#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 -1.84 0.00 0.03 3.00 -1.25 -4.42 116.66 112.18 1iou n ARG 2 Ca 0.00 0.75 0.00 0.00 -0.01 0.00 0.00 57.85 58.59 1iou n ARG 2 Cb 0.00 -5.26 0.00 0.00 0.00 0.00 0.00 32.46 27.20 1iou n ARG 2 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 1iou n ILE 3 N -3.03 0.00 -0.10 0.55 3.06 -1.26 -4.38 119.36 114.20 1iou n ILE 3 Ca -0.16 0.00 -0.13 0.00 -2.50 0.00 0.00 62.75 59.96 1iou n ILE 3 Cb 0.58 0.00 -0.11 0.00 0.54 0.00 0.00 39.64 40.66 1iou n ILE 3 CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 1iou n TYR 4 N 0.00 0.00 -3.68 9.51 4.02 -0.66 -4.70 117.16 121.64 1iou n TYR 4 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.79 1iou n TYR 4 Cb 0.00 -0.80 -0.04 0.00 -0.02 0.00 0.00 39.34 38.47 1iou n TYR 4 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 1iou s TYR 5 N -2.41 -0.14 0.19 -0.72 6.14 -0.09 0.13 117.35 120.45 1iou s TYR 5 Ca -0.23 -0.19 -0.16 0.00 0.64 0.00 0.00 57.07 57.14 1iou s TYR 5 Cb 0.07 0.29 0.02 0.00 0.42 0.00 0.00 41.96 42.75 1iou s TYR 5 CO 0.53 -0.78 0.48 0.42 0.64 0.00 0.00 175.55 176.85 1iou s ILE 6 N -3.84 0.03 -5.00 3.14 1.01 0.30 0.64 121.20 117.48 1iou s ILE 6 Ca 0.06 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.84 1iou s ILE 6 Cb 0.01 -1.61 0.00 0.00 0.01 0.00 0.00 42.46 40.87 1iou s ILE 6 CO -0.08 -0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.32 1iou n GLY 7 N -0.32 -1.48 3.16 6.18 0.00 -0.21 -1.03 105.19 111.50 1iou n GLY 7 Ca -0.10 -1.31 -0.15 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.69 0.93 -0.19 1.61 1.01 0.13 -0.35 120.40 120.86 1iou s VAL 8 Ca 0.00 -1.53 -0.17 0.00 0.00 0.00 0.00 61.98 60.29 1iou s VAL 8 Cb 0.00 -1.24 0.05 0.00 0.00 0.00 0.00 36.38 35.19 1iou s VAL 8 CO 0.00 -0.48 0.50 -0.36 0.00 0.00 0.00 175.10 174.76 1iou s PHE 9 N -2.13 -0.57 0.12 5.22 0.40 -0.03 0.04 117.98 121.03 1iou s PHE 9 Ca 0.03 1.36 -0.23 0.00 -0.60 0.00 0.00 56.93 57.49 1iou s PHE 9 Cb -0.05 0.21 -0.07 0.00 0.51 0.00 0.00 43.02 43.62 1iou s PHE 9 CO 0.00 -0.28 0.68 0.50 0.70 0.00 0.00 175.22 176.83 1iou s ARG 10 N 0.40 4.40 -1.08 0.44 3.00 0.37 -2.51 118.95 123.97 1iou s ARG 10 Ca -0.01 0.96 -0.25 0.00 -1.00 0.00 0.00 55.73 55.43 1iou s ARG 10 Cb -0.04 -3.25 -0.16 0.00 0.00 0.00 0.00 34.95 31.51 1iou s ARG 10 CO -0.01 0.60 2.07 -1.12 0.00 0.00 0.00 175.30 176.84 1iou s SER 11 N -1.14 4.17 0.00 -2.12 0.01 -1.26 0.30 113.70 113.66 1iou s SER 11 Ca 0.33 -1.11 0.00 0.00 1.31 0.00 0.00 55.95 56.48 1iou s SER 11 Cb -0.21 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.43 1iou s SER 11 CO 0.23 -3.94 0.00 0.61 0.41 0.00 0.00 173.24 170.55 1iou n GLY 12 N 6.14 -1.71 0.00 3.44 0.00 -0.83 -4.92 105.19 107.31 1iou n GLY 12 Ca 0.43 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1iou n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iou n GLY 13 N 2.29 0.95 0.18 -0.02 0.00 -1.26 -4.65 105.19 102.69 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 -2.09 0.00 0.00 0.00 173.32 171.23 1iou h GLU 14 N 0.00 0.00 0.00 1.61 4.81 -1.98 -3.47 114.58 115.55 1iou h GLU 14 Ca 0.00 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.02 1iou h GLU 14 Cb 0.00 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 1iou h GLU 14 CO 0.00 0.30 -0.10 0.36 -0.73 0.00 0.00 179.01 178.84 1iou n LYS 15 N -3.24 0.55 -3.41 1.92 0.00 -1.26 -5.04 118.16 107.68 1iou n LYS 15 Ca 0.02 -2.13 -0.38 0.00 -0.00 0.00 0.00 58.31 55.82 1iou n LYS 15 Cb 0.59 2.06 -0.07 0.00 -0.00 0.00 0.00 35.03 37.62 1iou n LYS 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1iou s ALA 16 N -2.48 3.55 -0.01 0.58 0.00 -0.98 -1.96 121.76 120.46 1iou s ALA 16 Ca 0.22 -0.44 -0.30 0.00 0.00 0.00 0.00 51.96 51.43 1iou s ALA 16 Cb -0.01 -2.58 -0.06 0.00 0.00 0.00 0.00 23.12 20.46 1iou s ALA 16 CO 0.16 -0.16 1.61 -1.17 0.00 0.00 0.00 175.76 176.20 1iou s LEU 17 N 1.00 4.33 -0.55 0.00 0.20 0.15 -4.74 118.68 119.07 1iou s LEU 17 Ca 0.20 2.29 -0.26 0.00 0.69 0.00 0.00 54.13 57.04 1iou s LEU 17 Cb -0.14 -3.55 -0.07 0.00 -0.43 0.00 0.00 46.19 42.00 1iou s LEU 17 CO 0.07 -0.88 2.36 -1.83 -0.29 0.00 0.00 176.35 175.78 1iou s GLU 18 N 3.38 2.07 -0.06 1.98 -1.05 -1.26 -0.48 118.70 123.28 1iou s GLU 18 Ca 0.72 1.18 -0.18 0.00 -0.15 0.00 0.00 54.97 56.54 1iou s GLU 18 Cb -0.35 -4.61 -0.30 0.00 -0.44 0.00 0.00 34.13 28.43 1iou s GLU 18 CO 0.30 -3.42 0.76 -0.07 0.95 0.00 0.00 175.26 173.78 1iou h LEU 19 N 19.78 0.49 -7.32 1.83 3.38 -0.73 -3.43 115.31 129.32 1iou h LEU 19 Ca -0.20 -0.91 -0.18 0.00 0.09 0.00 0.00 57.88 56.69 1iou h LEU 19 Cb 1.22 -0.16 -0.29 0.00 0.09 0.00 0.00 40.66 41.52 1iou h LEU 19 CO 1.14 1.55 -0.44 -0.55 0.09 0.00 0.00 178.44 180.23 1iou s SER 20 N -7.09 -0.33 -0.22 -0.43 0.15 0.20 -0.05 113.70 105.93 1iou s SER 20 Ca -0.16 0.61 0.01 0.00 0.70 0.00 0.00 55.95 57.12 1iou s SER 20 Cb 0.03 0.50 0.05 0.00 -1.71 0.00 0.00 66.02 64.89 1iou s SER 20 CO 0.82 -0.17 -0.09 -0.70 1.20 0.00 0.00 173.24 174.30 1iou s GLU 21 N 1.28 1.99 -0.05 5.44 2.12 -1.26 -0.69 118.70 127.53 1iou s GLU 21 Ca -0.09 -1.01 0.03 0.00 0.36 0.00 0.00 54.97 54.25 1iou s GLU 21 Cb -0.10 -2.59 0.01 0.00 0.26 0.00 0.00 34.13 31.71 1iou s GLU 21 CO -0.09 -0.51 -0.12 0.54 -0.54 0.00 0.00 175.26 174.54 1iou s VAL 22 N 1.32 1.03 0.30 3.70 0.11 -0.20 -5.01 120.40 121.65 1iou s VAL 22 Ca -0.04 -0.46 0.10 0.00 -2.93 0.00 0.00 61.98 58.64 1iou s VAL 22 Cb -0.18 -0.93 -0.06 0.00 -1.53 0.00 0.00 36.38 33.69 1iou s VAL 22 CO -0.07 0.32 -0.12 -0.54 -3.33 0.00 0.00 175.10 171.36 1iou s LYS 23 N 0.42 1.69 -0.23 1.54 1.02 -1.26 -0.54 119.74 122.37 1iou s LYS 23 Ca -0.09 -1.83 -0.02 0.00 0.02 0.00 0.00 55.97 54.05 1iou s LYS 23 Cb -0.13 -1.58 0.07 0.00 -0.52 0.00 0.00 37.83 35.68 1iou s LYS 23 CO 0.02 0.18 0.05 -0.51 -0.92 0.00 0.00 175.35 174.17 1iou s ASP 24 N -3.53 3.32 -0.64 2.83 1.01 0.35 -4.91 116.67 115.10 1iou s ASP 24 Ca 0.30 -1.08 0.05 0.00 0.71 0.00 0.00 52.55 52.53 1iou s ASP 24 Cb 0.00 -0.71 0.18 0.00 1.01 0.00 0.00 42.92 43.39 1iou s ASP 24 CO 0.14 -0.33 0.48 0.18 0.21 0.00 0.00 175.17 175.85 1iou n LEU 25 N 4.97 2.34 -0.06 1.23 4.77 -1.26 -4.54 117.00 124.45 1iou n LEU 25 Ca -0.07 -5.05 -0.03 0.00 -0.03 0.00 0.00 56.01 50.82 1iou n LEU 25 Cb 0.45 -0.47 -0.02 0.00 -2.33 0.00 0.00 43.42 41.05 1iou n LEU 25 CO 0.13 1.80 0.01 0.77 -1.33 0.00 0.00 177.39 178.77 1iou h SER 26 N 5.34 0.00 0.00 -1.43 4.64 -1.96 -3.42 113.55 116.72 1iou h SER 26 Ca 0.18 -0.16 -0.07 0.00 -0.47 0.00 0.00 61.79 61.27 1iou h SER 26 Cb 0.78 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.86 1iou h SER 26 CO 0.65 0.62 -0.44 0.06 -0.87 0.00 0.00 176.83 176.85 1iou h GLN 27 N -1.00 0.00 -3.87 4.77 3.07 -2.01 -3.47 115.11 112.61 1iou h GLN 27 Ca -0.01 0.00 -0.53 0.00 0.09 0.00 0.00 58.65 58.21 1iou h GLN 27 Cb 0.22 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.77 1iou h GLN 27 CO -0.00 0.68 0.68 1.19 0.09 0.00 0.00 178.83 181.46 1iou n PHE 28 N -4.59 0.91 -0.12 0.06 3.01 -1.26 -4.87 117.46 110.59 1iou n PHE 28 Ca -0.14 0.60 -0.08 0.00 1.01 0.00 0.00 57.45 58.84 1iou n PHE 28 Cb 0.42 -1.46 0.07 0.00 -0.01 0.00 0.00 39.48 38.50 1iou n PHE 28 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1iou n GLY 29 N 3.90 -2.76 0.07 1.37 0.00 -1.26 -4.01 105.19 102.50 1iou n GLY 29 Ca 0.29 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 1iou n GLY 29 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1iou h PHE 30 N -2.22 -0.06 -0.36 1.61 -0.00 -1.99 0.88 116.94 114.80 1iou h PHE 30 Ca -0.10 -0.00 -0.11 0.00 -0.00 0.00 0.00 57.97 57.76 1iou h PHE 30 Cb 0.33 0.02 -0.01 0.00 -0.00 0.00 0.00 35.95 36.29 1iou h PHE 30 CO 0.00 0.11 -0.22 0.27 -0.00 0.00 0.00 178.31 178.46 1iou h PHE 31 N -0.23 0.91 -0.64 6.09 -0.00 -2.01 -3.04 116.94 118.03 1iou h PHE 31 Ca -0.01 -0.24 -0.04 0.00 -0.00 0.00 0.00 57.97 57.68 1iou h PHE 31 Cb 0.20 -0.20 -0.03 0.00 -0.00 0.00 0.00 35.95 35.92 1iou h PHE 31 CO -0.02 0.99 0.25 1.49 -0.00 0.00 0.00 178.31 181.02 1iou h GLU 32 N 0.57 0.96 -1.07 6.09 4.81 -1.84 -2.38 114.58 121.72 1iou h GLU 32 Ca 0.07 -0.18 0.29 0.00 -0.13 0.00 0.00 59.36 59.41 1iou h GLU 32 Cb 0.78 -0.15 -0.10 0.00 0.63 0.00 0.00 28.75 29.91 1iou h GLU 32 CO 0.06 0.82 0.68 0.00 -0.73 0.00 0.00 179.01 179.84 1iou h ARG 33 N 0.90 0.36 0.29 1.92 3.08 0.92 0.40 114.38 122.25 1iou h ARG 33 Ca 0.21 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 1iou h ARG 33 Cb 0.22 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1iou h ARG 33 CO -0.02 0.24 -0.14 1.03 -1.07 0.00 0.00 179.97 180.01 1iou h SER 34 N 0.37 -0.33 -0.05 7.04 0.87 -1.42 -1.99 113.55 118.04 1iou h SER 34 Ca 0.63 -0.14 0.03 0.00 -1.23 0.00 0.00 61.79 61.09 1iou h SER 34 Cb 1.62 0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 63.62 1iou h SER 34 CO -0.34 0.15 -0.18 -1.28 -0.53 0.00 0.00 176.83 174.65 1iou h SER 35 N -1.02 -0.53 -0.47 6.23 0.87 -1.06 -2.35 113.55 115.22 1iou h SER 35 Ca -0.04 0.08 0.04 0.00 -1.23 0.00 0.00 61.79 60.65 1iou h SER 35 Cb 0.45 0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 62.60 1iou h SER 35 CO 0.07 -0.23 0.23 0.58 -0.53 0.00 0.00 176.83 176.94 1iou h VAL 36 N -0.26 0.95 -0.55 2.23 2.07 -0.37 -2.06 116.25 118.26 1iou h VAL 36 Ca 0.07 -0.16 0.11 0.00 0.82 0.00 0.00 66.70 67.55 1iou h VAL 36 Cb 0.36 0.46 -0.11 0.00 -1.52 0.00 0.00 31.29 30.48 1iou h VAL 36 CO -0.21 0.08 -0.20 1.23 0.02 0.00 0.00 177.57 178.50 1iou h GLY 37 N 0.45 0.25 1.46 2.17 0.00 -0.85 0.77 103.07 107.32 1iou h GLY 37 Ca 0.21 0.26 0.02 0.00 0.00 0.00 0.00 47.33 47.81 1iou h GLY 37 CO -0.15 -0.22 0.33 1.46 0.00 0.00 0.00 176.54 177.96 1iou h GLN 38 N -0.07 0.62 -0.38 4.80 4.20 -1.02 -1.27 115.11 121.99 1iou h GLN 38 Ca 0.26 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.90 1iou h GLN 38 Cb 0.47 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 1iou h GLN 38 CO -0.60 0.41 0.11 0.35 -0.67 0.00 0.00 178.83 178.43 1iou h PHE 39 N 0.64 0.62 0.31 2.96 3.04 0.97 -0.66 116.94 124.81 1iou h PHE 39 Ca 0.19 -0.06 -0.01 0.00 3.98 0.00 0.00 57.97 62.07 1iou h PHE 39 Cb -0.00 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.32 1iou h PHE 39 CO -0.00 0.59 -0.20 0.52 -2.02 0.00 0.00 178.31 177.20 1iou h MET 40 N 0.46 -0.47 0.69 1.11 2.86 0.94 -2.33 114.93 118.20 1iou h MET 40 Ca 0.12 0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.76 1iou h MET 40 Cb 0.27 0.11 0.01 0.00 0.06 0.00 0.00 31.60 32.04 1iou h MET 40 CO -0.00 -0.31 -0.33 1.15 1.06 0.00 0.00 176.91 178.47 1iou h THR 41 N -0.49 0.00 -0.96 2.22 2.02 -1.31 -0.80 112.91 113.59 1iou h THR 41 Ca -0.03 -0.19 0.29 0.00 0.77 0.00 0.00 66.41 67.24 1iou h THR 41 Cb 0.41 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.64 1iou h THR 41 CO 0.03 0.00 0.16 0.15 0.37 0.00 0.00 175.52 176.23 1iou h PHE 42 N -1.13 0.19 -0.26 3.16 3.57 -1.19 1.00 116.94 122.29 1iou h PHE 42 Ca -0.10 0.06 -0.18 0.00 3.53 0.00 0.00 57.97 61.29 1iou h PHE 42 Cb 0.71 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.53 1iou h PHE 42 CO 0.02 -0.39 -0.55 0.35 -2.23 0.00 0.00 178.31 175.51 1iou h PHE 43 N 0.05 0.98 -0.44 0.41 3.04 -1.41 -2.10 116.94 117.49 1iou h PHE 43 Ca 0.63 -0.35 -0.09 0.00 3.98 0.00 0.00 57.97 62.13 1iou h PHE 43 Cb 1.38 -0.18 -0.02 0.00 2.56 0.00 0.00 35.95 39.69 1iou h PHE 43 CO -0.36 1.16 -0.11 0.00 -2.02 0.00 0.00 178.31 176.97 1iou h ALA 44 N 0.77 0.98 -0.12 2.41 0.00 0.22 -1.08 119.26 122.44 1iou h ALA 44 Ca 0.01 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 1iou h ALA 44 Cb 1.15 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1iou h ALA 44 CO 0.12 0.60 -0.52 1.05 0.00 0.00 0.00 179.25 180.50 1iou h GLU 45 N 0.71 0.34 0.50 0.00 4.11 0.18 -2.76 114.58 117.66 1iou h GLU 45 Ca 0.12 -0.20 -0.02 0.00 0.07 0.00 0.00 59.36 59.33 1iou h GLU 45 Cb 0.59 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1iou h GLU 45 CO 0.04 0.78 -0.24 1.15 0.07 0.00 0.00 179.01 180.80 1iou h THR 46 N 0.26 0.40 -0.22 -1.06 2.02 -0.98 -0.97 112.91 112.37 1iou h THR 46 Ca 0.01 -0.39 0.03 0.00 0.77 0.00 0.00 66.41 66.83 1iou h THR 46 Cb 1.00 0.54 -0.06 0.00 -1.74 0.00 0.00 68.15 67.89 1iou h THR 46 CO 0.09 0.05 -0.48 -0.37 0.37 0.00 0.00 175.52 175.18 1iou h VAL 47 N -0.94 0.00 -0.49 3.16 -1.51 -1.21 2.57 116.25 117.83 1iou h VAL 47 Ca -0.07 0.00 0.14 0.00 -1.23 0.00 0.00 66.70 65.54 1iou h VAL 47 Cb 0.60 0.00 -0.02 0.00 -2.13 0.00 0.00 31.29 29.74 1iou h VAL 47 CO 0.11 0.00 0.36 0.00 -1.23 0.00 0.00 177.57 176.81 1iou h ALA 48 N -0.35 2.44 0.00 5.19 0.00 -1.56 1.69 119.26 126.67 1iou h ALA 48 Ca 0.04 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.75 1iou h ALA 48 Cb 0.56 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1iou h ALA 48 CO -0.44 -0.61 -0.88 1.03 0.00 0.00 0.00 179.25 178.35 1iou h SER 49 N 0.00 0.00 0.48 0.00 0.87 0.15 -3.31 113.55 111.74 1iou h SER 49 Ca 0.23 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.50 1iou h SER 49 Cb 0.95 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.86 1iou h SER 49 CO -0.00 0.88 -1.72 -2.11 -0.53 0.00 0.00 176.83 173.35 1iou n ARG 50 N -3.38 0.64 -2.41 2.24 1.85 0.81 -4.76 116.66 111.64 1iou n ARG 50 Ca 0.00 0.30 -0.42 0.00 -1.00 0.00 0.00 57.85 56.73 1iou n ARG 50 Cb 0.87 -1.79 -0.02 0.00 -1.05 0.00 0.00 32.46 30.46 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 -2.60 3.87 -0.00 8.89 2.01 0.53 -4.88 115.64 123.47 1iou s THR 51 Ca -0.05 0.81 -0.00 0.00 0.31 0.00 0.00 61.69 62.76 1iou s THR 51 Cb 0.08 -4.40 -0.01 0.00 0.01 0.00 0.00 72.50 68.18 1iou s THR 51 CO 0.82 -1.04 2.05 0.61 -0.69 0.00 0.00 174.62 176.38 1iou n GLY 52 N 5.16 2.52 1.34 4.40 0.00 -1.26 -4.85 105.19 112.51 1iou n GLY 52 Ca 0.13 -0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.25 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 1.52 -3.36 -1.09 4.61 0.00 -1.26 -4.81 120.51 116.13 1iou n ALA 53 Ca 0.01 0.80 -0.03 0.00 0.00 0.00 0.00 53.44 54.22 1iou n ALA 53 Cb 0.51 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 18.50 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 -4.10 0.60 3.51 0.00 0.00 -1.26 -4.98 105.19 98.96 1iou n GLY 54 Ca -0.08 -0.34 -0.15 0.00 0.00 0.00 0.00 46.02 45.45 1iou n GLY 54 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1iou s GLU 55 N -1.54 1.00 0.01 1.61 -1.05 -1.26 -5.08 118.70 112.40 1iou s GLU 55 Ca 0.00 0.05 -0.03 0.00 -0.15 0.00 0.00 54.97 54.84 1iou s GLU 55 Cb 0.00 0.47 -0.04 0.00 -0.44 0.00 0.00 34.13 34.12 1iou s GLU 55 CO 0.00 -0.35 0.22 1.03 0.95 0.00 0.00 175.26 177.11 1iou s ARG 56 N -1.82 3.48 -0.04 -4.83 0.52 -1.26 -3.74 118.95 111.26 1iou s ARG 56 Ca -0.06 -0.27 0.01 0.00 -0.52 0.00 0.00 55.73 54.90 1iou s ARG 56 Cb -0.00 -3.07 0.02 0.00 0.52 0.00 0.00 34.95 32.42 1iou s ARG 56 CO 0.03 0.65 -0.05 -0.65 0.02 0.00 0.00 175.30 175.29 1iou s GLN 57 N -2.03 0.85 -0.30 3.54 1.11 -0.66 -4.91 119.66 117.26 1iou s GLN 57 Ca 0.29 -0.13 0.02 0.00 0.01 0.00 0.00 55.36 55.56 1iou s GLN 57 Cb -0.13 -0.84 0.09 0.00 -1.01 0.00 0.00 33.01 31.12 1iou s GLN 57 CO 0.20 -0.06 0.02 -1.54 0.01 0.00 0.00 175.29 173.92 1iou s SER 58 N 0.82 4.35 -0.11 5.90 1.04 -1.24 0.36 113.70 124.82 1iou s SER 58 Ca -0.11 -1.73 -0.28 0.00 0.48 0.00 0.00 55.95 54.31 1iou s SER 58 Cb -0.14 -1.35 -0.02 0.00 0.10 0.00 0.00 66.02 64.61 1iou s SER 58 CO 0.00 -0.33 0.94 0.27 0.98 0.00 0.00 173.24 175.10 1iou s ILE 59 N 1.19 4.84 -0.36 -1.02 -0.00 0.11 -4.72 121.20 121.24 1iou s ILE 59 Ca 0.04 1.89 -0.09 0.00 -0.00 0.00 0.00 60.65 62.50 1iou s ILE 59 Cb -0.19 -4.25 0.04 0.00 -0.00 0.00 0.00 42.46 38.06 1iou s ILE 59 CO -0.11 0.04 0.17 -1.61 -0.00 0.00 0.00 174.94 173.43 1iou s GLU 60 N 1.88 2.71 0.36 0.37 2.02 -1.26 0.88 118.70 125.66 1iou s GLU 60 Ca 0.45 -1.16 0.09 0.00 0.02 0.00 0.00 54.97 54.37 1iou s GLU 60 Cb -0.18 -3.62 -0.05 0.00 0.10 0.00 0.00 34.13 30.38 1iou s GLU 60 CO 0.17 -0.71 0.05 -2.00 0.02 0.00 0.00 175.26 172.79 1iou s GLU 61 N 1.48 2.12 -0.46 1.61 2.12 -0.44 -5.00 118.70 120.13 1iou s GLU 61 Ca 0.00 -1.77 -0.05 0.00 0.36 0.00 0.00 54.97 53.52 1iou s GLU 61 Cb -0.20 -1.94 -0.11 0.00 0.26 0.00 0.00 34.13 32.14 1iou s GLU 61 CO 0.05 0.08 2.27 0.41 -0.54 0.00 0.00 175.26 177.53 1iou n GLY 62 N -1.02 2.66 0.26 -1.50 0.00 -1.26 -2.76 105.19 101.57 1iou n GLY 62 Ca -0.04 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1iou n GLY 62 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1iou n ASN 63 N 3.39 0.00 -3.04 1.61 3.02 -1.26 -5.17 115.26 113.81 1iou n ASN 63 Ca 0.36 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.87 1iou n ASN 63 Cb 0.35 0.06 0.02 0.00 -0.61 0.00 0.00 39.78 39.61 1iou n ASN 63 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1iou n TYR 64 N -1.31 -1.45 -4.18 3.10 0.18 -1.11 -4.88 117.16 107.51 1iou n TYR 64 Ca 0.00 -1.26 -0.22 0.00 1.88 0.00 0.00 57.90 58.30 1iou n TYR 64 Cb 0.00 0.62 -0.05 0.00 -0.38 0.00 0.00 39.34 39.52 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 -2.11 4.11 -0.36 -3.48 1.01 0.66 -1.33 121.20 119.69 1iou s ILE 65 Ca 0.20 -1.58 0.00 0.00 0.00 0.00 0.00 60.65 59.27 1iou s ILE 65 Cb -0.03 -3.21 0.14 0.00 0.01 0.00 0.00 42.46 39.37 1iou s ILE 65 CO 0.06 -0.36 0.21 -0.83 0.00 0.00 0.00 174.94 174.03 1iou s GLY 66 N -3.79 0.93 0.90 6.18 0.00 0.25 0.10 107.32 111.90 1iou s GLY 66 Ca 0.32 -1.93 -0.11 0.00 0.00 0.00 0.00 44.72 43.01 1iou s GLY 66 CO 0.23 2.05 1.11 0.30 0.00 0.00 0.00 173.10 176.79 1iou s HIS 67 N 1.00 1.95 -0.12 1.90 0.09 0.80 0.06 115.29 120.97 1iou s HIS 67 Ca 0.18 1.59 -0.16 0.00 -0.00 0.00 0.00 55.06 56.67 1iou s HIS 67 Cb -0.23 -3.21 0.04 0.00 -0.00 0.00 0.00 32.58 29.18 1iou s HIS 67 CO 0.01 -2.59 0.42 0.08 -0.00 0.00 0.00 174.74 172.66 1iou s VAL 68 N -2.74 0.01 -0.22 -0.90 1.01 1.11 -0.60 120.40 118.07 1iou s VAL 68 Ca 0.65 -0.11 -0.03 0.00 0.00 0.00 0.00 61.98 62.48 1iou s VAL 68 Cb -0.21 -0.64 0.11 0.00 0.00 0.00 0.00 36.38 35.65 1iou s VAL 68 CO 0.58 -0.06 0.31 -0.31 0.00 0.00 0.00 175.10 175.62 1iou s TYR 69 N -0.24 -0.58 0.18 5.22 1.51 -0.64 -1.65 117.35 121.16 1iou s TYR 69 Ca -0.04 0.61 0.08 0.00 -1.01 0.00 0.00 57.07 56.71 1iou s TYR 69 Cb -0.03 -0.13 -0.04 0.00 -0.11 0.00 0.00 41.96 41.65 1iou s TYR 69 CO 0.02 -0.65 -0.00 0.00 -1.11 0.00 0.00 175.55 173.82 1iou s ALA 70 N 2.45 3.20 0.41 3.71 0.00 -1.25 -1.67 121.76 128.62 1iou s ALA 70 Ca 0.09 -1.40 0.07 0.00 0.00 0.00 0.00 51.96 50.73 1iou s ALA 70 Cb -0.15 -0.97 -0.06 0.00 0.00 0.00 0.00 23.12 21.93 1iou s ALA 70 CO -0.14 0.46 0.11 1.03 0.00 0.00 0.00 175.76 177.22 1iou s ARG 71 N -3.02 2.12 -0.39 0.00 0.52 -1.26 -4.14 118.95 112.79 1iou s ARG 71 Ca 0.28 -1.94 -0.00 0.00 -0.52 0.00 0.00 55.73 53.54 1iou s ARG 71 Cb -0.09 -1.85 0.32 0.00 0.52 0.00 0.00 34.95 33.85 1iou s ARG 71 CO 0.19 -0.09 1.92 0.43 0.02 0.00 0.00 175.30 177.77 1iou n SER 72 N -1.13 6.02 -0.04 0.23 7.64 -1.26 -4.29 113.62 120.79 1iou n SER 72 Ca -0.03 -3.22 -0.08 0.00 1.01 0.00 0.00 58.87 56.55 1iou n SER 72 Cb 0.65 -0.96 -0.03 0.00 -1.01 0.00 0.00 64.21 62.87 1iou n SER 72 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1iou n GLU 73 N -0.16 0.29 0.00 1.43 4.71 -1.26 -5.07 120.64 120.57 1iou n GLU 73 Ca 0.40 0.12 0.00 0.00 -0.01 0.00 0.00 57.16 57.66 1iou n GLU 73 Cb 0.76 -0.99 0.00 0.00 -1.01 0.00 0.00 31.44 30.20 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 2.34 0.31 3.29 0.62 0.00 -1.26 -4.75 105.19 105.74 1iou n GLY 74 Ca -0.13 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 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 1.91 0.09 -0.61 -0.00 -1.26 -4.04 121.20 117.30 1iou s ILE 75 Ca 0.00 -1.20 0.09 0.00 -0.00 0.00 0.00 60.65 59.54 1iou s ILE 75 Cb 0.00 -1.62 -0.04 0.00 -0.00 0.00 0.00 42.46 40.80 1iou s ILE 75 CO 0.00 0.38 -0.20 0.00 -0.00 0.00 0.00 174.94 175.12 1iou s GLY 77 N -1.88 2.07 0.10 0.00 0.00 -0.67 -0.85 107.32 106.08 1iou s GLY 77 Ca 0.16 -0.80 0.10 0.00 0.00 0.00 0.00 44.72 44.18 1iou s GLY 77 CO 0.08 -0.66 -0.25 0.14 0.00 0.00 0.00 173.10 172.41 1iou s VAL 78 N -1.19 2.10 0.02 1.40 1.01 0.52 -1.61 120.40 122.64 1iou s VAL 78 Ca 0.22 -1.59 0.02 0.00 0.00 0.00 0.00 61.98 60.64 1iou s VAL 78 Cb -0.12 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 1iou s VAL 78 CO 0.13 0.14 -0.08 -0.76 0.00 0.00 0.00 175.10 174.54 1iou s LEU 79 N -1.76 2.11 -0.07 3.92 1.02 0.23 -1.04 118.68 123.09 1iou s LEU 79 Ca 0.12 -0.30 -0.00 0.00 0.02 0.00 0.00 54.13 53.96 1iou s LEU 79 Cb -0.10 -0.30 0.02 0.00 0.02 0.00 0.00 46.19 45.84 1iou s LEU 79 CO 0.04 -0.02 -0.04 0.27 0.02 0.00 0.00 176.35 176.62 1iou s ILE 80 N -0.65 0.61 0.27 -0.59 -4.36 0.21 0.28 121.20 116.97 1iou s ILE 80 Ca -0.02 -0.08 -0.11 0.00 -0.26 0.00 0.00 60.65 60.18 1iou s ILE 80 Cb -0.06 -0.68 -0.00 0.00 1.25 0.00 0.00 42.46 42.97 1iou s ILE 80 CO 0.00 0.28 0.49 0.28 0.24 0.00 0.00 174.94 176.23 1iou s THR 81 N 1.47 0.00 1.14 8.37 -1.32 0.28 -0.91 115.64 124.67 1iou s THR 81 Ca -0.02 -1.42 -0.16 0.00 -1.21 0.00 0.00 61.69 58.88 1iou s THR 81 Cb -0.13 -2.32 0.26 0.00 -1.51 0.00 0.00 72.50 68.79 1iou s THR 81 CO -0.03 0.00 1.07 -0.62 -2.21 0.00 0.00 174.62 172.82 1iou s ASP 82 N -3.06 1.38 0.46 8.08 -1.08 -1.26 0.24 116.67 121.43 1iou s ASP 82 Ca 0.24 1.03 0.30 0.00 -0.52 0.00 0.00 52.55 53.59 1iou s ASP 82 Cb -0.01 -1.56 1.20 0.00 -1.46 0.00 0.00 42.92 41.09 1iou s ASP 82 CO 0.11 -3.88 1.89 0.11 0.52 0.00 0.00 175.17 173.92 1iou h LYS 83 N -2.41 0.00 -0.92 4.34 1.57 -1.89 -2.77 116.57 114.50 1iou h LYS 83 Ca -0.52 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.15 1iou h LYS 83 Cb 1.32 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.57 1iou h LYS 83 CO 0.47 0.00 0.14 1.04 -0.57 0.00 0.00 179.45 180.53 1iou n GLN 84 N -2.84 2.05 -3.42 3.15 1.13 -1.26 -4.40 117.38 111.79 1iou n GLN 84 Ca 0.01 -1.27 -0.26 0.00 -1.94 0.00 0.00 57.00 53.54 1iou n GLN 84 Cb 0.30 -1.65 -0.09 0.00 0.11 0.00 0.00 30.24 28.91 1iou n GLN 84 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 1iou n TYR 85 N 0.03 0.49 -0.83 1.08 4.19 -1.04 -4.80 117.16 116.28 1iou n TYR 85 Ca 0.18 -3.65 -0.28 0.00 3.31 0.00 0.00 57.90 57.46 1iou n TYR 85 Cb 0.82 -0.17 0.02 0.00 0.49 0.00 0.00 39.34 40.50 1iou n TYR 85 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 1iou n PRO 86 N 2.02 0.00 0.15 2.98 -0.01 -1.26 -4.86 135.00 134.02 1iou n PRO 86 Ca 0.26 0.00 0.03 0.00 -0.01 0.00 0.00 63.50 63.77 1iou n PRO 86 Cb 0.46 -0.74 0.19 0.00 -0.01 0.00 0.00 33.50 33.40 1iou n PRO 86 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 175.50 175.77 1iou h VAL 87 N -0.39 1.04 -0.58 -1.45 2.07 -1.97 -3.33 116.25 111.64 1iou h VAL 87 Ca -0.32 -1.99 0.09 0.00 0.82 0.00 0.00 66.70 65.30 1iou h VAL 87 Cb 1.01 2.19 -0.11 0.00 -1.52 0.00 0.00 31.29 32.87 1iou h VAL 87 CO 0.24 0.50 -0.44 0.03 0.02 0.00 0.00 177.57 177.91 1iou h ARG 88 N 0.00 -0.22 0.00 1.57 3.08 -2.00 0.67 114.38 117.48 1iou h ARG 88 Ca -0.01 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1iou h ARG 88 Cb 1.15 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.24 1iou h ARG 88 CO 0.07 -0.15 -0.07 -1.00 -1.07 0.00 0.00 179.97 177.75 1iou h PRO 89 N -0.23 0.00 -0.05 0.04 0.13 -1.93 -0.28 132.00 129.67 1iou h PRO 89 Ca 0.17 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.19 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 -0.69 0.07 -0.50 0.00 -0.23 0.00 0.00 178.00 176.65 1iou h ALA 90 N 1.93 1.06 -0.08 -0.56 0.00 0.03 0.51 119.26 122.15 1iou h ALA 90 Ca -0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1iou h ALA 90 Cb 0.38 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1iou h ALA 90 CO 0.01 0.65 -0.02 -0.92 0.00 0.00 0.00 179.25 178.97 1iou h TYR 91 N 0.11 0.18 -0.52 0.00 5.03 0.13 0.28 116.97 122.18 1iou h TYR 91 Ca 0.00 -0.04 -0.02 0.00 2.58 0.00 0.00 58.73 61.25 1iou h TYR 91 Cb 0.93 -0.04 -0.02 0.00 1.55 0.00 0.00 36.73 39.14 1iou h TYR 91 CO 0.01 0.48 0.23 1.15 -1.32 0.00 0.00 178.16 178.71 1iou h THR 92 N -0.17 1.21 0.74 1.81 2.02 -1.14 0.27 112.91 117.64 1iou h THR 92 Ca 0.02 -0.61 -0.04 0.00 0.77 0.00 0.00 66.41 66.55 1iou h THR 92 Cb 0.42 0.65 0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1iou h THR 92 CO 0.01 0.24 -0.36 0.25 0.37 0.00 0.00 175.52 176.03 1iou h LEU 93 N 0.69 -0.85 0.00 2.58 6.46 0.11 -1.86 115.31 122.45 1iou h LEU 93 Ca 0.17 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.96 1iou h LEU 93 Cb 0.16 0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.31 1iou h LEU 93 CO -0.02 -0.58 0.00 -0.11 -0.62 0.00 0.00 178.44 177.11 1iou n LEU 94 N -4.82 0.00 0.14 2.25 -0.00 0.97 -2.21 117.00 113.33 1iou n LEU 94 Ca -0.12 0.45 -0.07 0.00 -0.00 0.00 0.00 56.01 56.27 1iou n LEU 94 Cb 0.39 -0.45 -0.03 0.00 -0.00 0.00 0.00 43.42 43.33 1iou n LEU 94 CO 0.30 -0.36 0.19 0.78 -0.00 0.00 0.00 177.39 178.30 1iou h ASN 95 N 0.00 -0.36 -0.52 1.96 4.21 0.35 -2.71 115.58 118.51 1iou h ASN 95 Ca 0.00 0.01 -0.02 0.00 1.21 0.00 0.00 56.30 57.50 1iou h ASN 95 Cb 0.09 0.09 -0.02 0.00 -1.12 0.00 0.00 38.32 37.36 1iou h ASN 95 CO 0.00 0.02 0.23 0.50 -1.29 0.00 0.00 177.43 176.89 1iou h LYS 96 N -0.99 0.76 -0.06 0.81 1.63 -1.24 -2.40 116.57 115.07 1iou h LYS 96 Ca -0.04 -0.12 0.04 0.00 -0.85 0.00 0.00 60.65 59.67 1iou h LYS 96 Cb 0.33 -0.13 -0.05 0.00 -0.60 0.00 0.00 32.23 31.78 1iou h LYS 96 CO 0.07 0.65 -0.27 0.97 -3.45 0.00 0.00 179.45 177.42 1iou h ILE 97 N 0.69 0.38 -0.66 2.00 2.10 -1.57 0.96 117.51 121.40 1iou h ILE 97 Ca 0.18 0.00 0.04 0.00 1.08 0.00 0.00 64.86 66.16 1iou h ILE 97 Cb 0.15 0.38 -0.05 0.00 -1.09 0.00 0.00 36.82 36.21 1iou h ILE 97 CO -0.02 0.00 0.39 -0.07 -1.08 0.00 0.00 178.15 177.37 1iou h LEU 98 N -0.38 0.61 -1.68 2.19 4.07 -1.42 1.56 115.31 120.27 1iou h LEU 98 Ca 0.08 0.02 -0.04 0.00 0.08 0.00 0.00 57.88 58.02 1iou h LEU 98 Cb 0.50 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.12 1iou h LEU 98 CO -0.28 0.41 -0.19 0.44 -1.08 0.00 0.00 178.44 177.74 1iou h ASP 99 N 0.74 0.00 1.21 -0.43 5.19 -0.83 -0.24 116.42 122.07 1iou h ASP 99 Ca 0.28 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.53 1iou h ASP 99 Cb 0.10 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.59 1iou h ASP 99 CO -0.14 0.19 -0.79 -0.08 -3.12 0.00 0.00 179.24 175.30 1iou h GLU 100 N 0.00 0.00 -0.01 3.56 4.22 0.44 -3.15 114.58 119.64 1iou h GLU 100 Ca -0.00 0.00 -0.11 0.00 0.08 0.00 0.00 59.36 59.33 1iou h GLU 100 Cb 0.39 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1iou h GLU 100 CO 0.02 0.76 -0.49 -0.92 -2.18 0.00 0.00 179.01 176.21 1iou h TYR 101 N 0.00 0.04 0.00 0.92 5.03 0.38 -2.80 116.97 120.54 1iou h TYR 101 Ca -0.01 -0.01 -0.13 0.00 2.58 0.00 0.00 58.73 61.16 1iou h TYR 101 Cb 1.60 -0.01 -0.02 0.00 1.55 0.00 0.00 36.73 39.85 1iou h TYR 101 CO 0.00 0.52 -0.61 -0.07 -1.32 0.00 0.00 178.16 176.68 1iou h LEU 102 N 0.03 0.00 0.01 2.82 3.38 -1.32 -3.31 115.31 116.91 1iou h LEU 102 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1iou h LEU 102 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1iou h LEU 102 CO 0.07 0.61 -0.00 0.58 0.09 0.00 0.00 178.44 179.78 1iou h VAL 103 N 0.00 1.43 -0.05 1.22 2.07 -1.46 -3.02 116.25 116.44 1iou h VAL 103 Ca -0.01 -1.34 0.01 0.00 0.82 0.00 0.00 66.70 66.19 1iou h VAL 103 Cb 1.28 2.34 -0.00 0.00 -1.52 0.00 0.00 31.29 33.38 1iou h VAL 103 CO 0.08 0.35 0.70 0.00 0.02 0.00 0.00 177.57 178.72 1iou h ALA 104 N 0.40 1.75 -1.30 1.67 0.00 -1.61 -3.39 119.26 116.78 1iou h ALA 104 Ca -0.00 -0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.06 1iou h ALA 104 Cb 0.57 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 18.07 1iou h ALA 104 CO 0.00 -0.73 0.58 -3.38 0.00 0.00 0.00 179.25 175.73 1iou s HIS 105 N -4.07 -0.31 0.33 0.00 0.00 -1.14 -4.98 115.29 105.11 1iou s HIS 105 Ca -0.02 0.64 -0.09 0.00 -3.00 0.00 0.00 55.06 52.59 1iou s HIS 105 Cb 0.05 0.22 -0.08 0.00 -4.00 0.00 0.00 32.58 28.77 1iou s HIS 105 CO 0.15 -0.15 -0.16 -2.30 -1.00 0.00 0.00 174.74 171.28 1iou n PRO 106 N 3.21 0.00 -0.07 -0.38 -0.02 -1.20 -4.49 135.00 132.05 1iou n PRO 106 Ca -0.17 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.20 1iou n PRO 106 Cb 0.57 -0.51 -0.08 0.00 -0.02 0.00 0.00 33.50 33.46 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 -0.14 -0.35 0.00 -0.52 6.56 -1.95 -2.28 116.57 117.89 1iou h LYS 107 Ca -0.21 0.02 -0.11 0.00 -1.06 0.00 0.00 60.65 59.29 1iou h LYS 107 Cb 0.73 0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 32.45 1iou h LYS 107 CO 0.19 -0.23 -0.50 1.05 -2.06 0.00 0.00 179.45 177.90 1iou h GLU 108 N -0.36 0.00 -0.99 3.15 4.11 -1.95 -3.21 114.58 115.33 1iou h GLU 108 Ca 0.04 0.00 0.35 0.00 0.07 0.00 0.00 59.36 59.83 1iou h GLU 108 Cb 0.48 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.56 1iou h GLU 108 CO -0.40 0.50 0.43 1.49 0.07 0.00 0.00 179.01 181.10 1iou h GLU 109 N 0.00 0.09 0.00 1.06 4.81 -1.70 -2.77 114.58 116.07 1iou h GLU 109 Ca -0.01 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1iou h GLU 109 Cb 1.08 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.44 1iou h GLU 109 CO 0.07 0.06 -0.54 -2.67 -0.73 0.00 0.00 179.01 175.20 1iou n TRP 110 N -5.25 0.78 -2.31 0.92 4.27 -1.22 -4.79 117.44 109.85 1iou n TRP 110 Ca 0.32 0.34 -0.03 0.00 -3.89 0.00 0.00 57.50 54.25 1iou n TRP 110 Cb 1.07 -0.71 -0.00 0.00 -1.36 0.00 0.00 31.31 30.30 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 -3.66 -0.84 0.00 -1.67 0.00 -1.05 0.11 120.51 113.40 1iou n ALA 111 Ca -0.08 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1iou n ALA 111 Cb 0.28 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 -1.28 0.00 0.00 0.00 9.92 -1.26 -4.69 116.55 119.24 1iou n ASP 112 Ca -0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.23 1iou n ASP 112 Cb 0.47 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.95 1iou n ASP 112 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1iou n VAL 113 N 0.00 0.00 -0.43 2.53 0.31 0.29 -4.62 118.33 116.41 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 -2.73 2.52 -2.24 -1.26 -4.72 114.28 105.85 1iou n THR 114 Ca 0.00 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 1iou n THR 114 Cb 0.00 -0.15 0.05 0.00 -2.10 0.00 0.00 70.33 68.13 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 -2.00 0.62 -0.84 -0.78 0.28 -1.26 -5.14 120.64 111.52 1iou n GLU 115 Ca 0.00 -1.53 -0.35 0.00 -0.16 0.00 0.00 57.16 55.12 1iou n GLU 115 Cb 0.00 -1.20 0.10 0.00 1.43 0.00 0.00 31.44 31.77 1iou n GLU 115 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 1iou n THR 116 N 1.72 0.00 0.04 3.84 5.66 -1.26 -4.90 114.28 119.38 1iou n THR 116 Ca 0.08 -0.22 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 1iou n THR 116 Cb 0.64 -0.34 0.00 0.00 -1.55 0.00 0.00 70.33 69.08 1iou n THR 116 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1iou n ASN 117 N 0.66 -0.80 0.03 1.09 0.23 -1.26 -4.94 115.26 110.27 1iou n ASN 117 Ca 0.00 0.38 -0.19 0.00 -0.53 0.00 0.00 54.58 54.24 1iou n ASN 117 Cb 0.64 1.01 -0.12 0.00 -2.08 0.00 0.00 39.78 39.23 1iou n ASN 117 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1iou h ASP 118 N 0.00 0.64 -0.37 0.53 3.32 -1.90 -3.25 116.42 115.38 1iou h ASP 118 Ca 0.00 -0.79 -0.03 0.00 0.02 0.00 0.00 57.03 56.23 1iou h ASP 118 Cb 0.00 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 1iou h ASP 118 CO 0.00 1.36 0.15 0.00 -1.72 0.00 0.00 179.24 179.03 1iou h ALA 119 N 0.30 1.46 0.00 3.45 0.00 -1.94 -0.82 119.26 121.71 1iou h ALA 119 Ca -0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1iou h ALA 119 Cb 1.51 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1iou h ALA 119 CO 0.16 0.41 -0.04 1.25 0.00 0.00 0.00 179.25 181.02 1iou h LEU 120 N 0.62 0.00 -3.19 0.00 6.46 -0.50 -1.53 115.31 117.16 1iou h LEU 120 Ca 0.15 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.86 1iou h LEU 120 Cb 0.16 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.06 1iou h LEU 120 CO -0.01 0.04 -0.08 1.17 -0.62 0.00 0.00 178.44 178.94 1iou n LYS 121 N -3.89 2.03 -1.73 1.25 4.81 -0.42 -4.56 118.16 115.66 1iou n LYS 121 Ca -0.03 -2.93 -0.18 0.00 -0.87 0.00 0.00 58.31 54.31 1iou n LYS 121 Cb 0.13 -1.72 -0.09 0.00 0.02 0.00 0.00 35.03 33.37 1iou n LYS 121 CO 0.00 0.00 0.00 1.41 1.17 0.00 0.00 177.40 179.98 1iou s MET 122 N -3.01 1.64 0.45 1.64 1.75 -0.58 -4.73 119.30 116.46 1iou s MET 122 Ca 0.40 -0.37 0.26 0.00 -1.25 0.00 0.00 55.69 54.73 1iou s MET 122 Cb 0.35 -5.00 1.30 0.00 2.84 0.00 0.00 34.83 34.32 1iou s MET 122 CO 0.03 -4.80 1.74 0.87 -0.65 0.00 0.00 175.02 172.21 1iou h LYS 123 N 11.45 0.22 0.46 4.11 1.57 -1.89 -1.37 116.57 131.11 1iou h LYS 123 Ca 0.06 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1iou h LYS 123 Cb 0.99 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.25 1iou h LYS 123 CO 1.07 0.14 -0.23 1.96 -0.57 0.00 0.00 179.45 181.82 1iou h GLN 124 N 0.22 -0.61 -1.23 3.15 7.50 -1.98 0.48 115.11 122.65 1iou h GLN 124 Ca 0.65 0.04 0.37 0.00 0.50 0.00 0.00 58.65 60.20 1iou h GLN 124 Cb 1.98 0.14 -0.10 0.00 0.05 0.00 0.00 27.48 29.55 1iou h GLN 124 CO -0.25 -0.41 0.81 1.25 -1.50 0.00 0.00 178.83 178.73 1iou h LEU 125 N -0.64 0.28 0.02 1.46 6.46 -1.66 0.86 115.31 122.09 1iou h LEU 125 Ca -0.06 0.09 -0.23 0.00 -0.12 0.00 0.00 57.88 57.56 1iou h LEU 125 Cb 0.49 0.06 0.02 0.00 -0.73 0.00 0.00 40.66 40.50 1iou h LEU 125 CO 0.10 -0.05 -0.92 0.44 -0.62 0.00 0.00 178.44 177.39 1iou h ASP 126 N 0.19 0.78 0.40 1.25 3.32 -1.08 -2.62 116.42 118.66 1iou h ASP 126 Ca 0.71 -0.76 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 1iou h ASP 126 Cb 2.19 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 41.49 1iou h ASP 126 CO -0.30 1.44 -0.22 0.74 -1.72 0.00 0.00 179.24 179.18 1iou h THR 127 N 0.20 0.87 0.23 0.35 2.02 0.54 -1.32 112.91 115.80 1iou h THR 127 Ca -0.12 -0.86 -0.01 0.00 0.77 0.00 0.00 66.41 66.19 1iou h THR 127 Cb 1.60 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 69.52 1iou h THR 127 CO 0.18 0.22 -0.11 1.88 0.37 0.00 0.00 175.52 178.06 1iou h TYR 128 N 0.00 -0.29 -0.05 3.16 -1.99 0.03 -2.13 116.97 115.70 1iou h TYR 128 Ca -0.00 -0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.73 1iou h TYR 128 Cb 0.48 0.09 -0.00 0.00 2.00 0.00 0.00 36.73 39.31 1iou h TYR 128 CO 0.00 -0.18 0.06 0.97 -0.00 0.00 0.00 178.16 179.01 1iou h ILE 129 N -1.00 0.43 -0.00 -2.88 -0.00 -1.49 1.17 117.51 113.74 1iou h ILE 129 Ca -0.03 0.00 -0.09 0.00 -0.00 0.00 0.00 64.86 64.74 1iou h ILE 129 Cb 0.24 0.95 0.01 0.00 -0.00 0.00 0.00 36.82 38.01 1iou h ILE 129 CO 0.05 0.00 -0.36 -1.28 -0.00 0.00 0.00 178.15 176.56 1iou h SER 130 N 0.00 0.33 0.94 2.19 0.87 -1.29 -3.10 113.55 113.47 1iou h SER 130 Ca 0.02 -0.77 -0.22 0.00 -1.23 0.00 0.00 61.79 59.60 1iou h SER 130 Cb 0.15 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 61.98 1iou h SER 130 CO -0.00 1.05 -1.10 0.07 -0.53 0.00 0.00 176.83 176.31 1iou h LYS 131 N -0.36 0.00 0.00 2.24 5.09 -0.69 -3.20 116.57 119.64 1iou h LYS 131 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.70 1iou h LYS 131 Cb 1.10 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.43 1iou h LYS 131 CO 0.07 0.85 0.00 0.66 -2.09 0.00 0.00 179.45 178.94 1iou n TYR 132 N -3.27 0.22 0.30 0.07 4.01 0.40 -3.65 117.16 115.24 1iou n TYR 132 Ca -0.03 0.09 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 1iou n TYR 132 Cb 0.94 -0.65 0.03 0.00 -0.31 0.00 0.00 39.34 39.35 1iou n TYR 132 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 1iou h GLN 133 N 0.00 0.00 -6.77 -0.72 4.15 -1.54 -3.40 115.11 106.84 1iou h GLN 133 Ca 0.00 0.00 -0.45 0.00 0.77 0.00 0.00 58.65 58.97 1iou h GLN 133 Cb 0.24 0.00 0.04 0.00 0.21 0.00 0.00 27.48 27.97 1iou h GLN 133 CO 0.00 0.00 -0.07 -0.51 -1.93 0.00 0.00 178.83 176.32 1iou s ASP 134 N -2.94 5.51 0.31 -0.69 1.01 -1.24 -3.90 116.67 114.73 1iou s ASP 134 Ca -0.00 0.10 0.04 0.00 0.71 0.00 0.00 52.55 53.40 1iou s ASP 134 Cb 0.00 -1.13 0.51 0.00 1.01 0.00 0.00 42.92 43.31 1iou s ASP 134 CO 0.01 -0.95 1.79 1.55 0.21 0.00 0.00 175.17 177.78 1iou h PRO 135 N 0.22 0.46 -0.16 8.23 0.13 -1.87 -3.40 132.00 135.60 1iou h PRO 135 Ca -0.44 -0.14 -0.14 0.00 -0.87 0.00 0.00 66.00 64.41 1iou h PRO 135 Cb 1.28 -0.04 -0.14 0.00 0.13 0.00 0.00 31.00 32.22 1iou h PRO 135 CO 0.54 0.61 -0.33 0.43 -0.23 0.00 0.00 178.00 179.03 1iou n SER 136 N -4.18 -2.39 -0.36 1.44 7.64 -1.26 -4.81 113.62 109.70 1iou n SER 136 Ca 0.00 -2.59 0.37 0.00 1.01 0.00 0.00 58.87 57.66 1iou n SER 136 Cb 0.34 1.40 0.69 0.00 -1.01 0.00 0.00 64.21 65.63 1iou n SER 136 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 1iou h GLN 137 N 3.92 0.00 -0.86 1.43 -0.00 -1.86 -3.44 115.11 114.30 1iou h GLN 137 Ca -0.13 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.46 1iou h GLN 137 Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.59 1iou h GLN 137 CO 0.09 0.00 -0.08 0.00 -0.00 0.00 0.00 178.83 178.84 1iou n ALA 138 N -2.62 -0.12 -2.56 0.06 0.00 -1.26 -3.32 120.51 110.69 1iou n ALA 138 Ca 0.29 0.04 -0.21 0.00 0.00 0.00 0.00 53.44 53.55 1iou n ALA 138 Cb 1.49 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 1.23 -5.90 0.00 0.00 2.03 -1.26 -5.29 116.55 107.35 1iou n ASP 139 Ca -0.02 -0.09 0.13 0.00 0.52 0.00 0.00 54.79 55.33 1iou n ASP 139 Cb 0.52 -4.86 0.79 0.00 -0.72 0.00 0.00 41.12 36.85 1iou n ASP 139 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28