#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3inn s MET 1 N 0.00 4.25 -0.08 0.00 1.75 -1.26 -4.97 119.30 119.00 3inn s MET 1 Ca 0.00 2.28 -0.16 0.00 -1.25 0.00 0.00 55.69 56.56 3inn s MET 1 Cb 0.00 -3.16 -0.05 0.00 2.84 0.00 0.00 34.83 34.46 3inn s MET 1 CO 0.00 -0.52 0.43 -0.65 -0.65 0.00 0.00 175.02 173.63 3inn s GLN 2 N 0.72 4.18 -0.23 4.11 -0.21 -0.78 -4.96 119.66 122.50 3inn s GLN 2 Ca 0.66 0.39 -0.08 0.00 0.02 0.00 0.00 55.36 56.35 3inn s GLN 2 Cb -0.42 -3.36 -0.04 0.00 1.00 0.00 0.00 33.01 30.20 3inn s GLN 2 CO 0.34 0.36 0.08 0.42 -2.12 0.00 0.00 175.29 174.38 3inn s ILE 3 N -0.02 4.62 0.14 1.08 1.01 -1.26 -1.02 121.20 125.75 3inn s ILE 3 Ca 0.24 -0.08 0.09 0.00 0.00 0.00 0.00 60.65 60.90 3inn s ILE 3 Cb -0.15 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 3inn s ILE 3 CO 0.11 0.37 -0.21 -0.63 0.00 0.00 0.00 174.94 174.58 3inn s ILE 4 N 1.16 1.89 -0.02 2.92 1.09 -0.39 -4.98 121.20 122.87 3inn s ILE 4 Ca 0.05 -1.74 0.02 0.00 -1.10 0.00 0.00 60.65 57.87 3inn s ILE 4 Cb -0.14 -1.77 -0.03 0.00 -1.06 0.00 0.00 42.46 39.46 3inn s ILE 4 CO 0.04 -0.12 0.01 1.41 -0.10 0.00 0.00 174.94 176.17 3inn n HIS 5 N 0.73 0.00 -4.13 3.97 8.25 -1.26 -0.98 115.22 121.80 3inn n HIS 5 Ca -0.17 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.04 3inn n HIS 5 Cb 0.55 -0.10 -0.06 0.00 1.12 0.00 0.00 29.99 31.50 3inn n HIS 5 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3inn s THR 6 N -2.05 4.23 0.12 1.59 -4.23 -1.26 -3.88 115.64 110.15 3inn s THR 6 Ca -0.01 -1.24 -0.20 0.00 -1.18 0.00 0.00 61.69 59.06 3inn s THR 6 Cb 0.01 -3.17 -0.07 0.00 1.34 0.00 0.00 72.50 70.61 3inn s THR 6 CO 0.08 -0.14 1.74 0.40 -0.54 0.00 0.00 174.62 176.16 3inn h ILE 7 N 2.10 1.09 -0.57 2.99 2.04 -1.98 -0.91 117.51 122.27 3inn h ILE 7 Ca -0.47 -0.21 -0.07 0.00 1.00 0.00 0.00 64.86 65.11 3inn h ILE 7 Cb 1.21 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 3inn h ILE 7 CO 0.61 0.08 0.07 -0.08 0.00 0.00 0.00 178.15 178.84 3inn h GLU 8 N 0.26 0.93 -0.55 2.37 4.57 -1.97 -1.05 114.58 119.14 3inn h GLU 8 Ca 0.08 -0.23 -0.04 0.00 -1.18 0.00 0.00 59.36 57.99 3inn h GLU 8 Cb 0.02 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.47 3inn h GLU 8 CO -0.01 0.87 0.20 0.93 -1.18 0.00 0.00 179.01 179.81 3inn h GLU 9 N 0.87 0.80 -0.22 1.92 5.08 -1.91 -1.63 114.58 119.49 3inn h GLU 9 Ca 0.18 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 3inn h GLU 9 Cb 0.41 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3inn h GLU 9 CO 0.01 0.68 -0.07 1.25 -1.00 0.00 0.00 179.01 179.88 3inn h LEU 10 N 0.79 0.44 -0.32 1.33 6.46 -0.62 -1.30 115.31 122.09 3inn h LEU 10 Ca 0.18 -0.38 0.01 0.00 -0.12 0.00 0.00 57.88 57.57 3inn h LEU 10 Cb 0.19 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 39.98 3inn h LEU 10 CO -0.01 0.73 0.20 0.03 -0.62 0.00 0.00 178.44 178.77 3inn h ARG 11 N 0.16 0.40 -0.65 1.25 3.08 -1.06 -1.56 114.38 116.01 3inn h ARG 11 Ca 0.05 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 3inn h ARG 11 Cb 0.54 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 3inn h ARG 11 CO 0.03 0.27 0.26 1.96 -1.07 0.00 0.00 179.97 181.42 3inn h GLN 12 N 0.42 0.97 -0.51 0.04 4.20 -1.26 -2.39 115.11 116.58 3inn h GLN 12 Ca 0.12 -0.18 0.08 0.00 0.06 0.00 0.00 58.65 58.74 3inn h GLN 12 Cb -0.04 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.56 3inn h GLN 12 CO -0.03 0.81 0.34 0.00 -0.67 0.00 0.00 178.83 179.28 3inn h ALA 13 N 1.11 2.03 -0.01 3.87 0.00 -0.77 -2.41 119.26 123.08 3inn h ALA 13 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3inn h ALA 13 Cb 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3inn h ALA 13 CO -0.02 -0.14 -0.26 1.28 0.00 0.00 0.00 179.25 180.12 3inn n LEU 14 N -4.47 1.44 -0.16 0.00 4.77 -0.63 -4.40 117.00 113.55 3inn n LEU 14 Ca 0.08 -0.45 -0.01 0.00 -0.03 0.00 0.00 56.01 55.59 3inn n LEU 14 Cb 0.33 -0.07 0.23 0.00 -2.33 0.00 0.00 43.42 41.58 3inn n LEU 14 CO 0.34 0.26 1.11 0.00 -1.33 0.00 0.00 177.39 177.78 3inn h ALA 15 N 3.89 1.36 -0.38 -1.18 0.00 -0.95 -1.91 119.26 120.09 3inn h ALA 15 Ca 0.00 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 3inn h ALA 15 Cb 0.59 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3inn h ALA 15 CO 0.00 0.50 -0.35 -1.35 0.00 0.00 0.00 179.25 178.05 3inn h PRO 16 N 0.89 0.90 -0.77 0.00 0.11 -1.78 -0.65 132.00 130.71 3inn h PRO 16 Ca 0.22 -0.47 0.07 0.00 0.11 0.00 0.00 66.00 65.93 3inn h PRO 16 Cb 0.08 0.01 -0.06 0.00 0.11 0.00 0.00 31.00 31.14 3inn h PRO 16 CO -0.03 1.12 0.44 0.00 -0.21 0.00 0.00 178.00 179.32 3inn h ALA 17 N 0.77 1.05 -0.55 -0.75 0.00 -1.78 -0.03 119.26 117.98 3inn h ALA 17 Ca 0.06 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3inn h ALA 17 Cb 0.94 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 3inn h ALA 17 CO 0.09 0.12 0.30 0.00 0.00 0.00 0.00 179.25 179.76 3inn h ARG 18 N 0.79 0.76 -0.50 0.00 3.08 -1.03 -0.59 114.38 116.89 3inn h ARG 18 Ca 0.35 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 60.26 3inn h ARG 18 Cb 0.24 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3inn h ARG 18 CO -0.20 0.59 0.12 0.37 -1.07 0.00 0.00 179.97 179.77 3inn h GLN 19 N 0.73 0.76 -0.00 0.04 4.15 -0.68 -2.21 115.11 117.90 3inn h GLN 19 Ca 0.19 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.46 3inn h GLN 19 Cb 0.05 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.62 3inn h GLN 19 CO -0.03 0.69 -0.03 1.04 -1.93 0.00 0.00 178.83 178.57 3inn n GLN 20 N -4.28 0.84 -2.36 1.69 6.02 -0.06 -4.92 117.38 114.30 3inn n GLN 20 Ca 0.03 -0.15 -0.15 0.00 -0.01 0.00 0.00 57.00 56.72 3inn n GLN 20 Cb 0.22 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 29.98 3inn n GLN 20 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3inn n GLY 21 N 1.16 -0.23 3.77 1.08 0.00 -0.70 -4.99 105.19 105.28 3inn n GLY 21 Ca 0.19 -0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 3inn n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3inn s LYS 22 N -4.83 4.25 -0.06 1.61 1.02 -0.31 -5.01 119.74 116.41 3inn s LYS 22 Ca 0.03 1.93 -0.29 0.00 0.02 0.00 0.00 55.97 57.66 3inn s LYS 22 Cb -0.01 -2.88 -0.02 0.00 -0.52 0.00 0.00 37.83 34.39 3inn s LYS 22 CO 0.04 -0.18 0.97 0.15 -0.92 0.00 0.00 175.35 175.42 3inn s LYS 23 N -1.99 4.48 -0.23 1.68 1.02 -1.26 -4.78 119.74 118.65 3inn s LYS 23 Ca 0.52 1.37 -0.06 0.00 0.02 0.00 0.00 55.97 57.82 3inn s LYS 23 Cb -0.33 -3.50 -0.02 0.00 -0.52 0.00 0.00 37.83 33.45 3inn s LYS 23 CO 0.43 -0.18 0.04 0.42 -0.92 0.00 0.00 175.35 175.13 3inn s ILE 24 N 1.51 4.07 -0.16 2.17 1.01 -1.26 -0.86 121.20 127.69 3inn s ILE 24 Ca 0.49 -0.26 -0.07 0.00 0.00 0.00 0.00 60.65 60.81 3inn s ILE 24 Cb -0.19 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 3inn s ILE 24 CO 0.22 0.37 0.09 -0.83 0.00 0.00 0.00 174.94 174.79 3inn s GLY 25 N 1.45 1.99 -0.09 6.18 0.00 0.37 -0.31 107.32 116.90 3inn s GLY 25 Ca 0.05 -0.72 0.02 0.00 0.00 0.00 0.00 44.72 44.08 3inn s GLY 25 CO 0.02 -0.11 -0.15 -0.12 0.00 0.00 0.00 173.10 172.74 3inn s PHE 26 N -0.13 1.87 -0.37 1.90 5.36 -0.07 -0.42 117.98 126.12 3inn s PHE 26 Ca 0.08 -0.81 0.04 0.00 -0.96 0.00 0.00 56.93 55.28 3inn s PHE 26 Cb -0.12 -1.34 0.10 0.00 -0.34 0.00 0.00 43.02 41.32 3inn s PHE 26 CO 0.01 -0.41 0.08 0.08 -1.46 0.00 0.00 175.22 173.53 3inn s VAL 27 N 0.82 2.33 0.18 3.12 1.01 -0.14 -1.35 120.40 126.37 3inn s VAL 27 Ca -0.10 -2.50 -0.30 0.00 0.00 0.00 0.00 61.98 59.07 3inn s VAL 27 Cb -0.16 -2.71 -0.08 0.00 0.00 0.00 0.00 36.38 33.44 3inn s VAL 27 CO 0.01 -0.63 0.96 -2.16 0.00 0.00 0.00 175.10 173.28 3inn s PRO 28 N 0.71 4.78 0.22 2.72 0.04 -1.26 -2.18 135.00 140.02 3inn s PRO 28 Ca 0.12 1.49 -0.08 0.00 0.04 0.00 0.00 61.00 62.56 3inn s PRO 28 Cb -0.20 -3.32 -0.02 0.00 0.04 0.00 0.00 34.50 31.00 3inn s PRO 28 CO -0.07 0.37 0.33 0.95 0.04 0.00 0.00 177.00 178.63 3inn s THR 29 N -0.66 0.01 -0.21 1.26 -4.23 -0.44 -4.92 115.64 106.45 3inn s THR 29 Ca 0.44 -1.60 0.15 0.00 -1.18 0.00 0.00 61.69 59.49 3inn s THR 29 Cb -0.25 -2.24 0.55 0.00 1.34 0.00 0.00 72.50 71.90 3inn s THR 29 CO 0.31 -0.06 1.47 0.23 -0.54 0.00 0.00 174.62 176.04 3inn n MET 30 N -0.31 2.84 0.00 3.99 2.81 -1.26 -1.89 117.12 123.29 3inn n MET 30 Ca -0.01 -2.93 0.00 0.00 -1.81 0.00 0.00 57.70 52.94 3inn n MET 30 Cb 0.63 -1.88 0.00 0.00 -0.71 0.00 0.00 33.22 31.26 3inn n MET 30 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3inn n GLY 31 N -0.57 -1.75 3.64 3.03 0.00 -1.26 -4.60 105.19 103.67 3inn n GLY 31 Ca 0.25 -1.39 -0.25 0.00 0.00 0.00 0.00 46.02 44.63 3inn n GLY 31 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3inn n TYR 32 N 0.00 -1.98 -2.51 1.61 4.01 -1.26 -4.87 117.16 112.15 3inn n TYR 32 Ca 0.00 0.67 -0.38 0.00 -0.16 0.00 0.00 57.90 58.03 3inn n TYR 32 Cb 0.00 -3.89 -0.04 0.00 -0.31 0.00 0.00 39.34 35.10 3inn n TYR 32 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3inn s LEU 33 N -6.40 4.26 0.00 7.72 1.43 -1.26 -4.65 118.68 119.78 3inn s LEU 33 Ca 0.28 2.12 0.05 0.00 -1.03 0.00 0.00 54.13 55.55 3inn s LEU 33 Cb -0.08 -4.02 -0.02 0.00 0.03 0.00 0.00 46.19 42.09 3inn s LEU 33 CO 0.83 -0.41 0.19 0.00 0.23 0.00 0.00 176.35 177.19 3inn n HIS 34 N 0.28 -0.44 -0.01 0.29 1.44 -1.26 -5.02 115.22 110.49 3inn n HIS 34 Ca 0.03 -2.11 0.14 0.00 -2.01 0.00 0.00 57.72 53.78 3inn n HIS 34 Cb 0.48 0.17 0.59 0.00 0.12 0.00 0.00 29.99 31.35 3inn n HIS 34 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 3inn h LYS 35 N 0.00 0.20 -0.65 -1.40 1.57 -1.98 -1.35 116.57 112.95 3inn h LYS 35 Ca -0.19 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 3inn h LYS 35 Cb 0.92 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.15 3inn h LYS 35 CO 0.29 0.13 0.41 0.78 -0.57 0.00 0.00 179.45 180.50 3inn h GLY 36 N 0.21 0.93 1.01 3.86 0.00 -1.92 -1.54 103.07 105.61 3inn h GLY 36 Ca 0.23 -0.37 0.01 0.00 0.00 0.00 0.00 47.33 47.20 3inn h GLY 36 CO -0.04 0.36 0.54 0.45 0.00 0.00 0.00 176.54 177.85 3inn h HIS 37 N 0.89 1.02 -0.38 5.60 3.86 -1.65 -2.06 115.15 122.42 3inn h HIS 37 Ca 0.24 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.42 3inn h HIS 37 Cb -0.06 -0.35 -0.02 0.00 1.06 0.00 0.00 27.41 28.04 3inn h HIS 37 CO -0.02 0.65 0.02 -0.07 0.86 0.00 0.00 177.93 179.36 3inn h LEU 38 N 1.10 0.56 -0.91 2.43 3.38 -1.16 -0.83 115.31 119.88 3inn h LEU 38 Ca 0.30 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 58.05 3inn h LEU 38 Cb -0.13 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3inn h LEU 38 CO -0.06 0.62 -0.35 -0.08 0.09 0.00 0.00 178.44 178.65 3inn h GLU 39 N 0.57 0.37 -0.35 1.13 4.57 -0.94 -0.18 114.58 119.75 3inn h GLU 39 Ca 0.12 -0.16 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 3inn h GLU 39 Cb 0.34 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.90 3inn h GLU 39 CO 0.01 0.68 0.21 -0.07 -1.18 0.00 0.00 179.01 178.66 3inn h LEU 40 N 0.32 0.42 -0.59 1.64 3.38 -0.54 -0.29 115.31 119.64 3inn h LEU 40 Ca 0.04 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 57.98 3inn h LEU 40 Cb 0.77 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 3inn h LEU 40 CO 0.06 0.34 0.36 0.58 0.09 0.00 0.00 178.44 179.87 3inn h VAL 41 N 0.46 1.07 -0.44 1.22 2.07 -1.01 -1.23 116.25 118.39 3inn h VAL 41 Ca 0.13 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 3inn h VAL 41 Cb -0.00 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 3inn h VAL 41 CO -0.02 0.13 0.13 -0.09 0.02 0.00 0.00 177.57 177.74 3inn h ARG 42 N 0.72 0.68 -0.34 1.57 2.43 -0.72 -0.65 114.38 118.07 3inn h ARG 42 Ca 0.24 -0.15 0.03 0.00 -0.81 0.00 0.00 59.98 59.28 3inn h ARG 42 Cb 0.02 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 3inn h ARG 42 CO -0.10 0.67 0.16 0.00 -1.51 0.00 0.00 179.97 179.19 3inn h ARG 43 N 0.57 0.32 -0.55 0.20 2.47 -0.83 -1.69 114.38 114.86 3inn h ARG 43 Ca 0.14 -0.02 0.05 0.00 -1.26 0.00 0.00 59.98 58.89 3inn h ARG 43 Cb 0.27 -0.07 -0.05 0.00 -1.65 0.00 0.00 29.97 28.48 3inn h ARG 43 CO -0.00 0.21 0.29 0.00 0.56 0.00 0.00 179.97 181.03 3inn h ALA 44 N 1.18 0.72 -0.28 0.04 0.00 -0.61 -2.45 119.26 117.85 3inn h ALA 44 Ca 0.14 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3inn h ALA 44 Cb 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3inn h ALA 44 CO -0.11 -0.04 -0.21 0.00 0.00 0.00 0.00 179.25 178.89 3inn h ARG 45 N 0.57 0.53 -0.91 0.00 3.08 -0.91 -1.10 114.38 115.64 3inn h ARG 45 Ca 0.24 -0.19 0.06 0.00 0.07 0.00 0.00 59.98 60.16 3inn h ARG 45 Cb 0.13 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.09 3inn h ARG 45 CO -0.16 0.71 0.59 0.28 -1.07 0.00 0.00 179.97 180.32 3inn h VAL 46 N 0.47 1.09 -0.01 2.04 2.07 -0.85 -3.24 116.25 117.81 3inn h VAL 46 Ca 0.07 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.23 3inn h VAL 46 Cb 0.63 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 3inn h VAL 46 CO 0.04 0.19 -0.34 -0.62 0.02 0.00 0.00 177.57 176.87 3inn n GLU 47 N -4.48 1.65 -4.22 1.57 1.02 -0.94 -5.00 120.64 110.25 3inn n GLU 47 Ca 0.13 -0.82 -0.13 0.00 -0.02 0.00 0.00 57.16 56.33 3inn n GLU 47 Cb 0.18 -1.28 -0.10 0.00 -0.02 0.00 0.00 31.44 30.21 3inn n GLU 47 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3inn s ASN 48 N -1.92 1.30 0.07 1.62 0.01 -0.46 -5.00 114.94 110.57 3inn s ASN 48 Ca 0.14 -1.10 0.06 0.00 -0.71 0.00 0.00 52.86 51.25 3inn s ASN 48 Cb 0.13 0.09 -0.23 0.00 0.41 0.00 0.00 41.25 41.65 3inn s ASN 48 CO 0.41 -0.50 1.11 0.44 -1.51 0.00 0.00 177.10 177.06 3inn h ASP 49 N 2.79 0.08 -3.76 -1.22 3.32 -1.29 -3.44 116.42 112.90 3inn h ASP 49 Ca -0.36 -0.10 -0.39 0.00 0.02 0.00 0.00 57.03 56.20 3inn h ASP 49 Cb 1.19 -0.03 -0.31 0.00 0.22 0.00 0.00 39.33 40.40 3inn h ASP 49 CO 0.64 1.08 -0.77 -0.69 -1.72 0.00 0.00 179.24 177.77 3inn s VAL 50 N -2.67 0.61 -0.12 -1.35 1.01 -0.58 -4.97 120.40 112.33 3inn s VAL 50 Ca -0.02 -0.26 0.03 0.00 0.00 0.00 0.00 61.98 61.74 3inn s VAL 50 Cb 0.09 -0.56 0.01 0.00 0.00 0.00 0.00 36.38 35.91 3inn s VAL 50 CO 0.83 0.20 -0.22 -0.89 0.00 0.00 0.00 175.10 175.03 3inn s THR 51 N 0.29 1.97 -0.11 3.92 2.01 -1.26 -0.48 115.64 121.97 3inn s THR 51 Ca -0.04 -0.94 0.03 0.00 0.31 0.00 0.00 61.69 61.05 3inn s THR 51 Cb -0.08 -1.73 0.00 0.00 0.01 0.00 0.00 72.50 70.70 3inn s THR 51 CO 0.00 0.54 -0.23 -0.22 -0.69 0.00 0.00 174.62 174.02 3inn s LEU 52 N 0.63 2.08 -0.08 4.42 0.20 0.44 -1.20 118.68 125.17 3inn s LEU 52 Ca -0.12 -0.57 0.02 0.00 0.69 0.00 0.00 54.13 54.15 3inn s LEU 52 Cb -0.17 -1.40 -0.02 0.00 -0.43 0.00 0.00 46.19 44.17 3inn s LEU 52 CO 0.03 0.13 -0.13 -0.69 -0.29 0.00 0.00 176.35 175.41 3inn s VAL 53 N 0.50 3.19 -0.03 1.68 1.01 -0.15 -0.96 120.40 125.63 3inn s VAL 53 Ca -0.15 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.15 3inn s VAL 53 Cb -0.17 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 3inn s VAL 53 CO 0.05 0.57 0.10 -0.94 0.00 0.00 0.00 175.10 174.89 3inn s SER 54 N -0.44 5.86 -0.22 3.32 1.04 -0.93 -0.38 113.70 121.94 3inn s SER 54 Ca 0.06 0.23 0.02 0.00 0.48 0.00 0.00 55.95 56.73 3inn s SER 54 Cb -0.12 -1.74 0.05 0.00 0.10 0.00 0.00 66.02 64.30 3inn s SER 54 CO 0.02 0.30 -0.11 -0.63 0.98 0.00 0.00 173.24 173.80 3inn s ILE 55 N -1.16 1.86 -0.21 -1.02 1.01 -0.18 -1.33 121.20 120.18 3inn s ILE 55 Ca 0.21 -1.23 -0.08 0.00 0.00 0.00 0.00 60.65 59.55 3inn s ILE 55 Cb -0.12 -1.93 0.09 0.00 0.01 0.00 0.00 42.46 40.51 3inn s ILE 55 CO 0.12 0.12 0.46 0.12 0.00 0.00 0.00 174.94 175.76 3inn s PHE 56 N 1.28 -0.85 -0.54 3.97 5.36 -0.79 -4.11 117.98 122.30 3inn s PHE 56 Ca -0.03 1.62 -0.23 0.00 -0.96 0.00 0.00 56.93 57.32 3inn s PHE 56 Cb -0.17 0.38 0.04 0.00 -0.34 0.00 0.00 43.02 42.93 3inn s PHE 56 CO -0.08 -0.49 0.90 0.08 -1.46 0.00 0.00 175.22 174.18 3inn s VAL 57 N 2.41 4.46 -0.37 3.12 1.01 -1.26 -4.32 120.40 125.45 3inn s VAL 57 Ca -0.04 0.18 -0.23 0.00 0.00 0.00 0.00 61.98 61.90 3inn s VAL 57 Cb -0.11 -4.50 0.01 0.00 0.00 0.00 0.00 36.38 31.77 3inn s VAL 57 CO -0.14 -1.07 0.77 0.21 0.00 0.00 0.00 175.10 174.88 3inn s ASN 58 N 2.81 6.54 0.58 3.32 2.47 -1.26 -4.95 114.94 124.44 3inn s ASN 58 Ca 0.28 0.32 0.33 0.00 0.42 0.00 0.00 52.86 54.22 3inn s ASN 58 Cb -0.13 -2.39 1.78 0.00 -1.45 0.00 0.00 41.25 39.05 3inn s ASN 58 CO 0.18 -0.73 2.18 1.55 -3.72 0.00 0.00 177.10 176.56 3inn h PRO 59 N 8.49 0.00 0.00 0.43 0.13 -1.94 -2.65 132.00 136.46 3inn h PRO 59 Ca -0.25 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.87 3inn h PRO 59 Cb 1.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 3inn h PRO 59 CO 0.91 0.05 -0.05 -0.07 -0.23 0.00 0.00 178.00 178.61 3inn h LEU 60 N 0.00 0.00 -2.74 1.56 3.38 -1.92 -1.54 115.31 114.05 3inn h LEU 60 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3inn h LEU 60 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3inn h LEU 60 CO 0.01 0.05 0.00 0.00 0.09 0.00 0.00 178.44 178.59 3inn n GLN 61 N -3.22 2.97 -4.65 1.13 10.64 -1.00 -4.08 117.38 119.18 3inn n GLN 61 Ca -0.00 -2.62 -0.30 0.00 -1.83 0.00 0.00 57.00 52.25 3inn n GLN 61 Cb 0.27 -1.66 -0.09 0.00 -0.86 0.00 0.00 30.24 27.90 3inn n GLN 61 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 3inn s PHE 62 N -1.32 2.26 0.86 2.61 0.08 -0.58 -5.01 117.98 116.90 3inn s PHE 62 Ca 0.48 -0.78 -0.12 0.00 0.12 0.00 0.00 56.93 56.63 3inn s PHE 62 Cb 0.27 -1.72 0.11 0.00 -0.57 0.00 0.00 43.02 41.11 3inn s PHE 62 CO 0.29 0.35 1.11 0.20 -0.10 0.00 0.00 175.22 177.07 3inn s GLY 63 N -3.79 1.60 -0.63 4.36 0.00 -1.26 -4.90 107.32 102.70 3inn s GLY 63 Ca 0.24 -0.32 -0.24 0.00 0.00 0.00 0.00 44.72 44.40 3inn s GLY 63 CO 0.12 0.18 1.85 0.00 0.00 0.00 0.00 173.10 175.25 3inn n ALA 64 N -3.66 2.51 0.00 3.20 0.00 -1.26 -4.99 120.51 116.31 3inn n ALA 64 Ca 0.07 -3.11 0.00 0.00 0.00 0.00 0.00 53.44 50.39 3inn n ALA 64 Cb 0.57 -3.65 0.00 0.00 0.00 0.00 0.00 19.45 16.38 3inn n ALA 64 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3inn n ASN 65 N 8.75 0.00 0.00 0.00 2.04 -1.26 -5.28 115.26 119.51 3inn n ASN 65 Ca 0.48 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.62 3inn n ASN 65 Cb 0.41 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.66 3inn n ASN 65 CO 0.00 0.00 0.00 -0.11 -0.44 0.00 0.00 177.26 176.71 3inn n LEU 75 N 0.00 0.00 0.00 -4.53 -0.00 -1.26 -5.19 117.00 106.02 3inn n LEU 75 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 56.01 55.95 3inn n LEU 75 Cb 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 43.42 43.56 3inn n LEU 75 CO 0.00 0.00 0.64 -0.33 -0.00 0.00 0.00 177.39 177.70 3inn h GLU 76 N 0.00 0.52 0.20 1.96 4.39 -2.05 0.34 114.58 119.95 3inn h GLU 76 Ca 0.00 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.45 3inn h GLU 76 Cb 0.00 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 3inn h GLU 76 CO 0.00 0.80 -0.10 -0.09 -1.16 0.00 0.00 179.01 178.47 3inn h ARG 77 N 0.44 -0.26 -0.17 2.33 2.43 -2.04 -1.81 114.38 115.30 3inn h ARG 77 Ca 0.05 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.27 3inn h ARG 77 Cb 0.82 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.40 3inn h ARG 77 CO 0.07 -0.09 -0.05 -0.44 -1.51 0.00 0.00 179.97 177.95 3inn h ASP 78 N -0.39 -0.17 -0.95 -3.80 3.32 -1.90 -1.68 116.42 110.86 3inn h ASP 78 Ca -0.03 0.05 0.05 0.00 0.02 0.00 0.00 57.03 57.13 3inn h ASP 78 Cb 0.30 0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.90 3inn h ASP 78 CO 0.05 -0.06 0.62 0.00 -1.72 0.00 0.00 179.24 178.12 3inn h ALA 79 N 1.15 1.43 -0.33 3.45 0.00 -0.94 -1.47 119.26 122.56 3inn h ALA 79 Ca 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3inn h ALA 79 Cb 0.14 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3inn h ALA 79 CO -0.18 0.45 0.18 0.78 0.00 0.00 0.00 179.25 180.48 3inn h GLY 80 N 1.14 0.49 0.96 0.00 0.00 -0.79 0.32 103.07 105.19 3inn h GLY 80 Ca 0.39 -0.23 0.02 0.00 0.00 0.00 0.00 47.33 47.52 3inn h GLY 80 CO -0.14 0.22 0.63 1.41 0.00 0.00 0.00 176.54 178.66 3inn h LEU 81 N 0.41 1.08 -0.35 3.11 3.38 -0.72 -0.52 115.31 121.70 3inn h LEU 81 Ca 0.12 -0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.87 3inn h LEU 81 Cb 0.07 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 3inn h LEU 81 CO -0.02 0.77 -0.66 -0.07 0.09 0.00 0.00 178.44 178.55 3inn h LEU 82 N 1.27 0.73 -0.17 1.67 3.38 -0.74 -0.58 115.31 120.87 3inn h LEU 82 Ca 0.36 -0.44 0.02 0.00 0.09 0.00 0.00 57.88 57.91 3inn h LEU 82 Cb -0.10 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 3inn h LEU 82 CO -0.09 1.20 0.06 -0.74 0.09 0.00 0.00 178.44 178.95 3inn h HIS 83 N 0.46 0.10 -0.11 1.13 2.76 -0.10 -2.13 115.15 117.27 3inn h HIS 83 Ca -0.02 0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.08 3inn h HIS 83 Cb 1.25 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 30.17 3inn h HIS 83 CO 0.06 0.05 -0.28 -0.44 -1.30 0.00 0.00 177.93 176.02 3inn h ASP 84 N 0.14 0.19 0.09 3.26 3.32 -0.95 -1.89 116.42 120.59 3inn h ASP 84 Ca 0.07 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3inn h ASP 84 Cb 0.04 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.54 3inn h ASP 84 CO -0.07 0.48 0.00 0.00 -1.72 0.00 0.00 179.24 177.93 3inn n ALA 85 N -2.48 2.34 -2.62 3.45 0.00 -0.24 -4.91 120.51 116.05 3inn n ALA 85 Ca -0.01 -0.14 -0.10 0.00 0.00 0.00 0.00 53.44 53.19 3inn n ALA 85 Cb 0.37 -1.38 0.02 0.00 0.00 0.00 0.00 19.45 18.46 3inn n ALA 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3inn n GLN 86 N -1.06 -2.22 -2.45 0.00 1.13 -0.71 -4.95 117.38 107.11 3inn n GLN 86 Ca 0.16 0.39 -0.40 0.00 -1.94 0.00 0.00 57.00 55.22 3inn n GLN 86 Cb 0.10 -4.16 -0.04 0.00 0.11 0.00 0.00 30.24 26.25 3inn n GLN 86 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3inn s VAL 87 N -2.83 3.45 -0.00 5.09 1.01 -0.85 -4.92 120.40 121.35 3inn s VAL 87 Ca 0.14 1.39 -0.11 0.00 0.00 0.00 0.00 61.98 63.40 3inn s VAL 87 Cb -0.06 -3.86 -0.32 0.00 0.00 0.00 0.00 36.38 32.14 3inn s VAL 87 CO 0.17 0.28 0.86 0.44 0.00 0.00 0.00 175.10 176.85 3inn h ASP 88 N 3.51 0.65 -3.60 3.32 3.32 -1.51 -3.36 116.42 118.74 3inn h ASP 88 Ca -0.47 -0.82 -0.26 0.00 0.02 0.00 0.00 57.03 55.50 3inn h ASP 88 Cb 1.21 -0.21 -0.31 0.00 0.22 0.00 0.00 39.33 40.24 3inn h ASP 88 CO 0.66 1.67 -0.71 -0.31 -1.72 0.00 0.00 179.24 178.83 3inn s TYR 89 N -2.60 -0.01 -0.24 4.55 2.02 -0.93 -1.87 117.35 118.27 3inn s TYR 89 Ca -0.11 0.12 -0.05 0.00 -0.37 0.00 0.00 57.07 56.67 3inn s TYR 89 Cb 0.05 -0.12 -0.00 0.00 -0.40 0.00 0.00 41.96 41.49 3inn s TYR 89 CO 0.89 -0.06 -0.00 -1.17 -1.57 0.00 0.00 175.55 173.63 3inn s LEU 90 N 0.64 3.21 -0.38 -1.29 2.96 -0.19 -0.98 118.68 122.65 3inn s LEU 90 Ca -0.05 -0.50 -0.15 0.00 -0.22 0.00 0.00 54.13 53.20 3inn s LEU 90 Cb -0.07 -1.78 0.00 0.00 0.50 0.00 0.00 46.19 44.84 3inn s LEU 90 CO -0.02 -0.07 0.36 0.12 -1.32 0.00 0.00 176.35 175.41 3inn s PHE 91 N 1.48 3.21 -0.57 5.38 5.36 0.49 -1.27 117.98 132.06 3inn s PHE 91 Ca 0.04 -0.28 0.06 0.00 -0.96 0.00 0.00 56.93 55.79 3inn s PHE 91 Cb -0.15 -2.70 0.22 0.00 -0.34 0.00 0.00 43.02 40.05 3inn s PHE 91 CO -0.01 -0.54 0.59 0.00 -1.46 0.00 0.00 175.22 173.80 3inn n ALA 92 N 5.37 3.40 -1.70 11.12 0.00 -0.15 -1.01 120.51 137.54 3inn n ALA 92 Ca -0.09 -4.20 -0.33 0.00 0.00 0.00 0.00 53.44 48.82 3inn n ALA 92 Cb 0.48 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.05 3inn n ALA 92 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3inn s PRO 93 N -1.67 3.42 0.79 0.00 0.04 -1.25 -4.57 135.00 131.76 3inn s PRO 93 Ca 0.35 1.15 -0.12 0.00 0.04 0.00 0.00 61.00 62.42 3inn s PRO 93 Cb 0.10 -2.05 0.06 0.00 0.04 0.00 0.00 34.50 32.65 3inn s PRO 93 CO -0.09 -0.72 1.11 0.95 0.04 0.00 0.00 177.00 178.29 3inn s THR 94 N -2.51 3.02 0.27 1.26 -4.23 -1.26 -4.85 115.64 107.33 3inn s THR 94 Ca 0.62 0.33 -0.00 0.00 -1.18 0.00 0.00 61.69 61.46 3inn s THR 94 Cb -0.15 -3.15 0.25 0.00 1.34 0.00 0.00 72.50 70.79 3inn s THR 94 CO 0.37 -0.43 1.76 0.58 -0.54 0.00 0.00 174.62 176.35 3inn h VAL 95 N -1.01 0.70 -0.01 2.29 2.07 -1.95 -1.41 116.25 116.93 3inn h VAL 95 Ca -0.47 -0.21 -0.08 0.00 0.82 0.00 0.00 66.70 66.76 3inn h VAL 95 Cb 1.27 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 3inn h VAL 95 CO 0.61 0.11 -0.38 0.28 0.02 0.00 0.00 177.57 178.21 3inn h SER 96 N 0.60 0.02 -0.29 0.57 0.02 -1.94 0.51 113.55 113.04 3inn h SER 96 Ca 0.48 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.34 3inn h SER 96 Cb 0.70 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 3inn h SER 96 CO -0.38 0.40 -0.06 0.44 -1.14 0.00 0.00 176.83 176.08 3inn h ASP 97 N 0.02 0.65 0.11 3.07 3.32 -1.60 -2.28 116.42 119.70 3inn h ASP 97 Ca -0.00 -0.17 -0.28 0.00 0.02 0.00 0.00 57.03 56.60 3inn h ASP 97 Cb 0.68 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 3inn h ASP 97 CO 0.05 0.76 -1.44 0.24 -1.72 0.00 0.00 179.24 177.13 3inn h MET 98 N 0.62 0.24 -2.40 3.56 2.86 -0.94 -3.43 114.93 115.44 3inn h MET 98 Ca 0.12 -0.40 -0.60 0.00 -2.06 0.00 0.00 59.70 56.76 3inn h MET 98 Cb 0.49 0.15 -0.41 0.00 0.06 0.00 0.00 31.60 31.89 3inn h MET 98 CO 0.03 1.19 -0.73 0.66 1.06 0.00 0.00 176.91 179.12 3inn n TYR 99 N -3.91 2.30 0.30 -0.22 4.01 0.17 -4.95 117.16 114.85 3inn n TYR 99 Ca -0.26 -3.99 0.17 0.00 -0.16 0.00 0.00 57.90 53.66 3inn n TYR 99 Cb 0.90 -0.45 0.95 0.00 -0.31 0.00 0.00 39.34 40.43 3inn n TYR 99 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3inn h PRO 100 N 4.61 0.00 -4.47 -0.72 0.13 -1.61 -3.40 132.00 126.54 3inn h PRO 100 Ca 0.17 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.12 3inn h PRO 100 Cb 0.75 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.73 3inn h PRO 100 CO 0.69 0.03 -0.68 -0.98 -0.23 0.00 0.00 178.00 176.83 3inn s ARG 101 N -4.30 0.79 0.43 0.86 1.70 -1.26 -5.04 118.95 112.13 3inn s ARG 101 Ca -0.04 -1.33 -0.26 0.00 -0.47 0.00 0.00 55.73 53.64 3inn s ARG 101 Cb 0.13 0.02 -0.08 0.00 -0.57 0.00 0.00 34.95 34.45 3inn s ARG 101 CO 0.51 -0.10 1.35 -2.14 -1.08 0.00 0.00 175.30 173.85 3inn s PRO 102 N -3.91 3.83 0.11 3.89 0.02 -1.26 -4.93 135.00 132.75 3inn s PRO 102 Ca 0.13 2.26 -0.31 0.00 0.02 0.00 0.00 61.00 63.10 3inn s PRO 102 Cb 0.07 -2.70 -0.09 0.00 0.02 0.00 0.00 34.50 31.80 3inn s PRO 102 CO -0.05 -0.64 1.61 -1.64 -0.33 0.00 0.00 177.00 175.94 3inn s MET 103 N -2.35 4.21 -0.02 5.54 -1.94 -1.26 -4.90 119.30 118.58 3inn s MET 103 Ca 0.59 2.32 0.19 0.00 -1.71 0.00 0.00 55.69 57.08 3inn s MET 103 Cb -0.40 -3.42 -0.26 0.00 2.01 0.00 0.00 34.83 32.76 3inn s MET 103 CO 0.52 -0.67 0.53 1.04 -0.01 0.00 0.00 175.02 176.42 3inn n GLN 104 N 4.92 0.71 -3.16 2.03 6.02 -1.26 -4.98 117.38 121.65 3inn n GLN 104 Ca 0.15 -0.12 -0.39 0.00 -0.01 0.00 0.00 57.00 56.63 3inn n GLN 104 Cb 0.40 -1.42 -0.06 0.00 1.02 0.00 0.00 30.24 30.19 3inn n GLN 104 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3inn s THR 105 N -3.11 4.81 -0.05 5.09 2.01 -1.26 -5.07 115.64 118.05 3inn s THR 105 Ca -0.02 1.34 0.04 0.00 0.31 0.00 0.00 61.69 63.36 3inn s THR 105 Cb 0.13 -3.97 0.00 0.00 0.01 0.00 0.00 72.50 68.66 3inn s THR 105 CO 0.77 0.44 -0.16 -0.69 -0.69 0.00 0.00 174.62 174.28 3inn s VAL 106 N -0.39 1.39 -0.09 3.82 1.01 -1.26 -5.05 120.40 119.82 3inn s VAL 106 Ca 0.32 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.63 3inn s VAL 106 Cb -0.19 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 3inn s VAL 106 CO 0.19 0.40 -0.09 -0.69 0.00 0.00 0.00 175.10 174.92 3inn s VAL 107 N 0.19 3.48 0.08 2.92 1.01 -1.26 -5.04 120.40 121.78 3inn s VAL 107 Ca -0.07 -0.54 -0.08 0.00 0.00 0.00 0.00 61.98 61.29 3inn s VAL 107 Cb -0.13 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 3inn s VAL 107 CO 0.03 0.56 0.17 -0.62 0.00 0.00 0.00 175.10 175.24 3inn s ASP 108 N -0.33 0.15 -0.56 3.32 -1.08 -1.26 -3.62 116.67 113.29 3inn s ASP 108 Ca 0.04 -0.67 0.06 0.00 -0.52 0.00 0.00 52.55 51.46 3inn s ASP 108 Cb -0.13 0.32 0.22 0.00 -1.46 0.00 0.00 42.92 41.87 3inn s ASP 108 CO 0.02 -0.71 0.57 0.52 0.52 0.00 0.00 175.17 176.09 3inn n VAL 109 N -0.01 0.91 -0.23 1.11 0.31 -1.26 -5.03 118.33 114.12 3inn n VAL 109 Ca -0.15 -4.57 -0.01 0.00 -0.01 0.00 0.00 64.34 59.60 3inn n VAL 109 Cb 0.62 -2.02 0.10 0.00 -0.91 0.00 0.00 33.84 31.64 3inn n VAL 109 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3inn h PRO 110 N 4.68 0.65 -0.00 5.55 0.11 -1.98 0.49 132.00 141.49 3inn h PRO 110 Ca 0.17 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.19 3inn h PRO 110 Cb 0.77 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.73 3inn h PRO 110 CO 0.65 0.43 -0.24 -1.35 -0.21 0.00 0.00 178.00 177.28 3inn h PRO 111 N 0.67 0.00 0.13 1.05 0.11 -1.98 0.80 132.00 132.78 3inn h PRO 111 Ca 0.30 -0.00 -0.31 0.00 0.11 0.00 0.00 66.00 66.11 3inn h PRO 111 Cb 0.21 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.32 3inn h PRO 111 CO -0.19 0.24 -1.52 -0.07 -0.21 0.00 0.00 178.00 176.25 3inn h LEU 112 N 0.00 0.42 -0.65 2.35 3.38 -1.72 -3.36 115.31 115.74 3inn h LEU 112 Ca -0.00 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.40 3inn h LEU 112 Cb 0.42 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3inn h LEU 112 CO 0.03 1.47 0.00 1.23 0.09 0.00 0.00 178.44 181.26 3inn h GLY 113 N 1.56 0.00 -1.62 0.83 0.00 -0.27 -2.75 103.07 100.82 3inn h GLY 113 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.09 3inn h GLY 113 CO 0.17 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.41 3inn n ASN 114 N -2.77 2.38 -4.94 0.19 4.13 0.22 -3.98 115.26 110.49 3inn n ASN 114 Ca 0.03 -1.99 -0.24 0.00 1.68 0.00 0.00 54.58 54.05 3inn n ASN 114 Cb 0.37 -0.29 -0.00 0.00 -1.54 0.00 0.00 39.78 38.32 3inn n ASN 114 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3inn s GLN 115 N -1.42 3.39 6.20 3.52 -1.52 -1.04 -2.52 119.66 126.28 3inn s GLN 115 Ca 0.30 -0.26 0.00 0.00 -1.95 0.00 0.00 55.36 53.45 3inn s GLN 115 Cb 0.16 -2.57 0.00 0.00 -0.22 0.00 0.00 33.01 30.37 3inn s GLN 115 CO 0.21 -0.03 0.00 -0.89 -0.25 0.00 0.00 175.29 174.33 3inn n ILE 116 N -1.96 0.00 -0.02 1.08 5.41 -1.26 -0.52 119.36 122.10 3inn n ILE 116 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.73 3inn n ILE 116 Cb 0.56 0.00 0.30 0.00 -0.71 0.00 0.00 39.64 39.80 3inn n ILE 116 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 176.55 177.60 3inn h GLU 117 N 0.00 0.56 0.00 0.38 4.11 -1.92 -1.74 114.58 115.97 3inn h GLU 117 Ca 0.00 -0.10 0.00 0.00 0.07 0.00 0.00 59.36 59.33 3inn h GLU 117 Cb 0.00 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3inn h GLU 117 CO 0.00 0.54 0.00 0.41 0.07 0.00 0.00 179.01 180.03 3inn n GLY 118 N -0.97 -0.38 2.93 1.06 0.00 0.33 -4.78 105.19 103.37 3inn n GLY 118 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3inn n GLY 118 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3inn n GLU 119 N -1.25 0.00 -4.02 1.61 1.02 -0.66 -3.31 120.64 114.04 3inn n GLU 119 Ca 0.02 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.85 3inn n GLU 119 Cb 0.03 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.30 3inn n GLU 119 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3inn s ALA 120 N -0.42 2.76 0.28 0.62 0.00 -1.26 -4.43 121.76 119.31 3inn s ALA 120 Ca 0.00 -2.31 -0.05 0.00 0.00 0.00 0.00 51.96 49.60 3inn s ALA 120 Cb 0.00 -1.86 -0.01 0.00 0.00 0.00 0.00 23.12 21.25 3inn s ALA 120 CO 0.00 -1.56 0.39 1.03 0.00 0.00 0.00 175.76 175.62 3inn s ARG 121 N 0.98 1.63 1.45 0.00 0.52 -1.21 -5.16 118.95 117.16 3inn s ARG 121 Ca 0.06 -1.58 -0.23 0.00 -0.52 0.00 0.00 55.73 53.46 3inn s ARG 121 Cb -0.19 0.41 0.38 0.00 0.52 0.00 0.00 34.95 36.06 3inn s ARG 121 CO -0.08 -0.65 0.91 -2.14 0.02 0.00 0.00 175.30 173.36 3inn s PRO 122 N -3.63 -3.15 -0.53 3.54 0.02 -1.26 -4.74 135.00 125.24 3inn s PRO 122 Ca 0.30 0.16 -0.16 0.00 0.02 0.00 0.00 61.00 61.32 3inn s PRO 122 Cb 0.01 -1.35 -0.16 0.00 0.02 0.00 0.00 34.50 33.03 3inn s PRO 122 CO 0.15 -5.03 1.57 0.41 -0.33 0.00 0.00 177.00 173.78 3inn n GLY 123 N 1.65 -0.18 0.42 0.52 0.00 -1.26 -4.71 105.19 101.64 3inn n GLY 123 Ca 0.13 -0.06 0.23 0.00 0.00 0.00 0.00 46.02 46.31 3inn n GLY 123 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3inn h HIS 124 N 10.28 0.29 -0.23 1.61 2.76 -1.85 -2.34 115.15 125.67 3inn h HIS 124 Ca 0.03 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 3inn h HIS 124 Cb 0.93 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.80 3inn h HIS 124 CO 1.21 0.07 0.00 1.19 -1.30 0.00 0.00 177.93 179.10 3inn n PHE 125 N -4.41 0.40 -0.19 5.26 3.01 -1.26 -4.63 117.46 115.63 3inn n PHE 125 Ca 0.18 -0.59 -0.07 0.00 1.01 0.00 0.00 57.45 57.98 3inn n PHE 125 Cb 0.79 -0.08 0.03 0.00 -0.01 0.00 0.00 39.48 40.20 3inn n PHE 125 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3inn h ALA 126 N 1.37 0.71 -0.38 4.37 0.00 -1.63 -0.72 119.26 122.97 3inn h ALA 126 Ca 0.00 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.86 3inn h ALA 126 Cb 0.80 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3inn h ALA 126 CO 0.03 0.20 0.18 0.78 0.00 0.00 0.00 179.25 180.44 3inn h GLY 127 N 0.74 0.51 0.90 0.00 0.00 -1.76 0.17 103.07 103.63 3inn h GLY 127 Ca 0.20 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.40 3inn h GLY 127 CO -0.04 0.09 0.00 -2.08 0.00 0.00 0.00 176.54 174.51 3inn h VAL 128 N 0.37 1.08 -0.75 4.60 2.07 -1.78 -1.17 116.25 120.67 3inn h VAL 128 Ca 0.16 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 3inn h VAL 128 Cb 0.08 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 3inn h VAL 128 CO -0.12 0.06 0.23 0.00 0.02 0.00 0.00 177.57 177.76 3inn h ALA 129 N 0.90 0.98 -0.00 1.67 0.00 -0.82 -0.96 119.26 121.03 3inn h ALA 129 Ca 0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 3inn h ALA 129 Cb 0.10 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3inn h ALA 129 CO -0.00 0.67 0.00 1.15 0.00 0.00 0.00 179.25 181.07 3inn h THR 130 N 1.12 1.21 -0.13 0.00 2.02 -0.65 -1.20 112.91 115.28 3inn h THR 130 Ca 0.24 -0.62 -0.15 0.00 0.77 0.00 0.00 66.41 66.65 3inn h THR 130 Cb 0.31 1.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 3inn h THR 130 CO -0.01 0.16 -0.56 1.62 0.37 0.00 0.00 175.52 177.10 3inn h VAL 131 N -0.26 1.35 -0.37 3.16 3.04 -0.98 -1.09 116.25 121.10 3inn h VAL 131 Ca 0.00 -1.86 -0.12 0.00 -1.01 0.00 0.00 66.70 63.72 3inn h VAL 131 Cb 0.26 1.86 -0.01 0.00 -2.01 0.00 0.00 31.29 31.40 3inn h VAL 131 CO 0.00 0.56 -0.22 0.58 -1.01 0.00 0.00 177.57 177.48 3inn h VAL 132 N 0.31 1.28 -0.93 1.51 2.07 -1.22 -0.18 116.25 119.08 3inn h VAL 132 Ca 0.00 -1.36 0.04 0.00 0.82 0.00 0.00 66.70 66.20 3inn h VAL 132 Cb 1.08 1.37 -0.06 0.00 -1.52 0.00 0.00 31.29 32.16 3inn h VAL 132 CO 0.10 0.45 0.60 0.28 0.02 0.00 0.00 177.57 179.02 3inn h SER 133 N 0.59 1.00 -0.30 0.57 0.02 -0.97 -1.76 113.55 112.69 3inn h SER 133 Ca 0.08 -0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.96 3inn h SER 133 Cb 0.78 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 3inn h SER 133 CO 0.06 0.67 -0.05 0.50 -1.14 0.00 0.00 176.83 176.87 3inn h LYS 134 N 1.15 0.57 -0.85 3.45 3.64 -0.99 -2.31 116.57 121.23 3inn h LYS 134 Ca 0.38 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 3inn h LYS 134 Cb 0.04 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.79 3inn h LYS 134 CO -0.13 0.75 0.47 -0.07 -2.27 0.00 0.00 179.45 178.20 3inn h LEU 135 N 0.35 1.07 -1.01 5.20 3.38 -0.80 -0.62 115.31 122.89 3inn h LEU 135 Ca 0.08 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3inn h LEU 135 Cb 0.53 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 3inn h LEU 135 CO 0.03 0.86 0.62 -0.26 0.09 0.00 0.00 178.44 179.78 3inn h PHE 136 N 1.19 1.24 -0.43 1.13 0.04 -1.31 0.12 116.94 118.93 3inn h PHE 136 Ca 0.30 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 61.00 3inn h PHE 136 Cb 0.03 -0.42 -0.02 0.00 2.20 0.00 0.00 35.95 37.75 3inn h PHE 136 CO 0.01 0.80 -0.08 -0.91 -0.60 0.00 0.00 178.31 177.53 3inn h ASN 137 N 1.33 0.73 -0.06 2.17 2.35 -0.64 -0.14 115.58 121.32 3inn h ASN 137 Ca 0.35 -0.20 -0.05 0.00 -0.55 0.00 0.00 56.30 55.85 3inn h ASN 137 Cb -0.12 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.06 3inn h ASN 137 CO -0.07 0.85 -0.14 0.40 -1.65 0.00 0.00 177.43 176.82 3inn h ILE 138 N 0.69 1.42 0.02 2.81 2.04 -0.71 -3.35 117.51 120.43 3inn h ILE 138 Ca 0.12 -1.47 -0.23 0.00 1.00 0.00 0.00 64.86 64.28 3inn h ILE 138 Cb 0.54 2.24 -0.03 0.00 -0.74 0.00 0.00 36.82 38.83 3inn h ILE 138 CO 0.03 0.41 -1.13 0.58 0.00 0.00 0.00 178.15 178.04 3inn h VAL 139 N -0.29 1.57 -6.37 1.67 2.07 -0.79 -3.43 116.25 110.68 3inn h VAL 139 Ca 0.00 -3.28 -0.47 0.00 0.82 0.00 0.00 66.70 63.76 3inn h VAL 139 Cb 0.74 2.80 -0.02 0.00 -1.52 0.00 0.00 31.29 33.29 3inn h VAL 139 CO 0.03 0.90 -0.87 0.61 0.02 0.00 0.00 177.57 178.27 3inn n GLY 140 N 1.40 -0.24 3.83 2.17 0.00 -0.07 -4.95 105.19 107.33 3inn n GLY 140 Ca -0.03 0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 3inn n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3inn s PRO 141 N -6.37 2.60 0.02 1.61 0.04 -1.26 -4.92 135.00 126.71 3inn s PRO 141 Ca 0.01 0.69 -0.04 0.00 0.04 0.00 0.00 61.00 61.70 3inn s PRO 141 Cb -0.00 -1.97 -0.28 0.00 0.04 0.00 0.00 34.50 32.28 3inn s PRO 141 CO 0.86 -1.27 0.91 -0.44 0.04 0.00 0.00 177.00 177.10 3inn h ASP 142 N -0.83 0.42 -4.60 6.66 3.32 -0.96 -3.43 116.42 116.98 3inn h ASP 142 Ca -0.45 -0.54 -0.16 0.00 0.02 0.00 0.00 57.03 55.89 3inn h ASP 142 Cb 1.24 -0.14 -0.23 0.00 0.22 0.00 0.00 39.33 40.43 3inn h ASP 142 CO 0.60 1.45 -0.55 0.00 -1.72 0.00 0.00 179.24 179.02 3inn s ALA 143 N -2.62 -0.26 0.00 3.45 0.00 -0.92 -1.67 121.76 119.75 3inn s ALA 143 Ca -0.08 -0.05 0.04 0.00 0.00 0.00 0.00 51.96 51.87 3inn s ALA 143 Cb 0.07 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.19 3inn s ALA 143 CO 0.86 -0.16 -0.13 0.00 0.00 0.00 0.00 175.76 176.34 3inn s ALA 144 N -0.94 1.07 -0.09 0.00 0.00 0.47 -0.90 121.76 121.37 3inn s ALA 144 Ca -0.10 -0.62 0.04 0.00 0.00 0.00 0.00 51.96 51.28 3inn s ALA 144 Cb -0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 3inn s ALA 144 CO 0.01 0.24 -0.23 0.71 0.00 0.00 0.00 175.76 176.49 3inn s TYR 145 N -0.45 2.55 0.04 0.00 1.51 -0.46 -0.39 117.35 120.15 3inn s TYR 145 Ca 0.04 -0.86 0.02 0.00 -1.01 0.00 0.00 57.07 55.26 3inn s TYR 145 Cb -0.06 -1.68 -0.02 0.00 -0.11 0.00 0.00 41.96 40.09 3inn s TYR 145 CO -0.00 -0.31 -0.08 -0.06 -1.11 0.00 0.00 175.55 174.00 3inn s PHE 146 N 0.13 0.67 0.21 2.71 0.08 -0.73 -4.34 117.98 116.71 3inn s PHE 146 Ca -0.12 -0.49 -0.30 0.00 0.12 0.00 0.00 56.93 56.14 3inn s PHE 146 Cb -0.16 -0.40 -0.08 0.00 -0.57 0.00 0.00 43.02 41.81 3inn s PHE 146 CO 0.07 -0.08 0.94 0.20 -0.10 0.00 0.00 175.22 176.24 3inn s GLY 147 N -1.54 3.09 0.16 4.36 0.00 -1.26 -0.22 107.32 111.91 3inn s GLY 147 Ca -0.10 0.61 0.17 0.00 0.00 0.00 0.00 44.72 45.40 3inn s GLY 147 CO 0.00 1.24 1.52 1.18 0.00 0.00 0.00 173.10 177.04 3inn n GLU 148 N 1.76 0.10 -0.27 2.90 1.02 0.45 -2.53 120.64 124.07 3inn n GLU 148 Ca -0.01 0.43 0.04 0.00 -0.02 0.00 0.00 57.16 57.60 3inn n GLU 148 Cb 0.47 -1.73 0.17 0.00 -0.02 0.00 0.00 31.44 30.34 3inn n GLU 148 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3inn h LYS 149 N 0.00 0.57 -3.36 3.49 1.63 -1.92 -3.07 116.57 113.91 3inn h LYS 149 Ca 0.00 -0.03 -0.80 0.00 -0.85 0.00 0.00 60.65 58.97 3inn h LYS 149 Cb 0.20 -0.13 -0.27 0.00 -0.60 0.00 0.00 32.23 31.43 3inn h LYS 149 CO 0.00 0.38 0.70 -0.25 -3.45 0.00 0.00 179.45 176.83 3inn n ASP 150 N -4.88 5.86 -0.16 4.20 8.00 -1.05 -4.78 116.55 123.74 3inn n ASP 150 Ca 0.14 -3.19 -0.08 0.00 0.71 0.00 0.00 54.79 52.36 3inn n ASP 150 Cb 0.35 -1.35 0.06 0.00 -0.02 0.00 0.00 41.12 40.15 3inn n ASP 150 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3inn h PHE 151 N 6.14 1.05 -0.14 1.24 3.57 -1.77 -2.22 116.94 124.81 3inn h PHE 151 Ca 0.20 -0.20 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 3inn h PHE 151 Cb 0.76 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.23 3inn h PHE 151 CO 0.90 0.98 -0.31 0.37 -2.23 0.00 0.00 178.31 178.02 3inn h GLN 152 N 0.85 0.45 -0.45 1.11 4.15 -1.90 -0.98 115.11 118.34 3inn h GLN 152 Ca 0.14 -0.30 0.09 0.00 0.77 0.00 0.00 58.65 59.35 3inn h GLN 152 Cb 0.63 0.04 -0.09 0.00 0.21 0.00 0.00 27.48 28.27 3inn h GLN 152 CO 0.04 0.91 -0.21 0.37 -1.93 0.00 0.00 178.83 178.02 3inn h GLN 153 N 0.06 -0.11 -0.16 1.69 4.15 -1.96 -0.93 115.11 117.85 3inn h GLN 153 Ca -0.00 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.43 3inn h GLN 153 Cb 0.92 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.62 3inn h GLN 153 CO 0.07 -0.07 0.09 1.25 -1.93 0.00 0.00 178.83 178.24 3inn h LEU 154 N -0.11 0.16 -1.11 -2.39 5.85 -1.12 0.66 115.31 117.24 3inn h LEU 154 Ca 0.21 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.96 3inn h LEU 154 Cb 0.45 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 3inn h LEU 154 CO -0.52 0.12 0.60 0.58 -0.34 0.00 0.00 178.44 178.88 3inn h VAL 155 N 0.20 1.18 -0.27 1.05 2.07 -0.92 -0.96 116.25 118.59 3inn h VAL 155 Ca 0.06 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 3inn h VAL 155 Cb -0.01 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.64 3inn h VAL 155 CO -0.02 0.22 0.03 0.40 0.02 0.00 0.00 177.57 178.21 3inn h ILE 156 N 1.18 1.24 -0.44 4.57 2.04 -0.79 -2.24 117.51 123.08 3inn h ILE 156 Ca 0.36 -0.83 -0.03 0.00 1.00 0.00 0.00 64.86 65.36 3inn h ILE 156 Cb -0.04 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 3inn h ILE 156 CO -0.10 0.27 0.16 0.40 0.00 0.00 0.00 178.15 178.88 3inn h ILE 157 N 0.26 1.21 -0.71 -0.67 2.04 -0.52 -0.26 117.51 118.86 3inn h ILE 157 Ca 0.08 -0.66 0.10 0.00 1.00 0.00 0.00 64.86 65.38 3inn h ILE 157 Cb 0.36 0.82 -0.08 0.00 -0.74 0.00 0.00 36.82 37.18 3inn h ILE 157 CO 0.01 0.24 0.33 0.03 0.00 0.00 0.00 178.15 178.76 3inn h ARG 158 N 0.57 0.53 -0.37 2.37 3.08 -1.12 0.19 114.38 119.62 3inn h ARG 158 Ca 0.15 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 60.06 3inn h ARG 158 Cb 0.22 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3inn h ARG 158 CO -0.01 0.35 -0.17 -0.09 -1.07 0.00 0.00 179.97 178.98 3inn h ARG 159 N 0.55 0.77 -0.52 0.04 9.65 -1.07 0.14 114.38 123.94 3inn h ARG 159 Ca 0.36 -0.33 -0.00 0.00 -1.10 0.00 0.00 59.98 58.90 3inn h ARG 159 Cb 0.43 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.96 3inn h ARG 159 CO -0.30 0.95 0.32 1.98 2.80 0.00 0.00 179.97 185.72 3inn h MET 160 N 0.57 0.71 -0.32 0.20 4.05 -0.65 0.10 114.93 119.59 3inn h MET 160 Ca 0.08 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.43 3inn h MET 160 Cb 0.72 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.35 3inn h MET 160 CO 0.05 0.51 0.15 0.28 0.23 0.00 0.00 176.91 178.13 3inn h VAL 161 N 0.70 1.16 0.17 -5.77 2.07 -0.38 -1.45 116.25 112.75 3inn h VAL 161 Ca 0.19 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 3inn h VAL 161 Cb -0.02 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3inn h VAL 161 CO -0.04 0.17 -0.08 -0.78 0.02 0.00 0.00 177.57 176.86 3inn h ASP 162 N 0.37 -0.19 -0.94 0.57 3.58 -0.79 -2.05 116.42 116.98 3inn h ASP 162 Ca 0.11 -0.12 0.08 0.00 0.42 0.00 0.00 57.03 57.52 3inn h ASP 162 Cb 0.13 0.05 -0.07 0.00 1.72 0.00 0.00 39.33 41.17 3inn h ASP 162 CO -0.01 0.00 0.61 0.44 -2.88 0.00 0.00 179.24 177.39 3inn h ASP 163 N -0.38 0.91 -0.22 2.28 3.32 -0.92 -2.82 116.42 118.60 3inn h ASP 163 Ca -0.02 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3inn h ASP 163 Cb 0.29 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3inn h ASP 163 CO 0.04 0.56 0.00 0.23 -1.72 0.00 0.00 179.24 178.35 3inn n MET 164 N -4.52 2.28 -3.89 3.56 2.81 -0.55 -4.95 117.12 111.85 3inn n MET 164 Ca 0.15 -1.90 -0.30 0.00 -1.81 0.00 0.00 57.70 53.84 3inn n MET 164 Cb 0.25 -1.48 0.02 0.00 -0.71 0.00 0.00 33.22 31.30 3inn n MET 164 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3inn n ALA 165 N 1.18 -1.25 -2.23 3.04 0.00 -0.95 -4.91 120.51 115.39 3inn n ALA 165 Ca 0.17 0.18 -0.42 0.00 0.00 0.00 0.00 53.44 53.37 3inn n ALA 165 Cb 0.55 -4.33 -0.03 0.00 0.00 0.00 0.00 19.45 15.64 3inn n ALA 165 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3inn s ILE 166 N -3.27 3.77 -1.51 0.00 1.01 -0.81 -4.88 121.20 115.51 3inn s ILE 166 Ca 0.66 1.11 -0.11 0.00 0.00 0.00 0.00 60.65 62.31 3inn s ILE 166 Cb -0.33 -3.72 -0.00 0.00 0.01 0.00 0.00 42.46 38.42 3inn s ILE 166 CO 0.81 -0.02 2.56 -0.81 0.00 0.00 0.00 174.94 177.47 3inn n PRO 167 N 5.68 3.50 -3.93 2.79 -0.04 -1.26 -4.80 135.00 136.94 3inn n PRO 167 Ca 0.14 -2.59 -0.16 0.00 -0.04 0.00 0.00 63.50 60.84 3inn n PRO 167 Cb 0.44 -2.96 -0.16 0.00 -0.04 0.00 0.00 33.50 30.78 3inn n PRO 167 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3inn s VAL 168 N 2.01 0.17 0.04 0.52 1.01 -1.26 -4.77 120.40 118.12 3inn s VAL 168 Ca 0.58 0.06 -0.30 0.00 0.00 0.00 0.00 61.98 62.32 3inn s VAL 168 Cb 0.16 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 36.25 3inn s VAL 168 CO -0.07 0.13 0.98 -0.60 0.00 0.00 0.00 175.10 175.54 3inn s ARG 169 N 0.85 4.61 -0.23 2.72 3.52 -0.67 -4.93 118.95 124.82 3inn s ARG 169 Ca -0.08 1.44 -0.08 0.00 -0.13 0.00 0.00 55.73 56.88 3inn s ARG 169 Cb -0.12 -3.43 -0.03 0.00 -1.56 0.00 0.00 34.95 29.81 3inn s ARG 169 CO -0.02 0.04 0.08 0.42 -0.81 0.00 0.00 175.30 175.01 3inn s ILE 170 N 0.64 4.54 -0.16 4.11 -1.09 -1.26 -0.40 121.20 127.58 3inn s ILE 170 Ca 0.50 -0.10 -0.01 0.00 -2.23 0.00 0.00 60.65 58.81 3inn s ILE 170 Cb -0.22 -3.10 -0.01 0.00 -1.58 0.00 0.00 42.46 37.55 3inn s ILE 170 CO 0.29 0.37 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.57 3inn s VAL 171 N 1.19 3.04 -0.23 2.92 1.01 0.48 -4.96 120.40 123.85 3inn s VAL 171 Ca 0.05 -0.64 -0.16 0.00 0.00 0.00 0.00 61.98 61.23 3inn s VAL 171 Cb -0.14 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 3inn s VAL 171 CO 0.04 0.50 0.41 -0.83 0.00 0.00 0.00 175.10 175.21 3inn s GLY 172 N 0.80 2.00 -0.17 4.51 0.00 -1.26 -1.77 107.32 111.43 3inn s GLY 172 Ca -0.04 -0.61 -0.07 0.00 0.00 0.00 0.00 44.72 44.00 3inn s GLY 172 CO 0.01 0.92 0.08 0.14 0.00 0.00 0.00 173.10 174.24 3inn s VAL 173 N 1.64 4.93 0.35 1.40 1.01 0.69 -4.85 120.40 125.57 3inn s VAL 173 Ca 0.18 0.01 -0.28 0.00 0.00 0.00 0.00 61.98 61.90 3inn s VAL 173 Cb -0.15 -3.21 -0.12 0.00 0.00 0.00 0.00 36.38 32.90 3inn s VAL 173 CO 0.09 0.49 1.27 1.21 0.00 0.00 0.00 175.10 178.16 3inn n GLU 174 N 3.21 2.06 -1.70 2.72 2.13 -1.26 -0.41 120.64 127.38 3inn n GLU 174 Ca -0.17 0.72 -0.43 0.00 0.66 0.00 0.00 57.16 57.94 3inn n GLU 174 Cb 0.53 -2.30 -0.03 0.00 0.27 0.00 0.00 31.44 29.90 3inn n GLU 174 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 3inn n THR 175 N 0.28 0.06 -3.40 6.31 -1.04 -1.26 -4.79 114.28 110.44 3inn n THR 175 Ca 0.05 -0.01 -0.38 0.00 -2.04 0.00 0.00 64.05 61.67 3inn n THR 175 Cb 0.36 -1.92 -0.06 0.00 -1.82 0.00 0.00 70.33 66.89 3inn n THR 175 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3inn s VAL 176 N 1.40 4.90 0.06 12.58 1.01 -1.26 -5.02 120.40 134.08 3inn s VAL 176 Ca 0.77 0.97 0.06 0.00 0.00 0.00 0.00 61.98 63.79 3inn s VAL 176 Cb -0.54 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 3inn s VAL 176 CO 0.34 0.54 -0.17 -0.13 0.00 0.00 0.00 175.10 175.68 3inn s ARG 177 N -1.18 1.07 1.24 2.72 0.52 -1.26 -1.59 118.95 120.46 3inn s ARG 177 Ca 0.27 -0.93 -0.18 0.00 -0.52 0.00 0.00 55.73 54.36 3inn s ARG 177 Cb -0.18 -1.16 0.30 0.00 0.52 0.00 0.00 34.95 34.43 3inn s ARG 177 CO 0.16 0.28 1.04 -1.21 0.02 0.00 0.00 175.30 175.59 3inn s GLU 178 N -1.44 -1.50 0.29 3.54 2.02 0.55 -4.83 118.70 117.34 3inn s GLU 178 Ca 0.03 0.19 0.26 0.00 0.02 0.00 0.00 54.97 55.47 3inn s GLU 178 Cb -0.09 -1.54 0.88 0.00 0.10 0.00 0.00 34.13 33.48 3inn s GLU 178 CO 0.02 -3.95 1.76 -0.44 0.02 0.00 0.00 175.26 172.67 3inn h ASP 179 N -2.76 0.00 -0.28 -0.19 3.32 -2.01 -1.08 116.42 113.42 3inn h ASP 179 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3inn h ASP 179 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 3inn h ASP 179 CO 0.38 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.00 3inn n ASP 180 N -2.44 2.35 0.00 6.45 5.75 -1.26 -4.95 116.55 122.45 3inn n ASP 180 Ca 0.04 -1.85 0.00 0.00 -0.01 0.00 0.00 54.79 52.97 3inn n ASP 180 Cb 0.36 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 3inn n ASP 180 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3inn n GLY 181 N 1.26 0.17 3.72 6.12 0.00 -0.41 -4.98 105.19 111.08 3inn n GLY 181 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3inn n GLY 181 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3inn s LEU 182 N 0.00 4.38 0.10 0.99 2.96 -1.26 -4.68 118.68 121.16 3inn s LEU 182 Ca 0.00 2.21 -0.34 0.00 -0.22 0.00 0.00 54.13 55.78 3inn s LEU 182 Cb 0.00 -3.59 -0.13 0.00 0.50 0.00 0.00 46.19 42.97 3inn s LEU 182 CO 0.00 -0.57 1.68 0.00 -1.32 0.00 0.00 176.35 176.14 3inn n ALA 183 N 3.82 1.33 -1.70 5.97 0.00 -1.26 -0.33 120.51 128.33 3inn n ALA 183 Ca 0.10 0.39 -0.44 0.00 0.00 0.00 0.00 53.44 53.50 3inn n ALA 183 Cb 0.44 -2.41 -0.02 0.00 0.00 0.00 0.00 19.45 17.46 3inn n ALA 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3inn s SER 185 N 0.49 -0.69 0.64 0.00 0.15 -1.26 -4.95 113.70 108.08 3inn s SER 185 Ca 0.68 1.20 0.40 0.00 0.70 0.00 0.00 55.95 58.93 3inn s SER 185 Cb -0.59 1.17 2.22 0.00 -1.71 0.00 0.00 66.02 67.11 3inn s SER 185 CO 0.47 -0.32 2.32 0.77 1.20 0.00 0.00 173.24 177.68 3inn h SER 186 N 4.40 0.00 0.90 5.45 4.64 -1.94 -2.00 113.55 125.00 3inn h SER 186 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3inn h SER 186 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3inn h SER 186 CO 0.14 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.64 3inn n ARG 187 N -3.28 0.17 0.22 4.77 3.00 -1.26 -3.53 116.66 116.75 3inn n ARG 187 Ca -0.03 0.31 0.05 0.00 -0.01 0.00 0.00 57.85 58.18 3inn n ARG 187 Cb 0.09 -1.77 0.50 0.00 0.00 0.00 0.00 32.46 31.28 3inn n ARG 187 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 3inn h ASN 188 N 0.00 0.00 -0.69 0.55 2.35 -1.73 -2.30 115.58 113.76 3inn h ASN 188 Ca 0.00 0.00 0.11 0.00 -0.55 0.00 0.00 56.30 55.86 3inn h ASN 188 Cb 0.45 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.77 3inn h ASN 188 CO 0.00 0.21 0.46 1.62 -1.65 0.00 0.00 177.43 178.07 3inn h VAL 189 N 0.00 0.90 0.00 2.81 3.04 -1.76 -2.62 116.25 118.62 3inn h VAL 189 Ca -0.00 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.51 3inn h VAL 189 Cb 0.38 0.33 0.00 0.00 -2.01 0.00 0.00 31.29 29.99 3inn h VAL 189 CO 0.03 0.10 0.00 1.88 -1.01 0.00 0.00 177.57 178.56 3inn h TYR 190 N 0.52 0.00 -3.07 3.17 0.05 -1.66 -3.44 116.97 112.53 3inn h TYR 190 Ca 0.32 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.58 3inn h TYR 190 Cb 0.56 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.33 3inn h TYR 190 CO -0.00 0.00 0.72 -0.51 -1.05 0.00 0.00 178.16 177.32 3inn s LEU 191 N -5.47 4.38 0.90 3.88 1.43 -0.99 -5.00 118.68 117.81 3inn s LEU 191 Ca 0.02 2.38 -0.11 0.00 -1.03 0.00 0.00 54.13 55.39 3inn s LEU 191 Cb 0.09 -3.59 0.13 0.00 0.03 0.00 0.00 46.19 42.85 3inn s LEU 191 CO 0.48 -0.65 1.11 0.42 0.23 0.00 0.00 176.35 177.94 3inn s THR 192 N 0.88 2.56 0.28 5.49 -4.23 -1.26 -4.67 115.64 114.69 3inn s THR 192 Ca 0.63 0.18 0.02 0.00 -1.18 0.00 0.00 61.69 61.35 3inn s THR 192 Cb -0.37 -2.44 0.27 0.00 1.34 0.00 0.00 72.50 71.30 3inn s THR 192 CO 0.32 -0.24 1.78 -0.65 -0.54 0.00 0.00 174.62 175.30 3inn h PRO 193 N -1.67 0.72 -0.39 3.99 0.11 -1.98 0.20 132.00 132.98 3inn h PRO 193 Ca -0.47 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.50 3inn h PRO 193 Cb 1.27 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3inn h PRO 193 CO 0.48 0.48 -0.15 1.49 -0.21 0.00 0.00 178.00 180.09 3inn h GLU 194 N 0.74 0.79 -0.53 1.05 4.81 -2.01 -2.73 114.58 116.71 3inn h GLU 194 Ca 0.52 -0.33 -0.07 0.00 -0.13 0.00 0.00 59.36 59.35 3inn h GLU 194 Cb 0.73 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.06 3inn h GLU 194 CO -0.36 0.95 0.03 1.96 -0.73 0.00 0.00 179.01 180.86 3inn h GLN 195 N 0.59 0.87 -0.86 1.92 4.20 -1.72 -2.22 115.11 117.89 3inn h GLN 195 Ca 0.09 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.56 3inn h GLN 195 Cb 0.69 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.33 3inn h GLN 195 CO 0.05 0.85 0.51 -0.09 -0.67 0.00 0.00 178.83 179.48 3inn h ARG 196 N 0.81 1.17 0.02 1.46 9.65 -0.39 -0.13 114.38 126.97 3inn h ARG 196 Ca 0.16 -0.11 -0.21 0.00 -1.10 0.00 0.00 59.98 58.72 3inn h ARG 196 Cb 0.44 -0.24 -0.02 0.00 -1.39 0.00 0.00 29.97 28.77 3inn h ARG 196 CO 0.02 0.82 -0.95 0.07 2.80 0.00 0.00 179.97 182.73 3inn h ARG 197 N 1.19 0.13 -0.21 0.20 0.11 -1.23 -2.83 114.38 111.73 3inn h ARG 197 Ca 0.31 -0.17 -0.03 0.00 0.10 0.00 0.00 59.98 60.19 3inn h ARG 197 Cb -0.04 0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.08 3inn h ARG 197 CO -0.06 0.98 0.01 0.00 0.10 0.00 0.00 179.97 181.01 3inn h ALA 198 N 0.95 1.63 0.00 0.08 0.00 -0.88 -3.15 119.26 117.88 3inn h ALA 198 Ca -0.04 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3inn h ALA 198 Cb 1.63 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 3inn h ALA 198 CO 0.14 0.28 -0.02 0.00 0.00 0.00 0.00 179.25 179.65 3inn h ALA 199 N 1.72 1.16 0.00 0.00 0.00 -0.77 -1.96 119.26 119.41 3inn h ALA 199 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3inn h ALA 199 Cb 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3inn h ALA 199 CO 0.00 0.02 0.15 0.97 0.00 0.00 0.00 179.25 180.40 3inn h ILE 200 N 0.00 0.00 0.00 0.00 2.10 -1.67 -0.78 117.51 117.17 3inn h ILE 200 Ca -0.00 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.91 3inn h ILE 200 Cb 0.11 0.63 -0.00 0.00 -1.09 0.00 0.00 36.82 36.47 3inn h ILE 200 CO 0.00 0.00 -0.12 -0.29 -1.08 0.00 0.00 178.15 176.66 3inn h ILE 201 N 0.00 0.78 0.42 2.19 6.09 -1.61 -2.70 117.51 122.68 3inn h ILE 201 Ca 0.00 -0.46 -0.02 0.00 -1.37 0.00 0.00 64.86 63.01 3inn h ILE 201 Cb 0.30 1.27 0.00 0.00 0.47 0.00 0.00 36.82 38.87 3inn h ILE 201 CO 0.00 0.12 -0.20 0.58 -3.07 0.00 0.00 178.15 175.58 3inn h VAL 202 N 0.00 0.49 -0.19 2.19 2.07 -1.39 -0.08 116.25 119.34 3inn h VAL 202 Ca -0.00 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 3inn h VAL 202 Cb 0.26 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 3inn h VAL 202 CO 0.02 0.08 -0.02 1.55 0.02 0.00 0.00 177.57 179.21 3inn h PRO 203 N -0.89 0.28 -0.07 1.57 0.13 -1.75 -2.30 132.00 128.97 3inn h PRO 203 Ca -0.06 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 64.96 3inn h PRO 203 Cb 0.56 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.63 3inn h PRO 203 CO 0.09 0.32 -0.25 1.96 -0.23 0.00 0.00 178.00 179.89 3inn h GLN 204 N 0.27 0.12 -0.36 0.86 4.20 -1.38 -2.07 115.11 116.75 3inn h GLN 204 Ca 0.06 -0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.62 3inn h GLN 204 Cb 0.22 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 3inn h GLN 204 CO 0.01 0.37 -0.27 0.00 -0.67 0.00 0.00 178.83 178.27 3inn h ALA 205 N 1.64 0.84 -0.67 3.87 0.00 -0.43 -0.89 119.26 123.62 3inn h ALA 205 Ca 0.02 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 3inn h ALA 205 Cb 0.51 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3inn h ALA 205 CO 0.04 0.64 0.13 -0.07 0.00 0.00 0.00 179.25 179.98 3inn h LEU 206 N 0.65 1.05 -0.84 0.00 3.38 -1.19 -0.44 115.31 117.91 3inn h LEU 206 Ca 0.08 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 3inn h LEU 206 Cb 0.78 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 3inn h LEU 206 CO 0.06 1.03 0.36 0.44 0.09 0.00 0.00 178.44 180.43 3inn h ASP 207 N 1.02 1.10 -0.34 -0.43 3.32 -1.12 -0.95 116.42 119.03 3inn h ASP 207 Ca 0.21 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 3inn h ASP 207 Cb 0.42 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3inn h ASP 207 CO 0.01 0.95 0.12 -0.08 -1.72 0.00 0.00 179.24 178.52 3inn h GLU 208 N 1.18 0.52 -0.80 3.56 4.57 -0.92 -0.26 114.58 122.43 3inn h GLU 208 Ca 0.28 -0.10 0.09 0.00 -1.18 0.00 0.00 59.36 58.44 3inn h GLU 208 Cb 0.17 -0.08 -0.07 0.00 -0.16 0.00 0.00 28.75 28.61 3inn h GLU 208 CO -0.03 0.54 0.45 0.00 -1.18 0.00 0.00 179.01 178.79 3inn h ALA 209 N 0.96 1.12 -0.22 2.92 0.00 -0.83 0.18 119.26 123.39 3inn h ALA 209 Ca 0.11 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3inn h ALA 209 Cb 0.22 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3inn h ALA 209 CO -0.01 0.09 0.12 0.22 0.00 0.00 0.00 179.25 179.67 3inn h ASP 210 N 0.77 0.27 -0.45 0.00 3.58 -0.65 -0.38 116.42 119.57 3inn h ASP 210 Ca 0.38 -0.09 0.08 0.00 0.42 0.00 0.00 57.03 57.81 3inn h ASP 210 Cb 0.33 -0.07 -0.07 0.00 1.72 0.00 0.00 39.33 41.24 3inn h ASP 210 CO -0.24 0.29 0.06 -0.09 -2.88 0.00 0.00 179.24 176.38 3inn h ARG 211 N 0.24 0.17 -0.26 0.28 2.43 -0.66 -0.21 114.38 116.38 3inn h ARG 211 Ca 0.08 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3inn h ARG 211 Cb 0.08 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 3inn h ARG 211 CO -0.01 0.12 0.07 -0.07 -1.51 0.00 0.00 179.97 178.56 3inn h LEU 212 N 0.18 0.38 -0.25 3.80 3.38 -0.74 -1.78 115.31 120.29 3inn h LEU 212 Ca 0.22 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3inn h LEU 212 Cb 0.30 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3inn h LEU 212 CO -0.32 0.50 0.08 0.22 0.09 0.00 0.00 178.44 179.01 3inn h TYR 213 N 0.24 0.14 -0.13 1.13 3.20 -0.87 -2.06 116.97 118.61 3inn h TYR 213 Ca 0.08 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.00 3inn h TYR 213 Cb 0.27 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 3inn h TYR 213 CO 0.01 0.06 0.10 0.00 -1.64 0.00 0.00 178.16 176.69 3inn h ARG 214 N 0.19 0.00 0.00 1.82 3.08 -0.79 -1.14 114.38 117.53 3inn h ARG 214 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3inn h ARG 214 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3inn h ARG 214 CO -0.12 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 177.65 3inn n SER 215 N -4.38 0.00 0.00 7.04 3.41 -0.69 -4.91 113.62 114.09 3inn n SER 215 Ca 0.00 -0.64 0.00 0.00 -0.26 0.00 0.00 58.87 57.97 3inn n SER 215 Cb 0.22 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 3inn n SER 215 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3inn n GLY 216 N 1.02 0.60 3.60 5.00 0.00 -0.43 -5.07 105.19 109.92 3inn n GLY 216 Ca 0.19 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.71 3inn n GLY 216 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3inn n MET 217 N -1.47 1.30 0.00 1.61 0.00 -1.08 -4.87 117.12 112.61 3inn n MET 217 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 57.70 58.17 3inn n MET 217 Cb 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 33.22 31.12 3inn n MET 217 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 3inn n ASP 218 N 2.54 1.92 -4.57 6.12 2.03 -1.26 -4.41 116.55 118.92 3inn n ASP 218 Ca 0.17 -0.22 -0.37 0.00 0.52 0.00 0.00 54.79 54.89 3inn n ASP 218 Cb 0.21 0.83 -0.11 0.00 -0.72 0.00 0.00 41.12 41.33 3inn n ASP 218 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3inn s ASP 219 N -1.21 5.84 0.35 1.67 2.15 -1.26 -1.56 116.67 122.65 3inn s ASP 219 Ca 0.00 -0.03 0.03 0.00 0.43 0.00 0.00 52.55 52.98 3inn s ASP 219 Cb 0.00 -2.07 0.63 0.00 -0.30 0.00 0.00 42.92 41.17 3inn s ASP 219 CO 0.00 -0.03 1.96 -0.65 -0.17 0.00 0.00 175.17 176.28 3inn h PRO 220 N 8.20 0.72 -0.75 4.34 0.11 -1.88 -2.10 132.00 140.64 3inn h PRO 220 Ca -0.36 -0.08 -0.04 0.00 0.11 0.00 0.00 66.00 65.63 3inn h PRO 220 Cb 1.18 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 3inn h PRO 220 CO 0.57 0.55 0.31 -0.44 -0.21 0.00 0.00 178.00 178.79 3inn h ASP 221 N 0.72 1.02 -0.32 -2.05 3.32 -1.94 -0.71 116.42 116.46 3inn h ASP 221 Ca 0.18 -0.14 -0.09 0.00 0.02 0.00 0.00 57.03 57.00 3inn h ASP 221 Cb 0.06 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 3inn h ASP 221 CO -0.03 0.89 -0.11 0.00 -1.72 0.00 0.00 179.24 178.28 3inn h ALA 222 N 1.25 1.03 -0.23 3.45 0.00 -1.86 -0.16 119.26 122.75 3inn h ALA 222 Ca 0.25 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3inn h ALA 222 Cb 0.19 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3inn h ALA 222 CO -0.02 0.59 -0.10 1.25 0.00 0.00 0.00 179.25 180.97 3inn h LEU 223 N 0.67 0.47 -0.54 0.00 5.85 -1.09 -0.38 115.31 120.30 3inn h LEU 223 Ca 0.12 -0.40 0.05 0.00 0.84 0.00 0.00 57.88 58.49 3inn h LEU 223 Cb 0.57 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.42 3inn h LEU 223 CO 0.04 0.77 0.27 -0.08 -0.34 0.00 0.00 178.44 179.09 3inn h GLU 224 N 0.18 0.50 -0.42 1.25 4.81 -1.00 -1.16 114.58 118.75 3inn h GLU 224 Ca 0.05 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 3inn h GLU 224 Cb 0.58 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 3inn h GLU 224 CO 0.03 0.33 0.13 0.00 -0.73 0.00 0.00 179.01 178.78 3inn h ALA 225 N 1.29 0.55 -0.34 2.92 0.00 -0.87 0.03 119.26 122.84 3inn h ALA 225 Ca 0.24 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3inn h ALA 225 Cb 0.16 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3inn h ALA 225 CO -0.17 0.19 0.08 0.00 0.00 0.00 0.00 179.25 179.35 3inn h ALA 226 N 0.98 0.37 -0.53 0.00 0.00 -0.78 -1.41 119.26 117.89 3inn h ALA 226 Ca 0.13 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 3inn h ALA 226 Cb 0.26 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3inn h ALA 226 CO -0.00 -0.32 0.06 0.82 0.00 0.00 0.00 179.25 179.80 3inn h ILE 227 N 0.20 1.26 -0.22 0.00 2.04 -1.02 0.13 117.51 119.90 3inn h ILE 227 Ca 0.16 -0.99 0.02 0.00 1.00 0.00 0.00 64.86 65.05 3inn h ILE 227 Cb 0.17 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 3inn h ILE 227 CO -0.20 0.36 0.08 -0.09 0.00 0.00 0.00 178.15 178.30 3inn h ARG 228 N 0.77 0.19 -0.40 2.37 2.43 -0.77 -0.02 114.38 118.94 3inn h ARG 228 Ca 0.16 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.17 3inn h ARG 228 Cb 0.44 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 3inn h ARG 228 CO 0.01 0.12 -0.31 1.15 -1.51 0.00 0.00 179.97 179.44 3inn h THR 229 N 0.19 1.27 -0.14 0.20 2.02 -1.10 0.29 112.91 115.64 3inn h THR 229 Ca 0.09 -1.47 0.04 0.00 0.77 0.00 0.00 66.41 65.85 3inn h THR 229 Cb 0.05 1.29 -0.05 0.00 -1.74 0.00 0.00 68.15 67.70 3inn h THR 229 CO -0.09 0.49 -0.15 0.15 0.37 0.00 0.00 175.52 176.29 3inn h PHE 230 N 0.75 -0.39 -0.55 3.16 3.57 -0.77 -2.66 116.94 120.06 3inn h PHE 230 Ca 0.08 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.51 3inn h PHE 230 Cb 0.88 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.79 3inn h PHE 230 CO 0.05 -0.22 -0.05 0.82 -2.23 0.00 0.00 178.31 176.68 3inn h ILE 231 N -0.18 1.26 -0.15 1.41 2.04 -0.74 -2.96 117.51 118.19 3inn h ILE 231 Ca 0.10 -1.18 0.04 0.00 1.00 0.00 0.00 64.86 64.83 3inn h ILE 231 Cb 0.33 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 3inn h ILE 231 CO -0.25 0.42 0.21 1.23 0.00 0.00 0.00 178.15 179.76 3inn h GLY 232 N 0.98 0.00 1.00 5.37 0.00 -0.69 -0.10 103.07 109.63 3inn h GLY 232 Ca 0.15 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.54 3inn h GLY 232 CO 0.04 0.00 0.45 3.21 0.00 0.00 0.00 176.54 180.23 3inn h ARG 233 N 0.00 0.00 -4.48 4.80 3.08 -1.30 -3.32 114.38 113.16 3inn h ARG 233 Ca 0.07 0.00 -0.70 0.00 0.07 0.00 0.00 59.98 59.43 3inn h ARG 233 Cb 0.49 0.00 -0.34 0.00 0.08 0.00 0.00 29.97 30.20 3inn h ARG 233 CO -0.00 0.00 -0.54 -1.14 -1.07 0.00 0.00 179.97 177.22 3inn s GLN 234 N -4.29 2.02 0.57 0.04 2.00 -0.05 -4.97 119.66 114.98 3inn s GLN 234 Ca -0.03 -1.82 0.35 0.00 -2.00 0.00 0.00 55.36 51.86 3inn s GLN 234 Cb 0.11 -3.60 1.51 0.00 0.80 0.00 0.00 33.01 31.83 3inn s GLN 234 CO 0.36 -1.08 2.04 -1.00 -0.50 0.00 0.00 175.29 175.11 3inn h PRO 235 N 8.06 0.00 0.00 1.67 0.13 -1.82 0.82 132.00 140.86 3inn h PRO 235 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 3inn h PRO 235 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 3inn h PRO 235 CO 0.70 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.76 3inn n LEU 236 N -3.09 0.16 -4.43 1.56 4.77 -1.26 -4.64 117.00 110.06 3inn n LEU 236 Ca 0.00 0.53 -0.37 0.00 -0.03 0.00 0.00 56.01 56.14 3inn n LEU 236 Cb 0.28 -0.49 -0.12 0.00 -2.33 0.00 0.00 43.42 40.75 3inn n LEU 236 CO 0.26 -0.20 -0.25 0.00 -1.33 0.00 0.00 177.39 175.86 3inn s ALA 237 N -3.05 3.19 -0.25 -1.18 0.00 0.28 -3.56 121.76 117.19 3inn s ALA 237 Ca 0.09 -1.26 -0.03 0.00 0.00 0.00 0.00 51.96 50.77 3inn s ALA 237 Cb 0.13 -2.19 0.02 0.00 0.00 0.00 0.00 23.12 21.08 3inn s ALA 237 CO 0.40 -0.68 -0.04 0.08 0.00 0.00 0.00 175.76 175.51 3inn s VAL 238 N 1.60 3.09 -0.33 0.00 1.01 -0.18 -4.60 120.40 120.99 3inn s VAL 238 Ca 0.05 -0.92 -0.29 0.00 0.00 0.00 0.00 61.98 60.83 3inn s VAL 238 Cb -0.16 -2.55 0.02 0.00 0.00 0.00 0.00 36.38 33.68 3inn s VAL 238 CO 0.04 0.21 1.09 -2.16 0.00 0.00 0.00 175.10 174.28 3inn s PRO 239 N 1.37 4.04 -0.09 2.72 0.04 -1.26 -0.29 135.00 141.53 3inn s PRO 239 Ca 0.01 1.06 -0.20 0.00 0.04 0.00 0.00 61.00 61.91 3inn s PRO 239 Cb -0.16 -3.75 -0.28 0.00 0.04 0.00 0.00 34.50 30.34 3inn s PRO 239 CO -0.03 -0.94 0.69 0.93 0.04 0.00 0.00 177.00 177.69 3inn h GLU 240 N 8.22 0.23 -3.93 4.56 5.08 -0.90 -3.46 114.58 124.37 3inn h GLU 240 Ca -0.21 -0.39 -0.37 0.00 -1.00 0.00 0.00 59.36 57.39 3inn h GLU 240 Cb 1.06 0.15 -0.33 0.00 0.50 0.00 0.00 28.75 30.13 3inn h GLU 240 CO 1.04 1.19 -0.76 0.08 -1.00 0.00 0.00 179.01 179.56 3inn s VAL 241 N -2.43 0.37 -0.35 3.13 1.01 -0.67 -5.00 120.40 116.45 3inn s VAL 241 Ca -0.18 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 61.79 3inn s VAL 241 Cb 0.02 -0.41 0.10 0.00 0.00 0.00 0.00 36.38 36.10 3inn s VAL 241 CO 0.78 0.18 0.08 -0.63 0.00 0.00 0.00 175.10 175.50 3inn s ILE 242 N 0.81 2.08 -0.25 2.22 1.01 -1.26 -0.37 121.20 125.45 3inn s ILE 242 Ca -0.10 -2.31 -0.09 0.00 0.00 0.00 0.00 60.65 58.16 3inn s ILE 242 Cb -0.13 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 3inn s ILE 242 CO -0.01 -0.64 0.11 0.00 0.00 0.00 0.00 174.94 174.41 3inn s ALA 243 N 0.88 3.35 -0.27 9.38 0.00 -0.13 -4.97 121.76 130.01 3inn s ALA 243 Ca 0.12 -1.03 -0.00 0.00 0.00 0.00 0.00 51.96 51.04 3inn s ALA 243 Cb -0.20 -2.20 0.04 0.00 0.00 0.00 0.00 23.12 20.77 3inn s ALA 243 CO -0.10 -0.37 -0.06 0.42 0.00 0.00 0.00 175.76 175.66 3inn s ILE 244 N 1.40 2.69 0.14 0.00 -1.09 -1.26 -0.30 121.20 122.78 3inn s ILE 244 Ca 0.06 -1.34 -0.06 0.00 -2.23 0.00 0.00 60.65 57.08 3inn s ILE 244 Cb -0.15 -2.49 -0.02 0.00 -1.58 0.00 0.00 42.46 38.22 3inn s ILE 244 CO 0.05 0.03 0.19 -0.13 -1.23 0.00 0.00 174.94 173.85 3inn s ARG 245 N 1.23 1.03 0.07 2.79 1.81 0.03 -4.35 118.95 121.56 3inn s ARG 245 Ca -0.04 -1.24 -0.31 0.00 -1.72 0.00 0.00 55.73 52.42 3inn s ARG 245 Cb -0.19 0.32 -0.07 0.00 -0.45 0.00 0.00 34.95 34.57 3inn s ARG 245 CO -0.04 -0.34 1.33 0.34 -0.68 0.00 0.00 175.30 175.91 3inn s ASP 246 N -2.98 6.91 0.48 0.23 -1.08 -0.07 -0.67 116.67 119.48 3inn s ASP 246 Ca 0.18 2.17 0.32 0.00 -0.52 0.00 0.00 52.55 54.70 3inn s ASP 246 Cb 0.05 -2.58 1.53 0.00 -1.46 0.00 0.00 42.92 40.46 3inn s ASP 246 CO -0.01 -0.62 1.97 -0.65 0.52 0.00 0.00 175.17 176.39 3inn h PRO 247 N 7.09 0.00 0.01 4.34 0.11 -1.90 0.36 132.00 142.00 3inn h PRO 247 Ca -0.41 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.39 3inn h PRO 247 Cb 1.20 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 3inn h PRO 247 CO 0.86 0.00 -1.71 -1.91 -0.21 0.00 0.00 178.00 175.03 3inn n GLU 248 N -2.76 0.59 0.04 1.05 4.07 -1.26 -4.48 120.64 117.89 3inn n GLU 248 Ca -0.00 0.46 0.11 0.00 -0.06 0.00 0.00 57.16 57.67 3inn n GLU 248 Cb 0.18 -1.67 -0.00 0.00 -0.06 0.00 0.00 31.44 29.89 3inn n GLU 248 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 3inn n THR 249 N -4.29 0.25 -1.34 6.31 -2.24 -1.24 -4.98 114.28 106.75 3inn n THR 249 Ca -0.39 -0.34 -0.12 0.00 -2.27 0.00 0.00 64.05 60.93 3inn n THR 249 Cb 0.77 0.05 -0.05 0.00 -2.10 0.00 0.00 70.33 69.00 3inn n THR 249 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3inn n LEU 250 N -2.16 -0.57 -4.95 3.22 4.77 0.13 -4.85 117.00 112.59 3inn n LEU 250 Ca 0.01 0.29 -0.23 0.00 -0.03 0.00 0.00 56.01 56.05 3inn n LEU 250 Cb 0.48 -2.41 0.04 0.00 -2.33 0.00 0.00 43.42 39.20 3inn n LEU 250 CO 0.41 -0.90 0.43 -1.61 -1.33 0.00 0.00 177.39 174.38 3inn s GLU 251 N -2.90 2.65 0.68 3.23 2.02 -1.26 -4.62 118.70 118.50 3inn s GLU 251 Ca 0.00 -0.48 -0.15 0.00 0.02 0.00 0.00 54.97 54.37 3inn s GLU 251 Cb 0.00 -2.40 0.01 0.00 0.10 0.00 0.00 34.13 31.84 3inn s GLU 251 CO 0.00 -0.73 1.12 1.03 0.02 0.00 0.00 175.26 176.70 3inn s ARG 252 N -4.86 2.68 0.06 1.61 0.52 -1.26 -0.89 118.95 116.80 3inn s ARG 252 Ca 0.55 1.40 0.06 0.00 -0.52 0.00 0.00 55.73 57.22 3inn s ARG 252 Cb -0.10 -1.93 -0.04 0.00 0.52 0.00 0.00 34.95 33.40 3inn s ARG 252 CO 0.41 -1.35 -0.11 -0.51 0.02 0.00 0.00 175.30 173.76 3inn s LEU 253 N -5.00 2.95 0.10 2.53 1.43 -1.26 -4.74 118.68 114.69 3inn s LEU 253 Ca 0.67 -0.32 0.26 0.00 -1.03 0.00 0.00 54.13 53.70 3inn s LEU 253 Cb -0.21 -1.74 0.67 0.00 0.03 0.00 0.00 46.19 44.94 3inn s LEU 253 CO 0.43 0.23 1.57 -0.81 0.23 0.00 0.00 176.35 178.01 3inn n PRO 254 N 1.21 0.18 -3.67 1.29 -0.04 -1.26 -4.80 135.00 127.91 3inn n PRO 254 Ca -0.15 0.09 -0.02 0.00 -0.04 0.00 0.00 63.50 63.38 3inn n PRO 254 Cb 0.52 -1.65 -0.01 0.00 -0.04 0.00 0.00 33.50 32.32 3inn n PRO 254 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3inn s ALA 255 N -3.09 -1.91 -0.13 0.55 0.00 -1.26 -4.83 121.76 111.09 3inn s ALA 255 Ca 0.10 0.55 0.01 0.00 0.00 0.00 0.00 51.96 52.61 3inn s ALA 255 Cb 0.15 0.46 -0.09 0.00 0.00 0.00 0.00 23.12 23.64 3inn s ALA 255 CO 0.65 -0.97 -0.12 1.28 0.00 0.00 0.00 175.76 176.61 3inn n LEU 256 N -0.42 2.92 -4.80 0.00 4.77 -0.60 -4.94 117.00 113.93 3inn n LEU 256 Ca -0.07 -0.07 -0.34 0.00 -0.03 0.00 0.00 56.01 55.50 3inn n LEU 256 Cb 0.61 -0.46 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 3inn n LEU 256 CO 0.12 0.72 0.71 -1.10 -1.33 0.00 0.00 177.39 176.51 3inn s GLN 257 N -2.27 3.91 0.00 3.23 -1.52 -1.26 -3.44 119.66 118.31 3inn s GLN 257 Ca -0.18 1.35 0.00 0.00 -1.95 0.00 0.00 55.36 54.58 3inn s GLN 257 Cb 0.05 -2.17 0.00 0.00 -0.22 0.00 0.00 33.01 30.67 3inn s GLN 257 CO 0.31 -0.33 0.00 0.41 -0.25 0.00 0.00 175.29 175.43 3inn n GLY 258 N -0.22 1.11 3.13 3.09 0.00 -1.26 -5.01 105.19 106.03 3inn n GLY 258 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 3inn n GLY 258 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3inn s ARG 259 N -0.18 0.60 0.44 1.61 1.70 -1.22 -4.35 118.95 117.55 3inn s ARG 259 Ca 0.00 -0.69 -0.22 0.00 -0.47 0.00 0.00 55.73 54.35 3inn s ARG 259 Cb 0.00 0.24 -0.09 0.00 -0.57 0.00 0.00 34.95 34.53 3inn s ARG 259 CO 0.00 -0.15 1.03 -1.25 -1.08 0.00 0.00 175.30 173.85 3inn s PRO 260 N -2.47 4.02 0.05 3.89 0.04 -1.26 -4.43 135.00 134.84 3inn s PRO 260 Ca -0.06 1.40 0.05 0.00 0.04 0.00 0.00 61.00 62.43 3inn s PRO 260 Cb -0.02 -2.31 -0.02 0.00 0.04 0.00 0.00 34.50 32.19 3inn s PRO 260 CO -0.04 -0.25 -0.14 0.96 0.04 0.00 0.00 177.00 177.57 3inn s ILE 261 N -1.85 1.11 -0.18 0.56 -4.36 0.55 -4.49 121.20 112.54 3inn s ILE 261 Ca 0.62 -1.08 -0.11 0.00 -0.26 0.00 0.00 60.65 59.82 3inn s ILE 261 Cb -0.18 -1.02 -0.05 0.00 1.25 0.00 0.00 42.46 42.46 3inn s ILE 261 CO 0.23 -0.06 0.18 -0.22 0.24 0.00 0.00 174.94 175.31 3inn s LEU 262 N -1.30 4.23 -0.32 0.37 2.96 0.16 -0.16 118.68 124.61 3inn s LEU 262 Ca 0.01 0.33 -0.01 0.00 -0.22 0.00 0.00 54.13 54.24 3inn s LEU 262 Cb -0.08 -2.18 0.07 0.00 0.50 0.00 0.00 46.19 44.49 3inn s LEU 262 CO 0.02 0.17 0.03 -0.69 -1.32 0.00 0.00 176.35 174.56 3inn s VAL 263 N 0.32 2.90 -0.19 1.68 1.01 -0.61 -0.79 120.40 124.73 3inn s VAL 263 Ca 0.11 -1.64 -0.05 0.00 0.00 0.00 0.00 61.98 60.41 3inn s VAL 263 Cb -0.12 -2.78 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 3inn s VAL 263 CO 0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 175.10 174.84 3inn s ALA 264 N 1.18 3.06 -0.11 5.51 0.00 0.58 -1.60 121.76 130.39 3inn s ALA 264 Ca -0.01 -0.92 -0.01 0.00 0.00 0.00 0.00 51.96 51.01 3inn s ALA 264 Cb -0.20 -1.73 -0.03 0.00 0.00 0.00 0.00 23.12 21.15 3inn s ALA 264 CO -0.03 -0.03 -0.05 -0.51 0.00 0.00 0.00 175.76 175.15 3inn s LEU 265 N 0.78 3.24 -0.25 0.00 1.43 0.12 -0.95 118.68 123.04 3inn s LEU 265 Ca 0.00 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 3inn s LEU 265 Cb -0.14 -1.74 0.07 0.00 0.03 0.00 0.00 46.19 44.41 3inn s LEU 265 CO 0.02 0.28 -0.01 -0.36 0.23 0.00 0.00 176.35 176.51 3inn s PHE 266 N -0.28 2.31 -0.04 0.29 0.08 0.51 -2.35 117.98 118.49 3inn s PHE 266 Ca 0.05 -1.81 0.03 0.00 0.12 0.00 0.00 56.93 55.31 3inn s PHE 266 Cb -0.13 -1.70 0.01 0.00 -0.57 0.00 0.00 43.02 40.63 3inn s PHE 266 CO 0.02 -0.80 -0.12 0.08 -0.10 0.00 0.00 175.22 174.31 3inn s VAL 267 N 1.42 1.06 -0.25 -0.44 1.01 0.69 -0.14 120.40 123.75 3inn s VAL 267 Ca -0.01 -0.49 -0.09 0.00 0.00 0.00 0.00 61.98 61.39 3inn s VAL 267 Cb -0.18 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 3inn s VAL 267 CO -0.10 0.33 0.13 -0.60 0.00 0.00 0.00 175.10 174.86 3inn s ARG 268 N 0.34 3.91 -0.20 2.72 6.06 0.61 0.81 118.95 133.20 3inn s ARG 268 Ca -0.08 -0.35 0.01 0.00 -2.50 0.00 0.00 55.73 52.82 3inn s ARG 268 Cb -0.12 -3.47 0.03 0.00 0.06 0.00 0.00 34.95 31.45 3inn s ARG 268 CO 0.02 -0.05 -0.15 0.08 -2.50 0.00 0.00 175.30 172.69 3inn s VAL 269 N 1.33 1.93 0.00 7.11 1.01 -0.15 -1.01 120.40 130.62 3inn s VAL 269 Ca 0.06 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 60.99 3inn s VAL 269 Cb -0.15 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.37 3inn s VAL 269 CO 0.06 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.10 3inn n GLY 270 N 4.62 3.83 0.59 4.51 0.00 -1.23 -1.30 105.19 116.20 3inn n GLY 270 Ca -0.18 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.05 3inn n GLY 270 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3inn n ALA 271 N 12.03 2.99 -2.70 4.61 0.00 -1.26 -4.96 120.51 131.23 3inn n ALA 271 Ca 0.00 -0.58 -0.36 0.00 0.00 0.00 0.00 53.44 52.49 3inn n ALA 271 Cb 0.00 -0.92 -0.08 0.00 0.00 0.00 0.00 19.45 18.45 3inn n ALA 271 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3inn s THR 272 N -2.27 5.35 -0.21 0.00 2.01 -0.42 -5.06 115.64 115.04 3inn s THR 272 Ca 0.25 0.32 -0.24 0.00 0.31 0.00 0.00 61.69 62.34 3inn s THR 272 Cb 0.19 -3.55 -0.01 0.00 0.01 0.00 0.00 72.50 69.15 3inn s THR 272 CO 0.45 0.37 0.80 -0.60 -0.69 0.00 0.00 174.62 174.95 3inn s ARG 273 N 0.74 4.23 -0.11 4.92 3.52 -1.26 -0.98 118.95 130.02 3inn s ARG 273 Ca 0.11 0.92 -0.00 0.00 -0.13 0.00 0.00 55.73 56.62 3inn s ARG 273 Cb -0.13 -3.61 -0.02 0.00 -1.56 0.00 0.00 34.95 29.63 3inn s ARG 273 CO 0.03 -0.40 -0.09 -0.51 -0.81 0.00 0.00 175.30 173.52 3inn s LEU 274 N 2.43 2.99 0.03 -0.88 1.43 0.24 -4.95 118.68 119.96 3inn s LEU 274 Ca 0.35 -0.17 0.09 0.00 -1.03 0.00 0.00 54.13 53.37 3inn s LEU 274 Cb -0.16 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 3inn s LEU 274 CO 0.10 0.25 -0.26 -0.76 0.23 0.00 0.00 176.35 175.91 3inn s LEU 275 N -0.15 2.16 0.09 1.79 1.43 -1.26 -0.23 118.68 122.51 3inn s LEU 275 Ca 0.01 -0.56 -0.25 0.00 -1.03 0.00 0.00 54.13 52.30 3inn s LEU 275 Cb -0.13 -1.31 0.08 0.00 0.03 0.00 0.00 46.19 44.86 3inn s LEU 275 CO 0.03 0.27 0.72 -0.62 0.23 0.00 0.00 176.35 176.98 3inn s ASP 276 N -1.10 -0.49 0.11 2.29 -1.08 -0.99 -4.86 116.67 110.55 3inn s ASP 276 Ca 0.11 0.01 -0.21 0.00 -0.52 0.00 0.00 52.55 51.95 3inn s ASP 276 Cb -0.10 0.51 0.05 0.00 -1.46 0.00 0.00 42.92 41.93 3inn s ASP 276 CO 0.01 -0.82 0.52 0.54 0.52 0.00 0.00 175.17 175.94 3inn s ASN 277 N -2.61 -0.43 -0.10 -0.34 2.20 -1.26 0.11 114.94 112.51 3inn s ASN 277 Ca 0.02 -0.02 -0.12 0.00 -0.94 0.00 0.00 52.86 51.80 3inn s ASN 277 Cb -0.01 0.52 0.03 0.00 -2.00 0.00 0.00 41.25 39.80 3inn s ASN 277 CO -0.11 -0.84 0.33 -0.60 -2.94 0.00 0.00 177.10 172.93 3inn s ARG 278 N -3.27 0.45 -0.15 3.55 3.52 -0.63 -5.01 118.95 117.42 3inn s ARG 278 Ca -0.01 0.31 -0.21 0.00 -0.13 0.00 0.00 55.73 55.69 3inn s ARG 278 Cb 0.00 0.21 -0.03 0.00 -1.56 0.00 0.00 34.95 33.57 3inn s ARG 278 CO -0.08 -0.08 0.60 0.08 -0.81 0.00 0.00 175.30 175.01 3inn s VAL 279 N -0.18 5.07 -0.04 7.11 1.01 -1.26 -1.58 120.40 130.54 3inn s VAL 279 Ca -0.03 1.17 0.07 0.00 0.00 0.00 0.00 61.98 63.18 3inn s VAL 279 Cb -0.03 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 3inn s VAL 279 CO 0.01 0.19 -0.25 -0.63 0.00 0.00 0.00 175.10 174.43 3inn s ILE 280 N 1.38 1.98 0.03 2.22 1.01 0.77 -4.91 121.20 123.68 3inn s ILE 280 Ca 0.29 -1.05 0.00 0.00 0.00 0.00 0.00 60.65 59.89 3inn s ILE 280 Cb -0.16 -1.66 0.00 0.00 0.01 0.00 0.00 42.46 40.65 3inn s ILE 280 CO 0.12 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.23 3inn n GLY 281 N 2.69 -2.24 3.75 6.18 0.00 -1.26 -0.33 105.19 113.99 3inn n GLY 281 Ca -0.17 -1.51 -0.08 0.00 0.00 0.00 0.00 46.02 44.27 3inn n GLY 281 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3inn s HIS 282 N -1.08 -0.14 0.03 1.61 -3.43 -1.26 -4.49 115.29 106.53 3inn s HIS 282 Ca 0.00 -0.28 -0.21 0.00 -0.80 0.00 0.00 55.06 53.77 3inn s HIS 282 Cb 0.00 0.59 -0.06 0.00 -1.43 0.00 0.00 32.58 31.69 3inn s HIS 282 CO 0.00 -1.14 0.63 0.00 -2.00 0.00 0.00 174.74 172.23 3inn s ALA 283 N -3.91 3.48 0.64 -1.38 0.00 -1.26 -4.22 121.76 115.10 3inn s ALA 283 Ca 0.12 0.09 -0.06 0.00 0.00 0.00 0.00 51.96 52.10 3inn s ALA 283 Cb -0.04 -2.78 0.03 0.00 0.00 0.00 0.00 23.12 20.33 3inn s ALA 283 CO 0.05 0.20 0.95 0.00 0.00 0.00 0.00 175.76 176.96 3inn s ALA 284 N -0.39 3.23 0.47 0.00 0.00 -1.26 -5.06 121.76 118.75 3inn s ALA 284 Ca 0.32 -0.75 -0.24 0.00 0.00 0.00 0.00 51.96 51.28 3inn s ALA 284 Cb -0.19 -2.63 -0.07 0.00 0.00 0.00 0.00 23.12 20.23 3inn s ALA 284 CO 0.19 -1.00 1.38 -2.14 0.00 0.00 0.00 175.76 174.20 3inn s PRO 285 N -5.10 3.57 0.00 0.00 0.02 -1.26 -5.15 135.00 127.08 3inn s PRO 285 Ca 0.56 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.90 3inn s PRO 285 Cb -0.11 -2.55 0.00 0.00 0.02 0.00 0.00 34.50 31.87 3inn s PRO 285 CO 0.45 -0.88 0.37 1.04 -0.33 0.00 0.00 177.00 177.66