#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 -2.10 -2.71 3.17 1.74 -1.24 -4.69 116.66 110.83 1iou n ARG 2 Ca 0.00 1.46 -0.26 0.00 -0.77 0.00 0.00 57.85 58.29 1iou n ARG 2 Cb 0.00 -2.53 0.01 0.00 -1.02 0.00 0.00 32.46 28.92 1iou n ARG 2 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1iou s ILE 3 N -2.28 4.23 0.00 0.55 2.07 -1.25 -1.38 121.20 123.14 1iou s ILE 3 Ca 0.00 -0.11 0.00 0.00 -1.41 0.00 0.00 60.65 59.13 1iou s ILE 3 Cb 0.00 -3.61 0.00 0.00 0.13 0.00 0.00 42.46 38.98 1iou s ILE 3 CO 0.00 -0.55 0.00 -1.22 -1.91 0.00 0.00 174.94 171.26 1iou n TYR 4 N -2.29 0.00 -3.63 3.50 4.01 -1.20 -4.82 117.16 112.74 1iou n TYR 4 Ca 0.02 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.64 1iou n TYR 4 Cb 0.57 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.55 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 -1.34 -0.28 0.19 -0.72 6.14 -0.90 0.14 117.35 120.58 1iou s TYR 5 Ca 0.00 0.13 -0.16 0.00 0.64 0.00 0.00 57.07 57.68 1iou s TYR 5 Cb 0.00 0.27 0.02 0.00 0.42 0.00 0.00 41.96 42.67 1iou s TYR 5 CO 0.00 -0.65 0.49 0.42 0.64 0.00 0.00 175.55 176.45 1iou s ILE 6 N -3.07 0.03 -5.00 3.14 1.01 0.32 -1.05 121.20 116.57 1iou s ILE 6 Ca -0.02 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.73 1iou s ILE 6 Cb 0.00 -1.64 0.00 0.00 0.01 0.00 0.00 42.46 40.83 1iou s ILE 6 CO -0.07 -0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.34 1iou n GLY 7 N -0.32 -0.84 3.13 6.18 0.00 -0.53 -0.25 105.19 112.56 1iou n GLY 7 Ca -0.09 -1.37 -0.14 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.79 0.77 -0.24 1.61 1.01 -0.37 -1.08 120.40 119.30 1iou s VAL 8 Ca 0.00 -1.42 -0.09 0.00 0.00 0.00 0.00 61.98 60.47 1iou s VAL 8 Cb 0.00 -1.08 0.11 0.00 0.00 0.00 0.00 36.38 35.41 1iou s VAL 8 CO 0.00 -0.49 0.53 -0.36 0.00 0.00 0.00 175.10 174.78 1iou s PHE 9 N -2.05 -1.04 0.13 5.22 0.40 -0.26 0.79 117.98 121.16 1iou s PHE 9 Ca -0.01 1.89 -0.30 0.00 -0.60 0.00 0.00 56.93 57.91 1iou s PHE 9 Cb -0.05 0.53 -0.06 0.00 0.51 0.00 0.00 43.02 43.95 1iou s PHE 9 CO -0.00 -0.56 1.01 -0.98 0.70 0.00 0.00 175.22 175.39 1iou s ARG 10 N 2.64 4.66 -0.66 0.44 1.04 -0.64 -3.39 118.95 123.04 1iou s ARG 10 Ca -0.04 1.54 -0.26 0.00 -1.04 0.00 0.00 55.73 55.93 1iou s ARG 10 Cb -0.12 -3.35 -0.12 0.00 -2.04 0.00 0.00 34.95 29.33 1iou s ARG 10 CO -0.16 0.16 2.43 0.43 -0.04 0.00 0.00 175.30 178.13 1iou n SER 11 N 2.71 1.76 -1.57 -2.89 7.64 -1.26 -0.91 113.62 119.10 1iou n SER 11 Ca 0.03 -0.75 0.00 0.00 1.01 0.00 0.00 58.87 59.16 1iou n SER 11 Cb 0.48 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.19 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 6.28 0.61 0.00 0.23 0.00 -0.90 -4.89 105.19 106.51 1iou n GLY 12 Ca 0.45 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 4.66 0.30 0.21 -0.02 0.00 -1.26 -4.68 105.19 104.41 1iou n GLY 13 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1iou n GLY 13 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1iou h GLU 14 N 0.00 0.00 0.00 1.61 5.08 -2.01 -3.46 114.58 115.80 1iou h GLU 14 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1iou h GLU 14 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1iou h GLU 14 CO 0.00 0.28 0.14 0.36 -1.00 0.00 0.00 179.01 178.79 1iou n LYS 15 N -3.82 0.69 -2.75 2.33 0.00 -1.26 -5.06 118.16 108.29 1iou n LYS 15 Ca -0.01 -1.47 -0.42 0.00 -0.00 0.00 0.00 58.31 56.41 1iou n LYS 15 Cb 0.37 1.77 -0.03 0.00 -0.00 0.00 0.00 35.03 37.14 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 -1.77 3.20 -0.24 0.58 0.00 -1.17 -2.11 121.76 120.25 1iou s ALA 16 Ca 0.11 0.50 -0.26 0.00 0.00 0.00 0.00 51.96 52.31 1iou s ALA 16 Cb -0.03 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.81 1iou s ALA 16 CO 0.08 -0.17 0.91 -1.17 0.00 0.00 0.00 175.76 175.42 1iou s LEU 17 N 0.75 4.09 -0.49 0.00 0.20 -0.09 -4.82 118.68 118.31 1iou s LEU 17 Ca 0.49 1.16 -0.30 0.00 0.69 0.00 0.00 54.13 56.17 1iou s LEU 17 Cb -0.21 -3.32 -0.11 0.00 -0.43 0.00 0.00 46.19 42.11 1iou s LEU 17 CO 0.27 -0.58 2.36 -0.62 -0.29 0.00 0.00 176.35 177.49 1iou n GLU 18 N 6.14 0.99 0.05 1.98 4.71 -1.26 -1.61 120.64 131.63 1iou n GLU 18 Ca 0.08 0.17 -0.22 0.00 -0.01 0.00 0.00 57.16 57.18 1iou n GLU 18 Cb 0.47 -2.74 -0.15 0.00 -1.01 0.00 0.00 31.44 28.02 1iou n GLU 18 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1iou h LEU 19 N 15.19 0.50 -7.25 -4.62 4.07 0.15 -2.15 115.31 121.20 1iou h LEU 19 Ca -0.24 -0.91 -0.09 0.00 0.08 0.00 0.00 57.88 56.72 1iou h LEU 19 Cb 1.29 -0.16 -0.20 0.00 1.08 0.00 0.00 40.66 42.67 1iou h LEU 19 CO 1.12 1.56 -0.04 -0.94 -1.08 0.00 0.00 178.44 179.06 1iou s SER 20 N -7.11 -0.43 -0.14 -0.43 1.04 0.77 0.32 113.70 107.71 1iou s SER 20 Ca -0.16 0.42 -0.04 0.00 0.48 0.00 0.00 55.95 56.65 1iou s SER 20 Cb 0.03 0.44 0.06 0.00 0.10 0.00 0.00 66.02 66.65 1iou s SER 20 CO 0.83 -0.52 0.13 -1.61 0.98 0.00 0.00 173.24 173.05 1iou s GLU 21 N -1.23 0.07 -0.08 4.02 8.01 -1.26 -1.24 118.70 126.99 1iou s GLU 21 Ca -0.12 0.18 0.05 0.00 0.01 0.00 0.00 54.97 55.09 1iou s GLU 21 Cb -0.03 -1.19 -0.00 0.00 -4.31 0.00 0.00 34.13 28.60 1iou s GLU 21 CO 0.07 -0.55 -0.24 0.54 0.01 0.00 0.00 175.26 175.09 1iou s VAL 22 N 2.22 2.01 0.36 2.63 0.11 0.65 -4.77 120.40 123.61 1iou s VAL 22 Ca 0.04 -1.02 0.08 0.00 -2.93 0.00 0.00 61.98 58.15 1iou s VAL 22 Cb -0.15 -1.73 -0.05 0.00 -1.53 0.00 0.00 36.38 32.93 1iou s VAL 22 CO -0.08 0.55 0.08 -0.54 -3.33 0.00 0.00 175.10 171.78 1iou s LYS 23 N 0.12 2.17 -0.22 1.54 1.02 -1.26 -0.53 119.74 122.58 1iou s LYS 23 Ca -0.12 -1.73 -0.04 0.00 0.02 0.00 0.00 55.97 54.10 1iou s LYS 23 Cb -0.16 -1.99 0.09 0.00 -0.52 0.00 0.00 37.83 35.26 1iou s LYS 23 CO 0.06 0.07 0.20 -0.51 -0.92 0.00 0.00 175.35 174.25 1iou s ASP 24 N -3.78 1.91 -0.96 2.83 1.01 0.38 -4.89 116.67 113.17 1iou s ASP 24 Ca 0.37 -0.53 -0.01 0.00 0.71 0.00 0.00 52.55 53.08 1iou s ASP 24 Cb 0.00 0.18 0.29 0.00 1.01 0.00 0.00 42.92 44.41 1iou s ASP 24 CO 0.21 -0.36 1.27 0.18 0.21 0.00 0.00 175.17 176.68 1iou n LEU 25 N 5.30 5.66 0.00 1.23 7.99 -1.26 -4.50 117.00 131.42 1iou n LEU 25 Ca -0.05 -5.27 0.00 0.00 -0.01 0.00 0.00 56.01 50.68 1iou n LEU 25 Cb 0.48 -1.12 0.00 0.00 -0.11 0.00 0.00 43.42 42.67 1iou n LEU 25 CO 0.07 1.78 0.50 -0.24 -1.51 0.00 0.00 177.39 177.99 1iou n SER 26 N 1.25 0.00 0.01 -1.43 2.88 -1.26 -3.91 113.62 111.16 1iou n SER 26 Ca 0.27 1.00 0.04 0.00 -1.33 0.00 0.00 58.87 58.85 1iou n SER 26 Cb 0.35 -0.50 -0.11 0.00 -0.75 0.00 0.00 64.21 63.20 1iou n SER 26 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1iou n GLN 27 N -2.31 0.64 -1.78 -1.46 6.02 -1.26 -4.89 117.38 112.34 1iou n GLN 27 Ca 0.00 0.02 -0.42 0.00 -0.01 0.00 0.00 57.00 56.59 1iou n GLN 27 Cb 0.00 -1.66 -0.03 0.00 1.02 0.00 0.00 30.24 29.57 1iou n GLN 27 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1iou s PHE 28 N -3.13 1.49 0.00 1.08 0.08 -1.25 -4.97 117.98 111.28 1iou s PHE 28 Ca -0.05 0.10 0.00 0.00 0.12 0.00 0.00 56.93 57.10 1iou s PHE 28 Cb 0.10 -4.07 0.00 0.00 -0.57 0.00 0.00 43.02 38.48 1iou s PHE 28 CO 0.84 -4.42 0.00 0.41 -0.10 0.00 0.00 175.22 171.96 1iou n GLY 29 N 4.89 1.09 0.00 4.36 0.00 -1.26 -4.20 105.19 110.07 1iou n GLY 29 Ca 0.22 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1iou n GLY 29 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1iou n PHE 30 N 0.00 0.00 0.24 1.61 7.35 -1.26 0.12 117.46 125.53 1iou n PHE 30 Ca 0.00 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.80 1iou n PHE 30 Cb 0.00 -0.24 0.62 0.00 0.35 0.00 0.00 39.48 40.22 1iou n PHE 30 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 1iou h PHE 31 N 0.00 0.00 -0.10 -5.13 0.04 -2.01 -2.49 116.94 107.25 1iou h PHE 31 Ca 0.00 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.56 1iou h PHE 31 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1iou h PHE 31 CO -0.05 0.17 -0.78 1.49 -0.60 0.00 0.00 178.31 178.55 1iou h GLU 32 N 0.00 0.58 0.05 1.51 4.81 -1.86 -2.31 114.58 117.36 1iou h GLU 32 Ca -0.00 -0.49 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1iou h GLU 32 Cb 0.46 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 1iou h GLU 32 CO 0.02 1.11 -0.06 -0.09 -0.73 0.00 0.00 179.01 179.27 1iou h ARG 33 N 0.39 -0.12 0.54 1.92 2.43 0.15 0.42 114.38 120.10 1iou h ARG 33 Ca -0.05 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 1iou h ARG 33 Cb 1.38 0.03 0.01 0.00 -0.42 0.00 0.00 29.97 30.96 1iou h ARG 33 CO 0.15 -0.08 -0.26 1.03 -1.51 0.00 0.00 179.97 179.30 1iou h SER 34 N -0.13 -0.61 0.39 -3.80 0.87 -1.57 0.75 113.55 109.44 1iou h SER 34 Ca 0.01 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 1iou h SER 34 Cb 0.13 0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.23 1iou h SER 34 CO -0.03 -0.35 -0.34 -1.28 -0.53 0.00 0.00 176.83 174.31 1iou h SER 35 N -0.84 -0.89 -0.72 6.23 0.87 -1.37 -1.47 113.55 115.35 1iou h SER 35 Ca -0.07 0.07 -0.07 0.00 -1.23 0.00 0.00 61.79 60.49 1iou h SER 35 Cb 0.60 0.29 -0.03 0.00 -0.44 0.00 0.00 62.40 62.82 1iou h SER 35 CO 0.12 -0.49 0.20 0.58 -0.53 0.00 0.00 176.83 176.71 1iou h VAL 36 N -0.73 1.26 -0.55 2.23 2.07 -0.21 -1.90 116.25 118.42 1iou h VAL 36 Ca -0.03 -0.95 0.10 0.00 0.82 0.00 0.00 66.70 66.64 1iou h VAL 36 Cb 0.65 0.50 -0.08 0.00 -1.52 0.00 0.00 31.29 30.83 1iou h VAL 36 CO -0.03 0.37 0.09 1.23 0.02 0.00 0.00 177.57 179.25 1iou h GLY 37 N 1.09 0.66 1.10 2.17 0.00 0.77 0.61 103.07 109.47 1iou h GLY 37 Ca 0.23 -0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.50 1iou h GLY 37 CO -0.00 -0.11 0.25 1.46 0.00 0.00 0.00 176.54 178.15 1iou h GLN 38 N 0.22 1.13 -0.89 4.80 4.20 -1.04 -1.30 115.11 122.23 1iou h GLN 38 Ca 0.28 -0.23 0.01 0.00 0.06 0.00 0.00 58.65 58.78 1iou h GLN 38 Cb 0.41 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 27.97 1iou h GLN 38 CO -0.38 0.95 0.59 0.35 -0.67 0.00 0.00 178.83 179.66 1iou h PHE 39 N 1.09 1.11 0.71 2.96 3.04 0.01 0.36 116.94 126.22 1iou h PHE 39 Ca 0.24 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.18 1iou h PHE 39 Cb 0.27 -0.38 0.01 0.00 2.56 0.00 0.00 35.95 38.41 1iou h PHE 39 CO 0.02 0.69 -0.34 0.52 -2.02 0.00 0.00 178.31 177.19 1iou h MET 40 N 1.19 -0.92 0.80 1.11 2.86 0.91 -2.15 114.93 118.73 1iou h MET 40 Ca 0.33 0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.99 1iou h MET 40 Cb -0.12 0.21 0.01 0.00 0.06 0.00 0.00 31.60 31.76 1iou h MET 40 CO -0.07 -0.59 -0.38 1.15 1.06 0.00 0.00 176.91 178.07 1iou h THR 41 N -1.20 0.21 -0.93 2.22 2.02 -1.12 0.41 112.91 114.52 1iou h THR 41 Ca -0.10 -0.03 0.27 0.00 0.77 0.00 0.00 66.41 67.33 1iou h THR 41 Cb 0.75 0.21 -0.15 0.00 -1.74 0.00 0.00 68.15 67.22 1iou h THR 41 CO 0.16 0.00 0.34 0.15 0.37 0.00 0.00 175.52 176.54 1iou h PHE 42 N -1.09 0.53 0.00 3.16 3.57 -0.40 1.50 116.94 124.21 1iou h PHE 42 Ca -0.11 0.05 -0.16 0.00 3.53 0.00 0.00 57.97 61.27 1iou h PHE 42 Cb 0.82 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.46 1iou h PHE 42 CO -0.01 -0.22 -0.78 0.35 -2.23 0.00 0.00 178.31 175.41 1iou h PHE 43 N 0.22 0.00 -0.08 0.41 3.57 -1.13 -2.46 116.94 117.48 1iou h PHE 43 Ca 0.63 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.95 1iou h PHE 43 Cb 1.34 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.08 1iou h PHE 43 CO -0.19 0.78 -0.68 0.00 -2.23 0.00 0.00 178.31 175.99 1iou h ALA 44 N 1.22 0.68 -0.17 2.41 0.00 0.61 -2.47 119.26 121.53 1iou h ALA 44 Ca -0.01 -0.59 -0.22 0.00 0.00 0.00 0.00 54.91 54.10 1iou h ALA 44 Cb 1.38 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.11 1iou h ALA 44 CO 0.10 0.75 -0.74 1.05 0.00 0.00 0.00 179.25 180.42 1iou h GLU 45 N 0.25 0.81 0.27 0.00 4.11 0.10 -2.79 114.58 117.34 1iou h GLU 45 Ca -0.02 -0.64 -0.00 0.00 0.07 0.00 0.00 59.36 58.77 1iou h GLU 45 Cb 1.24 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 1iou h GLU 45 CO 0.11 1.25 -0.20 1.15 0.07 0.00 0.00 179.01 181.39 1iou h THR 46 N 0.56 0.57 -0.19 -1.06 2.02 -1.41 -0.46 112.91 112.93 1iou h THR 46 Ca -0.04 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.17 1iou h THR 46 Cb 1.37 0.57 -0.06 0.00 -1.74 0.00 0.00 68.15 68.29 1iou h THR 46 CO 0.15 0.00 -0.45 -0.37 0.37 0.00 0.00 175.52 175.23 1iou h VAL 47 N -0.48 0.00 -0.82 3.16 -1.51 -1.46 1.31 116.25 116.44 1iou h VAL 47 Ca -0.02 0.00 0.24 0.00 -1.23 0.00 0.00 66.70 65.69 1iou h VAL 47 Cb 0.41 0.00 -0.03 0.00 -2.13 0.00 0.00 31.29 29.54 1iou h VAL 47 CO -0.00 0.00 0.60 0.00 -1.23 0.00 0.00 177.57 176.93 1iou h ALA 48 N -0.43 2.78 -0.15 5.19 0.00 -1.39 1.52 119.26 126.78 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 0.53 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.38 1iou h ALA 48 CO -0.40 -1.02 -0.74 1.03 0.00 0.00 0.00 179.25 178.12 1iou h SER 49 N 0.00 0.84 0.37 0.00 0.87 0.20 -3.08 113.55 112.75 1iou h SER 49 Ca 0.39 -0.54 -0.16 0.00 -1.23 0.00 0.00 61.79 60.25 1iou h SER 49 Cb 1.58 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 63.28 1iou h SER 49 CO -0.00 1.32 -0.67 0.03 -0.53 0.00 0.00 176.83 176.97 1iou h ARG 50 N 0.50 0.27 -6.47 2.24 3.08 0.93 -3.41 114.38 111.53 1iou h ARG 50 Ca -0.04 -0.21 -0.56 0.00 0.07 0.00 0.00 59.98 59.24 1iou h ARG 50 Cb 1.35 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 31.36 1iou h ARG 50 CO 0.15 0.84 0.91 0.99 -1.07 0.00 0.00 179.97 181.79 1iou s THR 51 N -3.65 4.09 -0.12 2.04 2.01 0.44 -4.90 115.64 115.55 1iou s THR 51 Ca -0.04 0.82 -0.01 0.00 0.31 0.00 0.00 61.69 62.76 1iou s THR 51 Cb 0.11 -4.69 0.04 0.00 0.01 0.00 0.00 72.50 67.98 1iou s THR 51 CO 0.81 -1.29 2.18 0.61 -0.69 0.00 0.00 174.62 176.24 1iou n GLY 52 N 5.06 3.12 1.65 4.40 0.00 -1.26 -4.80 105.19 113.36 1iou n GLY 52 Ca 0.08 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 1.21 -2.00 -0.98 4.61 0.00 -1.26 -4.77 120.51 117.32 1iou n ALA 53 Ca 0.15 0.50 0.00 0.00 0.00 0.00 0.00 53.44 54.09 1iou n ALA 53 Cb 0.56 -1.50 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 -2.27 0.80 2.61 0.00 0.00 -1.23 -4.97 105.19 100.13 1iou n GLY 54 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.21 0.36 -4.12 1.61 0.28 -1.26 -4.94 120.64 110.37 1iou n GLU 55 Ca 0.00 -2.64 -0.10 0.00 -0.16 0.00 0.00 57.16 54.26 1iou n GLU 55 Cb 0.01 2.21 -0.10 0.00 1.43 0.00 0.00 31.44 34.99 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 -3.04 0.69 0.19 3.44 1.70 -1.26 -1.17 118.95 119.50 1iou s ARG 56 Ca 0.31 -1.14 0.02 0.00 -0.47 0.00 0.00 55.73 54.45 1iou s ARG 56 Cb 0.01 -0.11 -0.05 0.00 -0.57 0.00 0.00 34.95 34.24 1iou s ARG 56 CO 0.22 -0.03 -0.01 -0.65 -1.08 0.00 0.00 175.30 173.76 1iou s GLN 57 N -3.23 1.17 -0.28 3.89 -1.52 -0.70 -4.93 119.66 114.06 1iou s GLN 57 Ca 0.04 -1.57 0.01 0.00 -1.95 0.00 0.00 55.36 51.89 1iou s GLN 57 Cb 0.02 -0.40 0.15 0.00 -0.22 0.00 0.00 33.01 32.56 1iou s GLN 57 CO -0.05 -0.11 0.38 -1.12 -0.25 0.00 0.00 175.29 174.15 1iou s SER 58 N -3.21 0.59 -0.54 5.90 0.01 -1.26 0.18 113.70 115.38 1iou s SER 58 Ca 0.25 -0.35 -0.21 0.00 1.31 0.00 0.00 55.95 56.96 1iou s SER 58 Cb 0.06 1.00 0.06 0.00 0.21 0.00 0.00 66.02 67.34 1iou s SER 58 CO 0.05 -0.35 0.74 0.27 0.41 0.00 0.00 173.24 174.36 1iou s ILE 59 N 2.51 4.71 -0.30 1.44 -4.36 -0.99 -4.83 121.20 119.37 1iou s ILE 59 Ca 0.10 -0.35 -0.19 0.00 -0.26 0.00 0.00 60.65 59.95 1iou s ILE 59 Cb -0.13 -4.41 -0.01 0.00 1.25 0.00 0.00 42.46 39.16 1iou s ILE 59 CO -0.28 -0.97 0.57 -1.83 0.24 0.00 0.00 174.94 172.67 1iou s GLU 60 N 3.06 3.89 0.47 0.37 1.03 -1.26 0.00 118.70 126.27 1iou s GLU 60 Ca 0.19 0.21 0.08 0.00 0.03 0.00 0.00 54.97 55.47 1iou s GLU 60 Cb -0.18 -3.72 0.02 0.00 -0.80 0.00 0.00 34.13 29.45 1iou s GLU 60 CO 0.13 -0.52 0.56 -2.00 -1.33 0.00 0.00 175.26 172.10 1iou s GLU 61 N 2.47 2.58 0.57 -4.83 2.56 0.26 -4.94 118.70 117.37 1iou s GLU 61 Ca 0.22 -1.48 0.37 0.00 0.00 0.00 0.00 54.97 54.09 1iou s GLU 61 Cb -0.15 -2.58 1.45 0.00 2.00 0.00 0.00 34.13 34.85 1iou s GLU 61 CO 0.11 -0.43 1.63 0.78 -0.56 0.00 0.00 175.26 176.80 1iou h GLY 62 N 0.63 0.00 -3.57 -1.50 0.00 -2.05 -2.92 103.07 93.67 1iou h GLY 62 Ca -0.38 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.81 1iou h GLY 62 CO 0.48 0.00 -0.26 -2.01 0.00 0.00 0.00 176.54 174.75 1iou n ASN 63 N -3.82 -1.18 -3.74 0.19 5.15 -1.26 -5.07 115.26 105.53 1iou n ASN 63 Ca 0.28 -2.02 -0.10 0.00 -0.60 0.00 0.00 54.58 52.13 1iou n ASN 63 Cb 1.45 0.48 -0.04 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 0.07 0.46 0.04 1.20 1.51 -1.10 -4.31 117.35 115.22 1iou s TYR 64 Ca 0.05 -0.83 -0.07 0.00 -1.01 0.00 0.00 57.07 55.21 1iou s TYR 64 Cb 0.23 0.21 -0.01 0.00 -0.11 0.00 0.00 41.96 42.29 1iou s TYR 64 CO -0.07 -1.09 0.13 0.42 -1.11 0.00 0.00 175.55 173.83 1iou s ILE 65 N -3.66 0.13 -0.40 2.71 1.01 0.59 0.90 121.20 122.49 1iou s ILE 65 Ca 0.23 -1.08 0.07 0.00 0.00 0.00 0.00 60.65 59.87 1iou s ILE 65 Cb -0.01 -0.97 0.23 0.00 0.01 0.00 0.00 42.46 41.72 1iou s ILE 65 CO 0.11 -0.59 0.49 0.61 0.00 0.00 0.00 174.94 175.56 1iou n GLY 66 N 0.64 2.59 3.50 6.18 0.00 0.10 -0.60 105.19 117.60 1iou n GLY 66 Ca -0.18 -1.45 -0.32 0.00 0.00 0.00 0.00 46.02 44.07 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 1.78 -0.60 -3.72 1.61 8.25 0.55 -2.35 115.22 120.74 1iou n HIS 67 Ca 0.23 0.27 -0.13 0.00 -0.26 0.00 0.00 57.72 57.82 1iou n HIS 67 Cb 0.52 -1.84 -0.10 0.00 1.12 0.00 0.00 29.99 29.69 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 -2.48 0.00 -0.19 1.59 1.01 0.49 -1.19 120.40 119.63 1iou s VAL 68 Ca 0.61 -0.04 -0.04 0.00 0.00 0.00 0.00 61.98 62.51 1iou s VAL 68 Cb -0.21 -0.63 0.09 0.00 0.00 0.00 0.00 36.38 35.63 1iou s VAL 68 CO 0.64 -0.02 0.30 -0.31 0.00 0.00 0.00 175.10 175.71 1iou s TYR 69 N 0.08 -0.53 0.06 5.22 1.51 -0.94 -1.72 117.35 121.02 1iou s TYR 69 Ca -0.01 0.80 0.05 0.00 -1.01 0.00 0.00 57.07 56.89 1iou s TYR 69 Cb -0.03 -0.07 -0.04 0.00 -0.11 0.00 0.00 41.96 41.71 1iou s TYR 69 CO 0.01 -0.53 -0.07 0.00 -1.11 0.00 0.00 175.55 173.85 1iou s ALA 70 N 2.45 3.03 0.21 3.71 0.00 -0.32 -2.43 121.76 128.42 1iou s ALA 70 Ca 0.05 -1.12 0.05 0.00 0.00 0.00 0.00 51.96 50.94 1iou s ALA 70 Cb -0.14 -1.04 -0.03 0.00 0.00 0.00 0.00 23.12 21.90 1iou s ALA 70 CO -0.12 0.64 0.23 0.50 0.00 0.00 0.00 175.76 177.01 1iou s ARG 71 N -1.86 3.13 0.62 0.00 6.06 -1.26 -3.94 118.95 121.70 1iou s ARG 71 Ca 0.20 -0.85 0.39 0.00 -2.50 0.00 0.00 55.73 52.97 1iou s ARG 71 Cb -0.11 -2.74 2.13 0.00 0.06 0.00 0.00 34.95 34.29 1iou s ARG 71 CO 0.12 0.45 2.20 0.66 -2.50 0.00 0.00 175.30 176.22 1iou h SER 72 N 1.78 0.00 0.00 -2.12 4.64 -1.94 -3.24 113.55 112.67 1iou h SER 72 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1iou h SER 72 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1iou h SER 72 CO 0.63 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.97 1iou n GLU 73 N -2.93 0.00 0.00 4.77 -0.58 -1.26 -4.89 120.64 115.75 1iou n GLU 73 Ca -0.03 0.34 0.00 0.00 -0.42 0.00 0.00 57.16 57.05 1iou n GLU 73 Cb 0.12 -1.08 0.00 0.00 -0.57 0.00 0.00 31.44 29.92 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 -0.80 0.16 3.35 0.62 0.00 -1.22 -5.04 105.19 102.26 1iou n GLY 74 Ca 0.00 0.00 -0.37 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 3.96 0.42 -0.61 -0.00 -1.26 -4.29 121.20 119.42 1iou s ILE 75 Ca 0.00 -0.65 -0.01 0.00 -0.00 0.00 0.00 60.65 59.99 1iou s ILE 75 Cb 0.00 -3.02 -0.02 0.00 -0.00 0.00 0.00 42.46 39.42 1iou s ILE 75 CO 0.00 0.11 0.65 0.00 -0.00 0.00 0.00 174.94 175.70 1iou s GLY 77 N -4.13 1.18 0.04 0.00 0.00 -1.02 -1.11 107.32 102.28 1iou s GLY 77 Ca 0.45 -1.26 0.07 0.00 0.00 0.00 0.00 44.72 43.98 1iou s GLY 77 CO 0.39 -1.29 -0.19 0.14 0.00 0.00 0.00 173.10 172.15 1iou s VAL 78 N -1.56 2.74 -0.25 1.40 1.01 -0.24 -2.22 120.40 121.28 1iou s VAL 78 Ca 0.07 -1.21 -0.00 0.00 0.00 0.00 0.00 61.98 60.84 1iou s VAL 78 Cb -0.08 -2.15 0.07 0.00 0.00 0.00 0.00 36.38 34.22 1iou s VAL 78 CO 0.04 0.34 0.02 -0.22 0.00 0.00 0.00 175.10 175.27 1iou s LEU 79 N -1.44 2.28 -0.24 3.92 0.20 -0.34 -1.45 118.68 121.62 1iou s LEU 79 Ca 0.14 -1.27 -0.10 0.00 0.69 0.00 0.00 54.13 53.59 1iou s LEU 79 Cb -0.10 -0.97 -0.05 0.00 -0.43 0.00 0.00 46.19 44.63 1iou s LEU 79 CO 0.05 -0.31 0.15 0.27 -0.29 0.00 0.00 176.35 176.22 1iou s ILE 80 N 1.54 5.26 0.16 6.68 -0.00 -0.22 0.20 121.20 134.83 1iou s ILE 80 Ca 0.01 0.15 0.01 0.00 -0.00 0.00 0.00 60.65 60.82 1iou s ILE 80 Cb -0.18 -3.45 -0.01 0.00 -0.00 0.00 0.00 42.46 38.83 1iou s ILE 80 CO -0.12 0.35 0.05 0.35 -0.00 0.00 0.00 174.94 175.58 1iou n THR 81 N 4.29 0.00 -3.66 8.37 -2.24 0.23 -2.12 114.28 119.16 1iou n THR 81 Ca -0.15 -0.91 -0.22 0.00 -2.27 0.00 0.00 64.05 60.49 1iou n THR 81 Cb 0.52 0.32 -0.01 0.00 -2.10 0.00 0.00 70.33 69.05 1iou n THR 81 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1iou s ASP 82 N -1.97 6.26 0.59 3.42 -1.08 -0.48 0.22 116.67 123.63 1iou s ASP 82 Ca 0.07 0.21 0.30 0.00 -0.52 0.00 0.00 52.55 52.61 1iou s ASP 82 Cb 0.00 -1.86 1.37 0.00 -1.46 0.00 0.00 42.92 40.97 1iou s ASP 82 CO 0.05 -0.22 1.75 0.07 0.52 0.00 0.00 175.17 177.35 1iou h LYS 83 N 0.95 0.00 -2.21 4.34 2.10 -1.75 -1.39 116.57 118.61 1iou h LYS 83 Ca -0.50 0.00 -0.78 0.00 -2.00 0.00 0.00 60.65 57.36 1iou h LYS 83 Cb 1.23 0.00 -0.25 0.00 -0.90 0.00 0.00 32.23 32.30 1iou h LYS 83 CO 0.60 0.00 1.14 1.04 -2.00 0.00 0.00 179.45 180.24 1iou n GLN 84 N -3.67 4.60 -3.30 0.07 6.02 -1.26 -4.78 117.38 115.06 1iou n GLN 84 Ca 0.14 -4.20 -0.09 0.00 -0.01 0.00 0.00 57.00 52.84 1iou n GLN 84 Cb 0.95 -2.42 -0.05 0.00 1.02 0.00 0.00 30.24 29.73 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 -3.91 -0.92 0.41 1.08 6.14 -0.52 -3.71 117.35 115.91 1iou s TYR 85 Ca 0.44 -0.10 -0.24 0.00 0.64 0.00 0.00 57.07 57.82 1iou s TYR 85 Cb 0.26 -0.14 -0.11 0.00 0.42 0.00 0.00 41.96 42.38 1iou s TYR 85 CO -0.20 -1.02 0.84 -0.35 0.64 0.00 0.00 175.55 175.46 1iou n PRO 86 N 4.75 1.04 0.14 4.97 -0.04 -1.26 -4.82 135.00 139.78 1iou n PRO 86 Ca 0.07 0.37 0.01 0.00 -0.04 0.00 0.00 63.50 63.92 1iou n PRO 86 Cb 0.49 -1.82 0.10 0.00 -0.04 0.00 0.00 33.50 32.23 1iou n PRO 86 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1iou h VAL 87 N 1.28 1.07 -0.57 0.52 3.04 -1.98 -3.33 116.25 116.28 1iou h VAL 87 Ca -0.42 -2.23 0.10 0.00 -1.01 0.00 0.00 66.70 63.13 1iou h VAL 87 Cb 1.36 2.34 -0.11 0.00 -2.01 0.00 0.00 31.29 32.87 1iou h VAL 87 CO 0.55 0.55 -0.38 0.03 -1.01 0.00 0.00 177.57 177.32 1iou h ARG 88 N 0.00 -0.19 0.00 4.17 3.08 -1.99 1.06 114.38 120.51 1iou h ARG 88 Ca -0.01 0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 1iou h ARG 88 Cb 1.29 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.38 1iou h ARG 88 CO 0.07 -0.13 -0.25 -1.00 -1.07 0.00 0.00 179.97 177.59 1iou h PRO 89 N -0.20 0.00 0.00 0.04 0.13 -1.97 -0.93 132.00 129.07 1iou h PRO 89 Ca 0.20 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.25 1iou h PRO 89 Cb 0.56 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 1iou h PRO 89 CO -0.67 0.25 -0.40 0.00 -0.23 0.00 0.00 178.00 176.95 1iou h ALA 90 N 1.75 1.03 -0.17 -0.56 0.00 -0.23 0.23 119.26 121.31 1iou h ALA 90 Ca -0.00 -0.36 -0.21 0.00 0.00 0.00 0.00 54.91 54.34 1iou h ALA 90 Cb 0.59 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1iou h ALA 90 CO 0.03 0.50 -0.72 -0.92 0.00 0.00 0.00 179.25 178.15 1iou h TYR 91 N 0.00 0.97 -0.19 0.00 3.20 0.22 0.72 116.97 121.89 1iou h TYR 91 Ca -0.00 -0.41 -0.02 0.00 3.14 0.00 0.00 58.73 61.43 1iou h TYR 91 Cb 0.89 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 1iou h TYR 91 CO 0.00 1.22 0.03 1.15 -1.64 0.00 0.00 178.16 178.92 1iou h THR 92 N 0.52 1.23 -0.19 1.81 2.02 -0.77 0.16 112.91 117.68 1iou h THR 92 Ca -0.03 -0.75 -0.03 0.00 0.77 0.00 0.00 66.41 66.36 1iou h THR 92 Cb 1.33 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 69.08 1iou h THR 92 CO 0.14 0.23 -0.00 0.25 0.37 0.00 0.00 175.52 176.51 1iou h LEU 93 N 0.11 0.34 -1.98 2.58 5.85 -0.52 -1.73 115.31 119.96 1iou h LEU 93 Ca 0.06 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1iou h LEU 93 Cb 0.32 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1iou h LEU 93 CO 0.00 0.57 0.00 -0.07 -0.34 0.00 0.00 178.44 178.61 1iou h LEU 94 N 0.10 0.00 0.10 2.25 3.38 0.55 0.88 115.31 122.56 1iou h LEU 94 Ca 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1iou h LEU 94 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1iou h LEU 94 CO 0.01 0.00 -0.05 -1.13 0.09 0.00 0.00 178.44 177.37 1iou h ASN 95 N 0.00 -0.11 -0.56 -0.43 -0.73 0.18 -2.70 115.58 111.24 1iou h ASN 95 Ca 0.00 -0.27 -0.02 0.00 1.87 0.00 0.00 56.30 57.88 1iou h ASN 95 Cb 0.12 0.03 -0.03 0.00 0.27 0.00 0.00 38.32 38.71 1iou h ASN 95 CO 0.00 0.49 0.27 0.11 -0.37 0.00 0.00 177.43 177.93 1iou h LYS 96 N -0.99 0.81 0.26 6.67 1.57 -1.02 -2.37 116.57 121.50 1iou h LYS 96 Ca -0.01 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1iou h LYS 96 Cb 0.38 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1iou h LYS 96 CO 0.02 0.66 -0.30 0.97 -0.57 0.00 0.00 179.45 180.23 1iou h ILE 97 N 0.76 0.38 -0.84 1.86 2.10 -0.97 1.41 117.51 122.21 1iou h ILE 97 Ca 0.19 0.00 0.11 0.00 1.08 0.00 0.00 64.86 66.25 1iou h ILE 97 Cb 0.11 0.38 -0.08 0.00 -1.09 0.00 0.00 36.82 36.14 1iou h ILE 97 CO -0.02 0.00 0.47 -0.07 -1.08 0.00 0.00 178.15 177.44 1iou h LEU 98 N -0.60 0.64 -0.52 2.19 -0.00 -1.41 0.94 115.31 116.55 1iou h LEU 98 Ca -0.00 0.06 -0.12 0.00 -0.00 0.00 0.00 57.88 57.82 1iou h LEU 98 Cb 0.56 -0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 41.15 1iou h LEU 98 CO -0.08 0.34 -0.58 -0.78 -0.00 0.00 0.00 178.44 177.34 1iou h ASP 99 N 0.74 0.00 0.90 -0.43 3.58 -0.94 -2.67 116.42 117.61 1iou h ASP 99 Ca 0.43 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.68 1iou h ASP 99 Cb 0.47 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.49 1iou h ASP 99 CO -0.29 0.58 -0.94 -0.08 -2.88 0.00 0.00 179.24 175.63 1iou h GLU 100 N 0.00 0.02 -0.16 0.28 4.22 0.44 -1.82 114.58 117.56 1iou h GLU 100 Ca -0.01 -0.03 -0.14 0.00 0.08 0.00 0.00 59.36 59.26 1iou h GLU 100 Cb 1.21 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1iou h GLU 100 CO 0.07 0.94 -0.46 -0.92 -2.18 0.00 0.00 179.01 176.47 1iou h TYR 101 N 0.01 0.77 0.00 0.92 5.03 0.86 -2.47 116.97 122.09 1iou h TYR 101 Ca -0.02 -0.31 -0.07 0.00 2.58 0.00 0.00 58.73 60.91 1iou h TYR 101 Cb 1.65 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 39.79 1iou h TYR 101 CO 0.00 1.08 -0.35 1.37 -1.32 0.00 0.00 178.16 178.94 1iou h LEU 102 N 0.24 0.00 -0.04 2.82 8.10 -1.53 -3.22 115.31 121.69 1iou h LEU 102 Ca -0.01 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.95 1iou h LEU 102 Cb 1.08 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.30 1iou h LEU 102 CO 0.10 0.35 -0.09 0.58 -4.11 0.00 0.00 178.44 175.27 1iou h VAL 103 N 0.00 1.44 -0.83 0.15 2.07 -1.25 -3.13 116.25 114.70 1iou h VAL 103 Ca -0.00 -1.44 0.24 0.00 0.82 0.00 0.00 66.70 66.31 1iou h VAL 103 Cb 0.86 2.31 -0.03 0.00 -1.52 0.00 0.00 31.29 32.91 1iou h VAL 103 CO 0.05 0.39 1.03 0.00 0.02 0.00 0.00 177.57 179.06 1iou h ALA 104 N 0.45 2.71 -1.94 1.67 0.00 -1.45 -3.38 119.26 117.31 1iou h ALA 104 Ca -0.00 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1iou h ALA 104 Cb 0.68 0.06 -0.22 0.00 0.00 0.00 0.00 17.79 18.32 1iou h ALA 104 CO 0.02 -1.46 0.11 -3.38 0.00 0.00 0.00 179.25 174.54 1iou s HIS 105 N -4.44 -0.91 0.18 0.00 0.00 -1.18 -5.14 115.29 103.80 1iou s HIS 105 Ca -0.03 1.95 -0.06 0.00 -3.00 0.00 0.00 55.06 53.92 1iou s HIS 105 Cb 0.13 0.48 -0.05 0.00 -4.00 0.00 0.00 32.58 29.15 1iou s HIS 105 CO 0.45 -0.45 -0.07 -2.30 -1.00 0.00 0.00 174.74 171.38 1iou n PRO 106 N 3.63 0.00 0.01 -0.38 -0.02 -1.25 -4.66 135.00 132.33 1iou n PRO 106 Ca -0.18 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.19 1iou n PRO 106 Cb 0.57 -0.32 -0.08 0.00 -0.02 0.00 0.00 33.50 33.65 1iou n PRO 106 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1iou h LYS 107 N -0.04 -0.45 0.00 -0.52 1.63 -1.95 -2.23 116.57 113.01 1iou h LYS 107 Ca -0.13 0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 59.63 1iou h LYS 107 Cb 0.46 0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.19 1iou h LYS 107 CO 0.13 -0.30 -0.32 1.05 -3.45 0.00 0.00 179.45 176.56 1iou h GLU 108 N -0.46 0.00 -1.00 1.90 -0.00 -1.95 -2.94 114.58 110.13 1iou h GLU 108 Ca 0.02 0.00 0.36 0.00 -0.00 0.00 0.00 59.36 59.74 1iou h GLU 108 Cb 0.53 0.00 -0.16 0.00 -0.00 0.00 0.00 28.75 29.12 1iou h GLU 108 CO -0.32 0.32 0.56 1.49 -0.00 0.00 0.00 179.01 181.06 1iou h GLU 109 N 0.00 0.19 0.00 1.06 4.81 -1.69 -2.78 114.58 116.17 1iou h GLU 109 Ca -0.00 -0.01 -0.23 0.00 -0.13 0.00 0.00 59.36 58.99 1iou h GLU 109 Cb 0.68 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.98 1iou h GLU 109 CO 0.04 0.13 -1.62 -2.67 -0.73 0.00 0.00 179.01 174.15 1iou n TRP 110 N -5.14 0.25 -3.46 0.92 4.27 -1.20 -4.84 117.44 108.24 1iou n TRP 110 Ca 0.34 0.11 -0.23 0.00 -3.89 0.00 0.00 57.50 53.83 1iou n TRP 110 Cb 1.11 -0.82 -0.04 0.00 -1.36 0.00 0.00 31.31 30.19 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 -4.14 -1.03 0.00 -1.67 0.00 -1.05 0.21 120.51 112.83 1iou n ALA 111 Ca -0.33 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1iou n ALA 111 Cb 0.67 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1iou n ALA 111 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1iou n ASP 112 N -1.85 0.00 0.00 0.00 8.00 -1.26 -4.92 116.55 116.51 1iou n ASP 112 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.56 1iou n ASP 112 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 1iou n ASP 112 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1iou n VAL 113 N 0.00 0.00 -0.86 2.53 0.31 0.57 -4.62 118.33 116.26 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 -2.79 2.52 -2.24 -1.26 -4.75 114.28 105.75 1iou n THR 114 Ca 0.00 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 1iou n THR 114 Cb 0.00 -0.67 0.07 0.00 -2.10 0.00 0.00 70.33 67.63 1iou n THR 114 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1iou n GLU 115 N -0.53 1.07 -2.80 -0.78 0.28 -1.26 -5.10 120.64 111.52 1iou n GLU 115 Ca 0.00 -2.29 -0.09 0.00 -0.16 0.00 0.00 57.16 54.62 1iou n GLU 115 Cb 0.27 -0.90 -0.02 0.00 1.43 0.00 0.00 31.44 32.21 1iou n GLU 115 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1iou n THR 116 N 0.04 0.00 -3.60 3.84 -2.24 -1.26 -5.06 114.28 105.99 1iou n THR 116 Ca 0.07 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 1iou n THR 116 Cb 0.75 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 1iou n THR 116 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1iou n ASN 117 N -1.62 0.00 0.21 3.42 3.02 0.15 -4.48 115.26 115.96 1iou n ASN 117 Ca -0.04 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.63 1iou n ASN 117 Cb 0.20 0.00 0.59 0.00 -0.61 0.00 0.00 39.78 39.96 1iou n ASN 117 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 1iou h ASP 118 N 0.00 0.00 0.32 6.41 1.82 -1.83 -2.12 116.42 121.02 1iou h ASP 118 Ca 0.00 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.62 1iou h ASP 118 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1iou h ASP 118 CO 0.00 0.00 -0.15 0.00 -1.61 0.00 0.00 179.24 177.48 1iou h ALA 119 N 1.55 -0.43 -1.26 -0.78 0.00 -1.92 -2.04 119.26 114.39 1iou h ALA 119 Ca 0.00 -0.10 0.36 0.00 0.00 0.00 0.00 54.91 55.17 1iou h ALA 119 Cb 0.36 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1iou h ALA 119 CO 0.00 -0.73 0.90 1.25 0.00 0.00 0.00 179.25 180.67 1iou h LEU 120 N -0.45 0.00 -0.43 0.00 5.85 -1.63 -3.46 115.31 115.19 1iou h LEU 120 Ca -0.04 0.00 0.35 0.00 0.84 0.00 0.00 57.88 59.02 1iou h LEU 120 Cb 0.34 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 41.23 1iou h LEU 120 CO 0.07 0.00 -0.89 0.29 -0.34 0.00 0.00 178.44 177.57 1iou n LYS 121 N -4.16 -2.96 -2.66 1.25 5.02 -0.77 -5.00 118.16 108.88 1iou n LYS 121 Ca 0.27 2.24 0.01 0.00 -2.02 0.00 0.00 58.31 58.81 1iou n LYS 121 Cb 1.31 -3.57 0.01 0.00 -0.02 0.00 0.00 35.03 32.77 1iou n LYS 121 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1iou s MET 122 N -3.40 0.02 0.58 1.97 1.75 -1.26 -5.01 119.30 113.95 1iou s MET 122 Ca 0.00 -0.01 0.33 0.00 -1.25 0.00 0.00 55.69 54.76 1iou s MET 122 Cb 0.00 0.00 1.38 0.00 2.84 0.00 0.00 34.83 39.06 1iou s MET 122 CO 0.00 -0.03 1.68 0.87 -0.65 0.00 0.00 175.02 176.90 1iou h LYS 123 N 4.88 0.00 0.00 4.11 1.57 -1.97 -0.73 116.57 124.42 1iou h LYS 123 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1iou h LYS 123 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1iou h LYS 123 CO -0.12 0.00 0.00 0.94 -0.57 0.00 0.00 179.45 179.70 1iou n GLN 124 N -3.75 0.00 -0.07 3.15 -0.06 -1.26 0.42 117.38 115.80 1iou n GLN 124 Ca 0.21 0.34 0.21 0.00 -2.00 0.00 0.00 57.00 55.76 1iou n GLN 124 Cb 1.20 -1.19 0.66 0.00 -4.06 0.00 0.00 30.24 26.85 1iou n GLN 124 CO 0.00 0.00 0.00 1.37 -0.20 0.00 0.00 177.06 178.23 1iou h LEU 125 N 0.00 0.08 0.13 1.69 8.10 -1.82 0.55 115.31 124.04 1iou h LEU 125 Ca 0.00 0.01 -0.01 0.00 0.11 0.00 0.00 57.88 57.99 1iou h LEU 125 Cb 0.00 -0.01 0.00 0.00 -0.44 0.00 0.00 40.66 40.21 1iou h LEU 125 CO 0.00 0.04 -0.06 0.44 -4.11 0.00 0.00 178.44 174.75 1iou h ASP 126 N 0.09 -0.15 0.10 0.17 3.32 -1.20 -2.42 116.42 116.33 1iou h ASP 126 Ca 0.31 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 1iou h ASP 126 Cb 1.12 0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.71 1iou h ASP 126 CO -0.03 0.42 -0.07 0.74 -1.72 0.00 0.00 179.24 178.57 1iou h THR 127 N -1.00 0.93 0.29 0.35 2.02 0.35 -1.41 112.91 114.44 1iou h THR 127 Ca -0.02 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 1iou h THR 127 Cb 0.34 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1iou h THR 127 CO 0.03 0.07 -0.14 1.88 0.37 0.00 0.00 175.52 177.73 1iou h TYR 128 N 0.00 -0.36 -0.01 3.16 0.05 0.01 -2.36 116.97 117.47 1iou h TYR 128 Ca -0.00 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1iou h TYR 128 Cb 0.14 0.12 -0.00 0.00 1.01 0.00 0.00 36.73 38.00 1iou h TYR 128 CO 0.00 -0.01 0.01 0.97 -1.05 0.00 0.00 178.16 178.09 1iou h ILE 129 N -0.88 0.45 -0.03 -2.88 -0.00 -1.19 0.50 117.51 113.49 1iou h ILE 129 Ca -0.04 0.00 -0.03 0.00 -0.00 0.00 0.00 64.86 64.79 1iou h ILE 129 Cb 0.51 0.99 0.00 0.00 -0.00 0.00 0.00 36.82 38.33 1iou h ILE 129 CO 0.06 0.00 -0.11 -1.28 -0.00 0.00 0.00 178.15 176.83 1iou h SER 130 N 0.00 0.14 1.34 2.19 0.87 -1.17 -3.25 113.55 113.67 1iou h SER 130 Ca 0.00 -0.65 -0.10 0.00 -1.23 0.00 0.00 61.79 59.81 1iou h SER 130 Cb 0.03 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 1iou h SER 130 CO -0.00 0.76 -0.68 0.07 -0.53 0.00 0.00 176.83 176.45 1iou h LYS 131 N -0.47 0.00 0.00 2.24 -0.00 -0.94 -3.25 116.57 114.15 1iou h LYS 131 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.64 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 0.02 0.39 0.00 0.66 -0.00 0.00 0.00 179.45 180.53 1iou n TYR 132 N -3.12 0.30 0.10 0.07 4.01 0.17 -3.40 117.16 115.29 1iou n TYR 132 Ca -0.00 0.12 0.02 0.00 -0.16 0.00 0.00 57.90 57.88 1iou n TYR 132 Cb 0.73 -0.70 0.12 0.00 -0.31 0.00 0.00 39.34 39.18 1iou n TYR 132 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1iou n GLN 133 N -1.78 0.03 -1.29 -0.72 1.13 -1.23 -4.49 117.38 109.04 1iou n GLN 133 Ca 0.02 0.38 0.00 0.00 -1.94 0.00 0.00 57.00 55.46 1iou n GLN 133 Cb 0.15 -2.04 0.00 0.00 0.11 0.00 0.00 30.24 28.46 1iou n GLN 133 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1iou n ASP 134 N -1.61 -1.02 0.07 1.08 2.03 -1.22 -3.85 116.55 112.03 1iou n ASP 134 Ca -0.00 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.19 1iou n ASP 134 Cb 0.44 -0.26 -0.13 0.00 -0.72 0.00 0.00 41.12 40.45 1iou n ASP 134 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1iou h PRO 135 N 0.00 0.12 0.00 -0.67 0.13 -1.84 -3.39 132.00 126.35 1iou h PRO 135 Ca 0.00 -0.21 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1iou h PRO 135 Cb 0.52 0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.73 1iou h PRO 135 CO 0.00 1.05 -0.29 0.43 -0.23 0.00 0.00 178.00 178.96 1iou n SER 136 N -3.40 0.00 -3.46 1.44 7.64 -1.26 -5.00 113.62 109.57 1iou n SER 136 Ca -0.06 -1.58 -0.25 0.00 1.01 0.00 0.00 58.87 57.98 1iou n SER 136 Cb 0.99 -0.12 0.01 0.00 -1.01 0.00 0.00 64.21 64.08 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 0.00 -4.25 -3.25 1.43 6.02 -1.26 -1.41 117.38 114.65 1iou n GLN 137 Ca 0.00 0.59 -0.24 0.00 -0.01 0.00 0.00 57.00 57.34 1iou n GLN 137 Cb 0.62 -5.38 0.02 0.00 1.02 0.00 0.00 30.24 26.52 1iou n GLN 137 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1iou n ALA 138 N -3.86 -2.51 -3.24 -1.58 0.00 -1.26 -3.74 120.51 104.33 1iou n ALA 138 Ca -0.02 0.52 -0.14 0.00 0.00 0.00 0.00 53.44 53.80 1iou n ALA 138 Cb 0.55 -2.35 0.07 0.00 0.00 0.00 0.00 19.45 17.72 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 0.03 -6.69 0.00 0.00 2.03 -1.19 -5.21 116.55 105.52 1iou n ASP 139 Ca -0.02 -0.68 0.00 0.00 0.52 0.00 0.00 54.79 54.61 1iou n ASP 139 Cb 0.56 -5.21 0.00 0.00 -0.72 0.00 0.00 41.12 35.76 1iou n ASP 139 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28