#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iac s ALA 2 N 0.00 2.83 0.35 0.00 0.00 0.11 -1.14 121.76 123.91 1iac s ALA 2 Ca 0.00 -1.80 -0.28 0.00 0.00 0.00 0.00 51.96 49.88 1iac s ALA 2 Cb 0.00 -0.39 -0.12 0.00 0.00 0.00 0.00 23.12 22.61 1iac s ALA 2 CO 0.00 0.29 1.43 1.51 0.00 0.00 0.00 175.76 178.99 1iac n ILE 3 N -0.59 1.85 -2.68 0.00 3.06 -0.46 -1.15 119.36 119.38 1iac n ILE 3 Ca -0.06 -0.46 -0.37 0.00 -2.50 0.00 0.00 62.75 59.35 1iac n ILE 3 Cb 0.59 -1.81 -0.06 0.00 0.54 0.00 0.00 39.64 38.90 1iac n ILE 3 CO 0.00 0.00 0.00 -0.76 -2.50 0.00 0.00 176.55 173.29 1iac s LEU 4 N -1.44 4.34 0.00 9.51 1.43 -1.26 -4.68 118.68 126.58 1iac s LEU 4 Ca 0.56 1.94 0.00 0.00 -1.03 0.00 0.00 54.13 55.60 1iac s LEU 4 Cb -0.52 -3.99 0.00 0.00 0.03 0.00 0.00 46.19 41.72 1iac s LEU 4 CO 0.61 -0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.64 1iac n GLY 5 N 0.64 0.93 0.30 -3.19 0.00 -1.26 -4.82 105.19 97.78 1iac n GLY 5 Ca 0.02 -0.97 0.20 0.00 0.00 0.00 0.00 46.02 45.27 1iac n GLY 5 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1iac h ASP 6 N 0.00 0.00 -0.01 1.61 3.32 -1.99 -2.03 116.42 117.32 1iac h ASP 6 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1iac h ASP 6 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1iac h ASP 6 CO 0.00 0.00 0.06 -0.33 -1.72 0.00 0.00 179.24 177.25 1iac h GLU 7 N 0.00 0.00 -0.58 3.56 3.07 -1.98 -1.87 114.58 116.78 1iac h GLU 7 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1iac h GLU 7 Cb 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 1iac h GLU 7 CO 0.00 0.00 0.00 0.66 -1.40 0.00 0.00 179.01 178.27 1iac n TYR 8 N -3.18 0.77 -3.25 4.33 4.01 -0.76 -4.87 117.16 114.21 1iac n TYR 8 Ca -0.03 -0.38 -0.33 0.00 -0.16 0.00 0.00 57.90 57.00 1iac n TYR 8 Cb 0.13 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.10 1iac n TYR 8 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1iac s LEU 9 N -1.10 4.18 -0.07 7.72 1.02 -0.70 -0.70 118.68 129.03 1iac s LEU 9 Ca 0.42 1.17 -0.30 0.00 0.02 0.00 0.00 54.13 55.43 1iac s LEU 9 Cb 0.22 -3.77 -0.03 0.00 0.02 0.00 0.00 46.19 42.63 1iac s LEU 9 CO 0.29 -0.09 1.19 0.26 0.02 0.00 0.00 176.35 178.02 1iac s TRP 10 N -1.79 3.20 0.23 0.29 0.52 -1.26 -4.80 118.94 115.34 1iac s TRP 10 Ca 0.48 1.24 -0.31 0.00 0.02 0.00 0.00 56.10 57.52 1iac s TRP 10 Cb -0.12 -3.41 -0.12 0.00 -1.15 0.00 0.00 33.47 28.68 1iac s TRP 10 CO 0.19 -1.24 1.68 -1.12 0.02 0.00 0.00 176.95 176.48 1iac s SER 11 N 1.47 6.38 0.00 2.95 0.01 -1.26 -0.73 113.70 122.52 1iac s SER 11 Ca 0.55 2.89 0.00 0.00 1.31 0.00 0.00 55.95 60.70 1iac s SER 11 Cb -0.24 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.38 1iac s SER 11 CO 0.21 -0.95 0.00 0.61 0.41 0.00 0.00 173.24 173.52 1iac n GLY 12 N 3.40 0.18 2.39 3.44 0.00 -1.25 -2.19 105.19 111.15 1iac n GLY 12 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 1iac n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iac n GLY 13 N -0.56 1.34 3.72 -0.02 0.00 0.09 -4.46 105.19 105.31 1iac n GLY 13 Ca 0.00 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 1iac n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iac s VAL 14 N -2.52 5.37 -0.30 1.61 1.01 -0.93 -1.18 120.40 123.47 1iac s VAL 14 Ca 0.00 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.19 1iac s VAL 14 Cb 0.00 -3.46 0.08 0.00 0.00 0.00 0.00 36.38 33.00 1iac s VAL 14 CO 0.00 0.43 -0.03 -0.63 0.00 0.00 0.00 175.10 174.87 1iac s ILE 15 N 0.45 2.21 0.20 2.22 1.01 0.36 -4.53 121.20 123.13 1iac s ILE 15 Ca 0.08 -1.98 -0.30 0.00 0.00 0.00 0.00 60.65 58.44 1iac s ILE 15 Cb -0.11 -2.47 -0.09 0.00 0.01 0.00 0.00 42.46 39.79 1iac s ILE 15 CO -0.01 -0.31 1.42 -2.84 0.00 0.00 0.00 174.94 173.19 1iac s PRO 16 N 1.01 4.30 0.16 2.79 0.02 -1.26 -1.26 135.00 140.77 1iac s PRO 16 Ca 0.01 2.21 0.06 0.00 0.02 0.00 0.00 61.00 63.30 1iac s PRO 16 Cb -0.19 -3.16 -0.04 0.00 0.02 0.00 0.00 34.50 31.12 1iac s PRO 16 CO -0.07 -0.40 -0.12 1.52 -0.33 0.00 0.00 177.00 177.59 1iac s TYR 17 N 0.34 1.45 0.13 6.54 1.13 -0.09 -0.74 117.35 126.11 1iac s TYR 17 Ca 0.61 -0.65 0.06 0.00 -1.41 0.00 0.00 57.07 55.68 1iac s TYR 17 Cb -0.40 -0.71 -0.04 0.00 -1.10 0.00 0.00 41.96 39.71 1iac s TYR 17 CO 0.38 0.19 -0.15 0.95 -2.51 0.00 0.00 175.55 174.42 1iac s THR 18 N -2.95 1.45 -0.22 -3.49 -4.23 0.92 -1.03 115.64 106.10 1iac s THR 18 Ca 0.17 -1.78 -0.08 0.00 -1.18 0.00 0.00 61.69 58.83 1iac s THR 18 Cb -0.00 -1.62 -0.04 0.00 1.34 0.00 0.00 72.50 72.18 1iac s THR 18 CO 0.03 -0.40 0.08 -0.36 -0.54 0.00 0.00 174.62 173.43 1iac s PHE 19 N -2.15 3.18 -0.50 3.99 0.08 -1.26 -0.80 117.98 120.51 1iac s PHE 19 Ca 0.11 -0.11 -0.09 0.00 0.12 0.00 0.00 56.93 56.96 1iac s PHE 19 Cb -0.05 -2.18 0.13 0.00 -0.57 0.00 0.00 43.02 40.35 1iac s PHE 19 CO 0.04 -0.08 0.38 0.00 -0.10 0.00 0.00 175.22 175.45 1iac s ALA 20 N 1.02 3.44 -0.42 5.36 0.00 -0.38 -4.71 121.76 126.08 1iac s ALA 20 Ca 0.04 -2.65 -0.02 0.00 0.00 0.00 0.00 51.96 49.34 1iac s ALA 20 Cb -0.14 -2.84 0.00 0.00 0.00 0.00 0.00 23.12 20.14 1iac s ALA 20 CO 0.03 -1.94 0.28 0.41 0.00 0.00 0.00 175.76 174.53 1iac n GLY 21 N 4.73 0.45 3.61 0.00 0.00 -1.26 -4.42 105.19 108.30 1iac n GLY 21 Ca -0.05 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.17 1iac n GLY 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iac s VAL 22 N -2.94 4.24 0.85 1.61 1.01 -1.26 -4.68 120.40 119.23 1iac s VAL 22 Ca 0.14 -0.25 -0.11 0.00 0.00 0.00 0.00 61.98 61.75 1iac s VAL 22 Cb -0.06 -2.83 0.10 0.00 0.00 0.00 0.00 36.38 33.59 1iac s VAL 22 CO 0.17 0.54 1.09 -0.94 0.00 0.00 0.00 175.10 175.96 1iac s SER 23 N -0.22 3.96 0.15 3.32 1.04 -1.26 -4.77 113.70 115.91 1iac s SER 23 Ca 0.05 1.44 -0.17 0.00 0.48 0.00 0.00 55.95 57.75 1iac s SER 23 Cb -0.12 -2.15 0.03 0.00 0.10 0.00 0.00 66.02 63.88 1iac s SER 23 CO 0.02 -2.33 1.76 1.23 0.98 0.00 0.00 173.24 174.90 1iac h GLY 24 N -1.33 0.40 1.57 7.32 0.00 -1.98 -0.13 103.07 108.92 1iac h GLY 24 Ca -0.48 -0.08 -0.06 0.00 0.00 0.00 0.00 47.33 46.71 1iac h GLY 24 CO 0.56 0.04 -0.07 0.00 0.00 0.00 0.00 176.54 177.07 1iac h ALA 25 N 1.19 1.28 -0.37 3.60 0.00 -1.99 -1.10 119.26 121.87 1iac h ALA 25 Ca 0.14 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 1iac h ALA 25 Cb 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1iac h ALA 25 CO -0.13 0.48 -0.19 -0.44 0.00 0.00 0.00 179.25 178.96 1iac h ASP 26 N 0.49 0.81 -0.69 0.00 3.32 -1.79 -2.07 116.42 116.49 1iac h ASP 26 Ca 0.10 -0.41 0.06 0.00 0.02 0.00 0.00 57.03 56.80 1iac h ASP 26 Cb 0.43 -0.22 -0.06 0.00 0.22 0.00 0.00 39.33 39.70 1iac h ASP 26 CO 0.02 1.04 0.39 1.56 -1.72 0.00 0.00 179.24 180.54 1iac h GLN 27 N 0.58 0.70 -0.82 3.56 4.20 -0.68 0.56 115.11 123.19 1iac h GLN 27 Ca 0.08 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 1iac h GLN 27 Cb 0.74 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.33 1iac h GLN 27 CO 0.06 0.46 0.39 0.77 -0.67 0.00 0.00 178.83 179.84 1iac h SER 28 N 0.72 1.08 -0.53 1.46 0.02 -1.15 0.14 113.55 115.30 1iac h SER 28 Ca 0.31 -0.13 -0.10 0.00 -0.84 0.00 0.00 61.79 61.02 1iac h SER 28 Cb 0.19 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 1iac h SER 28 CO -0.18 0.92 -0.06 0.00 -1.14 0.00 0.00 176.83 176.37 1iac h ALA 29 N 1.24 0.73 -0.30 3.77 0.00 -0.62 -1.52 119.26 122.57 1iac h ALA 29 Ca 0.28 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1iac h ALA 29 Cb 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1iac h ALA 29 CO -0.03 0.60 -0.11 0.82 0.00 0.00 0.00 179.25 180.52 1iac h ILE 30 N 0.86 1.29 -0.74 0.00 2.04 -0.59 -2.24 117.51 118.13 1iac h ILE 30 Ca 0.14 -1.18 0.07 0.00 1.00 0.00 0.00 64.86 64.89 1iac h ILE 30 Cb 0.61 1.44 -0.05 0.00 -0.74 0.00 0.00 36.82 38.08 1iac h ILE 30 CO 0.04 0.38 0.48 -0.07 0.00 0.00 0.00 178.15 178.98 1iac h LEU 31 N 0.36 0.65 -1.01 1.44 4.07 -0.67 -1.29 115.31 118.87 1iac h LEU 31 Ca 0.07 0.01 -0.08 0.00 0.08 0.00 0.00 57.88 57.96 1iac h LEU 31 Cb 0.62 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.21 1iac h LEU 31 CO 0.04 0.41 -0.12 0.28 -1.08 0.00 0.00 178.44 177.97 1iac h SER 32 N 0.73 0.56 -0.36 -0.43 0.02 -0.72 -2.02 113.55 111.34 1iac h SER 32 Ca 0.32 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1iac h SER 32 Cb 0.32 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 1iac h SER 32 CO -0.11 0.72 0.19 1.23 -1.14 0.00 0.00 176.83 177.72 1iac h GLY 33 N 0.95 0.55 1.20 -3.77 0.00 -0.84 -2.63 103.07 98.53 1iac h GLY 33 Ca 0.10 -0.25 0.03 0.00 0.00 0.00 0.00 47.33 47.20 1iac h GLY 33 CO 0.03 0.24 0.46 -0.33 0.00 0.00 0.00 176.54 176.95 1iac h MET 34 N 0.46 0.82 -0.12 4.80 2.07 -1.08 -3.03 114.93 118.85 1iac h MET 34 Ca 0.13 -0.05 -0.02 0.00 -2.07 0.00 0.00 59.70 57.69 1iac h MET 34 Cb 0.07 -0.19 -0.00 0.00 -1.87 0.00 0.00 31.60 29.61 1iac h MET 34 CO -0.02 0.54 0.01 0.37 1.07 0.00 0.00 176.91 178.88 1iac h GLN 35 N 0.85 0.20 -0.56 1.72 4.15 -1.04 -1.09 115.11 119.33 1iac h GLN 35 Ca 0.28 -0.06 0.11 0.00 0.77 0.00 0.00 58.65 59.74 1iac h GLN 35 Cb 0.06 -0.02 -0.08 0.00 0.21 0.00 0.00 27.48 27.64 1iac h GLN 35 CO -0.08 0.42 0.08 1.49 -1.93 0.00 0.00 178.83 178.82 1iac h GLU 36 N -0.05 0.20 -0.71 1.69 4.81 -1.42 0.66 114.58 119.76 1iac h GLU 36 Ca 0.03 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1iac h GLU 36 Cb 0.33 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 1iac h GLU 36 CO 0.00 0.13 0.45 -0.07 -0.73 0.00 0.00 179.01 178.80 1iac h LEU 37 N 0.21 0.74 -0.77 1.64 3.38 -1.38 -1.31 115.31 117.82 1iac h LEU 37 Ca 0.29 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.16 1iac h LEU 37 Cb 0.43 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1iac h LEU 37 CO -0.41 0.52 -0.45 -0.33 0.09 0.00 0.00 178.44 177.86 1iac h GLU 38 N 0.88 0.00 -0.16 1.13 5.08 -0.57 0.36 114.58 121.30 1iac h GLU 38 Ca 0.28 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.50 1iac h GLU 38 Cb 0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1iac h GLU 38 CO -0.10 0.45 -0.53 0.93 -1.00 0.00 0.00 179.01 178.75 1iac h GLU 39 N 0.00 0.46 0.00 2.33 5.08 -0.39 -3.34 114.58 118.71 1iac h GLU 39 Ca -0.00 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1iac h GLU 39 Cb 1.01 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1iac h GLU 39 CO 0.06 0.87 -1.73 1.63 -1.00 0.00 0.00 179.01 178.84 1iac n LYS 40 N -3.96 0.54 -4.33 2.33 5.02 -0.54 -5.00 118.16 112.22 1iac n LYS 40 Ca -0.03 -0.14 -0.17 0.00 -2.02 0.00 0.00 58.31 55.96 1iac n LYS 40 Cb 0.58 -1.54 -0.10 0.00 -0.02 0.00 0.00 35.03 33.95 1iac n LYS 40 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1iac s THR 41 N -3.41 0.65 -1.88 -0.18 -4.23 0.13 -4.84 115.64 101.87 1iac s THR 41 Ca -0.04 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.76 1iac s THR 41 Cb 0.14 -2.61 0.78 0.00 1.34 0.00 0.00 72.50 72.15 1iac s THR 41 CO 0.89 -0.04 2.10 0.00 -0.54 0.00 0.00 174.62 177.03 1iac s ILE 43 N -2.12 3.33 -0.05 0.00 -1.09 -1.26 -4.86 121.20 115.15 1iac s ILE 43 Ca 0.41 1.27 0.03 0.00 -2.23 0.00 0.00 60.65 60.13 1iac s ILE 43 Cb 0.20 -3.81 0.01 0.00 -1.58 0.00 0.00 42.46 37.28 1iac s ILE 43 CO 0.37 0.27 -0.12 -0.13 -1.23 0.00 0.00 174.94 174.10 1iac s ARG 44 N -1.15 1.44 -0.22 2.79 1.81 -0.32 -4.34 118.95 118.95 1iac s ARG 44 Ca 0.48 -0.40 -0.08 0.00 -1.72 0.00 0.00 55.73 54.01 1iac s ARG 44 Cb -0.34 -1.25 -0.04 0.00 -0.45 0.00 0.00 34.95 32.87 1iac s ARG 44 CO 0.42 0.09 0.09 -0.06 -0.68 0.00 0.00 175.30 175.16 1iac s PHE 45 N 0.40 3.19 0.05 -0.53 0.08 -1.26 -0.49 117.98 119.42 1iac s PHE 45 Ca -0.09 -0.09 0.07 0.00 0.12 0.00 0.00 56.93 56.94 1iac s PHE 45 Cb -0.13 -2.18 -0.03 0.00 -0.57 0.00 0.00 43.02 40.12 1iac s PHE 45 CO 0.02 -0.08 -0.20 0.14 -0.10 0.00 0.00 175.22 175.01 1iac s VAL 46 N 1.03 1.60 0.05 -0.44 -7.23 -0.39 -4.93 120.40 110.10 1iac s VAL 46 Ca 0.05 -1.21 -0.35 0.00 -1.81 0.00 0.00 61.98 58.66 1iac s VAL 46 Cb -0.14 -1.40 -0.14 0.00 0.56 0.00 0.00 36.38 35.26 1iac s VAL 46 CO 0.03 0.15 1.64 -2.65 -0.31 0.00 0.00 175.10 173.96 1iac n PRO 47 N 1.78 1.95 -2.06 4.82 -0.02 -1.26 -0.91 135.00 139.30 1iac n PRO 47 Ca -0.18 0.71 -0.42 0.00 -2.02 0.00 0.00 63.50 61.59 1iac n PRO 47 Cb 0.53 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 1iac n PRO 47 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1iac s ARG 48 N 1.89 4.26 0.00 -0.52 3.00 -0.19 -4.73 118.95 122.65 1iac s ARG 48 Ca 0.85 2.20 0.00 0.00 -1.00 0.00 0.00 55.73 57.78 1iac s ARG 48 Cb -0.75 -3.32 0.00 0.00 0.00 0.00 0.00 34.95 30.88 1iac s ARG 48 CO 0.45 -0.56 0.00 0.25 0.00 0.00 0.00 175.30 175.43 1iac n THR 49 N 4.19 0.00 0.57 4.11 -2.24 -1.26 -4.94 114.28 114.70 1iac n THR 49 Ca 0.13 0.10 0.06 0.00 -2.27 0.00 0.00 64.05 62.07 1iac n THR 49 Cb 0.41 -0.94 0.01 0.00 -2.10 0.00 0.00 70.33 67.70 1iac n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1iac n THR 50 N -1.82 0.00 -2.36 4.28 -2.24 -1.26 -5.03 114.28 105.85 1iac n THR 50 Ca 0.00 -0.38 -0.39 0.00 -2.27 0.00 0.00 64.05 61.01 1iac n THR 50 Cb 0.00 1.17 -0.03 0.00 -2.10 0.00 0.00 70.33 69.37 1iac n THR 50 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1iac s GLU 51 N -1.54 4.22 0.28 -0.78 8.01 -1.26 -4.93 118.70 122.69 1iac s GLU 51 Ca 0.11 1.81 0.22 0.00 0.01 0.00 0.00 54.97 57.12 1iac s GLU 51 Cb 0.10 -2.79 0.11 0.00 -4.31 0.00 0.00 34.13 27.24 1iac s GLU 51 CO 0.30 -0.17 1.24 0.66 0.01 0.00 0.00 175.26 177.30 1iac h SER 52 N 2.91 0.00 -3.35 -0.19 4.64 -1.96 -3.43 113.55 112.18 1iac h SER 52 Ca -0.48 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.18 1iac h SER 52 Cb 1.23 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 63.03 1iac h SER 52 CO 0.64 0.06 -0.74 -1.81 -0.87 0.00 0.00 176.83 174.11 1iac s ASP 53 N -5.72 4.17 0.11 4.97 1.01 -1.26 -3.52 116.67 116.42 1iac s ASP 53 Ca 0.02 -0.40 -0.25 0.00 0.71 0.00 0.00 52.55 52.63 1iac s ASP 53 Cb 0.08 -1.70 0.08 0.00 1.01 0.00 0.00 42.92 42.38 1iac s ASP 53 CO 0.75 0.01 0.77 -0.72 0.21 0.00 0.00 175.17 176.18 1iac s TYR 54 N 1.31 -0.38 -0.21 4.23 1.13 -1.16 -4.61 117.35 117.67 1iac s TYR 54 Ca 0.04 0.16 -0.13 0.00 -1.41 0.00 0.00 57.07 55.72 1iac s TYR 54 Cb -0.14 0.58 -0.04 0.00 -1.10 0.00 0.00 41.96 41.25 1iac s TYR 54 CO -0.03 -0.77 0.27 0.08 -2.51 0.00 0.00 175.55 172.59 1iac s VAL 55 N -3.47 5.29 -0.37 -3.49 1.01 0.08 -1.15 120.40 118.30 1iac s VAL 55 Ca 0.05 0.45 -0.10 0.00 0.00 0.00 0.00 61.98 62.38 1iac s VAL 55 Cb -0.02 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.78 1iac s VAL 55 CO -0.07 0.32 0.19 -0.70 0.00 0.00 0.00 175.10 174.84 1iac s GLU 56 N 1.04 2.78 -0.16 2.72 2.12 0.08 -0.05 118.70 127.24 1iac s GLU 56 Ca 0.14 -1.10 -0.15 0.00 0.36 0.00 0.00 54.97 54.21 1iac s GLU 56 Cb -0.14 -3.69 -0.04 0.00 0.26 0.00 0.00 34.13 30.51 1iac s GLU 56 CO 0.05 -0.70 0.35 0.42 -0.54 0.00 0.00 175.26 174.84 1iac s ILE 57 N 1.53 5.26 0.02 -3.70 1.01 0.02 -0.85 121.20 124.49 1iac s ILE 57 Ca 0.01 0.66 -0.03 0.00 0.00 0.00 0.00 60.65 61.29 1iac s ILE 57 Cb -0.19 -3.69 -0.01 0.00 0.01 0.00 0.00 42.46 38.57 1iac s ILE 57 CO 0.06 0.35 0.04 0.72 0.00 0.00 0.00 174.94 176.11 1iac s PHE 58 N 0.66 0.21 -0.45 3.97 -0.71 -0.67 -1.25 117.98 119.75 1iac s PHE 58 Ca 0.19 -0.47 0.04 0.00 -1.04 0.00 0.00 56.93 55.65 1iac s PHE 58 Cb -0.14 -0.16 0.02 0.00 -1.21 0.00 0.00 43.02 41.53 1iac s PHE 58 CO 0.06 -0.27 0.55 2.41 -1.34 0.00 0.00 175.22 176.63 1iac n THR 59 N 1.25 0.00 -0.30 -4.49 -1.04 -1.26 -0.82 114.28 107.62 1iac n THR 59 Ca -0.22 -0.49 0.09 0.00 -2.04 0.00 0.00 64.05 61.39 1iac n THR 59 Cb 0.56 1.07 0.31 0.00 -1.82 0.00 0.00 70.33 70.46 1iac n THR 59 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1iac n SER 60 N 0.01 4.13 -1.66 8.00 3.41 -1.26 -1.08 113.62 125.17 1iac n SER 60 Ca 0.02 -2.32 0.00 0.00 -0.26 0.00 0.00 58.87 56.31 1iac n SER 60 Cb 0.09 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 1iac n SER 60 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iac n GLY 61 N 1.15 1.25 2.81 5.00 0.00 -1.26 -5.04 105.19 109.10 1iac n GLY 61 Ca 0.23 -1.69 -0.21 0.00 0.00 0.00 0.00 46.02 44.35 1iac n GLY 61 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1iac s SER 62 N -1.00 1.14 0.00 1.61 0.15 -1.26 -4.78 113.70 109.56 1iac s SER 62 Ca 0.00 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.58 1iac s SER 62 Cb 0.00 -0.38 0.00 0.00 -1.71 0.00 0.00 66.02 63.93 1iac s SER 62 CO 0.00 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.91 1iac n GLY 63 N 4.64 -1.08 3.29 9.45 0.00 -1.26 -4.91 105.19 115.32 1iac n GLY 63 Ca -0.16 -1.63 -0.34 0.00 0.00 0.00 0.00 46.02 43.89 1iac n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iac s TRP 65 N 1.17 -0.54 0.05 0.00 1.48 -0.67 -4.99 118.94 115.45 1iac s TRP 65 Ca 0.02 0.60 -0.13 0.00 -1.06 0.00 0.00 56.10 55.53 1iac s TRP 65 Cb -0.14 0.50 0.02 0.00 -1.16 0.00 0.00 33.47 32.68 1iac s TRP 65 CO -0.03 -0.69 0.29 0.45 -4.06 0.00 0.00 176.95 172.92 1iac s SER 66 N -2.06 -0.10 0.80 -2.66 0.15 -1.26 -1.28 113.70 107.29 1iac s SER 66 Ca -0.03 -0.26 -0.11 0.00 0.70 0.00 0.00 55.95 56.25 1iac s SER 66 Cb -0.01 0.36 0.07 0.00 -1.71 0.00 0.00 66.02 64.73 1iac s SER 66 CO -0.04 -0.64 1.09 -0.31 1.20 0.00 0.00 173.24 174.55 1iac s TYR 67 N -2.78 2.80 -0.26 3.44 2.02 -1.26 -4.91 117.35 116.41 1iac s TYR 67 Ca -0.03 1.18 -0.09 0.00 -0.37 0.00 0.00 57.07 57.76 1iac s TYR 67 Cb -0.00 -3.11 -0.04 0.00 -0.40 0.00 0.00 41.96 38.41 1iac s TYR 67 CO -0.05 -1.79 0.12 0.08 -1.57 0.00 0.00 175.55 172.35 1iac s VAL 68 N -3.13 4.79 0.01 0.71 1.01 -1.26 -2.98 120.40 119.56 1iac s VAL 68 Ca 0.61 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.58 1iac s VAL 68 Cb -0.15 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1iac s VAL 68 CO 0.54 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.57 1iac n GLY 69 N 4.85 -1.86 3.57 4.51 0.00 -0.39 -4.73 105.19 111.13 1iac n GLY 69 Ca -0.15 -1.33 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 1iac n GLY 69 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1iac s ARG 70 N -0.22 3.60 0.15 1.61 3.52 0.13 -4.79 118.95 122.95 1iac s ARG 70 Ca 0.00 0.12 0.24 0.00 -0.13 0.00 0.00 55.73 55.95 1iac s ARG 70 Cb 0.00 -3.86 0.23 0.00 -1.56 0.00 0.00 34.95 29.76 1iac s ARG 70 CO 0.00 -0.96 1.24 0.82 -0.81 0.00 0.00 175.30 175.59 1iac h ILE 71 N 5.85 0.00 -0.19 4.11 5.03 -1.87 -3.42 117.51 127.01 1iac h ILE 71 Ca -0.25 -0.64 0.00 0.00 -0.12 0.00 0.00 64.86 63.85 1iac h ILE 71 Cb 1.09 1.19 -0.00 0.00 -3.03 0.00 0.00 36.82 36.07 1iac h ILE 71 CO 0.93 0.00 -0.05 -1.54 -0.68 0.00 0.00 178.15 176.81 1iac n SER 72 N -2.28 -0.43 -0.33 1.72 3.41 -1.26 -5.08 113.62 109.36 1iac n SER 72 Ca 0.02 0.09 0.03 0.00 -0.26 0.00 0.00 58.87 58.76 1iac n SER 72 Cb 0.47 0.63 -0.01 0.00 -0.26 0.00 0.00 64.21 65.04 1iac n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iac n GLY 73 N -1.59 -1.99 3.75 5.00 0.00 -1.23 -4.80 105.19 104.32 1iac n GLY 73 Ca -0.00 -1.38 -0.40 0.00 0.00 0.00 0.00 46.02 44.24 1iac n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iac s ALA 74 N -1.30 3.34 -0.01 4.61 0.00 -1.23 -2.97 121.76 124.20 1iac s ALA 74 Ca 0.00 0.64 0.01 0.00 0.00 0.00 0.00 51.96 52.62 1iac s ALA 74 Cb 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1iac s ALA 74 CO 0.00 0.16 -0.05 1.14 0.00 0.00 0.00 175.76 177.01 1iac s GLN 75 N -1.13 0.52 0.28 0.00 -2.07 -0.30 -4.94 119.66 112.01 1iac s GLN 75 Ca 0.42 -0.15 -0.20 0.00 -1.82 0.00 0.00 55.36 53.60 1iac s GLN 75 Cb -0.26 -0.53 -0.09 0.00 -1.09 0.00 0.00 33.01 31.04 1iac s GLN 75 CO 0.33 0.06 0.78 -0.65 -1.32 0.00 0.00 175.29 174.49 1iac s GLN 76 N 0.19 4.26 -0.20 9.60 -0.21 -1.26 -0.74 119.66 131.30 1iac s GLN 76 Ca -0.02 0.93 0.01 0.00 0.02 0.00 0.00 55.36 56.30 1iac s GLN 76 Cb -0.06 -2.72 0.03 0.00 1.00 0.00 0.00 33.01 31.26 1iac s GLN 76 CO -0.00 0.29 -0.16 0.08 -2.12 0.00 0.00 175.29 173.38 1iac s VAL 77 N -1.68 2.26 -0.18 1.09 1.01 -0.03 -4.26 120.40 118.61 1iac s VAL 77 Ca 0.48 -1.03 -0.18 0.00 0.00 0.00 0.00 61.98 61.25 1iac s VAL 77 Cb -0.15 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 1iac s VAL 77 CO 0.20 0.40 0.48 -0.55 0.00 0.00 0.00 175.10 175.63 1iac s SER 78 N 1.28 6.56 -0.51 3.32 0.15 -0.40 -1.66 113.70 122.43 1iac s SER 78 Ca 0.02 0.66 0.04 0.00 0.70 0.00 0.00 55.95 57.37 1iac s SER 78 Cb -0.15 -2.28 0.16 0.00 -1.71 0.00 0.00 66.02 62.04 1iac s SER 78 CO -0.10 -0.12 0.35 -0.76 1.20 0.00 0.00 173.24 173.81 1iac s LEU 79 N 1.36 2.99 0.05 3.45 1.43 -0.00 -1.66 118.68 126.30 1iac s LEU 79 Ca 0.23 -3.14 -0.35 0.00 -1.03 0.00 0.00 54.13 49.84 1iac s LEU 79 Cb -0.15 -1.05 -0.15 0.00 0.03 0.00 0.00 46.19 44.87 1iac s LEU 79 CO 0.09 -0.18 1.57 1.67 0.23 0.00 0.00 176.35 179.73 1iac n GLN 80 N 2.85 1.74 -2.04 1.70 7.27 -1.10 -4.15 117.38 123.66 1iac n GLN 80 Ca 0.18 0.63 -0.41 0.00 0.07 0.00 0.00 57.00 57.48 1iac n GLN 80 Cb 0.38 -2.37 -0.02 0.00 2.41 0.00 0.00 30.24 30.65 1iac n GLN 80 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1iac s ALA 81 N 1.58 3.52 -0.66 1.69 0.00 -0.24 -1.24 121.76 126.42 1iac s ALA 81 Ca 0.85 1.33 -0.00 0.00 0.00 0.00 0.00 51.96 54.14 1iac s ALA 81 Cb -0.81 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 18.80 1iac s ALA 81 CO 0.46 -0.74 0.62 0.09 0.00 0.00 0.00 175.76 176.19 1iac n ASN 82 N 0.83 -6.91 0.00 0.00 3.02 -1.26 -4.74 115.26 106.19 1iac n ASN 82 Ca 0.01 -0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.45 1iac n ASN 82 Cb 0.41 -4.70 0.00 0.00 -0.61 0.00 0.00 39.78 34.88 1iac n ASN 82 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1iac n GLY 83 N -1.63 1.73 0.00 7.41 0.00 -1.22 -4.99 105.19 106.49 1iac n GLY 83 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1iac n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iac n VAL 85 N -0.25 4.34 -4.49 0.00 0.31 -1.25 -4.26 118.33 112.73 1iac n VAL 85 Ca 0.00 -4.38 -0.21 0.00 -0.01 0.00 0.00 64.34 59.74 1iac n VAL 85 Cb 0.05 -2.36 -0.14 0.00 -0.91 0.00 0.00 33.84 30.49 1iac n VAL 85 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1iac s TYR 86 N 0.40 1.30 0.21 3.52 2.02 -1.26 -5.02 117.35 118.51 1iac s TYR 86 Ca 0.40 -0.31 -0.11 0.00 -0.37 0.00 0.00 57.07 56.67 1iac s TYR 86 Cb 0.10 -0.79 0.27 0.00 -0.40 0.00 0.00 41.96 41.13 1iac s TYR 86 CO 0.00 0.02 1.68 1.25 -1.57 0.00 0.00 175.55 176.93 1iac h HIS 87 N 5.23 0.02 -0.34 2.71 2.76 -1.89 0.13 115.15 123.77 1iac h HIS 87 Ca -0.37 0.04 -0.17 0.00 -2.20 0.00 0.00 60.37 57.67 1iac h HIS 87 Cb 1.17 0.08 -0.00 0.00 1.55 0.00 0.00 27.41 30.21 1iac h HIS 87 CO 0.48 -0.12 -0.44 0.78 -1.30 0.00 0.00 177.93 177.33 1iac h GLY 88 N 0.15 0.98 1.06 5.26 0.00 -1.74 -2.00 103.07 106.77 1iac h GLY 88 Ca 0.30 -1.06 -0.07 0.00 0.00 0.00 0.00 47.33 46.50 1iac h GLY 88 CO -0.47 0.95 0.15 -0.84 0.00 0.00 0.00 176.54 176.34 1iac h THR 89 N 0.70 1.26 -0.32 4.70 2.02 -1.29 -1.84 112.91 118.14 1iac h THR 89 Ca 0.04 -0.98 0.05 0.00 0.77 0.00 0.00 66.41 66.29 1iac h THR 89 Cb 1.04 0.58 -0.05 0.00 -1.74 0.00 0.00 68.15 67.99 1iac h THR 89 CO 0.10 0.37 0.02 0.40 0.37 0.00 0.00 175.52 176.79 1iac h ILE 90 N 1.04 0.79 -0.53 3.11 2.04 -0.73 -1.36 117.51 121.86 1iac h ILE 90 Ca 0.21 -0.04 -0.07 0.00 1.00 0.00 0.00 64.86 65.96 1iac h ILE 90 Cb 0.39 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 1iac h ILE 90 CO 0.01 0.02 0.05 0.40 0.00 0.00 0.00 178.15 178.63 1iac h ILE 91 N 0.12 1.26 -0.13 -0.67 2.04 -1.25 -1.24 117.51 117.63 1iac h ILE 91 Ca 0.15 -1.01 0.04 0.00 1.00 0.00 0.00 64.86 65.05 1iac h ILE 91 Cb 0.20 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 37.10 1iac h ILE 91 CO -0.24 0.36 -0.20 -0.74 0.00 0.00 0.00 178.15 177.33 1iac h HIS 92 N 0.79 -0.52 -0.17 1.37 2.76 -0.91 0.31 115.15 118.77 1iac h HIS 92 Ca 0.16 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.32 1iac h HIS 92 Cb 0.45 0.25 -0.01 0.00 1.55 0.00 0.00 27.41 29.66 1iac h HIS 92 CO 0.03 -0.28 -0.04 0.93 -1.30 0.00 0.00 177.93 177.27 1iac h GLU 93 N -0.26 0.34 -0.26 5.26 4.39 -1.15 -1.53 114.58 121.37 1iac h GLU 93 Ca 0.10 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1iac h GLU 93 Cb 0.40 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1iac h GLU 93 CO -0.28 0.60 0.14 -0.07 -1.16 0.00 0.00 179.01 178.25 1iac h LEU 94 N 0.04 0.30 -0.92 1.33 4.07 -1.08 -2.25 115.31 116.80 1iac h LEU 94 Ca 0.04 -0.01 -0.11 0.00 0.08 0.00 0.00 57.88 57.88 1iac h LEU 94 Cb 0.48 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 1iac h LEU 94 CO 0.02 0.24 -0.41 -0.03 -1.08 0.00 0.00 178.44 177.18 1iac h MET 95 N 0.35 0.27 -0.02 1.13 4.05 0.12 -0.92 114.93 119.92 1iac h MET 95 Ca 0.09 -0.13 0.02 0.00 -0.28 0.00 0.00 59.70 59.41 1iac h MET 95 Cb 0.01 -0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.78 1iac h MET 95 CO -0.02 0.64 -0.12 0.45 0.23 0.00 0.00 176.91 178.09 1iac h HIS 96 N 0.23 -0.30 -0.79 1.39 3.86 -0.74 -2.60 115.15 116.20 1iac h HIS 96 Ca 0.02 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.28 1iac h HIS 96 Cb 0.82 0.14 -0.04 0.00 1.06 0.00 0.00 27.41 29.39 1iac h HIS 96 CO 0.02 -0.18 0.52 0.00 0.86 0.00 0.00 177.93 179.14 1iac h ALA 97 N 0.79 1.53 -0.90 2.45 0.00 -0.88 -0.77 119.26 121.49 1iac h ALA 97 Ca 0.05 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.00 1iac h ALA 97 Cb 0.26 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 1iac h ALA 97 CO -0.14 0.39 0.55 0.82 0.00 0.00 0.00 179.25 180.87 1iac h ILE 98 N 0.96 1.00 0.00 0.00 2.04 -0.99 -2.81 117.51 117.71 1iac h ILE 98 Ca 0.31 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1iac h ILE 98 Cb 0.05 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.08 1iac h ILE 98 CO -0.09 0.18 0.00 0.61 0.00 0.00 0.00 178.15 178.84 1iac n GLY 99 N -1.34 0.00 3.48 5.37 0.00 -0.62 -4.61 105.19 107.48 1iac n GLY 99 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1iac n GLY 99 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1iac s PHE 100 N 0.00 2.53 0.63 1.61 0.40 -1.01 -1.35 117.98 120.79 1iac s PHE 100 Ca 0.00 -0.27 0.07 0.00 -0.60 0.00 0.00 56.93 56.13 1iac s PHE 100 Cb 0.00 -1.36 0.11 0.00 0.51 0.00 0.00 43.02 42.28 1iac s PHE 100 CO 0.00 0.36 0.87 0.66 0.70 0.00 0.00 175.22 177.81 1iac n TYR 101 N 0.95 -2.48 -2.13 0.36 4.01 -0.30 -4.19 117.16 113.39 1iac n TYR 101 Ca -0.16 -2.03 -0.37 0.00 -0.16 0.00 0.00 57.90 55.18 1iac n TYR 101 Cb 0.53 -0.61 0.01 0.00 -0.31 0.00 0.00 39.34 38.95 1iac n TYR 101 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 1iac s HIS 102 N -2.79 2.65 0.30 -0.72 3.76 -1.26 -4.19 115.29 113.03 1iac s HIS 102 Ca 0.63 1.50 0.07 0.00 -0.15 0.00 0.00 55.06 57.11 1iac s HIS 102 Cb -0.05 -3.46 0.46 0.00 1.11 0.00 0.00 32.58 30.64 1iac s HIS 102 CO 0.41 -1.89 1.70 1.49 -0.85 0.00 0.00 174.74 175.59 1iac h GLU 103 N 1.60 0.22 -0.10 1.40 4.57 -1.53 -3.08 114.58 117.66 1iac h GLU 103 Ca -0.50 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 57.57 1iac h GLU 103 Cb 1.27 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 1iac h GLU 103 CO 0.58 0.61 0.00 -2.39 -1.18 0.00 0.00 179.01 176.63 1iac n HIS 104 N -4.02 0.13 -0.30 0.92 1.44 -1.26 -2.34 115.22 109.80 1iac n HIS 104 Ca -0.02 -0.06 0.03 0.00 -2.01 0.00 0.00 57.72 55.66 1iac n HIS 104 Cb 0.48 0.00 0.04 0.00 0.12 0.00 0.00 29.99 30.63 1iac n HIS 104 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1iac n THR 105 N -0.20 1.24 -1.49 0.61 -2.24 -1.16 -4.87 114.28 106.16 1iac n THR 105 Ca 0.13 -1.35 -0.37 0.00 -2.27 0.00 0.00 64.05 60.20 1iac n THR 105 Cb 0.18 0.30 0.07 0.00 -2.10 0.00 0.00 70.33 68.78 1iac n THR 105 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1iac n ARG 106 N -0.76 0.69 0.05 -0.78 1.74 -0.99 -1.26 116.66 115.36 1iac n ARG 106 Ca 0.04 0.28 0.19 0.00 -0.77 0.00 0.00 57.85 57.60 1iac n ARG 106 Cb 0.36 -2.17 0.71 0.00 -1.02 0.00 0.00 32.46 30.34 1iac n ARG 106 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 1iac h MET 107 N 0.11 0.00 -0.59 5.56 2.86 -1.93 0.21 114.93 121.15 1iac h MET 107 Ca -0.48 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.16 1iac h MET 107 Cb 1.35 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.01 1iac h MET 107 CO 0.49 0.00 0.00 -0.40 1.06 0.00 0.00 176.91 178.06 1iac n ASP 108 N -4.26 3.33 0.16 1.22 5.68 -1.26 -4.65 116.55 116.77 1iac n ASP 108 Ca 0.08 -2.18 0.13 0.00 -0.50 0.00 0.00 54.79 52.31 1iac n ASP 108 Cb 0.54 -0.44 0.66 0.00 -1.14 0.00 0.00 41.12 40.74 1iac n ASP 108 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 1iac h ARG 109 N 3.12 0.00 0.00 0.11 -0.00 -1.28 -1.07 114.38 115.25 1iac h ARG 109 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1iac h ARG 109 Cb 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.93 1iac h ARG 109 CO 0.10 0.00 0.00 -0.25 -0.00 0.00 0.00 179.97 179.82 1iac n ASP 110 N -4.47 0.30 0.25 0.08 8.00 -1.26 -0.55 116.55 118.91 1iac n ASP 110 Ca 0.02 0.55 0.17 0.00 0.71 0.00 0.00 54.79 56.24 1iac n ASP 110 Cb 0.29 -0.62 0.77 0.00 -0.02 0.00 0.00 41.12 41.54 1iac n ASP 110 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1iac h ASN 111 N 0.00 0.00 0.00 -2.24 4.21 -1.56 -3.38 115.58 112.62 1iac h ASN 111 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1iac h ASN 111 Cb 0.45 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.65 1iac h ASN 111 CO 0.00 0.00 -0.86 -1.22 -1.29 0.00 0.00 177.43 174.06 1iac n TYR 112 N -2.84 0.00 -4.26 1.19 4.01 0.29 -4.92 117.16 110.63 1iac n TYR 112 Ca -0.00 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.59 1iac n TYR 112 Cb 0.21 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.14 1iac n TYR 112 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1iac s VAL 113 N -1.86 1.10 -0.07 -0.72 -7.23 -0.13 -0.56 120.40 110.93 1iac s VAL 113 Ca 0.00 -2.05 0.02 0.00 -1.81 0.00 0.00 61.98 58.14 1iac s VAL 113 Cb 0.00 -1.94 -0.02 0.00 0.56 0.00 0.00 36.38 34.98 1iac s VAL 113 CO 0.00 -0.67 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.10 1iac s THR 114 N -3.37 3.15 -0.26 5.32 2.01 -0.62 -4.32 115.64 117.55 1iac s THR 114 Ca 0.19 -0.67 -0.13 0.00 0.31 0.00 0.00 61.69 61.39 1iac s THR 114 Cb 0.03 -2.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.23 1iac s THR 114 CO 0.02 0.57 0.27 -0.63 -0.69 0.00 0.00 174.62 174.16 1iac s ILE 115 N -0.46 5.26 -1.23 1.82 -1.09 -1.26 -1.80 121.20 122.45 1iac s ILE 115 Ca 0.06 0.37 -0.16 0.00 -2.23 0.00 0.00 60.65 58.69 1iac s ILE 115 Cb -0.12 -3.60 0.13 0.00 -1.58 0.00 0.00 42.46 37.29 1iac s ILE 115 CO 0.02 0.24 1.53 0.20 -1.23 0.00 0.00 174.94 175.70 1iac s ASN 116 N 1.48 6.96 0.65 3.58 0.01 0.02 -4.84 114.94 122.80 1iac s ASN 116 Ca 0.11 -2.74 0.39 0.00 -0.71 0.00 0.00 52.86 49.92 1iac s ASN 116 Cb -0.15 -2.47 2.18 0.00 0.41 0.00 0.00 41.25 41.22 1iac s ASN 116 CO 0.09 -0.92 2.29 1.88 -1.51 0.00 0.00 177.10 178.92 1iac h TYR 117 N 7.42 0.00 0.00 2.20 0.05 -1.93 0.41 116.97 125.11 1iac h TYR 117 Ca 0.36 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.13 1iac h TYR 117 Cb 0.88 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.62 1iac h TYR 117 CO 1.23 0.00 -0.04 -0.56 -1.05 0.00 0.00 178.16 177.73 1iac h GLN 118 N 0.00 0.00 -0.02 4.88 -0.00 -1.97 -3.01 115.11 115.00 1iac h GLN 118 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 1iac h GLN 118 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.58 1iac h GLN 118 CO -0.00 0.04 -0.33 0.09 -0.00 0.00 0.00 178.83 178.64 1iac n ASN 119 N -3.18 1.91 -4.77 0.06 3.02 0.13 -4.92 115.26 107.52 1iac n ASN 119 Ca -0.00 -1.45 -0.39 0.00 -0.03 0.00 0.00 54.58 52.71 1iac n ASN 119 Cb 0.29 0.30 -0.06 0.00 -0.61 0.00 0.00 39.78 39.71 1iac n ASN 119 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1iac s VAL 120 N -2.38 4.59 -0.03 2.41 1.01 -1.14 -1.15 120.40 123.71 1iac s VAL 120 Ca 0.23 1.60 -0.36 0.00 0.00 0.00 0.00 61.98 63.44 1iac s VAL 120 Cb 0.19 -4.09 -0.15 0.00 0.00 0.00 0.00 36.38 32.33 1iac s VAL 120 CO 0.50 0.45 1.62 -0.67 0.00 0.00 0.00 175.10 177.01 1iac n ASP 121 N 2.18 2.58 0.20 3.32 -0.08 -0.32 -4.74 116.55 119.69 1iac n ASP 121 Ca -0.05 1.07 0.16 0.00 -1.51 0.00 0.00 54.79 54.46 1iac n ASP 121 Cb 0.50 -1.27 0.80 0.00 2.34 0.00 0.00 41.12 43.48 1iac n ASP 121 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1iac h PRO 122 N 6.59 0.00 -0.01 -0.67 0.11 -1.93 -0.66 132.00 135.43 1iac h PRO 122 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1iac h PRO 122 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1iac h PRO 122 CO 0.89 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.55 1iac n SER 123 N -3.99 0.21 -0.01 -2.05 3.41 -1.26 -4.01 113.62 105.92 1iac n SER 123 Ca 0.01 -1.30 0.00 0.00 -0.26 0.00 0.00 58.87 57.32 1iac n SER 123 Cb 0.29 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 1iac n SER 123 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1iac n MET 124 N -0.73 1.73 0.15 4.33 2.81 -0.26 -4.84 117.12 120.31 1iac n MET 124 Ca 0.18 -1.14 0.01 0.00 -1.81 0.00 0.00 57.70 54.94 1iac n MET 124 Cb 0.12 -0.81 0.34 0.00 -0.71 0.00 0.00 33.22 32.15 1iac n MET 124 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1iac h THR 125 N 1.31 1.24 0.00 2.03 1.35 -1.69 -2.01 112.91 115.14 1iac h THR 125 Ca 0.00 -1.15 0.00 0.00 -0.55 0.00 0.00 66.41 64.71 1iac h THR 125 Cb 0.73 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 1iac h THR 125 CO 0.00 0.34 0.00 0.28 -0.25 0.00 0.00 175.52 175.89 1iac h SER 126 N 0.12 0.00 0.24 5.36 0.02 -1.91 -1.76 113.55 115.62 1iac h SER 126 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1iac h SER 126 Cb 0.59 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1iac h SER 126 CO 0.04 0.00 0.00 0.78 -1.14 0.00 0.00 176.83 176.51 1iac h ASN 127 N 0.00 0.00 -0.69 3.07 2.35 -1.75 -1.08 115.58 117.49 1iac h ASN 127 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1iac h ASN 127 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1iac h ASN 127 CO 0.00 0.00 0.00 0.49 -1.65 0.00 0.00 177.43 176.27 1iac n PHE 128 N -2.83 0.91 -1.76 1.19 3.72 -0.66 -4.97 117.46 113.06 1iac n PHE 128 Ca -0.02 -0.46 -0.42 0.00 -0.05 0.00 0.00 57.45 56.51 1iac n PHE 128 Cb 0.12 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.63 1iac n PHE 128 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1iac s ASP 129 N -1.04 6.39 0.29 4.37 1.01 -0.41 -4.91 116.67 122.37 1iac s ASP 129 Ca 0.47 2.89 -0.30 0.00 0.71 0.00 0.00 52.55 56.32 1iac s ASP 129 Cb 0.25 -2.61 -0.11 0.00 1.01 0.00 0.00 42.92 41.45 1iac s ASP 129 CO 0.32 -0.94 1.61 -0.63 0.21 0.00 0.00 175.17 175.74 1iac s ILE 130 N 0.67 2.04 -1.19 0.77 1.01 -1.26 -4.80 121.20 118.44 1iac s ILE 130 Ca 0.70 0.03 -0.20 0.00 0.00 0.00 0.00 60.65 61.17 1iac s ILE 130 Cb -0.49 -3.02 0.03 0.00 0.01 0.00 0.00 42.46 39.00 1iac s ILE 130 CO 0.39 0.00 1.72 -1.81 0.00 0.00 0.00 174.94 175.24 1iac s ASP 131 N 0.52 6.34 0.34 3.58 1.01 -0.39 -4.79 116.67 123.29 1iac s ASP 131 Ca 0.64 -1.96 0.03 0.00 0.71 0.00 0.00 52.55 51.97 1iac s ASP 131 Cb -0.48 -2.58 0.62 0.00 1.01 0.00 0.00 42.92 41.50 1iac s ASP 131 CO 0.48 -1.68 1.94 0.74 0.21 0.00 0.00 175.17 176.86 1iac h THR 132 N 6.08 1.17 -3.46 -1.27 2.02 -1.91 -3.26 112.91 112.30 1iac h THR 132 Ca 0.33 -0.52 -0.79 0.00 0.77 0.00 0.00 66.41 66.20 1iac h THR 132 Cb 0.92 0.58 -0.27 0.00 -1.74 0.00 0.00 68.15 67.65 1iac h THR 132 CO 1.40 0.21 0.49 -0.31 0.37 0.00 0.00 175.52 177.67 1iac s TYR 133 N -5.36 4.12 0.30 3.16 2.02 -1.26 -4.95 117.35 115.39 1iac s TYR 133 Ca -0.09 -2.53 -0.12 0.00 -0.37 0.00 0.00 57.07 53.96 1iac s TYR 133 Cb 0.17 -3.89 0.01 0.00 -0.40 0.00 0.00 41.96 37.85 1iac s TYR 133 CO 0.76 -1.00 0.57 -1.54 -1.57 0.00 0.00 175.55 172.77 1iac s SER 134 N 1.60 0.16 -0.00 2.29 1.04 -1.23 -4.40 113.70 113.16 1iac s SER 134 Ca 0.30 -1.07 0.01 0.00 0.48 0.00 0.00 55.95 55.67 1iac s SER 134 Cb -0.09 0.67 -0.00 0.00 0.10 0.00 0.00 66.02 66.70 1iac s SER 134 CO -0.07 -1.31 -0.05 0.00 0.98 0.00 0.00 173.24 172.79 1iac s ARG 135 N -3.43 0.38 0.39 4.02 1.70 -0.30 -4.89 118.95 116.81 1iac s ARG 135 Ca 0.22 -0.19 -0.23 0.00 -0.47 0.00 0.00 55.73 55.05 1iac s ARG 135 Cb -0.02 -0.35 -0.10 0.00 -0.57 0.00 0.00 34.95 33.91 1iac s ARG 135 CO 0.12 0.09 0.99 0.71 -1.08 0.00 0.00 175.30 176.13 1iac s TYR 136 N -0.17 3.40 -0.42 5.89 2.02 -1.26 -0.71 117.35 126.10 1iac s TYR 136 Ca 0.01 1.67 0.11 0.00 -0.37 0.00 0.00 57.07 58.49 1iac s TYR 136 Cb -0.02 -2.98 0.39 0.00 -0.40 0.00 0.00 41.96 38.96 1iac s TYR 136 CO -0.00 -0.22 0.93 1.33 -1.57 0.00 0.00 175.55 176.02 1iac n VAL 137 N -0.10 1.46 -0.29 0.71 0.24 -1.26 -4.93 118.33 114.15 1iac n VAL 137 Ca 0.05 -4.47 0.00 0.00 -2.04 0.00 0.00 64.34 57.88 1iac n VAL 137 Cb 0.51 -0.49 0.00 0.00 -1.47 0.00 0.00 33.84 32.40 1iac n VAL 137 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1iac n GLY 138 N -0.11 0.70 3.06 7.63 0.00 -1.26 -4.45 105.19 110.76 1iac n GLY 138 Ca 0.25 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.10 1iac n GLY 138 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iac s GLU 139 N -0.71 0.67 0.86 1.61 0.41 -1.26 -5.03 118.70 115.26 1iac s GLU 139 Ca 0.00 -0.54 -0.13 0.00 -0.41 0.00 0.00 54.97 53.89 1iac s GLU 139 Cb 0.00 -0.61 0.12 0.00 -1.78 0.00 0.00 34.13 31.86 1iac s GLU 139 CO 0.00 0.15 1.21 -0.51 -0.49 0.00 0.00 175.26 175.62 1iac s ASP 140 N -0.83 4.02 0.33 -0.19 1.01 -1.26 -5.01 116.67 114.74 1iac s ASP 140 Ca -0.01 0.68 -0.29 0.00 0.71 0.00 0.00 52.55 53.65 1iac s ASP 140 Cb -0.06 -1.08 -0.11 0.00 1.01 0.00 0.00 42.92 42.68 1iac s ASP 140 CO 0.00 -2.20 1.53 -0.47 0.21 0.00 0.00 175.17 174.24 1iac s TYR 141 N -3.60 2.71 -0.20 4.23 6.14 -1.26 -5.01 117.35 120.36 1iac s TYR 141 Ca 0.65 0.99 -0.01 0.00 0.64 0.00 0.00 57.07 59.33 1iac s TYR 141 Cb -0.10 -4.02 0.06 0.00 0.42 0.00 0.00 41.96 38.32 1iac s TYR 141 CO 0.50 -3.21 -0.00 -0.65 0.64 0.00 0.00 175.55 172.84 1iac s GLN 142 N -1.22 1.02 0.45 4.97 -1.52 -1.26 -5.02 119.66 117.09 1iac s GLN 142 Ca 0.58 -0.57 0.16 0.00 -1.95 0.00 0.00 55.36 53.58 1iac s GLN 142 Cb -0.47 -2.19 1.11 0.00 -0.22 0.00 0.00 33.01 31.24 1iac s GLN 142 CO 0.54 -0.59 1.98 1.88 -0.25 0.00 0.00 175.29 178.85 1iac h TYR 143 N 8.15 0.35 -0.61 0.91 0.05 -1.99 -2.16 116.97 121.67 1iac h TYR 143 Ca -0.18 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.61 1iac h TYR 143 Cb 1.11 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 38.73 1iac h TYR 143 CO 0.37 0.16 0.00 0.66 -1.05 0.00 0.00 178.16 178.30 1iac n TYR 144 N -4.46 1.69 -1.62 4.88 4.01 -1.26 -4.78 117.16 115.63 1iac n TYR 144 Ca 0.10 -0.63 -0.42 0.00 -0.16 0.00 0.00 57.90 56.79 1iac n TYR 144 Cb 0.42 -0.35 0.01 0.00 -0.31 0.00 0.00 39.34 39.12 1iac n TYR 144 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1iac n SER 145 N 0.91 1.39 0.23 7.72 2.88 -0.81 -4.72 113.62 121.22 1iac n SER 145 Ca 0.26 1.05 0.15 0.00 -1.33 0.00 0.00 58.87 59.00 1iac n SER 145 Cb 1.00 -1.36 0.79 0.00 -0.75 0.00 0.00 64.21 63.88 1iac n SER 145 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 1iac h ILE 146 N 1.63 0.00 -0.09 2.46 6.09 -1.92 -1.22 117.51 124.47 1iac h ILE 146 Ca -0.44 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.05 1iac h ILE 146 Cb 1.33 0.64 0.00 0.00 0.47 0.00 0.00 36.82 39.27 1iac h ILE 146 CO 0.57 0.00 0.00 0.23 -3.07 0.00 0.00 178.15 175.88 1iac n MET 147 N -2.54 1.83 -3.48 2.19 2.81 -1.26 -4.63 117.12 112.04 1iac n MET 147 Ca -0.02 -1.22 -0.37 0.00 -1.81 0.00 0.00 57.70 54.28 1iac n MET 147 Cb 0.09 -1.45 -0.06 0.00 -0.71 0.00 0.00 33.22 31.09 1iac n MET 147 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1iac s HIS 148 N -1.90 3.69 0.68 2.03 5.65 -0.46 -1.17 115.29 123.80 1iac s HIS 148 Ca 0.35 0.98 -0.02 0.00 0.25 0.00 0.00 55.06 56.62 1iac s HIS 148 Cb 0.20 -2.29 0.09 0.00 -1.18 0.00 0.00 32.58 29.41 1iac s HIS 148 CO 0.31 0.58 0.95 0.71 -0.65 0.00 0.00 174.74 176.64 1iac s TYR 149 N -1.21 2.14 0.63 3.88 2.02 -1.26 -4.18 117.35 119.37 1iac s TYR 149 Ca 0.28 -0.06 0.03 0.00 -0.37 0.00 0.00 57.07 56.95 1iac s TYR 149 Cb -0.16 -3.02 0.09 0.00 -0.40 0.00 0.00 41.96 38.48 1iac s TYR 149 CO 0.16 -1.48 0.87 0.20 -1.57 0.00 0.00 175.55 173.72 1iac s GLY 150 N -4.62 1.78 0.58 0.71 0.00 -1.21 -4.47 107.32 100.08 1iac s GLY 150 Ca 0.63 -1.80 0.36 0.00 0.00 0.00 0.00 44.72 43.91 1iac s GLY 150 CO 0.43 -1.33 2.08 0.07 0.00 0.00 0.00 173.10 174.35 1iac h LYS 151 N -0.13 0.00 -0.28 2.90 2.10 -1.68 -2.79 116.57 116.68 1iac h LYS 151 Ca -0.35 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.30 1iac h LYS 151 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1iac h LYS 151 CO 0.42 0.01 0.00 0.66 -2.00 0.00 0.00 179.45 178.55 1iac n TYR 152 N -3.12 0.37 -1.68 0.07 4.01 -1.26 -0.22 117.16 115.33 1iac n TYR 152 Ca -0.00 -0.35 -0.56 0.00 -0.16 0.00 0.00 57.90 56.83 1iac n TYR 152 Cb 0.25 -0.02 -0.07 0.00 -0.31 0.00 0.00 39.34 39.20 1iac n TYR 152 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1iac n SER 153 N 0.69 2.27 -1.30 7.72 7.64 -1.05 -1.35 113.62 128.24 1iac n SER 153 Ca 0.12 1.08 -0.14 0.00 1.01 0.00 0.00 58.87 60.94 1iac n SER 153 Cb 0.41 -1.16 -0.04 0.00 -1.01 0.00 0.00 64.21 62.41 1iac n SER 153 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1iac n PHE 154 N 4.76 -0.28 -2.19 1.43 3.72 -1.26 -4.71 117.46 118.93 1iac n PHE 154 Ca 0.24 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.26 1iac n PHE 154 Cb 0.15 -2.72 -0.01 0.00 -0.94 0.00 0.00 39.48 35.96 1iac n PHE 154 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1iac s SER 155 N -2.65 6.34 0.32 4.37 0.15 -0.45 -1.17 113.70 120.61 1iac s SER 155 Ca 0.00 2.45 0.25 0.00 0.70 0.00 0.00 55.95 59.36 1iac s SER 155 Cb 0.00 -2.62 1.12 0.00 -1.71 0.00 0.00 66.02 62.81 1iac s SER 155 CO 0.00 -0.81 1.76 0.16 1.20 0.00 0.00 173.24 175.55 1iac h ILE 156 N 2.25 0.00 -1.80 6.45 3.07 -1.42 -3.37 117.51 122.70 1iac h ILE 156 Ca -0.49 -0.22 -0.44 0.00 1.55 0.00 0.00 64.86 65.27 1iac h ILE 156 Cb 1.24 0.95 -0.30 0.00 -0.27 0.00 0.00 36.82 38.44 1iac h ILE 156 CO 0.62 0.00 -0.82 1.67 -1.05 0.00 0.00 178.15 178.57 1iac n GLN 157 N -2.39 0.37 -1.73 0.16 7.27 -1.26 -5.05 117.38 114.75 1iac n GLN 157 Ca 0.01 -2.76 -0.42 0.00 0.07 0.00 0.00 57.00 53.90 1iac n GLN 157 Cb 0.20 -1.56 -0.02 0.00 2.41 0.00 0.00 30.24 31.27 1iac n GLN 157 CO 0.00 0.00 0.00 1.87 0.07 0.00 0.00 177.06 179.00 1iac n TRP 158 N 2.67 2.77 0.00 3.69 -0.00 -1.26 -1.74 117.44 123.57 1iac n TRP 158 Ca 0.24 0.16 0.00 0.00 -0.00 0.00 0.00 57.50 57.91 1iac n TRP 158 Cb 0.52 -2.63 0.00 0.00 -0.00 0.00 0.00 31.31 29.20 1iac n TRP 158 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1iac n GLY 159 N 3.01 1.18 1.23 5.87 0.00 -1.26 -4.84 105.19 110.38 1iac n GLY 159 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1iac n GLY 159 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1iac n VAL 160 N -2.00 0.66 -3.47 1.61 0.31 -0.71 -5.03 118.33 109.70 1iac n VAL 160 Ca 0.00 0.22 -0.38 0.00 -0.01 0.00 0.00 64.34 64.17 1iac n VAL 160 Cb 0.00 -1.34 -0.09 0.00 -0.91 0.00 0.00 33.84 31.50 1iac n VAL 160 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1iac s LEU 161 N -6.60 4.09 0.04 7.52 1.43 -0.87 -5.06 118.68 119.22 1iac s LEU 161 Ca 0.00 0.28 -0.16 0.00 -1.03 0.00 0.00 54.13 53.21 1iac s LEU 161 Cb 0.00 -2.34 -0.06 0.00 0.03 0.00 0.00 46.19 43.82 1iac s LEU 161 CO 0.00 -0.08 0.48 -1.61 0.23 0.00 0.00 176.35 175.37 1iac s GLU 162 N 1.59 4.02 -0.19 1.70 2.02 -1.26 -4.71 118.70 121.87 1iac s GLU 162 Ca 0.13 0.53 0.11 0.00 0.02 0.00 0.00 54.97 55.76 1iac s GLU 162 Cb -0.15 -3.19 -0.19 0.00 0.10 0.00 0.00 34.13 30.70 1iac s GLU 162 CO 0.08 0.65 -0.03 0.25 0.02 0.00 0.00 175.26 176.23 1iac n THR 163 N 1.65 1.24 -4.04 3.63 -2.24 0.69 -4.63 114.28 110.58 1iac n THR 163 Ca -0.12 -0.66 -0.34 0.00 -2.27 0.00 0.00 64.05 60.67 1iac n THR 163 Cb 0.52 -0.81 -0.15 0.00 -2.10 0.00 0.00 70.33 67.79 1iac n THR 163 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1iac s ILE 164 N -2.44 2.52 -0.19 2.28 1.01 -1.02 -0.79 121.20 122.57 1iac s ILE 164 Ca -0.16 -0.88 -0.01 0.00 0.00 0.00 0.00 60.65 59.60 1iac s ILE 164 Cb 0.06 -2.15 0.01 0.00 0.01 0.00 0.00 42.46 40.39 1iac s ILE 164 CO 0.65 0.42 -0.14 -0.69 0.00 0.00 0.00 174.94 175.18 1iac s VAL 165 N 1.33 2.54 0.30 2.92 1.01 -0.75 -4.48 120.40 123.28 1iac s VAL 165 Ca 0.04 -0.78 -0.29 0.00 0.00 0.00 0.00 61.98 60.95 1iac s VAL 165 Cb -0.14 -2.10 -0.10 0.00 0.00 0.00 0.00 36.38 34.03 1iac s VAL 165 CO -0.09 0.50 1.29 -2.16 0.00 0.00 0.00 175.10 174.64 1iac s PRO 166 N 1.34 4.39 0.31 2.72 0.04 -1.26 -1.59 135.00 140.95 1iac s PRO 166 Ca 0.05 2.15 0.16 0.00 0.04 0.00 0.00 61.00 63.40 1iac s PRO 166 Cb -0.14 -3.11 0.16 0.00 0.04 0.00 0.00 34.50 31.46 1iac s PRO 166 CO -0.09 -0.16 1.49 -0.07 0.04 0.00 0.00 177.00 178.21 1iac h LEU 167 N 3.81 0.00 -9.90 -3.56 3.38 -1.18 -3.47 115.31 104.39 1iac h LEU 167 Ca -0.48 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 56.96 1iac h LEU 167 Cb 1.22 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 1iac h LEU 167 CO 0.68 0.43 0.02 -1.10 0.09 0.00 0.00 178.44 178.56 1iac s GLN 168 N -3.04 4.05 0.00 1.13 -0.21 -1.26 -5.07 119.66 115.25 1iac s GLN 168 Ca 0.04 0.63 0.00 0.00 0.02 0.00 0.00 55.36 56.05 1iac s GLN 168 Cb 0.08 -2.77 0.00 0.00 1.00 0.00 0.00 33.01 31.32 1iac s GLN 168 CO 0.73 0.36 0.00 0.27 -2.12 0.00 0.00 175.29 174.53 1iac n ASN 169 N 0.39 0.00 -3.93 5.90 2.04 -1.26 -3.85 115.26 114.55 1iac n ASN 169 Ca -0.02 0.00 -0.41 0.00 -0.44 0.00 0.00 54.58 53.72 1iac n ASN 169 Cb 0.52 0.00 -0.00 0.00 -2.53 0.00 0.00 39.78 37.76 1iac n ASN 169 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1iac n GLY 170 N 0.00 5.09 3.70 4.83 0.00 -1.26 -4.98 105.19 112.58 1iac n GLY 170 Ca 0.00 -2.68 -0.35 0.00 0.00 0.00 0.00 46.02 42.99 1iac n GLY 170 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iac s ILE 171 N -2.70 4.99 -0.31 -0.61 -1.09 -1.25 -5.06 121.20 115.18 1iac s ILE 171 Ca 0.32 0.03 0.02 0.00 -2.23 0.00 0.00 60.65 58.80 1iac s ILE 171 Cb 0.06 -3.23 0.09 0.00 -1.58 0.00 0.00 42.46 37.80 1iac s ILE 171 CO 0.08 0.50 0.02 -0.62 -1.23 0.00 0.00 174.94 173.70 1iac s ASP 172 N -0.02 4.44 -0.17 3.58 2.15 -1.26 -4.88 116.67 120.51 1iac s ASP 172 Ca 0.07 -1.80 -0.29 0.00 0.43 0.00 0.00 52.55 50.96 1iac s ASP 172 Cb -0.12 -1.40 -0.02 0.00 -0.30 0.00 0.00 42.92 41.08 1iac s ASP 172 CO 0.01 -0.34 1.43 -0.76 -0.17 0.00 0.00 175.17 175.33 1iac s LEU 173 N 1.15 4.11 0.30 -1.34 1.43 -1.26 -5.02 118.68 118.04 1iac s LEU 173 Ca 0.06 1.73 0.11 0.00 -1.03 0.00 0.00 54.13 55.00 1iac s LEU 173 Cb -0.19 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.44 1iac s LEU 173 CO -0.11 -0.94 -0.17 0.42 0.23 0.00 0.00 176.35 175.78 1iac s THR 174 N 4.09 2.46 0.68 5.49 -4.23 -1.26 -2.31 115.64 120.56 1iac s THR 174 Ca 0.62 -2.34 -0.09 0.00 -1.18 0.00 0.00 61.69 58.71 1iac s THR 174 Cb -0.24 -2.40 0.03 0.00 1.34 0.00 0.00 72.50 71.23 1iac s THR 174 CO 0.22 -0.35 1.03 -1.81 -0.54 0.00 0.00 174.62 173.17 1iac s ASP 175 N -3.54 5.21 0.30 3.99 1.01 -1.26 -3.30 116.67 119.08 1iac s ASP 175 Ca 0.31 0.80 0.03 0.00 0.71 0.00 0.00 52.55 54.39 1iac s ASP 175 Cb -0.03 -1.58 0.60 0.00 1.01 0.00 0.00 42.92 42.92 1iac s ASP 175 CO 0.16 -1.39 1.86 -0.65 0.21 0.00 0.00 175.17 175.35 1iac h PRO 176 N -0.55 0.91 0.00 8.23 0.11 -1.84 -1.11 132.00 137.75 1iac h PRO 176 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1iac h PRO 176 Cb 1.28 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1iac h PRO 176 CO 0.62 0.60 0.00 0.10 -0.21 0.00 0.00 178.00 179.12 1iac h TYR 177 N 0.94 0.00 0.00 0.65 -0.00 -1.92 0.63 116.97 117.27 1iac h TYR 177 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.19 1iac h TYR 177 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.20 1iac h TYR 177 CO -0.00 0.00 -0.30 -0.25 -0.00 0.00 0.00 178.16 177.60 1iac n ASP 178 N -2.56 0.43 -4.77 0.10 8.00 -0.42 -4.70 116.55 112.63 1iac n ASP 178 Ca -0.01 0.17 -0.39 0.00 0.71 0.00 0.00 54.79 55.27 1iac n ASP 178 Cb 0.13 -0.14 -0.06 0.00 -0.02 0.00 0.00 41.12 41.03 1iac n ASP 178 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1iac s LYS 179 N -3.05 4.37 0.12 -1.24 -0.14 0.21 -4.96 119.74 115.06 1iac s LYS 179 Ca 0.11 0.88 -0.01 0.00 -1.36 0.00 0.00 55.97 55.58 1iac s LYS 179 Cb 0.16 -3.32 -0.15 0.00 -1.68 0.00 0.00 37.83 32.85 1iac s LYS 179 CO 0.64 0.42 1.26 0.00 -0.76 0.00 0.00 175.35 176.91 1iac h ALA 180 N 5.27 0.31 -2.59 5.17 0.00 -1.89 -3.34 119.26 122.19 1iac h ALA 180 Ca -0.46 -0.79 -0.08 0.00 0.00 0.00 0.00 54.91 53.58 1iac h ALA 180 Cb 1.21 -0.04 -0.14 0.00 0.00 0.00 0.00 17.79 18.82 1iac h ALA 180 CO 0.68 0.94 -0.26 -1.01 0.00 0.00 0.00 179.25 179.60 1iac s HIS 181 N -2.98 0.01 0.53 0.00 3.76 -1.26 -4.79 115.29 110.56 1iac s HIS 181 Ca -0.04 -0.37 -0.19 0.00 -0.15 0.00 0.00 55.06 54.31 1iac s HIS 181 Cb 0.09 0.06 -0.06 0.00 1.11 0.00 0.00 32.58 33.77 1iac s HIS 181 CO 0.86 -0.59 1.06 0.00 -0.85 0.00 0.00 174.74 175.22 1iac s MET 182 N -3.69 3.58 0.63 1.40 0.23 -1.26 -4.81 119.30 115.38 1iac s MET 182 Ca 0.03 1.35 -0.16 0.00 -1.03 0.00 0.00 55.69 55.88 1iac s MET 182 Cb 0.03 -2.06 -0.01 0.00 -1.53 0.00 0.00 34.83 31.26 1iac s MET 182 CO -0.11 -0.62 1.11 -0.51 -2.03 0.00 0.00 175.02 172.87 1iac s LEU 183 N -3.86 3.46 0.24 0.18 1.43 -1.26 -4.94 118.68 113.93 1iac s LEU 183 Ca 0.67 2.03 -0.04 0.00 -1.03 0.00 0.00 54.13 55.75 1iac s LEU 183 Cb -0.17 -4.56 0.39 0.00 0.03 0.00 0.00 46.19 41.88 1iac s LEU 183 CO 0.26 -1.54 1.81 -0.61 0.23 0.00 0.00 176.35 176.51 1iac h GLN 184 N 0.27 0.77 0.00 1.70 5.75 -2.00 -0.62 115.11 120.98 1iac h GLN 184 Ca -0.47 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 57.96 1iac h GLN 184 Cb 1.25 -0.17 -0.00 0.00 1.07 0.00 0.00 27.48 29.62 1iac h GLN 184 CO 0.55 0.51 -0.11 1.79 -2.65 0.00 0.00 178.83 178.91 1iac h THR 185 N 0.80 0.52 -0.20 2.39 1.35 -1.98 0.02 112.91 115.79 1iac h THR 185 Ca 0.40 -0.54 -0.04 0.00 -0.55 0.00 0.00 66.41 65.67 1iac h THR 185 Cb 0.35 1.36 -0.01 0.00 -1.73 0.00 0.00 68.15 68.13 1iac h THR 185 CO -0.24 0.11 -0.04 0.44 -0.25 0.00 0.00 175.52 175.54 1iac h ASP 186 N 0.00 0.39 -0.52 5.36 3.32 -1.49 -2.05 116.42 121.42 1iac h ASP 186 Ca -0.00 -0.35 -0.02 0.00 0.02 0.00 0.00 57.03 56.67 1iac h ASP 186 Cb 0.35 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 1iac h ASP 186 CO 0.01 0.65 0.23 0.00 -1.72 0.00 0.00 179.24 178.42 1iac h ALA 187 N 0.75 0.68 -0.84 3.45 0.00 -0.80 -2.73 119.26 119.76 1iac h ALA 187 Ca 0.05 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1iac h ALA 187 Cb 0.48 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 1iac h ALA 187 CO 0.02 0.26 0.54 -0.91 0.00 0.00 0.00 179.25 179.16 1iac h ASN 188 N 0.70 0.88 -0.60 0.00 2.35 -1.01 -0.96 115.58 116.94 1iac h ASN 188 Ca 0.18 -0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.84 1iac h ASN 188 Cb 0.16 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 1iac h ASN 188 CO -0.02 0.60 0.06 1.56 -1.65 0.00 0.00 177.43 177.98 1iac h GLN 189 N 1.04 1.04 -0.08 0.81 4.20 -1.08 -0.33 115.11 120.70 1iac h GLN 189 Ca 0.34 -0.29 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 1iac h GLN 189 Cb 0.04 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 1iac h GLN 189 CO -0.13 0.98 0.03 0.82 -0.67 0.00 0.00 178.83 179.86 1iac h ILE 190 N 0.96 1.13 -0.49 2.54 2.04 -1.09 0.05 117.51 122.66 1iac h ILE 190 Ca 0.19 -0.39 -0.07 0.00 1.00 0.00 0.00 64.86 65.59 1iac h ILE 190 Cb 0.47 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 1iac h ILE 190 CO 0.02 0.11 0.02 0.78 0.00 0.00 0.00 178.15 179.08 1iac h ASN 191 N -0.02 0.75 -0.42 1.72 2.35 -1.03 0.91 115.58 119.83 1iac h ASN 191 Ca 0.03 -0.17 -0.03 0.00 -0.55 0.00 0.00 56.30 55.58 1iac h ASN 191 Cb 0.15 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 1iac h ASN 191 CO -0.00 0.81 0.16 0.78 -1.65 0.00 0.00 177.43 177.52 1iac h ASN 192 N 0.74 0.59 -0.80 5.81 2.35 -0.91 -1.77 115.58 121.60 1iac h ASN 192 Ca 0.15 -0.18 -0.03 0.00 -0.55 0.00 0.00 56.30 55.69 1iac h ASN 192 Cb 0.42 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.60 1iac h ASN 192 CO 0.02 0.62 0.38 0.25 -1.65 0.00 0.00 177.43 177.04 1iac h LEU 193 N 0.54 1.05 -2.12 1.61 5.85 -0.50 -3.11 115.31 118.63 1iac h LEU 193 Ca 0.14 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1iac h LEU 193 Cb 0.22 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.98 1iac h LEU 193 CO -0.01 0.89 0.00 -1.22 -0.34 0.00 0.00 178.44 177.76 1iac n TYR 194 N -4.31 0.88 -0.30 1.25 4.02 0.27 -4.58 117.16 114.40 1iac n TYR 194 Ca 0.08 -0.39 0.14 0.00 -0.01 0.00 0.00 57.90 57.72 1iac n TYR 194 Cb 0.14 -0.09 0.30 0.00 -0.02 0.00 0.00 39.34 39.68 1iac n TYR 194 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 1iac h THR 195 N 3.00 0.33 0.10 -0.72 2.02 -1.25 -0.23 112.91 116.16 1iac h THR 195 Ca 0.00 -0.08 -0.29 0.00 0.77 0.00 0.00 66.41 66.80 1iac h THR 195 Cb 0.90 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1iac h THR 195 CO 0.08 0.04 -1.47 0.78 0.37 0.00 0.00 175.52 175.32 1iac h ASN 196 N 0.24 0.34 -0.34 4.18 -0.26 -1.87 -2.87 115.58 115.00 1iac h ASN 196 Ca 0.57 -0.46 -0.03 0.00 -0.56 0.00 0.00 56.30 55.81 1iac h ASN 196 Cb 1.15 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 38.28 1iac h ASN 196 CO -0.64 1.38 0.08 -0.33 -1.06 0.00 0.00 177.43 176.87 1iac h GLU 197 N 0.06 0.55 -0.00 0.81 4.39 -1.58 -3.23 114.58 115.56 1iac h GLU 197 Ca -0.22 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.35 1iac h GLU 197 Cb 1.99 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.57 1iac h GLU 197 CO 0.16 0.60 -0.29 0.00 -1.16 0.00 0.00 179.01 178.33 1iac n SER 199 N -0.96 -7.24 0.00 0.00 7.64 -1.16 -5.06 113.62 106.84 1iac n SER 199 Ca 0.11 -0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1iac n SER 199 Cb 0.33 -4.91 0.00 0.00 -1.01 0.00 0.00 64.21 58.62 1iac n SER 199 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21