#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 -2.34 -1.42 2.12 1.74 -1.26 -4.77 116.66 110.72 1iou n ARG 2 Ca 0.00 1.54 -0.31 0.00 -0.77 0.00 0.00 57.85 58.31 1iou n ARG 2 Cb 0.00 -2.86 0.07 0.00 -1.02 0.00 0.00 32.46 28.66 1iou n ARG 2 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1iou s ILE 3 N -1.85 3.60 0.00 0.55 2.07 -1.26 -1.31 121.20 123.00 1iou s ILE 3 Ca 0.00 0.52 0.00 0.00 -1.41 0.00 0.00 60.65 59.76 1iou s ILE 3 Cb 0.00 -3.14 0.00 0.00 0.13 0.00 0.00 42.46 39.45 1iou s ILE 3 CO 0.00 -0.68 0.00 -1.22 -1.91 0.00 0.00 174.94 171.13 1iou n TYR 4 N -3.35 0.00 -3.70 3.50 4.01 -0.99 -4.85 117.16 111.77 1iou n TYR 4 Ca 0.08 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.68 1iou n TYR 4 Cb 0.54 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.49 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 -0.61 -0.29 0.23 -0.72 6.14 -0.33 0.12 117.35 121.89 1iou s TYR 5 Ca 0.00 0.44 -0.18 0.00 0.64 0.00 0.00 57.07 57.98 1iou s TYR 5 Cb 0.00 0.17 0.02 0.00 0.42 0.00 0.00 41.96 42.57 1iou s TYR 5 CO 0.00 -0.45 0.58 0.42 0.64 0.00 0.00 175.55 176.74 1iou s ILE 6 N -1.39 0.01 -5.00 3.14 1.01 -0.34 0.61 121.20 119.24 1iou s ILE 6 Ca -0.12 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.55 1iou s ILE 6 Cb -0.04 -1.84 0.00 0.00 0.01 0.00 0.00 42.46 40.59 1iou s ILE 6 CO 0.05 -0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.55 1iou n GLY 7 N -0.39 -0.45 3.14 6.18 0.00 0.18 0.27 105.19 114.12 1iou n GLY 7 Ca -0.06 -1.08 -0.08 0.00 0.00 0.00 0.00 46.02 44.79 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 -3.19 0.16 -0.24 1.61 1.01 0.35 -1.78 120.40 118.33 1iou s VAL 8 Ca 0.00 -1.75 -0.12 0.00 0.00 0.00 0.00 61.98 60.12 1iou s VAL 8 Cb 0.00 -1.69 0.08 0.00 0.00 0.00 0.00 36.38 34.77 1iou s VAL 8 CO 0.00 -0.74 0.55 -0.36 0.00 0.00 0.00 175.10 174.55 1iou s PHE 9 N -3.96 -0.92 -0.24 5.22 0.40 0.19 -2.34 117.98 116.33 1iou s PHE 9 Ca 0.13 1.80 -0.26 0.00 -0.60 0.00 0.00 56.93 58.00 1iou s PHE 9 Cb 0.07 0.50 0.00 0.00 0.51 0.00 0.00 43.02 44.10 1iou s PHE 9 CO -0.06 -0.48 0.91 0.50 0.70 0.00 0.00 175.22 176.79 1iou s ARG 10 N 1.88 4.20 -0.61 0.44 3.00 0.66 -1.74 118.95 126.78 1iou s ARG 10 Ca -0.08 1.08 -0.27 0.00 -1.00 0.00 0.00 55.73 55.46 1iou s ARG 10 Cb -0.08 -3.65 -0.10 0.00 0.00 0.00 0.00 34.95 31.11 1iou s ARG 10 CO -0.16 -0.58 2.48 0.43 0.00 0.00 0.00 175.30 177.47 1iou n SER 11 N 6.16 1.85 -1.95 -2.12 7.64 -1.26 0.10 113.62 124.04 1iou n SER 11 Ca 0.08 -0.36 0.00 0.00 1.01 0.00 0.00 58.87 59.60 1iou n SER 11 Cb 0.47 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 1iou n SER 11 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iou n GLY 12 N 6.12 1.22 0.00 0.23 0.00 -0.64 -4.86 105.19 107.26 1iou n GLY 12 Ca 0.44 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.82 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 0.18 0.22 -0.02 0.00 -1.26 -4.63 105.19 104.68 1iou n GLY 13 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 3.07 -1.99 -3.47 114.58 113.80 1iou h GLU 14 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1iou h GLU 14 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1iou h GLU 14 CO 0.00 0.23 0.00 0.36 -1.40 0.00 0.00 179.01 178.20 1iou n LYS 15 N -4.12 0.00 -3.01 2.33 0.00 -1.26 -5.06 118.16 107.04 1iou n LYS 15 Ca -0.02 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.91 1iou n LYS 15 Cb 0.29 0.00 -0.06 0.00 -0.00 0.00 0.00 35.03 35.26 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 -1.00 3.41 -0.26 0.58 0.00 -1.22 -1.62 121.76 121.65 1iou s ALA 16 Ca 0.00 0.30 -0.18 0.00 0.00 0.00 0.00 51.96 52.07 1iou s ALA 16 Cb 0.00 -2.92 -0.03 0.00 0.00 0.00 0.00 23.12 20.17 1iou s ALA 16 CO 0.00 0.30 0.53 -1.17 0.00 0.00 0.00 175.76 175.42 1iou s LEU 17 N -1.57 4.05 -0.80 0.00 1.98 0.28 -4.79 118.68 117.84 1iou s LEU 17 Ca 0.40 0.55 -0.29 0.00 -2.89 0.00 0.00 54.13 51.90 1iou s LEU 17 Cb -0.20 -2.69 -0.16 0.00 0.66 0.00 0.00 46.19 43.80 1iou s LEU 17 CO 0.24 -0.29 2.59 -0.62 -1.89 0.00 0.00 176.35 176.37 1iou n GLU 18 N 5.54 0.41 -0.03 1.98 1.02 -1.26 -0.25 120.64 128.05 1iou n GLU 18 Ca -0.04 -0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1iou n GLU 18 Cb 0.50 -2.26 -0.00 0.00 -0.02 0.00 0.00 31.44 29.65 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 15.00 0.00 -6.06 -4.62 5.85 -1.74 -2.11 115.31 121.63 1iou h LEU 19 Ca -0.12 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.70 1iou h LEU 19 Cb 1.29 0.00 -0.21 0.00 0.37 0.00 0.00 40.66 42.11 1iou h LEU 19 CO 1.30 0.31 -0.22 -0.94 -0.34 0.00 0.00 178.44 178.54 1iou s SER 20 N -4.54 -1.29 -0.14 1.25 1.04 -0.99 -0.68 113.70 108.35 1iou s SER 20 Ca -0.00 0.86 -0.04 0.00 0.48 0.00 0.00 55.95 57.25 1iou s SER 20 Cb 0.00 2.10 -0.03 0.00 0.10 0.00 0.00 66.02 68.19 1iou s SER 20 CO 0.01 -0.24 0.00 -1.61 0.98 0.00 0.00 173.24 172.38 1iou s GLU 21 N 2.87 3.58 -0.06 4.02 8.01 -1.26 0.13 118.70 135.99 1iou s GLU 21 Ca 0.17 -0.43 0.06 0.00 0.01 0.00 0.00 54.97 54.78 1iou s GLU 21 Cb -0.14 -2.97 -0.01 0.00 -4.31 0.00 0.00 34.13 26.69 1iou s GLU 21 CO -0.20 0.38 -0.24 0.54 0.01 0.00 0.00 175.26 175.75 1iou s VAL 22 N 0.02 1.99 0.28 2.63 0.11 0.14 -4.71 120.40 120.87 1iou s VAL 22 Ca 0.03 -1.03 0.09 0.00 -2.93 0.00 0.00 61.98 58.14 1iou s VAL 22 Cb -0.13 -1.69 -0.04 0.00 -1.53 0.00 0.00 36.38 32.99 1iou s VAL 22 CO 0.02 0.55 0.01 -0.54 -3.33 0.00 0.00 175.10 171.81 1iou s LYS 23 N -0.10 2.29 -0.22 1.54 3.01 -1.26 -1.19 119.74 123.81 1iou s LYS 23 Ca -0.05 -1.45 -0.03 0.00 -1.01 0.00 0.00 55.97 53.43 1iou s LYS 23 Cb -0.14 -2.15 0.07 0.00 -1.01 0.00 0.00 37.83 34.60 1iou s LYS 23 CO 0.04 0.33 0.07 -0.51 0.51 0.00 0.00 175.35 175.79 1iou s ASP 24 N -3.69 3.01 -0.97 2.83 1.11 0.31 -4.91 116.67 114.36 1iou s ASP 24 Ca 0.32 -0.95 -0.01 0.00 0.18 0.00 0.00 52.55 52.09 1iou s ASP 24 Cb -0.06 -0.49 0.30 0.00 1.07 0.00 0.00 42.92 43.75 1iou s ASP 24 CO 0.20 -0.36 1.38 0.18 1.18 0.00 0.00 175.17 177.76 1iou n LEU 25 N 5.12 6.02 0.00 1.23 7.99 -1.26 -4.62 117.00 131.48 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 -1.12 0.00 0.00 -0.11 0.00 0.00 43.42 42.66 1iou n LEU 25 CO 0.10 1.85 0.38 -1.20 -1.51 0.00 0.00 177.39 177.01 1iou n SER 26 N 0.94 0.00 0.13 -1.43 7.64 -1.26 -3.94 113.62 115.71 1iou n SER 26 Ca 0.30 0.77 0.08 0.00 1.01 0.00 0.00 58.87 61.03 1iou n SER 26 Cb 0.34 -0.27 0.04 0.00 -1.01 0.00 0.00 64.21 63.31 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 -6.54 1.43 4.20 -1.97 -3.45 115.11 108.78 1iou h GLN 27 Ca 0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 1iou h GLN 27 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1iou h GLN 27 CO 0.00 0.14 0.54 -0.06 -0.67 0.00 0.00 178.83 178.77 1iou s PHE 28 N -3.17 3.48 0.00 2.96 0.08 -1.25 -4.62 117.98 115.45 1iou s PHE 28 Ca 0.02 1.39 0.00 0.00 0.12 0.00 0.00 56.93 58.46 1iou s PHE 28 Cb 0.08 -3.38 0.00 0.00 -0.57 0.00 0.00 43.02 39.15 1iou s PHE 28 CO 0.75 -1.09 0.00 0.41 -0.10 0.00 0.00 175.22 175.19 1iou n GLY 29 N 2.85 0.00 1.57 4.36 0.00 -1.26 -4.61 105.19 108.09 1iou n GLY 29 Ca 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.65 -0.61 1.61 -1.74 -1.26 -4.60 117.46 111.51 1iou n PHE 30 Ca 0.00 -1.26 0.00 0.00 -0.56 0.00 0.00 57.45 55.63 1iou n PHE 30 Cb 0.00 -0.62 0.00 0.00 1.52 0.00 0.00 39.48 40.38 1iou n PHE 30 CO 0.00 0.00 0.00 1.19 -0.56 0.00 0.00 176.76 177.39 1iou n PHE 31 N 0.81 0.00 -0.03 2.97 3.72 -1.26 -4.92 117.46 118.75 1iou n PHE 31 Ca 0.13 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.50 1iou n PHE 31 Cb 0.58 -0.23 -0.05 0.00 -0.94 0.00 0.00 39.48 38.85 1iou n PHE 31 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1iou n GLU 32 N -2.61 2.80 -0.28 -1.08 0.28 -1.26 -4.60 120.64 113.89 1iou n GLU 32 Ca 0.00 -0.01 0.20 0.00 -0.16 0.00 0.00 57.16 57.19 1iou n GLU 32 Cb 0.00 -1.16 0.50 0.00 1.43 0.00 0.00 31.44 32.21 1iou n GLU 32 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 177.13 177.04 1iou h ARG 33 N 0.00 0.42 0.32 3.44 0.11 -1.87 0.28 114.38 117.09 1iou h ARG 33 Ca -0.16 -0.03 -0.02 0.00 0.10 0.00 0.00 59.98 59.88 1iou h ARG 33 Cb 1.32 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 32.31 1iou h ARG 33 CO 0.01 0.28 -0.16 1.03 0.10 0.00 0.00 179.97 181.23 1iou h SER 34 N 0.43 -0.37 -0.79 0.08 0.87 -1.95 0.28 113.55 112.10 1iou h SER 34 Ca 0.52 -0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.98 1iou h SER 34 Cb 1.26 0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 63.28 1iou h SER 34 CO -0.22 -0.18 0.32 0.28 -0.53 0.00 0.00 176.83 176.50 1iou h SER 35 N -0.54 1.09 -0.02 6.23 0.02 -1.39 -2.55 113.55 116.38 1iou h SER 35 Ca -0.04 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1iou h SER 35 Cb 0.40 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 1iou h SER 35 CO 0.07 0.96 0.01 0.58 -1.14 0.00 0.00 176.83 177.31 1iou h VAL 36 N 1.15 1.15 -0.62 2.27 2.07 -0.34 -1.25 116.25 120.67 1iou h VAL 36 Ca 0.27 -0.44 0.13 0.00 0.82 0.00 0.00 66.70 67.47 1iou h VAL 36 Cb 0.21 1.41 -0.10 0.00 -1.52 0.00 0.00 31.29 31.29 1iou h VAL 36 CO -0.02 0.12 0.09 1.23 0.02 0.00 0.00 177.57 179.01 1iou h GLY 37 N -0.14 0.77 1.80 2.17 0.00 -0.28 1.03 103.07 108.40 1iou h GLY 37 Ca 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 1iou h GLY 37 CO -0.00 -0.16 0.10 1.46 0.00 0.00 0.00 176.54 177.94 1iou h GLN 38 N 0.21 0.27 -0.08 4.80 4.20 -1.27 0.25 115.11 123.49 1iou h GLN 38 Ca 0.33 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.01 1iou h GLN 38 Cb 0.52 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.24 1iou h GLN 38 CO -0.46 0.22 0.01 0.35 -0.67 0.00 0.00 178.83 178.28 1iou h PHE 39 N 0.28 0.14 0.57 2.96 3.04 0.21 0.07 116.94 124.21 1iou h PHE 39 Ca 0.07 -0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.97 1iou h PHE 39 Cb 0.03 -0.04 0.01 0.00 2.56 0.00 0.00 35.95 38.51 1iou h PHE 39 CO 0.00 0.35 -0.28 0.52 -2.02 0.00 0.00 178.31 176.89 1iou h MET 40 N -0.12 -0.74 0.38 1.11 0.00 0.68 -2.18 114.93 114.06 1iou h MET 40 Ca 0.02 0.05 -0.01 0.00 0.00 0.00 0.00 59.70 59.77 1iou h MET 40 Cb 0.29 0.17 -0.03 0.00 0.00 0.00 0.00 31.60 32.03 1iou h MET 40 CO 0.00 -0.44 -0.51 1.15 0.00 0.00 0.00 176.91 177.12 1iou h THR 41 N -0.98 0.00 -0.97 2.22 2.02 -0.61 0.58 112.91 115.17 1iou h THR 41 Ca -0.08 0.00 0.29 0.00 0.77 0.00 0.00 66.41 67.39 1iou h THR 41 Cb 0.65 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.92 1iou h THR 41 CO 0.13 0.00 0.50 0.15 0.37 0.00 0.00 175.52 176.67 1iou h PHE 42 N -0.92 0.82 -0.02 3.16 3.57 -1.05 1.10 116.94 123.60 1iou h PHE 42 Ca -0.05 0.04 -0.17 0.00 3.53 0.00 0.00 57.97 61.32 1iou h PHE 42 Cb 0.83 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 1iou h PHE 42 CO -0.31 -0.14 -0.77 0.35 -2.23 0.00 0.00 178.31 175.21 1iou h PHE 43 N 0.34 0.25 -0.04 0.41 3.57 -0.67 -2.40 116.94 118.40 1iou h PHE 43 Ca 0.68 -0.12 -0.19 0.00 3.53 0.00 0.00 57.97 61.87 1iou h PHE 43 Cb 1.47 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 40.17 1iou h PHE 43 CO -0.06 0.87 -0.78 0.00 -2.23 0.00 0.00 178.31 176.11 1iou h ALA 44 N 1.09 0.58 -0.23 2.41 0.00 0.64 -2.48 119.26 121.27 1iou h ALA 44 Ca -0.03 -0.64 -0.16 0.00 0.00 0.00 0.00 54.91 54.08 1iou h ALA 44 Cb 1.34 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1iou h ALA 44 CO 0.11 0.81 -0.48 1.05 0.00 0.00 0.00 179.25 180.74 1iou h GLU 45 N 0.21 0.73 0.20 0.00 4.11 0.44 -2.84 114.58 117.43 1iou h GLU 45 Ca -0.04 -0.48 -0.00 0.00 0.07 0.00 0.00 59.36 58.91 1iou h GLU 45 Cb 1.37 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.67 1iou h GLU 45 CO 0.13 1.10 -0.14 1.15 0.07 0.00 0.00 179.01 181.33 1iou h THR 46 N 0.46 0.71 -0.21 -1.06 2.02 -1.44 -1.36 112.91 112.03 1iou h THR 46 Ca 0.01 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.22 1iou h THR 46 Cb 1.08 0.71 -0.06 0.00 -1.74 0.00 0.00 68.15 68.15 1iou h THR 46 CO 0.11 0.00 -0.43 -0.37 0.37 0.00 0.00 175.52 175.19 1iou h VAL 47 N -0.33 0.00 -0.88 3.16 -1.51 -1.45 1.15 116.25 116.39 1iou h VAL 47 Ca -0.01 0.00 0.26 0.00 -1.23 0.00 0.00 66.70 65.71 1iou h VAL 47 Cb 0.29 0.00 -0.04 0.00 -2.13 0.00 0.00 31.29 29.41 1iou h VAL 47 CO 0.01 0.00 0.65 0.00 -1.23 0.00 0.00 177.57 176.99 1iou h ALA 48 N -0.44 2.83 -0.09 5.19 0.00 -1.41 1.47 119.26 126.81 1iou h ALA 48 Ca 0.04 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.71 1iou h ALA 48 Cb 0.50 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1iou h ALA 48 CO -0.40 -1.10 -0.79 1.03 0.00 0.00 0.00 179.25 177.99 1iou h SER 49 N 0.00 0.67 -0.00 0.00 0.87 0.14 -3.30 113.55 111.93 1iou h SER 49 Ca 0.42 -0.45 -0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1iou h SER 49 Cb 1.71 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.47 1iou h SER 49 CO -0.00 1.22 -0.01 0.03 -0.53 0.00 0.00 176.83 177.54 1iou h ARG 50 N 0.37 0.01 -6.02 2.24 3.08 0.94 -3.42 114.38 111.57 1iou h ARG 50 Ca -0.05 -0.01 -0.55 0.00 0.07 0.00 0.00 59.98 59.44 1iou h ARG 50 Cb 1.40 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.43 1iou h ARG 50 CO 0.15 0.77 1.42 0.99 -1.07 0.00 0.00 179.97 182.22 1iou s THR 51 N -3.17 3.24 0.00 2.04 2.01 0.41 -4.83 115.64 115.33 1iou s THR 51 Ca -0.17 0.22 -0.00 0.00 0.31 0.00 0.00 61.69 62.04 1iou s THR 51 Cb -0.01 -3.39 -0.02 0.00 0.01 0.00 0.00 72.50 69.09 1iou s THR 51 CO 0.69 -0.30 2.07 0.61 -0.69 0.00 0.00 174.62 177.00 1iou n GLY 52 N 5.67 2.48 1.34 4.40 0.00 -1.26 -4.80 105.19 113.03 1iou n GLY 52 Ca 0.27 -0.09 0.16 0.00 0.00 0.00 0.00 46.02 46.36 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 -3.54 -1.10 4.61 0.00 -1.26 -4.84 120.51 115.96 1iou n ALA 53 Ca 0.03 0.73 -0.04 0.00 0.00 0.00 0.00 53.44 54.17 1iou n ALA 53 Cb 0.52 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.54 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 -4.12 0.65 2.03 0.00 0.00 -1.26 -4.95 105.19 97.54 1iou n GLY 54 Ca -0.06 -0.55 -0.00 0.00 0.00 0.00 0.00 46.02 45.41 1iou n GLY 54 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1iou n GLU 55 N -2.56 0.25 -4.29 1.61 0.28 -1.26 -5.07 120.64 109.59 1iou n GLU 55 Ca -0.04 -0.63 -0.16 0.00 -0.16 0.00 0.00 57.16 56.18 1iou n GLU 55 Cb 0.16 0.90 -0.10 0.00 1.43 0.00 0.00 31.44 33.83 1iou n GLU 55 CO 0.00 0.00 0.00 -0.98 -0.16 0.00 0.00 177.13 175.99 1iou s ARG 56 N -2.02 1.21 0.31 3.44 1.70 -1.26 -2.11 118.95 120.23 1iou s ARG 56 Ca 0.13 -1.58 0.03 0.00 -0.47 0.00 0.00 55.73 53.84 1iou s ARG 56 Cb -0.01 -0.55 -0.04 0.00 -0.57 0.00 0.00 34.95 33.78 1iou s ARG 56 CO 0.02 -0.05 0.13 -0.65 -1.08 0.00 0.00 175.30 173.66 1iou s GLN 57 N -3.84 1.60 -0.28 3.89 -1.52 -0.82 -4.94 119.66 113.75 1iou s GLN 57 Ca 0.24 -1.91 0.02 0.00 -1.95 0.00 0.00 55.36 51.76 1iou s GLN 57 Cb 0.05 -0.28 0.16 0.00 -0.22 0.00 0.00 33.01 32.72 1iou s GLN 57 CO 0.05 -0.39 0.44 -1.54 -0.25 0.00 0.00 175.29 173.61 1iou s SER 58 N -3.40 -0.05 -0.60 5.90 1.04 -1.24 0.39 113.70 115.74 1iou s SER 58 Ca 0.35 -0.11 -0.25 0.00 0.48 0.00 0.00 55.95 56.42 1iou s SER 58 Cb 0.06 1.31 0.05 0.00 0.10 0.00 0.00 66.02 67.54 1iou s SER 58 CO 0.16 -0.33 1.02 -0.63 0.98 0.00 0.00 173.24 174.44 1iou s ILE 59 N 2.61 4.25 -0.29 -1.02 1.01 -0.91 -4.77 121.20 122.08 1iou s ILE 59 Ca 0.11 0.23 -0.23 0.00 0.00 0.00 0.00 60.65 60.76 1iou s ILE 59 Cb -0.13 -4.64 -0.00 0.00 0.01 0.00 0.00 42.46 37.70 1iou s ILE 59 CO -0.27 -1.31 0.76 -1.61 0.00 0.00 0.00 174.94 172.51 1iou s GLU 60 N 4.31 4.01 0.45 2.79 2.02 -1.26 -0.91 118.70 130.10 1iou s GLU 60 Ca 0.31 0.60 0.05 0.00 0.02 0.00 0.00 54.97 55.95 1iou s GLU 60 Cb -0.12 -3.71 -0.06 0.00 0.10 0.00 0.00 34.13 30.35 1iou s GLU 60 CO 0.17 -0.61 0.01 -1.21 0.02 0.00 0.00 175.26 173.64 1iou s GLU 61 N 2.84 2.04 0.56 1.61 0.41 0.23 -4.97 118.70 121.44 1iou s GLU 61 Ca 0.31 -2.21 0.43 0.00 -0.41 0.00 0.00 54.97 53.09 1iou s GLU 61 Cb -0.15 -1.60 1.56 0.00 -1.78 0.00 0.00 34.13 32.16 1iou s GLU 61 CO 0.11 -0.16 1.60 0.78 -0.49 0.00 0.00 175.26 177.10 1iou h GLY 62 N 1.62 0.00 -4.82 -1.39 0.00 -2.04 -3.00 103.07 93.43 1iou h GLY 62 Ca -0.44 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.73 1iou h GLY 62 CO 0.79 0.00 -0.20 -2.01 0.00 0.00 0.00 176.54 175.12 1iou n ASN 63 N -3.88 -1.47 -3.54 0.19 2.85 -1.26 -5.12 115.26 103.03 1iou n ASN 63 Ca 0.35 -2.11 -0.17 0.00 -0.11 0.00 0.00 54.58 52.53 1iou n ASN 63 Cb 1.70 0.83 -0.06 0.00 1.24 0.00 0.00 39.78 43.49 1iou n ASN 63 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 1iou s TYR 64 N 0.13 -0.67 -0.12 1.20 2.02 -1.14 -4.83 117.35 113.94 1iou s TYR 64 Ca 0.13 1.23 -0.02 0.00 -0.37 0.00 0.00 57.07 58.04 1iou s TYR 64 Cb 0.32 0.39 0.04 0.00 -0.40 0.00 0.00 41.96 42.31 1iou s TYR 64 CO -0.08 -0.57 0.00 0.42 -1.57 0.00 0.00 175.55 173.75 1iou s ILE 65 N -0.97 0.51 -0.94 2.71 1.01 0.39 0.76 121.20 124.68 1iou s ILE 65 Ca -0.09 -0.16 -0.15 0.00 0.00 0.00 0.00 60.65 60.24 1iou s ILE 65 Cb -0.01 -0.77 0.19 0.00 0.01 0.00 0.00 42.46 41.88 1iou s ILE 65 CO 0.09 0.12 1.01 -0.83 0.00 0.00 0.00 174.94 175.32 1iou s GLY 66 N 1.90 2.42 -0.22 6.18 0.00 -0.09 0.80 107.32 118.30 1iou s GLY 66 Ca 0.03 -3.17 -0.29 0.00 0.00 0.00 0.00 44.72 41.29 1iou s GLY 66 CO -0.07 1.63 1.83 0.30 0.00 0.00 0.00 173.10 176.80 1iou s HIS 67 N 1.11 1.73 -0.05 1.90 3.76 0.68 -2.14 115.29 122.28 1iou s HIS 67 Ca 0.27 0.45 -0.02 0.00 -0.15 0.00 0.00 55.06 55.61 1iou s HIS 67 Cb -0.07 -4.05 -0.04 0.00 1.11 0.00 0.00 32.58 29.54 1iou s HIS 67 CO -0.08 -3.47 0.08 0.08 -0.85 0.00 0.00 174.74 170.49 1iou s VAL 68 N 6.26 4.83 -0.18 -0.90 1.01 0.16 0.22 120.40 131.80 1iou s VAL 68 Ca 0.82 -0.21 -0.04 0.00 0.00 0.00 0.00 61.98 62.55 1iou s VAL 68 Cb -0.28 -3.14 0.08 0.00 0.00 0.00 0.00 36.38 33.05 1iou s VAL 68 CO 0.33 0.49 0.21 -0.31 0.00 0.00 0.00 175.10 175.82 1iou s TYR 69 N -1.07 -0.25 0.14 5.22 2.02 -0.86 -1.95 117.35 120.60 1iou s TYR 69 Ca 0.18 0.28 0.07 0.00 -0.37 0.00 0.00 57.07 57.23 1iou s TYR 69 Cb -0.12 -0.35 -0.04 0.00 -0.40 0.00 0.00 41.96 41.05 1iou s TYR 69 CO 0.08 -0.55 -0.05 0.00 -1.57 0.00 0.00 175.55 173.47 1iou s ALA 70 N 2.32 3.10 0.30 3.71 0.00 -0.89 -1.68 121.76 128.62 1iou s ALA 70 Ca 0.06 -1.30 0.09 0.00 0.00 0.00 0.00 51.96 50.81 1iou s ALA 70 Cb -0.15 -0.96 -0.06 0.00 0.00 0.00 0.00 23.12 21.95 1iou s ALA 70 CO -0.11 0.57 -0.12 0.50 0.00 0.00 0.00 175.76 176.60 1iou s ARG 71 N -2.58 1.68 -0.25 0.00 6.06 -1.26 -4.26 118.95 118.34 1iou s ARG 71 Ca 0.25 -1.83 -0.01 0.00 -2.50 0.00 0.00 55.73 51.64 1iou s ARG 71 Cb -0.10 -1.55 0.16 0.00 0.06 0.00 0.00 34.95 33.51 1iou s ARG 71 CO 0.17 0.17 2.05 0.45 -2.50 0.00 0.00 175.30 175.64 1iou n SER 72 N -0.66 6.21 -0.11 -2.12 2.88 -1.26 -4.12 113.62 114.43 1iou n SER 72 Ca -0.05 -2.91 -0.22 0.00 -1.33 0.00 0.00 58.87 54.36 1iou n SER 72 Cb 0.62 -1.08 -0.07 0.00 -0.75 0.00 0.00 64.21 62.93 1iou n SER 72 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1iou n GLU 73 N 0.65 0.48 0.00 -1.46 4.71 -1.26 -5.05 120.64 118.70 1iou n GLU 73 Ca 0.24 0.21 0.00 0.00 -0.01 0.00 0.00 57.16 57.59 1iou n GLU 73 Cb 0.56 -1.30 0.00 0.00 -1.01 0.00 0.00 31.44 29.69 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 1.61 0.26 2.73 0.62 0.00 -1.26 -4.86 105.19 104.29 1iou n GLY 74 Ca -0.39 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.38 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 0.33 0.78 -0.61 -0.00 -1.26 -4.16 121.20 116.27 1iou s ILE 75 Ca 0.00 -0.15 -0.07 0.00 -0.00 0.00 0.00 60.65 60.43 1iou s ILE 75 Cb 0.00 -0.70 0.12 0.00 -0.00 0.00 0.00 42.46 41.88 1iou s ILE 75 CO 0.00 -0.00 1.09 0.00 -0.00 0.00 0.00 174.94 176.03 1iou s GLY 77 N -4.68 1.29 0.05 0.00 0.00 -0.67 0.55 107.32 103.84 1iou s GLY 77 Ca 0.66 -1.62 0.01 0.00 0.00 0.00 0.00 44.72 43.77 1iou s GLY 77 CO 0.47 -1.55 -0.06 0.14 0.00 0.00 0.00 173.10 172.10 1iou s VAL 78 N -3.63 0.44 0.07 1.40 1.01 -0.73 -2.03 120.40 116.92 1iou s VAL 78 Ca 0.25 -1.29 0.02 0.00 0.00 0.00 0.00 61.98 60.97 1iou s VAL 78 Cb 0.06 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 1iou s VAL 78 CO 0.05 -0.57 -0.08 -0.76 0.00 0.00 0.00 175.10 173.74 1iou s LEU 79 N -1.98 2.34 -0.17 3.92 1.02 0.61 -0.65 118.68 123.77 1iou s LEU 79 Ca -0.05 -0.71 -0.05 0.00 0.02 0.00 0.00 54.13 53.34 1iou s LEU 79 Cb -0.05 -0.17 0.08 0.00 0.02 0.00 0.00 46.19 46.07 1iou s LEU 79 CO -0.02 -0.28 0.32 -0.63 0.02 0.00 0.00 176.35 175.76 1iou s ILE 80 N -2.12 -0.50 0.13 -0.59 1.01 0.20 0.25 121.20 119.58 1iou s ILE 80 Ca -0.02 0.17 0.03 0.00 0.00 0.00 0.00 60.65 60.83 1iou s ILE 80 Cb -0.05 -0.58 -0.01 0.00 0.01 0.00 0.00 42.46 41.84 1iou s ILE 80 CO -0.01 0.04 0.12 1.07 0.00 0.00 0.00 174.94 176.16 1iou n THR 81 N 5.36 0.00 -2.37 2.92 5.66 0.24 -1.18 114.28 124.91 1iou n THR 81 Ca -0.06 -0.93 -0.31 0.00 -3.05 0.00 0.00 64.05 59.70 1iou n THR 81 Cb 0.50 0.47 -0.02 0.00 -1.55 0.00 0.00 70.33 69.73 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 -1.90 6.45 0.58 1.09 -1.08 -0.43 0.15 116.67 121.53 1iou s ASP 82 Ca 0.15 1.37 0.29 0.00 -0.52 0.00 0.00 52.55 53.84 1iou s ASP 82 Cb 0.01 -2.43 1.49 0.00 -1.46 0.00 0.00 42.92 40.53 1iou s ASP 82 CO 0.11 -0.63 1.92 0.50 0.52 0.00 0.00 175.17 177.59 1iou h LYS 83 N 0.56 0.00 -1.73 4.34 1.63 -1.88 -0.36 116.57 119.13 1iou h LYS 83 Ca -0.46 0.00 -0.40 0.00 -0.85 0.00 0.00 60.65 58.94 1iou h LYS 83 Cb 1.19 0.00 -0.16 0.00 -0.60 0.00 0.00 32.23 32.66 1iou h LYS 83 CO 0.62 0.00 0.39 1.04 -3.45 0.00 0.00 179.45 178.05 1iou n GLN 84 N -3.79 2.08 -3.44 1.90 6.02 -1.26 -4.62 117.38 114.27 1iou n GLN 84 Ca 0.08 -1.91 -0.26 0.00 -0.01 0.00 0.00 57.00 54.90 1iou n GLN 84 Cb 0.64 -1.87 -0.11 0.00 1.02 0.00 0.00 30.24 29.92 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 -1.72 0.43 0.30 1.08 6.14 -0.15 -4.74 117.35 118.70 1iou s TYR 85 Ca 0.45 -1.35 -0.25 0.00 0.64 0.00 0.00 57.07 56.56 1iou s TYR 85 Cb 0.31 -0.78 -0.16 0.00 0.42 0.00 0.00 41.96 41.75 1iou s TYR 85 CO -0.10 -0.86 0.31 -2.30 0.64 0.00 0.00 175.55 173.23 1iou n PRO 86 N 4.21 0.01 0.08 4.97 -0.02 -1.26 -4.88 135.00 138.11 1iou n PRO 86 Ca 0.10 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.53 1iou n PRO 86 Cb 0.39 -1.01 -0.05 0.00 -0.02 0.00 0.00 33.50 32.81 1iou n PRO 86 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1iou h VAL 87 N 0.66 1.62 -0.06 -1.45 3.04 -1.97 -3.30 116.25 114.80 1iou h VAL 87 Ca -0.33 -3.11 0.04 0.00 -1.01 0.00 0.00 66.70 62.29 1iou h VAL 87 Cb 1.44 2.69 -0.05 0.00 -2.01 0.00 0.00 31.29 33.36 1iou h VAL 87 CO 0.52 0.88 -0.25 0.03 -1.01 0.00 0.00 177.57 177.74 1iou h ARG 88 N 0.00 -0.34 -0.29 4.17 2.47 -1.99 0.38 114.38 118.78 1iou h ARG 88 Ca -0.01 0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.72 1iou h ARG 88 Cb 1.62 0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 30.00 1iou h ARG 88 CO 0.12 -0.23 0.12 -1.35 0.56 0.00 0.00 179.97 179.18 1iou h PRO 89 N -0.36 0.40 -0.00 0.04 0.11 -1.90 0.30 132.00 130.59 1iou h PRO 89 Ca 0.08 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.09 1iou h PRO 89 Cb 0.47 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 1iou h PRO 89 CO -0.26 0.33 -0.27 0.00 -0.21 0.00 0.00 178.00 177.60 1iou h ALA 90 N 1.73 1.56 -0.54 -0.75 0.00 -1.25 -0.57 119.26 119.44 1iou h ALA 90 Ca 0.10 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1iou h ALA 90 Cb 0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1iou h ALA 90 CO -0.01 0.33 0.02 -0.92 0.00 0.00 0.00 179.25 178.68 1iou h TYR 91 N 0.00 1.01 -0.80 0.00 5.03 0.34 0.18 116.97 122.74 1iou h TYR 91 Ca -0.00 -0.17 0.02 0.00 2.58 0.00 0.00 58.73 61.16 1iou h TYR 91 Cb 0.47 -0.27 -0.04 0.00 1.55 0.00 0.00 36.73 38.44 1iou h TYR 91 CO 0.00 0.92 0.52 1.15 -1.32 0.00 0.00 178.16 179.43 1iou h THR 92 N 0.81 1.16 -0.57 1.81 2.02 -0.26 0.34 112.91 118.22 1iou h THR 92 Ca 0.16 -0.36 -0.04 0.00 0.77 0.00 0.00 66.41 66.94 1iou h THR 92 Cb 0.50 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 1iou h THR 92 CO 0.02 0.19 0.20 0.25 0.37 0.00 0.00 175.52 176.56 1iou h LEU 93 N 1.04 0.81 -2.17 2.58 6.46 -0.63 -0.13 115.31 123.28 1iou h LEU 93 Ca 0.31 -0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 1iou h LEU 93 Cb -0.06 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 39.66 1iou h LEU 93 CO -0.09 0.78 0.00 0.17 -0.62 0.00 0.00 178.44 178.68 1iou h LEU 94 N 0.80 0.00 0.04 2.25 8.10 0.38 -1.10 115.31 125.78 1iou h LEU 94 Ca 0.19 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.18 1iou h LEU 94 Cb 0.24 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.46 1iou h LEU 94 CO -0.01 0.00 -0.02 -1.13 -4.11 0.00 0.00 178.44 173.17 1iou h ASN 95 N 0.00 -0.05 -0.74 0.17 -1.24 0.90 -2.66 115.58 111.95 1iou h ASN 95 Ca 0.00 0.00 0.09 0.00 0.71 0.00 0.00 56.30 57.10 1iou h ASN 95 Cb 0.17 0.01 -0.07 0.00 0.73 0.00 0.00 38.32 39.16 1iou h ASN 95 CO 0.00 0.07 0.40 0.11 -1.29 0.00 0.00 177.43 176.72 1iou h LYS 96 N -0.27 0.67 0.43 6.67 1.79 -1.38 -1.71 116.57 122.78 1iou h LYS 96 Ca -0.01 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 1iou h LYS 96 Cb 0.04 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.53 1iou h LYS 96 CO 0.01 0.44 -0.33 0.97 -1.08 0.00 0.00 179.45 179.46 1iou h ILE 97 N 0.69 0.33 -0.05 1.86 2.10 -1.35 0.75 117.51 121.83 1iou h ILE 97 Ca 0.36 0.00 0.04 0.00 1.08 0.00 0.00 64.86 66.33 1iou h ILE 97 Cb 0.33 0.33 -0.05 0.00 -1.09 0.00 0.00 36.82 36.34 1iou h ILE 97 CO -0.24 0.00 -0.23 -0.07 -1.08 0.00 0.00 178.15 176.53 1iou h LEU 98 N -0.75 -0.69 -2.09 2.19 -0.00 -1.18 0.74 115.31 113.54 1iou h LEU 98 Ca -0.04 0.10 -0.02 0.00 -0.00 0.00 0.00 57.88 57.92 1iou h LEU 98 Cb 0.64 0.29 -0.00 0.00 -0.00 0.00 0.00 40.66 41.59 1iou h LEU 98 CO 0.00 -0.29 -0.08 0.44 -0.00 0.00 0.00 178.44 178.51 1iou h ASP 99 N -0.34 0.00 0.04 -0.43 3.32 -1.20 -2.54 116.42 115.26 1iou h ASP 99 Ca 0.07 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.02 1iou h ASP 99 Cb 0.44 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.00 1iou h ASP 99 CO -0.24 0.08 -0.44 -0.08 -1.72 0.00 0.00 179.24 176.84 1iou h GLU 100 N 0.00 0.24 -0.38 3.56 4.57 0.28 -2.39 114.58 120.45 1iou h GLU 100 Ca -0.00 -0.30 0.05 0.00 -1.18 0.00 0.00 59.36 57.92 1iou h GLU 100 Cb 0.19 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.86 1iou h GLU 100 CO 0.01 1.06 0.26 -0.92 -1.18 0.00 0.00 179.01 178.23 1iou h TYR 101 N -0.45 0.32 0.01 0.92 3.20 0.74 -0.60 116.97 121.11 1iou h TYR 101 Ca -0.07 0.01 -0.19 0.00 3.14 0.00 0.00 58.73 61.62 1iou h TYR 101 Cb 1.24 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.39 1iou h TYR 101 CO 0.19 0.18 -0.88 -0.07 -1.64 0.00 0.00 178.16 175.94 1iou h LEU 102 N 0.33 0.19 -0.03 2.82 3.38 -1.50 -3.32 115.31 117.17 1iou h LEU 102 Ca 0.16 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1iou h LEU 102 Cb 0.23 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1iou h LEU 102 CO -0.04 0.97 -0.02 0.58 0.09 0.00 0.00 178.44 180.03 1iou h VAL 103 N 0.08 1.34 -0.05 1.22 2.07 -0.59 -2.91 116.25 117.39 1iou h VAL 103 Ca -0.04 -1.03 0.01 0.00 0.82 0.00 0.00 66.70 66.47 1iou h VAL 103 Cb 1.52 1.97 -0.00 0.00 -1.52 0.00 0.00 31.29 33.26 1iou h VAL 103 CO 0.13 0.27 0.71 0.00 0.02 0.00 0.00 177.57 178.71 1iou h ALA 104 N 0.59 1.76 -1.28 1.67 0.00 -1.44 -3.39 119.26 117.18 1iou h ALA 104 Ca 0.01 -0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.08 1iou h ALA 104 Cb 0.45 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 17.95 1iou h ALA 104 CO 0.00 -0.74 0.57 -3.38 0.00 0.00 0.00 179.25 175.70 1iou s HIS 105 N -4.07 -0.31 0.65 0.00 0.00 -1.10 -5.14 115.29 105.31 1iou s HIS 105 Ca -0.02 0.62 -0.12 0.00 -3.00 0.00 0.00 55.06 52.55 1iou s HIS 105 Cb 0.05 0.19 -0.11 0.00 -4.00 0.00 0.00 32.58 28.71 1iou s HIS 105 CO 0.15 -0.16 -0.49 -2.30 -1.00 0.00 0.00 174.74 170.94 1iou n PRO 106 N 3.41 0.00 -0.11 -0.38 -0.02 -1.22 -4.57 135.00 132.12 1iou n PRO 106 Ca -0.18 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.20 1iou n PRO 106 Cb 0.57 -0.72 -0.07 0.00 -0.02 0.00 0.00 33.50 33.26 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 -0.59 -0.26 0.00 -0.52 1.57 -1.96 -1.53 116.57 113.28 1iou h LYS 107 Ca -0.31 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1iou h LYS 107 Cb 0.95 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.32 1iou h LYS 107 CO 0.19 -0.17 -0.01 1.05 -0.57 0.00 0.00 179.45 179.93 1iou h GLU 108 N -0.27 0.00 -0.91 3.15 4.11 -1.97 -1.90 114.58 116.79 1iou h GLU 108 Ca 0.06 0.00 0.22 0.00 0.07 0.00 0.00 59.36 59.70 1iou h GLU 108 Cb 0.42 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.55 1iou h GLU 108 CO -0.44 0.01 0.43 0.93 0.07 0.00 0.00 179.01 180.01 1iou h GLU 109 N 0.00 0.44 0.04 1.06 4.39 -1.55 -2.28 114.58 116.68 1iou h GLU 109 Ca -0.00 -0.03 -0.36 0.00 0.34 0.00 0.00 59.36 59.31 1iou h GLU 109 Cb 0.03 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.53 1iou h GLU 109 CO 0.00 0.29 -2.20 -2.67 -1.16 0.00 0.00 179.01 173.27 1iou n TRP 110 N -5.00 0.54 -2.81 4.33 4.27 -1.06 -4.95 117.44 112.76 1iou n TRP 110 Ca 0.22 0.14 0.00 0.00 -3.89 0.00 0.00 57.50 53.97 1iou n TRP 110 Cb 0.65 -1.08 0.00 0.00 -1.36 0.00 0.00 31.31 29.52 1iou n TRP 110 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1iou n ALA 111 N -2.98 -0.80 -2.23 -1.67 0.00 -0.74 -0.08 120.51 112.01 1iou n ALA 111 Ca -0.35 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.07 1iou n ALA 111 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.50 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 0.66 -4.98 -4.67 0.00 9.92 -1.26 -4.92 116.55 111.29 1iou n ASP 112 Ca 0.00 0.14 -0.42 0.00 -0.53 0.00 0.00 54.79 53.97 1iou n ASP 112 Cb 0.00 -3.21 -0.03 0.00 -0.64 0.00 0.00 41.12 37.24 1iou n ASP 112 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1iou s VAL 113 N -2.34 3.39 -0.46 2.53 1.01 0.89 -4.87 120.40 120.55 1iou s VAL 113 Ca 0.07 0.65 0.08 0.00 0.00 0.00 0.00 61.98 62.78 1iou s VAL 113 Cb -0.02 -3.42 0.53 0.00 0.00 0.00 0.00 36.38 33.47 1iou s VAL 113 CO 0.38 -0.03 1.39 1.07 0.00 0.00 0.00 175.10 177.91 1iou n THR 114 N 5.10 1.97 -2.79 3.92 5.66 -1.26 -4.59 114.28 122.29 1iou n THR 114 Ca 0.16 -1.00 -0.00 0.00 -3.05 0.00 0.00 64.05 60.16 1iou n THR 114 Cb 0.42 -0.42 0.01 0.00 -1.55 0.00 0.00 70.33 68.80 1iou n THR 114 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 1iou s GLU 115 N -2.18 0.34 0.00 1.09 -1.05 -1.26 -5.06 118.70 110.58 1iou s GLU 115 Ca 0.37 -0.22 0.00 0.00 -0.15 0.00 0.00 54.97 54.97 1iou s GLU 115 Cb 0.29 0.01 0.00 0.00 -0.44 0.00 0.00 34.13 33.99 1iou s GLU 115 CO 0.10 -0.46 0.00 2.41 0.95 0.00 0.00 175.26 178.26 1iou n THR 116 N 3.36 0.00 -3.30 1.83 -1.04 -1.20 -5.09 114.28 108.84 1iou n THR 116 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 1iou n THR 116 Cb 0.62 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.13 1iou n THR 116 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1iou n ASN 117 N -2.10 0.00 0.30 8.00 0.23 0.14 -4.65 115.26 117.19 1iou n ASN 117 Ca 0.00 0.00 0.16 0.00 -0.53 0.00 0.00 54.58 54.21 1iou n ASN 117 Cb 0.00 0.00 0.82 0.00 -2.08 0.00 0.00 39.78 38.52 1iou n ASN 117 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 1iou h ASP 118 N 0.00 0.00 -0.33 0.53 3.04 -1.84 -1.69 116.42 116.13 1iou h ASP 118 Ca 0.00 0.00 0.06 0.00 -3.24 0.00 0.00 57.03 53.85 1iou h ASP 118 Cb 0.00 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 38.24 1iou h ASP 118 CO 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 179.24 177.20 1iou h ALA 119 N 1.39 0.30 -0.22 4.15 0.00 -1.92 0.04 119.26 122.99 1iou h ALA 119 Ca 0.03 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1iou h ALA 119 Cb 0.71 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1iou h ALA 119 CO -0.00 -0.40 0.00 1.28 0.00 0.00 0.00 179.25 180.13 1iou n LEU 120 N -5.17 1.39 -4.46 0.00 4.32 -0.64 -4.94 117.00 107.50 1iou n LEU 120 Ca 0.01 -0.66 -0.32 0.00 -0.02 0.00 0.00 56.01 55.02 1iou n LEU 120 Cb 0.17 -0.15 0.14 0.00 -1.62 0.00 0.00 43.42 41.96 1iou n LEU 120 CO 0.22 0.33 0.07 1.17 -1.22 0.00 0.00 177.39 177.96 1iou n LYS 121 N 0.21 -0.53 -5.05 3.23 4.81 -0.00 -4.95 118.16 115.88 1iou n LYS 121 Ca 0.11 -0.11 -0.29 0.00 -0.87 0.00 0.00 58.31 57.16 1iou n LYS 121 Cb 0.24 -1.97 -0.16 0.00 0.02 0.00 0.00 35.03 33.16 1iou n LYS 121 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 1iou s MET 122 N -3.88 2.13 0.65 1.64 -1.94 -1.26 -4.99 119.30 111.64 1iou s MET 122 Ca 0.59 -0.76 0.30 0.00 -1.71 0.00 0.00 55.69 54.12 1iou s MET 122 Cb -0.21 -1.84 1.65 0.00 2.01 0.00 0.00 34.83 36.44 1iou s MET 122 CO 0.65 0.32 1.96 0.87 -0.01 0.00 0.00 175.02 178.81 1iou h LYS 123 N 6.12 0.00 0.00 2.03 6.56 -1.98 -2.64 116.57 126.66 1iou h LYS 123 Ca -0.33 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.26 1iou h LYS 123 Cb 1.17 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.83 1iou h LYS 123 CO 0.47 0.00 0.00 1.04 -2.06 0.00 0.00 179.45 178.90 1iou n GLN 124 N -3.12 0.00 -0.35 3.15 3.00 -1.26 0.61 117.38 119.41 1iou n GLN 124 Ca 0.00 0.09 0.14 0.00 -0.01 0.00 0.00 57.00 57.22 1iou n GLN 124 Cb 0.41 -1.08 0.33 0.00 0.00 0.00 0.00 30.24 29.90 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 0.77 0.57 1.08 8.10 -1.87 0.69 115.31 124.64 1iou h LEU 125 Ca 0.00 0.10 -0.03 0.00 0.11 0.00 0.00 57.88 58.07 1iou h LEU 125 Cb 0.00 -0.03 0.01 0.00 -0.44 0.00 0.00 40.66 40.20 1iou h LEU 125 CO 0.00 0.24 -0.27 -0.78 -4.11 0.00 0.00 178.44 173.52 1iou h ASP 126 N 0.73 -0.64 0.04 0.17 1.82 -1.51 0.10 116.42 117.13 1iou h ASP 126 Ca 0.59 -0.04 -0.01 0.00 -0.39 0.00 0.00 57.03 57.19 1iou h ASP 126 Cb 0.96 0.17 -0.00 0.00 0.68 0.00 0.00 39.33 41.14 1iou h ASP 126 CO -0.40 -0.27 -0.03 0.74 -1.61 0.00 0.00 179.24 177.67 1iou h THR 127 N -1.08 0.95 0.55 2.25 2.02 0.67 -1.57 112.91 116.69 1iou h THR 127 Ca -0.08 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 1iou h THR 127 Cb 0.64 1.07 0.01 0.00 -1.74 0.00 0.00 68.15 68.12 1iou h THR 127 CO 0.13 0.03 -0.27 1.88 0.37 0.00 0.00 175.52 177.66 1iou h TYR 128 N 0.00 -0.69 -0.55 3.16 0.05 0.49 -2.69 116.97 116.74 1iou h TYR 128 Ca -0.00 -0.02 0.16 0.00 0.05 0.00 0.00 58.73 58.92 1iou h TYR 128 Cb 0.06 0.23 -0.02 0.00 1.01 0.00 0.00 36.73 38.01 1iou h TYR 128 CO 0.00 -0.43 0.49 0.97 -1.05 0.00 0.00 178.16 178.14 1iou h ILE 129 N -1.19 0.47 0.51 -2.88 -0.00 -0.56 1.18 117.51 115.05 1iou h ILE 129 Ca -0.08 0.00 -0.03 0.00 -0.00 0.00 0.00 64.86 64.76 1iou h ILE 129 Cb 0.57 0.63 0.01 0.00 -0.00 0.00 0.00 36.82 38.02 1iou h ILE 129 CO 0.12 0.00 -0.25 -1.28 -0.00 0.00 0.00 178.15 176.75 1iou h SER 130 N 0.00 -0.58 1.45 2.19 0.87 -1.20 -3.29 113.55 112.98 1iou h SER 130 Ca 0.26 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 1iou h SER 130 Cb 1.24 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.35 1iou h SER 130 CO -0.00 -0.17 -0.33 0.07 -0.53 0.00 0.00 176.83 175.87 1iou h LYS 131 N -1.17 0.00 0.00 2.24 -0.00 -1.10 -3.26 116.57 113.27 1iou h LYS 131 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.58 1iou h LYS 131 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.77 1iou h LYS 131 CO 0.12 0.00 0.00 0.66 -0.00 0.00 0.00 179.45 180.23 1iou n TYR 132 N -2.62 0.72 -0.62 0.07 4.02 0.40 -3.26 117.16 115.88 1iou n TYR 132 Ca 0.03 0.31 0.49 0.00 -0.01 0.00 0.00 57.90 58.72 1iou n TYR 132 Cb 0.49 -0.99 0.81 0.00 -0.02 0.00 0.00 39.34 39.63 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 -7.53 -0.72 -0.00 -1.62 -3.40 115.11 101.84 1iou h GLN 133 Ca 0.00 -0.00 -0.46 0.00 -0.00 0.00 0.00 58.65 58.19 1iou h GLN 133 Cb 0.27 -0.00 0.12 0.00 -0.00 0.00 0.00 27.48 27.87 1iou h GLN 133 CO 0.00 0.00 0.33 -0.51 -0.00 0.00 0.00 178.83 178.65 1iou s ASP 134 N -4.19 3.81 0.62 0.06 1.11 -1.20 -4.02 116.67 112.85 1iou s ASP 134 Ca -0.05 0.92 0.29 0.00 0.18 0.00 0.00 52.55 53.89 1iou s ASP 134 Cb 0.26 -1.48 1.54 0.00 1.07 0.00 0.00 42.92 44.32 1iou s ASP 134 CO 0.87 -2.36 1.92 1.55 1.18 0.00 0.00 175.17 178.34 1iou h PRO 135 N -1.36 0.00 0.00 8.23 0.13 -1.89 -3.43 132.00 133.68 1iou h PRO 135 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1iou h PRO 135 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1iou h PRO 135 CO 0.63 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.83 1iou n SER 136 N -3.42 -0.48 0.00 1.44 7.64 -1.26 -4.64 113.62 112.90 1iou n SER 136 Ca 0.04 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.19 1iou n SER 136 Cb 0.53 0.67 0.00 0.00 -1.01 0.00 0.00 64.21 64.40 1iou n SER 136 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1iou n GLN 137 N -2.35 0.00 -2.63 1.43 7.27 -1.26 -3.74 117.38 116.10 1iou n GLN 137 Ca 0.00 0.00 -0.20 0.00 0.07 0.00 0.00 57.00 56.87 1iou n GLN 137 Cb 0.00 -1.92 0.01 0.00 2.41 0.00 0.00 30.24 30.74 1iou n GLN 137 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1iou n ALA 138 N 0.25 -0.70 -3.43 1.69 0.00 -1.26 -2.22 120.51 114.84 1iou n ALA 138 Ca 0.00 0.20 -0.20 0.00 0.00 0.00 0.00 53.44 53.45 1iou n ALA 138 Cb 0.00 -2.75 0.07 0.00 0.00 0.00 0.00 19.45 16.78 1iou n ALA 138 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1iou n ASP 139 N -1.84 -4.79 -0.56 0.00 2.03 -1.25 -5.24 116.55 104.90 1iou n ASP 139 Ca -0.17 -0.51 0.14 0.00 0.52 0.00 0.00 54.79 54.77 1iou n ASP 139 Cb 0.64 -4.61 0.45 0.00 -0.72 0.00 0.00 41.12 36.89 1iou n ASP 139 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28