#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1llb n PRO 5 N 0.00 0.89 -0.16 0.00 -0.02 -1.26 -4.70 135.00 129.75 1llb n PRO 5 Ca 0.00 0.34 0.06 0.00 -2.02 0.00 0.00 63.50 61.88 1llb n PRO 5 Cb 0.00 -1.99 0.36 0.00 -0.02 0.00 0.00 33.50 31.85 1llb n PRO 5 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1llb h GLN 6 N 0.68 0.72 -0.89 -0.52 -0.00 -2.05 -1.96 115.11 111.09 1llb h GLN 6 Ca -0.46 -0.04 0.01 0.00 -0.00 0.00 0.00 58.65 58.15 1llb h GLN 6 Cb 1.37 -0.16 -0.04 0.00 0.00 0.00 0.00 27.48 28.64 1llb h GLN 6 CO 0.51 0.48 0.59 0.37 0.00 0.00 0.00 178.83 180.77 1llb h GLN 7 N 0.74 1.16 0.14 1.69 4.15 -2.00 -0.53 115.11 120.46 1llb h GLN 7 Ca 0.29 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.64 1llb h GLN 7 Cb 0.21 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 27.64 1llb h GLN 7 CO -0.09 0.77 -0.07 0.82 -1.93 0.00 0.00 178.83 178.33 1llb h ILE 8 N 1.20 1.01 -0.89 2.39 2.04 -1.73 -2.70 117.51 118.83 1llb h ILE 8 Ca 0.33 -1.00 0.13 0.00 1.00 0.00 0.00 64.86 65.31 1llb h ILE 8 Cb -0.13 1.59 -0.09 0.00 -0.74 0.00 0.00 36.82 37.46 1llb h ILE 8 CO -0.07 0.22 0.51 0.78 0.00 0.00 0.00 178.15 179.59 1llb h ASN 9 N -0.70 0.69 0.15 1.72 2.35 -1.27 -1.49 115.58 117.03 1llb h ASN 9 Ca -0.02 0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1llb h ASN 9 Cb 0.51 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.82 1llb h ASN 9 CO 0.03 0.34 -0.07 -0.78 -1.65 0.00 0.00 177.43 175.31 1llb h ASP 10 N 0.78 -0.17 0.17 5.81 3.58 -1.10 -0.99 116.42 124.50 1llb h ASP 10 Ca 0.46 -0.15 -0.12 0.00 0.42 0.00 0.00 57.03 57.63 1llb h ASP 10 Cb 0.53 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 1llb h ASP 10 CO -0.30 0.05 -0.45 -0.29 -2.88 0.00 0.00 179.24 175.37 1llb h ILE 11 N -0.39 1.32 -0.25 2.25 6.09 -1.28 -1.57 117.51 123.67 1llb h ILE 11 Ca -0.02 -1.64 -0.07 0.00 -1.37 0.00 0.00 64.86 61.76 1llb h ILE 11 Cb 0.31 1.72 -0.01 0.00 0.47 0.00 0.00 36.82 39.31 1llb h ILE 11 CO 0.03 0.50 -0.10 0.58 -3.07 0.00 0.00 178.15 176.09 1llb h VAL 12 N 0.28 1.30 -0.46 2.19 2.07 -1.26 -1.52 116.25 118.85 1llb h VAL 12 Ca 0.02 -1.16 -0.09 0.00 0.82 0.00 0.00 66.70 66.29 1llb h VAL 12 Cb 0.91 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 1llb h VAL 12 CO 0.08 0.36 -0.07 -0.74 0.02 0.00 0.00 177.57 177.22 1llb h HIS 13 N 0.25 0.87 0.00 1.57 -0.00 -1.06 0.81 115.15 117.59 1llb h HIS 13 Ca 0.06 -0.15 0.00 0.00 -0.00 0.00 0.00 60.37 60.28 1llb h HIS 13 Cb 0.60 -0.23 0.00 0.00 -0.00 0.00 0.00 27.41 27.78 1llb h HIS 13 CO 0.06 0.84 0.00 0.00 -0.00 0.00 0.00 177.93 178.82 1llb h ARG 14 N 0.73 0.00 0.00 5.26 3.08 -1.26 -3.09 114.38 119.09 1llb h ARG 14 Ca 0.13 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.81 1llb h ARG 14 Cb 0.54 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.54 1llb h ARG 14 CO 0.03 0.00 -2.21 2.41 -1.07 0.00 0.00 179.97 179.13 1llb n THR 15 N -2.99 1.46 0.04 2.04 -1.04 -0.58 -4.52 114.28 108.69 1llb n THR 15 Ca 0.03 -0.28 -0.19 0.00 -2.04 0.00 0.00 64.05 61.57 1llb n THR 15 Cb 0.46 -1.94 -0.12 0.00 -1.82 0.00 0.00 70.33 66.90 1llb n THR 15 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1llb h ILE 16 N -0.95 1.41 -0.59 12.58 1.08 -1.03 -3.02 117.51 127.00 1llb h ILE 16 Ca -0.56 -2.29 0.06 0.00 -0.39 0.00 0.00 64.86 61.68 1llb h ILE 16 Cb 1.48 2.77 -0.05 0.00 -3.07 0.00 0.00 36.82 37.95 1llb h ILE 16 CO -0.34 0.67 0.30 0.74 -0.69 0.00 0.00 178.15 178.83 1llb h THR 17 N -0.08 0.93 -0.09 -0.27 2.02 -1.61 -0.54 112.91 113.27 1llb h THR 17 Ca -0.12 -0.19 -0.09 0.00 0.77 0.00 0.00 66.41 66.78 1llb h THR 17 Cb 1.54 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 1llb h THR 17 CO 0.16 0.10 -0.37 -0.65 0.37 0.00 0.00 175.52 175.13 1llb h PRO 18 N 0.56 0.17 -0.60 6.66 0.11 -1.74 -2.80 132.00 134.37 1llb h PRO 18 Ca 0.27 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.30 1llb h PRO 18 Cb 0.19 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.27 1llb h PRO 18 CO -0.19 0.53 0.37 1.25 -0.21 0.00 0.00 178.00 179.74 1llb h LEU 19 N 0.15 0.71 -0.73 2.35 5.85 -1.02 -0.01 115.31 122.61 1llb h LEU 19 Ca 0.02 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1llb h LEU 19 Cb 0.73 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1llb h LEU 19 CO 0.05 0.55 0.41 0.40 -0.34 0.00 0.00 178.44 179.52 1llb h ILE 20 N 0.81 1.22 -0.23 4.05 2.04 -0.99 0.76 117.51 125.16 1llb h ILE 20 Ca 0.21 -0.52 -0.04 0.00 1.00 0.00 0.00 64.86 65.51 1llb h ILE 20 Cb -0.04 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.28 1llb h ILE 20 CO -0.04 0.24 0.00 -0.33 0.00 0.00 0.00 178.15 178.02 1llb h GLU 21 N 1.00 0.40 -0.60 2.37 4.39 -1.20 -0.68 114.58 120.25 1llb h GLU 21 Ca 0.26 -0.13 -0.05 0.00 0.34 0.00 0.00 59.36 59.78 1llb h GLU 21 Cb 0.01 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 1llb h GLU 21 CO -0.04 0.58 0.16 1.96 -1.16 0.00 0.00 179.01 180.51 1llb h GLN 22 N 0.17 0.93 -0.11 2.33 4.20 -0.72 -2.96 115.11 118.95 1llb h GLN 22 Ca 0.06 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.58 1llb h GLN 22 Cb 0.40 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1llb h GLN 22 CO 0.01 0.82 0.00 1.04 -0.67 0.00 0.00 178.83 180.03 1llb n GLN 23 N -4.26 2.13 -3.76 1.46 1.13 0.23 -4.96 117.38 109.36 1llb n GLN 23 Ca 0.05 -1.67 -0.25 0.00 -1.94 0.00 0.00 57.00 53.19 1llb n GLN 23 Cb 0.23 -1.47 0.04 0.00 0.11 0.00 0.00 30.24 29.15 1llb n GLN 23 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1llb n LYS 24 N 0.97 -5.63 -2.59 -1.09 5.02 -0.34 -4.93 118.16 109.57 1llb n LYS 24 Ca 0.16 0.65 -0.43 0.00 -2.02 0.00 0.00 58.31 56.68 1llb n LYS 24 Cb 0.51 -5.43 -0.02 0.00 -0.02 0.00 0.00 35.03 30.07 1llb n LYS 24 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1llb s ILE 25 N -3.46 4.56 0.15 -0.18 1.01 -0.72 -4.95 121.20 117.60 1llb s ILE 25 Ca 0.33 1.86 -0.13 0.00 0.00 0.00 0.00 60.65 62.71 1llb s ILE 25 Cb -0.16 -4.20 0.04 0.00 0.01 0.00 0.00 42.46 38.15 1llb s ILE 25 CO 0.80 -0.07 1.68 -0.65 0.00 0.00 0.00 174.94 176.70 1llb h PRO 26 N 7.45 0.80 -3.00 2.79 0.11 -1.88 -3.46 132.00 134.81 1llb h PRO 26 Ca -0.28 -0.17 -0.12 0.00 0.11 0.00 0.00 66.00 65.54 1llb h PRO 26 Cb 1.12 -0.12 -0.21 0.00 0.11 0.00 0.00 31.00 31.91 1llb h PRO 26 CO 0.91 0.74 -0.27 0.20 -0.21 0.00 0.00 178.00 179.37 1llb s GLY 27 N -3.15 -0.17 -0.12 -0.55 0.00 -1.21 -1.28 107.32 100.83 1llb s GLY 27 Ca -0.13 0.42 -0.23 0.00 0.00 0.00 0.00 44.72 44.79 1llb s GLY 27 CO 0.79 0.22 0.57 -0.29 0.00 0.00 0.00 173.10 174.39 1llb s MET 28 N -1.14 0.81 0.01 2.90 1.75 -0.57 -2.20 119.30 120.85 1llb s MET 28 Ca -0.12 0.44 0.03 0.00 -1.25 0.00 0.00 55.69 54.79 1llb s MET 28 Cb -0.05 0.38 -0.01 0.00 2.84 0.00 0.00 34.83 37.99 1llb s MET 28 CO 0.04 -0.18 -0.11 0.00 -0.65 0.00 0.00 175.02 174.12 1llb s ALA 29 N -0.50 0.89 0.01 4.11 0.00 -0.18 -1.11 121.76 124.98 1llb s ALA 29 Ca -0.06 -0.54 0.01 0.00 0.00 0.00 0.00 51.96 51.37 1llb s ALA 29 Cb -0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 1llb s ALA 29 CO 0.05 0.19 -0.05 0.08 0.00 0.00 0.00 175.76 176.03 1llb s VAL 30 N -0.46 0.36 -0.04 0.00 1.01 -0.25 -1.20 120.40 119.82 1llb s VAL 30 Ca 0.02 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.61 1llb s VAL 30 Cb -0.05 -0.35 0.00 0.00 0.00 0.00 0.00 36.38 35.98 1llb s VAL 30 CO 0.00 -0.05 -0.13 0.00 0.00 0.00 0.00 175.10 174.91 1llb s ALA 31 N -0.47 1.25 -0.14 5.51 0.00 -0.52 -1.27 121.76 126.11 1llb s ALA 31 Ca -0.02 -0.52 0.01 0.00 0.00 0.00 0.00 51.96 51.44 1llb s ALA 31 Cb -0.04 -0.45 -0.00 0.00 0.00 0.00 0.00 23.12 22.63 1llb s ALA 31 CO -0.00 0.20 -0.18 0.08 0.00 0.00 0.00 175.76 175.86 1llb s VAL 32 N 0.20 2.49 -0.30 0.00 1.01 -0.10 -0.86 120.40 122.84 1llb s VAL 32 Ca -0.05 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 60.96 1llb s VAL 32 Cb -0.11 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 1llb s VAL 32 CO 0.02 0.53 0.23 -0.63 0.00 0.00 0.00 175.10 175.25 1llb s ILE 33 N 0.66 5.29 -0.08 2.22 1.09 0.65 -0.81 121.20 130.21 1llb s ILE 33 Ca -0.09 0.06 0.02 0.00 -1.10 0.00 0.00 60.65 59.54 1llb s ILE 33 Cb -0.16 -3.62 0.01 0.00 -1.06 0.00 0.00 42.46 37.64 1llb s ILE 33 CO 0.02 0.14 -0.14 -0.47 -0.10 0.00 0.00 174.94 174.39 1llb s TYR 34 N 1.78 1.70 -1.56 3.97 5.04 0.38 -1.02 117.35 127.64 1llb s TYR 34 Ca 0.07 -0.70 -0.15 0.00 -2.44 0.00 0.00 57.07 53.86 1llb s TYR 34 Cb -0.16 -1.23 0.11 0.00 0.35 0.00 0.00 41.96 41.03 1llb s TYR 34 CO 0.11 -0.35 0.81 1.04 -1.34 0.00 0.00 175.55 175.82 1llb n GLN 35 N 3.94 -4.17 -0.79 4.97 6.02 -0.99 -1.03 117.38 125.32 1llb n GLN 35 Ca -0.21 0.49 0.00 0.00 -0.01 0.00 0.00 57.00 57.27 1llb n GLN 35 Cb 0.52 -5.28 0.00 0.00 1.02 0.00 0.00 30.24 26.49 1llb n GLN 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1llb n GLY 36 N -1.47 1.31 3.54 1.08 0.00 -0.86 -5.03 105.19 103.77 1llb n GLY 36 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1llb n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1llb s LYS 37 N -0.04 2.43 0.21 1.61 -0.14 -0.20 -5.01 119.74 118.60 1llb s LYS 37 Ca 0.00 -0.78 -0.19 0.00 -1.36 0.00 0.00 55.97 53.64 1llb s LYS 37 Cb 0.00 -2.41 -0.08 0.00 -1.68 0.00 0.00 37.83 33.66 1llb s LYS 37 CO 0.00 0.59 0.70 -1.25 -0.76 0.00 0.00 175.35 174.63 1llb s PRO 38 N -1.30 4.23 -0.04 -1.68 0.04 -1.26 -0.47 135.00 134.51 1llb s PRO 38 Ca 0.15 0.83 0.02 0.00 0.04 0.00 0.00 61.00 62.05 1llb s PRO 38 Cb -0.11 -2.91 0.01 0.00 0.04 0.00 0.00 34.50 31.54 1llb s PRO 38 CO 0.06 0.42 -0.08 0.71 0.04 0.00 0.00 177.00 178.14 1llb s TYR 39 N -1.49 1.02 0.02 0.56 2.02 0.01 -4.96 117.35 114.53 1llb s TYR 39 Ca 0.42 -0.31 0.05 0.00 -0.37 0.00 0.00 57.07 56.86 1llb s TYR 39 Cb -0.17 -0.78 -0.03 0.00 -0.40 0.00 0.00 41.96 40.58 1llb s TYR 39 CO 0.21 -0.18 -0.11 0.71 -1.57 0.00 0.00 175.55 174.61 1llb s TYR 40 N 0.56 2.75 -0.01 2.71 1.51 -1.26 -0.92 117.35 122.68 1llb s TYR 40 Ca -0.09 -0.13 0.01 0.00 -1.01 0.00 0.00 57.07 55.84 1llb s TYR 40 Cb -0.13 -1.54 0.01 0.00 -0.11 0.00 0.00 41.96 40.19 1llb s TYR 40 CO 0.01 0.32 -0.01 -0.06 -1.11 0.00 0.00 175.55 174.71 1llb s PHE 41 N -0.97 0.20 0.07 2.71 0.08 -0.40 -5.01 117.98 114.66 1llb s PHE 41 Ca 0.16 -0.01 0.03 0.00 0.12 0.00 0.00 56.93 57.23 1llb s PHE 41 Cb -0.11 -0.20 -0.03 0.00 -0.57 0.00 0.00 43.02 42.11 1llb s PHE 41 CO 0.07 -0.04 -0.09 0.95 -0.10 0.00 0.00 175.22 176.01 1llb s THR 42 N 0.30 0.77 -0.02 0.64 -4.23 -1.26 -1.09 115.64 110.75 1llb s THR 42 Ca -0.03 -1.40 -0.11 0.00 -1.18 0.00 0.00 61.69 58.97 1llb s THR 42 Cb -0.05 -1.05 0.02 0.00 1.34 0.00 0.00 72.50 72.75 1llb s THR 42 CO -0.01 -0.48 0.24 0.26 -0.54 0.00 0.00 174.62 174.10 1llb s TRP 43 N -1.99 -0.12 0.00 3.99 0.51 -0.27 -5.00 118.94 116.06 1llb s TRP 43 Ca -0.01 0.19 0.00 0.00 -2.12 0.00 0.00 56.10 54.16 1llb s TRP 43 Cb -0.06 0.05 0.00 0.00 -0.81 0.00 0.00 33.47 32.65 1llb s TRP 43 CO -0.00 -0.31 0.00 0.41 -0.51 0.00 0.00 176.95 176.53 1llb n GLY 44 N 1.60 0.81 3.43 0.98 0.00 -1.26 -1.51 105.19 109.24 1llb n GLY 44 Ca -0.21 -0.72 -0.31 0.00 0.00 0.00 0.00 46.02 44.79 1llb n GLY 44 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1llb s TYR 45 N 0.00 2.53 0.05 1.61 1.51 -0.41 -1.68 117.35 120.96 1llb s TYR 45 Ca 0.00 -0.28 -0.03 0.00 -1.01 0.00 0.00 57.07 55.75 1llb s TYR 45 Cb 0.00 -1.49 -0.28 0.00 -0.11 0.00 0.00 41.96 40.08 1llb s TYR 45 CO 0.00 0.19 1.03 0.00 -1.11 0.00 0.00 175.55 175.66 1llb h ALA 46 N 4.83 0.19 -3.12 3.71 0.00 -0.96 -3.20 119.26 120.72 1llb h ALA 46 Ca -0.47 -0.98 -0.51 0.00 0.00 0.00 0.00 54.91 52.95 1llb h ALA 46 Cb 1.15 0.11 -0.40 0.00 0.00 0.00 0.00 17.79 18.65 1llb h ALA 46 CO 0.48 1.06 -0.76 0.34 0.00 0.00 0.00 179.25 180.37 1llb s ASP 47 N -7.04 2.94 0.06 0.00 -1.08 -1.14 -1.04 116.67 109.37 1llb s ASP 47 Ca -0.06 -0.91 -0.27 0.00 -0.52 0.00 0.00 52.55 50.79 1llb s ASP 47 Cb 0.07 -0.47 -0.17 0.00 -1.46 0.00 0.00 42.92 40.89 1llb s ASP 47 CO 0.87 -0.35 1.55 0.40 0.52 0.00 0.00 175.17 178.16 1llb h ILE 48 N 6.47 0.73 -0.72 4.11 2.04 -1.85 -0.36 117.51 127.92 1llb h ILE 48 Ca -0.16 -0.22 0.07 0.00 1.00 0.00 0.00 64.86 65.55 1llb h ILE 48 Cb 1.10 0.86 -0.06 0.00 -0.74 0.00 0.00 36.82 37.98 1llb h ILE 48 CO 0.35 0.05 0.40 0.00 0.00 0.00 0.00 178.15 178.95 1llb h ALA 49 N 0.15 0.98 -0.01 1.87 0.00 -1.98 -0.88 119.26 119.39 1llb h ALA 49 Ca -0.04 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1llb h ALA 49 Cb 0.38 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1llb h ALA 49 CO 0.07 0.07 -0.04 1.63 0.00 0.00 0.00 179.25 180.98 1llb n LYS 50 N -4.77 1.15 -4.08 0.00 5.02 -1.21 -4.92 118.16 109.35 1llb n LYS 50 Ca 0.10 -0.44 -0.33 0.00 -2.02 0.00 0.00 58.31 55.63 1llb n LYS 50 Cb 0.20 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.71 1llb n LYS 50 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1llb n LYS 51 N -0.54 -3.91 -3.03 1.97 5.02 -0.29 -4.92 118.16 112.47 1llb n LYS 51 Ca 0.19 0.45 -0.41 0.00 -2.02 0.00 0.00 58.31 56.52 1llb n LYS 51 Cb 0.25 -5.13 -0.05 0.00 -0.02 0.00 0.00 35.03 30.09 1llb n LYS 51 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1llb s GLN 52 N -6.76 4.24 0.65 1.97 -1.52 -0.39 -4.99 119.66 112.86 1llb s GLN 52 Ca 0.59 0.77 -0.14 0.00 -1.95 0.00 0.00 55.36 54.62 1llb s GLN 52 Cb -0.31 -3.58 -0.01 0.00 -0.22 0.00 0.00 33.01 28.89 1llb s GLN 52 CO 0.89 -0.28 1.09 -1.25 -0.25 0.00 0.00 175.29 175.48 1llb s PRO 53 N 2.04 2.94 0.24 2.91 0.04 -1.26 -0.47 135.00 141.43 1llb s PRO 53 Ca 0.32 1.27 -0.30 0.00 0.04 0.00 0.00 61.00 62.34 1llb s PRO 53 Cb -0.16 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 1llb s PRO 53 CO 0.11 -1.13 1.09 0.08 0.04 0.00 0.00 177.00 177.19 1llb s VAL 54 N -2.49 3.67 0.35 -0.36 1.01 -0.68 -4.28 120.40 117.62 1llb s VAL 54 Ca 0.65 1.57 0.06 0.00 0.00 0.00 0.00 61.98 64.26 1llb s VAL 54 Cb -0.18 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 1llb s VAL 54 CO 0.42 0.33 0.22 0.35 0.00 0.00 0.00 175.10 176.42 1llb n THR 55 N 1.70 0.00 0.32 3.92 -2.24 -1.26 -4.77 114.28 111.95 1llb n THR 55 Ca 0.00 -2.33 0.07 0.00 -2.27 0.00 0.00 64.05 59.52 1llb n THR 55 Cb 0.45 1.03 0.33 0.00 -2.10 0.00 0.00 70.33 70.04 1llb n THR 55 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1llb n GLN 56 N -0.73 0.07 -0.03 -0.78 6.02 -1.26 -2.14 117.38 118.53 1llb n GLN 56 Ca 0.02 0.40 0.10 0.00 -0.01 0.00 0.00 57.00 57.51 1llb n GLN 56 Cb 0.59 -1.66 0.10 0.00 1.02 0.00 0.00 30.24 30.29 1llb n GLN 56 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1llb n GLN 57 N -1.79 1.83 -2.26 -1.09 1.13 -1.26 -4.13 117.38 109.81 1llb n GLN 57 Ca 0.02 -1.75 -0.42 0.00 -1.94 0.00 0.00 57.00 52.90 1llb n GLN 57 Cb 0.13 -1.39 -0.03 0.00 0.11 0.00 0.00 30.24 29.06 1llb n GLN 57 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1llb s THR 58 N -1.57 3.60 -0.08 5.09 2.01 -0.91 -4.84 115.64 118.93 1llb s THR 58 Ca 0.25 1.13 -0.15 0.00 0.31 0.00 0.00 61.69 63.23 1llb s THR 58 Cb 0.17 -3.73 -0.05 0.00 0.01 0.00 0.00 72.50 68.90 1llb s THR 58 CO 0.25 0.08 0.38 -0.76 -0.69 0.00 0.00 174.62 173.87 1llb s LEU 59 N 1.24 4.36 0.19 4.42 1.02 -0.07 -4.06 118.68 125.79 1llb s LEU 59 Ca 0.62 0.77 0.11 0.00 0.02 0.00 0.00 54.13 55.66 1llb s LEU 59 Cb -0.34 -2.52 -0.04 0.00 0.02 0.00 0.00 46.19 43.31 1llb s LEU 59 CO 0.29 0.19 -0.22 -0.36 0.02 0.00 0.00 176.35 176.27 1llb s PHE 60 N -0.24 2.34 -0.09 0.29 0.40 0.26 -1.35 117.98 119.59 1llb s PHE 60 Ca 0.22 -0.34 -0.29 0.00 -0.60 0.00 0.00 56.93 55.91 1llb s PHE 60 Cb -0.15 -1.16 -0.02 0.00 0.51 0.00 0.00 43.02 42.21 1llb s PHE 60 CO 0.09 0.50 0.97 -1.21 0.70 0.00 0.00 175.22 176.28 1llb s GLU 61 N -2.69 4.44 0.34 0.44 2.02 -1.26 -1.35 118.70 120.64 1llb s GLU 61 Ca 0.21 1.34 0.23 0.00 0.02 0.00 0.00 54.97 56.78 1llb s GLU 61 Cb -0.08 -3.52 0.35 0.00 0.10 0.00 0.00 34.13 30.97 1llb s GLU 61 CO 0.10 -0.24 1.51 -0.07 0.02 0.00 0.00 175.26 176.58 1llb h LEU 62 N 7.73 0.00 0.00 1.80 3.38 -1.28 -3.43 115.31 123.51 1llb h LEU 62 Ca -0.33 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1llb h LEU 62 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1llb h LEU 62 CO 0.83 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.97 1llb n GLY 63 N 1.16 2.70 0.00 0.83 0.00 -1.24 -2.43 105.19 106.21 1llb n GLY 63 Ca 0.03 -0.43 0.02 0.00 0.00 0.00 0.00 46.02 45.65 1llb n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1llb n SER 64 N 1.27 0.00 0.26 1.61 7.64 -1.25 -1.07 113.62 122.07 1llb n SER 64 Ca 0.00 0.44 0.17 0.00 1.01 0.00 0.00 58.87 60.49 1llb n SER 64 Cb 0.00 -0.45 0.80 0.00 -1.01 0.00 0.00 64.21 63.55 1llb n SER 64 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1llb h VAL 65 N 0.00 0.00 -0.19 0.44 2.07 -1.57 -1.46 116.25 115.54 1llb h VAL 65 Ca 0.00 -0.25 0.04 0.00 0.82 0.00 0.00 66.70 67.31 1llb h VAL 65 Cb 0.07 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1llb h VAL 65 CO 0.00 0.00 0.13 0.28 0.02 0.00 0.00 177.57 178.00 1llb h SER 66 N 0.00 0.04 -0.03 0.57 0.02 -1.30 -1.61 113.55 111.24 1llb h SER 66 Ca 0.00 -0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1llb h SER 66 Cb 0.28 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.81 1llb h SER 66 CO 0.00 0.03 0.06 0.11 -1.14 0.00 0.00 176.83 175.89 1llb h LYS 67 N 0.05 0.00 -0.16 3.45 1.57 -1.41 -0.36 116.57 119.71 1llb h LYS 67 Ca 0.09 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.71 1llb h LYS 67 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1llb h LYS 67 CO -0.01 0.00 -0.55 1.79 -0.57 0.00 0.00 179.45 180.11 1llb h THR 68 N 0.00 1.33 -0.35 -0.16 1.35 -1.49 0.22 112.91 113.82 1llb h THR 68 Ca 0.01 -1.82 -0.13 0.00 -0.55 0.00 0.00 66.41 63.92 1llb h THR 68 Cb 0.14 1.81 -0.01 0.00 -1.73 0.00 0.00 68.15 68.37 1llb h THR 68 CO -0.00 0.56 -0.30 -0.26 -0.25 0.00 0.00 175.52 175.26 1llb h PHE 69 N 0.37 0.98 -0.68 4.73 0.04 -1.23 -1.99 116.94 119.16 1llb h PHE 69 Ca 0.01 -0.28 -0.01 0.00 2.80 0.00 0.00 57.97 60.48 1llb h PHE 69 Cb 1.08 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.99 1llb h PHE 69 CO 0.04 1.07 0.37 1.15 -0.60 0.00 0.00 178.31 180.34 1llb h THR 70 N 0.61 1.21 -0.57 -1.55 2.02 -1.09 -0.30 112.91 113.24 1llb h THR 70 Ca 0.06 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1llb h THR 70 Cb 0.88 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 1llb h THR 70 CO 0.08 0.23 0.36 1.23 0.37 0.00 0.00 175.52 177.79 1llb h GLY 71 N 0.94 0.81 1.28 2.16 0.00 -0.47 -0.52 103.07 107.27 1llb h GLY 71 Ca 0.24 -0.32 -0.12 0.00 0.00 0.00 0.00 47.33 47.13 1llb h GLY 71 CO -0.04 0.31 -0.20 -2.08 0.00 0.00 0.00 176.54 174.54 1llb h VAL 72 N 0.77 1.27 -0.63 4.60 2.07 -1.14 0.18 116.25 123.37 1llb h VAL 72 Ca 0.21 -1.32 -0.08 0.00 0.82 0.00 0.00 66.70 66.33 1llb h VAL 72 Cb -0.05 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1llb h VAL 72 CO -0.04 0.45 0.08 0.25 0.02 0.00 0.00 177.57 178.32 1llb h LEU 73 N 0.73 1.01 -0.67 2.57 5.85 -0.76 0.50 115.31 124.54 1llb h LEU 73 Ca 0.10 -0.25 -0.10 0.00 0.84 0.00 0.00 57.88 58.48 1llb h LEU 73 Cb 0.72 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1llb h LEU 73 CO 0.06 1.02 -0.07 1.23 -0.34 0.00 0.00 178.44 180.33 1llb h GLY 74 N 1.03 1.04 0.97 3.75 0.00 -0.83 -1.69 103.07 107.35 1llb h GLY 74 Ca 0.19 -0.79 0.02 0.00 0.00 0.00 0.00 47.33 46.74 1llb h GLY 74 CO 0.02 0.73 0.58 -1.33 0.00 0.00 0.00 176.54 176.53 1llb h GLY 75 N 0.97 1.24 1.20 4.60 0.00 -0.28 -0.80 103.07 110.01 1llb h GLY 75 Ca 0.15 -0.45 -0.09 0.00 0.00 0.00 0.00 47.33 46.93 1llb h GLY 75 CO 0.04 0.43 -0.01 -1.80 0.00 0.00 0.00 176.54 175.19 1llb h ASP 76 N 1.16 0.94 0.01 0.19 3.58 -0.57 -1.31 116.42 120.42 1llb h ASP 76 Ca 0.33 -0.26 -0.10 0.00 0.42 0.00 0.00 57.03 57.42 1llb h ASP 76 Cb -0.10 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.69 1llb h ASP 76 CO -0.08 1.00 -0.30 0.00 -2.88 0.00 0.00 179.24 176.98 1llb h ALA 77 N 1.09 1.08 -0.18 -0.78 0.00 -0.77 0.17 119.26 119.86 1llb h ALA 77 Ca 0.16 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1llb h ALA 77 Cb 0.54 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1llb h ALA 77 CO 0.03 0.57 0.03 0.82 0.00 0.00 0.00 179.25 180.70 1llb h ILE 78 N 0.38 1.23 -0.11 0.00 2.04 -0.79 -0.76 117.51 119.49 1llb h ILE 78 Ca 0.05 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 1llb h ILE 78 Cb 0.72 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 1llb h ILE 78 CO 0.06 0.23 0.04 0.00 0.00 0.00 0.00 178.15 178.47 1llb h ALA 79 N 0.82 1.87 -0.00 1.87 0.00 -0.77 0.88 119.26 123.93 1llb h ALA 79 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1llb h ALA 79 Cb 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1llb h ALA 79 CO 0.00 0.11 0.00 0.54 0.00 0.00 0.00 179.25 179.90 1llb n ARG 80 N -4.49 1.06 -1.15 0.00 1.74 0.00 -4.89 116.66 108.93 1llb n ARG 80 Ca -0.01 -0.09 -0.05 0.00 -0.77 0.00 0.00 57.85 56.92 1llb n ARG 80 Cb 0.11 -1.45 -0.02 0.00 -1.02 0.00 0.00 32.46 30.07 1llb n ARG 80 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1llb n GLY 81 N 0.97 0.73 0.10 -0.13 0.00 0.30 -4.91 105.19 102.25 1llb n GLY 81 Ca 0.21 -0.31 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 1llb n GLY 81 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1llb h GLU 82 N 0.25 0.22 -4.58 1.61 5.08 -1.32 -3.48 114.58 112.36 1llb h GLU 82 Ca -0.11 -0.38 -0.23 0.00 -1.00 0.00 0.00 59.36 57.64 1llb h GLU 82 Cb 0.56 0.14 -0.15 0.00 0.50 0.00 0.00 28.75 29.81 1llb h GLU 82 CO 0.16 1.15 -0.65 0.96 -1.00 0.00 0.00 179.01 179.62 1llb s ILE 83 N -2.65 0.35 -0.01 3.13 -4.36 -1.16 -4.80 121.20 111.69 1llb s ILE 83 Ca -0.04 -1.94 0.03 0.00 -0.26 0.00 0.00 60.65 58.44 1llb s ILE 83 Cb 0.07 -2.07 -0.00 0.00 1.25 0.00 0.00 42.46 41.71 1llb s ILE 83 CO 0.87 -0.48 -0.10 -0.54 0.24 0.00 0.00 174.94 174.93 1llb s LYS 84 N -3.99 0.84 0.55 0.37 1.02 -1.26 -4.30 119.74 112.98 1llb s LYS 84 Ca 0.24 -0.34 0.34 0.00 0.02 0.00 0.00 55.97 56.23 1llb s LYS 84 Cb 0.07 -0.80 1.45 0.00 -0.52 0.00 0.00 37.83 38.03 1llb s LYS 84 CO 0.02 0.19 2.01 -0.07 -0.92 0.00 0.00 175.35 176.58 1llb h LEU 85 N 6.02 0.00 -0.04 3.17 3.38 -1.99 -1.96 115.31 123.89 1llb h LEU 85 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1llb h LEU 85 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1llb h LEU 85 CO 0.49 0.00 -0.03 -1.54 0.09 0.00 0.00 178.44 177.45 1llb n SER 86 N -3.07 0.10 -4.79 -0.43 3.41 -1.26 -1.19 113.62 106.40 1llb n SER 86 Ca 0.00 -0.21 -0.36 0.00 -0.26 0.00 0.00 58.87 58.04 1llb n SER 86 Cb 0.28 -0.24 -0.06 0.00 -0.26 0.00 0.00 64.21 63.94 1llb n SER 86 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1llb s ASP 87 N -2.58 7.09 0.45 4.04 -0.00 -0.74 -4.84 116.67 120.10 1llb s ASP 87 Ca 0.28 1.89 -0.25 0.00 -0.00 0.00 0.00 52.55 54.47 1llb s ASP 87 Cb 0.20 -2.58 -0.08 0.00 -0.00 0.00 0.00 42.92 40.47 1llb s ASP 87 CO 0.47 -0.25 1.34 -2.84 -0.00 0.00 0.00 175.17 173.89 1llb s PRO 88 N -2.34 3.72 0.35 8.23 0.02 -1.26 -1.33 135.00 142.40 1llb s PRO 88 Ca 0.54 2.22 0.06 0.00 0.02 0.00 0.00 61.00 63.84 1llb s PRO 88 Cb -0.19 -2.61 0.73 0.00 0.02 0.00 0.00 34.50 32.45 1llb s PRO 88 CO 0.24 -0.72 1.94 1.15 -0.33 0.00 0.00 177.00 179.28 1llb h THR 89 N 2.19 0.99 0.00 0.99 2.02 -1.43 -1.86 112.91 115.81 1llb h THR 89 Ca -0.50 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.41 1llb h THR 89 Cb 1.26 0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1llb h THR 89 CO 0.61 0.14 -0.02 0.74 0.37 0.00 0.00 175.52 177.36 1llb h THR 90 N 0.78 0.20 -0.47 3.16 2.02 -1.82 -2.12 112.91 114.66 1llb h THR 90 Ca 0.35 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.37 1llb h THR 90 Cb 0.34 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 1llb h THR 90 CO -0.13 0.02 0.26 0.50 0.37 0.00 0.00 175.52 176.54 1llb h LYS 91 N 0.00 0.64 -0.00 6.66 3.64 -1.70 -2.81 116.57 123.00 1llb h LYS 91 Ca -0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1llb h LYS 91 Cb 0.12 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1llb h LYS 91 CO 0.00 0.48 -0.84 0.66 -2.27 0.00 0.00 179.45 177.48 1llb n TYR 92 N -4.42 0.00 -3.40 1.91 4.02 -0.82 -4.55 117.16 109.90 1llb n TYR 92 Ca 0.04 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.66 1llb n TYR 92 Cb 0.10 -0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.32 1llb n TYR 92 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 176.86 177.72 1llb n TRP 93 N -1.04 -0.11 -0.34 -0.72 -0.00 -1.08 -4.99 117.44 109.16 1llb n TRP 93 Ca 0.06 -3.52 0.23 0.00 -0.00 0.00 0.00 57.50 54.27 1llb n TRP 93 Cb 0.37 -0.02 0.49 0.00 -0.00 0.00 0.00 31.31 32.15 1llb n TRP 93 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 1llb h PRO 94 N 5.13 0.39 0.00 5.87 0.11 -1.75 -0.15 132.00 141.60 1llb h PRO 94 Ca 0.20 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1llb h PRO 94 Cb 0.87 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1llb h PRO 94 CO 0.45 0.26 0.00 0.39 -0.21 0.00 0.00 178.00 178.89 1llb n GLU 95 N -4.76 0.04 -2.64 1.05 1.02 -1.26 -4.32 120.64 109.77 1llb n GLU 95 Ca 0.28 0.22 -0.43 0.00 -0.02 0.00 0.00 57.16 57.21 1llb n GLU 95 Cb 0.92 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.77 1llb n GLU 95 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1llb n LEU 96 N -1.65 5.26 -0.08 -4.62 7.94 -0.07 -4.71 117.00 119.07 1llb n LEU 96 Ca 0.04 -4.17 0.11 0.00 -1.11 0.00 0.00 56.01 50.88 1llb n LEU 96 Cb 0.23 -1.68 0.01 0.00 0.53 0.00 0.00 43.42 42.50 1llb n LEU 96 CO 0.18 0.48 0.16 0.35 -1.11 0.00 0.00 177.39 177.45 1llb n THR 97 N 5.51 0.00 -1.76 1.96 -2.24 -1.26 -4.73 114.28 111.76 1llb n THR 97 Ca 0.44 -0.04 -0.42 0.00 -2.27 0.00 0.00 64.05 61.77 1llb n THR 97 Cb 0.44 0.83 -0.00 0.00 -2.10 0.00 0.00 70.33 69.49 1llb n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1llb n ALA 98 N -1.25 2.20 0.04 6.98 0.00 -1.26 -4.88 120.51 122.34 1llb n ALA 98 Ca 0.06 0.35 0.21 0.00 0.00 0.00 0.00 53.44 54.06 1llb n ALA 98 Cb 0.35 -2.40 0.73 0.00 0.00 0.00 0.00 19.45 18.14 1llb n ALA 98 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1llb h LYS 99 N 3.23 0.00 0.00 0.00 2.10 -1.94 -2.18 116.57 117.78 1llb h LYS 99 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 1llb h LYS 99 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1llb h LYS 99 CO 0.67 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 178.12 1llb n GLN 100 N -4.03 0.05 0.00 0.07 0.00 -1.26 -2.07 117.38 110.13 1llb n GLN 100 Ca 0.09 0.34 0.13 0.00 0.00 0.00 0.00 57.00 57.56 1llb n GLN 100 Cb 0.63 -1.60 0.42 0.00 0.00 0.00 0.00 30.24 29.69 1llb n GLN 100 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.06 177.97 1llb n TRP 101 N -1.69 0.00 -1.90 2.61 7.02 -0.82 -4.76 117.44 117.90 1llb n TRP 101 Ca 0.02 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.08 1llb n TRP 101 Cb 0.15 -0.20 -0.03 0.00 -2.42 0.00 0.00 31.31 28.82 1llb n TRP 101 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 1llb s ASN 102 N -2.65 6.59 0.00 -0.99 0.01 -0.88 -1.37 114.94 115.65 1llb s ASN 102 Ca 0.21 2.43 0.00 0.00 -0.71 0.00 0.00 52.86 54.79 1llb s ASN 102 Cb 0.19 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.31 1llb s ASN 102 CO 0.55 -0.94 0.00 0.61 -1.51 0.00 0.00 177.10 175.81 1llb n GLY 103 N 4.17 0.79 3.56 0.66 0.00 -1.26 -5.02 105.19 108.08 1llb n GLY 103 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1llb n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1llb s ILE 104 N -2.55 5.09 0.43 -0.61 1.01 -0.47 -4.89 121.20 119.20 1llb s ILE 104 Ca 0.00 0.27 0.08 0.00 0.00 0.00 0.00 60.65 61.00 1llb s ILE 104 Cb 0.00 -3.88 0.01 0.00 0.01 0.00 0.00 42.46 38.60 1llb s ILE 104 CO 0.00 -0.12 0.54 0.42 0.00 0.00 0.00 174.94 175.78 1llb s THR 105 N 2.21 2.88 0.38 2.92 -4.23 -1.26 -1.20 115.64 117.34 1llb s THR 105 Ca 0.16 -1.07 0.05 0.00 -1.18 0.00 0.00 61.69 59.65 1llb s THR 105 Cb -0.16 -2.96 0.27 0.00 1.34 0.00 0.00 72.50 71.00 1llb s THR 105 CO 0.12 0.00 2.01 -0.07 -0.54 0.00 0.00 174.62 176.15 1llb h LEU 106 N 0.70 0.61 -0.59 4.79 3.38 -1.19 -1.64 115.31 121.37 1llb h LEU 106 Ca -0.40 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 57.62 1llb h LEU 106 Cb 1.28 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.83 1llb h LEU 106 CO 0.47 0.43 0.31 0.25 0.09 0.00 0.00 178.44 179.99 1llb h LEU 107 N 0.71 0.45 -0.52 1.67 5.85 -1.43 -0.71 115.31 121.33 1llb h LEU 107 Ca 0.22 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.98 1llb h LEU 107 Cb 0.02 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1llb h LEU 107 CO -0.06 0.29 0.35 0.45 -0.34 0.00 0.00 178.44 179.13 1llb h HIS 108 N 0.58 0.65 -0.37 1.25 3.86 -1.59 -1.78 115.15 117.76 1llb h HIS 108 Ca 0.27 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.47 1llb h HIS 108 Cb 0.18 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.41 1llb h HIS 108 CO -0.10 0.41 0.16 -0.07 0.86 0.00 0.00 177.93 179.20 1llb h LEU 109 N 0.71 0.50 -1.76 2.43 3.38 -0.98 -0.45 115.31 119.13 1llb h LEU 109 Ca 0.19 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1llb h LEU 109 Cb -0.08 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 1llb h LEU 109 CO -0.04 0.51 -0.16 0.00 0.09 0.00 0.00 178.44 178.83 1llb h ALA 110 N 1.01 1.52 -0.21 1.53 0.00 -0.90 -2.53 119.26 119.68 1llb h ALA 110 Ca 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1llb h ALA 110 Cb 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1llb h ALA 110 CO -0.01 0.20 0.00 0.25 0.00 0.00 0.00 179.25 179.69 1llb n THR 111 N -4.04 1.28 -2.24 0.00 -2.24 -0.69 -4.44 114.28 101.92 1llb n THR 111 Ca -0.02 -1.24 -0.14 0.00 -2.27 0.00 0.00 64.05 60.37 1llb n THR 111 Cb 0.24 0.32 -0.01 0.00 -2.10 0.00 0.00 70.33 68.78 1llb n THR 111 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1llb n TYR 112 N -0.09 -0.65 -1.18 4.78 0.53 -0.72 -4.81 117.16 115.03 1llb n TYR 112 Ca 0.10 0.00 0.07 0.00 -1.02 0.00 0.00 57.90 57.05 1llb n TYR 112 Cb 0.47 -2.99 0.19 0.00 -1.03 0.00 0.00 39.34 35.98 1llb n TYR 112 CO 0.00 0.00 0.00 0.25 -1.02 0.00 0.00 176.86 176.09 1llb n THR 113 N -3.96 2.14 0.25 -0.72 -2.24 -0.26 -1.46 114.28 108.03 1llb n THR 113 Ca -0.17 -2.37 0.15 0.00 -2.27 0.00 0.00 64.05 59.39 1llb n THR 113 Cb 0.62 -0.26 0.52 0.00 -2.10 0.00 0.00 70.33 69.11 1llb n THR 113 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1llb h ALA 114 N 0.79 1.00 0.00 6.98 0.00 -1.80 0.66 119.26 126.88 1llb h ALA 114 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1llb h ALA 114 Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1llb h ALA 114 CO 0.12 0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.83 1llb n GLY 115 N 0.33 1.09 0.24 0.00 0.00 -1.26 -3.99 105.19 101.59 1llb n GLY 115 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1llb n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1llb n GLY 116 N 0.00 1.44 3.74 -0.02 0.00 -1.26 -0.44 105.19 108.66 1llb n GLY 116 Ca 0.00 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 1llb n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1llb n LEU 117 N 0.00 5.05 -4.79 0.99 4.77 -1.26 -4.72 117.00 117.04 1llb n LEU 117 Ca 0.00 1.06 -0.33 0.00 -0.03 0.00 0.00 56.01 56.70 1llb n LEU 117 Cb 0.04 -1.57 0.01 0.00 -2.33 0.00 0.00 43.42 39.57 1llb n LEU 117 CO 0.00 -0.45 0.73 -2.16 -1.33 0.00 0.00 177.39 174.18 1llb s PRO 118 N -2.58 3.27 0.19 3.23 0.04 -1.26 -4.77 135.00 133.11 1llb s PRO 118 Ca 0.65 1.31 -0.19 0.00 0.04 0.00 0.00 61.00 62.82 1llb s PRO 118 Cb -0.45 -2.02 0.14 0.00 0.04 0.00 0.00 34.50 32.21 1llb s PRO 118 CO 0.54 -0.87 1.61 1.25 0.04 0.00 0.00 177.00 179.57 1llb h LEU 119 N 0.57 -0.87 -9.04 -3.56 5.85 -1.91 -3.16 115.31 103.18 1llb h LEU 119 Ca -0.47 0.19 -0.67 0.00 0.84 0.00 0.00 57.88 57.77 1llb h LEU 119 Cb 1.23 0.46 -0.19 0.00 0.37 0.00 0.00 40.66 42.53 1llb h LEU 119 CO 0.57 -0.27 -0.82 -1.10 -0.34 0.00 0.00 178.44 176.48 1llb s GLN 120 N -6.10 1.62 0.08 1.25 -1.52 -1.26 -0.12 119.66 113.61 1llb s GLN 120 Ca -0.14 -1.33 -0.30 0.00 -1.95 0.00 0.00 55.36 51.64 1llb s GLN 120 Cb 0.16 -1.98 -0.05 0.00 -0.22 0.00 0.00 33.01 30.92 1llb s GLN 120 CO 0.70 0.45 0.96 0.08 -0.25 0.00 0.00 175.29 177.23 1llb s VAL 121 N -1.29 4.59 0.28 1.09 1.01 -1.26 -4.80 120.40 120.01 1llb s VAL 121 Ca 0.18 2.06 -0.29 0.00 0.00 0.00 0.00 61.98 63.93 1llb s VAL 121 Cb -0.10 -4.32 -0.14 0.00 0.00 0.00 0.00 36.38 31.83 1llb s VAL 121 CO 0.09 0.28 1.02 -2.65 0.00 0.00 0.00 175.10 173.85 1llb n PRO 122 N 3.05 1.32 0.16 2.72 -0.02 -1.26 -4.84 135.00 136.13 1llb n PRO 122 Ca 0.03 0.46 0.15 0.00 -2.02 0.00 0.00 63.50 62.12 1llb n PRO 122 Cb 0.50 -1.85 0.72 0.00 -0.02 0.00 0.00 33.50 32.85 1llb n PRO 122 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1llb h ASP 123 N 2.15 0.00 0.83 2.55 3.58 -2.01 -1.08 116.42 122.44 1llb h ASP 123 Ca -0.40 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.05 1llb h ASP 123 Cb 1.34 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.39 1llb h ASP 123 CO 0.62 0.00 0.00 -0.62 -2.88 0.00 0.00 179.24 176.36 1llb n GLU 124 N -4.26 0.10 -2.93 0.28 4.71 -1.26 -4.64 120.64 112.64 1llb n GLU 124 Ca 0.02 0.25 -0.41 0.00 -0.01 0.00 0.00 57.16 57.01 1llb n GLU 124 Cb 0.32 -1.66 -0.04 0.00 -1.01 0.00 0.00 31.44 29.04 1llb n GLU 124 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1llb s VAL 125 N -3.11 4.91 0.14 2.62 1.01 -0.41 -4.86 120.40 120.70 1llb s VAL 125 Ca 0.08 1.54 0.00 0.00 0.00 0.00 0.00 61.98 63.61 1llb s VAL 125 Cb 0.12 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1llb s VAL 125 CO 0.41 0.04 0.00 0.29 0.00 0.00 0.00 175.10 175.84 1llb n LYS 126 N 5.22 0.00 -1.41 2.72 4.01 -1.26 -4.18 118.16 123.26 1llb n LYS 126 Ca 0.03 0.00 -0.29 0.00 -0.51 0.00 0.00 58.31 57.54 1llb n LYS 126 Cb 0.49 -0.25 0.12 0.00 -0.51 0.00 0.00 35.03 34.89 1llb n LYS 126 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1llb s SER 127 N -5.42 3.74 0.35 4.39 1.04 -1.26 -4.73 113.70 111.81 1llb s SER 127 Ca 0.00 1.25 0.07 0.00 0.48 0.00 0.00 55.95 57.75 1llb s SER 127 Cb 0.00 -1.92 0.66 0.00 0.10 0.00 0.00 66.02 64.86 1llb s SER 127 CO 0.00 -2.44 1.87 0.77 0.98 0.00 0.00 173.24 174.42 1llb h SER 128 N -1.41 0.34 -0.37 7.02 4.64 -2.00 -0.47 113.55 121.30 1llb h SER 128 Ca -0.49 -0.08 -0.09 0.00 -0.47 0.00 0.00 61.79 60.66 1llb h SER 128 Cb 1.30 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1llb h SER 128 CO 0.59 0.49 -0.11 0.28 -0.87 0.00 0.00 176.83 177.21 1llb h SER 129 N 0.34 0.75 -0.85 4.97 0.02 -2.00 -1.39 113.55 115.39 1llb h SER 129 Ca 0.07 -0.37 -0.03 0.00 -0.84 0.00 0.00 61.79 60.61 1llb h SER 129 Cb 0.42 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.72 1llb h SER 129 CO 0.02 0.95 0.41 0.44 -1.14 0.00 0.00 176.83 177.51 1llb h ASP 130 N 0.54 1.11 -0.36 3.07 3.45 -1.81 -2.20 116.42 120.22 1llb h ASP 130 Ca 0.09 -0.13 -0.09 0.00 0.43 0.00 0.00 57.03 57.33 1llb h ASP 130 Cb 0.63 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 39.11 1llb h ASP 130 CO 0.04 0.93 -0.12 0.25 -1.57 0.00 0.00 179.24 178.77 1llb h LEU 131 N 1.20 0.73 -0.49 1.55 5.85 -0.88 -0.87 115.31 122.40 1llb h LEU 131 Ca 0.29 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1llb h LEU 131 Cb 0.11 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1llb h LEU 131 CO -0.04 0.94 0.27 0.25 -0.34 0.00 0.00 178.44 179.53 1llb h LEU 132 N 0.50 0.60 -0.41 2.25 5.85 -1.12 -1.48 115.31 121.50 1llb h LEU 132 Ca 0.09 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.75 1llb h LEU 132 Cb 0.64 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1llb h LEU 132 CO 0.04 0.51 0.23 -0.09 -0.34 0.00 0.00 178.44 178.78 1llb h ARG 133 N 0.64 0.44 -0.11 1.25 2.43 -1.24 0.27 114.38 118.07 1llb h ARG 133 Ca 0.17 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.35 1llb h ARG 133 Cb 0.03 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.44 1llb h ARG 133 CO -0.03 0.29 -0.11 0.35 -1.51 0.00 0.00 179.97 178.96 1llb h PHE 134 N 0.45 -0.28 -0.09 2.20 3.57 -0.70 -0.26 116.94 121.83 1llb h PHE 134 Ca 0.17 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.54 1llb h PHE 134 Cb 0.04 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 1llb h PHE 134 CO -0.09 -0.17 -0.58 1.88 -2.23 0.00 0.00 178.31 177.12 1llb h TYR 135 N -0.14 0.37 -0.05 0.41 0.05 -1.04 -1.62 116.97 114.95 1llb h TYR 135 Ca 0.08 -0.14 -0.07 0.00 0.05 0.00 0.00 58.73 58.65 1llb h TYR 135 Cb 0.26 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 1llb h TYR 135 CO -0.23 0.80 -0.30 1.96 -1.05 0.00 0.00 178.16 179.34 1llb h GLN 136 N 0.22 0.08 0.00 4.88 1.08 -0.15 -3.01 115.11 118.21 1llb h GLN 136 Ca -0.00 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1llb h GLN 136 Cb 1.09 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.51 1llb h GLN 136 CO 0.09 0.39 -0.71 0.09 -0.95 0.00 0.00 178.83 177.74 1llb n ASN 137 N -4.15 0.63 -4.75 1.46 3.02 -0.14 -4.84 115.26 106.49 1llb n ASN 137 Ca -0.02 -0.36 -0.41 0.00 -0.03 0.00 0.00 54.58 53.76 1llb n ASN 137 Cb 0.37 0.50 -0.03 0.00 -0.61 0.00 0.00 39.78 40.01 1llb n ASN 137 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1llb s TRP 138 N -3.05 3.12 -0.13 3.10 -0.00 -0.62 -5.01 118.94 116.34 1llb s TRP 138 Ca 0.09 1.21 0.02 0.00 -0.00 0.00 0.00 56.10 57.42 1llb s TRP 138 Cb 0.16 -3.70 -0.00 0.00 -0.00 0.00 0.00 33.47 29.93 1llb s TRP 138 CO 0.75 -2.14 -0.18 -0.65 -0.00 0.00 0.00 176.95 174.74 1llb s GLN 139 N -0.70 3.18 0.56 5.86 -1.52 -1.26 -4.96 119.66 120.82 1llb s GLN 139 Ca 0.55 -0.79 -0.20 0.00 -1.95 0.00 0.00 55.36 52.97 1llb s GLN 139 Cb -0.39 -2.51 -0.04 0.00 -0.22 0.00 0.00 33.01 29.85 1llb s GLN 139 CO 0.44 0.10 1.25 -2.14 -0.25 0.00 0.00 175.29 174.70 1llb s PRO 140 N 0.57 3.10 0.10 2.91 0.02 -1.26 -4.95 135.00 135.48 1llb s PRO 140 Ca -0.11 1.96 0.18 0.00 0.02 0.00 0.00 61.00 63.05 1llb s PRO 140 Cb -0.16 -2.09 -0.10 0.00 0.02 0.00 0.00 34.50 32.17 1llb s PRO 140 CO 0.04 -1.14 0.89 0.00 -0.33 0.00 0.00 177.00 176.46 1llb h ALA 141 N 1.19 0.63 -2.63 -1.55 0.00 -1.03 -3.48 119.26 112.39 1llb h ALA 141 Ca -0.50 -0.69 -0.12 0.00 0.00 0.00 0.00 54.91 53.59 1llb h ALA 141 Cb 1.30 0.22 -0.13 0.00 0.00 0.00 0.00 17.79 19.18 1llb h ALA 141 CO 0.56 0.76 -0.37 -1.58 0.00 0.00 0.00 179.25 178.62 1llb s TRP 142 N -2.99 0.53 0.75 0.00 0.51 -1.15 -5.03 118.94 111.55 1llb s TRP 142 Ca -0.02 -0.88 -0.11 0.00 -2.12 0.00 0.00 56.10 52.97 1llb s TRP 142 Cb 0.09 -0.13 0.04 0.00 -0.81 0.00 0.00 33.47 32.66 1llb s TRP 142 CO 0.80 -0.72 1.08 0.00 -0.51 0.00 0.00 176.95 177.61 1llb s ALA 143 N -4.00 2.37 0.54 0.98 0.00 -1.26 -4.45 121.76 115.93 1llb s ALA 143 Ca 0.21 0.20 -0.22 0.00 0.00 0.00 0.00 51.96 52.15 1llb s ALA 143 Cb 0.04 -3.24 -0.05 0.00 0.00 0.00 0.00 23.12 19.87 1llb s ALA 143 CO 0.02 -1.62 1.30 -2.14 0.00 0.00 0.00 175.76 173.33 1llb s PRO 144 N -4.95 3.23 -1.08 0.00 0.02 -1.26 -3.30 135.00 127.67 1llb s PRO 144 Ca 0.60 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.73 1llb s PRO 144 Cb -0.16 -2.25 0.00 0.00 0.02 0.00 0.00 34.50 32.11 1llb s PRO 144 CO 0.56 -1.08 0.00 0.41 -0.33 0.00 0.00 177.00 176.56 1llb n GLY 145 N 0.66 0.83 0.02 0.52 0.00 0.22 -4.90 105.19 102.54 1llb n GLY 145 Ca 0.10 -0.51 -0.03 0.00 0.00 0.00 0.00 46.02 45.59 1llb n GLY 145 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1llb n THR 146 N -3.08 0.27 -4.26 2.61 -2.24 -1.21 -4.87 114.28 101.50 1llb n THR 146 Ca -0.11 -0.13 -0.17 0.00 -2.27 0.00 0.00 64.05 61.36 1llb n THR 146 Cb 0.43 -0.78 -0.14 0.00 -2.10 0.00 0.00 70.33 67.74 1llb n THR 146 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1llb s GLN 147 N -2.10 0.67 -0.23 -0.78 -1.52 -1.26 -1.96 119.66 112.48 1llb s GLN 147 Ca -0.04 -0.48 -0.10 0.00 -1.95 0.00 0.00 55.36 52.80 1llb s GLN 147 Cb 0.01 -0.62 -0.05 0.00 -0.22 0.00 0.00 33.01 32.14 1llb s GLN 147 CO 0.13 0.16 0.13 0.50 -0.25 0.00 0.00 175.29 175.96 1llb s ARG 148 N -0.67 4.01 -0.27 2.91 3.52 0.46 -4.27 118.95 124.64 1llb s ARG 148 Ca 0.00 -0.30 -0.01 0.00 -0.13 0.00 0.00 55.73 55.28 1llb s ARG 148 Cb -0.05 -3.45 0.09 0.00 -1.56 0.00 0.00 34.95 29.97 1llb s ARG 148 CO 0.00 0.08 0.07 -1.17 -0.81 0.00 0.00 175.30 173.48 1llb s LEU 149 N 0.96 1.94 0.10 -0.88 2.96 -0.54 -1.68 118.68 121.53 1llb s LEU 149 Ca 0.06 -1.38 -0.36 0.00 -0.22 0.00 0.00 54.13 52.23 1llb s LEU 149 Cb -0.13 -0.80 -0.16 0.00 0.50 0.00 0.00 46.19 45.59 1llb s LEU 149 CO 0.03 -0.37 1.36 0.00 -1.32 0.00 0.00 176.35 176.05 1llb n TYR 150 N 4.90 1.57 -3.65 5.38 4.19 -1.26 -4.79 117.16 123.49 1llb n TYR 150 Ca -0.05 0.61 -0.06 0.00 3.31 0.00 0.00 57.90 61.71 1llb n TYR 150 Cb 0.43 -2.35 -0.07 0.00 0.49 0.00 0.00 39.34 37.84 1llb n TYR 150 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1llb s ALA 151 N 0.50 -1.70 0.32 2.98 0.00 -1.26 -4.29 121.76 118.31 1llb s ALA 151 Ca 0.84 2.17 0.03 0.00 0.00 0.00 0.00 51.96 55.00 1llb s ALA 151 Cb -0.93 -1.40 0.56 0.00 0.00 0.00 0.00 23.12 21.35 1llb s ALA 151 CO 0.46 -0.51 1.85 -0.91 0.00 0.00 0.00 175.76 176.66 1llb h ASN 152 N 7.34 0.53 0.82 0.00 2.35 -0.66 -2.54 115.58 123.42 1llb h ASN 152 Ca -0.27 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.37 1llb h ASN 152 Cb 1.18 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.41 1llb h ASN 152 CO 0.17 0.61 0.00 -1.54 -1.65 0.00 0.00 177.43 175.01 1llb n SER 153 N -4.26 0.65 -0.04 5.81 3.41 -1.19 -0.55 113.62 117.44 1llb n SER 153 Ca 0.02 0.64 -0.02 0.00 -0.26 0.00 0.00 58.87 59.25 1llb n SER 153 Cb 0.26 -0.79 -0.01 0.00 -0.26 0.00 0.00 64.21 63.41 1llb n SER 153 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1llb h SER 154 N 0.00 0.00 0.60 4.04 0.87 -1.70 -3.28 113.55 114.08 1llb h SER 154 Ca 0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 1llb h SER 154 Cb 0.41 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1llb h SER 154 CO 0.00 0.46 -0.31 -0.29 -0.53 0.00 0.00 176.83 176.16 1llb h ILE 155 N -0.65 0.90 -0.70 2.23 2.10 -1.30 -1.79 117.51 118.30 1llb h ILE 155 Ca 0.00 -1.21 -0.03 0.00 1.08 0.00 0.00 64.86 64.70 1llb h ILE 155 Cb 0.27 1.72 -0.03 0.00 -1.09 0.00 0.00 36.82 37.68 1llb h ILE 155 CO 0.00 0.30 0.32 1.23 -1.08 0.00 0.00 178.15 178.92 1llb h GLY 156 N 1.51 1.10 1.28 8.18 0.00 -1.02 -0.76 103.07 113.35 1llb h GLY 156 Ca -0.00 -0.56 -0.15 0.00 0.00 0.00 0.00 47.33 46.61 1llb h GLY 156 CO 0.04 0.53 -0.42 -2.00 0.00 0.00 0.00 176.54 174.69 1llb h LEU 157 N 0.98 0.84 -0.49 3.11 5.85 -1.50 -2.56 115.31 121.55 1llb h LEU 157 Ca 0.24 -0.39 0.07 0.00 0.84 0.00 0.00 57.88 58.63 1llb h LEU 157 Cb 0.15 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.88 1llb h LEU 157 CO -0.03 1.15 0.16 0.15 -0.34 0.00 0.00 178.44 179.53 1llb h PHE 158 N 0.63 0.28 -0.33 1.25 3.57 -0.92 -1.18 116.94 120.24 1llb h PHE 158 Ca 0.05 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1llb h PHE 158 Cb 0.98 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.66 1llb h PHE 158 CO 0.05 0.08 0.21 0.78 -2.23 0.00 0.00 178.31 177.20 1llb h GLY 159 N 0.33 0.48 1.18 2.40 0.00 -0.96 0.67 103.07 107.17 1llb h GLY 159 Ca 0.24 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.35 1llb h GLY 159 CO -0.26 0.19 0.34 0.00 0.00 0.00 0.00 176.54 176.81 1llb h ALA 160 N 1.10 1.22 0.01 3.60 0.00 -1.07 -2.96 119.26 121.16 1llb h ALA 160 Ca 0.12 -0.15 -0.22 0.00 0.00 0.00 0.00 54.91 54.66 1llb h ALA 160 Cb -0.02 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1llb h ALA 160 CO -0.02 0.59 -1.04 -0.07 0.00 0.00 0.00 179.25 178.71 1llb h LEU 161 N 1.05 0.03 -1.76 0.00 3.38 -1.03 -3.32 115.31 113.65 1llb h LEU 161 Ca 0.25 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1llb h LEU 161 Cb 0.12 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1llb h LEU 161 CO -0.03 1.03 0.07 0.00 0.09 0.00 0.00 178.44 179.60 1llb h ALA 162 N 0.97 1.82 -0.02 1.53 0.00 -0.69 -1.81 119.26 121.06 1llb h ALA 162 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1llb h ALA 162 Cb 1.79 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1llb h ALA 162 CO 0.13 0.15 -0.07 1.33 0.00 0.00 0.00 179.25 180.80 1llb n VAL 163 N -4.47 0.00 -0.15 0.00 0.24 -1.21 -4.44 118.33 108.29 1llb n VAL 163 Ca -0.00 -0.27 -0.06 0.00 -2.04 0.00 0.00 64.34 61.96 1llb n VAL 163 Cb 0.11 0.69 0.03 0.00 -1.47 0.00 0.00 33.84 33.20 1llb n VAL 163 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1llb h LYS 164 N 2.58 0.52 -0.83 7.34 1.79 -1.44 -2.64 116.57 123.89 1llb h LYS 164 Ca 0.00 -0.03 0.08 0.00 -2.18 0.00 0.00 60.65 58.52 1llb h LYS 164 Cb 0.60 -0.12 -0.06 0.00 -1.58 0.00 0.00 32.23 31.08 1llb h LYS 164 CO 0.00 0.35 0.54 -1.35 -1.08 0.00 0.00 179.45 177.91 1llb h PRO 165 N 0.54 0.81 0.00 3.15 0.11 -1.78 -1.05 132.00 133.79 1llb h PRO 165 Ca 0.19 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.25 1llb h PRO 165 Cb 0.03 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 30.96 1llb h PRO 165 CO -0.09 0.54 -0.01 0.66 -0.21 0.00 0.00 178.00 178.89 1llb h SER 166 N 0.84 0.00 0.00 -2.05 4.64 -1.77 -3.46 113.55 111.75 1llb h SER 166 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1llb h SER 166 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1llb h SER 166 CO -0.14 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.44 1llb n GLY 167 N -0.16 0.72 3.89 -0.77 0.00 -0.40 -4.99 105.19 103.49 1llb n GLY 167 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1llb n GLY 167 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1llb s LEU 168 N 0.00 3.91 0.83 0.99 1.43 -1.25 -5.07 118.68 119.51 1llb s LEU 168 Ca 0.00 0.90 -0.11 0.00 -1.03 0.00 0.00 54.13 53.89 1llb s LEU 168 Cb 0.00 -3.76 0.09 0.00 0.03 0.00 0.00 46.19 42.55 1llb s LEU 168 CO 0.00 -0.33 1.09 -0.94 0.23 0.00 0.00 176.35 176.40 1llb s SER 169 N -3.33 4.12 0.17 2.29 1.04 -1.26 -4.72 113.70 112.00 1llb s SER 169 Ca 0.47 1.53 -0.15 0.00 0.48 0.00 0.00 55.95 58.28 1llb s SER 169 Cb -0.10 -2.24 0.06 0.00 0.10 0.00 0.00 66.02 63.83 1llb s SER 169 CO 0.33 -2.24 1.82 0.15 0.98 0.00 0.00 173.24 174.28 1llb h PHE 170 N -1.27 0.54 -0.42 5.02 3.57 -1.93 -0.33 116.94 122.12 1llb h PHE 170 Ca -0.47 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.04 1llb h PHE 170 Cb 1.26 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.80 1llb h PHE 170 CO 0.49 0.33 0.23 1.49 -2.23 0.00 0.00 178.31 178.61 1llb h GLU 171 N 0.58 0.59 -0.38 1.11 4.81 -1.99 0.71 114.58 120.01 1llb h GLU 171 Ca 0.18 -0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.37 1llb h GLU 171 Cb -0.02 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 1llb h GLU 171 CO -0.07 0.47 0.19 1.96 -0.73 0.00 0.00 179.01 180.84 1llb h GLN 172 N 0.55 0.39 -0.16 1.92 4.20 -1.86 0.18 115.11 120.32 1llb h GLN 172 Ca 0.15 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 1llb h GLN 172 Cb 0.05 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1llb h GLN 172 CO -0.02 0.26 0.04 0.00 -0.67 0.00 0.00 178.83 178.43 1llb h ALA 173 N 1.20 0.21 -0.50 3.87 0.00 -0.83 -1.52 119.26 121.69 1llb h ALA 173 Ca 0.16 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1llb h ALA 173 Cb 0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1llb h ALA 173 CO -0.11 -0.15 0.27 1.98 0.00 0.00 0.00 179.25 181.25 1llb h MET 174 N 0.06 0.69 0.01 0.00 1.85 -0.57 -0.01 114.93 116.97 1llb h MET 174 Ca 0.05 -0.08 -0.00 0.00 -0.61 0.00 0.00 59.70 59.06 1llb h MET 174 Cb 0.27 -0.14 0.00 0.00 0.43 0.00 0.00 31.60 32.16 1llb h MET 174 CO 0.00 0.54 -0.01 1.96 -0.40 0.00 0.00 176.91 179.00 1llb h GLN 175 N 0.66 -0.02 0.00 0.39 4.20 -0.56 -1.10 115.11 118.68 1llb h GLN 175 Ca 0.18 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.78 1llb h GLN 175 Cb 0.05 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1llb h GLN 175 CO -0.03 0.16 -0.53 1.79 -0.67 0.00 0.00 178.83 179.55 1llb h THR 176 N -0.20 0.95 0.00 -0.54 1.35 -1.24 -0.12 112.91 113.11 1llb h THR 176 Ca -0.00 -2.22 0.00 0.00 -0.55 0.00 0.00 66.41 63.64 1llb h THR 176 Cb 0.19 2.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 1llb h THR 176 CO 0.00 0.52 -1.93 0.54 -0.25 0.00 0.00 175.52 174.40 1llb n ARG 177 N -3.29 0.62 0.07 4.72 1.74 -0.02 -4.46 116.66 116.04 1llb n ARG 177 Ca 0.01 -0.19 0.00 0.00 -0.77 0.00 0.00 57.85 56.91 1llb n ARG 177 Cb 0.72 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.65 1llb n ARG 177 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1llb n VAL 178 N -2.21 0.92 0.12 1.55 0.31 -0.52 -4.72 118.33 113.78 1llb n VAL 178 Ca -0.04 0.30 -0.13 0.00 -0.01 0.00 0.00 64.34 64.47 1llb n VAL 178 Cb 0.55 -1.32 -0.06 0.00 -0.91 0.00 0.00 33.84 32.09 1llb n VAL 178 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1llb h PHE 179 N 0.00 -0.36 -0.08 3.52 0.04 -1.29 -3.05 116.94 115.72 1llb h PHE 179 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1llb h PHE 179 Cb 0.01 0.14 -0.00 0.00 2.20 0.00 0.00 35.95 38.30 1llb h PHE 179 CO 0.00 -0.21 0.03 1.96 -0.60 0.00 0.00 178.31 179.48 1llb h GLN 180 N -0.31 0.13 -0.10 1.51 4.20 -1.26 0.61 115.11 119.88 1llb h GLN 180 Ca 0.00 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.71 1llb h GLN 180 Cb 0.29 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 1llb h GLN 180 CO -0.03 0.29 0.08 -1.35 -0.67 0.00 0.00 178.83 177.14 1llb h PRO 181 N -0.05 0.00 -0.15 1.46 0.11 -1.78 -0.01 132.00 131.58 1llb h PRO 181 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 1llb h PRO 181 Cb 0.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.32 1llb h PRO 181 CO -0.00 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.07 1llb n LEU 182 N -4.40 1.89 -3.70 2.35 4.77 -1.13 -4.94 117.00 111.84 1llb n LEU 182 Ca -0.01 -0.75 -0.24 0.00 -0.03 0.00 0.00 56.01 54.98 1llb n LEU 182 Cb 0.19 -0.09 0.05 0.00 -2.33 0.00 0.00 43.42 41.24 1llb n LEU 182 CO 0.33 0.38 0.12 0.29 -1.33 0.00 0.00 177.39 177.18 1llb n LYS 183 N 0.47 -6.35 -3.04 3.23 5.02 -0.02 -4.88 118.16 112.58 1llb n LYS 183 Ca 0.17 0.71 -0.44 0.00 -2.02 0.00 0.00 58.31 56.73 1llb n LYS 183 Cb 0.38 -5.61 -0.01 0.00 -0.02 0.00 0.00 35.03 29.77 1llb n LYS 183 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1llb s LEU 184 N -7.03 5.40 0.00 -0.35 1.43 0.14 -4.82 118.68 113.45 1llb s LEU 184 Ca 0.40 -2.88 0.29 0.00 -1.03 0.00 0.00 54.13 50.91 1llb s LEU 184 Cb -0.19 -2.35 1.54 0.00 0.03 0.00 0.00 46.19 45.22 1llb s LEU 184 CO 0.78 -0.72 2.03 0.59 0.23 0.00 0.00 176.35 179.26 1llb n ASN 185 N 5.20 0.00 -2.58 2.29 3.02 -1.26 -3.54 115.26 118.39 1llb n ASN 185 Ca 0.30 -0.33 -0.09 0.00 -0.03 0.00 0.00 54.58 54.44 1llb n ASN 185 Cb 0.44 -0.21 0.04 0.00 -0.61 0.00 0.00 39.78 39.43 1llb n ASN 185 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1llb n HIS 186 N -1.21 1.75 -4.82 3.10 8.25 -1.26 -5.04 115.22 115.99 1llb n HIS 186 Ca 0.16 -2.26 -0.29 0.00 -0.26 0.00 0.00 57.72 55.07 1llb n HIS 186 Cb 0.20 -0.27 -0.17 0.00 1.12 0.00 0.00 29.99 30.87 1llb n HIS 186 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1llb s THR 187 N -4.04 1.65 -0.01 1.59 2.01 -1.23 -3.56 115.64 112.05 1llb s THR 187 Ca 0.35 -0.77 -0.09 0.00 0.31 0.00 0.00 61.69 61.49 1llb s THR 187 Cb 0.36 -1.46 0.01 0.00 0.01 0.00 0.00 72.50 71.42 1llb s THR 187 CO -0.02 0.47 0.18 0.26 -0.69 0.00 0.00 174.62 174.82 1llb s TRP 188 N 0.61 -0.03 -0.07 4.92 0.52 -0.23 -5.00 118.94 119.65 1llb s TRP 188 Ca -0.14 0.03 -0.04 0.00 0.02 0.00 0.00 56.10 55.97 1llb s TRP 188 Cb -0.16 -0.01 -0.27 0.00 -1.15 0.00 0.00 33.47 31.88 1llb s TRP 188 CO 0.04 -0.28 0.55 0.82 0.02 0.00 0.00 176.95 178.10 1llb h ILE 189 N 4.28 0.80 -3.49 2.03 2.04 -1.85 0.89 117.51 122.21 1llb h ILE 189 Ca -0.30 -2.50 -0.64 0.00 1.00 0.00 0.00 64.86 62.43 1llb h ILE 189 Cb 1.19 2.59 -0.37 0.00 -0.74 0.00 0.00 36.82 39.49 1llb h ILE 189 CO 0.40 0.82 -0.81 0.20 0.00 0.00 0.00 178.15 178.76 1llb s ASN 190 N -6.96 3.63 -0.08 1.72 -0.87 -1.26 -4.77 114.94 106.35 1llb s ASN 190 Ca -0.16 -0.99 -0.30 0.00 -1.57 0.00 0.00 52.86 49.84 1llb s ASN 190 Cb 0.07 -1.34 -0.05 0.00 -0.02 0.00 0.00 41.25 39.91 1llb s ASN 190 CO 0.81 -0.14 1.63 -0.69 -2.57 0.00 0.00 177.10 176.14 1llb s VAL 191 N 1.31 3.64 0.76 1.60 1.01 -1.26 -5.00 120.40 122.46 1llb s VAL 191 Ca -0.02 0.76 -0.11 0.00 0.00 0.00 0.00 61.98 62.61 1llb s VAL 191 Cb -0.17 -3.51 0.04 0.00 0.00 0.00 0.00 36.38 32.74 1llb s VAL 191 CO -0.08 -0.09 1.09 -2.16 0.00 0.00 0.00 175.10 173.86 1llb s PRO 192 N 4.09 2.43 0.28 2.72 0.04 -1.26 -4.89 135.00 138.41 1llb s PRO 192 Ca 0.72 0.64 0.01 0.00 0.04 0.00 0.00 61.00 62.42 1llb s PRO 192 Cb -0.32 -1.96 0.61 0.00 0.04 0.00 0.00 34.50 32.87 1llb s PRO 192 CO 0.28 -1.38 1.76 -1.35 0.04 0.00 0.00 177.00 176.36 1llb h PRO 193 N -0.91 0.62 0.00 0.56 0.11 -2.02 -1.28 132.00 129.08 1llb h PRO 193 Ca -0.46 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 1llb h PRO 193 Cb 1.25 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1llb h PRO 193 CO 0.60 0.41 -0.00 0.00 -0.21 0.00 0.00 178.00 178.80 1llb h ALA 194 N 1.60 1.40 -0.02 -0.75 0.00 -2.03 -2.17 119.26 117.30 1llb h ALA 194 Ca 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1llb h ALA 194 Cb 0.76 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1llb h ALA 194 CO -0.38 0.00 -0.38 0.39 0.00 0.00 0.00 179.25 178.88 1llb n GLU 195 N -3.67 1.42 -0.17 0.00 -0.58 -0.50 -4.49 120.64 112.65 1llb n GLU 195 Ca -0.03 -1.17 0.14 0.00 -0.42 0.00 0.00 57.16 55.68 1llb n GLU 195 Cb 0.08 -1.48 0.48 0.00 -0.57 0.00 0.00 31.44 29.95 1llb n GLU 195 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1llb h GLU 196 N 2.85 0.46 0.00 3.49 5.08 -1.24 -0.32 114.58 124.90 1llb h GLU 196 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1llb h GLU 196 Cb 0.80 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1llb h GLU 196 CO 0.00 0.30 0.00 1.57 -1.00 0.00 0.00 179.01 179.88 1llb h LYS 197 N 0.47 0.00 -0.01 2.33 2.10 -1.79 -2.34 116.57 117.33 1llb h LYS 197 Ca 0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.02 1llb h LYS 197 Cb 0.76 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.09 1llb h LYS 197 CO -0.12 0.00 -0.69 0.09 -2.00 0.00 0.00 179.45 176.72 1llb n ASN 198 N -2.91 1.36 -4.59 7.07 5.03 -0.18 -4.91 115.26 116.12 1llb n ASN 198 Ca 0.00 -1.18 -0.42 0.00 0.87 0.00 0.00 54.58 53.85 1llb n ASN 198 Cb 0.24 0.76 -0.02 0.00 -1.02 0.00 0.00 39.78 39.74 1llb n ASN 198 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1llb s TYR 199 N -2.57 2.44 0.77 3.10 6.04 -0.87 -0.89 117.35 125.36 1llb s TYR 199 Ca 0.12 0.59 -0.14 0.00 0.04 0.00 0.00 57.07 57.67 1llb s TYR 199 Cb 0.15 -4.38 0.06 0.00 -1.04 0.00 0.00 41.96 36.75 1llb s TYR 199 CO 0.67 -1.83 1.20 0.00 -1.54 0.00 0.00 175.55 174.04 1llb s ALA 200 N 5.48 1.99 0.11 3.97 0.00 -0.46 -4.93 121.76 127.92 1llb s ALA 200 Ca 0.54 0.82 -0.09 0.00 0.00 0.00 0.00 51.96 53.23 1llb s ALA 200 Cb -0.11 -3.47 -0.06 0.00 0.00 0.00 0.00 23.12 19.48 1llb s ALA 200 CO 0.29 -2.07 0.41 -1.58 0.00 0.00 0.00 175.76 172.82 1llb s TRP 201 N -2.12 3.55 0.31 0.00 0.52 -0.21 -4.93 118.94 116.06 1llb s TRP 201 Ca 0.73 0.76 -0.03 0.00 0.02 0.00 0.00 56.10 57.58 1llb s TRP 201 Cb -0.28 -2.15 -0.04 0.00 -1.15 0.00 0.00 33.47 29.85 1llb s TRP 201 CO 0.48 0.48 0.56 0.20 0.02 0.00 0.00 176.95 178.69 1llb s GLY 202 N -1.93 1.69 -0.09 0.98 0.00 -0.06 -4.81 107.32 103.09 1llb s GLY 202 Ca 0.36 -0.67 0.02 0.00 0.00 0.00 0.00 44.72 44.43 1llb s GLY 202 CO 0.19 -0.57 -0.13 -0.19 0.00 0.00 0.00 173.10 172.40 1llb s TYR 203 N -2.17 1.72 -0.08 1.90 1.51 -0.31 -0.42 117.35 119.49 1llb s TYR 203 Ca 0.43 -0.74 -0.01 0.00 -1.01 0.00 0.00 57.07 55.73 1llb s TYR 203 Cb -0.10 -1.26 0.03 0.00 -0.11 0.00 0.00 41.96 40.52 1llb s TYR 203 CO 0.32 -0.39 -0.00 0.50 -1.11 0.00 0.00 175.55 174.87 1llb s ARG 204 N 0.91 0.67 -1.46 -0.62 3.52 -0.69 -4.43 118.95 116.86 1llb s ARG 204 Ca -0.09 0.06 -0.11 0.00 -0.13 0.00 0.00 55.73 55.46 1llb s ARG 204 Cb -0.15 -1.07 0.05 0.00 -1.56 0.00 0.00 34.95 32.22 1llb s ARG 204 CO 0.00 -0.32 1.03 0.39 -0.81 0.00 0.00 175.30 175.60 1llb n GLU 205 N 5.13 -6.47 -0.76 5.12 -0.58 -1.26 -0.75 120.64 121.07 1llb n GLU 205 Ca -0.07 0.71 0.00 0.00 -0.42 0.00 0.00 57.16 57.38 1llb n GLU 205 Cb 0.50 -5.67 0.00 0.00 -0.57 0.00 0.00 31.44 25.70 1llb n GLU 205 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1llb n GLY 206 N -1.80 0.35 3.83 0.62 0.00 -1.26 -4.97 105.19 101.95 1llb n GLY 206 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 1llb n GLY 206 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1llb s LYS 207 N -0.74 3.74 -0.06 1.61 1.02 0.07 -5.06 119.74 120.33 1llb s LYS 207 Ca 0.00 -0.01 -0.30 0.00 0.02 0.00 0.00 55.97 55.68 1llb s LYS 207 Cb 0.00 -3.26 -0.03 0.00 -0.52 0.00 0.00 37.83 34.02 1llb s LYS 207 CO 0.00 0.63 1.17 0.00 -0.92 0.00 0.00 175.35 176.23 1llb s ALA 208 N -0.66 3.48 0.06 5.17 0.00 -1.26 -1.70 121.76 126.85 1llb s ALA 208 Ca 0.16 0.59 -0.04 0.00 0.00 0.00 0.00 51.96 52.67 1llb s ALA 208 Cb -0.13 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.47 1llb s ALA 208 CO 0.05 -0.73 0.05 0.14 0.00 0.00 0.00 175.76 175.27 1llb s VAL 209 N 2.16 0.18 0.11 0.00 -7.23 0.45 -4.93 120.40 111.13 1llb s VAL 209 Ca 0.55 -1.47 0.07 0.00 -1.81 0.00 0.00 61.98 59.32 1llb s VAL 209 Cb -0.24 -1.29 -0.04 0.00 0.56 0.00 0.00 36.38 35.37 1llb s VAL 209 CO 0.22 -0.81 -0.17 -1.00 -0.31 0.00 0.00 175.10 173.03 1llb s HIS 210 N -3.54 1.54 0.37 2.82 3.76 -1.26 -0.88 115.29 118.09 1llb s HIS 210 Ca 0.03 -0.48 -0.28 0.00 -0.15 0.00 0.00 55.06 54.19 1llb s HIS 210 Cb 0.05 -0.82 -0.11 0.00 1.11 0.00 0.00 32.58 32.80 1llb s HIS 210 CO -0.09 0.17 1.37 1.55 -0.85 0.00 0.00 174.74 176.90 1llb n VAL 211 N 0.82 2.08 -3.25 -0.90 3.14 -1.26 -4.99 118.33 113.97 1llb n VAL 211 Ca -0.18 -0.50 -0.31 0.00 -2.96 0.00 0.00 64.34 60.39 1llb n VAL 211 Cb 0.55 -1.74 -0.05 0.00 -1.06 0.00 0.00 33.84 31.54 1llb n VAL 211 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1llb s SER 212 N -0.26 6.63 0.62 6.55 0.01 -1.26 -5.05 113.70 120.94 1llb s SER 212 Ca 0.55 1.03 -0.18 0.00 1.31 0.00 0.00 55.95 58.66 1llb s SER 212 Cb -0.52 -2.27 -0.02 0.00 0.21 0.00 0.00 66.02 63.41 1llb s SER 212 CO 0.62 -0.17 1.23 -2.16 0.41 0.00 0.00 173.24 173.17 1llb s PRO 213 N -3.09 2.81 0.15 12.44 0.04 -1.26 -5.03 135.00 141.07 1llb s PRO 213 Ca 0.49 1.87 -0.23 0.00 0.04 0.00 0.00 61.00 63.18 1llb s PRO 213 Cb -0.11 -1.90 0.07 0.00 0.04 0.00 0.00 34.50 32.60 1llb s PRO 213 CO 0.22 -1.34 0.61 0.20 0.04 0.00 0.00 177.00 176.73 1llb s GLY 214 N -1.59 -0.61 0.30 0.56 0.00 -1.26 -5.08 107.32 99.64 1llb s GLY 214 Ca 0.78 0.51 -0.29 0.00 0.00 0.00 0.00 44.72 45.72 1llb s GLY 214 CO 0.36 0.17 1.41 0.00 0.00 0.00 0.00 173.10 175.03 1llb s ALA 215 N -3.73 3.58 -1.82 3.20 0.00 -1.26 -2.10 121.76 119.62 1llb s ALA 215 Ca 0.01 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.33 1llb s ALA 215 Cb -0.01 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1llb s ALA 215 CO -0.13 -0.77 0.00 1.28 0.00 0.00 0.00 175.76 176.14 1llb n LEU 216 N 1.50 -1.69 -0.09 0.00 4.77 -1.26 -4.87 117.00 115.36 1llb n LEU 216 Ca 0.04 0.18 -0.11 0.00 -0.03 0.00 0.00 56.01 56.08 1llb n LEU 216 Cb 0.40 -2.79 -0.04 0.00 -2.33 0.00 0.00 43.42 38.66 1llb n LEU 216 CO 0.61 -0.50 0.76 -2.24 -1.33 0.00 0.00 177.39 174.69 1llb h ASP 217 N 0.00 0.47 -0.70 -1.43 3.04 -1.84 -2.13 116.42 113.84 1llb h ASP 217 Ca -0.44 -0.31 0.07 0.00 -3.24 0.00 0.00 57.03 53.10 1llb h ASP 217 Cb 1.32 -0.13 -0.06 0.00 -1.04 0.00 0.00 39.33 39.43 1llb h ASP 217 CO 0.56 0.67 0.39 0.00 -2.04 0.00 0.00 179.24 178.82 1llb h ALA 218 N 0.82 0.95 -0.04 4.15 0.00 -1.89 0.24 119.26 123.48 1llb h ALA 218 Ca 0.08 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1llb h ALA 218 Cb 0.43 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1llb h ALA 218 CO 0.01 0.05 -0.53 0.93 0.00 0.00 0.00 179.25 179.72 1llb h GLU 219 N 0.70 0.12 0.00 0.00 3.07 -1.86 -3.28 114.58 113.33 1llb h GLU 219 Ca 0.32 -0.07 -0.29 0.00 -0.50 0.00 0.00 59.36 58.81 1llb h GLU 219 Cb 0.22 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.08 1llb h GLU 219 CO -0.20 0.62 -2.09 0.00 -1.40 0.00 0.00 179.01 175.94 1llb n ALA 220 N -2.46 1.61 -1.95 3.43 0.00 -0.81 -4.53 120.51 115.81 1llb n ALA 220 Ca -0.02 -1.05 -0.01 0.00 0.00 0.00 0.00 53.44 52.36 1llb n ALA 220 Cb 0.55 -0.08 -0.01 0.00 0.00 0.00 0.00 19.45 19.90 1llb n ALA 220 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1llb n TYR 221 N -2.61 0.00 -0.22 0.00 0.18 0.00 -4.10 117.16 110.41 1llb n TYR 221 Ca -0.26 -0.10 0.11 0.00 1.88 0.00 0.00 57.90 59.52 1llb n TYR 221 Cb 1.01 0.30 0.31 0.00 -0.38 0.00 0.00 39.34 40.58 1llb n TYR 221 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1llb n GLY 222 N 0.00 2.27 3.82 -7.48 0.00 0.62 -3.59 105.19 100.82 1llb n GLY 222 Ca -0.06 -0.75 -0.38 0.00 0.00 0.00 0.00 46.02 44.83 1llb n GLY 222 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1llb s VAL 223 N -1.11 4.75 -0.04 1.61 1.01 -1.26 -4.49 120.40 120.88 1llb s VAL 223 Ca 0.47 1.15 0.07 0.00 0.00 0.00 0.00 61.98 63.66 1llb s VAL 223 Cb 0.25 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 1llb s VAL 223 CO 0.31 0.48 -0.24 -0.54 0.00 0.00 0.00 175.10 175.11 1llb s LYS 224 N -1.30 2.32 0.24 2.72 3.01 0.31 -0.83 119.74 126.20 1llb s LYS 224 Ca 0.31 -0.89 -0.14 0.00 -1.01 0.00 0.00 55.97 54.24 1llb s LYS 224 Cb -0.19 -2.13 0.00 0.00 -1.01 0.00 0.00 37.83 34.51 1llb s LYS 224 CO 0.19 0.50 0.50 0.45 0.51 0.00 0.00 175.35 177.51 1llb s SER 225 N -0.46 -0.13 0.38 2.83 0.15 -0.46 -1.07 113.70 114.94 1llb s SER 225 Ca 0.05 -0.81 0.03 0.00 0.70 0.00 0.00 55.95 55.93 1llb s SER 225 Cb -0.11 0.59 -0.01 0.00 -1.71 0.00 0.00 66.02 64.78 1llb s SER 225 CO 0.01 -1.13 0.56 0.42 1.20 0.00 0.00 173.24 174.29 1llb s THR 226 N -3.98 4.13 0.40 6.45 -4.23 -1.23 -0.58 115.64 116.60 1llb s THR 226 Ca 0.18 -0.75 0.16 0.00 -1.18 0.00 0.00 61.69 60.11 1llb s THR 226 Cb -0.01 -3.48 0.17 0.00 1.34 0.00 0.00 72.50 70.52 1llb s THR 226 CO 0.06 -0.26 1.93 -0.29 -0.54 0.00 0.00 174.62 175.52 1llb h ILE 227 N 0.68 1.06 -0.06 2.99 6.09 -1.74 -0.22 117.51 126.31 1llb h ILE 227 Ca -0.46 -0.92 -0.09 0.00 -1.37 0.00 0.00 64.86 62.02 1llb h ILE 227 Cb 1.25 1.51 0.00 0.00 0.47 0.00 0.00 36.82 40.06 1llb h ILE 227 CO 0.56 0.25 -0.30 -0.33 -3.07 0.00 0.00 178.15 175.26 1llb h GLU 228 N 0.00 0.31 -0.46 2.19 5.08 -1.94 -1.24 114.58 118.52 1llb h GLU 228 Ca -0.00 -0.25 -0.08 0.00 -1.00 0.00 0.00 59.36 58.03 1llb h GLU 228 Cb 0.49 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1llb h GLU 228 CO 0.03 0.90 -0.03 -0.44 -1.00 0.00 0.00 179.01 178.47 1llb h ASP 229 N -0.21 0.75 0.13 1.42 3.45 -1.83 -1.89 116.42 118.24 1llb h ASP 229 Ca -0.02 -0.19 -0.10 0.00 0.43 0.00 0.00 57.03 57.14 1llb h ASP 229 Cb 0.96 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.51 1llb h ASP 229 CO 0.06 0.84 -0.36 0.24 -1.57 0.00 0.00 179.24 178.45 1llb h MET 230 N 0.72 0.32 -0.77 3.56 2.86 -1.02 0.20 114.93 120.80 1llb h MET 230 Ca 0.14 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1llb h MET 230 Cb 0.49 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.10 1llb h MET 230 CO 0.02 0.64 0.37 0.00 1.06 0.00 0.00 176.91 179.01 1llb h ALA 231 N 1.35 0.99 -0.39 6.32 0.00 -0.72 -0.25 119.26 126.56 1llb h ALA 231 Ca 0.03 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1llb h ALA 231 Cb 0.77 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1llb h ALA 231 CO 0.06 0.55 -0.08 0.00 0.00 0.00 0.00 179.25 179.79 1llb h ARG 232 N 1.08 0.66 -0.38 0.00 3.08 -0.68 -1.01 114.38 117.14 1llb h ARG 232 Ca 0.26 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 1llb h ARG 232 Cb 0.11 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1llb h ARG 232 CO -0.03 0.73 0.16 2.35 -1.07 0.00 0.00 179.97 182.11 1llb h TRP 233 N 0.61 0.58 -0.49 3.04 -0.00 -0.31 -0.30 115.95 119.07 1llb h TRP 233 Ca 0.11 -0.04 -0.03 0.00 -0.00 0.00 0.00 58.89 58.94 1llb h TRP 233 Cb 0.50 -0.17 -0.02 0.00 -0.00 0.00 0.00 29.16 29.46 1llb h TRP 233 CO 0.02 0.51 0.20 0.28 -0.00 0.00 0.00 178.44 179.46 1llb h VAL 234 N 0.48 1.21 -0.90 2.65 2.07 -0.76 -1.67 116.25 119.32 1llb h VAL 234 Ca 0.13 -0.64 0.04 0.00 0.82 0.00 0.00 66.70 67.05 1llb h VAL 234 Cb 0.17 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 1llb h VAL 234 CO -0.01 0.24 0.59 1.56 0.02 0.00 0.00 177.57 179.97 1llb h GLN 235 N 0.65 1.08 -0.33 1.57 4.20 -0.83 0.16 115.11 121.61 1llb h GLN 235 Ca 0.17 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.69 1llb h GLN 235 Cb 0.18 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1llb h GLN 235 CO -0.01 0.71 -0.30 0.77 -0.67 0.00 0.00 178.83 179.33 1llb h SER 236 N 1.11 0.72 1.58 1.46 0.02 -0.78 -1.37 113.55 116.28 1llb h SER 236 Ca 0.36 -0.28 -0.08 0.00 -0.84 0.00 0.00 61.79 60.95 1llb h SER 236 Cb 0.05 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1llb h SER 236 CO -0.11 0.97 -0.43 0.78 -1.14 0.00 0.00 176.83 176.90 1llb h ASN 237 N 0.59 0.00 -0.17 3.07 2.35 -0.71 -2.81 115.58 117.91 1llb h ASN 237 Ca 0.07 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.60 1llb h ASN 237 Cb 0.80 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.18 1llb h ASN 237 CO 0.07 0.39 -0.75 -0.07 -1.65 0.00 0.00 177.43 175.41 1llb h LEU 238 N 0.00 0.95 -6.16 1.61 3.38 -0.51 -3.40 115.31 111.18 1llb h LEU 238 Ca -0.01 -0.61 -0.58 0.00 0.09 0.00 0.00 57.88 56.78 1llb h LEU 238 Cb 1.30 -0.28 -0.40 0.00 0.09 0.00 0.00 40.66 41.38 1llb h LEU 238 CO 0.05 1.41 -0.95 1.17 0.09 0.00 0.00 178.44 180.21 1llb n LYS 239 N -3.94 1.05 0.31 1.13 4.81 -0.53 -4.79 118.16 116.19 1llb n LYS 239 Ca -0.07 -3.58 0.19 0.00 -0.87 0.00 0.00 58.31 53.98 1llb n LYS 239 Cb 0.73 -1.56 0.96 0.00 0.02 0.00 0.00 35.03 35.18 1llb n LYS 239 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1llb h PRO 240 N 4.39 0.00 0.00 1.64 0.13 -1.71 -2.57 132.00 133.89 1llb h PRO 240 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1llb h PRO 240 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1llb h PRO 240 CO 0.54 0.02 0.00 1.28 -0.23 0.00 0.00 178.00 179.61 1llb n LEU 241 N -3.22 0.57 -0.05 1.56 4.77 -1.26 -1.87 117.00 117.50 1llb n LEU 241 Ca -0.02 0.63 0.14 0.00 -0.03 0.00 0.00 56.01 56.73 1llb n LEU 241 Cb 0.17 -0.54 0.59 0.00 -2.33 0.00 0.00 43.42 41.31 1llb n LEU 241 CO 0.24 -0.47 0.86 0.47 -1.33 0.00 0.00 177.39 177.17 1llb n ASP 242 N -2.12 0.27 -4.66 -1.43 10.43 -0.97 -4.79 116.55 113.28 1llb n ASP 242 Ca 0.03 -0.18 -0.41 0.00 2.57 0.00 0.00 54.79 56.80 1llb n ASP 242 Cb 0.24 -0.17 -0.04 0.00 1.84 0.00 0.00 41.12 42.99 1llb n ASP 242 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1llb s ILE 243 N -2.70 4.87 0.15 0.53 1.01 -0.78 -4.96 121.20 119.32 1llb s ILE 243 Ca 0.22 1.63 -0.11 0.00 0.00 0.00 0.00 60.65 62.39 1llb s ILE 243 Cb 0.19 -4.14 0.01 0.00 0.01 0.00 0.00 42.46 38.54 1llb s ILE 243 CO 0.52 0.00 1.57 0.78 0.00 0.00 0.00 174.94 177.81 1llb h ASN 244 N 7.40 0.95 -2.49 3.58 2.35 -1.88 -3.42 115.58 122.07 1llb h ASN 244 Ca -0.28 -0.36 -0.58 0.00 -0.55 0.00 0.00 56.30 54.54 1llb h ASN 244 Cb 1.12 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 39.21 1llb h ASN 244 CO 0.85 1.09 1.32 -1.61 -1.65 0.00 0.00 177.43 177.42 1llb s GLU 245 N -4.82 3.36 0.18 0.81 8.01 -1.26 -4.89 118.70 120.10 1llb s GLU 245 Ca -0.12 1.66 -0.13 0.00 0.01 0.00 0.00 54.97 56.39 1llb s GLU 245 Cb 0.12 -4.22 0.18 0.00 -4.31 0.00 0.00 34.13 25.89 1llb s GLU 245 CO 0.85 -1.82 1.70 0.87 0.01 0.00 0.00 175.26 176.87 1llb h LYS 246 N 13.13 0.18 0.00 1.61 1.57 -2.00 -1.19 116.57 129.86 1llb h LYS 246 Ca -0.36 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.32 1llb h LYS 246 Cb 1.19 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 1llb h LYS 246 CO 1.00 0.12 -0.40 1.79 -0.57 0.00 0.00 179.45 181.39 1llb h THR 247 N 0.18 0.98 0.00 -0.16 1.35 -1.91 -1.57 112.91 111.78 1llb h THR 247 Ca 0.24 -1.53 -0.26 0.00 -0.55 0.00 0.00 66.41 64.31 1llb h THR 247 Cb 0.34 1.91 0.02 0.00 -1.73 0.00 0.00 68.15 68.69 1llb h THR 247 CO -0.35 0.39 -1.03 0.25 -0.25 0.00 0.00 175.52 174.52 1llb h LEU 248 N 0.00 0.91 -0.41 3.87 5.85 -1.77 0.82 115.31 124.58 1llb h LEU 248 Ca -0.00 -0.74 0.04 0.00 0.84 0.00 0.00 57.88 58.02 1llb h LEU 248 Cb 0.87 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 1llb h LEU 248 CO 0.05 1.53 0.17 -0.61 -0.34 0.00 0.00 178.44 179.24 1llb h GLN 249 N 0.38 0.35 -0.48 1.25 4.15 -1.10 -0.07 115.11 119.59 1llb h GLN 249 Ca -0.13 -0.02 -0.10 0.00 0.77 0.00 0.00 58.65 59.17 1llb h GLN 249 Cb 1.69 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 29.28 1llb h GLN 249 CO 0.20 0.23 -0.09 1.96 -1.93 0.00 0.00 178.83 179.20 1llb h GLN 250 N 0.36 0.88 -0.76 1.69 4.20 -1.22 -2.64 115.11 117.62 1llb h GLN 250 Ca 0.18 -0.29 -0.05 0.00 0.06 0.00 0.00 58.65 58.54 1llb h GLN 250 Cb 0.13 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 1llb h GLN 250 CO -0.16 0.93 0.27 0.78 -0.67 0.00 0.00 178.83 179.98 1llb h GLY 251 N 0.97 1.24 1.01 3.46 0.00 -0.16 0.77 103.07 110.36 1llb h GLY 251 Ca 0.13 -0.70 -0.07 0.00 0.00 0.00 0.00 47.33 46.70 1llb h GLY 251 CO 0.04 0.66 0.10 -2.22 0.00 0.00 0.00 176.54 175.11 1llb h ILE 252 N 1.11 1.25 -0.62 2.60 2.04 -0.93 -1.52 117.51 121.45 1llb h ILE 252 Ca 0.25 -0.96 -0.02 0.00 1.00 0.00 0.00 64.86 65.12 1llb h ILE 252 Cb 0.26 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1llb h ILE 252 CO -0.01 0.35 0.30 1.56 0.00 0.00 0.00 178.15 180.34 1llb h GLN 253 N 0.82 0.89 -0.17 2.37 4.20 -1.04 -2.66 115.11 119.51 1llb h GLN 253 Ca 0.17 -0.13 -0.06 0.00 0.06 0.00 0.00 58.65 58.69 1llb h GLN 253 Cb 0.41 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1llb h GLN 253 CO 0.01 0.71 -0.14 -0.07 -0.67 0.00 0.00 178.83 178.67 1llb h LEU 254 N 0.84 0.27 -1.36 1.46 3.38 -0.61 -2.26 115.31 117.04 1llb h LEU 254 Ca 0.21 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1llb h LEU 254 Cb 0.12 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1llb h LEU 254 CO -0.03 0.44 0.00 0.00 0.09 0.00 0.00 178.44 178.94 1llb h ALA 255 N 1.59 1.00 -0.53 1.53 0.00 -0.92 -2.39 119.26 119.54 1llb h ALA 255 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1llb h ALA 255 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1llb h ALA 255 CO 0.03 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.32 1llb n GLN 256 N -2.90 2.60 -2.09 0.00 6.02 -0.87 -0.81 117.38 119.33 1llb n GLN 256 Ca 0.01 -2.38 -0.34 0.00 -0.01 0.00 0.00 57.00 54.28 1llb n GLN 256 Cb 0.28 -1.48 0.01 0.00 1.02 0.00 0.00 30.24 30.07 1llb n GLN 256 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1llb s SER 257 N -1.14 5.59 -0.43 1.08 0.01 -0.90 -3.85 113.70 114.06 1llb s SER 257 Ca 0.40 2.04 -0.16 0.00 1.31 0.00 0.00 55.95 59.53 1llb s SER 257 Cb 0.22 -2.56 0.03 0.00 0.21 0.00 0.00 66.02 63.91 1llb s SER 257 CO 0.29 -1.30 0.40 -0.13 0.41 0.00 0.00 173.24 172.90 1llb s ARG 258 N -3.66 3.04 -0.14 12.44 0.52 -0.08 -4.11 118.95 126.96 1llb s ARG 258 Ca 0.69 -0.93 0.10 0.00 -0.52 0.00 0.00 55.73 55.08 1llb s ARG 258 Cb -0.21 -4.00 -0.23 0.00 0.52 0.00 0.00 34.95 31.03 1llb s ARG 258 CO 0.32 -0.86 0.28 0.66 0.02 0.00 0.00 175.30 175.73 1llb n TYR 259 N 5.44 0.54 -3.94 -0.53 4.01 -0.77 -2.19 117.16 119.71 1llb n TYR 259 Ca -0.09 0.17 -0.09 0.00 -0.16 0.00 0.00 57.90 57.72 1llb n TYR 259 Cb 0.47 -1.09 -0.10 0.00 -0.31 0.00 0.00 39.34 38.31 1llb n TYR 259 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1llb s TRP 260 N -2.54 0.20 -0.04 -0.72 0.52 -1.25 -2.15 118.94 112.97 1llb s TRP 260 Ca -0.13 -0.48 0.05 0.00 0.02 0.00 0.00 56.10 55.56 1llb s TRP 260 Cb 0.07 -0.15 -0.01 0.00 -1.15 0.00 0.00 33.47 32.24 1llb s TRP 260 CO 0.79 -0.33 -0.19 -1.14 0.02 0.00 0.00 176.95 176.11 1llb s GLN 261 N -2.30 1.79 -0.10 4.98 0.74 -0.63 -1.16 119.66 122.98 1llb s GLN 261 Ca -0.08 -0.66 -0.02 0.00 0.05 0.00 0.00 55.36 54.65 1llb s GLN 261 Cb -0.03 -1.60 0.04 0.00 1.10 0.00 0.00 33.01 32.52 1llb s GLN 261 CO -0.03 0.31 0.04 -0.08 -0.55 0.00 0.00 175.29 174.97 1llb s THR 262 N -0.13 0.21 0.00 -0.34 -1.32 -0.39 -1.58 115.64 112.09 1llb s THR 262 Ca -0.00 0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.50 1llb s THR 262 Cb -0.10 -0.54 0.00 0.00 -1.51 0.00 0.00 72.50 70.34 1llb s THR 262 CO 0.01 0.07 0.00 0.61 -2.21 0.00 0.00 174.62 173.10 1llb n GLY 263 N 5.19 2.93 1.24 6.08 0.00 -1.26 -1.44 105.19 117.93 1llb n GLY 263 Ca -0.06 -0.27 0.11 0.00 0.00 0.00 0.00 46.02 45.80 1llb n GLY 263 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1llb n ASP 264 N 4.37 3.61 -4.69 1.61 5.75 -1.26 -4.94 116.55 121.01 1llb n ASP 264 Ca 0.00 -2.00 -0.29 0.00 -0.01 0.00 0.00 54.79 52.49 1llb n ASP 264 Cb 0.00 -0.45 -0.08 0.00 -1.03 0.00 0.00 41.12 39.56 1llb n ASP 264 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1llb s MET 265 N -1.10 2.53 -0.05 0.11 0.23 -0.52 -4.47 119.30 116.02 1llb s MET 265 Ca 0.45 -0.92 0.06 0.00 -1.03 0.00 0.00 55.69 54.25 1llb s MET 265 Cb 0.23 -2.49 -0.01 0.00 -1.53 0.00 0.00 34.83 31.03 1llb s MET 265 CO 0.31 0.51 -0.24 0.71 -2.03 0.00 0.00 175.02 174.28 1llb s TYR 266 N -1.47 2.30 -0.22 3.16 1.51 0.98 -1.26 117.35 122.35 1llb s TYR 266 Ca 0.27 -0.65 -0.18 0.00 -1.01 0.00 0.00 57.07 55.49 1llb s TYR 266 Cb -0.11 -1.51 -0.03 0.00 -0.11 0.00 0.00 41.96 40.20 1llb s TYR 266 CO 0.19 -0.18 0.53 -1.14 -1.11 0.00 0.00 175.55 173.83 1llb s GLN 267 N -0.20 4.16 0.00 -0.62 2.00 -0.31 -0.87 119.66 123.83 1llb s GLN 267 Ca -0.02 0.40 0.00 0.00 -2.00 0.00 0.00 55.36 53.75 1llb s GLN 267 Cb -0.13 -3.59 0.00 0.00 0.80 0.00 0.00 33.01 30.10 1llb s GLN 267 CO 0.03 -0.21 0.00 0.41 -0.50 0.00 0.00 175.29 175.02 1llb n GLY 268 N 4.01 2.68 3.37 2.59 0.00 -0.07 -1.86 105.19 115.91 1llb n GLY 268 Ca -0.04 -1.95 -0.45 0.00 0.00 0.00 0.00 46.02 43.58 1llb n GLY 268 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1llb s LEU 269 N 0.00 5.73 0.00 0.99 1.43 0.01 -4.59 118.68 122.25 1llb s LEU 269 Ca 0.00 -1.44 0.00 0.00 -1.03 0.00 0.00 54.13 51.66 1llb s LEU 269 Cb 0.00 -2.22 0.00 0.00 0.03 0.00 0.00 46.19 44.00 1llb s LEU 269 CO 0.00 -0.76 0.00 0.61 0.23 0.00 0.00 176.35 176.43 1llb n GLY 270 N 5.22 1.91 3.76 -3.19 0.00 -1.26 -4.27 105.19 107.36 1llb n GLY 270 Ca -0.12 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 1llb n GLY 270 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1llb s TRP 271 N 0.00 2.50 0.07 1.61 0.52 -1.26 -4.66 118.94 117.72 1llb s TRP 271 Ca 0.00 1.55 0.10 0.00 0.02 0.00 0.00 56.10 57.77 1llb s TRP 271 Cb 0.00 -3.31 -0.03 0.00 -1.15 0.00 0.00 33.47 28.98 1llb s TRP 271 CO 0.00 -1.90 -0.26 -1.21 0.02 0.00 0.00 176.95 173.59 1llb s GLU 272 N -3.68 1.63 0.04 4.98 2.02 -0.99 -0.89 118.70 121.80 1llb s GLU 272 Ca 0.72 -1.18 0.00 0.00 0.02 0.00 0.00 54.97 54.53 1llb s GLU 272 Cb -0.25 -1.92 -0.03 0.00 0.10 0.00 0.00 34.13 32.04 1llb s GLU 272 CO 0.36 0.48 -0.04 -1.64 0.02 0.00 0.00 175.26 174.44 1llb s MET 273 N -1.52 0.47 0.05 1.61 -1.94 -0.05 -1.02 119.30 116.90 1llb s MET 273 Ca 0.12 -0.84 0.01 0.00 -1.71 0.00 0.00 55.69 53.27 1llb s MET 273 Cb -0.10 0.01 -0.03 0.00 2.01 0.00 0.00 34.83 36.72 1llb s MET 273 CO 0.03 -0.04 -0.05 -0.51 -0.01 0.00 0.00 175.02 174.45 1llb s LEU 274 N -1.93 2.33 0.42 -0.03 1.02 -0.20 -0.01 118.68 120.28 1llb s LEU 274 Ca -0.07 -0.69 -0.25 0.00 0.02 0.00 0.00 54.13 53.14 1llb s LEU 274 Cb -0.05 0.00 -0.08 0.00 0.02 0.00 0.00 46.19 46.08 1llb s LEU 274 CO -0.03 -0.35 1.20 -1.81 0.02 0.00 0.00 176.35 175.38 1llb s ASP 275 N -2.02 6.38 -0.08 2.29 -0.00 -1.26 -0.00 116.67 121.98 1llb s ASP 275 Ca -0.05 2.40 -0.02 0.00 -0.00 0.00 0.00 52.55 54.87 1llb s ASP 275 Cb -0.04 -2.62 -0.03 0.00 -0.00 0.00 0.00 42.92 40.23 1llb s ASP 275 CO -0.03 -0.78 0.02 0.86 -0.00 0.00 0.00 175.17 175.25 1llb s TRP 276 N -1.41 3.22 0.55 4.23 -0.11 -0.48 -3.41 118.94 121.53 1llb s TRP 276 Ca 0.59 0.23 -0.20 0.00 1.22 0.00 0.00 56.10 57.94 1llb s TRP 276 Cb -0.32 -1.80 -0.05 0.00 -1.50 0.00 0.00 33.47 29.80 1llb s TRP 276 CO 0.40 0.51 1.16 -1.25 -4.62 0.00 0.00 176.95 173.14 1llb s PRO 277 N -0.98 3.27 0.28 5.86 0.04 -1.26 -4.76 135.00 137.45 1llb s PRO 277 Ca 0.14 1.70 0.08 0.00 0.04 0.00 0.00 61.00 62.96 1llb s PRO 277 Cb -0.11 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 1llb s PRO 277 CO 0.03 -0.94 0.11 0.54 0.04 0.00 0.00 177.00 176.79 1llb s VAL 278 N -1.69 3.74 -0.39 -0.36 0.11 -1.22 -5.08 120.40 115.51 1llb s VAL 278 Ca 0.73 -1.65 -0.24 0.00 -2.93 0.00 0.00 61.98 57.89 1llb s VAL 278 Cb -0.26 -3.09 0.02 0.00 -1.53 0.00 0.00 36.38 31.51 1llb s VAL 278 CO 0.30 -0.32 0.85 0.21 -3.33 0.00 0.00 175.10 172.81 1llb s ASN 279 N -3.79 6.57 0.25 3.54 3.84 -1.26 -4.94 114.94 119.15 1llb s ASN 279 Ca 0.34 0.34 -0.04 0.00 0.21 0.00 0.00 52.86 53.71 1llb s ASN 279 Cb -0.06 -2.42 0.46 0.00 -0.55 0.00 0.00 41.25 38.67 1llb s ASN 279 CO 0.23 -0.84 1.74 -0.65 -2.79 0.00 0.00 177.10 174.79 1llb h PRO 280 N 8.63 0.48 -0.19 0.43 0.11 -2.00 -0.32 132.00 139.13 1llb h PRO 280 Ca -0.24 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.87 1llb h PRO 280 Cb 1.09 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 1llb h PRO 280 CO 0.96 0.32 0.13 -0.44 -0.21 0.00 0.00 178.00 178.76 1llb h ASP 281 N 0.49 0.10 -0.10 -2.05 3.32 -1.98 0.69 116.42 116.89 1llb h ASP 281 Ca 0.42 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.44 1llb h ASP 281 Cb 0.61 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.13 1llb h ASP 281 CO -0.38 0.07 -0.04 -1.28 -1.72 0.00 0.00 179.24 175.88 1llb h SER 282 N 0.11 0.21 0.67 6.45 0.87 -1.46 0.12 113.55 120.53 1llb h SER 282 Ca 0.08 -0.40 -0.17 0.00 -1.23 0.00 0.00 61.79 60.07 1llb h SER 282 Cb 0.20 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 1llb h SER 282 CO -0.01 0.57 -0.80 0.16 -0.53 0.00 0.00 176.83 176.22 1llb h ILE 283 N -0.14 1.52 0.20 2.23 3.07 -1.34 0.54 117.51 123.59 1llb h ILE 283 Ca 0.02 -2.58 -0.01 0.00 1.55 0.00 0.00 64.86 63.84 1llb h ILE 283 Cb 0.48 2.41 0.00 0.00 -0.27 0.00 0.00 36.82 39.44 1llb h ILE 283 CO 0.01 0.74 -0.09 0.40 -1.05 0.00 0.00 178.15 178.16 1llb h ILE 284 N 0.05 0.86 -0.52 0.16 2.04 -0.86 -2.67 117.51 116.57 1llb h ILE 284 Ca -0.02 -0.91 -0.10 0.00 1.00 0.00 0.00 64.86 64.83 1llb h ILE 284 Cb 1.39 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 38.80 1llb h ILE 284 CO 0.11 0.19 -0.09 0.78 0.00 0.00 0.00 178.15 179.14 1llb h ASN 285 N -0.76 0.95 0.36 1.72 -0.26 -0.84 -2.82 115.58 113.93 1llb h ASN 285 Ca -0.03 -0.29 0.00 0.00 -0.56 0.00 0.00 56.30 55.42 1llb h ASN 285 Cb 0.51 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 37.51 1llb h ASN 285 CO 0.04 1.05 0.00 0.61 -1.06 0.00 0.00 177.43 178.08 1llb n GLY 286 N -0.36 -1.08 0.07 2.83 0.00 0.18 -1.72 105.19 105.11 1llb n GLY 286 Ca 0.02 0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.31 1llb n GLY 286 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1llb n SER 287 N -2.29 0.72 -4.76 1.61 3.41 -1.01 -3.31 113.62 108.00 1llb n SER 287 Ca 0.00 0.18 -0.41 0.00 -0.26 0.00 0.00 58.87 58.38 1llb n SER 287 Cb 0.13 0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.10 1llb n SER 287 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1llb s ASP 288 N -4.28 6.54 0.65 4.04 -1.08 -0.70 -4.64 116.67 117.19 1llb s ASP 288 Ca 0.07 2.83 0.40 0.00 -0.52 0.00 0.00 52.55 55.32 1llb s ASP 288 Cb 0.13 -2.64 2.23 0.00 -1.46 0.00 0.00 42.92 41.18 1llb s ASP 288 CO 0.71 -0.76 2.32 0.78 0.52 0.00 0.00 175.17 178.73 1llb h ASN 289 N 4.23 0.00 -0.25 -0.34 -0.26 -1.88 0.55 115.58 117.63 1llb h ASN 289 Ca -0.48 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.26 1llb h ASN 289 Cb 1.22 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.47 1llb h ASN 289 CO 0.73 0.00 0.14 0.11 -1.06 0.00 0.00 177.43 177.35 1llb h LYS 290 N 0.00 0.37 0.00 0.81 1.57 -1.92 -1.89 116.57 115.51 1llb h LYS 290 Ca 0.00 -0.03 -0.44 0.00 -1.87 0.00 0.00 60.65 58.31 1llb h LYS 290 Cb 0.05 -0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.22 1llb h LYS 290 CO -0.00 0.28 -2.50 -0.89 -0.57 0.00 0.00 179.45 175.77 1llb n ILE 291 N -4.46 1.52 0.27 1.86 5.41 -0.25 -4.12 119.36 119.59 1llb n ILE 291 Ca 0.01 -0.43 0.11 0.00 1.00 0.00 0.00 62.75 63.44 1llb n ILE 291 Cb 0.10 -1.76 0.75 0.00 -0.71 0.00 0.00 39.64 38.02 1llb n ILE 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1llb h ALA 292 N -0.70 1.82 -0.08 -1.39 0.00 -0.96 -1.81 119.26 116.14 1llb h ALA 292 Ca -0.66 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1llb h ALA 292 Cb 1.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1llb h ALA 292 CO -0.33 -0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.18 1llb n LEU 293 N -4.25 2.86 -4.83 0.00 4.77 -0.71 -4.55 117.00 110.29 1llb n LEU 293 Ca -0.03 -1.09 -0.33 0.00 -0.03 0.00 0.00 56.01 54.54 1llb n LEU 293 Cb 0.11 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.09 1llb n LEU 293 CO 0.31 0.51 0.53 0.00 -1.33 0.00 0.00 177.39 177.42 1llb s ALA 294 N -1.71 3.18 0.28 -1.18 0.00 -0.68 -4.65 121.76 117.00 1llb s ALA 294 Ca 0.27 0.22 -0.29 0.00 0.00 0.00 0.00 51.96 52.15 1llb s ALA 294 Cb 0.18 -2.95 -0.10 0.00 0.00 0.00 0.00 23.12 20.25 1llb s ALA 294 CO 0.27 0.23 1.15 0.00 0.00 0.00 0.00 175.76 177.41 1llb s ALA 295 N -2.08 3.43 0.00 0.00 0.00 -1.26 -4.67 121.76 117.19 1llb s ALA 295 Ca 0.58 0.98 0.00 0.00 0.00 0.00 0.00 51.96 53.52 1llb s ALA 295 Cb -0.10 -3.36 -0.00 0.00 0.00 0.00 0.00 23.12 19.65 1llb s ALA 295 CO 0.15 -0.27 -0.01 1.03 0.00 0.00 0.00 175.76 176.66 1llb s ARG 296 N -1.44 0.08 0.35 0.00 1.81 -0.68 -4.96 118.95 114.12 1llb s ARG 296 Ca 0.46 -0.15 -0.27 0.00 -1.72 0.00 0.00 55.73 54.04 1llb s ARG 296 Cb -0.34 0.02 -0.09 0.00 -0.45 0.00 0.00 34.95 34.09 1llb s ARG 296 CO 0.43 -0.01 1.19 -1.25 -0.68 0.00 0.00 175.30 174.98 1llb s PRO 297 N -0.36 4.31 0.10 3.54 0.04 -1.26 -0.41 135.00 140.97 1llb s PRO 297 Ca -0.04 1.93 0.08 0.00 0.04 0.00 0.00 61.00 63.01 1llb s PRO 297 Cb -0.02 -2.93 -0.04 0.00 0.04 0.00 0.00 34.50 31.54 1llb s PRO 297 CO -0.00 -0.13 -0.13 0.14 0.04 0.00 0.00 177.00 176.92 1llb s VAL 298 N -1.27 3.14 -0.19 -0.36 -7.23 -0.83 -4.58 120.40 109.08 1llb s VAL 298 Ca 0.51 -1.35 -0.04 0.00 -1.81 0.00 0.00 61.98 59.29 1llb s VAL 298 Cb -0.34 -2.45 -0.02 0.00 0.56 0.00 0.00 36.38 34.13 1llb s VAL 298 CO 0.43 0.12 -0.02 -0.75 -0.31 0.00 0.00 175.10 174.57 1llb s LYS 299 N -2.14 3.56 0.33 4.82 2.20 -0.61 -4.82 119.74 123.08 1llb s LYS 299 Ca 0.20 -0.55 -0.28 0.00 -0.36 0.00 0.00 55.97 54.97 1llb s LYS 299 Cb -0.11 -3.01 -0.10 0.00 -1.51 0.00 0.00 37.83 33.11 1llb s LYS 299 CO 0.12 0.03 1.18 0.00 -0.36 0.00 0.00 175.35 176.32 1llb s ALA 300 N 0.93 3.37 -0.44 3.13 0.00 -1.26 -1.60 121.76 125.90 1llb s ALA 300 Ca 0.00 1.02 -0.10 0.00 0.00 0.00 0.00 51.96 52.89 1llb s ALA 300 Cb -0.14 -3.39 0.08 0.00 0.00 0.00 0.00 23.12 19.67 1llb s ALA 300 CO 0.01 -0.40 0.30 0.42 0.00 0.00 0.00 175.76 176.09 1llb s ILE 301 N -1.23 4.41 -0.38 0.00 1.01 -0.91 -4.91 121.20 119.19 1llb s ILE 301 Ca 0.49 -1.39 -0.03 0.00 0.00 0.00 0.00 60.65 59.72 1llb s ILE 301 Cb -0.34 -3.72 0.09 0.00 0.01 0.00 0.00 42.46 38.51 1llb s ILE 301 CO 0.44 -0.56 0.16 -0.89 0.00 0.00 0.00 174.94 174.09 1llb s THR 302 N 1.46 3.30 0.73 2.92 2.01 -1.26 -1.95 115.64 122.85 1llb s THR 302 Ca 0.03 -1.86 -0.07 0.00 0.31 0.00 0.00 61.69 60.11 1llb s THR 302 Cb -0.24 -3.16 0.08 0.00 0.01 0.00 0.00 72.50 69.19 1llb s THR 302 CO 0.03 -0.55 1.04 -2.16 -0.69 0.00 0.00 174.62 172.29 1llb s PRO 303 N 1.19 1.96 0.31 4.92 0.04 -1.26 -5.10 135.00 137.06 1llb s PRO 303 Ca 0.05 -0.39 -0.30 0.00 0.04 0.00 0.00 61.00 60.40 1llb s PRO 303 Cb -0.22 -2.16 -0.12 0.00 0.04 0.00 0.00 34.50 32.04 1llb s PRO 303 CO -0.03 -1.39 1.48 -2.30 0.04 0.00 0.00 177.00 174.80 1llb n PRO 304 N -3.00 2.46 -2.49 0.56 -0.02 -0.82 -4.95 135.00 126.74 1llb n PRO 304 Ca 0.10 0.87 -0.42 0.00 -2.02 0.00 0.00 63.50 62.03 1llb n PRO 304 Cb 0.60 -2.58 -0.03 0.00 -0.02 0.00 0.00 33.50 31.47 1llb n PRO 304 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1llb s THR 305 N -0.42 4.15 0.78 3.45 2.01 -0.93 -4.81 115.64 119.87 1llb s THR 305 Ca 0.61 1.60 -0.13 0.00 0.31 0.00 0.00 61.69 64.08 1llb s THR 305 Cb -0.54 -4.02 0.07 0.00 0.01 0.00 0.00 72.50 68.02 1llb s THR 305 CO 0.54 0.16 1.17 -2.84 -0.69 0.00 0.00 174.62 172.96 1llb s PRO 306 N 0.76 1.88 -0.24 4.92 0.02 -1.26 -0.90 135.00 140.18 1llb s PRO 306 Ca 0.56 1.61 -0.43 0.00 0.02 0.00 0.00 61.00 62.76 1llb s PRO 306 Cb -0.28 -1.82 -0.19 0.00 0.02 0.00 0.00 34.50 32.23 1llb s PRO 306 CO 0.30 -2.00 1.38 0.00 -0.33 0.00 0.00 177.00 176.36 1llb n ALA 307 N -3.21 -2.15 -2.62 -1.55 0.00 -1.25 -4.71 120.51 105.01 1llb n ALA 307 Ca 0.12 0.53 -0.40 0.00 0.00 0.00 0.00 53.44 53.69 1llb n ALA 307 Cb 0.51 -1.89 -0.07 0.00 0.00 0.00 0.00 19.45 18.00 1llb n ALA 307 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1llb s VAL 308 N 1.67 5.04 0.25 0.00 1.01 -1.26 -4.97 120.40 122.12 1llb s VAL 308 Ca 0.97 0.94 -0.05 0.00 0.00 0.00 0.00 61.98 63.84 1llb s VAL 308 Cb -1.33 -3.87 0.20 0.00 0.00 0.00 0.00 36.38 31.38 1llb s VAL 308 CO 0.68 0.05 1.86 0.03 0.00 0.00 0.00 175.10 177.72 1llb h ARG 309 N 8.00 1.17 -3.67 2.72 3.08 -1.97 -3.22 114.38 120.49 1llb h ARG 309 Ca -0.28 -0.15 -0.73 0.00 0.07 0.00 0.00 59.98 58.89 1llb h ARG 309 Cb 1.13 -0.22 -0.09 0.00 0.08 0.00 0.00 29.97 30.87 1llb h ARG 309 CO 0.74 0.88 2.63 0.00 -1.07 0.00 0.00 179.97 183.15 1llb n ALA 310 N -2.42 5.60 -2.49 0.04 0.00 -1.26 -1.23 120.51 118.75 1llb n ALA 310 Ca 0.08 -4.08 -0.13 0.00 0.00 0.00 0.00 53.44 49.32 1llb n ALA 310 Cb 0.12 -3.25 -0.11 0.00 0.00 0.00 0.00 19.45 16.22 1llb n ALA 310 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1llb s SER 311 N 1.96 1.24 -0.33 0.00 0.01 -1.22 -1.38 113.70 113.98 1llb s SER 311 Ca 0.45 -0.80 -0.13 0.00 1.31 0.00 0.00 55.95 56.78 1llb s SER 311 Cb 0.12 0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.37 1llb s SER 311 CO -0.05 -0.30 0.25 0.86 0.41 0.00 0.00 173.24 174.42 1llb s TRP 312 N -2.49 3.23 -0.11 2.43 -0.11 1.00 -4.00 118.94 118.89 1llb s TRP 312 Ca 0.03 -0.14 0.01 0.00 1.22 0.00 0.00 56.10 57.22 1llb s TRP 312 Cb -0.02 -2.49 -0.02 0.00 -1.50 0.00 0.00 33.47 29.44 1llb s TRP 312 CO -0.01 -0.34 -0.13 0.08 -4.62 0.00 0.00 176.95 171.92 1llb s VAL 313 N 1.77 3.07 0.29 5.86 1.01 0.08 -1.03 120.40 131.46 1llb s VAL 313 Ca 0.07 -0.67 -0.20 0.00 0.00 0.00 0.00 61.98 61.18 1llb s VAL 313 Cb -0.17 -2.26 0.04 0.00 0.00 0.00 0.00 36.38 33.99 1llb s VAL 313 CO 0.11 0.54 0.80 -1.38 0.00 0.00 0.00 175.10 175.17 1llb s HIS 314 N 0.04 -0.06 -0.28 5.22 -3.43 -0.19 -0.71 115.29 115.89 1llb s HIS 314 Ca -0.05 -0.45 -0.19 0.00 -0.80 0.00 0.00 55.06 53.57 1llb s HIS 314 Cb -0.14 0.75 0.10 0.00 -1.43 0.00 0.00 32.58 31.85 1llb s HIS 314 CO 0.04 -1.28 0.83 0.21 -2.00 0.00 0.00 174.74 172.55 1llb s LYS 315 N -3.16 0.61 0.26 -0.38 2.47 -0.60 -2.35 119.74 116.58 1llb s LYS 315 Ca 0.13 0.92 0.01 0.00 -1.56 0.00 0.00 55.97 55.47 1llb s LYS 315 Cb -0.05 0.19 -0.04 0.00 -1.46 0.00 0.00 37.83 36.48 1llb s LYS 315 CO 0.08 -0.11 0.44 0.95 0.16 0.00 0.00 175.35 176.87 1llb s THR 316 N 1.07 5.18 -0.12 3.43 -4.23 -1.26 -2.14 115.64 117.56 1llb s THR 316 Ca -0.05 -0.51 -0.29 0.00 -1.18 0.00 0.00 61.69 59.66 1llb s THR 316 Cb -0.05 -3.80 0.07 0.00 1.34 0.00 0.00 72.50 70.06 1llb s THR 316 CO -0.12 -0.34 0.69 -0.83 -0.54 0.00 0.00 174.62 173.48 1llb s GLY 317 N -3.61 -0.56 0.09 3.99 0.00 -0.82 -3.78 107.32 102.63 1llb s GLY 317 Ca 0.38 1.54 -0.18 0.00 0.00 0.00 0.00 44.72 46.46 1llb s GLY 317 CO 0.31 1.21 0.42 0.00 0.00 0.00 0.00 173.10 175.04 1llb s ALA 318 N -0.66 -1.02 0.20 3.20 0.00 -1.26 0.10 121.76 122.33 1llb s ALA 318 Ca -0.07 0.16 0.02 0.00 0.00 0.00 0.00 51.96 52.07 1llb s ALA 318 Cb -0.02 0.55 -0.01 0.00 0.00 0.00 0.00 23.12 23.64 1llb s ALA 318 CO 0.07 -0.57 0.08 0.25 0.00 0.00 0.00 175.76 175.60 1llb n THR 319 N 0.09 0.00 -0.29 0.00 -2.24 -0.59 -3.97 114.28 107.27 1llb n THR 319 Ca -0.17 -1.21 0.07 0.00 -2.27 0.00 0.00 64.05 60.46 1llb n THR 319 Cb 0.62 0.46 0.28 0.00 -2.10 0.00 0.00 70.33 69.59 1llb n THR 319 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1llb h GLY 320 N 0.86 1.32 -0.66 3.38 0.00 -1.97 -3.12 103.07 102.87 1llb h GLY 320 Ca -0.16 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.79 1llb h GLY 320 CO 0.24 0.22 0.00 0.61 0.00 0.00 0.00 176.54 177.62 1llb n GLY 321 N -1.40 2.60 3.15 4.60 0.00 -1.26 -4.49 105.19 108.40 1llb n GLY 321 Ca 0.15 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 1llb n GLY 321 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1llb s PHE 322 N -0.96 0.93 -0.03 1.61 0.40 -1.18 -1.44 117.98 117.31 1llb s PHE 322 Ca 0.12 -0.71 -0.01 0.00 -0.60 0.00 0.00 56.93 55.73 1llb s PHE 322 Cb 0.06 -0.53 0.03 0.00 0.51 0.00 0.00 43.02 43.10 1llb s PHE 322 CO 0.08 -0.06 0.05 0.20 0.70 0.00 0.00 175.22 176.19 1llb s GLY 323 N -2.50 0.10 0.17 4.36 0.00 -0.71 -1.55 107.32 107.20 1llb s GLY 323 Ca 0.05 0.34 0.03 0.00 0.00 0.00 0.00 44.72 45.14 1llb s GLY 323 CO -0.02 0.89 -0.05 -1.35 0.00 0.00 0.00 173.10 172.58 1llb s SER 324 N 1.33 1.62 -0.26 1.64 1.04 0.12 -1.85 113.70 117.33 1llb s SER 324 Ca -0.06 -1.11 -0.25 0.00 0.48 0.00 0.00 55.95 55.02 1llb s SER 324 Cb -0.13 0.03 0.07 0.00 0.10 0.00 0.00 66.02 66.09 1llb s SER 324 CO -0.03 -0.45 0.70 -0.47 0.98 0.00 0.00 173.24 173.97 1llb s TYR 325 N -3.45 -0.77 -0.01 5.02 5.04 -0.68 -1.94 117.35 120.56 1llb s TYR 325 Ca 0.21 1.85 0.01 0.00 -2.44 0.00 0.00 57.07 56.70 1llb s TYR 325 Cb 0.04 0.27 0.01 0.00 0.35 0.00 0.00 41.96 42.63 1llb s TYR 325 CO 0.03 -0.38 -0.01 0.08 -1.34 0.00 0.00 175.55 173.93 1llb s VAL 326 N 0.32 0.17 -0.08 3.14 1.01 -0.91 -1.04 120.40 123.00 1llb s VAL 326 Ca -0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 61.98 61.82 1llb s VAL 326 Cb -0.05 -0.20 0.03 0.00 0.00 0.00 0.00 36.38 36.17 1llb s VAL 326 CO 0.01 0.09 0.36 0.00 0.00 0.00 0.00 175.10 175.56 1llb s ALA 327 N 0.42 -0.90 0.12 5.51 0.00 -0.84 -1.56 121.76 124.50 1llb s ALA 327 Ca -0.04 0.76 -0.18 0.00 0.00 0.00 0.00 51.96 52.51 1llb s ALA 327 Cb -0.06 -0.30 0.04 0.00 0.00 0.00 0.00 23.12 22.80 1llb s ALA 327 CO -0.01 -0.22 0.44 -0.59 0.00 0.00 0.00 175.76 175.38 1llb s PHE 328 N -0.50 -0.27 -0.30 0.00 -0.12 0.12 -0.45 117.98 116.46 1llb s PHE 328 Ca -0.06 0.01 0.01 0.00 -0.05 0.00 0.00 56.93 56.84 1llb s PHE 328 Cb -0.04 0.31 0.09 0.00 -0.63 0.00 0.00 43.02 42.75 1llb s PHE 328 CO 0.02 -0.71 0.05 0.42 -0.05 0.00 0.00 175.22 174.95 1llb s ILE 329 N -3.62 1.47 0.22 -4.49 1.01 -0.04 -0.74 121.20 115.02 1llb s ILE 329 Ca 0.02 -1.65 -0.08 0.00 0.00 0.00 0.00 60.65 58.94 1llb s ILE 329 Cb 0.01 -2.01 0.18 0.00 0.01 0.00 0.00 42.46 40.64 1llb s ILE 329 CO -0.11 -0.51 1.72 -0.65 0.00 0.00 0.00 174.94 175.39 1llb h PRO 330 N 7.91 0.35 -0.07 2.79 0.11 -1.68 -2.02 132.00 139.38 1llb h PRO 330 Ca -0.11 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.99 1llb h PRO 330 Cb 1.03 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.06 1llb h PRO 330 CO 0.47 0.23 0.06 1.49 -0.21 0.00 0.00 178.00 180.04 1llb h GLU 331 N 0.36 0.00 -0.17 1.05 4.81 -1.48 -2.44 114.58 116.72 1llb h GLU 331 Ca 0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 1llb h GLU 331 Cb 0.50 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1llb h GLU 331 CO -0.38 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 179.53 1llb n LYS 332 N -4.16 2.07 -3.97 1.92 5.02 -0.79 -4.96 118.16 113.28 1llb n LYS 332 Ca -0.01 -1.91 -0.32 0.00 -2.02 0.00 0.00 58.31 54.05 1llb n LYS 332 Cb 0.16 -1.42 0.01 0.00 -0.02 0.00 0.00 35.03 33.76 1llb n LYS 332 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1llb n GLU 333 N 1.21 -4.83 -5.11 1.97 1.02 -0.92 -4.54 120.64 109.44 1llb n GLU 333 Ca 0.14 0.54 -0.29 0.00 -0.02 0.00 0.00 57.16 57.53 1llb n GLU 333 Cb 0.53 -5.39 -0.16 0.00 -0.02 0.00 0.00 31.44 26.40 1llb n GLU 333 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1llb s LEU 334 N -7.25 2.03 0.24 -4.62 2.96 -1.17 -2.03 118.68 108.83 1llb s LEU 334 Ca 0.68 -0.43 -0.21 0.00 -0.22 0.00 0.00 54.13 53.95 1llb s LEU 334 Cb -0.35 -1.19 0.03 0.00 0.50 0.00 0.00 46.19 45.19 1llb s LEU 334 CO 0.84 0.25 0.66 -0.83 -1.32 0.00 0.00 176.35 175.94 1llb s GLY 335 N -0.33 -0.21 -0.07 7.98 0.00 -0.19 -0.86 107.32 113.64 1llb s GLY 335 Ca 0.03 -0.11 -0.11 0.00 0.00 0.00 0.00 44.72 44.54 1llb s GLY 335 CO 0.01 -0.06 0.27 -1.50 0.00 0.00 0.00 173.10 171.82 1llb s ILE 336 N -3.87 0.03 -0.08 0.90 2.07 0.41 -0.25 121.20 120.40 1llb s ILE 336 Ca 0.09 -0.22 0.02 0.00 -1.41 0.00 0.00 60.65 59.13 1llb s ILE 336 Cb -0.04 -0.47 0.01 0.00 0.13 0.00 0.00 42.46 42.10 1llb s ILE 336 CO 0.01 -0.12 -0.14 -0.69 -1.91 0.00 0.00 174.94 172.09 1llb s VAL 337 N -0.46 1.27 -0.19 4.00 1.01 -0.04 -1.98 120.40 124.01 1llb s VAL 337 Ca -0.06 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1llb s VAL 337 Cb -0.04 -1.16 0.05 0.00 0.00 0.00 0.00 36.38 35.23 1llb s VAL 337 CO 0.02 0.39 -0.08 -0.04 0.00 0.00 0.00 175.10 175.39 1llb s MET 338 N 0.73 1.78 -0.16 2.72 -1.94 -0.21 -1.44 119.30 120.78 1llb s MET 338 Ca -0.13 -0.76 0.00 0.00 -1.71 0.00 0.00 55.69 53.09 1llb s MET 338 Cb -0.16 -2.32 -0.00 0.00 2.01 0.00 0.00 34.83 34.36 1llb s MET 338 CO 0.03 -0.46 -0.15 -0.51 -0.01 0.00 0.00 175.02 173.92 1llb s LEU 339 N 1.47 2.47 0.03 -0.03 1.43 -0.34 -1.68 118.68 122.02 1llb s LEU 339 Ca -0.01 -0.48 0.03 0.00 -1.03 0.00 0.00 54.13 52.64 1llb s LEU 339 Cb -0.16 -1.56 -0.02 0.00 0.03 0.00 0.00 46.19 44.48 1llb s LEU 339 CO -0.08 0.07 -0.10 0.00 0.23 0.00 0.00 176.35 176.47 1llb s ALA 340 N 0.88 0.83 -0.55 4.21 0.00 -0.77 -1.01 121.76 125.36 1llb s ALA 340 Ca -0.04 -0.65 -0.02 0.00 0.00 0.00 0.00 51.96 51.25 1llb s ALA 340 Cb -0.15 -0.11 0.30 0.00 0.00 0.00 0.00 23.12 23.16 1llb s ALA 340 CO -0.01 0.13 2.15 0.27 0.00 0.00 0.00 175.76 178.30 1llb n ASN 341 N 2.08 7.08 -3.70 0.00 0.23 -0.94 -1.74 115.26 118.28 1llb n ASN 341 Ca -0.18 -3.47 -0.12 0.00 -0.53 0.00 0.00 54.58 50.29 1llb n ASN 341 Cb 0.56 -1.06 -0.10 0.00 -2.08 0.00 0.00 39.78 37.10 1llb n ASN 341 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1llb s LYS 342 N -2.86 0.50 -1.09 -3.83 2.20 -0.52 -1.16 119.74 112.98 1llb s LYS 342 Ca 0.51 0.75 -0.19 0.00 -0.36 0.00 0.00 55.97 56.67 1llb s LYS 342 Cb 0.39 0.15 0.09 0.00 -1.51 0.00 0.00 37.83 36.95 1llb s LYS 342 CO -0.10 -0.11 1.43 1.21 -0.36 0.00 0.00 175.35 177.42 1llb s ASN 343 N 0.79 6.69 0.25 1.43 3.04 -1.25 -2.50 114.94 123.38 1llb s ASN 343 Ca -0.04 -2.05 0.05 0.00 0.04 0.00 0.00 52.86 50.85 1llb s ASN 343 Cb -0.05 -2.50 -0.03 0.00 -1.54 0.00 0.00 41.25 37.12 1llb s ASN 343 CO -0.06 -1.21 0.37 -0.72 -3.04 0.00 0.00 177.10 172.45 1llb s TYR 344 N 3.73 3.43 0.07 0.43 1.13 -1.26 -4.96 117.35 119.92 1llb s TYR 344 Ca 0.44 -0.02 -0.37 0.00 -1.41 0.00 0.00 57.07 55.70 1llb s TYR 344 Cb -0.01 -1.61 -0.18 0.00 -1.10 0.00 0.00 41.96 39.07 1llb s TYR 344 CO -0.04 0.40 1.22 -2.30 -2.51 0.00 0.00 175.55 172.31 1llb n PRO 345 N -1.44 0.76 -0.25 -3.49 -0.02 -1.26 -4.91 135.00 124.38 1llb n PRO 345 Ca -0.08 0.27 0.03 0.00 -2.02 0.00 0.00 63.50 61.70 1llb n PRO 345 Cb 0.57 -1.84 0.15 0.00 -0.02 0.00 0.00 33.50 32.36 1llb n PRO 345 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1llb h ASN 346 N 3.87 0.44 -0.48 2.55 2.35 -1.96 -2.25 115.58 120.11 1llb h ASN 346 Ca -0.48 0.07 0.06 0.00 -0.55 0.00 0.00 56.30 55.41 1llb h ASN 346 Cb 1.37 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.71 1llb h ASN 346 CO 0.72 0.24 0.32 -0.65 -1.65 0.00 0.00 177.43 176.41 1llb h PRO 347 N 0.58 0.37 -0.17 0.81 0.11 -1.82 -0.66 132.00 131.21 1llb h PRO 347 Ca 0.37 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.36 1llb h PRO 347 Cb 0.44 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 1llb h PRO 347 CO -0.30 0.24 -0.35 0.00 -0.21 0.00 0.00 178.00 177.39 1llb h ALA 348 N 1.74 1.09 -0.07 -0.75 0.00 -1.77 -0.13 119.26 119.38 1llb h ALA 348 Ca 0.21 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1llb h ALA 348 Cb 0.35 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1llb h ALA 348 CO -0.05 0.57 -0.06 0.00 0.00 0.00 0.00 179.25 179.71 1llb h ARG 349 N 0.31 0.16 -0.45 0.00 3.08 -1.09 -2.41 114.38 113.97 1llb h ARG 349 Ca 0.04 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 1llb h ARG 349 Cb 0.76 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.79 1llb h ARG 349 CO 0.06 0.59 0.04 0.28 -1.07 0.00 0.00 179.97 179.87 1llb h VAL 350 N -0.27 1.25 -0.30 2.04 2.07 -1.24 -0.82 116.25 118.98 1llb h VAL 350 Ca 0.01 -0.97 0.04 0.00 0.82 0.00 0.00 66.70 66.61 1llb h VAL 350 Cb 0.56 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 1llb h VAL 350 CO 0.02 0.34 0.06 -0.78 0.02 0.00 0.00 177.57 177.22 1llb h ASP 351 N 0.63 0.02 -0.58 0.57 3.58 -1.07 0.21 116.42 119.77 1llb h ASP 351 Ca 0.13 0.05 -0.03 0.00 0.42 0.00 0.00 57.03 57.60 1llb h ASP 351 Cb 0.43 0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.52 1llb h ASP 351 CO 0.01 0.04 0.26 0.00 -2.88 0.00 0.00 179.24 176.68 1llb h ALA 352 N 1.22 0.75 -0.64 -0.78 0.00 -1.25 -1.14 119.26 117.43 1llb h ALA 352 Ca 0.14 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1llb h ALA 352 Cb 0.15 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1llb h ALA 352 CO -0.18 0.34 0.09 0.00 0.00 0.00 0.00 179.25 179.49 1llb h ALA 353 N 1.10 0.85 -0.63 0.00 0.00 -0.63 -1.83 119.26 118.13 1llb h ALA 353 Ca 0.20 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1llb h ALA 353 Cb 0.16 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1llb h ALA 353 CO -0.02 0.63 0.28 2.35 0.00 0.00 0.00 179.25 182.48 1llb h TRP 354 N 0.98 0.93 -0.97 0.00 2.91 -0.36 0.02 115.95 119.46 1llb h TRP 354 Ca 0.19 -0.06 0.01 0.00 1.13 0.00 0.00 58.89 60.17 1llb h TRP 354 Cb 0.46 -0.28 -0.05 0.00 -0.51 0.00 0.00 29.16 28.78 1llb h TRP 354 CO 0.03 0.72 0.64 1.96 -1.03 0.00 0.00 178.44 180.76 1llb h GLN 355 N 0.87 1.26 0.03 2.65 1.08 -0.87 -0.30 115.11 119.82 1llb h GLN 355 Ca 0.21 -0.08 -0.00 0.00 -1.45 0.00 0.00 58.65 57.33 1llb h GLN 355 Cb 0.16 -0.28 0.00 0.00 -0.05 0.00 0.00 27.48 27.31 1llb h GLN 355 CO -0.02 0.84 -0.01 0.82 -0.95 0.00 0.00 178.83 179.50 1llb h ILE 356 N 1.30 1.39 -0.25 2.54 2.04 -0.96 -2.81 117.51 120.76 1llb h ILE 356 Ca 0.36 -1.40 -0.12 0.00 1.00 0.00 0.00 64.86 64.70 1llb h ILE 356 Cb -0.14 2.31 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 1llb h ILE 356 CO -0.08 0.35 -0.33 -0.07 0.00 0.00 0.00 178.15 178.02 1llb h LEU 357 N -0.66 0.56 -1.20 1.44 3.38 -0.94 -2.60 115.31 115.29 1llb h LEU 357 Ca -0.00 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 1llb h LEU 357 Cb 0.61 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1llb h LEU 357 CO 0.01 0.85 -0.32 -1.13 0.09 0.00 0.00 178.44 177.93 1llb h ASN 358 N 0.46 0.13 0.48 -0.43 -1.24 -1.15 0.29 115.58 114.12 1llb h ASN 358 Ca 0.05 -0.04 -0.12 0.00 0.71 0.00 0.00 56.30 56.91 1llb h ASN 358 Cb 0.79 -0.03 -0.02 0.00 0.73 0.00 0.00 38.32 39.79 1llb h ASN 358 CO 0.06 0.45 -0.53 0.00 -1.29 0.00 0.00 177.43 176.12 1llb h ALA 359 N 1.56 1.08 0.00 1.57 0.00 -1.20 -3.24 119.26 119.03 1llb h ALA 359 Ca 0.01 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1llb h ALA 359 Cb 0.63 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1llb h ALA 359 CO 0.05 0.67 -1.33 1.28 0.00 0.00 0.00 179.25 179.91 1llb n LEU 360 N -3.91 0.52 0.00 0.00 4.77 -0.80 -5.11 117.00 112.47 1llb n LEU 360 Ca -0.02 0.14 0.05 0.00 -0.03 0.00 0.00 56.01 56.15 1llb n LEU 360 Cb 0.55 -0.05 0.27 0.00 -2.33 0.00 0.00 43.42 41.86 1llb n LEU 360 CO 0.42 -0.07 0.49 0.00 -1.33 0.00 0.00 177.39 176.90