#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bln s LYS 2 N 0.00 3.54 0.01 2.12 1.02 -1.26 -1.04 119.74 124.13 2bln s LYS 2 Ca 0.00 -0.08 -0.07 0.00 0.02 0.00 0.00 55.97 55.84 2bln s LYS 2 Cb 0.00 -3.14 -0.00 0.00 -0.52 0.00 0.00 37.83 34.17 2bln s LYS 2 CO 0.00 0.71 0.13 -0.08 -0.92 0.00 0.00 175.35 175.18 2bln s THR 3 N -1.18 0.09 -0.11 2.17 -1.32 0.38 -0.54 115.64 115.13 2bln s THR 3 Ca 0.22 -0.74 -0.01 0.00 -1.21 0.00 0.00 61.69 59.96 2bln s THR 3 Cb -0.13 -0.46 -0.02 0.00 -1.51 0.00 0.00 72.50 70.37 2bln s THR 3 CO 0.12 -0.41 -0.09 -0.69 -2.21 0.00 0.00 174.62 171.34 2bln s VAL 4 N -1.50 3.48 -0.04 5.08 1.01 -1.15 -1.35 120.40 125.92 2bln s VAL 4 Ca -0.14 -0.53 0.07 0.00 0.00 0.00 0.00 61.98 61.38 2bln s VAL 4 Cb -0.07 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 2bln s VAL 4 CO 0.01 0.54 -0.25 -0.69 0.00 0.00 0.00 175.10 174.71 2bln s VAL 5 N -0.05 2.00 -0.20 2.92 1.01 -0.76 -2.50 120.40 122.82 2bln s VAL 5 Ca -0.01 -1.06 -0.03 0.00 0.00 0.00 0.00 61.98 60.88 2bln s VAL 5 Cb -0.14 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 2bln s VAL 5 CO 0.03 0.56 -0.05 -0.36 0.00 0.00 0.00 175.10 175.28 2bln s PHE 6 N -0.36 2.95 -0.07 5.22 0.08 0.16 -0.36 117.98 125.60 2bln s PHE 6 Ca 0.03 -0.78 -0.25 0.00 0.12 0.00 0.00 56.93 56.04 2bln s PHE 6 Cb -0.12 -2.05 0.06 0.00 -0.57 0.00 0.00 43.02 40.33 2bln s PHE 6 CO 0.01 -0.42 0.58 0.00 -0.10 0.00 0.00 175.22 175.29 2bln s ALA 7 N 1.17 -1.48 -0.03 5.36 0.00 0.09 -0.47 121.76 126.40 2bln s ALA 7 Ca 0.02 1.14 -0.24 0.00 0.00 0.00 0.00 51.96 52.88 2bln s ALA 7 Cb -0.14 -0.15 0.05 0.00 0.00 0.00 0.00 23.12 22.88 2bln s ALA 7 CO -0.01 -0.33 0.53 -0.47 0.00 0.00 0.00 175.76 175.48 2bln s TYR 8 N -0.97 -0.47 0.00 0.00 5.04 -0.78 -4.21 117.35 115.96 2bln s TYR 8 Ca -0.10 0.77 0.00 0.00 -2.44 0.00 0.00 57.07 55.30 2bln s TYR 8 Cb -0.02 0.29 0.00 0.00 0.35 0.00 0.00 41.96 42.58 2bln s TYR 8 CO 0.07 -0.53 0.00 0.72 -1.34 0.00 0.00 175.55 174.47 2bln n HIS 9 N 1.04 -0.97 -0.22 4.97 8.25 -1.26 -1.32 115.22 125.72 2bln n HIS 9 Ca -0.20 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.18 2bln n HIS 9 Cb 0.57 0.18 0.03 0.00 1.12 0.00 0.00 29.99 31.89 2bln n HIS 9 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 2bln h ASP 10 N 0.00 0.98 -0.60 0.41 3.32 -1.92 -1.26 116.42 117.35 2bln h ASP 10 Ca 0.00 -0.26 -0.04 0.00 0.02 0.00 0.00 57.03 56.75 2bln h ASP 10 Cb 0.00 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.26 2bln h ASP 10 CO 0.00 0.99 0.23 0.24 -1.72 0.00 0.00 179.24 178.98 2bln h MET 11 N 0.93 0.94 -0.24 3.56 2.86 -1.88 -0.64 114.93 120.46 2bln h MET 11 Ca 0.19 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 2bln h MET 11 Cb 0.43 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 2bln h MET 11 CO 0.01 0.79 0.13 0.78 1.06 0.00 0.00 176.91 179.68 2bln h GLY 12 N 1.02 0.36 0.92 8.32 0.00 -0.73 -0.51 103.07 112.46 2bln h GLY 12 Ca 0.21 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.37 2bln h GLY 12 CO -0.02 0.16 0.08 0.00 0.00 0.00 0.00 176.54 176.76 2bln h LEU 14 N 0.14 0.07 -0.35 0.00 8.10 -1.06 -1.03 115.31 121.17 2bln h LEU 14 Ca 0.05 -0.02 -0.06 0.00 0.11 0.00 0.00 57.88 57.96 2bln h LEU 14 Cb 0.10 -0.02 -0.01 0.00 -0.44 0.00 0.00 40.66 40.29 2bln h LEU 14 CO -0.01 0.46 -0.01 1.23 -4.11 0.00 0.00 178.44 176.00 2bln h GLY 15 N 1.21 0.69 0.98 0.17 0.00 -0.86 -0.20 103.07 105.05 2bln h GLY 15 Ca 0.00 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 46.82 2bln h GLY 15 CO 0.05 0.47 0.20 -2.22 0.00 0.00 0.00 176.54 175.05 2bln h ILE 16 N 0.44 1.12 -0.66 2.60 2.04 -1.07 -0.93 117.51 121.05 2bln h ILE 16 Ca 0.10 -0.29 0.03 0.00 1.00 0.00 0.00 64.86 65.69 2bln h ILE 16 Cb 0.48 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 2bln h ILE 16 CO 0.02 0.12 0.41 -0.33 0.00 0.00 0.00 178.15 178.38 2bln h GLU 17 N 0.44 0.79 -0.63 2.37 5.08 -1.05 -1.16 114.58 120.43 2bln h GLU 17 Ca 0.12 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 2bln h GLU 17 Cb 0.02 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 2bln h GLU 17 CO -0.02 0.52 0.16 0.00 -1.00 0.00 0.00 179.01 178.67 2bln h ALA 18 N 1.28 0.82 -0.38 3.43 0.00 -0.73 -0.36 119.26 123.33 2bln h ALA 18 Ca 0.26 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2bln h ALA 18 Cb 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2bln h ALA 18 CO -0.10 0.53 0.24 -0.07 0.00 0.00 0.00 179.25 179.85 2bln h LEU 19 N 0.92 0.44 -0.61 0.00 3.38 -0.82 -1.04 115.31 117.58 2bln h LEU 19 Ca 0.20 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 2bln h LEU 19 Cb 0.35 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 2bln h LEU 19 CO 0.00 0.35 0.17 -0.07 0.09 0.00 0.00 178.44 178.97 2bln h LEU 20 N 0.50 0.91 -1.51 1.67 3.38 -0.97 -1.38 115.31 117.91 2bln h LEU 20 Ca 0.14 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 2bln h LEU 20 Cb -0.03 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 2bln h LEU 20 CO -0.03 0.90 -0.25 0.00 0.09 0.00 0.00 178.44 179.15 2bln h ALA 21 N 1.05 1.56 -0.07 1.53 0.00 -0.83 -1.97 119.26 120.53 2bln h ALA 21 Ca 0.19 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2bln h ALA 21 Cb 0.33 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2bln h ALA 21 CO -0.00 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.56 2bln n ALA 22 N -2.48 2.58 -0.79 0.00 0.00 -0.41 -4.92 120.51 114.50 2bln n ALA 22 Ca -0.02 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.07 2bln n ALA 22 Cb 0.30 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.53 2bln n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bln n GLY 23 N 1.03 0.55 3.79 0.00 0.00 -0.74 -4.92 105.19 104.90 2bln n GLY 23 Ca 0.17 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 2bln n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bln s TYR 24 N -2.00 3.06 -0.34 1.61 2.02 -0.57 -4.59 117.35 116.53 2bln s TYR 24 Ca 0.00 1.59 -0.14 0.00 -0.37 0.00 0.00 57.07 58.16 2bln s TYR 24 Cb 0.00 -3.10 -0.01 0.00 -0.40 0.00 0.00 41.96 38.45 2bln s TYR 24 CO 0.00 -0.82 0.27 -2.00 -1.57 0.00 0.00 175.55 171.44 2bln s GLU 25 N -3.02 3.49 -0.38 -0.62 2.12 -0.21 -4.50 118.70 115.60 2bln s GLU 25 Ca 0.65 -0.60 -0.17 0.00 0.36 0.00 0.00 54.97 55.20 2bln s GLU 25 Cb -0.18 -3.81 0.00 0.00 0.26 0.00 0.00 34.13 30.40 2bln s GLU 25 CO 0.23 -0.48 0.46 0.42 -0.54 0.00 0.00 175.26 175.35 2bln s ILE 26 N 1.80 5.06 -0.13 -3.70 1.01 -1.26 -0.47 121.20 123.51 2bln s ILE 26 Ca 0.07 0.04 0.16 0.00 0.00 0.00 0.00 60.65 60.92 2bln s ILE 26 Cb -0.17 -3.97 -0.05 0.00 0.01 0.00 0.00 42.46 38.28 2bln s ILE 26 CO 0.11 -0.27 1.13 0.77 0.00 0.00 0.00 174.94 176.67 2bln h SER 27 N 8.57 0.00 -4.24 3.58 4.64 -1.60 -3.47 113.55 121.04 2bln h SER 27 Ca -0.28 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.07 2bln h SER 27 Cb 1.12 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.99 2bln h SER 27 CO 0.77 0.56 0.40 0.00 -0.87 0.00 0.00 176.83 177.68 2bln s ALA 28 N -2.94 -1.88 -0.07 5.18 0.00 -1.26 -4.39 121.76 116.41 2bln s ALA 28 Ca 0.00 1.58 0.05 0.00 0.00 0.00 0.00 51.96 53.60 2bln s ALA 28 Cb 0.08 -0.64 -0.00 0.00 0.00 0.00 0.00 23.12 22.56 2bln s ALA 28 CO 0.78 -0.32 -0.22 0.42 0.00 0.00 0.00 175.76 176.42 2bln s ILE 29 N -0.83 1.87 -0.15 0.00 1.01 -0.52 -1.83 121.20 120.76 2bln s ILE 29 Ca -0.04 -0.95 -0.04 0.00 0.00 0.00 0.00 60.65 59.62 2bln s ILE 29 Cb -0.01 -1.60 -0.03 0.00 0.01 0.00 0.00 42.46 40.82 2bln s ILE 29 CO 0.03 0.52 0.00 -0.36 0.00 0.00 0.00 174.94 175.13 2bln s PHE 30 N 0.06 3.13 0.00 3.97 0.08 0.51 -0.94 117.98 124.80 2bln s PHE 30 Ca -0.08 -0.06 0.00 0.00 0.12 0.00 0.00 56.93 56.91 2bln s PHE 30 Cb -0.15 -1.95 0.00 0.00 -0.57 0.00 0.00 43.02 40.35 2bln s PHE 30 CO 0.05 0.15 0.00 -2.37 -0.10 0.00 0.00 175.22 172.95 2bln n THR 31 N 3.17 0.00 -4.40 0.64 5.66 0.08 -0.73 114.28 118.69 2bln n THR 31 Ca -0.17 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.57 2bln n THR 31 Cb 0.53 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.19 2bln n THR 31 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 2bln s HIS 32 N -2.56 2.18 0.53 1.09 0.09 -1.26 -4.26 115.29 111.10 2bln s HIS 32 Ca 0.00 -0.38 -0.20 0.00 -0.00 0.00 0.00 55.06 54.48 2bln s HIS 32 Cb 0.00 -1.08 -0.06 0.00 -0.00 0.00 0.00 32.58 31.44 2bln s HIS 32 CO 0.00 0.46 1.11 0.95 -0.00 0.00 0.00 174.74 177.26 2bln s THR 33 N -1.77 3.30 0.02 1.30 -4.23 -1.26 -4.96 115.64 108.03 2bln s THR 33 Ca 0.20 0.81 -0.00 0.00 -1.18 0.00 0.00 61.69 61.51 2bln s THR 33 Cb -0.07 -3.33 0.00 0.00 1.34 0.00 0.00 72.50 70.44 2bln s THR 33 CO 0.09 -0.17 0.02 0.47 -0.54 0.00 0.00 174.62 174.49 2bln n ASP 34 N -1.23 0.00 0.09 3.99 8.00 -1.26 -5.21 116.55 120.94 2bln n ASP 34 Ca 0.11 -1.01 0.00 0.00 0.71 0.00 0.00 54.79 54.60 2bln n ASP 34 Cb 0.51 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 2bln n ASP 34 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 2bln n PHE 41 N -1.93 0.00 -2.40 1.24 1.16 -1.26 -5.33 117.46 108.93 2bln n PHE 41 Ca 0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.23 2bln n PHE 41 Cb 0.01 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 37.86 2bln n PHE 41 CO 0.00 0.00 0.00 0.71 -1.87 0.00 0.00 176.76 175.60 2bln s TYR 42 N -1.72 2.90 0.62 2.97 2.02 -1.26 -5.02 117.35 117.86 2bln s TYR 42 Ca 0.00 1.57 -0.18 0.00 -0.37 0.00 0.00 57.07 58.08 2bln s TYR 42 Cb 0.00 -3.20 -0.03 0.00 -0.40 0.00 0.00 41.96 38.33 2bln s TYR 42 CO 0.00 -1.16 1.12 0.41 -1.57 0.00 0.00 175.55 174.35 2bln n GLY 43 N 0.08 0.09 3.51 0.71 0.00 -1.26 -4.92 105.19 103.39 2bln n GLY 43 Ca 0.09 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 2bln n GLY 43 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2bln s SER 44 N -1.29 6.17 0.21 1.61 0.15 -1.26 -4.02 113.70 115.27 2bln s SER 44 Ca 0.79 -0.52 -0.09 0.00 0.70 0.00 0.00 55.95 56.82 2bln s SER 44 Cb -0.40 -2.20 0.23 0.00 -1.71 0.00 0.00 66.02 61.94 2bln s SER 44 CO 0.44 -0.45 1.83 0.58 1.20 0.00 0.00 173.24 176.84 2bln h VAL 45 N 5.63 1.04 -0.55 4.45 2.07 -1.91 -1.87 116.25 125.11 2bln h VAL 45 Ca -0.28 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 66.97 2bln h VAL 45 Cb 1.13 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 2bln h VAL 45 CO 0.74 0.15 0.36 0.00 0.02 0.00 0.00 177.57 178.83 2bln h ALA 46 N 1.33 0.71 -0.70 1.67 0.00 -1.92 0.39 119.26 120.74 2bln h ALA 46 Ca 0.30 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 2bln h ALA 46 Cb 0.10 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2bln h ALA 46 CO -0.14 0.11 0.24 -0.09 0.00 0.00 0.00 179.25 179.37 2bln h ARG 47 N 0.72 1.07 -0.23 0.00 2.43 -1.93 0.09 114.38 116.53 2bln h ARG 47 Ca 0.21 -0.22 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2bln h ARG 47 Cb -0.05 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.33 2bln h ARG 47 CO -0.06 0.91 0.13 1.25 -1.51 0.00 0.00 179.97 180.68 2bln h LEU 48 N 1.01 0.29 -0.52 3.80 5.85 -0.91 -0.48 115.31 124.34 2bln h LEU 48 Ca 0.23 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.92 2bln h LEU 48 Cb 0.27 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 2bln h LEU 48 CO -0.01 0.29 0.24 0.00 -0.34 0.00 0.00 178.44 178.62 2bln h ALA 49 N 1.01 0.66 -0.31 1.25 0.00 -0.66 -0.43 119.26 120.79 2bln h ALA 49 Ca 0.08 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2bln h ALA 49 Cb 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2bln h ALA 49 CO -0.01 -0.12 0.16 0.00 0.00 0.00 0.00 179.25 179.28 2bln h ALA 50 N 1.30 0.40 -0.40 0.00 0.00 -0.64 -0.05 119.26 119.88 2bln h ALA 50 Ca 0.24 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2bln h ALA 50 Cb 0.18 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2bln h ALA 50 CO -0.19 -0.06 0.06 0.93 0.00 0.00 0.00 179.25 180.00 2bln h GLU 51 N 0.37 0.60 -0.01 0.00 5.08 -0.66 -2.63 114.58 117.33 2bln h GLU 51 Ca 0.11 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2bln h GLU 51 Cb 0.09 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2bln h GLU 51 CO -0.02 0.57 -0.05 0.54 -1.00 0.00 0.00 179.01 179.06 2bln n ARG 52 N -4.30 1.14 -2.23 2.33 5.12 -0.21 -4.93 116.66 113.58 2bln n ARG 52 Ca 0.02 -0.46 -0.07 0.00 -1.93 0.00 0.00 57.85 55.41 2bln n ARG 52 Cb 0.22 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.03 2bln n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2bln n GLY 53 N 1.17 0.13 3.53 -0.13 0.00 -0.32 -5.03 105.19 104.54 2bln n GLY 53 Ca 0.18 -0.56 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 2bln n GLY 53 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bln s ILE 54 N -2.45 4.04 0.33 -0.61 1.01 -0.18 -5.03 121.20 118.31 2bln s ILE 54 Ca 0.03 -0.31 -0.29 0.00 0.00 0.00 0.00 60.65 60.08 2bln s ILE 54 Cb -0.01 -2.77 -0.12 0.00 0.01 0.00 0.00 42.46 39.57 2bln s ILE 54 CO 0.03 0.49 1.43 -2.65 0.00 0.00 0.00 174.94 174.25 2bln n PRO 55 N 3.46 2.40 -4.13 2.79 -0.02 -1.26 -4.33 135.00 133.90 2bln n PRO 55 Ca -0.17 0.85 -0.15 0.00 -2.02 0.00 0.00 63.50 62.00 2bln n PRO 55 Cb 0.52 -2.52 -0.14 0.00 -0.02 0.00 0.00 33.50 31.34 2bln n PRO 55 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2bln s VAL 56 N -0.73 0.41 0.01 -1.45 0.11 -1.26 -1.43 120.40 116.06 2bln s VAL 56 Ca 0.58 -0.32 0.00 0.00 -2.93 0.00 0.00 61.98 59.32 2bln s VAL 56 Cb -0.54 -0.36 -0.01 0.00 -1.53 0.00 0.00 36.38 33.94 2bln s VAL 56 CO 0.58 0.05 -0.02 -0.31 -3.33 0.00 0.00 175.10 172.07 2bln s TYR 57 N -0.27 0.20 -0.39 1.54 2.02 -0.11 -4.98 117.35 115.35 2bln s TYR 57 Ca 0.00 -0.22 0.12 0.00 -0.37 0.00 0.00 57.07 56.60 2bln s TYR 57 Cb -0.03 -0.13 0.41 0.00 -0.40 0.00 0.00 41.96 41.80 2bln s TYR 57 CO -0.00 -0.07 0.92 0.00 -1.57 0.00 0.00 175.55 174.83 2bln n ALA 58 N 2.45 3.52 -1.75 3.71 0.00 -1.26 -0.74 120.51 126.44 2bln n ALA 58 Ca -0.17 -3.66 -0.39 0.00 0.00 0.00 0.00 53.44 49.23 2bln n ALA 58 Cb 0.58 -0.83 0.03 0.00 0.00 0.00 0.00 19.45 19.23 2bln n ALA 58 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2bln s PRO 59 N -3.06 3.30 0.30 0.00 0.04 -1.26 -4.57 135.00 129.74 2bln s PRO 59 Ca 0.38 2.23 -0.02 0.00 0.04 0.00 0.00 61.00 63.62 2bln s PRO 59 Cb 0.39 -2.35 0.44 0.00 0.04 0.00 0.00 34.50 33.02 2bln s PRO 59 CO -0.06 -1.06 1.95 0.22 0.04 0.00 0.00 177.00 178.09 2bln h ASP 60 N 1.68 0.93 -3.17 6.66 3.58 -1.99 -3.38 116.42 120.74 2bln h ASP 60 Ca -0.51 -0.04 -0.51 0.00 0.42 0.00 0.00 57.03 56.40 2bln h ASP 60 Cb 1.29 -0.23 -0.40 0.00 1.72 0.00 0.00 39.33 41.70 2bln h ASP 60 CO 0.58 0.70 -0.76 0.21 -2.88 0.00 0.00 179.24 177.09 2bln s ASN 61 N -6.32 2.88 0.24 2.28 3.84 -1.26 -4.98 114.94 111.60 2bln s ASN 61 Ca -0.11 -0.86 0.24 0.00 0.21 0.00 0.00 52.86 52.35 2bln s ASN 61 Cb 0.18 -0.50 0.92 0.00 -0.55 0.00 0.00 41.25 41.30 2bln s ASN 61 CO 0.79 -0.34 1.74 0.55 -2.79 0.00 0.00 177.10 177.05 2bln n VAL 62 N 5.12 0.74 -1.79 -5.21 3.14 -1.26 -4.25 118.33 114.81 2bln n VAL 62 Ca -0.08 0.04 -0.41 0.00 -2.96 0.00 0.00 64.34 60.94 2bln n VAL 62 Cb 0.47 -0.95 -0.01 0.00 -1.06 0.00 0.00 33.84 32.29 2bln n VAL 62 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2bln n ASN 63 N -2.23 5.71 -4.02 6.55 3.02 -1.26 -4.43 115.26 118.59 2bln n ASN 63 Ca 0.03 -2.87 -0.20 0.00 -0.03 0.00 0.00 54.58 51.52 2bln n ASN 63 Cb 0.30 -1.57 -0.15 0.00 -0.61 0.00 0.00 39.78 37.75 2bln n ASN 63 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 2bln s HIS 64 N 1.91 0.94 0.29 3.10 2.46 -1.26 -5.04 115.29 117.69 2bln s HIS 64 Ca 0.51 -0.21 0.01 0.00 0.47 0.00 0.00 55.06 55.85 2bln s HIS 64 Cb 0.14 -0.64 0.70 0.00 -0.13 0.00 0.00 32.58 32.65 2bln s HIS 64 CO -0.06 -0.07 1.63 -1.00 -2.47 0.00 0.00 174.74 172.77 2bln h PRO 65 N 6.18 0.14 -0.05 2.88 0.13 -1.97 0.31 132.00 139.61 2bln h PRO 65 Ca -0.32 -0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 64.68 2bln h PRO 65 Cb 1.17 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2bln h PRO 65 CO 0.49 0.09 -0.52 -0.07 -0.23 0.00 0.00 178.00 177.76 2bln h LEU 66 N 0.14 0.15 -0.48 1.56 3.38 -1.96 0.53 115.31 118.63 2bln h LEU 66 Ca 0.55 -0.08 -0.17 0.00 0.09 0.00 0.00 57.88 58.27 2bln h LEU 66 Cb 1.12 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2bln h LEU 66 CO -0.72 0.65 -0.70 -0.50 0.09 0.00 0.00 178.44 177.26 2bln h TRP 67 N 0.11 0.40 -0.17 1.13 4.06 -1.25 -0.92 115.95 119.31 2bln h TRP 67 Ca 0.00 -0.18 -0.00 0.00 2.06 0.00 0.00 58.89 60.77 2bln h TRP 67 Cb 0.96 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 29.05 2bln h TRP 67 CO 0.01 0.90 0.10 0.28 -3.56 0.00 0.00 178.44 176.18 2bln h VAL 68 N 0.21 1.08 -0.51 1.49 2.07 -0.61 0.93 116.25 120.90 2bln h VAL 68 Ca -0.02 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 2bln h VAL 68 Cb 1.26 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 2bln h VAL 68 CO 0.11 0.08 0.29 -0.08 0.02 0.00 0.00 177.57 177.99 2bln h GLU 69 N 0.20 0.70 -0.13 1.57 4.81 -0.87 -0.66 114.58 120.20 2bln h GLU 69 Ca 0.06 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2bln h GLU 69 Cb 0.03 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 2bln h GLU 69 CO -0.01 0.54 0.07 0.00 -0.73 0.00 0.00 179.01 178.88 2bln h ARG 70 N 0.68 0.18 -0.74 1.92 2.47 -0.78 -1.45 114.38 116.68 2bln h ARG 70 Ca 0.18 -0.02 0.02 0.00 -1.26 0.00 0.00 59.98 58.90 2bln h ARG 70 Cb 0.03 -0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 28.27 2bln h ARG 70 CO -0.03 0.21 0.47 0.82 0.56 0.00 0.00 179.97 182.00 2bln h ILE 71 N 0.11 1.13 -0.90 2.04 2.04 -0.62 -2.07 117.51 119.24 2bln h ILE 71 Ca 0.05 -0.32 0.05 0.00 1.00 0.00 0.00 64.86 65.64 2bln h ILE 71 Cb 0.08 0.12 -0.06 0.00 -0.74 0.00 0.00 36.82 36.22 2bln h ILE 71 CO -0.01 0.17 0.57 0.00 0.00 0.00 0.00 178.15 178.89 2bln h ALA 72 N 1.30 1.22 0.00 1.87 0.00 -0.73 -1.55 119.26 121.37 2bln h ALA 72 Ca 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2bln h ALA 72 Cb -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.49 2bln h ALA 72 CO -0.10 0.37 0.00 1.96 0.00 0.00 0.00 179.25 181.48 2bln h GLN 73 N 1.07 0.00 0.00 0.00 4.20 -0.57 -1.45 115.11 118.36 2bln h GLN 73 Ca 0.38 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.09 2bln h GLN 73 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 2bln h GLN 73 CO -0.15 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.29 2bln n LEU 74 N -2.87 0.00 -3.67 1.46 4.77 -0.59 -4.96 117.00 111.14 2bln n LEU 74 Ca 0.01 0.45 -0.23 0.00 -0.03 0.00 0.00 56.01 56.21 2bln n LEU 74 Cb 0.26 -0.45 0.05 0.00 -2.33 0.00 0.00 43.42 40.95 2bln n LEU 74 CO 0.24 -0.04 0.07 -1.20 -1.33 0.00 0.00 177.39 175.14 2bln n SER 75 N -1.45 -3.13 -4.77 -1.43 7.64 -0.55 -4.92 113.62 105.01 2bln n SER 75 Ca 0.08 -0.72 -0.41 0.00 1.01 0.00 0.00 58.87 58.84 2bln n SER 75 Cb 0.29 -4.44 -0.01 0.00 -1.01 0.00 0.00 64.21 59.04 2bln n SER 75 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2bln s PRO 76 N -6.05 4.25 0.14 1.43 0.04 -1.26 -4.87 135.00 128.69 2bln s PRO 76 Ca 0.26 2.37 -0.06 0.00 0.04 0.00 0.00 61.00 63.60 2bln s PRO 76 Cb -0.12 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.34 2bln s PRO 76 CO 0.78 -0.34 1.36 -0.44 0.04 0.00 0.00 177.00 178.41 2bln h ASP 77 N 3.32 0.66 -5.02 6.66 3.32 -1.17 -3.37 116.42 120.81 2bln h ASP 77 Ca -0.50 -0.45 -0.12 0.00 0.02 0.00 0.00 57.03 55.99 2bln h ASP 77 Cb 1.23 -0.20 -0.19 0.00 0.22 0.00 0.00 39.33 40.39 2bln h ASP 77 CO 0.66 1.22 -0.35 0.54 -1.72 0.00 0.00 179.24 179.58 2bln s VAL 78 N -3.60 0.08 -0.01 -1.35 0.11 -1.08 -0.67 120.40 113.87 2bln s VAL 78 Ca -0.07 -0.66 0.08 0.00 -2.93 0.00 0.00 61.98 58.39 2bln s VAL 78 Cb 0.09 -0.69 -0.02 0.00 -1.53 0.00 0.00 36.38 34.23 2bln s VAL 78 CO 0.87 -0.37 -0.25 -0.63 -3.33 0.00 0.00 175.10 171.40 2bln s ILE 79 N -1.82 2.18 0.04 7.04 1.01 -0.42 -2.96 121.20 126.28 2bln s ILE 79 Ca -0.11 -1.11 0.07 0.00 0.00 0.00 0.00 60.65 59.51 2bln s ILE 79 Cb -0.04 -1.78 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 2bln s ILE 79 CO 0.01 0.55 -0.20 -0.36 0.00 0.00 0.00 174.94 174.93 2bln s PHE 80 N -0.66 1.79 -0.12 3.97 0.08 -1.04 -0.89 117.98 121.13 2bln s PHE 80 Ca 0.10 -0.38 0.03 0.00 0.12 0.00 0.00 56.93 56.81 2bln s PHE 80 Cb -0.10 -1.07 0.01 0.00 -0.57 0.00 0.00 43.02 41.29 2bln s PHE 80 CO -0.00 0.09 -0.20 0.45 -0.10 0.00 0.00 175.22 175.46 2bln s SER 81 N -1.19 2.82 -0.51 1.36 0.15 0.15 -0.66 113.70 115.81 2bln s SER 81 Ca 0.07 -0.52 0.03 0.00 0.70 0.00 0.00 55.95 56.23 2bln s SER 81 Cb -0.09 -1.29 0.15 0.00 -1.71 0.00 0.00 66.02 63.08 2bln s SER 81 CO 0.02 0.08 0.33 -0.36 1.20 0.00 0.00 173.24 174.51 2bln s PHE 82 N 0.73 2.36 -1.17 3.44 0.08 0.38 -1.62 117.98 122.18 2bln s PHE 82 Ca -0.11 -2.72 0.00 0.00 0.12 0.00 0.00 56.93 54.22 2bln s PHE 82 Cb -0.16 -2.02 0.00 0.00 -0.57 0.00 0.00 43.02 40.27 2bln s PHE 82 CO 0.01 -0.72 0.00 0.66 -0.10 0.00 0.00 175.22 175.07 2bln n TYR 83 N 2.95 -0.17 -2.04 0.36 4.02 -1.26 -1.86 117.16 119.17 2bln n TYR 83 Ca 0.15 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.64 2bln n TYR 83 Cb 0.37 -2.32 -0.01 0.00 -0.02 0.00 0.00 39.34 37.35 2bln n TYR 83 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 2bln s TYR 84 N -2.48 2.91 -0.17 -0.72 5.04 -1.26 -4.13 117.35 116.54 2bln s TYR 84 Ca 0.00 1.36 0.22 0.00 -2.44 0.00 0.00 57.07 56.21 2bln s TYR 84 Cb 0.00 -3.76 -0.10 0.00 0.35 0.00 0.00 41.96 38.45 2bln s TYR 84 CO 0.00 -2.15 0.86 0.54 -1.34 0.00 0.00 175.55 173.46 2bln n ARG 85 N 0.63 0.62 -4.25 4.97 1.74 -1.26 -4.92 116.66 114.19 2bln n ARG 85 Ca 0.01 0.05 -0.35 0.00 -0.77 0.00 0.00 57.85 56.79 2bln n ARG 85 Cb 0.41 -1.74 -0.08 0.00 -1.02 0.00 0.00 32.46 30.03 2bln n ARG 85 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2bln s HIS 86 N -3.34 3.24 0.32 -1.55 3.76 -1.26 -5.06 115.29 111.40 2bln s HIS 86 Ca -0.03 0.24 -0.29 0.00 -0.15 0.00 0.00 55.06 54.83 2bln s HIS 86 Cb 0.10 -1.80 -0.12 0.00 1.11 0.00 0.00 32.58 31.88 2bln s HIS 86 CO 0.82 0.53 1.46 1.28 -0.85 0.00 0.00 174.74 177.98 2bln n LEU 87 N 1.91 4.08 -4.49 0.89 4.77 -1.26 -4.97 117.00 117.93 2bln n LEU 87 Ca -0.18 1.18 -0.35 0.00 -0.03 0.00 0.00 56.01 56.63 2bln n LEU 87 Cb 0.54 -1.55 -0.12 0.00 -2.33 0.00 0.00 43.42 39.96 2bln n LEU 87 CO 0.31 -0.10 -0.30 -0.63 -1.33 0.00 0.00 177.39 175.34 2bln s ILE 88 N -0.58 4.26 0.71 -0.08 1.01 -1.26 -4.90 121.20 120.36 2bln s ILE 88 Ca 0.60 -0.20 -0.13 0.00 0.00 0.00 0.00 60.65 60.91 2bln s ILE 88 Cb -0.53 -2.95 0.02 0.00 0.01 0.00 0.00 42.46 39.02 2bln s ILE 88 CO 0.56 0.41 1.11 -0.31 0.00 0.00 0.00 174.94 176.71 2bln s TYR 89 N 1.05 2.57 0.45 3.97 2.02 -1.26 -4.78 117.35 121.36 2bln s TYR 89 Ca 0.03 1.56 0.17 0.00 -0.37 0.00 0.00 57.07 58.46 2bln s TYR 89 Cb -0.14 -3.14 1.12 0.00 -0.40 0.00 0.00 41.96 39.40 2bln s TYR 89 CO 0.02 -1.78 1.94 -0.44 -1.57 0.00 0.00 175.55 173.73 2bln h ASP 90 N -0.44 0.30 -0.80 2.29 3.32 -1.97 -0.71 116.42 118.41 2bln h ASP 90 Ca -0.46 0.02 0.14 0.00 0.02 0.00 0.00 57.03 56.75 2bln h ASP 90 Cb 1.24 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 40.69 2bln h ASP 90 CO 0.53 0.16 0.53 -0.33 -1.72 0.00 0.00 179.24 178.41 2bln h GLU 91 N 0.33 0.53 0.03 3.56 3.07 -1.99 -0.43 114.58 119.68 2bln h GLU 91 Ca 0.33 -0.03 -0.10 0.00 -0.50 0.00 0.00 59.36 59.06 2bln h GLU 91 Cb 0.84 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.63 2bln h GLU 91 CO -0.09 0.35 -0.51 0.82 -1.40 0.00 0.00 179.01 178.19 2bln h ILE 92 N 0.55 1.51 -0.62 3.13 2.04 -1.50 -3.38 117.51 119.23 2bln h ILE 92 Ca 0.39 -2.35 0.01 0.00 1.00 0.00 0.00 64.86 63.92 2bln h ILE 92 Cb 0.74 3.07 -0.03 0.00 -0.74 0.00 0.00 36.82 39.86 2bln h ILE 92 CO -0.15 0.57 0.41 -0.07 0.00 0.00 0.00 178.15 178.92 2bln h LEU 93 N -0.84 0.69 0.00 1.44 3.38 -0.93 -1.75 115.31 117.30 2bln h LEU 93 Ca -0.12 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2bln h LEU 93 Cb 1.23 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2bln h LEU 93 CO -0.01 0.50 0.00 0.00 0.09 0.00 0.00 178.44 179.01 2bln n GLN 94 N -4.45 0.42 0.22 1.13 10.64 -0.21 -3.27 117.38 121.86 2bln n GLN 94 Ca 0.07 0.05 0.10 0.00 -1.83 0.00 0.00 57.00 55.39 2bln n GLN 94 Cb 0.07 -1.50 0.39 0.00 -0.86 0.00 0.00 30.24 28.34 2bln n GLN 94 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 2bln h LEU 95 N 0.00 0.00 -8.83 2.61 3.38 -1.49 -3.43 115.31 107.55 2bln h LEU 95 Ca 0.00 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.32 2bln h LEU 95 Cb 0.17 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 40.75 2bln h LEU 95 CO 0.00 0.23 -0.36 0.00 0.09 0.00 0.00 178.44 178.39 2bln s ALA 96 N -3.52 3.52 0.43 1.53 0.00 -1.20 -4.82 121.76 117.70 2bln s ALA 96 Ca 0.02 -1.10 0.09 0.00 0.00 0.00 0.00 51.96 50.97 2bln s ALA 96 Cb 0.09 -2.68 0.94 0.00 0.00 0.00 0.00 23.12 21.47 2bln s ALA 96 CO 0.65 -0.81 2.07 -1.35 0.00 0.00 0.00 175.76 176.32 2bln h PRO 97 N 8.37 0.42 -0.12 0.00 0.11 -1.69 -1.14 132.00 137.95 2bln h PRO 97 Ca -0.32 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2bln h PRO 97 Cb 1.16 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2bln h PRO 97 CO 0.63 0.29 0.00 0.00 -0.21 0.00 0.00 178.00 178.71 2bln n ALA 98 N -2.49 2.54 0.00 -0.75 0.00 0.15 -5.04 120.51 114.92 2bln n ALA 98 Ca 0.02 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.00 2bln n ALA 98 Cb 0.07 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.39 2bln n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bln n GLY 99 N 1.10 -1.74 2.86 0.00 0.00 -0.43 -4.92 105.19 102.07 2bln n GLY 99 Ca 0.17 -1.64 -0.13 0.00 0.00 0.00 0.00 46.02 44.42 2bln n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bln s ALA 100 N -1.45 -0.01 0.06 4.61 0.00 -1.26 -1.31 121.76 122.40 2bln s ALA 100 Ca 0.00 0.10 0.05 0.00 0.00 0.00 0.00 51.96 52.11 2bln s ALA 100 Cb 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 2bln s ALA 100 CO 0.00 -0.03 -0.13 -0.06 0.00 0.00 0.00 175.76 175.54 2bln s PHE 101 N 0.25 1.13 0.04 0.00 0.08 -0.07 -0.62 117.98 118.80 2bln s PHE 101 Ca -0.02 -0.42 0.05 0.00 0.12 0.00 0.00 56.93 56.66 2bln s PHE 101 Cb -0.03 -0.65 -0.02 0.00 -0.57 0.00 0.00 43.02 41.75 2bln s PHE 101 CO -0.01 0.03 -0.16 1.21 -0.10 0.00 0.00 175.22 176.20 2bln s ASN 102 N -1.49 1.84 -0.31 1.36 3.84 0.20 -0.68 114.94 119.70 2bln s ASN 102 Ca -0.02 -0.46 -0.09 0.00 0.21 0.00 0.00 52.86 52.51 2bln s ASN 102 Cb -0.09 -0.13 -0.00 0.00 -0.55 0.00 0.00 41.25 40.47 2bln s ASN 102 CO 0.02 0.07 0.14 -0.22 -2.79 0.00 0.00 177.10 174.31 2bln s LEU 103 N -1.09 4.05 -0.07 3.21 2.96 -0.64 -1.37 118.68 125.73 2bln s LEU 103 Ca 0.03 -0.56 0.04 0.00 -0.22 0.00 0.00 54.13 53.42 2bln s LEU 103 Cb -0.08 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.62 2bln s LEU 103 CO 0.01 -0.19 -0.17 -2.28 -1.32 0.00 0.00 176.35 172.40 2bln s HIS 104 N 1.59 2.64 -0.28 5.38 5.65 0.12 -4.33 115.29 126.05 2bln s HIS 104 Ca 0.04 -0.40 -0.05 0.00 0.25 0.00 0.00 55.06 54.90 2bln s HIS 104 Cb -0.17 -1.66 -0.11 0.00 -1.18 0.00 0.00 32.58 29.46 2bln s HIS 104 CO 0.05 -0.00 3.21 0.41 -0.65 0.00 0.00 174.74 177.77 2bln n GLY 105 N 2.72 3.67 3.67 1.59 0.00 -1.26 -0.82 105.19 114.76 2bln n GLY 105 Ca -0.17 -1.53 -0.10 0.00 0.00 0.00 0.00 46.02 44.22 2bln n GLY 105 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bln s SER 106 N 1.27 0.15 -1.30 1.61 1.04 -0.49 -4.42 113.70 111.57 2bln s SER 106 Ca 0.63 -1.07 -0.14 0.00 0.48 0.00 0.00 55.95 55.85 2bln s SER 106 Cb 0.34 0.71 0.12 0.00 0.10 0.00 0.00 66.02 67.28 2bln s SER 106 CO -0.10 -1.37 1.76 0.18 0.98 0.00 0.00 173.24 174.69 2bln n LEU 107 N -0.48 5.74 -4.62 2.42 4.77 -1.26 -3.32 117.00 120.25 2bln n LEU 107 Ca -0.03 -4.28 -0.41 0.00 -0.03 0.00 0.00 56.01 51.26 2bln n LEU 107 Cb 0.61 -1.64 0.01 0.00 -2.33 0.00 0.00 43.42 40.07 2bln n LEU 107 CO 0.24 0.76 0.61 0.18 -1.33 0.00 0.00 177.39 177.85 2bln n LEU 108 N 6.18 2.78 -0.22 2.23 4.77 -1.26 -1.54 117.00 129.94 2bln n LEU 108 Ca 0.44 1.03 0.10 0.00 -0.03 0.00 0.00 56.01 57.55 2bln n LEU 108 Cb 0.42 -1.37 0.50 0.00 -2.33 0.00 0.00 43.42 40.64 2bln n LEU 108 CO 0.76 -1.42 0.83 -0.81 -1.33 0.00 0.00 177.39 175.43 2bln n PRO 109 N 0.10 1.29 -2.54 3.23 -0.04 -1.26 -5.05 135.00 130.72 2bln n PRO 109 Ca 0.09 -0.43 -0.37 0.00 -0.04 0.00 0.00 63.50 62.75 2bln n PRO 109 Cb 0.39 -1.34 -0.04 0.00 -0.04 0.00 0.00 33.50 32.47 2bln n PRO 109 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2bln s LYS 110 N -1.92 4.22 -1.34 0.54 -0.14 -0.59 -1.85 119.74 118.66 2bln s LYS 110 Ca 0.30 1.54 -0.09 0.00 -1.36 0.00 0.00 55.97 56.37 2bln s LYS 110 Cb 0.15 -2.61 0.01 0.00 -1.68 0.00 0.00 37.83 33.70 2bln s LYS 110 CO 0.24 -0.09 1.12 0.66 -0.76 0.00 0.00 175.35 176.52 2bln n TYR 111 N 0.07 -2.77 -1.02 3.18 4.01 -0.95 -4.13 117.16 115.54 2bln n TYR 111 Ca 0.04 0.96 -0.33 0.00 -0.16 0.00 0.00 57.90 58.41 2bln n TYR 111 Cb 0.49 -4.92 0.13 0.00 -0.31 0.00 0.00 39.34 34.73 2bln n TYR 111 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2bln n ARG 112 N -4.85 0.05 0.00 -0.72 1.74 0.09 -4.74 116.66 108.23 2bln n ARG 112 Ca 0.00 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 2bln n ARG 112 Cb 0.56 -2.29 0.00 0.00 -1.02 0.00 0.00 32.46 29.71 2bln n ARG 112 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2bln n GLY 113 N 0.75 -0.35 3.87 -0.13 0.00 -1.26 -1.15 105.19 106.92 2bln n GLY 113 Ca 0.12 -1.74 -0.31 0.00 0.00 0.00 0.00 46.02 44.09 2bln n GLY 113 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bln s ARG 114 N 0.00 3.83 -1.48 1.61 1.81 -0.32 -4.47 118.95 119.94 2bln s ARG 114 Ca 0.00 0.50 -0.07 0.00 -1.72 0.00 0.00 55.73 54.44 2bln s ARG 114 Cb 0.00 -2.42 0.05 0.00 -0.45 0.00 0.00 34.95 32.13 2bln s ARG 114 CO 0.00 0.03 0.65 0.00 -0.68 0.00 0.00 175.30 175.30 2bln n ALA 115 N -1.01 -1.71 0.26 2.13 0.00 -1.26 -4.60 120.51 114.31 2bln n ALA 115 Ca 0.02 -0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.46 2bln n ALA 115 Cb 0.54 -2.56 0.72 0.00 0.00 0.00 0.00 19.45 18.15 2bln n ALA 115 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2bln h PRO 116 N -1.82 0.00 -0.24 0.00 0.13 -1.85 -1.40 132.00 126.81 2bln h PRO 116 Ca -0.61 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.57 2bln h PRO 116 Cb 1.37 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.45 2bln h PRO 116 CO 0.66 0.07 -0.09 1.25 -0.23 0.00 0.00 178.00 179.66 2bln h LEU 117 N 0.00 -0.31 0.02 1.56 5.85 -1.89 -2.24 115.31 118.29 2bln h LEU 117 Ca -0.00 0.08 -0.26 0.00 0.84 0.00 0.00 57.88 58.55 2bln h LEU 117 Cb 0.16 0.19 0.02 0.00 0.37 0.00 0.00 40.66 41.39 2bln h LEU 117 CO 0.01 -0.12 -1.01 0.78 -0.34 0.00 0.00 178.44 177.76 2bln h ASN 118 N -0.05 0.86 -0.48 1.25 4.21 -1.59 -3.27 115.58 116.51 2bln h ASN 118 Ca 0.12 -0.75 -0.07 0.00 1.21 0.00 0.00 56.30 56.81 2bln h ASN 118 Cb 0.23 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 37.15 2bln h ASN 118 CO -0.28 1.50 0.07 -0.50 -1.29 0.00 0.00 177.43 176.93 2bln h TRP 119 N 0.30 0.91 -0.21 1.19 4.06 -1.26 -0.35 115.95 120.59 2bln h TRP 119 Ca -0.13 -0.11 -0.06 0.00 2.06 0.00 0.00 58.89 60.65 2bln h TRP 119 Cb 1.67 -0.26 -0.01 0.00 -1.00 0.00 0.00 29.16 29.56 2bln h TRP 119 CO 0.11 0.80 -0.11 -0.39 -3.56 0.00 0.00 178.44 175.29 2bln h VAL 120 N 0.82 1.20 -0.08 1.49 -1.51 -1.49 -1.50 116.25 115.17 2bln h VAL 120 Ca 0.17 -0.85 -0.04 0.00 -1.23 0.00 0.00 66.70 64.75 2bln h VAL 120 Cb 0.39 1.16 -0.00 0.00 -2.13 0.00 0.00 31.29 30.71 2bln h VAL 120 CO 0.01 0.27 -0.12 -0.07 -1.23 0.00 0.00 177.57 176.44 2bln h LEU 121 N 0.32 0.25 -0.81 4.19 3.38 -1.48 -1.17 115.31 119.99 2bln h LEU 121 Ca 0.07 -0.52 0.17 0.00 0.09 0.00 0.00 57.88 57.68 2bln h LEU 121 Cb 0.40 -0.07 -0.11 0.00 0.09 0.00 0.00 40.66 40.97 2bln h LEU 121 CO 0.02 0.72 0.33 0.58 0.09 0.00 0.00 178.44 180.18 2bln h VAL 122 N -0.22 0.59 -0.04 1.22 2.07 -0.82 -1.39 116.25 117.66 2bln h VAL 122 Ca 0.01 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2bln h VAL 122 Cb 0.66 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2bln h VAL 122 CO 0.03 0.08 0.00 0.59 0.02 0.00 0.00 177.57 178.29 2bln n ASN 123 N -5.02 0.98 -1.42 0.57 3.02 -0.59 -4.62 115.26 108.19 2bln n ASN 123 Ca 0.17 -1.40 -0.12 0.00 -0.03 0.00 0.00 54.58 53.20 2bln n ASN 123 Cb 0.50 -0.02 -0.00 0.00 -0.61 0.00 0.00 39.78 39.64 2bln n ASN 123 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bln n GLY 124 N 1.08 -0.13 3.75 7.41 0.00 -0.52 -4.98 105.19 111.79 2bln n GLY 124 Ca 0.19 -0.36 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 2bln n GLY 124 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bln s GLU 125 N -4.64 2.80 0.00 1.61 0.41 -0.48 -4.93 118.70 113.48 2bln s GLU 125 Ca 0.01 1.81 0.18 0.00 -0.41 0.00 0.00 54.97 56.56 2bln s GLU 125 Cb -0.00 -1.91 0.02 0.00 -1.78 0.00 0.00 34.13 30.46 2bln s GLU 125 CO 0.01 -1.33 0.95 0.25 -0.49 0.00 0.00 175.26 174.65 2bln n THR 126 N -1.83 0.00 -3.90 3.63 -2.24 -1.26 -4.81 114.28 103.87 2bln n THR 126 Ca 0.14 -0.35 -0.10 0.00 -2.27 0.00 0.00 64.05 61.47 2bln n THR 126 Cb 0.50 1.24 -0.09 0.00 -2.10 0.00 0.00 70.33 69.88 2bln n THR 126 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2bln s GLU 127 N -1.96 0.57 0.00 -0.78 2.02 -1.26 -0.82 118.70 116.48 2bln s GLU 127 Ca 0.16 -0.64 0.00 0.00 0.02 0.00 0.00 54.97 54.51 2bln s GLU 127 Cb 0.15 0.23 0.00 0.00 0.10 0.00 0.00 34.13 34.61 2bln s GLU 127 CO 0.41 -0.15 0.00 -2.37 0.02 0.00 0.00 175.26 173.17 2bln n THR 128 N 0.94 0.00 -3.31 3.63 5.66 -0.39 -4.86 114.28 115.96 2bln n THR 128 Ca -0.20 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 2bln n THR 128 Cb 0.58 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.36 2bln n THR 128 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2bln n GLY 129 N 0.00 -1.34 3.22 1.09 0.00 -1.26 -0.67 105.19 106.23 2bln n GLY 129 Ca 0.00 -1.01 -0.22 0.00 0.00 0.00 0.00 46.02 44.80 2bln n GLY 129 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2bln s VAL 130 N -2.95 1.43 -0.03 1.61 -7.23 -0.38 -1.40 120.40 111.46 2bln s VAL 130 Ca 0.00 -1.32 0.02 0.00 -1.81 0.00 0.00 61.98 58.87 2bln s VAL 130 Cb 0.00 -1.31 0.01 0.00 0.56 0.00 0.00 36.38 35.64 2bln s VAL 130 CO 0.00 -0.05 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.78 2bln s THR 131 N -1.08 0.65 -0.18 5.32 2.01 0.00 -1.30 115.64 121.07 2bln s THR 131 Ca 0.03 -0.28 -0.06 0.00 0.31 0.00 0.00 61.69 61.70 2bln s THR 131 Cb -0.09 -0.60 -0.03 0.00 0.01 0.00 0.00 72.50 71.79 2bln s THR 131 CO 0.03 0.22 0.02 -0.22 -0.69 0.00 0.00 174.62 173.97 2bln s LEU 132 N 0.29 3.53 0.06 4.42 2.96 -0.15 -0.70 118.68 129.09 2bln s LEU 132 Ca -0.04 -0.04 -0.05 0.00 -0.22 0.00 0.00 54.13 53.78 2bln s LEU 132 Cb -0.09 -1.88 -0.02 0.00 0.50 0.00 0.00 46.19 44.70 2bln s LEU 132 CO 0.00 0.15 0.09 -1.38 -1.32 0.00 0.00 176.35 173.89 2bln s HIS 133 N 0.50 0.31 0.33 5.38 -3.43 -0.47 -0.89 115.29 117.01 2bln s HIS 133 Ca 0.00 -0.76 -0.29 0.00 -0.80 0.00 0.00 55.06 53.21 2bln s HIS 133 Cb -0.13 -0.21 -0.10 0.00 -1.43 0.00 0.00 32.58 30.71 2bln s HIS 133 CO 0.02 -0.45 1.35 1.03 -2.00 0.00 0.00 174.74 174.69 2bln s ARG 134 N -3.67 4.31 -0.15 -0.38 1.81 0.41 -0.63 118.95 120.65 2bln s ARG 134 Ca 0.04 2.28 -0.19 0.00 -1.72 0.00 0.00 55.73 56.14 2bln s ARG 134 Cb 0.05 -3.06 -0.04 0.00 -0.45 0.00 0.00 34.95 31.45 2bln s ARG 134 CO -0.10 -0.27 0.53 -1.64 -0.68 0.00 0.00 175.30 173.14 2bln s MET 135 N -1.63 4.29 0.21 3.54 -1.94 0.21 -3.34 119.30 120.64 2bln s MET 135 Ca 0.51 0.50 0.02 0.00 -1.71 0.00 0.00 55.69 55.01 2bln s MET 135 Cb -0.41 -3.49 -0.01 0.00 2.01 0.00 0.00 34.83 32.93 2bln s MET 135 CO 0.53 0.01 0.06 1.33 -0.01 0.00 0.00 175.02 176.95 2bln n VAL 136 N 4.06 0.00 -0.20 -6.03 0.24 -1.26 -4.77 118.33 110.37 2bln n VAL 136 Ca -0.05 -1.18 -0.08 0.00 -2.04 0.00 0.00 64.34 60.98 2bln n VAL 136 Cb 0.51 0.40 0.02 0.00 -1.47 0.00 0.00 33.84 33.30 2bln n VAL 136 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 2bln h LYS 137 N 0.00 0.86 -6.37 7.34 3.64 -1.96 -3.41 116.57 116.68 2bln h LYS 137 Ca -0.17 -0.19 -0.54 0.00 -1.27 0.00 0.00 60.65 58.49 2bln h LYS 137 Cb 0.61 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 2bln h LYS 137 CO 0.26 0.79 0.29 0.50 -2.27 0.00 0.00 179.45 179.02 2bln s ARG 138 N -5.40 4.56 0.24 1.90 6.06 -1.26 -4.97 118.95 120.08 2bln s ARG 138 Ca -0.13 1.28 -0.31 0.00 -2.50 0.00 0.00 55.73 54.07 2bln s ARG 138 Cb 0.12 -3.42 -0.13 0.00 0.06 0.00 0.00 34.95 31.58 2bln s ARG 138 CO 0.80 0.09 1.54 0.00 -2.50 0.00 0.00 175.30 175.23 2bln n ALA 139 N 3.43 1.87 -1.93 6.12 0.00 -1.26 -2.81 120.51 125.93 2bln n ALA 139 Ca 0.03 0.40 -0.20 0.00 0.00 0.00 0.00 53.44 53.67 2bln n ALA 139 Cb 0.50 -2.39 -0.05 0.00 0.00 0.00 0.00 19.45 17.52 2bln n ALA 139 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2bln n ASP 140 N 2.62 -5.53 -0.17 0.00 8.00 -1.26 -4.77 116.55 115.43 2bln n ASP 140 Ca 0.12 0.27 0.04 0.00 0.71 0.00 0.00 54.79 55.92 2bln n ASP 140 Cb 0.33 -4.68 0.00 0.00 -0.02 0.00 0.00 41.12 36.75 2bln n ASP 140 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bln n ALA 141 N -0.09 2.66 -1.84 2.24 0.00 -1.12 -4.90 120.51 117.46 2bln n ALA 141 Ca -0.22 -0.40 -0.29 0.00 0.00 0.00 0.00 53.44 52.53 2bln n ALA 141 Cb 0.67 -0.25 0.14 0.00 0.00 0.00 0.00 19.45 20.00 2bln n ALA 141 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2bln s GLY 142 N -1.08 1.67 0.37 0.00 0.00 -1.21 -4.63 107.32 102.44 2bln s GLY 142 Ca 0.06 -0.88 -0.28 0.00 0.00 0.00 0.00 44.72 43.63 2bln s GLY 142 CO 0.18 -0.25 1.40 0.00 0.00 0.00 0.00 173.10 174.43 2bln s ALA 143 N -3.65 3.48 0.03 3.20 0.00 -1.26 -4.42 121.76 119.15 2bln s ALA 143 Ca 0.67 1.42 -0.26 0.00 0.00 0.00 0.00 51.96 53.80 2bln s ALA 143 Cb -0.08 -3.55 -0.05 0.00 0.00 0.00 0.00 23.12 19.44 2bln s ALA 143 CO 0.51 -0.91 0.82 0.42 0.00 0.00 0.00 175.76 176.60 2bln s ILE 144 N -1.15 4.76 -0.08 0.00 1.01 0.06 -0.45 121.20 125.35 2bln s ILE 144 Ca 0.53 1.73 0.11 0.00 0.00 0.00 0.00 60.65 63.02 2bln s ILE 144 Cb -0.43 -4.17 -0.15 0.00 0.01 0.00 0.00 42.46 37.72 2bln s ILE 144 CO 0.58 0.31 0.12 0.52 0.00 0.00 0.00 174.94 176.47 2bln n VAL 145 N 3.09 0.49 -3.56 2.92 0.31 -0.07 -1.20 118.33 120.31 2bln n VAL 145 Ca -0.00 -0.40 -0.17 0.00 -0.01 0.00 0.00 64.34 63.76 2bln n VAL 145 Cb 0.50 -0.37 -0.06 0.00 -0.91 0.00 0.00 33.84 33.00 2bln n VAL 145 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2bln s ALA 146 N -2.47 -1.65 -0.04 3.52 0.00 -1.00 -4.90 121.76 115.22 2bln s ALA 146 Ca -0.05 1.26 -0.14 0.00 0.00 0.00 0.00 51.96 53.03 2bln s ALA 146 Cb 0.05 -0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.11 2bln s ALA 146 CO 0.47 -0.35 0.31 -1.14 0.00 0.00 0.00 175.76 175.05 2bln s GLN 147 N -1.08 0.61 -0.03 0.00 0.74 -1.26 -0.98 119.66 117.66 2bln s GLN 147 Ca -0.10 -0.06 -0.01 0.00 0.05 0.00 0.00 55.36 55.23 2bln s GLN 147 Cb -0.01 0.28 0.03 0.00 1.10 0.00 0.00 33.01 34.41 2bln s GLN 147 CO 0.09 -0.16 0.05 -1.17 -0.55 0.00 0.00 175.29 173.55 2bln s LEU 148 N -1.03 0.51 -0.07 3.68 2.96 -0.42 -5.00 118.68 119.30 2bln s LEU 148 Ca -0.11 0.06 -0.10 0.00 -0.22 0.00 0.00 54.13 53.76 2bln s LEU 148 Cb -0.05 -0.12 -0.05 0.00 0.50 0.00 0.00 46.19 46.48 2bln s LEU 148 CO 0.03 -0.20 0.24 -0.60 -1.32 0.00 0.00 176.35 174.51 2bln s ARG 149 N 1.74 3.63 0.13 1.98 3.52 -1.26 -1.24 118.95 127.44 2bln s ARG 149 Ca -0.00 0.08 0.04 0.00 -0.13 0.00 0.00 55.73 55.72 2bln s ARG 149 Cb -0.12 -3.20 -0.04 0.00 -1.56 0.00 0.00 34.95 30.02 2bln s ARG 149 CO -0.03 0.74 -0.10 0.96 -0.81 0.00 0.00 175.30 176.06 2bln s ILE 150 N -1.05 1.10 0.26 4.11 -4.36 0.15 -4.96 121.20 116.46 2bln s ILE 150 Ca 0.18 -1.92 -0.18 0.00 -0.26 0.00 0.00 60.65 58.47 2bln s ILE 150 Cb -0.14 -1.69 -0.09 0.00 1.25 0.00 0.00 42.46 41.80 2bln s ILE 150 CO 0.08 -0.68 0.73 0.00 0.24 0.00 0.00 174.94 175.31 2bln s ALA 151 N -3.01 3.37 -0.24 2.27 0.00 -1.26 -1.26 121.76 121.62 2bln s ALA 151 Ca 0.13 0.13 -0.08 0.00 0.00 0.00 0.00 51.96 52.14 2bln s ALA 151 Cb 0.01 -2.81 -0.03 0.00 0.00 0.00 0.00 23.12 20.28 2bln s ALA 151 CO 0.00 0.32 0.08 0.42 0.00 0.00 0.00 175.76 176.59 2bln s ILE 152 N -1.69 4.48 0.41 0.00 1.01 0.00 -4.84 121.20 120.58 2bln s ILE 152 Ca 0.47 -0.12 -0.19 0.00 0.00 0.00 0.00 60.65 60.82 2bln s ILE 152 Cb -0.14 -3.09 -0.10 0.00 0.01 0.00 0.00 42.46 39.13 2bln s ILE 152 CO 0.20 0.34 0.90 0.00 0.00 0.00 0.00 174.94 176.38 2bln s ALA 153 N 1.47 3.12 0.57 9.38 0.00 -1.26 -4.72 121.76 130.32 2bln s ALA 153 Ca 0.06 0.27 0.26 0.00 0.00 0.00 0.00 51.96 52.55 2bln s ALA 153 Cb -0.15 -3.04 1.55 0.00 0.00 0.00 0.00 23.12 21.48 2bln s ALA 153 CO 0.04 0.14 2.09 -1.35 0.00 0.00 0.00 175.76 176.68 2bln h PRO 154 N 1.87 0.00 -0.49 0.00 0.11 -1.97 -1.20 132.00 130.31 2bln h PRO 154 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2bln h PRO 154 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2bln h PRO 154 CO 0.62 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.01 2bln n ASP 155 N -4.03 3.57 -4.76 -2.05 5.75 -1.26 -4.93 116.55 108.84 2bln n ASP 155 Ca 0.02 -1.99 -0.39 0.00 -0.01 0.00 0.00 54.79 52.42 2bln n ASP 155 Cb 0.34 -0.32 0.01 0.00 -1.03 0.00 0.00 41.12 40.12 2bln n ASP 155 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 2bln s ASP 156 N -1.34 5.91 0.46 -1.12 1.01 -0.46 -5.03 116.67 116.11 2bln s ASP 156 Ca 0.42 2.79 0.03 0.00 0.71 0.00 0.00 52.55 56.49 2bln s ASP 156 Cb 0.24 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.50 2bln s ASP 156 CO 0.32 -1.14 0.03 0.27 0.21 0.00 0.00 175.17 174.87 2bln s ILE 157 N -1.25 1.15 0.20 0.77 -4.36 -1.26 -4.90 121.20 111.54 2bln s ILE 157 Ca 0.62 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.89 2bln s ILE 157 Cb -0.41 -2.35 0.15 0.00 1.25 0.00 0.00 42.46 41.10 2bln s ILE 157 CO 0.52 0.00 1.70 0.00 0.24 0.00 0.00 174.94 177.40 2bln h ALA 158 N 1.54 0.63 -0.34 2.27 0.00 -1.45 -0.60 119.26 121.31 2bln h ALA 158 Ca -0.42 0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 2bln h ALA 158 Cb 1.29 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 2bln h ALA 158 CO 0.71 -0.33 -0.33 0.97 0.00 0.00 0.00 179.25 180.27 2bln h ILE 159 N 0.22 1.28 -0.36 0.00 6.09 -1.86 0.11 117.51 122.99 2bln h ILE 159 Ca 0.29 -1.48 -0.16 0.00 -1.37 0.00 0.00 64.86 62.14 2bln h ILE 159 Cb 0.43 1.37 -0.01 0.00 0.47 0.00 0.00 36.82 39.08 2bln h ILE 159 CO -0.40 0.49 -0.42 0.71 -3.07 0.00 0.00 178.15 175.46 2bln h THR 160 N 0.64 1.27 -0.29 2.19 1.35 -1.81 -2.03 112.91 114.23 2bln h THR 160 Ca 0.07 -1.60 -0.10 0.00 -0.55 0.00 0.00 66.41 64.23 2bln h THR 160 Cb 0.86 1.44 -0.01 0.00 -1.73 0.00 0.00 68.15 68.71 2bln h THR 160 CO 0.08 0.53 -0.24 0.25 -0.25 0.00 0.00 175.52 175.89 2bln h LEU 161 N 0.72 0.56 -0.34 3.87 5.85 -0.96 -2.17 115.31 122.84 2bln h LEU 161 Ca 0.05 -0.19 0.06 0.00 0.84 0.00 0.00 57.88 58.64 2bln h LEU 161 Cb 1.01 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.84 2bln h LEU 161 CO 0.10 0.79 0.01 -0.74 -0.34 0.00 0.00 178.44 178.26 2bln h HIS 162 N 0.49 0.01 -0.77 1.25 2.76 -0.56 0.83 115.15 119.16 2bln h HIS 162 Ca 0.07 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.22 2bln h HIS 162 Cb 0.68 0.05 -0.03 0.00 1.55 0.00 0.00 27.41 29.65 2bln h HIS 162 CO 0.03 -0.04 0.31 0.45 -1.30 0.00 0.00 177.93 177.38 2bln h HIS 163 N 0.11 1.16 -0.75 5.26 3.86 -1.10 -1.13 115.15 122.57 2bln h HIS 163 Ca 0.16 -0.08 -0.04 0.00 -1.16 0.00 0.00 60.37 59.25 2bln h HIS 163 Cb 0.21 -0.35 -0.03 0.00 1.06 0.00 0.00 27.41 28.30 2bln h HIS 163 CO -0.23 0.88 0.30 0.87 0.86 0.00 0.00 177.93 180.61 2bln h LYS 164 N 1.12 1.13 -0.79 2.45 1.57 -0.73 -1.02 116.57 120.30 2bln h LYS 164 Ca 0.26 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 2bln h LYS 164 Cb 0.20 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 2bln h LYS 164 CO -0.02 0.92 0.32 -0.07 -0.57 0.00 0.00 179.45 180.02 2bln h LEU 165 N 1.09 1.09 -0.41 2.94 3.38 -0.54 -1.17 115.31 121.68 2bln h LEU 165 Ca 0.25 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2bln h LEU 165 Cb 0.21 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2bln h LEU 165 CO -0.02 0.96 0.17 0.00 0.09 0.00 0.00 178.44 179.64 2bln h HIS 167 N 0.51 0.66 -0.60 0.00 -0.00 -0.96 -0.56 115.15 114.21 2bln h HIS 167 Ca 0.14 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.50 2bln h HIS 167 Cb 0.18 -0.22 -0.03 0.00 -0.00 0.00 0.00 27.41 27.35 2bln h HIS 167 CO -0.00 0.38 0.29 0.00 -0.00 0.00 0.00 177.93 178.60 2bln h ALA 168 N 1.25 0.77 -0.76 5.26 0.00 -0.90 -2.04 119.26 122.84 2bln h ALA 168 Ca 0.23 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2bln h ALA 168 Cb 0.01 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 2bln h ALA 168 CO -0.09 0.33 0.50 0.00 0.00 0.00 0.00 179.25 179.99 2bln h ALA 169 N 1.13 0.97 -0.46 0.00 0.00 -0.49 0.24 119.26 120.65 2bln h ALA 169 Ca 0.21 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.08 2bln h ALA 169 Cb 0.11 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2bln h ALA 169 CO -0.03 0.39 0.28 0.00 0.00 0.00 0.00 179.25 179.89 2bln h ARG 170 N 1.03 0.55 -0.12 0.00 3.08 -0.78 -0.31 114.38 117.84 2bln h ARG 170 Ca 0.28 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.29 2bln h ARG 170 Cb -0.12 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 2bln h ARG 170 CO -0.06 0.36 0.07 1.96 -1.07 0.00 0.00 179.97 181.23 2bln h GLN 171 N 0.57 0.16 -0.64 0.04 4.20 -0.98 -0.63 115.11 117.83 2bln h GLN 171 Ca 0.18 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.90 2bln h GLN 171 Cb -0.01 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.70 2bln h GLN 171 CO -0.07 0.17 0.40 1.25 -0.67 0.00 0.00 178.83 179.91 2bln h LEU 172 N 0.11 0.65 -0.45 1.46 6.46 -0.75 -1.85 115.31 120.94 2bln h LEU 172 Ca 0.04 0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.70 2bln h LEU 172 Cb 0.05 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 39.83 2bln h LEU 172 CO -0.01 0.45 -0.14 -0.07 -0.62 0.00 0.00 178.44 178.06 2bln h LEU 173 N 0.78 0.91 -1.33 2.25 3.38 -0.90 -0.48 115.31 119.92 2bln h LEU 173 Ca 0.26 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2bln h LEU 173 Cb 0.02 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 2bln h LEU 173 CO -0.10 1.07 0.31 -0.33 0.09 0.00 0.00 178.44 179.48 2bln h GLU 174 N 0.73 0.77 0.00 1.13 5.08 -0.84 0.58 114.58 122.04 2bln h GLU 174 Ca 0.11 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.24 2bln h GLU 174 Cb 0.69 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 2bln h GLU 174 CO 0.05 0.56 -0.76 1.96 -1.00 0.00 0.00 179.01 179.82 2bln h GLN 175 N 0.78 0.00 0.00 2.33 4.20 -0.97 -3.40 115.11 118.05 2bln h GLN 175 Ca 0.20 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.62 2bln h GLN 175 Cb 0.01 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.74 2bln h GLN 175 CO -0.03 0.76 -2.10 2.41 -0.67 0.00 0.00 178.83 179.20 2bln n THR 176 N -3.51 1.10 -0.26 -0.54 -1.04 -0.22 -4.55 114.28 105.25 2bln n THR 176 Ca -0.00 -0.50 0.06 0.00 -2.04 0.00 0.00 64.05 61.57 2bln n THR 176 Cb 0.77 -1.01 0.29 0.00 -1.82 0.00 0.00 70.33 68.56 2bln n THR 176 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2bln h LEU 177 N 0.00 0.80 -1.21 -4.42 3.38 -1.11 -1.19 115.31 111.56 2bln h LEU 177 Ca -0.43 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 2bln h LEU 177 Cb 1.76 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 42.32 2bln h LEU 177 CO -0.04 0.50 0.41 -0.65 0.09 0.00 0.00 178.44 178.75 2bln h PRO 178 N 0.91 0.94 -0.56 1.13 0.11 -1.80 -1.62 132.00 131.10 2bln h PRO 178 Ca 0.37 -0.09 -0.08 0.00 0.11 0.00 0.00 66.00 66.32 2bln h PRO 178 Cb 0.28 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.17 2bln h PRO 178 CO -0.14 0.67 0.03 0.00 -0.21 0.00 0.00 178.00 178.35 2bln h ALA 179 N 1.49 0.76 -0.56 -0.75 0.00 -1.49 -1.74 119.26 116.96 2bln h ALA 179 Ca 0.25 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2bln h ALA 179 Cb -0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2bln h ALA 179 CO -0.05 0.56 0.21 0.82 0.00 0.00 0.00 179.25 180.80 2bln h ILE 180 N 0.86 1.23 -0.38 0.00 2.04 -1.11 0.22 117.51 120.38 2bln h ILE 180 Ca 0.16 -0.72 -0.00 0.00 1.00 0.00 0.00 64.86 65.30 2bln h ILE 180 Cb 0.50 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 2bln h ILE 180 CO 0.02 0.28 0.22 0.50 0.00 0.00 0.00 178.15 179.17 2bln h LYS 181 N 0.77 0.50 -0.18 2.37 3.64 -0.83 -2.14 116.57 120.71 2bln h LYS 181 Ca 0.19 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2bln h LYS 181 Cb 0.22 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2bln h LYS 181 CO -0.01 0.36 0.00 0.72 -2.27 0.00 0.00 179.45 178.25 2bln n HIS 182 N -4.45 0.21 -1.43 1.91 8.25 -0.70 -4.96 115.22 114.04 2bln n HIS 182 Ca 0.03 -0.10 -0.04 0.00 -0.26 0.00 0.00 57.72 57.34 2bln n HIS 182 Cb 0.08 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.18 2bln n HIS 182 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2bln n GLY 183 N 1.37 0.52 3.53 -1.41 0.00 -0.53 -5.00 105.19 103.67 2bln n GLY 183 Ca 0.17 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 2bln n GLY 183 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bln s ASN 184 N -2.91 6.14 -0.35 1.61 -0.87 0.68 -4.93 114.94 114.30 2bln s ASN 184 Ca 0.00 -0.35 -0.03 0.00 -1.57 0.00 0.00 52.86 50.91 2bln s ASN 184 Cb 0.00 -2.18 0.25 0.00 -0.02 0.00 0.00 41.25 39.30 2bln s ASN 184 CO 0.00 -0.32 1.15 0.00 -2.57 0.00 0.00 177.10 175.36 2bln n ILE 185 N 5.20 0.00 -2.18 0.60 3.06 -1.26 -3.70 119.36 121.07 2bln n ILE 185 Ca -0.10 -0.58 -0.41 0.00 -2.50 0.00 0.00 62.75 59.16 2bln n ILE 185 Cb 0.49 0.95 -0.03 0.00 0.54 0.00 0.00 39.64 41.60 2bln n ILE 185 CO 0.00 0.00 0.00 -0.22 -2.50 0.00 0.00 176.55 173.83 2bln s LEU 186 N 0.23 4.45 0.09 9.51 2.96 -1.26 -5.03 118.68 129.62 2bln s LEU 186 Ca 0.26 2.58 0.06 0.00 -0.22 0.00 0.00 54.13 56.81 2bln s LEU 186 Cb 0.18 -3.64 -0.03 0.00 0.50 0.00 0.00 46.19 43.19 2bln s LEU 186 CO -0.10 -0.47 -0.17 -1.83 -1.32 0.00 0.00 176.35 172.46 2bln s GLU 187 N -1.46 0.96 -0.07 1.98 -1.05 -1.26 -4.50 118.70 113.30 2bln s GLU 187 Ca 0.50 -1.07 0.02 0.00 -0.15 0.00 0.00 54.97 54.26 2bln s GLU 187 Cb -0.38 -1.06 0.02 0.00 -0.44 0.00 0.00 34.13 32.26 2bln s GLU 187 CO 0.49 0.24 -0.11 0.42 0.95 0.00 0.00 175.26 177.24 2bln s ILE 188 N -1.32 1.10 0.46 1.83 -1.09 -0.34 -4.91 121.20 116.92 2bln s ILE 188 Ca 0.03 -0.44 -0.25 0.00 -2.23 0.00 0.00 60.65 57.76 2bln s ILE 188 Cb -0.09 -1.03 -0.08 0.00 -1.58 0.00 0.00 42.46 39.68 2bln s ILE 188 CO 0.03 0.35 1.38 0.00 -1.23 0.00 0.00 174.94 175.48 2bln s ALA 189 N 0.85 3.16 0.54 9.38 0.00 -1.26 -0.76 121.76 133.66 2bln s ALA 189 Ca -0.11 1.38 -0.20 0.00 0.00 0.00 0.00 51.96 53.03 2bln s ALA 189 Cb -0.15 -3.56 -0.05 0.00 0.00 0.00 0.00 23.12 19.35 2bln s ALA 189 CO 0.02 -1.14 1.20 -0.65 0.00 0.00 0.00 175.76 175.18 2bln s GLN 190 N -2.50 3.30 -0.55 0.00 -0.21 -1.26 -4.85 119.66 113.58 2bln s GLN 190 Ca 0.62 1.82 -0.22 0.00 0.02 0.00 0.00 55.36 57.59 2bln s GLN 190 Cb -0.42 -2.12 0.05 0.00 1.00 0.00 0.00 33.01 31.53 2bln s GLN 190 CO 0.53 -0.94 0.85 1.03 -2.12 0.00 0.00 175.29 174.63 2bln s ARG 191 N -3.09 3.23 0.43 2.91 0.52 -1.26 -4.92 118.95 116.78 2bln s ARG 191 Ca 0.72 -0.55 0.11 0.00 -0.52 0.00 0.00 55.73 55.49 2bln s ARG 191 Cb -0.30 -4.10 0.96 0.00 0.52 0.00 0.00 34.95 32.03 2bln s ARG 191 CO 0.34 -1.46 2.03 0.93 0.02 0.00 0.00 175.30 177.16 2bln h GLU 192 N 9.25 0.24 0.00 3.54 4.39 -1.98 -1.18 114.58 128.84 2bln h GLU 192 Ca -0.27 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.40 2bln h GLU 192 Cb 1.08 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.68 2bln h GLU 192 CO 1.07 0.25 -0.01 -2.95 -1.16 0.00 0.00 179.01 176.21 2bln h ASN 193 N 0.24 0.00 0.08 1.42 -1.07 -2.02 -2.47 115.58 111.77 2bln h ASN 193 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.43 2bln h ASN 193 Cb 0.14 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.39 2bln h ASN 193 CO 0.00 0.01 -0.42 -0.62 0.07 0.00 0.00 177.43 176.47 2bln n GLU 194 N -3.15 1.02 -2.31 4.14 1.02 -0.45 -4.99 120.64 115.91 2bln n GLU 194 Ca -0.02 -0.77 -0.38 0.00 -0.02 0.00 0.00 57.16 55.97 2bln n GLU 194 Cb 0.17 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.09 2bln n GLU 194 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2bln s ALA 195 N -2.51 3.17 0.10 0.62 0.00 -0.93 -4.39 121.76 117.81 2bln s ALA 195 Ca 0.20 0.95 0.06 0.00 0.00 0.00 0.00 51.96 53.17 2bln s ALA 195 Cb 0.18 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.90 2bln s ALA 195 CO 0.57 -0.50 -0.15 0.95 0.00 0.00 0.00 175.76 176.63 2bln s THR 196 N -1.41 1.31 -0.05 0.00 -4.23 -0.77 -4.94 115.64 105.54 2bln s THR 196 Ca 0.56 -1.54 -0.05 0.00 -1.18 0.00 0.00 61.69 59.48 2bln s THR 196 Cb -0.30 -1.37 0.02 0.00 1.34 0.00 0.00 72.50 72.19 2bln s THR 196 CO 0.38 -0.29 0.14 0.00 -0.54 0.00 0.00 174.62 174.31 2bln s PHE 198 N 0.18 1.41 0.66 0.00 0.08 -0.30 -4.94 117.98 115.06 2bln s PHE 198 Ca -0.01 -0.41 0.02 0.00 0.12 0.00 0.00 56.93 56.66 2bln s PHE 198 Cb -0.02 -0.81 0.10 0.00 -0.57 0.00 0.00 43.02 41.73 2bln s PHE 198 CO -0.00 0.09 0.91 0.20 -0.10 0.00 0.00 175.22 176.31 2bln s GLY 199 N -1.54 1.77 0.28 4.36 0.00 -1.26 -1.17 107.32 109.76 2bln s GLY 199 Ca 0.02 -1.79 -0.29 0.00 0.00 0.00 0.00 44.72 42.65 2bln s GLY 199 CO 0.02 -1.30 1.24 -2.13 0.00 0.00 0.00 173.10 170.94 2bln n ARG 200 N -2.60 1.82 -4.08 2.90 0.63 -1.26 -4.54 116.66 109.54 2bln n ARG 200 Ca 0.14 0.64 -0.35 0.00 -0.92 0.00 0.00 57.85 57.36 2bln n ARG 200 Cb 0.61 -2.18 -0.08 0.00 0.45 0.00 0.00 32.46 31.25 2bln n ARG 200 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2bln s ARG 201 N -1.24 3.47 0.22 -0.14 0.52 -1.26 -5.09 118.95 115.42 2bln s ARG 201 Ca 0.61 -0.29 0.01 0.00 -0.52 0.00 0.00 55.73 55.54 2bln s ARG 201 Cb -0.65 -3.07 -0.04 0.00 0.52 0.00 0.00 34.95 31.71 2bln s ARG 201 CO 0.57 0.59 0.39 -0.08 0.02 0.00 0.00 175.30 176.79 2bln s THR 202 N -0.53 5.22 0.41 0.02 -1.32 -1.26 -5.02 115.64 113.16 2bln s THR 202 Ca 0.11 -0.54 0.22 0.00 -1.21 0.00 0.00 61.69 60.27 2bln s THR 202 Cb -0.12 -3.77 0.42 0.00 -1.51 0.00 0.00 72.50 67.51 2bln s THR 202 CO 0.02 -0.24 1.74 -0.65 -2.21 0.00 0.00 174.62 173.28 2bln h PRO 203 N 1.71 0.30 0.00 7.08 0.11 -1.99 -2.39 132.00 136.83 2bln h PRO 203 Ca -0.49 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2bln h PRO 203 Cb 1.20 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 2bln h PRO 203 CO 0.66 0.20 -0.03 0.22 -0.21 0.00 0.00 178.00 178.84 2bln h ASP 204 N 0.31 0.00 0.03 -2.05 1.82 -1.95 -2.89 116.42 111.68 2bln h ASP 204 Ca 0.64 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.28 2bln h ASP 204 Cb 1.76 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.77 2bln h ASP 204 CO -0.32 0.03 0.00 0.47 -1.61 0.00 0.00 179.24 177.81 2bln n ASP 205 N -3.79 0.00 -1.60 2.28 10.43 -0.90 -2.42 116.55 120.56 2bln n ASP 205 Ca -0.03 -0.55 0.03 0.00 2.57 0.00 0.00 54.79 56.81 2bln n ASP 205 Cb 0.11 -0.02 0.32 0.00 1.84 0.00 0.00 41.12 43.37 2bln n ASP 205 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 2bln n SER 206 N -1.02 4.74 -4.72 -2.24 7.64 -1.09 -4.97 113.62 111.95 2bln n SER 206 Ca 0.14 -3.11 -0.42 0.00 1.01 0.00 0.00 58.87 56.49 2bln n SER 206 Cb 0.07 -0.66 -0.03 0.00 -1.01 0.00 0.00 64.21 62.58 2bln n SER 206 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2bln s PHE 207 N -2.90 3.24 -0.21 1.43 5.36 -1.01 -1.89 117.98 122.00 2bln s PHE 207 Ca 0.51 1.01 -0.21 0.00 -0.96 0.00 0.00 56.93 57.28 2bln s PHE 207 Cb 0.40 -3.67 -0.02 0.00 -0.34 0.00 0.00 43.02 39.39 2bln s PHE 207 CO 0.12 -2.29 0.66 -0.51 -1.46 0.00 0.00 175.22 171.75 2bln s LEU 208 N 0.78 4.13 -0.36 6.12 1.43 0.17 -4.89 118.68 126.06 2bln s LEU 208 Ca 0.63 0.86 -0.07 0.00 -1.03 0.00 0.00 54.13 54.51 2bln s LEU 208 Cb -0.37 -2.94 0.05 0.00 0.03 0.00 0.00 46.19 42.96 2bln s LEU 208 CO 0.32 -0.32 0.14 -1.61 0.23 0.00 0.00 176.35 175.11 2bln s GLU 209 N 2.12 2.62 0.16 1.70 2.02 -1.26 -4.79 118.70 121.26 2bln s GLU 209 Ca 0.30 -1.23 0.20 0.00 0.02 0.00 0.00 54.97 54.25 2bln s GLU 209 Cb -0.16 -3.53 0.84 0.00 0.10 0.00 0.00 34.13 31.38 2bln s GLU 209 CO 0.10 -0.72 1.61 0.91 0.02 0.00 0.00 175.26 177.17 2bln n TRP 210 N 4.84 0.50 0.36 1.61 7.02 -1.26 -1.78 117.44 128.73 2bln n TRP 210 Ca -0.12 0.20 0.14 0.00 -1.02 0.00 0.00 57.50 56.70 2bln n TRP 210 Cb 0.44 -0.82 0.56 0.00 -2.42 0.00 0.00 31.31 29.08 2bln n TRP 210 CO 0.00 0.00 0.00 1.12 -2.02 0.00 0.00 177.69 176.79 2bln h HIS 211 N 0.00 0.00 -4.30 -5.99 2.07 -1.90 -2.23 115.15 102.80 2bln h HIS 211 Ca 0.00 0.00 -0.49 0.00 -2.85 0.00 0.00 60.37 57.03 2bln h HIS 211 Cb 0.30 0.00 0.11 0.00 2.57 0.00 0.00 27.41 30.39 2bln h HIS 211 CO 0.00 0.00 0.34 0.15 -3.07 0.00 0.00 177.93 175.35 2bln s LYS 212 N -3.44 2.22 0.52 5.12 1.02 -0.73 -3.31 119.74 121.14 2bln s LYS 212 Ca 0.03 0.70 -0.22 0.00 0.02 0.00 0.00 55.97 56.49 2bln s LYS 212 Cb 0.09 -1.93 -0.06 0.00 -0.52 0.00 0.00 37.83 35.42 2bln s LYS 212 CO 0.44 -1.54 1.36 -2.14 -0.92 0.00 0.00 175.35 172.54 2bln s PRO 213 N -5.13 3.27 0.34 -1.68 0.02 -1.26 -0.93 135.00 129.63 2bln s PRO 213 Ca 0.60 2.23 0.07 0.00 0.02 0.00 0.00 61.00 63.93 2bln s PRO 213 Cb -0.14 -2.33 0.77 0.00 0.02 0.00 0.00 34.50 32.81 2bln s PRO 213 CO 0.54 -1.09 1.87 0.00 -0.33 0.00 0.00 177.00 178.00 2bln h ALA 214 N 1.64 1.77 -0.84 -1.55 0.00 -1.36 -1.24 119.26 117.68 2bln h ALA 214 Ca -0.51 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 2bln h ALA 214 Cb 1.29 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 2bln h ALA 214 CO 0.58 -0.00 0.44 0.77 0.00 0.00 0.00 179.25 181.04 2bln h SER 215 N 0.75 1.06 -0.43 0.00 0.02 -1.90 0.37 113.55 113.42 2bln h SER 215 Ca 0.44 -0.11 -0.08 0.00 -0.84 0.00 0.00 61.79 61.20 2bln h SER 215 Cb 0.64 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 2bln h SER 215 CO -0.20 0.87 -0.03 0.58 -1.14 0.00 0.00 176.83 176.91 2bln h VAL 216 N 1.17 1.27 -0.56 2.27 2.07 -1.61 -1.44 116.25 119.42 2bln h VAL 216 Ca 0.29 -1.08 -0.07 0.00 0.82 0.00 0.00 66.70 66.66 2bln h VAL 216 Cb 0.06 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 2bln h VAL 216 CO -0.04 0.37 0.06 -0.07 0.02 0.00 0.00 177.57 177.91 2bln h LEU 217 N 0.62 0.92 -0.66 2.57 3.38 -1.07 -1.95 115.31 119.12 2bln h LEU 217 Ca 0.12 -0.28 0.06 0.00 0.09 0.00 0.00 57.88 57.88 2bln h LEU 217 Cb 0.53 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 2bln h LEU 217 CO 0.03 0.96 0.36 -0.74 0.09 0.00 0.00 178.44 179.13 2bln h HIS 218 N 0.84 0.65 -0.59 1.13 2.76 -0.85 -1.03 115.15 118.05 2bln h HIS 218 Ca 0.17 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.34 2bln h HIS 218 Cb 0.45 -0.19 -0.03 0.00 1.55 0.00 0.00 27.41 29.19 2bln h HIS 218 CO 0.03 0.30 0.27 -0.91 -1.30 0.00 0.00 177.93 176.32 2bln h ASN 219 N 0.65 0.75 -0.53 3.26 2.35 -0.85 -1.24 115.58 119.97 2bln h ASN 219 Ca 0.30 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.92 2bln h ASN 219 Cb 0.22 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 2bln h ASN 219 CO -0.20 0.65 0.13 -0.03 -1.65 0.00 0.00 177.43 176.33 2bln h MET 220 N 0.83 0.85 -0.45 0.81 4.05 -0.62 -0.67 114.93 119.72 2bln h MET 220 Ca 0.20 -0.20 0.03 0.00 -0.28 0.00 0.00 59.70 59.45 2bln h MET 220 Cb 0.10 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 30.76 2bln h MET 220 CO -0.03 0.80 0.25 0.28 0.23 0.00 0.00 176.91 178.45 2bln h VAL 221 N 0.74 1.02 -0.80 -5.77 2.07 -0.66 -2.36 116.25 110.49 2bln h VAL 221 Ca 0.17 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 2bln h VAL 221 Cb 0.34 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 2bln h VAL 221 CO 0.00 0.09 0.36 0.03 0.02 0.00 0.00 177.57 178.08 2bln h ARG 222 N 0.51 1.16 0.00 1.57 3.08 -1.03 -2.14 114.38 117.53 2bln h ARG 222 Ca 0.19 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 2bln h ARG 222 Cb 0.05 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 29.89 2bln h ARG 222 CO -0.10 0.91 -0.13 0.00 -1.07 0.00 0.00 179.97 179.58 2bln h ALA 223 N 1.19 1.74 0.00 0.04 0.00 -0.58 -1.27 119.26 120.39 2bln h ALA 223 Ca 0.27 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 2bln h ALA 223 Cb 0.15 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 17.79 2bln h ALA 223 CO -0.03 0.16 -0.61 1.33 0.00 0.00 0.00 179.25 180.10 2bln n VAL 224 N -4.32 1.11 -0.92 0.00 0.24 -1.12 -4.47 118.33 108.86 2bln n VAL 224 Ca -0.03 -1.90 -0.32 0.00 -2.04 0.00 0.00 64.34 60.05 2bln n VAL 224 Cb 0.20 0.28 0.14 0.00 -1.47 0.00 0.00 33.84 32.99 2bln n VAL 224 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2bln s ALA 225 N -1.65 1.69 0.16 2.33 0.00 -0.81 -0.53 121.76 122.94 2bln s ALA 225 Ca 0.31 0.68 -0.33 0.00 0.00 0.00 0.00 51.96 52.61 2bln s ALA 225 Cb 0.31 -3.46 -0.16 0.00 0.00 0.00 0.00 23.12 19.82 2bln s ALA 225 CO -0.08 -2.49 1.19 -3.47 0.00 0.00 0.00 175.76 170.91 2bln n ASP 226 N -3.78 1.39 -0.71 0.00 2.03 -1.26 -0.66 116.55 113.55 2bln n ASP 226 Ca 0.12 1.14 0.05 0.00 0.52 0.00 0.00 54.79 56.62 2bln n ASP 226 Cb 0.51 -1.21 0.15 0.00 -0.72 0.00 0.00 41.12 39.85 2bln n ASP 226 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2bln n PRO 227 N 1.88 1.96 -1.72 -0.67 -0.04 -1.26 -4.70 135.00 130.44 2bln n PRO 227 Ca 0.16 -1.21 -0.29 0.00 -0.04 0.00 0.00 63.50 62.12 2bln n PRO 227 Cb 0.24 -1.38 0.13 0.00 -0.04 0.00 0.00 33.50 32.45 2bln n PRO 227 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2bln s TRP 228 N -1.61 2.38 -1.13 0.54 0.51 0.16 -4.96 118.94 114.83 2bln s TRP 228 Ca 0.22 0.69 0.26 0.00 -2.12 0.00 0.00 56.10 55.15 2bln s TRP 228 Cb 0.13 -3.57 1.17 0.00 -0.81 0.00 0.00 33.47 30.38 2bln s TRP 228 CO 0.13 -2.29 1.84 -2.30 -0.51 0.00 0.00 176.95 173.83 2bln n PRO 229 N -3.66 0.12 0.00 4.98 -0.02 -1.22 -4.71 135.00 130.50 2bln n PRO 229 Ca 0.09 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 2bln n PRO 229 Cb 0.60 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 2bln n PRO 229 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bln n GLY 230 N 1.09 0.31 3.82 -1.23 0.00 0.30 -5.00 105.19 104.48 2bln n GLY 230 Ca 0.08 -1.54 -0.34 0.00 0.00 0.00 0.00 46.02 44.21 2bln n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bln s ALA 231 N -2.46 3.20 0.08 4.61 0.00 -1.25 -4.86 121.76 121.08 2bln s ALA 231 Ca 0.00 0.31 -0.07 0.00 0.00 0.00 0.00 51.96 52.20 2bln s ALA 231 Cb 0.00 -3.02 -0.01 0.00 0.00 0.00 0.00 23.12 20.09 2bln s ALA 231 CO 0.00 0.22 0.13 -0.59 0.00 0.00 0.00 175.76 175.52 2bln s PHE 232 N -1.90 0.25 0.00 0.00 -0.12 -0.79 -0.26 117.98 115.15 2bln s PHE 232 Ca 0.54 -0.70 0.00 0.00 -0.05 0.00 0.00 56.93 56.72 2bln s PHE 232 Cb -0.13 -0.15 0.00 0.00 -0.63 0.00 0.00 43.02 42.12 2bln s PHE 232 CO 0.18 -0.50 0.00 0.45 -0.05 0.00 0.00 175.22 175.30 2bln n SER 233 N 0.01 0.00 -4.00 1.98 2.88 -0.40 -0.66 113.62 113.44 2bln n SER 233 Ca -0.15 -0.63 -0.11 0.00 -1.33 0.00 0.00 58.87 56.65 2bln n SER 233 Cb 0.62 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.96 2bln n SER 233 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 2bln s TYR 234 N -2.30 0.40 -0.43 0.66 2.02 -1.26 -1.15 117.35 115.29 2bln s TYR 234 Ca 0.00 -0.47 0.01 0.00 -0.37 0.00 0.00 57.07 56.24 2bln s TYR 234 Cb 0.00 -0.26 0.12 0.00 -0.40 0.00 0.00 41.96 41.42 2bln s TYR 234 CO 0.00 -0.13 0.19 0.08 -1.57 0.00 0.00 175.55 174.11 2bln s VAL 235 N -1.29 2.79 0.00 0.71 1.01 0.43 -4.88 120.40 119.17 2bln s VAL 235 Ca -0.12 -2.56 0.00 0.00 0.00 0.00 0.00 61.98 59.29 2bln s VAL 235 Cb -0.09 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.34 2bln s VAL 235 CO -0.00 -0.70 0.00 0.61 0.00 0.00 0.00 175.10 175.00 2bln n GLY 236 N 3.99 3.26 0.00 4.51 0.00 -1.26 -1.17 105.19 114.52 2bln n GLY 236 Ca 0.03 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 46.00 2bln n GLY 236 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bln n ASN 237 N 4.75 0.00 -4.50 1.61 5.03 -1.26 -4.73 115.26 116.17 2bln n ASN 237 Ca 0.00 -0.31 -0.43 0.00 0.87 0.00 0.00 54.58 54.72 2bln n ASN 237 Cb 0.00 -0.21 -0.08 0.00 -1.02 0.00 0.00 39.78 38.47 2bln n ASN 237 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 2bln s GLN 238 N -2.41 3.17 0.40 3.52 2.00 -0.32 -5.05 119.66 120.97 2bln s GLN 238 Ca 0.30 -0.63 -0.25 0.00 -2.00 0.00 0.00 55.36 52.77 2bln s GLN 238 Cb 0.18 -3.96 -0.08 0.00 0.80 0.00 0.00 33.01 29.95 2bln s GLN 238 CO 0.38 -0.88 1.19 0.21 -0.50 0.00 0.00 175.29 175.69 2bln s LYS 239 N 2.33 4.04 0.02 1.67 2.20 -1.26 -0.43 119.74 128.30 2bln s LYS 239 Ca 0.15 1.89 -0.01 0.00 -0.36 0.00 0.00 55.97 57.64 2bln s LYS 239 Cb -0.16 -2.69 -0.02 0.00 -1.51 0.00 0.00 37.83 33.45 2bln s LYS 239 CO 0.15 -0.35 0.00 -0.59 -0.36 0.00 0.00 175.35 174.20 2bln s PHE 240 N -1.39 0.23 -0.10 4.03 -0.12 -0.30 -0.18 117.98 120.16 2bln s PHE 240 Ca 0.57 -0.47 -0.03 0.00 -0.05 0.00 0.00 56.93 56.95 2bln s PHE 240 Cb -0.32 -0.17 -0.03 0.00 -0.63 0.00 0.00 43.02 41.87 2bln s PHE 240 CO 0.40 -0.21 0.02 0.99 -0.05 0.00 0.00 175.22 176.37 2bln s THR 241 N -1.51 4.43 -0.39 -4.49 2.01 0.16 -1.27 115.64 114.59 2bln s THR 241 Ca -0.15 -0.19 -0.13 0.00 0.31 0.00 0.00 61.69 61.52 2bln s THR 241 Cb -0.09 -2.89 0.02 0.00 0.01 0.00 0.00 72.50 69.55 2bln s THR 241 CO -0.01 0.59 0.26 -0.69 -0.69 0.00 0.00 174.62 174.08 2bln s VAL 242 N -0.71 4.99 -0.06 3.82 1.01 0.64 -1.42 120.40 128.67 2bln s VAL 242 Ca 0.11 -0.71 0.13 0.00 0.00 0.00 0.00 61.98 61.51 2bln s VAL 242 Cb -0.12 -3.77 -0.17 0.00 0.00 0.00 0.00 36.38 32.32 2bln s VAL 242 CO 0.02 -0.26 0.87 -0.50 0.00 0.00 0.00 175.10 175.23 2bln h TRP 243 N 8.54 0.00 -2.59 5.22 -0.00 -1.27 -3.31 115.95 122.54 2bln h TRP 243 Ca -0.27 0.00 -0.09 0.00 -0.00 0.00 0.00 58.89 58.54 2bln h TRP 243 Cb 1.12 0.00 -0.19 0.00 -0.00 0.00 0.00 29.16 30.08 2bln h TRP 243 CO 0.57 0.82 -0.05 -1.54 -0.00 0.00 0.00 178.44 178.23 2bln s SER 244 N -6.10 -0.41 0.21 -3.49 1.04 -1.07 -4.67 113.70 99.21 2bln s SER 244 Ca -0.03 0.35 -0.10 0.00 0.48 0.00 0.00 55.95 56.65 2bln s SER 244 Cb 0.08 0.42 -0.01 0.00 0.10 0.00 0.00 66.02 66.62 2bln s SER 244 CO 0.81 -0.55 0.36 -0.94 0.98 0.00 0.00 173.24 173.91 2bln s SER 245 N -1.35 -0.02 -0.08 7.02 1.04 -1.26 -0.84 113.70 118.21 2bln s SER 245 Ca -0.11 -0.97 -0.06 0.00 0.48 0.00 0.00 55.95 55.28 2bln s SER 245 Cb -0.02 0.50 0.03 0.00 0.10 0.00 0.00 66.02 66.62 2bln s SER 245 CO 0.06 -1.01 0.21 -0.60 0.98 0.00 0.00 173.24 172.88 2bln s ARG 246 N -4.02 0.22 0.01 4.02 3.52 -0.55 -4.87 118.95 117.28 2bln s ARG 246 Ca 0.23 0.34 -0.26 0.00 -0.13 0.00 0.00 55.73 55.91 2bln s ARG 246 Cb 0.02 0.05 -0.04 0.00 -1.56 0.00 0.00 34.95 33.41 2bln s ARG 246 CO 0.06 -0.06 0.82 0.08 -0.81 0.00 0.00 175.30 175.39 2bln s VAL 247 N 0.41 4.82 -0.43 7.11 1.01 -1.26 -0.32 120.40 131.74 2bln s VAL 247 Ca -0.02 1.74 -0.05 0.00 0.00 0.00 0.00 61.98 63.64 2bln s VAL 247 Cb -0.04 -4.17 0.11 0.00 0.00 0.00 0.00 36.38 32.29 2bln s VAL 247 CO -0.02 0.28 0.26 -1.00 0.00 0.00 0.00 175.10 174.62 2bln s HIS 248 N 0.44 3.53 -0.49 5.22 3.76 -0.04 -4.95 115.29 122.76 2bln s HIS 248 Ca 0.43 -2.24 0.24 0.00 -0.15 0.00 0.00 55.06 53.33 2bln s HIS 248 Cb -0.20 -3.32 0.97 0.00 1.11 0.00 0.00 32.58 31.14 2bln s HIS 248 CO 0.24 -0.98 1.71 -0.35 -0.85 0.00 0.00 174.74 174.51 2bln n PRO 249 N 4.69 0.20 -1.86 8.40 -0.04 -1.26 -0.84 135.00 144.28 2bln n PRO 249 Ca -0.04 0.41 -0.41 0.00 -0.04 0.00 0.00 63.50 63.42 2bln n PRO 249 Cb 0.41 -1.87 -0.01 0.00 -0.04 0.00 0.00 33.50 31.99 2bln n PRO 249 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2bln s HIS 250 N -3.31 2.75 0.24 0.54 3.76 -1.26 -4.10 115.29 113.92 2bln s HIS 250 Ca 0.04 1.06 -0.31 0.00 -0.15 0.00 0.00 55.06 55.70 2bln s HIS 250 Cb 0.09 -3.97 -0.13 0.00 1.11 0.00 0.00 32.58 29.69 2bln s HIS 250 CO 0.40 -3.00 1.56 0.00 -0.85 0.00 0.00 174.74 172.85 2bln n ALA 251 N 1.29 1.99 -2.63 -1.40 0.00 -1.26 -4.12 120.51 114.38 2bln n ALA 251 Ca 0.04 0.40 -0.31 0.00 0.00 0.00 0.00 53.44 53.57 2bln n ALA 251 Cb 0.39 -2.40 -0.09 0.00 0.00 0.00 0.00 19.45 17.35 2bln n ALA 251 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2bln s SER 252 N 0.63 4.76 0.00 0.00 0.15 -1.26 -4.99 113.70 112.98 2bln s SER 252 Ca 0.70 -0.22 0.26 0.00 0.70 0.00 0.00 55.95 57.39 2bln s SER 252 Cb -0.57 -1.08 0.83 0.00 -1.71 0.00 0.00 66.02 63.49 2bln s SER 252 CO 0.44 0.21 1.62 0.29 1.20 0.00 0.00 173.24 177.00 2bln n LYS 253 N 0.90 1.82 -2.48 5.44 5.02 -1.26 -4.93 118.16 122.66 2bln n LYS 253 Ca -0.13 -1.20 -0.33 0.00 -2.02 0.00 0.00 58.31 54.63 2bln n LYS 253 Cb 0.52 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 34.04 2bln n LYS 253 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2bln s ALA 254 N -1.93 2.94 0.33 7.82 0.00 -1.26 -5.01 121.76 124.65 2bln s ALA 254 Ca 0.35 0.41 -0.29 0.00 0.00 0.00 0.00 51.96 52.43 2bln s ALA 254 Cb 0.20 -3.19 -0.10 0.00 0.00 0.00 0.00 23.12 20.03 2bln s ALA 254 CO 0.31 -0.28 1.29 -0.65 0.00 0.00 0.00 175.76 176.44 2bln s GLN 255 N -3.60 4.37 0.23 0.00 1.11 -1.26 -4.89 119.66 115.63 2bln s GLN 255 Ca 0.63 2.19 -0.31 0.00 0.01 0.00 0.00 55.36 57.88 2bln s GLN 255 Cb -0.13 -3.08 -0.14 0.00 -1.01 0.00 0.00 33.01 28.65 2bln s GLN 255 CO 0.24 -0.16 1.30 -2.30 0.01 0.00 0.00 175.29 174.38 2bln n PRO 256 N 0.83 1.76 -0.28 2.91 -0.02 -1.26 -1.06 135.00 137.88 2bln n PRO 256 Ca -0.00 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2bln n PRO 256 Cb 0.42 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 2bln n PRO 256 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bln n GLY 257 N 1.94 1.01 3.75 -1.23 0.00 1.00 -4.82 105.19 106.84 2bln n GLY 257 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 2bln n GLY 257 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2bln s SER 258 N -2.98 7.49 -0.53 1.61 0.15 -0.22 -0.59 113.70 118.63 2bln s SER 258 Ca 0.00 2.08 -0.28 0.00 0.70 0.00 0.00 55.95 58.45 2bln s SER 258 Cb 0.00 -2.62 0.03 0.00 -1.71 0.00 0.00 66.02 61.72 2bln s SER 258 CO 0.00 0.03 1.12 -0.69 1.20 0.00 0.00 173.24 174.90 2bln s VAL 259 N -1.16 4.17 0.12 4.45 1.01 0.27 -0.94 120.40 128.31 2bln s VAL 259 Ca 0.42 0.93 -0.11 0.00 0.00 0.00 0.00 61.98 63.22 2bln s VAL 259 Cb -0.28 -4.64 -0.13 0.00 0.00 0.00 0.00 36.38 31.33 2bln s VAL 259 CO 0.36 -1.16 1.35 0.40 0.00 0.00 0.00 175.10 176.05 2bln h ILE 260 N 6.16 1.28 -3.10 2.22 2.04 -1.20 0.98 117.51 125.89 2bln h ILE 260 Ca -0.24 -1.92 -0.05 0.00 1.00 0.00 0.00 64.86 63.65 2bln h ILE 260 Cb 1.06 1.90 -0.14 0.00 -0.74 0.00 0.00 36.82 38.90 2bln h ILE 260 CO 1.14 0.61 0.02 -0.94 0.00 0.00 0.00 178.15 178.98 2bln s SER 261 N -7.06 -0.37 -0.01 1.72 1.04 -1.19 -4.79 113.70 103.04 2bln s SER 261 Ca -0.10 -0.08 0.11 0.00 0.48 0.00 0.00 55.95 56.36 2bln s SER 261 Cb 0.09 0.50 -0.14 0.00 0.10 0.00 0.00 66.02 66.57 2bln s SER 261 CO 0.90 -0.83 0.40 1.33 0.98 0.00 0.00 173.24 176.02 2bln n VAL 262 N -0.04 0.00 -3.48 5.02 0.24 -1.26 -1.47 118.33 117.34 2bln n VAL 262 Ca -0.17 -0.24 -0.29 0.00 -2.04 0.00 0.00 64.34 61.60 2bln n VAL 262 Cb 0.63 0.74 -0.12 0.00 -1.47 0.00 0.00 33.84 33.62 2bln n VAL 262 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2bln s ALA 263 N -2.32 1.03 0.71 2.33 0.00 -1.26 -2.95 121.76 119.30 2bln s ALA 263 Ca 0.01 -1.93 -0.11 0.00 0.00 0.00 0.00 51.96 49.93 2bln s ALA 263 Cb 0.08 -1.62 0.02 0.00 0.00 0.00 0.00 23.12 21.60 2bln s ALA 263 CO 0.47 -2.10 1.08 -1.25 0.00 0.00 0.00 175.76 173.96 2bln s PRO 264 N 0.98 2.81 -0.36 0.00 0.04 -1.26 -5.08 135.00 132.14 2bln s PRO 264 Ca 0.19 0.66 -0.29 0.00 0.04 0.00 0.00 61.00 61.60 2bln s PRO 264 Cb -0.22 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.33 2bln s PRO 264 CO 0.00 -1.11 1.28 -1.17 0.04 0.00 0.00 177.00 176.04 2bln s LEU 265 N -5.47 3.77 -0.08 -3.56 2.96 -1.15 -4.45 118.68 110.70 2bln s LEU 265 Ca 0.58 0.98 0.01 0.00 -0.22 0.00 0.00 54.13 55.48 2bln s LEU 265 Cb -0.12 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.04 2bln s LEU 265 CO 0.53 -1.18 -0.09 -0.22 -1.32 0.00 0.00 176.35 174.08 2bln s LEU 266 N 4.58 1.41 -0.16 -0.68 2.96 -0.54 -0.58 118.68 125.67 2bln s LEU 266 Ca 0.55 -0.27 -0.01 0.00 -0.22 0.00 0.00 54.13 54.18 2bln s LEU 266 Cb -0.14 -0.77 -0.01 0.00 0.50 0.00 0.00 46.19 45.78 2bln s LEU 266 CO 0.26 -0.04 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.49 2bln s ILE 267 N 1.11 2.89 0.31 6.68 -1.09 -0.13 -0.61 121.20 130.35 2bln s ILE 267 Ca -0.07 -0.69 -0.29 0.00 -2.23 0.00 0.00 60.65 57.37 2bln s ILE 267 Cb -0.14 -2.24 -0.11 0.00 -1.58 0.00 0.00 42.46 38.39 2bln s ILE 267 CO -0.01 0.50 1.45 0.00 -1.23 0.00 0.00 174.94 175.65 2bln s ALA 268 N 0.82 3.60 0.15 9.38 0.00 -0.12 -0.45 121.76 135.15 2bln s ALA 268 Ca -0.04 1.43 0.01 0.00 0.00 0.00 0.00 51.96 53.35 2bln s ALA 268 Cb -0.15 -3.57 0.01 0.00 0.00 0.00 0.00 23.12 19.40 2bln s ALA 268 CO 0.00 -0.85 0.04 0.00 0.00 0.00 0.00 175.76 174.96 2bln h GLY 270 N 0.30 0.00 -6.26 0.00 0.00 -0.38 -3.40 103.07 93.33 2bln h GLY 270 Ca -0.12 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.00 2bln h GLY 270 CO 0.19 0.00 -0.53 -0.35 0.00 0.00 0.00 176.54 175.85 2bln s ASP 271 N -6.41 0.01 0.57 0.19 -1.08 -1.26 -4.87 116.67 103.82 2bln s ASP 271 Ca -0.02 0.49 0.00 0.00 -0.52 0.00 0.00 52.55 52.50 2bln s ASP 271 Cb 0.13 0.44 0.00 0.00 -1.46 0.00 0.00 42.92 42.03 2bln s ASP 271 CO 0.64 -0.19 0.00 0.61 0.52 0.00 0.00 175.17 176.75 2bln n GLY 272 N 4.61 -0.33 3.09 2.66 0.00 -1.26 -1.00 105.19 112.97 2bln n GLY 272 Ca -0.19 -1.06 -0.08 0.00 0.00 0.00 0.00 46.02 44.69 2bln n GLY 272 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bln s ALA 273 N -1.57 0.29 -0.19 4.61 0.00 -0.02 -1.16 121.76 123.72 2bln s ALA 273 Ca 0.00 -0.96 -0.00 0.00 0.00 0.00 0.00 51.96 51.00 2bln s ALA 273 Cb 0.00 0.27 0.01 0.00 0.00 0.00 0.00 23.12 23.41 2bln s ALA 273 CO 0.00 -0.35 -0.16 -1.17 0.00 0.00 0.00 175.76 174.08 2bln s LEU 274 N -2.59 2.34 -0.08 0.00 2.96 0.41 -0.87 118.68 120.85 2bln s LEU 274 Ca 0.02 -0.58 -0.26 0.00 -0.22 0.00 0.00 54.13 53.09 2bln s LEU 274 Cb 0.04 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 45.15 2bln s LEU 274 CO -0.08 -0.00 0.82 -0.70 -1.32 0.00 0.00 176.35 175.07 2bln s GLU 275 N 1.31 4.43 -0.59 1.98 2.12 0.57 -0.96 118.70 127.57 2bln s GLU 275 Ca 0.05 1.07 -0.20 0.00 0.36 0.00 0.00 54.97 56.24 2bln s GLU 275 Cb -0.13 -3.49 0.08 0.00 0.26 0.00 0.00 34.13 30.85 2bln s GLU 275 CO -0.10 -0.09 0.77 0.42 -0.54 0.00 0.00 175.26 175.72 2bln s ILE 276 N 1.27 4.68 -0.01 -3.70 1.01 0.26 -1.48 121.20 123.22 2bln s ILE 276 Ca 0.42 -0.64 -0.20 0.00 0.00 0.00 0.00 60.65 60.23 2bln s ILE 276 Cb -0.18 -4.50 -0.30 0.00 0.01 0.00 0.00 42.46 37.49 2bln s ILE 276 CO 0.19 -1.14 0.99 0.58 0.00 0.00 0.00 174.94 175.56 2bln h VAL 277 N 5.93 1.43 -3.84 2.92 2.07 -1.28 -3.31 116.25 120.17 2bln h VAL 277 Ca -0.29 -2.44 -0.13 0.00 0.82 0.00 0.00 66.70 64.66 2bln h VAL 277 Cb 1.08 2.96 -0.18 0.00 -1.52 0.00 0.00 31.29 33.64 2bln h VAL 277 CO 1.09 0.71 -0.55 0.42 0.02 0.00 0.00 177.57 179.26 2bln s THR 278 N -2.72 0.13 0.00 2.57 -4.23 -1.12 -1.17 115.64 109.10 2bln s THR 278 Ca -0.12 -1.10 -0.00 0.00 -1.18 0.00 0.00 61.69 59.28 2bln s THR 278 Cb 0.03 -0.84 0.00 0.00 1.34 0.00 0.00 72.50 73.03 2bln s THR 278 CO 0.86 -0.61 0.02 0.61 -0.54 0.00 0.00 174.62 174.96 2bln n GLY 279 N 0.86 0.96 3.24 3.99 0.00 -0.51 -0.85 105.19 112.88 2bln n GLY 279 Ca -0.19 -0.88 -0.12 0.00 0.00 0.00 0.00 46.02 44.82 2bln n GLY 279 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2bln s GLN 280 N -2.00 0.72 -0.32 1.61 -2.07 -0.51 -0.73 119.66 116.36 2bln s GLN 280 Ca 0.00 -0.34 -0.14 0.00 -1.82 0.00 0.00 55.36 53.07 2bln s GLN 280 Cb -0.00 0.31 -0.02 0.00 -1.09 0.00 0.00 33.01 32.21 2bln s GLN 280 CO 0.00 -0.21 0.31 0.00 -1.32 0.00 0.00 175.29 174.06 2bln s ALA 281 N -1.86 3.51 0.00 2.60 0.00 -1.26 -0.66 121.76 124.09 2bln s ALA 281 Ca -0.10 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.68 2bln s ALA 281 Cb -0.03 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.37 2bln s ALA 281 CO 0.01 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.27 2bln n GLY 282 N 4.98 3.46 1.38 0.00 0.00 0.75 -1.00 105.19 114.76 2bln n GLY 282 Ca -0.11 -0.16 0.06 0.00 0.00 0.00 0.00 46.02 45.82 2bln n GLY 282 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bln n ASP 283 N 4.03 4.05 -3.51 1.61 8.00 -1.26 -4.83 116.55 124.63 2bln n ASP 283 Ca 0.00 -2.48 -0.25 0.00 0.71 0.00 0.00 54.79 52.77 2bln n ASP 283 Cb 0.00 -0.56 0.19 0.00 -0.02 0.00 0.00 41.12 40.73 2bln n ASP 283 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bln n GLY 284 N 0.75 -1.94 3.85 0.44 0.00 -0.17 -5.03 105.19 103.09 2bln n GLY 284 Ca 0.20 -1.62 -0.31 0.00 0.00 0.00 0.00 46.02 44.29 2bln n GLY 284 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2bln s ILE 285 N -3.13 4.47 0.35 -0.61 -4.36 -1.26 -4.61 121.20 112.04 2bln s ILE 285 Ca 0.62 0.94 -0.28 0.00 -0.26 0.00 0.00 60.65 61.67 2bln s ILE 285 Cb -0.03 -3.71 -0.09 0.00 1.25 0.00 0.00 42.46 39.88 2bln s ILE 285 CO 0.45 -0.92 1.23 -0.89 0.24 0.00 0.00 174.94 175.05 2bln s THR 286 N -2.94 2.95 0.10 8.37 2.01 -1.26 -4.42 115.64 120.46 2bln s THR 286 Ca 0.57 0.90 -0.11 0.00 0.31 0.00 0.00 61.69 63.36 2bln s THR 286 Cb -0.12 -3.55 0.01 0.00 0.01 0.00 0.00 72.50 68.85 2bln s THR 286 CO 0.46 0.17 0.26 -0.04 -0.69 0.00 0.00 174.62 174.78 2bln s MET 287 N -1.93 0.91 0.72 4.92 1.00 0.09 -4.98 119.30 120.04 2bln s MET 287 Ca 0.51 -0.88 -0.14 0.00 0.00 0.00 0.00 55.69 55.19 2bln s MET 287 Cb -0.36 0.38 0.03 0.00 0.00 0.00 0.00 34.83 34.89 2bln s MET 287 CO 0.46 -0.31 1.14 1.14 0.00 0.00 0.00 175.02 177.45 2bln s GLN 288 N -3.84 2.33 0.27 2.03 -2.07 -1.26 -1.43 119.66 115.69 2bln s GLN 288 Ca 0.04 1.51 -0.00 0.00 -1.82 0.00 0.00 55.36 55.09 2bln s GLN 288 Cb 0.04 -1.88 0.49 0.00 -1.09 0.00 0.00 33.01 30.57 2bln s GLN 288 CO -0.11 -1.64 1.85 0.78 -1.32 0.00 0.00 175.29 174.84 2bln h GLY 289 N -0.41 1.58 1.39 2.60 0.00 -1.23 -0.31 103.07 106.67 2bln h GLY 289 Ca -0.46 -0.43 -0.07 0.00 0.00 0.00 0.00 47.33 46.37 2bln h GLY 289 CO 0.51 0.22 0.02 1.48 0.00 0.00 0.00 176.54 178.76 2bln h SER 290 N 1.04 0.72 -0.17 0.19 4.64 -1.83 0.27 113.55 118.40 2bln h SER 290 Ca 0.47 -0.16 -0.18 0.00 -0.47 0.00 0.00 61.79 61.44 2bln h SER 290 Cb 0.37 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2bln h SER 290 CO -0.23 0.78 -0.58 -0.61 -0.87 0.00 0.00 176.83 175.32 2bln h GLN 291 N 0.71 0.77 -0.68 4.77 4.15 -1.64 -2.84 115.11 120.35 2bln h GLN 291 Ca 0.14 -0.51 0.04 0.00 0.77 0.00 0.00 58.65 59.10 2bln h GLN 291 Cb 0.41 0.07 -0.05 0.00 0.21 0.00 0.00 27.48 28.12 2bln h GLN 291 CO 0.02 1.13 0.41 1.25 -1.93 0.00 0.00 178.83 179.70 2bln h LEU 292 N 0.58 0.64 -0.51 -2.39 5.85 -0.69 -0.27 115.31 118.52 2bln h LEU 292 Ca 0.00 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.80 2bln h LEU 292 Cb 1.17 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.03 2bln h LEU 292 CO 0.12 0.43 0.21 0.00 -0.34 0.00 0.00 178.44 178.86 2bln h ALA 293 N 1.32 0.64 -0.58 1.25 0.00 -0.81 -0.68 119.26 120.40 2bln h ALA 293 Ca 0.29 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.18 2bln h ALA 293 Cb 0.11 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2bln h ALA 293 CO -0.14 -0.17 0.09 1.96 0.00 0.00 0.00 179.25 180.99 2bln h GLN 294 N 0.41 0.97 -0.67 0.00 1.08 -1.19 -0.57 115.11 115.14 2bln h GLN 294 Ca 0.24 -0.26 -0.00 0.00 -1.45 0.00 0.00 58.65 57.18 2bln h GLN 294 Cb 0.22 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.50 2bln h GLN 294 CO -0.22 0.92 0.41 1.15 -0.95 0.00 0.00 178.83 180.14 2bln h THR 295 N 0.87 1.19 -0.00 -0.54 2.02 -0.57 -2.16 112.91 113.72 2bln h THR 295 Ca 0.18 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.95 2bln h THR 295 Cb 0.42 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 2bln h THR 295 CO 0.01 0.19 -0.33 0.18 0.37 0.00 0.00 175.52 175.95 2bln n LEU 296 N -4.40 0.40 -0.09 2.58 4.77 -0.31 -4.94 117.00 115.00 2bln n LEU 296 Ca 0.07 0.12 -0.01 0.00 -0.03 0.00 0.00 56.01 56.16 2bln n LEU 296 Cb 0.07 -0.30 -0.00 0.00 -2.33 0.00 0.00 43.42 40.85 2bln n LEU 296 CO 0.37 0.09 -0.01 0.61 -1.33 0.00 0.00 177.39 177.12 2bln n GLY 297 N 1.48 0.42 3.82 -0.72 0.00 -0.67 -5.01 105.19 104.50 2bln n GLY 297 Ca 0.07 -0.98 -0.34 0.00 0.00 0.00 0.00 46.02 44.77 2bln n GLY 297 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bln s LEU 298 N -0.26 4.14 0.25 0.99 1.43 -0.31 -5.02 118.68 119.90 2bln s LEU 298 Ca 0.00 1.57 0.02 0.00 -1.03 0.00 0.00 54.13 54.70 2bln s LEU 298 Cb 0.00 -4.13 -0.05 0.00 0.03 0.00 0.00 46.19 42.04 2bln s LEU 298 CO 0.00 -0.18 0.04 0.68 0.23 0.00 0.00 176.35 177.13 2bln s VAL 299 N -1.88 0.83 0.20 -1.59 -7.23 -1.26 -4.61 120.40 104.87 2bln s VAL 299 Ca 0.54 -2.01 -0.33 0.00 -1.81 0.00 0.00 61.98 58.37 2bln s VAL 299 Cb -0.13 -2.50 -0.13 0.00 0.56 0.00 0.00 36.38 34.18 2bln s VAL 299 CO 0.18 -0.17 1.62 0.00 -0.31 0.00 0.00 175.10 176.42 2bln n GLN 300 N -0.46 2.42 -0.22 4.82 6.02 -1.26 -1.29 117.38 127.41 2bln n GLN 300 Ca -0.03 0.87 0.00 0.00 -0.01 0.00 0.00 57.00 57.83 2bln n GLN 300 Cb 0.65 -2.66 0.00 0.00 1.02 0.00 0.00 30.24 29.25 2bln n GLN 300 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2bln n GLY 301 N 3.39 1.13 3.73 1.08 0.00 0.34 -4.99 105.19 109.87 2bln n GLY 301 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 2bln n GLY 301 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bln s SER 302 N -2.98 4.61 -0.21 1.61 0.01 -0.41 -4.67 113.70 111.66 2bln s SER 302 Ca 0.00 2.61 -0.00 0.00 1.31 0.00 0.00 55.95 59.87 2bln s SER 302 Cb 0.00 -2.62 0.02 0.00 0.21 0.00 0.00 66.02 63.63 2bln s SER 302 CO 0.00 -2.00 -0.14 -0.13 0.41 0.00 0.00 173.24 171.38 2bln s ARG 303 N -3.39 2.98 0.00 12.44 1.81 -1.26 -0.56 118.95 130.97 2bln s ARG 303 Ca 0.82 -0.86 0.27 0.00 -1.72 0.00 0.00 55.73 54.24 2bln s ARG 303 Cb -0.37 -2.75 0.76 0.00 -0.45 0.00 0.00 34.95 32.14 2bln s ARG 303 CO 0.39 -0.27 1.58 1.28 -0.68 0.00 0.00 175.30 177.61