#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 0.00 -2.00 3.17 1.74 -1.26 -4.49 116.66 113.82 1iou n ARG 2 Ca 0.00 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.71 1iou n ARG 2 Cb 0.00 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.46 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 0.00 2.56 -0.04 0.55 2.07 -1.26 -2.65 121.20 122.42 1iou s ILE 3 Ca 0.00 0.39 0.00 0.00 -1.41 0.00 0.00 60.65 59.63 1iou s ILE 3 Cb 0.00 -3.19 -0.03 0.00 0.13 0.00 0.00 42.46 39.38 1iou s ILE 3 CO 0.00 -0.03 -0.04 -1.22 -1.91 0.00 0.00 174.94 171.74 1iou n TYR 4 N -1.06 0.00 -3.77 3.50 4.01 -1.12 -4.80 117.16 113.92 1iou n TYR 4 Ca 0.11 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.73 1iou n TYR 4 Cb 0.47 -0.16 -0.08 0.00 -0.31 0.00 0.00 39.34 39.26 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 -2.08 -0.09 0.16 -0.72 6.14 -0.11 0.15 117.35 120.80 1iou s TYR 5 Ca -0.06 -0.01 -0.08 0.00 0.64 0.00 0.00 57.07 57.57 1iou s TYR 5 Cb 0.02 0.07 -0.01 0.00 0.42 0.00 0.00 41.96 42.45 1iou s TYR 5 CO 0.09 -0.46 0.26 0.42 0.64 0.00 0.00 175.55 176.51 1iou s ILE 6 N -2.24 0.07 -5.00 3.14 1.01 -0.10 -0.12 121.20 117.95 1iou s ILE 6 Ca -0.07 -1.46 0.00 0.00 0.00 0.00 0.00 60.65 59.12 1iou s ILE 6 Cb -0.02 -1.89 0.00 0.00 0.01 0.00 0.00 42.46 40.56 1iou s ILE 6 CO -0.02 -0.30 0.00 0.61 0.00 0.00 0.00 174.94 175.23 1iou n GLY 7 N -0.21 -0.84 3.12 6.18 0.00 -0.53 -1.06 105.19 111.85 1iou n GLY 7 Ca -0.07 -1.16 -0.12 0.00 0.00 0.00 0.00 46.02 44.67 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 0.07 -0.30 1.61 1.01 0.44 -1.47 120.40 118.76 1iou s VAL 8 Ca 0.00 -0.60 -0.10 0.00 0.00 0.00 0.00 61.98 61.27 1iou s VAL 8 Cb 0.00 -0.44 0.13 0.00 0.00 0.00 0.00 36.38 36.07 1iou s VAL 8 CO 0.00 -0.33 0.66 -0.36 0.00 0.00 0.00 175.10 175.07 1iou s PHE 9 N -1.24 -1.31 0.08 5.22 0.40 -0.29 0.14 117.98 120.98 1iou s PHE 9 Ca -0.13 2.29 -0.22 0.00 -0.60 0.00 0.00 56.93 58.27 1iou s PHE 9 Cb -0.07 0.79 -0.07 0.00 0.51 0.00 0.00 43.02 44.18 1iou s PHE 9 CO 0.02 -0.65 0.65 0.50 0.70 0.00 0.00 175.22 176.44 1iou s ARG 10 N 2.81 4.36 -0.45 0.44 3.00 -1.22 -3.70 118.95 124.19 1iou s ARG 10 Ca -0.06 0.89 -0.27 0.00 -1.00 0.00 0.00 55.73 55.29 1iou s ARG 10 Cb -0.11 -3.27 -0.04 0.00 0.00 0.00 0.00 34.95 31.52 1iou s ARG 10 CO -0.19 0.54 2.09 -1.54 0.00 0.00 0.00 175.30 176.21 1iou s SER 11 N -0.87 5.13 -1.09 -2.12 1.04 -1.25 -0.96 113.70 113.59 1iou s SER 11 Ca 0.32 1.03 -0.04 0.00 0.48 0.00 0.00 55.95 57.74 1iou s SER 11 Cb -0.20 -2.52 0.30 0.00 0.10 0.00 0.00 66.02 63.70 1iou s SER 11 CO 0.21 -2.35 1.55 0.61 0.98 0.00 0.00 173.24 174.23 1iou n GLY 12 N 5.76 5.25 5.48 7.32 0.00 0.30 -4.90 105.19 124.40 1iou n GLY 12 Ca 0.28 -2.63 0.00 0.00 0.00 0.00 0.00 46.02 43.67 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 1.27 0.22 0.37 -0.02 0.00 -1.26 -2.55 105.19 103.22 1iou n GLY 13 Ca 0.29 0.65 0.08 0.00 0.00 0.00 0.00 46.02 47.03 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 0.92 0.00 1.61 3.07 -1.97 -3.47 114.58 114.74 1iou h GLU 14 Ca 0.00 -0.06 0.19 0.00 -0.50 0.00 0.00 59.36 58.99 1iou h GLU 14 Cb 0.00 -0.21 -0.04 0.00 -0.84 0.00 0.00 28.75 27.67 1iou h GLU 14 CO 0.00 0.61 0.49 0.36 -1.40 0.00 0.00 179.01 179.07 1iou n LYS 15 N -4.58 0.08 -1.59 2.33 0.00 -1.06 -5.03 118.16 108.31 1iou n LYS 15 Ca 0.18 -0.39 -0.35 0.00 -0.00 0.00 0.00 58.31 57.75 1iou n LYS 15 Cb 0.35 0.66 0.08 0.00 -0.00 0.00 0.00 35.03 36.12 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 -1.54 2.24 -0.47 0.58 0.00 -1.25 0.11 121.76 121.44 1iou s ALA 16 Ca 0.16 0.94 0.16 0.00 0.00 0.00 0.00 51.96 53.22 1iou s ALA 16 Cb -0.00 -3.47 0.65 0.00 0.00 0.00 0.00 23.12 20.30 1iou s ALA 16 CO -0.00 -1.69 1.57 1.47 0.00 0.00 0.00 175.76 177.10 1iou n LEU 17 N -2.39 4.64 -3.08 0.00 -0.00 -0.13 -4.67 117.00 111.36 1iou n LEU 17 Ca 0.14 -2.78 -0.00 0.00 -0.00 0.00 0.00 56.01 53.37 1iou n LEU 17 Cb 0.50 -0.57 -0.00 0.00 -0.00 0.00 0.00 43.42 43.34 1iou n LEU 17 CO 0.47 0.70 -0.39 -0.62 -0.00 0.00 0.00 177.39 177.55 1iou n GLU 18 N 0.32 -1.09 0.00 1.47 1.02 -1.26 -4.50 120.64 116.61 1iou n GLU 18 Ca 0.24 1.24 0.00 0.00 -0.02 0.00 0.00 57.16 58.62 1iou n GLU 18 Cb 0.96 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 30.74 1iou n GLU 18 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1iou n LEU 19 N 1.54 1.30 -4.26 -4.62 4.77 0.37 -4.38 117.00 111.73 1iou n LEU 19 Ca -0.02 0.34 -0.26 0.00 -0.03 0.00 0.00 56.01 56.04 1iou n LEU 19 Cb 0.33 -0.20 -0.14 0.00 -2.33 0.00 0.00 43.42 41.08 1iou n LEU 19 CO 0.07 -0.20 -0.53 -0.94 -1.33 0.00 0.00 177.39 174.47 1iou s SER 20 N -1.85 2.55 -0.20 -1.43 1.04 -0.52 -1.21 113.70 112.08 1iou s SER 20 Ca 0.00 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.93 1iou s SER 20 Cb 0.00 -0.23 0.05 0.00 0.10 0.00 0.00 66.02 65.94 1iou s SER 20 CO 0.00 0.19 -0.07 -0.70 0.98 0.00 0.00 173.24 173.65 1iou s GLU 21 N -1.04 1.67 -0.05 4.02 2.12 -0.78 -0.42 118.70 124.22 1iou s GLU 21 Ca 0.08 -0.78 0.05 0.00 0.36 0.00 0.00 54.97 54.68 1iou s GLU 21 Cb -0.09 -2.34 -0.00 0.00 0.26 0.00 0.00 34.13 31.96 1iou s GLU 21 CO 0.01 -0.49 -0.20 0.54 -0.54 0.00 0.00 175.26 174.58 1iou s VAL 22 N 1.48 1.65 0.37 3.70 0.11 -0.22 -4.79 120.40 122.70 1iou s VAL 22 Ca -0.02 -0.83 0.07 0.00 -2.93 0.00 0.00 61.98 58.26 1iou s VAL 22 Cb -0.17 -1.41 -0.07 0.00 -1.53 0.00 0.00 36.38 33.20 1iou s VAL 22 CO -0.07 0.47 -0.01 -0.54 -3.33 0.00 0.00 175.10 171.62 1iou s LYS 23 N 0.01 1.84 -0.22 1.54 3.01 -1.26 -0.93 119.74 123.73 1iou s LYS 23 Ca -0.05 -2.01 -0.04 0.00 -1.01 0.00 0.00 55.97 52.86 1iou s LYS 23 Cb -0.13 -1.46 0.10 0.00 -1.01 0.00 0.00 37.83 35.33 1iou s LYS 23 CO 0.03 -0.04 0.21 0.34 0.51 0.00 0.00 175.35 176.40 1iou s ASP 24 N -3.63 1.79 -0.84 2.83 2.15 0.40 -4.91 116.67 114.46 1iou s ASP 24 Ca 0.34 -0.47 0.01 0.00 0.43 0.00 0.00 52.55 52.86 1iou s ASP 24 Cb 0.08 0.24 0.24 0.00 -0.30 0.00 0.00 42.92 43.18 1iou s ASP 24 CO 0.17 -0.35 0.86 0.18 -0.17 0.00 0.00 175.17 175.85 1iou n LEU 25 N 5.30 4.33 0.00 -1.34 7.99 -1.26 -4.59 117.00 127.44 1iou n LEU 25 Ca -0.05 -5.24 0.00 0.00 -0.01 0.00 0.00 56.01 50.71 1iou n LEU 25 Cb 0.48 -0.98 0.00 0.00 -0.11 0.00 0.00 43.42 42.81 1iou n LEU 25 CO 0.07 1.73 0.20 -1.20 -1.51 0.00 0.00 177.39 176.68 1iou n SER 26 N 1.73 0.00 0.15 -1.43 7.64 -1.26 -4.05 113.62 116.40 1iou n SER 26 Ca 0.24 0.40 0.13 0.00 1.01 0.00 0.00 58.87 60.65 1iou n SER 26 Cb 0.37 0.00 0.37 0.00 -1.01 0.00 0.00 64.21 63.94 1iou n SER 26 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1iou h GLN 27 N 0.00 0.00 -6.12 1.43 4.20 -2.01 -3.43 115.11 109.19 1iou h GLN 27 Ca 0.00 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.19 1iou h GLN 27 Cb 0.00 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 1iou h GLN 27 CO 0.00 0.00 1.28 -0.06 -0.67 0.00 0.00 178.83 179.38 1iou s PHE 28 N -3.19 1.84 0.02 2.96 0.40 -1.26 -4.98 117.98 113.77 1iou s PHE 28 Ca 0.08 0.64 -0.00 0.00 -0.60 0.00 0.00 56.93 57.05 1iou s PHE 28 Cb 0.10 -4.19 0.01 0.00 0.51 0.00 0.00 43.02 39.44 1iou s PHE 28 CO 0.59 -2.31 0.01 0.41 0.70 0.00 0.00 175.22 174.62 1iou n GLY 29 N 5.57 -2.66 0.10 4.36 0.00 -1.26 -3.80 105.19 107.49 1iou n GLY 29 Ca 0.18 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.74 0.23 -0.34 1.61 -5.15 -1.96 1.29 116.94 110.89 1iou h PHE 30 Ca -0.01 -0.01 -0.06 0.00 -0.20 0.00 0.00 57.97 57.70 1iou h PHE 30 Cb 0.02 -0.07 -0.01 0.00 0.22 0.00 0.00 35.95 36.10 1iou h PHE 30 CO 0.00 0.24 -0.01 0.27 -2.00 0.00 0.00 178.31 176.81 1iou h PHE 31 N 0.16 0.66 -0.06 6.09 -0.00 -2.01 -2.87 116.94 118.91 1iou h PHE 31 Ca 0.06 -0.12 -0.12 0.00 -0.00 0.00 0.00 57.97 57.79 1iou h PHE 31 Cb 0.09 -0.17 -0.01 0.00 -0.00 0.00 0.00 35.95 35.85 1iou h PHE 31 CO -0.04 0.72 -0.50 1.49 -0.00 0.00 0.00 178.31 179.99 1iou h GLU 32 N 0.41 0.15 -0.50 6.09 4.81 -1.82 -2.84 114.58 120.88 1iou h GLU 32 Ca 0.09 -0.08 0.05 0.00 -0.13 0.00 0.00 59.36 59.29 1iou h GLU 32 Cb 0.46 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 1iou h GLU 32 CO 0.02 0.62 0.34 -0.09 -0.73 0.00 0.00 179.01 179.16 1iou h ARG 33 N 0.12 0.49 0.03 1.92 2.43 0.19 0.50 114.38 120.05 1iou h ARG 33 Ca 0.00 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1iou h ARG 33 Cb 0.92 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 1iou h ARG 33 CO 0.07 0.33 -0.01 1.03 -1.51 0.00 0.00 179.97 179.88 1iou h SER 34 N 0.51 -0.03 0.52 -3.80 0.87 -1.33 -1.20 113.55 109.08 1iou h SER 34 Ca 0.21 -0.68 -0.03 0.00 -1.23 0.00 0.00 61.79 60.07 1iou h SER 34 Cb 0.20 0.01 0.01 0.00 -0.44 0.00 0.00 62.40 62.17 1iou h SER 34 CO -0.06 0.70 -0.25 0.77 -0.53 0.00 0.00 176.83 177.46 1iou h SER 35 N -0.79 -0.59 -0.77 6.23 4.64 -1.32 -2.48 113.55 118.48 1iou h SER 35 Ca -0.00 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 1iou h SER 35 Cb 0.70 0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 62.91 1iou h SER 35 CO 0.01 -0.29 0.45 0.58 -0.87 0.00 0.00 176.83 176.71 1iou h VAL 36 N -0.89 1.22 -0.40 0.95 2.07 -0.17 -1.75 116.25 117.29 1iou h VAL 36 Ca -0.07 -0.50 0.08 0.00 0.82 0.00 0.00 66.70 67.03 1iou h VAL 36 Cb 0.60 0.17 -0.08 0.00 -1.52 0.00 0.00 31.29 30.46 1iou h VAL 36 CO 0.12 0.23 -0.13 1.23 0.02 0.00 0.00 177.57 179.04 1iou h GLY 37 N 1.05 0.23 1.75 2.17 0.00 -1.19 0.65 103.07 107.73 1iou h GLY 37 Ca 0.27 0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.74 1iou h GLY 37 CO -0.05 -0.17 -0.01 -1.61 0.00 0.00 0.00 176.54 174.70 1iou h GLN 38 N -0.04 0.32 -0.50 4.80 5.75 -1.15 -1.64 115.11 122.65 1iou h GLN 38 Ca 0.19 -0.05 -0.11 0.00 -0.15 0.00 0.00 58.65 58.53 1iou h GLN 38 Cb 0.33 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.81 1iou h GLN 38 CO -0.43 0.36 -0.12 0.35 -2.65 0.00 0.00 178.83 176.34 1iou h PHE 39 N 0.31 1.05 0.94 3.99 3.57 0.38 -0.45 116.94 126.73 1iou h PHE 39 Ca 0.07 -0.21 -0.05 0.00 3.53 0.00 0.00 57.97 61.31 1iou h PHE 39 Cb 0.23 -0.26 0.01 0.00 2.79 0.00 0.00 35.95 38.72 1iou h PHE 39 CO 0.00 0.99 -0.45 0.52 -2.23 0.00 0.00 178.31 177.15 1iou h MET 40 N 0.84 -1.22 0.90 1.11 2.86 0.10 -2.40 114.93 117.12 1iou h MET 40 Ca 0.13 0.08 -0.04 0.00 -2.06 0.00 0.00 59.70 57.81 1iou h MET 40 Cb 0.66 0.28 0.01 0.00 0.06 0.00 0.00 31.60 32.61 1iou h MET 40 CO 0.05 -0.81 -0.43 1.15 1.06 0.00 0.00 176.91 177.93 1iou h THR 41 N -1.31 0.05 -0.93 2.22 2.02 -1.46 -0.73 112.91 112.78 1iou h THR 41 Ca -0.13 -0.08 0.24 0.00 0.77 0.00 0.00 66.41 67.21 1iou h THR 41 Cb 0.97 0.06 -0.17 0.00 -1.74 0.00 0.00 68.15 67.27 1iou h THR 41 CO 0.21 0.00 -0.04 0.33 0.37 0.00 0.00 175.52 176.39 1iou n PHE 42 N -5.58 0.53 -0.10 3.16 -0.00 -0.18 0.25 117.46 115.54 1iou n PHE 42 Ca -0.15 1.12 -0.09 0.00 -0.00 0.00 0.00 57.45 58.33 1iou n PHE 42 Cb 0.48 -1.16 0.06 0.00 -0.00 0.00 0.00 39.48 38.86 1iou n PHE 42 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.76 177.11 1iou h PHE 43 N 0.00 0.94 0.16 -5.13 3.57 -1.30 -2.43 116.94 112.75 1iou h PHE 43 Ca 0.53 -0.22 -0.01 0.00 3.53 0.00 0.00 57.97 61.80 1iou h PHE 43 Cb 1.04 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.56 1iou h PHE 43 CO -0.53 0.98 -0.08 0.00 -2.23 0.00 0.00 178.31 176.45 1iou h ALA 44 N 1.01 -0.21 -0.99 2.41 0.00 0.50 -1.86 119.26 120.12 1iou h ALA 44 Ca 0.09 -0.16 0.15 0.00 0.00 0.00 0.00 54.91 54.99 1iou h ALA 44 Cb 0.78 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.56 1iou h ALA 44 CO 0.06 -0.48 0.62 1.05 0.00 0.00 0.00 179.25 180.51 1iou h GLU 45 N -0.50 0.84 0.60 0.00 4.11 0.69 -1.70 114.58 118.62 1iou h GLU 45 Ca -0.02 -0.05 -0.03 0.00 0.07 0.00 0.00 59.36 59.33 1iou h GLU 45 Cb 0.39 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.45 1iou h GLU 45 CO 0.04 0.56 -0.29 1.15 0.07 0.00 0.00 179.01 180.53 1iou h THR 46 N 0.87 0.40 -0.17 -1.06 2.02 -1.24 -1.35 112.91 112.37 1iou h THR 46 Ca 0.52 -0.02 0.03 0.00 0.77 0.00 0.00 66.41 67.70 1iou h THR 46 Cb 0.67 0.41 -0.05 0.00 -1.74 0.00 0.00 68.15 67.44 1iou h THR 46 CO -0.29 0.00 -0.42 -0.37 0.37 0.00 0.00 175.52 174.81 1iou h VAL 47 N -0.83 0.00 -0.85 3.16 -1.51 -0.47 0.95 116.25 116.70 1iou h VAL 47 Ca -0.08 0.00 0.25 0.00 -1.23 0.00 0.00 66.70 65.63 1iou h VAL 47 Cb 0.63 0.00 -0.03 0.00 -2.13 0.00 0.00 31.29 29.75 1iou h VAL 47 CO 0.14 0.00 0.61 0.00 -1.23 0.00 0.00 177.57 177.09 1iou h ALA 48 N -0.49 2.80 -0.13 5.19 0.00 -1.45 1.50 119.26 126.68 1iou h ALA 48 Ca 0.03 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1iou h ALA 48 Cb 0.51 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1iou h ALA 48 CO -0.38 -1.04 -0.09 0.66 0.00 0.00 0.00 179.25 178.40 1iou h SER 49 N 0.01 0.31 0.81 0.00 4.64 0.14 -3.01 113.55 116.44 1iou h SER 49 Ca 0.41 -0.45 -0.09 0.00 -0.47 0.00 0.00 61.79 61.19 1iou h SER 49 Cb 1.62 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.61 1iou h SER 49 CO -0.01 0.69 -0.41 0.08 -0.87 0.00 0.00 176.83 176.32 1iou h ARG 50 N -0.07 0.00 -6.46 4.77 0.11 0.55 -3.41 114.38 109.87 1iou h ARG 50 Ca 0.03 0.00 -0.55 0.00 0.10 0.00 0.00 59.98 59.55 1iou h ARG 50 Cb 0.59 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.61 1iou h ARG 50 CO 0.03 0.41 1.09 0.99 0.10 0.00 0.00 179.97 182.58 1iou s THR 51 N -3.62 3.83 -0.04 0.08 2.01 0.46 -4.88 115.64 113.50 1iou s THR 51 Ca -0.00 0.77 -0.00 0.00 0.31 0.00 0.00 61.69 62.77 1iou s THR 51 Cb 0.11 -4.33 0.03 0.00 0.01 0.00 0.00 72.50 68.32 1iou s THR 51 CO 0.70 -0.99 1.90 0.61 -0.69 0.00 0.00 174.62 176.15 1iou n GLY 52 N 5.19 2.63 1.72 4.40 0.00 -1.26 -4.69 105.19 113.19 1iou n GLY 52 Ca 0.14 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 1.26 -2.00 -0.81 4.61 0.00 -1.26 -4.72 120.51 117.59 1iou n ALA 53 Ca 0.03 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1iou n ALA 53 Cb 0.51 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1iou n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iou n GLY 54 N -0.51 1.21 3.26 0.00 0.00 -0.25 -4.92 105.19 103.98 1iou n GLY 54 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.06 1.08 0.20 1.61 0.41 -1.26 -4.90 118.70 115.77 1iou s GLU 55 Ca 0.00 -1.31 0.07 0.00 -0.41 0.00 0.00 54.97 53.32 1iou s GLU 55 Cb 0.00 -0.93 -0.04 0.00 -1.78 0.00 0.00 34.13 31.38 1iou s GLU 55 CO 0.00 0.17 0.10 1.03 -0.49 0.00 0.00 175.26 176.07 1iou s ARG 56 N -2.89 2.72 -0.00 1.61 0.52 -1.26 -2.72 118.95 116.93 1iou s ARG 56 Ca 0.12 -1.03 -0.01 0.00 -0.52 0.00 0.00 55.73 54.29 1iou s ARG 56 Cb -0.04 -2.50 -0.00 0.00 0.52 0.00 0.00 34.95 32.93 1iou s ARG 56 CO 0.03 0.44 0.01 -0.65 0.02 0.00 0.00 175.30 175.16 1iou s GLN 57 N -3.30 0.05 -0.28 3.54 -1.52 -0.79 -4.92 119.66 112.44 1iou s GLN 57 Ca 0.31 -0.04 -0.01 0.00 -1.95 0.00 0.00 55.36 53.67 1iou s GLN 57 Cb -0.09 0.02 0.09 0.00 -0.22 0.00 0.00 33.01 32.81 1iou s GLN 57 CO 0.22 -0.01 0.07 -1.54 -0.25 0.00 0.00 175.29 173.78 1iou s SER 58 N -0.15 3.89 -0.56 5.90 1.04 -1.25 0.25 113.70 122.82 1iou s SER 58 Ca -0.02 -1.49 -0.23 0.00 0.48 0.00 0.00 55.95 54.70 1iou s SER 58 Cb -0.01 -0.92 0.05 0.00 0.10 0.00 0.00 66.02 65.24 1iou s SER 58 CO -0.00 -0.37 0.86 0.27 0.98 0.00 0.00 173.24 174.98 1iou s ILE 59 N 1.57 4.51 -0.48 -1.02 -4.36 -0.93 -4.79 121.20 115.70 1iou s ILE 59 Ca 0.06 -0.04 -0.24 0.00 -0.26 0.00 0.00 60.65 60.17 1iou s ILE 59 Cb -0.18 -4.50 0.03 0.00 1.25 0.00 0.00 42.46 39.07 1iou s ILE 59 CO -0.19 -1.09 0.90 -0.70 0.24 0.00 0.00 174.94 174.10 1iou s GLU 60 N 3.61 3.44 0.59 0.37 2.12 -1.26 -0.28 118.70 127.28 1iou s GLU 60 Ca 0.25 -0.02 0.02 0.00 0.36 0.00 0.00 54.97 55.58 1iou s GLU 60 Cb -0.15 -3.96 0.06 0.00 0.26 0.00 0.00 34.13 30.34 1iou s GLU 60 CO 0.16 -1.27 0.81 -2.00 -0.54 0.00 0.00 175.26 172.42 1iou s GLU 61 N 3.69 2.31 0.56 4.30 -6.30 0.31 -4.93 118.70 118.65 1iou s GLU 61 Ca 0.33 -1.00 0.44 0.00 -2.50 0.00 0.00 54.97 52.24 1iou s GLU 61 Cb -0.11 -2.49 1.62 0.00 0.00 0.00 0.00 34.13 33.15 1iou s GLU 61 CO 0.24 -0.88 1.63 0.78 0.02 0.00 0.00 175.26 177.04 1iou h GLY 62 N -0.02 0.00 -1.86 -1.50 0.00 -2.04 -2.92 103.07 94.72 1iou h GLY 62 Ca -0.39 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.83 1iou h GLY 62 CO 0.47 0.00 -0.25 -2.01 0.00 0.00 0.00 176.54 174.75 1iou n ASN 63 N -3.95 -0.86 -4.13 0.19 5.15 -1.26 -5.14 115.26 105.25 1iou n ASN 63 Ca 0.37 -1.81 -0.11 0.00 -0.60 0.00 0.00 54.58 52.42 1iou n ASN 63 Cb 1.73 0.26 -0.08 0.00 -0.53 0.00 0.00 39.78 41.15 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 0.00 0.88 0.02 1.20 1.51 -1.11 -4.60 117.35 115.26 1iou s TYR 64 Ca 0.00 -1.15 0.01 0.00 -1.01 0.00 0.00 57.07 54.91 1iou s TYR 64 Cb 0.00 -0.31 -0.01 0.00 -0.11 0.00 0.00 41.96 41.53 1iou s TYR 64 CO 0.00 -0.75 -0.04 0.42 -1.11 0.00 0.00 175.55 174.07 1iou s ILE 65 N -4.11 0.25 -0.56 2.71 1.01 0.52 0.11 121.20 121.13 1iou s ILE 65 Ca 0.33 -0.64 0.06 0.00 0.00 0.00 0.00 60.65 60.39 1iou s ILE 65 Cb 0.04 -0.31 0.21 0.00 0.01 0.00 0.00 42.46 42.41 1iou s ILE 65 CO 0.11 -0.26 0.53 0.61 0.00 0.00 0.00 174.94 175.93 1iou n GLY 66 N 2.11 3.57 3.55 6.18 0.00 0.61 0.10 105.19 121.31 1iou n GLY 66 Ca -0.19 -2.15 -0.32 0.00 0.00 0.00 0.00 46.02 43.36 1iou n GLY 66 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1iou n HIS 67 N 1.77 -0.26 -3.71 1.61 8.25 0.48 -2.20 115.22 121.16 1iou n HIS 67 Ca 0.25 0.32 -0.12 0.00 -0.26 0.00 0.00 57.72 57.91 1iou n HIS 67 Cb 0.43 -1.90 -0.10 0.00 1.12 0.00 0.00 29.99 29.54 1iou n HIS 67 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1iou s VAL 68 N -2.50 -0.01 -0.16 1.59 1.01 0.68 -0.58 120.40 120.44 1iou s VAL 68 Ca 0.62 0.03 -0.04 0.00 0.00 0.00 0.00 61.98 62.59 1iou s VAL 68 Cb -0.22 -0.63 0.06 0.00 0.00 0.00 0.00 36.38 35.58 1iou s VAL 68 CO 0.62 0.01 0.07 -0.31 0.00 0.00 0.00 175.10 175.49 1iou s TYR 69 N 0.62 0.43 0.15 5.22 1.51 -0.96 -1.89 117.35 122.43 1iou s TYR 69 Ca -0.03 -0.39 0.05 0.00 -1.01 0.00 0.00 57.07 55.69 1iou s TYR 69 Cb -0.05 -0.77 -0.04 0.00 -0.11 0.00 0.00 41.96 41.00 1iou s TYR 69 CO -0.04 -0.50 0.10 0.00 -1.11 0.00 0.00 175.55 174.01 1iou s ALA 70 N 2.06 3.50 0.48 3.71 0.00 -1.10 -2.41 121.76 128.00 1iou s ALA 70 Ca 0.02 -1.21 0.05 0.00 0.00 0.00 0.00 51.96 50.82 1iou s ALA 70 Cb -0.16 -1.31 0.05 0.00 0.00 0.00 0.00 23.12 21.71 1iou s ALA 70 CO -0.08 0.54 0.41 -2.13 0.00 0.00 0.00 175.76 174.50 1iou n ARG 71 N -0.16 0.76 -0.88 0.00 0.63 -1.26 -3.96 116.66 111.80 1iou n ARG 71 Ca -0.09 -2.97 -0.17 0.00 -0.92 0.00 0.00 57.85 53.70 1iou n ARG 71 Cb 0.54 0.25 0.12 0.00 0.45 0.00 0.00 32.46 33.82 1iou n ARG 71 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1iou n SER 72 N -1.93 3.70 -0.05 6.15 3.41 -1.26 -1.09 113.62 122.54 1iou n SER 72 Ca 0.00 -3.15 -0.06 0.00 -0.26 0.00 0.00 58.87 55.40 1iou n SER 72 Cb 0.54 -0.75 -0.07 0.00 -0.26 0.00 0.00 64.21 63.66 1iou n SER 72 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1iou n GLU 73 N -0.65 1.80 0.00 4.33 -0.58 -1.26 -5.03 120.64 119.25 1iou n GLU 73 Ca 0.43 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 57.18 1iou n GLU 73 Cb 1.30 -1.26 0.00 0.00 -0.57 0.00 0.00 31.44 30.91 1iou n GLU 73 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1iou n GLY 74 N 2.51 1.51 3.43 0.62 0.00 -1.26 -4.81 105.19 107.20 1iou n GLY 74 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.04 3.75 0.35 -0.61 2.07 -1.26 -3.92 121.20 120.55 1iou s ILE 75 Ca 0.00 -0.39 0.09 0.00 -1.41 0.00 0.00 60.65 58.94 1iou s ILE 75 Cb 0.00 -2.67 -0.07 0.00 0.13 0.00 0.00 42.46 39.85 1iou s ILE 75 CO 0.00 0.45 -0.07 0.00 -1.91 0.00 0.00 174.94 173.41 1iou s GLY 77 N -3.62 1.77 0.08 0.00 0.00 -1.01 -1.14 107.32 103.39 1iou s GLY 77 Ca 0.33 -1.84 0.09 0.00 0.00 0.00 0.00 44.72 43.30 1iou s GLY 77 CO 0.17 -1.89 -0.24 0.14 0.00 0.00 0.00 173.10 171.28 1iou s VAL 78 N -2.76 2.37 -0.30 1.40 1.01 -0.54 -2.27 120.40 119.31 1iou s VAL 78 Ca 0.28 -1.48 -0.02 0.00 0.00 0.00 0.00 61.98 60.76 1iou s VAL 78 Cb -0.01 -2.00 0.10 0.00 0.00 0.00 0.00 36.38 34.47 1iou s VAL 78 CO 0.12 0.25 0.10 -0.22 0.00 0.00 0.00 175.10 175.35 1iou s LEU 79 N -1.63 1.77 -0.21 3.92 0.20 0.26 -1.46 118.68 121.53 1iou s LEU 79 Ca 0.14 -1.51 -0.10 0.00 0.69 0.00 0.00 54.13 53.35 1iou s LEU 79 Cb -0.10 -0.72 -0.05 0.00 -0.43 0.00 0.00 46.19 44.88 1iou s LEU 79 CO 0.05 -0.42 0.14 0.27 -0.29 0.00 0.00 176.35 176.10 1iou s ILE 80 N 1.75 5.40 0.24 6.68 -4.36 0.82 0.18 121.20 131.91 1iou s ILE 80 Ca 0.09 0.19 -0.06 0.00 -0.26 0.00 0.00 60.65 60.61 1iou s ILE 80 Cb -0.17 -3.48 0.02 0.00 1.25 0.00 0.00 42.46 40.09 1iou s ILE 80 CO -0.27 0.42 0.43 1.07 0.24 0.00 0.00 174.94 176.82 1iou n THR 81 N 3.69 0.00 -1.17 8.37 5.66 0.28 -0.93 114.28 130.19 1iou n THR 81 Ca -0.16 -0.83 -0.29 0.00 -3.05 0.00 0.00 64.05 59.72 1iou n THR 81 Cb 0.52 0.66 0.18 0.00 -1.55 0.00 0.00 70.33 70.14 1iou n THR 81 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1iou s ASP 82 N -2.34 2.56 0.45 1.09 2.15 -1.09 0.20 116.67 119.68 1iou s ASP 82 Ca 0.14 1.17 0.31 0.00 0.43 0.00 0.00 52.55 54.60 1iou s ASP 82 Cb -0.02 -1.84 1.42 0.00 -0.30 0.00 0.00 42.92 42.18 1iou s ASP 82 CO 0.10 -3.17 1.92 0.07 -0.17 0.00 0.00 175.17 173.92 1iou h LYS 83 N -1.92 0.00 -1.00 4.34 2.10 -1.83 -2.43 116.57 115.83 1iou h LYS 83 Ca -0.55 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 57.78 1iou h LYS 83 Cb 1.33 0.00 -0.19 0.00 -0.90 0.00 0.00 32.23 32.47 1iou h LYS 83 CO 0.58 0.00 0.41 1.04 -2.00 0.00 0.00 179.45 179.47 1iou n GLN 84 N -2.70 1.77 -3.39 0.07 1.13 -1.26 -4.50 117.38 108.50 1iou n GLN 84 Ca 0.00 -1.86 -0.27 0.00 -1.94 0.00 0.00 57.00 52.94 1iou n GLN 84 Cb 0.20 -1.73 -0.08 0.00 0.11 0.00 0.00 30.24 28.74 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 -0.52 3.16 -0.91 1.08 4.19 -0.91 -4.46 117.16 118.79 1iou n TYR 85 Ca 0.37 -4.08 -0.33 0.00 3.31 0.00 0.00 57.90 57.17 1iou n TYR 85 Cb 1.23 -0.53 0.03 0.00 0.49 0.00 0.00 39.34 40.56 1iou n TYR 85 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 1iou n PRO 86 N 0.92 0.00 0.18 2.98 -0.02 -1.26 -4.72 135.00 133.07 1iou n PRO 86 Ca 0.29 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.81 1iou n PRO 86 Cb 0.42 -0.90 0.27 0.00 -0.02 0.00 0.00 33.50 33.28 1iou n PRO 86 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1iou h VAL 87 N -0.85 0.92 0.33 -1.45 2.07 -1.97 -2.98 116.25 112.33 1iou h VAL 87 Ca -0.39 -1.70 -0.00 0.00 0.82 0.00 0.00 66.70 65.42 1iou h VAL 87 Cb 1.18 2.04 -0.02 0.00 -1.52 0.00 0.00 31.29 32.96 1iou h VAL 87 CO 0.22 0.41 -0.32 0.03 0.02 0.00 0.00 177.57 177.93 1iou h ARG 88 N 0.00 -0.66 -0.26 1.57 3.08 -1.98 1.40 114.38 117.54 1iou h ARG 88 Ca -0.00 0.04 -0.13 0.00 0.07 0.00 0.00 59.98 59.96 1iou h ARG 88 Cb 1.00 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 1iou h ARG 88 CO 0.05 -0.44 -0.39 -1.00 -1.07 0.00 0.00 179.97 177.12 1iou h PRO 89 N -0.68 0.60 0.00 0.04 0.13 -1.92 -1.06 132.00 129.11 1iou h PRO 89 Ca -0.02 -0.30 -0.05 0.00 -0.87 0.00 0.00 66.00 64.76 1iou h PRO 89 Cb 0.62 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.74 1iou h PRO 89 CO -0.05 0.89 -0.22 0.00 -0.23 0.00 0.00 178.00 178.39 1iou h ALA 90 N 1.07 1.33 -0.14 -0.56 0.00 -1.33 0.35 119.26 119.98 1iou h ALA 90 Ca 0.04 -0.20 -0.21 0.00 0.00 0.00 0.00 54.91 54.55 1iou h ALA 90 Cb 0.90 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1iou h ALA 90 CO 0.08 0.28 -0.74 -0.92 0.00 0.00 0.00 179.25 177.94 1iou h TYR 91 N 0.00 0.92 -0.48 0.00 3.20 0.26 0.52 116.97 121.39 1iou h TYR 91 Ca -0.00 -0.40 -0.08 0.00 3.14 0.00 0.00 58.73 61.39 1iou h TYR 91 Cb 0.49 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 1iou h TYR 91 CO 0.00 1.21 -0.01 1.15 -1.64 0.00 0.00 178.16 178.86 1iou h THR 92 N 0.47 1.26 -0.22 1.81 2.02 0.09 0.41 112.91 118.76 1iou h THR 92 Ca -0.04 -1.09 -0.06 0.00 0.77 0.00 0.00 66.41 65.99 1iou h THR 92 Cb 1.35 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.76 1iou h THR 92 CO 0.15 0.38 -0.09 0.25 0.37 0.00 0.00 175.52 176.57 1iou h LEU 93 N 0.72 0.46 -0.52 2.58 6.46 -0.28 -1.95 115.31 122.79 1iou h LEU 93 Ca 0.14 -0.40 0.00 0.00 -0.12 0.00 0.00 57.88 57.49 1iou h LEU 93 Cb 0.53 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.33 1iou h LEU 93 CO 0.03 0.76 0.00 0.18 -0.62 0.00 0.00 178.44 178.79 1iou n LEU 94 N -4.54 0.44 -0.01 2.25 4.77 0.18 -1.69 117.00 118.40 1iou n LEU 94 Ca -0.04 0.62 -0.07 0.00 -0.03 0.00 0.00 56.01 56.49 1iou n LEU 94 Cb 0.32 -0.57 -0.05 0.00 -2.33 0.00 0.00 43.42 40.79 1iou n LEU 94 CO 0.39 -0.49 0.20 -1.13 -1.33 0.00 0.00 177.39 175.03 1iou h ASN 95 N 0.00 -0.08 -0.83 -1.43 -1.24 0.56 -2.77 115.58 109.79 1iou h ASN 95 Ca 0.00 -0.33 -0.04 0.00 0.71 0.00 0.00 56.30 56.65 1iou h ASN 95 Cb 0.29 0.02 -0.04 0.00 0.73 0.00 0.00 38.32 39.33 1iou h ASN 95 CO 0.00 0.55 0.38 0.11 -1.29 0.00 0.00 177.43 177.18 1iou h LYS 96 N -0.98 1.21 0.91 6.67 6.56 -1.28 -1.01 116.57 128.64 1iou h LYS 96 Ca -0.01 -0.19 -0.04 0.00 -1.06 0.00 0.00 60.65 59.35 1iou h LYS 96 Cb 0.41 -0.21 0.01 0.00 -0.57 0.00 0.00 32.23 31.86 1iou h LYS 96 CO 0.02 0.94 -0.44 0.97 -2.06 0.00 0.00 179.45 178.88 1iou h ILE 97 N 1.19 0.11 -0.65 1.86 2.10 -1.45 1.50 117.51 122.17 1iou h ILE 97 Ca 0.28 -0.00 0.03 0.00 1.08 0.00 0.00 64.86 66.26 1iou h ILE 97 Cb 0.15 0.11 -0.04 0.00 -1.09 0.00 0.00 36.82 35.94 1iou h ILE 97 CO -0.03 0.00 0.40 -0.07 -1.08 0.00 0.00 178.15 177.36 1iou h LEU 98 N -1.22 0.64 -1.53 2.19 3.38 -1.47 1.24 115.31 118.54 1iou h LEU 98 Ca -0.12 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 1iou h LEU 98 Cb 0.93 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1iou h LEU 98 CO 0.20 0.44 -0.24 -0.78 0.09 0.00 0.00 178.44 178.15 1iou h ASP 99 N 0.77 0.00 0.88 -0.43 1.82 -1.06 -1.23 116.42 117.17 1iou h ASP 99 Ca 0.27 0.00 -0.20 0.00 -0.39 0.00 0.00 57.03 56.71 1iou h ASP 99 Cb 0.05 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.04 1iou h ASP 99 CO -0.12 0.24 -0.94 -0.08 -1.61 0.00 0.00 179.24 176.74 1iou h GLU 100 N 0.00 0.03 -0.13 0.28 4.57 0.49 -2.58 114.58 117.25 1iou h GLU 100 Ca -0.00 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 58.07 1iou h GLU 100 Cb 0.50 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 1iou h GLU 100 CO 0.03 0.94 -0.18 -0.92 -1.18 0.00 0.00 179.01 177.70 1iou h TYR 101 N 0.01 0.24 0.01 0.92 5.03 0.26 -0.16 116.97 123.28 1iou h TYR 101 Ca -0.02 -0.03 -0.20 0.00 2.58 0.00 0.00 58.73 61.06 1iou h TYR 101 Cb 1.64 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 39.84 1iou h TYR 101 CO 0.01 0.40 -0.90 -0.07 -1.32 0.00 0.00 178.16 176.28 1iou h LEU 102 N 0.21 0.17 0.06 2.82 3.38 -1.30 -3.34 115.31 117.30 1iou h LEU 102 Ca 0.04 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1iou h LEU 102 Cb 0.45 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1iou h LEU 102 CO 0.03 0.98 -0.03 0.58 0.09 0.00 0.00 178.44 180.09 1iou h VAL 103 N 0.06 1.24 -0.28 1.22 2.07 -0.98 -3.15 116.25 116.44 1iou h VAL 103 Ca -0.04 -1.51 0.08 0.00 0.82 0.00 0.00 66.70 66.05 1iou h VAL 103 Cb 1.56 2.16 -0.01 0.00 -1.52 0.00 0.00 31.29 33.48 1iou h VAL 103 CO 0.13 0.35 0.82 0.00 0.02 0.00 0.00 177.57 178.89 1iou h ALA 104 N -0.03 2.07 -1.39 1.67 0.00 -1.18 -3.38 119.26 117.02 1iou h ALA 104 Ca -0.01 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.03 1iou h ALA 104 Cb 0.64 0.02 -0.29 0.00 0.00 0.00 0.00 17.79 18.16 1iou h ALA 104 CO 0.01 -0.96 0.51 -3.38 0.00 0.00 0.00 179.25 175.43 1iou s HIS 105 N -4.19 -0.40 0.46 0.00 0.00 -1.20 -5.12 115.29 104.83 1iou s HIS 105 Ca -0.02 0.82 -0.11 0.00 -3.00 0.00 0.00 55.06 52.76 1iou s HIS 105 Cb 0.07 0.27 -0.09 0.00 -4.00 0.00 0.00 32.58 28.83 1iou s HIS 105 CO 0.24 -0.20 -0.29 -2.30 -1.00 0.00 0.00 174.74 171.19 1iou n PRO 106 N 3.33 0.00 -0.00 -0.38 -0.02 -1.19 -4.42 135.00 132.32 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 -0.61 -0.08 0.00 -0.02 0.00 0.00 33.50 33.36 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 -0.31 -0.45 0.00 -0.52 1.57 -1.93 -2.00 116.57 112.94 1iou h LYS 107 Ca -0.26 0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.52 1iou h LYS 107 Cb 0.84 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.25 1iou h LYS 107 CO 0.20 -0.30 -0.15 0.93 -0.57 0.00 0.00 179.45 179.56 1iou h GLU 108 N -0.46 0.00 -0.86 3.15 3.07 -1.96 -2.85 114.58 114.67 1iou h GLU 108 Ca 0.02 0.00 0.22 0.00 -0.50 0.00 0.00 59.36 59.10 1iou h GLU 108 Cb 0.54 0.00 -0.15 0.00 -0.84 0.00 0.00 28.75 28.29 1iou h GLU 108 CO -0.34 0.15 0.05 1.49 -1.40 0.00 0.00 179.01 178.96 1iou h GLU 109 N 0.00 0.09 0.00 2.33 4.81 -1.65 -2.94 114.58 117.22 1iou h GLU 109 Ca -0.00 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 1iou h GLU 109 Cb 0.34 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1iou h GLU 109 CO 0.02 0.06 -0.69 0.11 -0.73 0.00 0.00 179.01 177.77 1iou h TRP 110 N 0.09 0.00 -7.00 0.92 5.08 -1.61 -3.46 115.95 109.96 1iou h TRP 110 Ca 0.50 0.00 -0.60 0.00 1.08 0.00 0.00 58.89 59.87 1iou h TRP 110 Cb 0.96 0.00 -0.18 0.00 -3.00 0.00 0.00 29.16 26.94 1iou h TRP 110 CO -0.43 0.42 -0.96 0.00 -1.28 0.00 0.00 178.44 176.19 1iou n ALA 111 N -3.54 -2.05 0.00 0.11 0.00 -1.08 0.19 120.51 114.14 1iou n ALA 111 Ca -0.14 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1iou n ALA 111 Cb 0.37 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 -2.85 0.00 0.00 0.00 8.00 -1.26 -4.84 116.55 115.60 1iou n ASP 112 Ca -0.31 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.19 1iou n ASP 112 Cb 0.69 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.79 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 -0.40 0.00 -0.11 2.53 0.31 0.51 -4.57 118.33 116.60 1iou n VAL 113 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1iou n VAL 113 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1iou n VAL 113 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1iou n THR 114 N 0.00 0.00 -3.17 2.52 -2.24 -1.26 -4.86 114.28 105.27 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 -0.02 -0.01 0.00 -2.10 0.00 0.00 70.33 68.20 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 -0.03 0.54 0.36 -0.78 -1.05 -1.26 -5.03 118.70 111.45 1iou s GLU 115 Ca 0.00 0.67 0.05 0.00 -0.15 0.00 0.00 54.97 55.54 1iou s GLU 115 Cb 0.00 0.27 -0.07 0.00 -0.44 0.00 0.00 34.13 33.89 1iou s GLU 115 CO 0.00 -0.89 0.04 0.99 0.95 0.00 0.00 175.26 176.35 1iou s THR 116 N 2.80 1.53 -0.58 1.83 2.01 -1.26 -5.10 115.64 116.87 1iou s THR 116 Ca 0.14 -2.00 0.04 0.00 0.31 0.00 0.00 61.69 60.18 1iou s THR 116 Cb -0.12 -2.87 0.14 0.00 0.01 0.00 0.00 72.50 69.66 1iou s THR 116 CO -0.24 0.00 0.34 0.21 -0.69 0.00 0.00 174.62 174.24 1iou s ASN 117 N -3.59 4.43 0.38 3.53 2.47 -1.24 -4.94 114.94 115.97 1iou s ASN 117 Ca 0.35 -3.29 0.14 0.00 0.42 0.00 0.00 52.86 50.49 1iou s ASN 117 Cb 0.09 -1.60 0.76 0.00 -1.45 0.00 0.00 41.25 39.05 1iou s ASN 117 CO 0.16 -0.18 1.33 0.44 -3.72 0.00 0.00 177.10 175.13 1iou h ASP 118 N 6.12 0.00 -0.45 -4.21 5.19 -1.36 -0.86 116.42 120.85 1iou h ASP 118 Ca 0.00 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.37 1iou h ASP 118 Cb 0.85 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.34 1iou h ASP 118 CO 0.69 0.00 0.12 0.00 -3.12 0.00 0.00 179.24 176.93 1iou h ALA 119 N 1.09 0.59 -0.29 3.45 0.00 -1.87 -2.07 119.26 120.16 1iou h ALA 119 Ca 0.00 -0.19 -0.25 0.00 0.00 0.00 0.00 54.91 54.47 1iou h ALA 119 Cb 0.71 -0.17 -0.23 0.00 0.00 0.00 0.00 17.79 18.10 1iou h ALA 119 CO 0.00 0.26 -0.61 1.28 0.00 0.00 0.00 179.25 180.18 1iou n LEU 120 N -4.53 -0.73 0.18 0.00 4.32 -0.45 -4.93 117.00 110.88 1iou n LEU 120 Ca 0.00 -3.45 0.12 0.00 -0.02 0.00 0.00 56.01 52.66 1iou n LEU 120 Cb 0.20 0.17 0.13 0.00 -1.62 0.00 0.00 43.42 42.30 1iou n LEU 120 CO 0.39 1.72 0.59 0.50 -1.22 0.00 0.00 177.39 179.36 1iou h LYS 121 N 2.15 0.00 -0.76 3.23 1.63 -1.44 -3.42 116.57 117.96 1iou h LYS 121 Ca -0.25 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.41 1iou h LYS 121 Cb 1.27 0.00 -0.16 0.00 -0.60 0.00 0.00 32.23 32.74 1iou h LYS 121 CO 0.08 0.00 -0.44 -1.33 -3.45 0.00 0.00 179.45 174.31 1iou n MET 122 N -2.96 0.51 0.21 1.90 2.81 -1.26 -4.97 117.12 113.36 1iou n MET 122 Ca 0.03 -1.83 0.18 0.00 -1.81 0.00 0.00 57.70 54.27 1iou n MET 122 Cb 0.53 -1.26 0.84 0.00 -0.71 0.00 0.00 33.22 32.63 1iou n MET 122 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1iou h LYS 123 N 4.74 0.00 0.00 0.03 1.63 -1.95 -2.67 116.57 118.35 1iou h LYS 123 Ca 0.02 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1iou h LYS 123 Cb 1.11 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.74 1iou h LYS 123 CO 0.03 0.00 0.00 1.04 -3.45 0.00 0.00 179.45 177.07 1iou n GLN 124 N -3.59 0.00 -0.33 1.90 3.00 -1.26 -1.36 117.38 115.74 1iou n GLN 124 Ca 0.02 0.37 0.24 0.00 -0.01 0.00 0.00 57.00 57.61 1iou n GLN 124 Cb 0.38 -1.32 0.52 0.00 0.00 0.00 0.00 30.24 29.82 1iou n GLN 124 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.06 178.43 1iou h LEU 125 N 0.00 0.43 -0.65 1.08 8.10 -1.90 0.40 115.31 122.76 1iou h LEU 125 Ca 0.00 0.09 0.03 0.00 0.11 0.00 0.00 57.88 58.10 1iou h LEU 125 Cb 0.00 0.02 -0.04 0.00 -0.44 0.00 0.00 40.66 40.20 1iou h LEU 125 CO 0.00 0.07 0.41 0.44 -4.11 0.00 0.00 178.44 175.25 1iou h ASP 126 N 0.37 0.68 0.48 0.17 3.32 -1.34 -0.75 116.42 119.34 1iou h ASP 126 Ca 0.61 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.59 1iou h ASP 126 Cb 1.57 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.96 1iou h ASP 126 CO -0.30 0.47 -0.32 0.74 -1.72 0.00 0.00 179.24 178.11 1iou h THR 127 N 0.81 1.04 0.50 0.35 2.02 0.10 -2.15 112.91 115.57 1iou h THR 127 Ca 0.26 -1.19 -0.02 0.00 0.77 0.00 0.00 66.41 66.23 1iou h THR 127 Cb 0.00 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1iou h THR 127 CO -0.10 0.32 -0.24 1.88 0.37 0.00 0.00 175.52 177.75 1iou h TYR 128 N 0.00 -0.62 -0.56 3.16 0.05 -0.25 -1.14 116.97 117.60 1iou h TYR 128 Ca -0.00 -0.01 0.07 0.00 0.05 0.00 0.00 58.73 58.83 1iou h TYR 128 Cb 0.65 0.20 -0.03 0.00 1.01 0.00 0.00 36.73 38.56 1iou h TYR 128 CO 0.00 -0.31 0.37 0.97 -1.05 0.00 0.00 178.16 178.14 1iou h ILE 129 N -1.08 0.96 0.03 -2.88 -0.00 -1.26 1.13 117.51 114.41 1iou h ILE 129 Ca -0.07 -0.16 -0.00 0.00 -0.00 0.00 0.00 64.86 64.63 1iou h ILE 129 Cb 0.58 0.44 0.00 0.00 -0.00 0.00 0.00 36.82 37.84 1iou h ILE 129 CO 0.11 0.09 -0.02 -1.28 -0.00 0.00 0.00 178.15 177.05 1iou h SER 130 N 0.47 -0.04 1.11 2.19 0.87 -1.36 -2.76 113.55 114.04 1iou h SER 130 Ca 0.25 -0.34 -0.09 0.00 -1.23 0.00 0.00 61.79 60.37 1iou h SER 130 Cb 0.37 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 1iou h SER 130 CO -0.07 0.33 -0.45 0.07 -0.53 0.00 0.00 176.83 176.18 1iou h LYS 131 N -0.41 0.00 0.45 2.24 5.09 -0.65 -3.27 116.57 120.01 1iou h LYS 131 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.72 1iou h LYS 131 Cb 0.38 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.70 1iou h LYS 131 CO 0.01 0.45 -0.27 1.88 -2.09 0.00 0.00 179.45 179.43 1iou h TYR 132 N 0.00 -0.70 -4.89 0.07 0.05 0.14 -3.45 116.97 108.20 1iou h TYR 132 Ca -0.00 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1iou h TYR 132 Cb 1.13 0.25 0.00 0.00 1.01 0.00 0.00 36.73 39.11 1iou h TYR 132 CO 0.00 -0.41 0.00 1.04 -1.05 0.00 0.00 178.16 177.74 1iou n GLN 133 N -5.40 -0.73 0.00 4.88 6.02 -1.05 -4.49 117.38 116.60 1iou n GLN 133 Ca -0.11 -0.31 0.00 0.00 -0.01 0.00 0.00 57.00 56.57 1iou n GLN 133 Cb 0.30 0.56 0.00 0.00 1.02 0.00 0.00 30.24 32.12 1iou n GLN 133 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1iou n ASP 134 N 0.58 0.00 -0.11 1.08 8.00 -1.26 -4.78 116.55 120.05 1iou n ASP 134 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 1iou n ASP 134 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 1iou n ASP 134 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1iou h PRO 135 N 0.00 0.82 -0.14 -0.24 0.13 -1.79 -3.38 132.00 127.40 1iou h PRO 135 Ca 0.00 -0.43 -0.15 0.00 -0.87 0.00 0.00 66.00 64.55 1iou h PRO 135 Cb 0.00 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 31.00 1iou h PRO 135 CO 0.00 1.06 -0.33 0.43 -0.23 0.00 0.00 178.00 178.94 1iou n SER 136 N -4.17 -2.38 0.03 1.44 7.64 -1.26 -4.76 113.62 110.16 1iou n SER 136 Ca -0.03 -2.62 0.21 0.00 1.01 0.00 0.00 58.87 57.44 1iou n SER 136 Cb 0.50 1.40 0.58 0.00 -1.01 0.00 0.00 64.21 65.69 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 3.88 0.00 -1.41 1.43 1.08 -1.82 -3.44 115.11 114.83 1iou h GLN 137 Ca -0.14 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.06 1iou h GLN 137 Cb 1.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.53 1iou h GLN 137 CO 0.10 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.98 1iou n ALA 138 N -2.18 0.00 -3.26 3.87 0.00 -1.26 -3.92 120.51 113.77 1iou n ALA 138 Ca 0.11 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.37 1iou n ALA 138 Cb 0.95 -0.49 0.06 0.00 0.00 0.00 0.00 19.45 19.97 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 0.37 -5.37 -0.31 0.00 -0.08 -1.26 -5.27 116.55 104.63 1iou n ASP 139 Ca 0.00 -0.38 0.15 0.00 -1.51 0.00 0.00 54.79 53.05 1iou n ASP 139 Cb 0.49 -4.02 0.68 0.00 2.34 0.00 0.00 41.12 40.61 1iou n ASP 139 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32