#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iou s ARG 2 N 0.00 1.28 0.47 0.03 3.00 -1.26 -4.71 118.95 117.76 1iou s ARG 2 Ca 0.00 -1.44 -0.23 0.00 0.00 0.00 0.00 55.73 54.05 1iou s ARG 2 Cb 0.00 0.34 -0.07 0.00 0.00 0.00 0.00 34.95 35.22 1iou s ARG 2 CO 0.00 -0.46 1.24 -1.50 0.00 0.00 0.00 175.30 174.58 1iou s ILE 3 N -4.08 2.76 0.00 1.52 2.07 -1.24 -2.40 121.20 119.83 1iou s ILE 3 Ca 0.30 0.59 0.00 0.00 -1.41 0.00 0.00 60.65 60.13 1iou s ILE 3 Cb 0.04 -3.31 0.00 0.00 0.13 0.00 0.00 42.46 39.32 1iou s ILE 3 CO 0.09 0.01 0.00 -1.22 -1.91 0.00 0.00 174.94 171.91 1iou n TYR 4 N -0.51 0.00 -3.99 3.50 4.01 -1.10 -4.85 117.16 114.23 1iou n TYR 4 Ca 0.07 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.71 1iou n TYR 4 Cb 0.46 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.38 1iou n TYR 4 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1iou s TYR 5 N -1.98 0.30 0.18 -0.72 6.14 -0.45 0.16 117.35 120.98 1iou s TYR 5 Ca 0.00 -0.48 -0.11 0.00 0.64 0.00 0.00 57.07 57.12 1iou s TYR 5 Cb 0.00 -0.21 -0.00 0.00 0.42 0.00 0.00 41.96 42.17 1iou s TYR 5 CO 0.00 -0.16 0.36 0.42 0.64 0.00 0.00 175.55 176.81 1iou s ILE 6 N -1.31 0.05 -4.30 3.14 1.01 0.12 -0.34 121.20 119.57 1iou s ILE 6 Ca -0.14 -1.28 0.00 0.00 0.00 0.00 0.00 60.65 59.23 1iou s ILE 6 Cb -0.09 -1.86 0.00 0.00 0.01 0.00 0.00 42.46 40.52 1iou s ILE 6 CO -0.01 -0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.33 1iou n GLY 7 N -0.26 -0.51 3.34 6.18 0.00 -0.42 0.60 105.19 114.12 1iou n GLY 7 Ca -0.07 -0.97 -0.14 0.00 0.00 0.00 0.00 46.02 44.84 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 -3.22 0.01 -0.09 1.61 1.01 0.30 -1.49 120.40 118.53 1iou s VAL 8 Ca 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 61.98 61.87 1iou s VAL 8 Cb 0.00 -0.65 0.04 0.00 0.00 0.00 0.00 36.38 35.78 1iou s VAL 8 CO 0.00 -0.03 0.20 -0.36 0.00 0.00 0.00 175.10 174.91 1iou s PHE 9 N -0.05 -0.26 -0.26 5.22 0.08 0.11 -0.45 117.98 122.38 1iou s PHE 9 Ca -0.02 0.66 -0.29 0.00 0.12 0.00 0.00 56.93 57.40 1iou s PHE 9 Cb -0.03 -0.01 -0.00 0.00 -0.57 0.00 0.00 43.02 42.40 1iou s PHE 9 CO 0.02 -0.21 1.30 0.50 -0.10 0.00 0.00 175.22 176.73 1iou s ARG 10 N 1.24 4.01 -0.85 0.44 3.00 -1.25 -2.76 118.95 122.78 1iou s ARG 10 Ca -0.09 1.39 -0.24 0.00 -1.00 0.00 0.00 55.73 55.78 1iou s ARG 10 Cb -0.11 -3.85 -0.20 0.00 0.00 0.00 0.00 34.95 30.79 1iou s ARG 10 CO -0.07 -1.00 2.47 0.43 0.00 0.00 0.00 175.30 177.12 1iou n SER 11 N 7.35 0.59 -2.48 -2.12 7.64 -1.26 -2.31 113.62 121.02 1iou n SER 11 Ca 0.15 -0.38 0.00 0.00 1.01 0.00 0.00 58.87 59.64 1iou n SER 11 Cb 0.46 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 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 6.20 0.44 0.00 0.23 0.00 -0.82 -4.96 105.19 106.28 1iou n GLY 12 Ca 0.57 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 4.44 0.15 0.20 -0.02 0.00 -1.26 -4.69 105.19 104.01 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 5.08 -1.98 -3.47 114.58 115.82 1iou h GLU 14 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1iou h GLU 14 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1iou h GLU 14 CO 0.00 0.34 -0.01 0.36 -1.00 0.00 0.00 179.01 178.70 1iou n LYS 15 N -3.57 0.32 -1.40 2.33 0.00 -1.26 -5.03 118.16 109.55 1iou n LYS 15 Ca -0.00 -1.02 -0.16 0.00 -0.00 0.00 0.00 58.31 57.13 1iou n LYS 15 Cb 0.47 1.05 0.10 0.00 -0.00 0.00 0.00 35.03 36.65 1iou n LYS 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1iou n ALA 16 N -2.10 -0.45 -2.35 0.58 0.00 -1.14 -1.95 120.51 113.11 1iou n ALA 16 Ca -0.06 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.31 1iou n ALA 16 Cb 0.23 0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.73 1iou n ALA 16 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1iou n LEU 17 N 0.00 0.00 -2.73 0.00 7.94 -0.98 -4.61 117.00 116.62 1iou n LEU 17 Ca 0.10 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.94 1iou n LEU 17 Cb 0.34 0.00 0.04 0.00 0.53 0.00 0.00 43.42 44.34 1iou n LEU 17 CO 0.24 0.00 -0.03 1.21 -1.11 0.00 0.00 177.39 177.70 1iou n GLU 18 N 0.00 1.37 0.00 1.96 2.13 -1.26 -4.65 120.64 120.20 1iou n GLU 18 Ca 0.00 -3.23 0.00 0.00 0.66 0.00 0.00 57.16 54.59 1iou n GLU 18 Cb 0.00 -1.28 0.00 0.00 0.27 0.00 0.00 31.44 30.43 1iou n GLU 18 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1iou n LEU 19 N -0.33 0.00 -3.67 4.31 4.77 0.40 -2.92 117.00 119.56 1iou n LEU 19 Ca 0.07 0.50 -0.29 0.00 -0.03 0.00 0.00 56.01 56.26 1iou n LEU 19 Cb 0.82 -0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.75 1iou n LEU 19 CO 0.17 -0.00 -0.34 -0.44 -1.33 0.00 0.00 177.39 175.45 1iou s SER 20 N -2.98 3.53 -0.23 -1.43 0.01 -0.65 -0.17 113.70 111.77 1iou s SER 20 Ca 0.00 -1.28 -0.08 0.00 1.31 0.00 0.00 55.95 55.90 1iou s SER 20 Cb 0.00 -0.61 -0.04 0.00 0.21 0.00 0.00 66.02 65.58 1iou s SER 20 CO 0.00 -0.39 0.09 -1.83 0.41 0.00 0.00 173.24 171.52 1iou s GLU 21 N 1.85 3.86 -0.02 12.44 -1.05 -1.26 0.11 118.70 134.62 1iou s GLU 21 Ca 0.07 -0.39 0.08 0.00 -0.15 0.00 0.00 54.97 54.58 1iou s GLU 21 Cb -0.17 -3.36 -0.02 0.00 -0.44 0.00 0.00 34.13 30.15 1iou s GLU 21 CO -0.24 0.00 -0.25 0.54 0.95 0.00 0.00 175.26 176.26 1iou s VAL 22 N 1.13 2.00 0.27 1.83 0.11 0.20 -4.74 120.40 121.20 1iou s VAL 22 Ca 0.05 -1.08 0.09 0.00 -2.93 0.00 0.00 61.98 58.11 1iou s VAL 22 Cb -0.14 -1.66 -0.05 0.00 -1.53 0.00 0.00 36.38 33.00 1iou s VAL 22 CO 0.04 0.56 -0.12 -0.54 -3.33 0.00 0.00 175.10 171.71 1iou s LYS 23 N -0.56 1.57 -0.23 1.54 3.01 -1.26 -0.70 119.74 123.11 1iou s LYS 23 Ca 0.09 -1.76 -0.02 0.00 -1.01 0.00 0.00 55.97 53.27 1iou s LYS 23 Cb -0.10 -1.39 0.07 0.00 -1.01 0.00 0.00 37.83 35.40 1iou s LYS 23 CO -0.01 0.16 0.04 0.34 0.51 0.00 0.00 175.35 176.40 1iou s ASP 24 N -3.45 3.38 -0.87 2.83 2.15 0.41 -4.94 116.67 116.18 1iou s ASP 24 Ca 0.28 -1.11 0.01 0.00 0.43 0.00 0.00 52.55 52.16 1iou s ASP 24 Cb 0.00 -0.76 0.28 0.00 -0.30 0.00 0.00 42.92 42.15 1iou s ASP 24 CO 0.12 -0.33 1.15 0.18 -0.17 0.00 0.00 175.17 176.12 1iou n LEU 25 N 4.94 5.21 0.00 -1.34 7.99 -1.26 -4.74 117.00 127.80 1iou n LEU 25 Ca -0.07 -5.34 0.00 0.00 -0.01 0.00 0.00 56.01 50.59 1iou n LEU 25 Cb 0.45 -0.98 0.00 0.00 -0.11 0.00 0.00 43.42 42.78 1iou n LEU 25 CO 0.13 1.88 0.06 -0.24 -1.51 0.00 0.00 177.39 177.71 1iou n SER 26 N 1.04 0.00 0.17 -1.43 2.88 -1.26 -4.16 113.62 110.86 1iou n SER 26 Ca 0.28 0.12 0.13 0.00 -1.33 0.00 0.00 58.87 58.08 1iou n SER 26 Cb 0.37 0.00 0.46 0.00 -0.75 0.00 0.00 64.21 64.29 1iou n SER 26 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1iou h GLN 27 N 0.00 0.00 -6.37 -1.46 4.20 -2.03 -3.44 115.11 106.01 1iou h GLN 27 Ca 0.00 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.17 1iou h GLN 27 Cb 0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1iou h GLN 27 CO 0.00 0.00 0.77 -0.06 -0.67 0.00 0.00 178.83 178.87 1iou s PHE 28 N -3.32 3.02 0.00 2.96 0.40 -1.26 -4.45 117.98 115.33 1iou s PHE 28 Ca 0.06 0.98 0.00 0.00 -0.60 0.00 0.00 56.93 57.37 1iou s PHE 28 Cb 0.09 -3.57 0.00 0.00 0.51 0.00 0.00 43.02 40.05 1iou s PHE 28 CO 0.52 -2.02 0.00 0.41 0.70 0.00 0.00 175.22 174.83 1iou n GLY 29 N 3.52 0.00 1.56 4.36 0.00 -1.26 -4.61 105.19 108.76 1iou n GLY 29 Ca 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 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 0.51 -0.48 1.61 -1.74 -1.26 -4.57 117.46 111.53 1iou n PHE 30 Ca 0.00 -1.22 0.00 0.00 -0.56 0.00 0.00 57.45 55.67 1iou n PHE 30 Cb 0.00 -0.60 0.00 0.00 1.52 0.00 0.00 39.48 40.40 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 0.97 0.00 -0.03 2.97 3.72 -1.26 -4.90 117.46 118.92 1iou n PHE 31 Ca 0.10 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.48 1iou n PHE 31 Cb 0.55 -0.02 -0.07 0.00 -0.94 0.00 0.00 39.48 39.01 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 -2.48 2.15 -0.26 -1.08 0.28 -1.26 -4.63 120.64 113.36 1iou n GLU 32 Ca 0.00 -0.02 0.07 0.00 -0.16 0.00 0.00 57.16 57.05 1iou n GLU 32 Cb 0.00 -1.21 0.20 0.00 1.43 0.00 0.00 31.44 31.87 1iou n GLU 32 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 1iou h ARG 33 N 0.00 0.22 0.00 3.44 2.43 -1.84 0.35 114.38 118.97 1iou h ARG 33 Ca -0.17 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.00 1iou h ARG 33 Cb 1.26 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.75 1iou h ARG 33 CO 0.01 0.15 -0.07 1.03 -1.51 0.00 0.00 179.97 179.58 1iou h SER 34 N 0.23 -0.20 -0.53 -3.80 0.87 -1.95 0.25 113.55 108.42 1iou h SER 34 Ca 0.45 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 61.02 1iou h SER 34 Cb 0.81 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.83 1iou h SER 34 CO -0.57 -0.10 0.25 0.28 -0.53 0.00 0.00 176.83 176.16 1iou h SER 35 N -0.12 0.70 -0.06 6.23 0.02 -1.35 -2.61 113.55 116.36 1iou h SER 35 Ca 0.03 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1iou h SER 35 Cb 0.15 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.51 1iou h SER 35 CO -0.07 0.64 0.02 0.58 -1.14 0.00 0.00 176.83 176.86 1iou h VAL 36 N 0.72 1.13 -0.42 2.27 2.07 -0.12 -1.44 116.25 120.46 1iou h VAL 36 Ca 0.18 -0.38 0.08 0.00 0.82 0.00 0.00 66.70 67.41 1iou h VAL 36 Cb 0.12 1.28 -0.09 0.00 -1.52 0.00 0.00 31.29 31.08 1iou h VAL 36 CO -0.02 0.11 -0.28 1.23 0.02 0.00 0.00 177.57 178.62 1iou h GLY 37 N -0.05 -0.11 1.64 2.17 0.00 -0.38 1.07 103.07 107.40 1iou h GLY 37 Ca 0.02 0.36 0.05 0.00 0.00 0.00 0.00 47.33 47.76 1iou h GLY 37 CO -0.00 -0.21 0.14 1.46 0.00 0.00 0.00 176.54 177.93 1iou h GLN 38 N -0.21 0.06 -0.24 4.80 4.20 -1.37 -0.39 115.11 121.96 1iou h GLN 38 Ca 0.19 -0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.83 1iou h GLN 38 Cb 0.51 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 1iou h GLN 38 CO -0.54 0.04 -0.11 0.35 -0.67 0.00 0.00 178.83 177.90 1iou h PHE 39 N 0.06 0.58 0.55 2.96 3.57 0.19 -0.83 116.94 124.02 1iou h PHE 39 Ca 0.09 -0.14 -0.03 0.00 3.53 0.00 0.00 57.97 61.42 1iou h PHE 39 Cb 0.29 -0.13 0.01 0.00 2.79 0.00 0.00 35.95 38.90 1iou h PHE 39 CO -0.00 0.76 -0.26 0.52 -2.23 0.00 0.00 178.31 177.10 1iou h MET 40 N 0.22 -0.71 0.82 1.11 2.86 0.18 -2.22 114.93 117.19 1iou h MET 40 Ca 0.06 0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.71 1iou h MET 40 Cb 0.61 0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.43 1iou h MET 40 CO 0.03 -0.42 -0.49 1.15 1.06 0.00 0.00 176.91 178.25 1iou h THR 41 N -0.89 0.00 -0.96 2.22 2.02 -1.21 0.47 112.91 114.55 1iou h THR 41 Ca -0.08 0.00 0.31 0.00 0.77 0.00 0.00 66.41 67.41 1iou h THR 41 Cb 0.62 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.87 1iou h THR 41 CO 0.12 0.00 0.34 0.15 0.37 0.00 0.00 175.52 176.50 1iou h PHE 42 N -1.22 0.50 -0.20 3.16 3.57 -1.23 1.32 116.94 122.84 1iou h PHE 42 Ca -0.11 0.05 -0.20 0.00 3.53 0.00 0.00 57.97 61.24 1iou h PHE 42 Cb 0.97 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.65 1iou h PHE 42 CO -0.09 -0.32 -0.67 0.35 -2.23 0.00 0.00 178.31 175.35 1iou h PHE 43 N 0.14 1.02 -0.70 0.41 3.57 -1.03 -1.86 116.94 118.49 1iou h PHE 43 Ca 0.68 -0.41 -0.04 0.00 3.53 0.00 0.00 57.97 61.72 1iou h PHE 43 Cb 1.54 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 40.08 1iou h PHE 43 CO -0.20 1.23 0.27 0.00 -2.23 0.00 0.00 178.31 177.38 1iou h ALA 44 N 0.67 0.91 -0.13 2.41 0.00 0.62 -0.16 119.26 123.58 1iou h ALA 44 Ca -0.02 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 1iou h ALA 44 Cb 1.28 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1iou h ALA 44 CO 0.14 0.55 -0.47 1.05 0.00 0.00 0.00 179.25 180.52 1iou h GLU 45 N 1.01 0.32 0.15 0.00 4.11 0.56 -2.78 114.58 117.95 1iou h GLU 45 Ca 0.23 -0.17 -0.01 0.00 0.07 0.00 0.00 59.36 59.48 1iou h GLU 45 Cb 0.23 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1iou h GLU 45 CO -0.02 0.72 -0.07 1.15 0.07 0.00 0.00 179.01 180.86 1iou h THR 46 N 0.26 0.97 0.12 -1.06 2.02 -0.79 -0.80 112.91 113.63 1iou h THR 46 Ca 0.02 -0.57 0.01 0.00 0.77 0.00 0.00 66.41 66.63 1iou h THR 46 Cb 0.92 1.32 -0.04 0.00 -1.74 0.00 0.00 68.15 68.62 1iou h THR 46 CO 0.08 0.13 -0.43 -0.37 0.37 0.00 0.00 175.52 175.30 1iou h VAL 47 N -0.48 0.00 -0.50 3.16 -1.51 -0.99 1.82 116.25 117.76 1iou h VAL 47 Ca -0.02 0.00 0.14 0.00 -1.23 0.00 0.00 66.70 65.59 1iou h VAL 47 Cb 0.37 0.00 -0.02 0.00 -2.13 0.00 0.00 31.29 29.51 1iou h VAL 47 CO 0.03 0.00 0.37 0.00 -1.23 0.00 0.00 177.57 176.74 1iou h ALA 48 N -0.75 2.45 -0.21 5.19 0.00 -1.56 1.32 119.26 125.69 1iou h ALA 48 Ca -0.01 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1iou h ALA 48 Cb 0.63 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1iou h ALA 48 CO -0.22 -0.62 -0.41 1.03 0.00 0.00 0.00 179.25 179.03 1iou h SER 49 N 0.00 0.73 0.60 0.00 0.87 0.80 -2.78 113.55 113.76 1iou h SER 49 Ca 0.24 -0.54 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 1iou h SER 49 Cb 0.96 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 1iou h SER 49 CO -0.00 1.13 -0.04 -2.11 -0.53 0.00 0.00 176.83 175.28 1iou n ARG 50 N -4.22 0.39 -3.22 2.24 1.85 0.59 -4.60 116.66 109.69 1iou n ARG 50 Ca -0.06 -0.04 -0.43 0.00 -1.00 0.00 0.00 57.85 56.32 1iou n ARG 50 Cb 0.54 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 30.38 1iou n ARG 50 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1iou s THR 51 N -2.63 4.96 -0.00 8.89 2.01 0.42 -4.94 115.64 124.34 1iou s THR 51 Ca 0.26 -0.41 0.00 0.00 0.31 0.00 0.00 61.69 61.85 1iou s THR 51 Cb 0.20 -4.19 0.00 0.00 0.01 0.00 0.00 72.50 68.52 1iou s THR 51 CO 0.48 -0.64 1.53 0.61 -0.69 0.00 0.00 174.62 175.91 1iou n GLY 52 N 5.14 2.29 1.67 4.40 0.00 -1.26 -4.84 105.19 112.58 1iou n GLY 52 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 1.01 -1.94 -0.96 4.61 0.00 -1.26 -4.73 120.51 117.24 1iou n ALA 53 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1iou n ALA 53 Cb 0.51 -1.44 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 -1.45 0.71 3.41 0.00 0.00 -1.16 -4.98 105.19 101.72 1iou n GLY 54 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.18 1.74 0.09 1.61 2.02 -1.26 -4.96 118.70 117.77 1iou s GLU 55 Ca 0.00 -2.02 0.06 0.00 0.02 0.00 0.00 54.97 53.03 1iou s GLU 55 Cb 0.00 -0.33 -0.03 0.00 0.10 0.00 0.00 34.13 33.87 1iou s GLU 55 CO 0.00 -0.45 -0.16 1.03 0.02 0.00 0.00 175.26 175.70 1iou s ARG 56 N -3.75 0.95 0.22 1.61 0.52 -1.26 -1.48 118.95 115.76 1iou s ARG 56 Ca 0.32 -1.09 0.04 0.00 -0.52 0.00 0.00 55.73 54.47 1iou s ARG 56 Cb 0.04 -0.99 -0.05 0.00 0.52 0.00 0.00 34.95 34.47 1iou s ARG 56 CO 0.17 0.22 -0.01 -0.65 0.02 0.00 0.00 175.30 175.04 1iou s GLN 57 N -2.04 1.29 -0.28 3.54 -1.52 -0.81 -4.93 119.66 114.90 1iou s GLN 57 Ca 0.03 -1.64 0.01 0.00 -1.95 0.00 0.00 55.36 51.81 1iou s GLN 57 Cb -0.09 -0.59 0.16 0.00 -0.22 0.00 0.00 33.01 32.27 1iou s GLN 57 CO 0.03 -0.08 0.40 0.45 -0.25 0.00 0.00 175.29 175.85 1iou s SER 58 N -3.28 0.36 -0.48 5.90 0.15 -1.25 0.15 113.70 115.25 1iou s SER 58 Ca 0.27 -0.27 -0.19 0.00 0.70 0.00 0.00 55.95 56.46 1iou s SER 58 Cb 0.05 1.11 0.05 0.00 -1.71 0.00 0.00 66.02 65.52 1iou s SER 58 CO 0.07 -0.34 0.59 0.27 1.20 0.00 0.00 173.24 175.03 1iou s ILE 59 N 2.55 4.92 -0.46 6.45 -4.36 -0.70 -4.79 121.20 124.80 1iou s ILE 59 Ca 0.10 -0.41 -0.21 0.00 -0.26 0.00 0.00 60.65 59.87 1iou s ILE 59 Cb -0.13 -4.24 0.03 0.00 1.25 0.00 0.00 42.46 39.37 1iou s ILE 59 CO -0.28 -0.71 0.68 -1.83 0.24 0.00 0.00 174.94 173.04 1iou s GLU 60 N 2.54 3.27 0.45 0.37 -1.05 -1.26 0.76 118.70 123.77 1iou s GLU 60 Ca 0.15 -0.43 0.07 0.00 -0.15 0.00 0.00 54.97 54.62 1iou s GLU 60 Cb -0.18 -3.98 -0.00 0.00 -0.44 0.00 0.00 34.13 29.52 1iou s GLU 60 CO 0.13 -1.10 0.40 -1.21 0.95 0.00 0.00 175.26 174.43 1iou s GLU 61 N 2.93 2.44 -0.66 -4.83 0.41 0.85 -4.99 118.70 114.86 1iou s GLU 61 Ca 0.23 -1.66 -0.06 0.00 -0.41 0.00 0.00 54.97 53.06 1iou s GLU 61 Cb -0.15 -2.31 -0.14 0.00 -1.78 0.00 0.00 34.13 29.75 1iou s GLU 61 CO 0.18 -0.32 2.77 0.41 -0.49 0.00 0.00 175.26 177.81 1iou n GLY 62 N -1.62 3.16 0.00 -1.39 0.00 -1.26 -2.97 105.19 101.11 1iou n GLY 62 Ca 0.03 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1iou n GLY 62 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1iou n ASN 63 N 3.25 0.00 -2.58 1.61 2.85 -1.26 -5.16 115.26 113.97 1iou n ASN 63 Ca 0.49 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 54.93 1iou n ASN 63 Cb 0.45 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.49 1iou n ASN 63 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1iou n TYR 64 N -0.42 -1.27 -4.03 1.20 0.18 -1.16 -4.73 117.16 106.94 1iou n TYR 64 Ca 0.00 -0.97 -0.22 0.00 1.88 0.00 0.00 57.90 58.59 1iou n TYR 64 Cb 0.00 0.48 -0.05 0.00 -0.38 0.00 0.00 39.34 39.39 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 -2.23 3.80 -0.46 -3.48 1.01 0.50 -0.11 121.20 120.24 1iou s ILE 65 Ca 0.16 -1.50 0.06 0.00 0.00 0.00 0.00 60.65 59.36 1iou s ILE 65 Cb -0.02 -3.19 0.21 0.00 0.01 0.00 0.00 42.46 39.46 1iou s ILE 65 CO 0.05 -0.27 0.48 0.61 0.00 0.00 0.00 174.94 175.80 1iou n GLY 66 N -1.20 2.91 3.56 6.18 0.00 0.23 -0.64 105.19 116.23 1iou n GLY 66 Ca -0.05 -1.70 -0.31 0.00 0.00 0.00 0.00 46.02 43.96 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 1.94 -0.09 -3.71 1.61 8.25 0.63 -1.72 115.22 122.13 1iou n HIS 67 Ca 0.25 0.31 -0.14 0.00 -0.26 0.00 0.00 57.72 57.88 1iou n HIS 67 Cb 0.48 -1.90 -0.09 0.00 1.12 0.00 0.00 29.99 29.60 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 -2.54 0.02 -0.15 1.59 1.01 0.40 -0.59 120.40 120.15 1iou s VAL 68 Ca 0.63 -0.20 -0.04 0.00 0.00 0.00 0.00 61.98 62.38 1iou s VAL 68 Cb -0.22 -0.67 0.07 0.00 0.00 0.00 0.00 36.38 35.56 1iou s VAL 68 CO 0.62 -0.11 0.22 -0.31 0.00 0.00 0.00 175.10 175.52 1iou s TYR 69 N -0.62 -0.30 -0.00 5.22 2.02 -0.94 -1.93 117.35 120.81 1iou s TYR 69 Ca -0.07 0.55 0.01 0.00 -0.37 0.00 0.00 57.07 57.19 1iou s TYR 69 Cb -0.04 -0.24 -0.04 0.00 -0.40 0.00 0.00 41.96 41.25 1iou s TYR 69 CO 0.03 -0.44 0.01 0.00 -1.57 0.00 0.00 175.55 173.58 1iou s ALA 70 N 2.35 3.30 0.48 3.71 0.00 -0.55 -1.94 121.76 129.11 1iou s ALA 70 Ca 0.04 -0.95 0.08 0.00 0.00 0.00 0.00 51.96 51.13 1iou s ALA 70 Cb -0.14 -1.35 0.04 0.00 0.00 0.00 0.00 23.12 21.67 1iou s ALA 70 CO -0.09 0.65 0.66 1.03 0.00 0.00 0.00 175.76 178.00 1iou s ARG 71 N -1.58 2.63 -0.47 0.00 1.81 -1.26 -4.04 118.95 116.04 1iou s ARG 71 Ca 0.20 -1.30 -0.01 0.00 -1.72 0.00 0.00 55.73 52.89 1iou s ARG 71 Cb -0.12 -2.70 0.32 0.00 -0.45 0.00 0.00 34.95 32.01 1iou s ARG 71 CO 0.11 -0.50 2.02 0.45 -0.68 0.00 0.00 175.30 176.70 1iou n SER 72 N -2.02 6.98 0.02 0.23 2.88 -1.26 -2.96 113.62 117.48 1iou n SER 72 Ca 0.10 -3.38 -0.02 0.00 -1.33 0.00 0.00 58.87 54.24 1iou n SER 72 Cb 0.60 -1.02 -0.01 0.00 -0.75 0.00 0.00 64.21 63.03 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 -0.21 0.09 0.00 -1.46 4.71 -1.26 -5.07 120.64 117.44 1iou n GLU 73 Ca 0.44 0.04 0.00 0.00 -0.01 0.00 0.00 57.16 57.63 1iou n GLU 73 Cb 0.62 -0.66 0.00 0.00 -1.01 0.00 0.00 31.44 30.39 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 3.09 0.24 3.21 0.62 0.00 -1.26 -4.83 105.19 106.25 1iou n GLY 74 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 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 2.70 0.35 -0.61 -0.00 -1.26 -4.20 121.20 118.18 1iou s ILE 75 Ca 0.00 -0.73 0.04 0.00 -0.00 0.00 0.00 60.65 59.97 1iou s ILE 75 Cb 0.00 -2.19 -0.01 0.00 -0.00 0.00 0.00 42.46 40.25 1iou s ILE 75 CO 0.00 0.48 0.51 0.00 -0.00 0.00 0.00 174.94 175.92 1iou s GLY 77 N -4.15 1.69 0.09 0.00 0.00 -0.82 0.08 107.32 104.21 1iou s GLY 77 Ca 0.44 -1.81 0.09 0.00 0.00 0.00 0.00 44.72 43.44 1iou s GLY 77 CO 0.33 -1.82 -0.24 0.14 0.00 0.00 0.00 173.10 171.51 1iou s VAL 78 N -2.95 1.94 -0.29 1.40 1.01 -0.56 -2.21 120.40 118.75 1iou s VAL 78 Ca 0.27 -1.50 -0.02 0.00 0.00 0.00 0.00 61.98 60.72 1iou s VAL 78 Cb 0.01 -1.71 0.10 0.00 0.00 0.00 0.00 36.38 34.77 1iou s VAL 78 CO 0.10 0.12 0.10 -0.22 0.00 0.00 0.00 175.10 175.21 1iou s LEU 79 N -1.67 1.54 -0.27 3.92 0.20 0.25 -1.30 118.68 121.36 1iou s LEU 79 Ca 0.10 -1.43 -0.07 0.00 0.69 0.00 0.00 54.13 53.42 1iou s LEU 79 Cb -0.10 -0.66 -0.02 0.00 -0.43 0.00 0.00 46.19 44.99 1iou s LEU 79 CO 0.04 -0.41 0.08 0.27 -0.29 0.00 0.00 176.35 176.04 1iou s ILE 80 N 1.81 4.27 0.08 6.68 -4.36 0.53 0.23 121.20 130.45 1iou s ILE 80 Ca 0.08 -0.31 0.02 0.00 -0.26 0.00 0.00 60.65 60.18 1iou s ILE 80 Cb -0.17 -3.06 -0.01 0.00 1.25 0.00 0.00 42.46 40.48 1iou s ILE 80 CO -0.27 0.25 0.07 1.07 0.24 0.00 0.00 174.94 176.30 1iou n THR 81 N 4.92 0.00 -2.30 8.37 5.66 0.19 -1.35 114.28 129.77 1iou n THR 81 Ca -0.16 -0.61 -0.28 0.00 -3.05 0.00 0.00 64.05 59.95 1iou n THR 81 Cb 0.50 0.31 0.03 0.00 -1.55 0.00 0.00 70.33 69.62 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 -1.59 5.67 0.45 1.09 -1.08 -1.01 0.19 116.67 120.39 1iou s ASP 82 Ca 0.10 0.85 0.14 0.00 -0.52 0.00 0.00 52.55 53.12 1iou s ASP 82 Cb 0.00 -1.85 1.06 0.00 -1.46 0.00 0.00 42.92 40.67 1iou s ASP 82 CO 0.07 -1.05 2.01 0.50 0.52 0.00 0.00 175.17 177.22 1iou h LYS 83 N -0.23 0.35 -1.96 4.34 3.11 -1.86 -2.18 116.57 118.15 1iou h LYS 83 Ca -0.45 -0.02 -0.40 0.00 -2.81 0.00 0.00 60.65 56.97 1iou h LYS 83 Cb 1.25 -0.08 -0.14 0.00 -1.00 0.00 0.00 32.23 32.25 1iou h LYS 83 CO 0.61 0.23 0.19 1.04 -2.81 0.00 0.00 179.45 178.72 1iou n GLN 84 N -4.47 2.22 -3.46 1.90 3.00 -1.26 -4.63 117.38 110.68 1iou n GLN 84 Ca 0.08 -1.89 -0.28 0.00 -0.01 0.00 0.00 57.00 54.89 1iou n GLN 84 Cb 0.32 -2.04 -0.11 0.00 0.00 0.00 0.00 30.24 28.41 1iou n GLN 84 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.06 176.59 1iou s TYR 85 N -1.02 0.91 0.37 1.08 6.14 -0.82 -4.67 117.35 119.33 1iou s TYR 85 Ca 0.57 -1.88 -0.20 0.00 0.64 0.00 0.00 57.07 56.20 1iou s TYR 85 Cb 0.35 -0.98 -0.15 0.00 0.42 0.00 0.00 41.96 41.60 1iou s TYR 85 CO -0.14 -0.82 0.10 -2.30 0.64 0.00 0.00 175.55 173.02 1iou n PRO 86 N 3.66 0.00 0.07 4.97 -0.02 -1.26 -4.89 135.00 137.53 1iou n PRO 86 Ca 0.17 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.59 1iou n PRO 86 Cb 0.40 -0.93 -0.08 0.00 -0.02 0.00 0.00 33.50 32.88 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 0.33 1.67 -0.49 -1.45 2.07 -1.96 -3.32 116.25 113.10 1iou h VAL 87 Ca -0.34 -3.21 0.10 0.00 0.82 0.00 0.00 66.70 64.06 1iou h VAL 87 Cb 1.34 2.74 -0.10 0.00 -1.52 0.00 0.00 31.29 33.75 1iou h VAL 87 CO 0.44 0.92 -0.27 0.03 0.02 0.00 0.00 177.57 178.71 1iou h ARG 88 N 0.00 -0.15 0.00 1.57 2.47 -1.95 0.82 114.38 117.13 1iou h ARG 88 Ca -0.01 0.01 -0.09 0.00 -1.26 0.00 0.00 59.98 58.63 1iou h ARG 88 Cb 1.67 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 30.01 1iou h ARG 88 CO 0.12 -0.10 -0.41 -1.35 0.56 0.00 0.00 179.97 178.79 1iou h PRO 89 N -0.16 0.00 -0.09 0.04 0.11 -1.85 -1.39 132.00 128.67 1iou h PRO 89 Ca 0.22 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.25 1iou h PRO 89 Cb 0.51 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 1iou h PRO 89 CO -0.58 0.41 -0.30 0.00 -0.21 0.00 0.00 178.00 177.32 1iou h ALA 90 N 1.59 1.33 -0.33 -0.75 0.00 -0.80 -0.29 119.26 120.01 1iou h ALA 90 Ca -0.00 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 1iou h ALA 90 Cb 0.75 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1iou h ALA 90 CO 0.05 0.47 -0.06 1.88 0.00 0.00 0.00 179.25 181.59 1iou h TYR 91 N 0.15 0.70 -0.99 0.00 0.05 0.16 -1.75 116.97 115.27 1iou h TYR 91 Ca 0.02 -0.14 0.05 0.00 0.05 0.00 0.00 58.73 58.70 1iou h TYR 91 Cb 0.61 -0.17 -0.06 0.00 1.01 0.00 0.00 36.73 38.12 1iou h TYR 91 CO 0.01 0.78 0.65 1.15 -1.05 0.00 0.00 178.16 179.69 1iou h THR 92 N 0.41 1.14 0.56 -2.88 2.02 -0.70 -1.39 112.91 112.08 1iou h THR 92 Ca 0.09 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 1iou h THR 92 Cb 0.54 -0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 66.76 1iou h THR 92 CO 0.03 0.22 -0.34 0.25 0.37 0.00 0.00 175.52 176.05 1iou h LEU 93 N 1.23 -0.85 -2.21 2.58 6.46 -0.69 0.76 115.31 122.59 1iou h LEU 93 Ca 0.41 0.05 0.02 0.00 -0.12 0.00 0.00 57.88 58.24 1iou h LEU 93 Cb 0.05 0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 40.23 1iou h LEU 93 CO -0.14 -0.54 0.27 0.17 -0.62 0.00 0.00 178.44 177.58 1iou h LEU 94 N -0.85 0.00 0.02 2.25 8.10 -0.95 0.39 115.31 124.27 1iou h LEU 94 Ca -0.07 0.00 -0.22 0.00 0.11 0.00 0.00 57.88 57.70 1iou h LEU 94 Cb 0.69 0.00 0.02 0.00 -0.44 0.00 0.00 40.66 40.93 1iou h LEU 94 CO 0.07 0.00 -0.87 -1.13 -4.11 0.00 0.00 178.44 172.40 1iou h ASN 95 N 0.00 0.73 0.13 0.17 -1.24 0.19 -1.94 115.58 113.62 1iou h ASN 95 Ca 0.04 -0.77 -0.18 0.00 0.71 0.00 0.00 56.30 56.11 1iou h ASN 95 Cb 0.58 -0.23 0.02 0.00 0.73 0.00 0.00 38.32 39.42 1iou h ASN 95 CO -0.00 1.41 -0.80 0.11 -1.29 0.00 0.00 177.43 176.86 1iou h LYS 96 N 0.14 0.27 0.84 6.67 6.56 0.77 -2.22 116.57 129.60 1iou h LYS 96 Ca -0.11 -0.46 -0.04 0.00 -1.06 0.00 0.00 60.65 58.97 1iou h LYS 96 Cb 1.56 0.17 0.01 0.00 -0.57 0.00 0.00 32.23 33.39 1iou h LYS 96 CO 0.17 1.22 -0.43 0.82 -2.06 0.00 0.00 179.45 179.17 1iou h ILE 97 N -0.42 0.00 -0.75 1.86 2.04 -0.47 1.26 117.51 121.03 1iou h ILE 97 Ca -0.14 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.76 1iou h ILE 97 Cb 1.60 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.63 1iou h ILE 97 CO 0.13 0.00 0.45 -0.07 0.00 0.00 0.00 178.15 178.66 1iou h LEU 98 N -1.17 0.71 -1.75 1.44 3.38 -1.51 1.63 115.31 118.05 1iou h LEU 98 Ca -0.11 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1iou h LEU 98 Cb 0.91 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1iou h LEU 98 CO 0.17 0.47 -0.17 -0.78 0.09 0.00 0.00 178.44 178.22 1iou h ASP 99 N 0.85 0.00 0.87 -0.43 3.58 -1.24 -1.59 116.42 118.46 1iou h ASP 99 Ca 0.32 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.54 1iou h ASP 99 Cb 0.11 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.13 1iou h ASP 99 CO -0.15 0.17 -1.16 -0.08 -2.88 0.00 0.00 179.24 175.14 1iou h GLU 100 N 0.00 0.02 -0.22 0.28 4.57 0.58 -2.92 114.58 116.90 1iou h GLU 100 Ca -0.00 -0.04 -0.10 0.00 -1.18 0.00 0.00 59.36 58.04 1iou h GLU 100 Cb 0.37 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 1iou h GLU 100 CO 0.02 0.92 -0.30 -0.92 -1.18 0.00 0.00 179.01 177.56 1iou h TYR 101 N 0.01 0.49 0.05 0.92 5.03 0.31 -1.19 116.97 122.58 1iou h TYR 101 Ca -0.07 -0.11 -0.24 0.00 2.58 0.00 0.00 58.73 60.89 1iou h TYR 101 Cb 1.83 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 40.00 1iou h TYR 101 CO 0.01 0.69 -1.05 -0.07 -1.32 0.00 0.00 178.16 176.41 1iou h LEU 102 N 0.37 0.45 0.04 2.82 3.38 -1.49 -3.35 115.31 117.54 1iou h LEU 102 Ca 0.05 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 1iou h LEU 102 Cb 0.72 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1iou h LEU 102 CO 0.05 1.24 -0.02 0.58 0.09 0.00 0.00 178.44 180.39 1iou h VAL 103 N 0.15 1.31 0.00 1.22 2.07 -1.33 -3.03 116.25 116.64 1iou h VAL 103 Ca -0.10 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.18 1iou h VAL 103 Cb 1.72 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 33.60 1iou h VAL 103 CO 0.17 0.31 0.66 0.00 0.02 0.00 0.00 177.57 178.74 1iou h ALA 104 N 0.28 1.65 -1.09 1.67 0.00 -1.35 -3.38 119.26 117.04 1iou h ALA 104 Ca -0.01 0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.09 1iou h ALA 104 Cb 0.55 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 18.04 1iou h ALA 104 CO 0.01 -0.65 0.60 -3.38 0.00 0.00 0.00 179.25 175.82 1iou s HIS 105 N -3.98 -0.24 0.66 0.00 0.00 -1.15 -5.12 115.29 105.45 1iou s HIS 105 Ca -0.02 0.47 -0.13 0.00 -3.00 0.00 0.00 55.06 52.39 1iou s HIS 105 Cb 0.04 0.15 -0.11 0.00 -4.00 0.00 0.00 32.58 28.65 1iou s HIS 105 CO 0.13 -0.12 -0.48 -2.30 -1.00 0.00 0.00 174.74 170.97 1iou n PRO 106 N 3.52 0.00 -0.15 -0.38 -0.02 -1.18 -4.46 135.00 132.34 1iou n PRO 106 Ca -0.16 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.19 1iou n PRO 106 Cb 0.56 -0.75 -0.09 0.00 -0.02 0.00 0.00 33.50 33.20 1iou n PRO 106 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1iou h LYS 107 N -0.56 -0.34 0.00 -0.52 2.10 -1.93 -1.67 116.57 113.65 1iou h LYS 107 Ca -0.32 0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.32 1iou h LYS 107 Cb 1.01 0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 32.41 1iou h LYS 107 CO 0.21 -0.23 -0.12 1.05 -2.00 0.00 0.00 179.45 178.36 1iou h GLU 108 N -0.36 0.00 -1.16 0.07 -0.00 -1.97 -1.54 114.58 109.63 1iou h GLU 108 Ca 0.07 0.00 0.33 0.00 -0.00 0.00 0.00 59.36 59.76 1iou h GLU 108 Cb 0.55 0.00 -0.10 0.00 -0.00 0.00 0.00 28.75 29.21 1iou h GLU 108 CO -0.58 0.12 0.77 0.93 -0.00 0.00 0.00 179.01 180.24 1iou h GLU 109 N 0.00 0.23 0.00 1.06 4.39 -1.58 -2.79 114.58 115.90 1iou h GLU 109 Ca -0.00 -0.01 -0.20 0.00 0.34 0.00 0.00 59.36 59.48 1iou h GLU 109 Cb 0.25 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.81 1iou h GLU 109 CO 0.02 0.15 -1.74 -2.67 -1.16 0.00 0.00 179.01 173.60 1iou n TRP 110 N -4.56 0.00 -3.71 4.33 4.27 -1.12 -4.99 117.44 111.66 1iou n TRP 110 Ca 0.29 0.00 -0.07 0.00 -3.89 0.00 0.00 57.50 53.83 1iou n TRP 110 Cb 1.12 -0.50 0.00 0.00 -1.36 0.00 0.00 31.31 30.57 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 -3.00 -1.25 -2.14 -1.67 0.00 -0.59 -1.32 120.51 110.53 1iou n ALA 111 Ca -0.24 -0.09 -0.02 0.00 0.00 0.00 0.00 53.44 53.09 1iou n ALA 111 Cb 0.74 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.82 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 0.43 -4.64 -4.72 0.00 9.92 -1.26 -4.96 116.55 111.32 1iou n ASP 112 Ca -0.02 0.13 -0.42 0.00 -0.53 0.00 0.00 54.79 53.95 1iou n ASP 112 Cb 0.09 -2.96 -0.03 0.00 -0.64 0.00 0.00 41.12 37.58 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 -2.26 3.82 -0.48 2.53 1.01 -0.44 -4.91 120.40 119.68 1iou s VAL 113 Ca 0.06 1.35 0.11 0.00 0.00 0.00 0.00 61.98 63.50 1iou s VAL 113 Cb -0.02 -3.86 0.63 0.00 0.00 0.00 0.00 36.38 33.13 1iou s VAL 113 CO 0.34 0.13 1.46 0.35 0.00 0.00 0.00 175.10 177.38 1iou n THR 114 N 3.66 2.08 -3.15 3.92 -2.24 -1.26 -4.63 114.28 112.65 1iou n THR 114 Ca 0.08 -1.06 0.06 0.00 -2.27 0.00 0.00 64.05 60.86 1iou n THR 114 Cb 0.45 -0.30 -0.02 0.00 -2.10 0.00 0.00 70.33 68.36 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 -2.32 0.06 0.24 -0.78 -1.05 -1.26 -5.06 118.70 108.53 1iou s GLU 115 Ca 0.42 0.12 -0.21 0.00 -0.15 0.00 0.00 54.97 55.14 1iou s GLU 115 Cb 0.32 0.07 0.04 0.00 -0.44 0.00 0.00 34.13 34.11 1iou s GLU 115 CO 0.13 -0.07 0.67 0.99 0.95 0.00 0.00 175.26 177.93 1iou s THR 116 N 2.92 0.00 -0.23 1.83 2.01 -1.26 -5.04 115.64 115.87 1iou s THR 116 Ca -0.08 -0.67 -0.22 0.00 0.31 0.00 0.00 61.69 61.03 1iou s THR 116 Cb -0.08 -1.66 0.06 0.00 0.01 0.00 0.00 72.50 70.83 1iou s THR 116 CO -0.08 -0.01 0.63 0.20 -0.69 0.00 0.00 174.62 174.67 1iou s ASN 117 N -2.86 -0.66 0.58 3.53 0.01 -0.04 -3.86 114.94 111.64 1iou s ASN 117 Ca 0.08 1.25 0.31 0.00 -0.71 0.00 0.00 52.86 53.79 1iou s ASN 117 Cb -0.04 1.27 1.42 0.00 0.41 0.00 0.00 41.25 44.30 1iou s ASN 117 CO 0.00 -0.23 1.77 -2.24 -1.51 0.00 0.00 177.10 174.89 1iou h ASP 118 N 5.08 0.00 -0.44 -1.22 2.03 -0.70 0.26 116.42 121.41 1iou h ASP 118 Ca -0.28 0.00 0.13 0.00 -0.73 0.00 0.00 57.03 56.15 1iou h ASP 118 Cb 1.17 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.65 1iou h ASP 118 CO 0.12 0.00 0.46 0.00 -1.03 0.00 0.00 179.24 178.78 1iou h ALA 119 N 1.29 2.18 0.12 4.15 0.00 -1.92 -2.08 119.26 123.01 1iou h ALA 119 Ca 0.39 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 1iou h ALA 119 Cb 1.85 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1iou h ALA 119 CO -0.00 -0.69 -0.06 1.25 0.00 0.00 0.00 179.25 179.75 1iou h LEU 120 N 0.00 -0.14 0.00 0.00 5.85 -0.83 -3.50 115.31 116.69 1iou h LEU 120 Ca 0.21 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1iou h LEU 120 Cb 1.13 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1iou h LEU 120 CO -0.00 0.43 0.05 0.29 -0.34 0.00 0.00 178.44 178.87 1iou n LYS 121 N -4.87 0.20 -0.41 1.25 4.01 -0.78 -5.01 118.16 112.55 1iou n LYS 121 Ca -0.05 -0.39 0.00 0.00 -0.51 0.00 0.00 58.31 57.36 1iou n LYS 121 Cb 0.17 0.49 0.00 0.00 -0.51 0.00 0.00 35.03 35.18 1iou n LYS 121 CO 0.00 0.00 0.00 -0.12 -1.11 0.00 0.00 177.40 176.17 1iou n MET 122 N -0.10 0.00 0.04 1.97 1.56 -1.26 -4.48 117.12 114.85 1iou n MET 122 Ca -0.02 0.00 0.22 0.00 -0.27 0.00 0.00 57.70 57.63 1iou n MET 122 Cb 0.10 -0.73 0.72 0.00 2.15 0.00 0.00 33.22 35.47 1iou n MET 122 CO 0.00 0.00 0.00 1.57 -0.73 0.00 0.00 175.97 176.81 1iou h LYS 123 N 0.00 0.00 0.20 2.12 2.10 -1.95 -2.18 116.57 116.86 1iou h LYS 123 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1iou h LYS 123 Cb 0.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.54 1iou h LYS 123 CO 0.00 0.00 -0.10 0.37 -2.00 0.00 0.00 179.45 177.72 1iou h GLN 124 N 0.00 -0.26 -1.20 0.07 5.75 -1.98 -0.02 115.11 117.47 1iou h GLN 124 Ca 0.24 0.02 0.34 0.00 -0.15 0.00 0.00 58.65 59.10 1iou h GLN 124 Cb 1.26 0.06 -0.07 0.00 1.07 0.00 0.00 27.48 29.80 1iou h GLN 124 CO -0.00 -0.17 0.83 1.25 -2.65 0.00 0.00 178.83 178.09 1iou h LEU 125 N -0.27 0.15 0.44 -2.39 6.46 -1.77 0.17 115.31 118.10 1iou h LEU 125 Ca -0.03 0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.75 1iou h LEU 125 Cb 0.21 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.16 1iou h LEU 125 CO 0.05 0.01 -0.21 0.44 -0.62 0.00 0.00 178.44 178.10 1iou h ASP 126 N 0.12 -0.50 -0.01 1.25 3.32 -1.23 -2.43 116.42 116.94 1iou h ASP 126 Ca 0.62 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.62 1iou h ASP 126 Cb 2.16 0.13 -0.00 0.00 0.22 0.00 0.00 39.33 41.83 1iou h ASP 126 CO -0.13 -0.07 0.01 0.74 -1.72 0.00 0.00 179.24 178.07 1iou h THR 127 N -1.09 0.83 0.48 0.35 2.02 0.21 -2.14 112.91 113.57 1iou h THR 127 Ca -0.06 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 1iou h THR 127 Cb 0.52 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1iou h THR 127 CO 0.10 0.00 -0.23 1.88 0.37 0.00 0.00 175.52 177.64 1iou h TYR 128 N 0.00 -0.60 -0.39 3.16 -1.99 -0.72 -2.66 116.97 113.78 1iou h TYR 128 Ca 0.01 -0.01 0.11 0.00 2.00 0.00 0.00 58.73 60.84 1iou h TYR 128 Cb 0.03 0.20 -0.02 0.00 2.00 0.00 0.00 36.73 38.94 1iou h TYR 128 CO 0.00 -0.28 0.32 0.97 -0.00 0.00 0.00 178.16 179.17 1iou h ILE 129 N -1.04 0.64 0.72 -2.88 -0.00 -1.20 0.93 117.51 114.69 1iou h ILE 129 Ca -0.07 0.00 -0.04 0.00 -0.00 0.00 0.00 64.86 64.76 1iou h ILE 129 Cb 0.58 0.77 0.01 0.00 -0.00 0.00 0.00 36.82 38.18 1iou h ILE 129 CO 0.11 0.00 -0.35 -1.28 -0.00 0.00 0.00 178.15 176.63 1iou h SER 130 N 0.00 -0.82 1.67 2.19 0.87 -1.25 -3.24 113.55 112.97 1iou h SER 130 Ca 0.19 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1iou h SER 130 Cb 0.82 0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.99 1iou h SER 130 CO -0.00 -0.46 -0.33 0.07 -0.53 0.00 0.00 176.83 175.58 1iou h LYS 131 N -1.22 0.00 0.00 2.24 -0.00 -1.11 -3.26 116.57 113.23 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 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.99 1iou h LYS 131 CO 0.16 0.00 0.00 0.66 -0.00 0.00 0.00 179.45 180.27 1iou n TYR 132 N -2.96 0.53 -0.58 0.07 4.02 0.32 -3.45 117.16 115.11 1iou n TYR 132 Ca 0.03 0.24 0.44 0.00 -0.01 0.00 0.00 57.90 58.60 1iou n TYR 132 Cb 0.54 -0.89 0.68 0.00 -0.02 0.00 0.00 39.34 39.65 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 -2.01 -0.00 -1.66 -0.72 6.02 -1.22 -4.41 117.38 113.36 1iou n GLN 133 Ca 0.01 0.93 -0.30 0.00 -0.01 0.00 0.00 57.00 57.62 1iou n GLN 133 Cb 0.10 -2.11 0.06 0.00 1.02 0.00 0.00 30.24 29.32 1iou n GLN 133 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1iou s ASP 134 N -3.93 5.11 0.53 1.08 1.11 -1.22 -3.63 116.67 115.71 1iou s ASP 134 Ca -0.04 1.36 0.19 0.00 0.18 0.00 0.00 52.55 54.23 1iou s ASP 134 Cb 0.23 -2.17 1.37 0.00 1.07 0.00 0.00 42.92 43.42 1iou s ASP 134 CO 0.75 -1.58 2.17 1.55 1.18 0.00 0.00 175.17 179.23 1iou h PRO 135 N -0.82 0.00 0.00 8.23 0.13 -1.83 -3.36 132.00 134.35 1iou h PRO 135 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1iou h PRO 135 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1iou h PRO 135 CO 0.60 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.80 1iou n SER 136 N -4.41 0.00 0.00 1.44 7.64 -1.26 -4.24 113.62 112.79 1iou n SER 136 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1iou n SER 136 Cb 0.10 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 1iou n SER 136 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1iou n GLN 137 N -1.05 0.00 -2.03 1.43 10.64 -1.26 -4.72 117.38 120.39 1iou n GLN 137 Ca 0.00 0.00 -0.02 0.00 -1.83 0.00 0.00 57.00 55.15 1iou n GLN 137 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1iou n GLN 137 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1iou n ALA 138 N 0.00 -2.56 -3.45 2.61 0.00 -1.26 -4.11 120.51 111.75 1iou n ALA 138 Ca 0.00 0.27 -0.20 0.00 0.00 0.00 0.00 53.44 53.50 1iou n ALA 138 Cb 0.00 -1.07 0.06 0.00 0.00 0.00 0.00 19.45 18.44 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 -0.77 -4.93 0.00 0.00 2.03 -1.26 -5.02 116.55 106.60 1iou n ASP 139 Ca 0.03 -0.79 0.15 0.00 0.52 0.00 0.00 54.79 54.69 1iou n ASP 139 Cb 0.30 -4.56 0.90 0.00 -0.72 0.00 0.00 41.12 37.03 1iou n ASP 139 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28