PHE 30 Ca -0.09 -0.05 -0.23 0.00 -0.20 0.00 0.00 57.97 57.40 1iou h PHE 30 Cb 0.32 -0.06 -0.04 0.00 0.22 0.00 0.00 35.95 36.39 1iou h PHE 30 CO 0.00 0.52 -1.35 0.27 -2.00 0.00 0.00 178.31 175.74 1iou h PHE 31 N 0.20 0.00 0.02 6.09 -0.00 -2.01 -3.35 116.94 117.91 1iou h PHE 31 Ca 0.03 0.00 -0.21 0.00 -0.00 0.00 0.00 57.97 57.79 1iou h PHE 31 Cb 0.64 0.00 0.02 0.00 -0.00 0.00 0.00 35.95 36.61 1iou h PHE 31 CO 0.01 0.85 -0.85 1.49 -0.00 0.00 0.00 178.31 179.82 1iou h GLU 32 N 0.00 0.53 -0.93 6.09 4.81 -1.79 -3.26 114.58 120.03 1iou h GLU 32 Ca -0.16 -0.60 0.19 0.00 -0.13 0.00 0.00 59.36 58.65 1iou h GLU 32 Cb 1.80 0.18 -0.11 0.00 0.63 0.00 0.00 28.75 31.25 1iou h GLU 32 CO 0.08 1.22 0.51 0.07 -0.73 0.00 0.00 179.01 180.17 1iou h ARG 33 N 0.09 0.61 0.86 1.92 0.11 -0.74 0.42 114.38 117.65 1iou h ARG 33 Ca -0.11 -0.04 -0.04 0.00 0.10 0.00 0.00 59.98 59.89 1iou h ARG 33 Cb 1.54 -0.14 0.01 0.00 1.11 0.00 0.00 29.97 32.49 1iou h ARG 33 CO 0.17 0.40 -0.41 1.03 0.10 0.00 0.00 179.97 181.26 1iou h SER 34 N 0.63 -0.97 0.41 0.08 0.87 -1.69 0.53 113.55 113.41 1iou h SER 34 Ca 0.54 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 61.12 1iou h SER 34 Cb 0.88 0.25 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 1iou h SER 34 CO -0.41 -0.69 -0.20 0.28 -0.53 0.00 0.00 176.83 175.28 1iou h SER 35 N -1.16 -0.47 -0.21 6.23 0.02 -1.43 -2.65 113.55 113.88 1iou h SER 35 Ca -0.12 -0.02 0.03 0.00 -0.84 0.00 0.00 61.79 60.84 1iou h SER 35 Cb 0.88 0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.52 1iou h SER 35 CO 0.19 -0.28 0.05 0.58 -1.14 0.00 0.00 176.83 176.24 1iou h VAL 36 N -0.62 0.92 -0.41 2.27 2.07 -0.23 -1.41 116.25 118.83 1iou h VAL 36 Ca -0.06 -0.05 0.08 0.00 0.82 0.00 0.00 66.70 67.49 1iou h VAL 36 Cb 0.46 0.76 -0.09 0.00 -1.52 0.00 0.00 31.29 30.90 1iou h VAL 36 CO 0.09 0.03 -0.36 1.23 0.02 0.00 0.00 177.57 178.58 1iou h GLY 37 N 0.14 -0.35 1.93 2.17 0.00 0.12 1.01 103.07 108.09 1iou h GLY 37 Ca 0.10 0.46 0.01 0.00 0.00 0.00 0.00 47.33 47.90 1iou h GLY 37 CO -0.12 -0.20 0.03 1.46 0.00 0.00 0.00 176.54 177.71 1iou h GLN 38 N -0.27 0.00 -0.36 4.80 4.20 -1.27 -0.54 115.11 121.67 1iou h GLN 38 Ca 0.17 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.74 1iou h GLN 38 Cb 0.56 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 1iou h GLN 38 CO -0.56 0.00 -0.32 0.35 -0.67 0.00 0.00 178.83 177.63 1iou h PHE 39 N 0.00 1.00 0.81 2.96 3.04 0.18 -2.06 116.94 122.88 1iou h PHE 39 Ca 0.02 -0.29 -0.04 0.00 3.98 0.00 0.00 57.97 61.63 1iou h PHE 39 Cb 0.07 -0.21 0.01 0.00 2.56 0.00 0.00 35.95 38.37 1iou h PHE 39 CO 0.00 1.08 -0.39 0.52 -2.02 0.00 0.00 178.31 177.50 1iou h MET 40 N 0.64 -1.05 0.50 1.11 2.86 0.20 -2.17 114.93 117.02 1iou h MET 40 Ca 0.06 0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 1iou h MET 40 Cb 0.90 0.24 -0.02 0.00 0.06 0.00 0.00 31.60 32.77 1iou h MET 40 CO 0.08 -0.69 -0.50 1.15 1.06 0.00 0.00 176.91 178.00 1iou h THR 41 N -1.25 0.02 -0.96 2.22 2.02 -1.46 0.33 112.91 113.83 1iou h THR 41 Ca -0.11 0.00 0.30 0.00 0.77 0.00 0.00 66.41 67.36 1iou h THR 41 Cb 0.85 0.02 -0.15 0.00 -1.74 0.00 0.00 68.15 67.13 1iou h THR 41 CO 0.18 0.00 0.40 0.15 0.37 0.00 0.00 175.52 176.62 1iou h PHE 42 N -1.00 0.62 -0.03 3.16 3.57 -1.46 1.50 116.94 123.31 1iou h PHE 42 Ca -0.06 0.05 -0.15 0.00 3.53 0.00 0.00 57.97 61.34 1iou h PHE 42 Cb 0.87 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 1iou h PHE 42 CO -0.25 -0.24 -0.66 0.35 -2.23 0.00 0.00 178.31 175.28 1iou h PHE 43 N 0.22 0.19 -0.06 0.41 3.57 -0.71 -2.39 116.94 118.17 1iou h PHE 43 Ca 0.67 -0.08 -0.23 0.00 3.53 0.00 0.00 57.97 61.86 1iou h PHE 43 Cb 1.49 -0.03 0.01 0.00 2.79 0.00 0.00 35.95 40.21 1iou h PHE 43 CO -0.14 0.76 -0.87 0.00 -2.23 0.00 0.00 178.31 175.82 1iou h ALA 44 N 1.22 0.34 -0.50 2.41 0.00 0.57 -2.57 119.26 120.74 1iou h ALA 44 Ca -0.01 -0.65 -0.12 0.00 0.00 0.00 0.00 54.91 54.13 1iou h ALA 44 Cb 1.17 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1iou h ALA 44 CO 0.10 0.73 -0.17 1.05 0.00 0.00 0.00 179.25 180.96 1iou h GLU 45 N 0.37 0.99 0.46 0.00 4.11 0.49 -2.71 114.58 118.30 1iou h GLU 45 Ca -0.07 -0.39 -0.02 0.00 0.07 0.00 0.00 59.36 58.94 1iou h GLU 45 Cb 1.50 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.70 1iou h GLU 45 CO 0.16 1.07 -0.22 1.15 0.07 0.00 0.00 179.01 181.24 1iou h THR 46 N 0.86 0.54 -0.25 -1.06 2.02 -1.43 -1.20 112.91 112.39 1iou h THR 46 Ca 0.12 -0.01 0.03 0.00 0.77 0.00 0.00 66.41 67.33 1iou h THR 46 Cb 0.73 0.55 -0.06 0.00 -1.74 0.00 0.00 68.15 67.63 1iou h THR 46 CO 0.06 0.00 -0.43 -0.37 0.37 0.00 0.00 175.52 175.15 1iou h VAL 47 N -0.63 0.00 -0.81 3.16 -1.51 -1.39 1.23 116.25 116.30 1iou h VAL 47 Ca -0.06 0.00 0.23 0.00 -1.23 0.00 0.00 66.70 65.64 1iou h VAL 47 Cb 0.48 0.00 -0.03 0.00 -2.13 0.00 0.00 31.29 29.61 1iou h VAL 47 CO 0.10 0.00 0.58 0.00 -1.23 0.00 0.00 177.57 177.03 1iou h ALA 48 N -0.40 2.76 -0.29 5.19 0.00 -1.46 1.48 119.26 126.54 1iou h ALA 48 Ca 0.05 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.75 1iou h ALA 48 Cb 0.48 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1iou h ALA 48 CO -0.43 -0.99 -0.53 1.03 0.00 0.00 0.00 179.25 178.33 1iou h SER 49 N 0.01 0.97 0.61 0.00 0.87 0.17 -2.94 113.55 113.23 1iou h SER 49 Ca 0.39 -0.53 -0.13 0.00 -1.23 0.00 0.00 61.79 60.28 1iou h SER 49 Cb 1.54 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 63.20 1iou h SER 49 CO -0.01 1.32 -0.62 0.03 -0.53 0.00 0.00 176.83 177.02 1iou h ARG 50 N 0.66 0.01 -6.43 2.24 3.08 0.91 -3.40 114.38 111.45 1iou h ARG 50 Ca 0.01 -0.01 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 1iou h ARG 50 Cb 1.15 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.11 1iou h ARG 50 CO 0.12 0.63 0.89 0.99 -1.07 0.00 0.00 179.97 181.53 1iou s THR 51 N -3.61 4.10 -0.18 2.04 2.01 0.42 -4.90 115.64 115.53 1iou s THR 51 Ca -0.01 0.79 -0.01 0.00 0.31 0.00 0.00 61.69 62.76 1iou s THR 51 Cb 0.13 -4.68 0.08 0.00 0.01 0.00 0.00 72.50 68.04 1iou s THR 51 CO 0.77 -1.28 2.19 0.61 -0.69 0.00 0.00 174.62 176.21 1iou n GLY 52 N 5.06 3.42 1.55 4.40 0.00 -1.26 -4.82 105.19 113.55 1iou n GLY 52 Ca 0.07 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 0.99 -1.93 -0.97 4.61 0.00 -1.26 -4.76 120.51 117.19 1iou n ALA 53 Ca 0.21 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.10 1iou n ALA 53 Cb 0.57 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.15 0.96 3.20 0.00 0.00 -1.04 -4.97 105.19 102.18 1iou n GLY 54 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1iou n GLY 54 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1iou s GLU 55 N -0.03 1.01 0.26 1.61 -1.05 -1.26 -4.96 118.70 114.27 1iou s GLU 55 Ca 0.00 -1.48 0.12 0.00 -0.15 0.00 0.00 54.97 53.46 1iou s GLU 55 Cb 0.00 -0.07 -0.05 0.00 -0.44 0.00 0.00 34.13 33.57 1iou s GLU 55 CO 0.00 -0.17 -0.21 -0.98 0.95 0.00 0.00 175.26 174.85 1iou s ARG 56 N -3.96 1.65 0.00 -4.83 1.70 -1.26 -1.95 118.95 110.30 1iou s ARG 56 Ca 0.23 -1.71 -0.02 0.00 -0.47 0.00 0.00 55.73 53.75 1iou s ARG 56 Cb 0.07 -1.79 -0.01 0.00 -0.57 0.00 0.00 34.95 32.65 1iou s ARG 56 CO 0.02 0.35 0.03 -0.65 -1.08 0.00 0.00 175.30 173.97 1iou s GLN 57 N -3.33 0.21 -0.29 3.89 -1.52 -0.57 -4.93 119.66 113.13 1iou s GLN 57 Ca 0.28 -0.26 -0.01 0.00 -1.95 0.00 0.00 55.36 53.42 1iou s GLN 57 Cb -0.06 0.08 0.09 0.00 -0.22 0.00 0.00 33.01 32.91 1iou s GLN 57 CO 0.14 -0.04 0.09 0.45 -0.25 0.00 0.00 175.29 175.68 1iou s SER 58 N -0.75 3.90 -0.60 5.90 0.15 -1.24 0.28 113.70 121.34 1iou s SER 58 Ca -0.08 -1.53 -0.26 0.00 0.70 0.00 0.00 55.95 54.78 1iou s SER 58 Cb -0.05 -0.84 0.04 0.00 -1.71 0.00 0.00 66.02 63.46 1iou s SER 58 CO -0.00 -0.40 1.07 0.27 1.20 0.00 0.00 173.24 175.38 1iou s ILE 59 N 1.64 4.18 -0.46 6.45 -4.36 0.11 -4.74 121.20 124.02 1iou s ILE 59 Ca 0.08 0.40 -0.20 0.00 -0.26 0.00 0.00 60.65 60.67 1iou s ILE 59 Cb -0.17 -4.67 0.03 0.00 1.25 0.00 0.00 42.46 38.90 1iou s ILE 59 CO -0.23 -1.33 0.63 -0.70 0.24 0.00 0.00 174.94 173.55 1iou s GLU 60 N 4.51 3.22 0.45 0.37 2.12 -1.26 -0.15 118.70 127.97 1iou s GLU 60 Ca 0.34 -0.53 0.07 0.00 0.36 0.00 0.00 54.97 55.20 1iou s GLU 60 Cb -0.11 -3.99 -0.02 0.00 0.26 0.00 0.00 34.13 30.27 1iou s GLU 60 CO 0.19 -1.07 0.26 -1.21 -0.54 0.00 0.00 175.26 172.90 1iou s GLU 61 N 2.76 2.30 0.00 4.30 0.41 0.64 -5.00 118.70 124.11 1iou s GLU 61 Ca 0.20 -1.85 0.11 0.00 -0.41 0.00 0.00 54.97 53.02 1iou s GLU 61 Cb -0.15 -2.07 0.54 0.00 -1.78 0.00 0.00 34.13 30.66 1iou s GLU 61 CO 0.17 -0.26 1.24 0.41 -0.49 0.00 0.00 175.26 176.33 1iou n GLY 62 N -1.42 -0.65 0.15 -1.39 0.00 -1.26 -3.14 105.19 97.47 1iou n GLY 62 Ca -0.01 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 1iou n GLY 62 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1iou n ASN 63 N -1.30 2.77 -2.08 1.61 0.23 -1.26 -5.12 115.26 110.11 1iou n ASN 63 Ca 0.05 -0.03 -0.02 0.00 -0.53 0.00 0.00 54.58 54.05 1iou n ASN 63 Cb 0.09 -0.21 0.01 0.00 -2.08 0.00 0.00 39.78 37.59 1iou n ASN 63 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1iou n TYR 64 N -2.94 -1.04 -4.16 -2.53 0.18 -1.19 -4.78 117.16 100.70 1iou n TYR 64 Ca -0.21 -0.65 -0.23 0.00 1.88 0.00 0.00 57.90 58.70 1iou n TYR 64 Cb 0.71 0.32 -0.05 0.00 -0.38 0.00 0.00 39.34 39.93 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 -2.36 4.18 -0.38 -3.48 1.01 0.45 -0.26 121.20 120.37 1iou s ILE 65 Ca 0.11 -1.50 0.01 0.00 0.00 0.00 0.00 60.65 59.26 1iou s ILE 65 Cb -0.01 -3.24 0.14 0.00 0.01 0.00 0.00 42.46 39.36 1iou s ILE 65 CO 0.03 -0.33 0.23 -0.83 0.00 0.00 0.00 174.94 174.04 1iou s GLY 66 N -3.70 1.10 0.83 6.18 0.00 0.79 0.11 107.32 112.62 1iou s GLY 66 Ca 0.32 -2.10 -0.11 0.00 0.00 0.00 0.00 44.72 42.84 1iou s GLY 66 CO 0.23 1.95 1.13 0.30 0.00 0.00 0.00 173.10 176.71 1iou s HIS 67 N 0.81 2.06 -0.17 1.90 3.76 0.53 -0.71 115.29 123.48 1iou s HIS 67 Ca 0.19 1.68 -0.17 0.00 -0.15 0.00 0.00 55.06 56.60 1iou s HIS 67 Cb -0.22 -3.24 0.05 0.00 1.11 0.00 0.00 32.58 30.28 1iou s HIS 67 CO -0.01 -2.37 0.48 0.08 -0.85 0.00 0.00 174.74 172.08 1iou s VAL 68 N -2.65 0.00 -0.22 -0.90 1.01 0.81 -1.05 120.40 117.41 1iou s VAL 68 Ca 0.66 -0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.58 1iou s VAL 68 Cb -0.21 -0.68 0.11 0.00 0.00 0.00 0.00 36.38 35.60 1iou s VAL 68 CO 0.55 -0.01 0.31 -0.31 0.00 0.00 0.00 175.10 175.64 1iou s TYR 69 N 0.14 -0.59 0.13 5.22 2.02 -0.88 -1.51 117.35 121.87 1iou s TYR 69 Ca -0.01 0.66 0.01 0.00 -0.37 0.00 0.00 57.07 57.36 1iou s TYR 69 Cb -0.03 -0.11 -0.04 0.00 -0.40 0.00 0.00 41.96 41.38 1iou s TYR 69 CO 0.01 -0.64 0.28 0.00 -1.57 0.00 0.00 175.55 173.63 1iou s ALA 70 N 2.46 3.96 0.53 3.71 0.00 -0.82 -2.32 121.76 129.28 1iou s ALA 70 Ca 0.09 -0.95 0.08 0.00 0.00 0.00 0.00 51.96 51.18 1iou s ALA 70 Cb -0.15 -1.83 0.08 0.00 0.00 0.00 0.00 23.12 21.22 1iou s ALA 70 CO -0.14 0.61 0.66 0.54 0.00 0.00 0.00 175.76 177.43 1iou n ARG 71 N -0.32 0.66 0.26 0.00 5.12 -1.26 -4.00 116.66 117.12 1iou n ARG 71 Ca -0.06 -2.98 0.11 0.00 -1.93 0.00 0.00 57.85 52.99 1iou n ARG 71 Cb 0.53 -0.09 0.71 0.00 -1.16 0.00 0.00 32.46 32.46 1iou n ARG 71 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 1iou h SER 72 N 0.22 0.00 -2.04 0.55 0.02 -1.95 -2.76 113.55 107.59 1iou h SER 72 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1iou h SER 72 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1iou h SER 72 CO 0.40 0.07 0.00 -0.62 -1.14 0.00 0.00 176.83 175.54 1iou n GLU 73 N -4.08 0.22 -0.09 3.45 4.71 -1.26 -4.84 120.64 118.75 1iou n GLU 73 Ca -0.03 0.00 0.11 0.00 -0.01 0.00 0.00 57.16 57.24 1iou n GLU 73 Cb 0.16 0.00 0.34 0.00 -1.01 0.00 0.00 31.44 30.93 1iou n GLU 73 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1iou n GLY 74 N 5.00 0.59 3.34 0.62 0.00 -1.26 -4.72 105.19 108.76 1iou n GLY 74 Ca 0.00 -0.50 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.76 3.88 0.32 -0.61 2.07 -1.26 -1.80 121.20 122.03 1iou s ILE 75 Ca 0.34 -0.66 0.10 0.00 -1.41 0.00 0.00 60.65 59.01 1iou s ILE 75 Cb 0.19 -2.97 -0.05 0.00 0.13 0.00 0.00 42.46 39.76 1iou s ILE 75 CO 0.28 0.13 -0.05 0.00 -1.91 0.00 0.00 174.94 173.39 1iou s GLY 77 N -3.65 1.67 0.02 0.00 0.00 -0.98 0.81 107.32 105.19 1iou s GLY 77 Ca 0.33 -1.51 0.07 0.00 0.00 0.00 0.00 44.72 43.61 1iou s GLY 77 CO 0.18 -1.51 -0.21 0.14 0.00 0.00 0.00 173.10 171.70 1iou s VAL 78 N -1.39 1.64 -0.20 1.40 1.01 -0.62 -2.08 120.40 120.16 1iou s VAL 78 Ca 0.19 -1.07 -0.03 0.00 0.00 0.00 0.00 61.98 61.07 1iou s VAL 78 Cb -0.09 -1.40 0.06 0.00 0.00 0.00 0.00 36.38 34.95 1iou s VAL 78 CO 0.09 0.30 0.05 -0.76 0.00 0.00 0.00 175.10 174.78 1iou s LEU 79 N -0.91 1.14 -0.27 3.92 1.02 -0.21 -0.69 118.68 122.68 1iou s LEU 79 Ca 0.08 -0.86 -0.10 0.00 0.02 0.00 0.00 54.13 53.26 1iou s LEU 79 Cb -0.08 -0.57 -0.05 0.00 0.02 0.00 0.00 46.19 45.51 1iou s LEU 79 CO 0.01 -0.32 0.17 0.27 0.02 0.00 0.00 176.35 176.49 1iou s ILE 80 N 1.88 5.19 0.11 -0.59 -4.36 0.76 0.20 121.20 124.39 1iou s ILE 80 Ca 0.00 0.13 0.02 0.00 -0.26 0.00 0.00 60.65 60.54 1iou s ILE 80 Cb -0.17 -3.46 -0.01 0.00 1.25 0.00 0.00 42.46 40.08 1iou s ILE 80 CO -0.10 0.28 0.08 1.07 0.24 0.00 0.00 174.94 176.51 1iou n THR 81 N 4.87 0.00 -2.11 8.37 5.66 0.12 -0.23 114.28 130.95 1iou n THR 81 Ca -0.14 -0.75 -0.27 0.00 -3.05 0.00 0.00 64.05 59.84 1iou n THR 81 Cb 0.52 0.35 0.07 0.00 -1.55 0.00 0.00 70.33 69.71 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 -1.73 4.88 0.64 1.09 2.15 -0.82 0.17 116.67 123.05 1iou s ASP 82 Ca 0.11 0.64 0.41 0.00 0.43 0.00 0.00 52.55 54.15 1iou s ASP 82 Cb 0.01 -1.31 2.25 0.00 -0.30 0.00 0.00 42.92 43.57 1iou s ASP 82 CO 0.08 -1.59 2.27 0.50 -0.17 0.00 0.00 175.17 176.25 1iou h LYS 83 N -0.68 0.00 -1.43 4.34 3.64 -1.87 -2.05 116.57 118.52 1iou h LYS 83 Ca -0.45 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 58.67 1iou h LYS 83 Cb 1.31 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 33.00 1iou h LYS 83 CO 0.62 0.00 0.34 1.04 -2.27 0.00 0.00 179.45 179.18 1iou n GLN 84 N -2.98 1.65 -3.62 1.90 6.02 -1.26 -4.59 117.38 114.50 1iou n GLN 84 Ca -0.03 -1.32 -0.28 0.00 -0.01 0.00 0.00 57.00 55.35 1iou n GLN 84 Cb 0.09 -1.52 -0.12 0.00 1.02 0.00 0.00 30.24 29.72 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 -1.52 1.87 0.71 1.08 5.04 -0.77 -4.88 117.35 118.88 1iou s TYR 85 Ca 0.26 -2.48 -0.17 0.00 -2.44 0.00 0.00 57.07 52.24 1iou s TYR 85 Cb 0.21 -1.63 -0.06 0.00 0.35 0.00 0.00 41.96 40.82 1iou s TYR 85 CO 0.01 -0.75 0.34 -0.35 -1.34 0.00 0.00 175.55 173.45 1iou n PRO 86 N 3.07 0.24 0.22 4.97 -0.04 -1.26 -4.84 135.00 137.35 1iou n PRO 86 Ca 0.18 0.11 0.08 0.00 -0.04 0.00 0.00 63.50 63.83 1iou n PRO 86 Cb 0.39 -1.65 0.50 0.00 -0.04 0.00 0.00 33.50 32.70 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 -0.36 0.86 0.67 0.52 2.07 -1.98 -3.05 116.25 114.98 1iou h VAL 87 Ca -0.45 -1.02 -0.03 0.00 0.82 0.00 0.00 66.70 66.03 1iou h VAL 87 Cb 1.36 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 1iou h VAL 87 CO 0.41 0.25 -0.42 0.03 0.02 0.00 0.00 177.57 177.87 1iou h ARG 88 N 0.00 -0.99 0.00 1.57 3.08 -2.00 1.00 114.38 117.05 1iou h ARG 88 Ca -0.00 0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.07 1iou h ARG 88 Cb 0.59 0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 1iou h ARG 88 CO 0.03 -0.66 -0.23 -1.00 -1.07 0.00 0.00 179.97 177.04 1iou h PRO 89 N -1.02 0.00 -0.12 0.04 0.13 -1.90 -1.16 132.00 127.96 1iou h PRO 89 Ca -0.08 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.96 1iou h PRO 89 Cb 0.83 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 1iou h PRO 89 CO 0.08 0.23 -0.29 0.00 -0.23 0.00 0.00 178.00 177.80 1iou h ALA 90 N 1.77 1.29 -0.21 -0.56 0.00 -1.36 0.44 119.26 120.62 1iou h ALA 90 Ca -0.00 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 1iou h ALA 90 Cb 0.52 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1iou h ALA 90 CO 0.03 0.49 -0.17 -0.92 0.00 0.00 0.00 179.25 178.68 1iou h TYR 91 N 0.21 0.58 -0.73 0.00 3.20 0.41 -1.04 116.97 119.60 1iou h TYR 91 Ca 0.03 -0.17 -0.04 0.00 3.14 0.00 0.00 58.73 61.69 1iou h TYR 91 Cb 0.62 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.73 1iou h TYR 91 CO 0.01 0.82 0.29 1.15 -1.64 0.00 0.00 178.16 178.79 1iou h THR 92 N 0.18 1.25 0.89 1.81 2.02 -0.81 0.23 112.91 118.47 1iou h THR 92 Ca 0.04 -0.78 -0.04 0.00 0.77 0.00 0.00 66.41 66.40 1iou h THR 92 Cb 0.70 0.37 0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1iou h THR 92 CO 0.04 0.32 -0.43 0.25 0.37 0.00 0.00 175.52 176.07 1iou h LEU 93 N 1.07 -1.01 0.00 2.58 6.46 0.02 -1.64 115.31 122.79 1iou h LEU 93 Ca 0.25 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 58.04 1iou h LEU 93 Cb 0.20 0.26 0.00 0.00 -0.73 0.00 0.00 40.66 40.39 1iou h LEU 93 CO -0.02 -0.67 0.00 -0.11 -0.62 0.00 0.00 178.44 177.02 1iou n LEU 94 N -5.57 0.00 0.02 2.25 -0.00 -0.41 -2.15 117.00 111.14 1iou n LEU 94 Ca -0.15 0.44 -0.07 0.00 -0.00 0.00 0.00 56.01 56.23 1iou n LEU 94 Cb 0.47 -0.44 -0.05 0.00 -0.00 0.00 0.00 43.42 43.41 1iou n LEU 94 CO 0.36 -0.28 0.20 -1.13 -0.00 0.00 0.00 177.39 176.55 1iou h ASN 95 N 0.00 -0.13 -0.72 1.96 -0.73 0.20 -2.63 115.58 113.52 1iou h ASN 95 Ca 0.00 -0.25 -0.06 0.00 1.87 0.00 0.00 56.30 57.87 1iou h ASN 95 Cb 0.16 0.03 -0.03 0.00 0.27 0.00 0.00 38.32 38.75 1iou h ASN 95 CO 0.00 0.45 0.22 0.11 -0.37 0.00 0.00 177.43 177.84 1iou h LYS 96 N -0.99 1.13 0.53 6.67 1.79 -1.18 -2.42 116.57 122.09 1iou h LYS 96 Ca -0.02 -0.24 -0.02 0.00 -2.18 0.00 0.00 60.65 58.18 1iou h LYS 96 Cb 0.37 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 1iou h LYS 96 CO 0.03 0.96 -0.27 0.97 -1.08 0.00 0.00 179.45 180.06 1iou h ILE 97 N 1.07 0.44 -0.39 1.86 2.10 -1.56 1.06 117.51 122.08 1iou h ILE 97 Ca 0.23 0.00 0.07 0.00 1.08 0.00 0.00 64.86 66.24 1iou h ILE 97 Cb 0.31 0.44 -0.06 0.00 -1.09 0.00 0.00 36.82 36.42 1iou h ILE 97 CO -0.01 0.00 0.04 -0.07 -1.08 0.00 0.00 178.15 177.03 1iou h LEU 98 N -0.74 -0.08 -1.62 2.19 3.38 -1.44 1.79 115.31 118.79 1iou h LEU 98 Ca -0.07 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1iou h LEU 98 Cb 0.58 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1iou h LEU 98 CO 0.11 -0.00 -0.21 -0.78 0.09 0.00 0.00 178.44 177.64 1iou h ASP 99 N 0.15 0.00 1.07 -0.43 1.82 -1.28 -0.87 116.42 116.88 1iou h ASP 99 Ca 0.19 0.00 -0.14 0.00 -0.39 0.00 0.00 57.03 56.69 1iou h ASP 99 Cb 0.25 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.24 1iou h ASP 99 CO -0.29 0.21 -0.69 -0.08 -1.61 0.00 0.00 179.24 176.79 1iou h GLU 100 N 0.00 0.00 -0.06 0.28 4.57 0.53 -2.96 114.58 116.93 1iou h GLU 100 Ca -0.00 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.05 1iou h GLU 100 Cb 0.44 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 1iou h GLU 100 CO 0.03 0.69 -0.52 -0.92 -1.18 0.00 0.00 179.01 177.11 1iou h TYR 101 N 0.00 0.21 -0.10 0.92 5.03 0.39 -2.93 116.97 120.49 1iou h TYR 101 Ca -0.01 -0.07 -0.15 0.00 2.58 0.00 0.00 58.73 61.08 1iou h TYR 101 Cb 1.41 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 39.63 1iou h TYR 101 CO 0.00 0.66 -0.58 -0.07 -1.32 0.00 0.00 178.16 176.85 1iou h LEU 102 N 0.14 0.36 -0.16 2.82 3.38 -1.29 -3.22 115.31 117.34 1iou h LEU 102 Ca 0.00 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1iou h LEU 102 Cb 0.96 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1iou h LEU 102 CO 0.08 0.86 0.08 0.58 0.09 0.00 0.00 178.44 180.13 1iou h VAL 103 N 0.24 1.12 0.00 1.22 2.07 -1.36 -1.89 116.25 117.65 1iou h VAL 103 Ca -0.00 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1iou h VAL 103 Cb 1.09 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1iou h VAL 103 CO 0.10 0.11 0.62 0.00 0.02 0.00 0.00 177.57 178.42 1iou h ALA 104 N 0.95 1.61 -1.21 1.67 0.00 -1.55 -3.39 119.26 117.34 1iou h ALA 104 Ca 0.05 0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.14 1iou h ALA 104 Cb 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 17.59 1iou h ALA 104 CO -0.01 -0.61 0.62 -3.38 0.00 0.00 0.00 179.25 175.88 1iou s HIS 105 N -3.96 -0.24 0.19 0.00 0.00 -0.72 -5.11 115.29 105.45 1iou s HIS 105 Ca -0.02 0.47 -0.08 0.00 -3.00 0.00 0.00 55.06 52.43 1iou s HIS 105 Cb 0.04 0.14 -0.07 0.00 -4.00 0.00 0.00 32.58 28.70 1iou s HIS 105 CO 0.14 -0.12 -0.01 -2.30 -1.00 0.00 0.00 174.74 171.46 1iou n PRO 106 N 3.32 0.00 -0.25 -0.38 -0.02 -1.20 -4.48 135.00 131.98 1iou n PRO 106 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1iou n PRO 106 Cb 0.57 -0.43 0.07 0.00 -0.02 0.00 0.00 33.50 33.69 1iou n PRO 106 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1iou h LYS 107 N 0.07 -0.02 0.00 -0.52 3.64 -1.97 0.48 116.57 118.25 1iou h LYS 107 Ca -0.17 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.08 1iou h LYS 107 Cb 0.62 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.42 1iou h LYS 107 CO 0.19 -0.01 -0.66 1.49 -2.27 0.00 0.00 179.45 178.19 1iou h GLU 108 N -0.02 0.00 -0.59 1.90 4.81 -1.96 -3.15 114.58 115.56 1iou h GLU 108 Ca 0.33 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.69 1iou h GLU 108 Cb 0.54 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.81 1iou h GLU 108 CO -0.74 0.66 -0.10 1.49 -0.73 0.00 0.00 179.01 179.58 1iou h GLU 109 N 0.00 0.03 0.01 1.92 4.81 -1.17 -2.61 114.58 117.57 1iou h GLU 109 Ca -0.01 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1iou h GLU 109 Cb 1.41 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.78 1iou h GLU 109 CO 0.09 0.02 -0.01 0.11 -0.73 0.00 0.00 179.01 178.49 1iou h TRP 110 N 0.03 -0.02 -6.24 0.92 5.08 -1.62 -3.46 115.95 110.65 1iou h TRP 110 Ca 0.29 -0.00 -0.45 0.00 1.08 0.00 0.00 58.89 59.81 1iou h TRP 110 Cb 0.46 0.01 -0.22 0.00 -3.00 0.00 0.00 29.16 26.40 1iou h TRP 110 CO -0.45 0.75 -0.67 0.00 -1.28 0.00 0.00 178.44 176.79 1iou n ALA 111 N -2.54 -1.26 0.00 0.11 0.00 -0.99 0.19 120.51 116.02 1iou n ALA 111 Ca -0.09 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1iou n ALA 111 Cb 0.38 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.74 0.00 0.00 0.00 8.00 -1.26 -4.89 116.55 116.65 1iou n ASP 112 Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.44 1iou n ASP 112 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.50 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 -0.99 2.53 0.31 0.50 -4.56 118.33 116.12 1iou n VAL 113 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 1iou n VAL 113 Cb 0.00 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 1iou n VAL 113 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1iou n THR 114 N 0.00 0.00 -3.07 2.52 -2.24 -1.26 -4.80 114.28 105.43 1iou n THR 114 Ca 0.00 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.80 1iou n THR 114 Cb 0.00 -1.03 -0.00 0.00 -2.10 0.00 0.00 70.33 67.20 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 -2.06 0.56 0.26 -0.78 -1.05 -1.26 -5.03 118.70 109.34 1iou s GLU 115 Ca 0.00 -0.10 0.02 0.00 -0.15 0.00 0.00 54.97 54.74 1iou s GLU 115 Cb 0.00 0.09 -0.04 0.00 -0.44 0.00 0.00 34.13 33.74 1iou s GLU 115 CO 0.00 -0.85 0.16 0.99 0.95 0.00 0.00 175.26 176.51 1iou s THR 116 N 2.05 0.14 -0.31 1.83 2.01 -1.26 -5.08 115.64 115.02 1iou s THR 116 Ca 0.16 -2.00 0.01 0.00 0.31 0.00 0.00 61.69 60.17 1iou s THR 116 Cb -0.02 -2.52 0.19 0.00 0.01 0.00 0.00 72.50 70.16 1iou s THR 116 CO -0.12 0.00 0.73 0.54 -0.69 0.00 0.00 174.62 175.08 1iou s ASN 117 N -3.27 -1.25 0.63 3.53 2.20 -1.24 -4.66 114.94 110.88 1iou s ASN 117 Ca 0.38 0.02 0.21 0.00 -0.94 0.00 0.00 52.86 52.53 1iou s ASN 117 Cb 0.06 1.75 1.02 0.00 -2.00 0.00 0.00 41.25 42.08 1iou s ASN 117 CO 0.16 -0.21 1.54 -0.78 -2.94 0.00 0.00 177.10 174.87 1iou h ASP 118 N 7.55 0.00 -0.06 3.54 1.82 -1.73 0.23 116.42 127.78 1iou h ASP 118 Ca -0.02 0.00 0.02 0.00 -0.39 0.00 0.00 57.03 56.63 1iou h ASP 118 Cb 1.19 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.20 1iou h ASP 118 CO 0.07 0.00 0.22 0.00 -1.61 0.00 0.00 179.24 177.92 1iou h ALA 119 N 0.84 1.37 0.00 -0.78 0.00 -1.94 -1.73 119.26 117.02 1iou h ALA 119 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1iou h ALA 119 Cb 1.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1iou h ALA 119 CO -0.00 -0.25 0.00 -0.11 0.00 0.00 0.00 179.25 178.89 1iou n LEU 120 N -3.15 0.62 -3.97 0.00 7.94 0.81 -5.09 117.00 114.15 1iou n LEU 120 Ca -0.01 -0.70 -0.09 0.00 -1.11 0.00 0.00 56.01 54.10 1iou n LEU 120 Cb 0.30 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.20 1iou n LEU 120 CO 0.19 0.15 0.24 -0.54 -1.11 0.00 0.00 177.39 176.32 1iou s LYS 121 N -0.16 1.67 -1.25 1.96 1.02 -0.65 -4.95 119.74 117.39 1iou s LYS 121 Ca 0.00 -1.28 -0.06 0.00 0.02 0.00 0.00 55.97 54.65 1iou s LYS 121 Cb 0.00 0.50 0.01 0.00 -0.52 0.00 0.00 37.83 37.82 1iou s LYS 121 CO 0.00 -0.72 0.76 -0.12 -0.92 0.00 0.00 175.35 174.35 1iou n MET 122 N -0.42 -5.46 -0.10 1.68 1.56 -1.26 -4.19 117.12 108.92 1iou n MET 122 Ca -0.02 0.74 0.27 0.00 -0.27 0.00 0.00 57.70 58.42 1iou n MET 122 Cb 0.61 -5.37 0.71 0.00 2.15 0.00 0.00 33.22 31.32 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 -1.73 0.00 0.79 2.12 1.79 -1.92 -0.66 116.57 116.95 1iou h LYS 123 Ca -0.47 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 57.96 1iou h LYS 123 Cb 1.31 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.97 1iou h LYS 123 CO 0.48 0.00 -0.39 1.96 -1.08 0.00 0.00 179.45 180.42 1iou h GLN 124 N 0.00 -1.03 -1.17 3.15 7.50 -1.98 -0.36 115.11 121.21 1iou h GLN 124 Ca 0.37 0.07 0.36 0.00 0.50 0.00 0.00 58.65 59.95 1iou h GLN 124 Cb 1.65 0.23 -0.12 0.00 0.05 0.00 0.00 27.48 29.29 1iou h GLN 124 CO -0.00 -0.69 0.74 1.25 -1.50 0.00 0.00 178.83 178.63 1iou h LEU 125 N -1.07 0.35 -0.03 1.46 6.46 -1.50 0.61 115.31 121.59 1iou h LEU 125 Ca -0.11 0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 57.78 1iou h LEU 125 Cb 0.83 0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.85 1iou h LEU 125 CO 0.17 -0.10 -0.02 0.44 -0.62 0.00 0.00 178.44 178.31 1iou h ASP 126 N 0.21 0.06 0.41 1.25 3.32 -1.18 -2.50 116.42 118.00 1iou h ASP 126 Ca 0.74 -0.44 -0.06 0.00 0.02 0.00 0.00 57.03 57.28 1iou h ASP 126 Cb 2.09 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 41.62 1iou h ASP 126 CO -0.42 0.49 -0.29 0.74 -1.72 0.00 0.00 179.24 178.04 1iou h THR 127 N -0.37 1.04 0.35 0.35 2.02 0.15 -1.62 112.91 114.82 1iou h THR 127 Ca 0.01 -1.06 -0.02 0.00 0.77 0.00 0.00 66.41 66.11 1iou h THR 127 Cb 0.47 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 1iou h THR 127 CO 0.00 0.29 -0.17 1.88 0.37 0.00 0.00 175.52 177.89 1iou h TYR 128 N 0.00 -0.43 0.00 3.16 -1.99 0.05 -2.53 116.97 115.22 1iou h TYR 128 Ca -0.00 -0.01 -0.04 0.00 2.00 0.00 0.00 58.73 60.68 1iou h TYR 128 Cb 0.58 0.14 -0.01 0.00 2.00 0.00 0.00 36.73 39.45 1iou h TYR 128 CO 0.00 -0.11 -0.17 0.97 -0.00 0.00 0.00 178.16 178.85 1iou h ILE 129 N -0.81 0.96 0.73 -2.88 -0.00 -1.40 0.17 117.51 114.28 1iou h ILE 129 Ca -0.05 -0.63 -0.04 0.00 -0.00 0.00 0.00 64.86 64.15 1iou h ILE 129 Cb 0.52 1.35 0.01 0.00 -0.00 0.00 0.00 36.82 38.70 1iou h ILE 129 CO 0.08 0.17 -0.35 0.77 -0.00 0.00 0.00 178.15 178.82 1iou h SER 130 N 0.00 -0.83 1.20 2.19 4.64 -1.20 -3.11 113.55 116.44 1iou h SER 130 Ca -0.00 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1iou h SER 130 Cb 0.34 0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1iou h SER 130 CO 0.02 -0.48 -0.15 0.07 -0.87 0.00 0.00 176.83 175.42 1iou h LYS 131 N -1.18 0.00 0.00 4.77 -0.00 -1.41 -2.92 116.57 115.83 1iou h LYS 131 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.55 1iou h LYS 131 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.00 1iou h LYS 131 CO 0.16 0.15 0.00 0.66 -0.00 0.00 0.00 179.45 180.43 1iou n TYR 132 N -3.24 0.66 -0.69 0.07 4.02 0.04 -3.85 117.16 114.17 1iou n TYR 132 Ca 0.01 0.31 -0.17 0.00 -0.01 0.00 0.00 57.90 58.04 1iou n TYR 132 Cb 0.44 -1.00 -0.04 0.00 -0.02 0.00 0.00 39.34 38.73 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 -2.15 1.81 -3.61 -0.72 1.13 -1.11 -4.45 117.38 108.29 1iou n GLN 133 Ca 0.00 -1.19 -0.04 0.00 -1.94 0.00 0.00 57.00 53.83 1iou n GLN 133 Cb 0.10 -2.25 -0.02 0.00 0.11 0.00 0.00 30.24 28.18 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 3.11 -0.20 0.21 1.08 1.01 -1.25 -4.92 116.67 115.71 1iou s ASP 134 Ca 0.39 -0.12 -0.07 0.00 0.71 0.00 0.00 52.55 53.45 1iou s ASP 134 Cb 0.13 0.30 0.16 0.00 1.01 0.00 0.00 42.92 44.51 1iou s ASP 134 CO -0.02 -0.52 1.72 1.55 0.21 0.00 0.00 175.17 178.11 1iou h PRO 135 N 2.00 1.08 -0.09 8.23 0.13 -1.91 -2.88 132.00 138.57 1iou h PRO 135 Ca -0.21 -0.27 -0.13 0.00 -0.87 0.00 0.00 66.00 64.53 1iou h PRO 135 Cb 1.21 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1iou h PRO 135 CO 0.27 0.97 -0.51 0.77 -0.23 0.00 0.00 178.00 179.28 1iou h SER 136 N 1.02 0.25 -2.39 1.44 0.02 -1.92 -3.47 113.55 108.50 1iou h SER 136 Ca 0.21 -0.12 -0.30 0.00 -0.84 0.00 0.00 61.79 60.74 1iou h SER 136 Cb 0.40 -0.07 -0.07 0.00 0.14 0.00 0.00 62.40 62.80 1iou h SER 136 CO 0.01 0.71 -0.32 0.00 -1.14 0.00 0.00 176.83 176.09 1iou n GLN 137 N -3.95 -1.68 -3.19 3.45 6.02 -1.09 -2.54 117.38 114.41 1iou n GLN 137 Ca -0.02 0.79 -0.05 0.00 -0.01 0.00 0.00 57.00 57.71 1iou n GLN 137 Cb 0.55 -5.23 0.01 0.00 1.02 0.00 0.00 30.24 26.58 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 -0.67 -2.54 -3.39 -1.58 0.00 -1.26 -3.73 120.51 107.35 1iou n ALA 138 Ca -0.16 -0.03 -0.19 0.00 0.00 0.00 0.00 53.44 53.07 1iou n ALA 138 Cb 0.55 -1.94 0.07 0.00 0.00 0.00 0.00 19.45 18.13 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 -2.05 -5.39 0.00 0.00 -0.08 -1.08 -5.10 116.55 102.85 1iou n ASP 139 Ca -0.05 -0.76 0.00 0.00 -1.51 0.00 0.00 54.79 52.47 1iou n ASP 139 Cb 0.54 -4.78 0.00 0.00 2.34 0.00 0.00 41.12 39.22 1iou n ASP 139 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32