#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dfi n PHE 3 N 0.00 0.09 0.04 1.61 1.16 -1.11 -2.98 117.46 116.27 1dfi n PHE 3 Ca 0.00 -0.05 0.01 0.00 -1.87 0.00 0.00 57.45 55.54 1dfi n PHE 3 Cb 0.00 0.00 0.01 0.00 -1.61 0.00 0.00 39.48 37.88 1dfi n PHE 3 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1dfi n LEU 4 N -0.35 1.28 -4.72 5.98 4.32 -0.22 -4.51 117.00 118.78 1dfi n LEU 4 Ca 0.07 -1.19 -0.42 0.00 -0.02 0.00 0.00 56.01 54.45 1dfi n LEU 4 Cb 0.09 -0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.86 1dfi n LEU 4 CO 0.05 0.31 1.31 -1.20 -1.22 0.00 0.00 177.39 176.64 1dfi n SER 5 N -0.02 3.85 0.00 -1.43 7.64 -0.95 -1.87 113.62 120.85 1dfi n SER 5 Ca 0.01 1.10 0.00 0.00 1.01 0.00 0.00 58.87 60.98 1dfi n SER 5 Cb 0.07 -1.57 0.00 0.00 -1.01 0.00 0.00 64.21 61.71 1dfi n SER 5 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dfi n GLY 6 N 3.24 0.69 3.56 0.23 0.00 -1.25 -4.98 105.19 106.68 1dfi n GLY 6 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1dfi n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dfi s LYS 7 N -0.38 2.62 -0.23 1.61 -0.14 -0.78 -5.02 119.74 117.42 1dfi s LYS 7 Ca 0.00 -0.64 -0.03 0.00 -1.36 0.00 0.00 55.97 53.94 1dfi s LYS 7 Cb 0.00 -2.51 0.01 0.00 -1.68 0.00 0.00 37.83 33.65 1dfi s LYS 7 CO 0.00 0.63 -0.06 1.03 -0.76 0.00 0.00 175.35 176.20 1dfi s ARG 8 N -0.99 3.07 -0.07 1.68 0.52 -1.26 -0.64 118.95 121.26 1dfi s ARG 8 Ca 0.14 -0.82 0.04 0.00 -0.52 0.00 0.00 55.73 54.56 1dfi s ARG 8 Cb -0.11 -2.98 0.00 0.00 0.52 0.00 0.00 34.95 32.39 1dfi s ARG 8 CO 0.03 -0.31 -0.18 0.42 0.02 0.00 0.00 175.30 175.28 1dfi s ILE 9 N 1.39 1.57 -0.13 1.52 -1.09 -0.72 -0.40 121.20 123.34 1dfi s ILE 9 Ca 0.03 -0.76 -0.18 0.00 -2.23 0.00 0.00 60.65 57.50 1dfi s ILE 9 Cb -0.15 -1.37 -0.04 0.00 -1.58 0.00 0.00 42.46 39.32 1dfi s ILE 9 CO -0.05 0.45 0.50 -0.22 -1.23 0.00 0.00 174.94 174.39 1dfi s LEU 10 N 0.28 4.25 -0.17 2.97 2.96 -0.77 -2.75 118.68 125.46 1dfi s LEU 10 Ca -0.11 0.81 0.00 0.00 -0.22 0.00 0.00 54.13 54.61 1dfi s LEU 10 Cb -0.15 -2.72 0.00 0.00 0.50 0.00 0.00 46.19 43.83 1dfi s LEU 10 CO 0.05 -0.04 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.19 1dfi s VAL 11 N 0.83 2.60 0.31 1.68 1.01 -0.51 -0.22 120.40 126.10 1dfi s VAL 11 Ca 0.26 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 61.53 1dfi s VAL 11 Cb -0.15 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 1dfi s VAL 11 CO 0.10 0.51 0.31 0.42 0.00 0.00 0.00 175.10 176.45 1dfi s THR 12 N 0.97 4.01 -0.64 3.92 -4.23 -0.90 -2.42 115.64 116.35 1dfi s THR 12 Ca -0.02 -1.27 0.00 0.00 -1.18 0.00 0.00 61.69 59.21 1dfi s THR 12 Cb -0.15 -3.34 0.00 0.00 1.34 0.00 0.00 72.50 70.35 1dfi s THR 12 CO -0.03 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.44 1dfi n GLY 13 N -1.38 0.78 3.62 3.99 0.00 -1.26 -4.26 105.19 106.68 1dfi n GLY 13 Ca -0.04 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 1dfi n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dfi s VAL 14 N -2.24 4.60 0.00 1.61 1.01 -1.26 -4.54 120.40 119.59 1dfi s VAL 14 Ca 0.00 1.41 0.00 0.00 0.00 0.00 0.00 61.98 63.39 1dfi s VAL 14 Cb 0.00 -4.32 0.00 0.00 0.00 0.00 0.00 36.38 32.06 1dfi s VAL 14 CO 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 175.10 174.65 1dfi n ALA 15 N 6.68 1.69 -3.74 5.51 0.00 -1.26 -4.90 120.51 124.49 1dfi n ALA 15 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.43 1dfi n ALA 15 Cb 0.48 0.02 0.01 0.00 0.00 0.00 0.00 19.45 19.96 1dfi n ALA 15 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1dfi s SER 16 N -1.78 0.04 0.00 0.00 1.04 -1.26 -4.99 113.70 106.75 1dfi s SER 16 Ca 0.00 -1.12 0.28 0.00 0.48 0.00 0.00 55.95 55.59 1dfi s SER 16 Cb 0.00 0.83 1.02 0.00 0.10 0.00 0.00 66.02 67.97 1dfi s SER 16 CO 0.00 -1.63 1.73 2.29 0.98 0.00 0.00 173.24 176.62 1dfi n LYS 17 N -0.52 0.71 0.05 4.02 2.85 -1.26 -3.07 118.16 120.94 1dfi n LYS 17 Ca -0.07 -0.33 0.01 0.00 -1.05 0.00 0.00 58.31 56.87 1dfi n LYS 17 Cb 0.60 -1.49 -0.06 0.00 -0.65 0.00 0.00 35.03 33.42 1dfi n LYS 17 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 1dfi h LEU 18 N 0.79 0.00 -9.75 -5.58 3.38 -1.95 -3.43 115.31 98.76 1dfi h LEU 18 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1dfi h LEU 18 Cb 0.42 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.25 1dfi h LEU 18 CO 0.00 0.52 0.91 -0.94 0.09 0.00 0.00 178.44 179.01 1dfi s SER 19 N -5.81 6.41 0.35 -0.43 1.04 -1.17 -4.73 113.70 109.36 1dfi s SER 19 Ca -0.02 2.89 0.13 0.00 0.48 0.00 0.00 55.95 59.43 1dfi s SER 19 Cb 0.09 -2.62 0.98 0.00 0.10 0.00 0.00 66.02 64.56 1dfi s SER 19 CO 0.80 -0.91 1.74 0.40 0.98 0.00 0.00 173.24 176.26 1dfi h ILE 20 N 3.53 0.52 0.00 -1.02 2.04 -1.90 0.58 117.51 121.27 1dfi h ILE 20 Ca -0.46 -0.17 -0.06 0.00 1.00 0.00 0.00 64.86 65.17 1dfi h ILE 20 Cb 1.21 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 1dfi h ILE 20 CO 0.84 0.09 -0.28 0.00 0.00 0.00 0.00 178.15 178.80 1dfi h ALA 21 N 1.69 1.45 -0.23 1.87 0.00 -1.87 0.56 119.26 122.73 1dfi h ALA 21 Ca 0.63 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 1dfi h ALA 21 Cb 1.35 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1dfi h ALA 21 CO -0.41 0.36 0.01 -0.92 0.00 0.00 0.00 179.25 178.29 1dfi h TYR 22 N 0.00 0.43 -0.86 0.00 3.20 -0.08 0.30 116.97 119.96 1dfi h TYR 22 Ca -0.00 -0.07 0.09 0.00 3.14 0.00 0.00 58.73 61.89 1dfi h TYR 22 Cb 0.53 -0.11 -0.07 0.00 1.54 0.00 0.00 36.73 38.61 1dfi h TYR 22 CO 0.00 0.55 0.51 0.78 -1.64 0.00 0.00 178.16 178.36 1dfi h GLY 23 N 0.18 1.34 0.93 1.82 0.00 -0.75 0.65 103.07 107.24 1dfi h GLY 23 Ca 0.07 -0.34 -0.14 0.00 0.00 0.00 0.00 47.33 46.92 1dfi h GLY 23 CO 0.01 0.16 -0.42 -2.22 0.00 0.00 0.00 176.54 174.07 1dfi h ILE 24 N 0.85 1.33 -0.58 2.60 2.04 -0.56 -2.74 117.51 120.46 1dfi h ILE 24 Ca 0.41 -1.66 0.04 0.00 1.00 0.00 0.00 64.86 64.65 1dfi h ILE 24 Cb 0.35 1.92 -0.04 0.00 -0.74 0.00 0.00 36.82 38.30 1dfi h ILE 24 CO -0.24 0.51 0.33 0.00 0.00 0.00 0.00 178.15 178.75 1dfi h ALA 25 N 0.58 0.76 -0.68 1.87 0.00 0.60 -1.62 119.26 120.76 1dfi h ALA 25 Ca -0.00 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1dfi h ALA 25 Cb 1.02 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1dfi h ALA 25 CO 0.09 0.01 0.44 1.96 0.00 0.00 0.00 179.25 181.75 1dfi h GLN 26 N 0.63 0.84 -0.18 0.00 4.20 -0.89 -0.89 115.11 118.82 1dfi h GLN 26 Ca 0.25 -0.05 -0.19 0.00 0.06 0.00 0.00 58.65 58.72 1dfi h GLN 26 Cb 0.11 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.70 1dfi h GLN 26 CO -0.14 0.56 -0.66 0.00 -0.67 0.00 0.00 178.83 177.92 1dfi h ALA 27 N 1.28 0.49 -0.55 3.87 0.00 -1.14 -1.00 119.26 122.21 1dfi h ALA 27 Ca 0.27 -0.56 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 1dfi h ALA 27 Cb -0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1dfi h ALA 27 CO -0.09 0.70 0.00 0.52 0.00 0.00 0.00 179.25 180.38 1dfi h MET 28 N 0.50 0.97 -0.70 0.00 2.86 -1.11 -2.47 114.93 114.99 1dfi h MET 28 Ca -0.02 -0.31 -0.04 0.00 -2.06 0.00 0.00 59.70 57.27 1dfi h MET 28 Cb 1.25 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.79 1dfi h MET 28 CO 0.13 0.98 0.28 1.25 1.06 0.00 0.00 176.91 180.61 1dfi h HIS 29 N 0.85 1.06 -0.42 -0.22 6.17 -1.07 -1.65 115.15 119.86 1dfi h HIS 29 Ca 0.16 -0.08 0.05 0.00 0.71 0.00 0.00 60.37 61.21 1dfi h HIS 29 Cb 0.54 -0.32 -0.02 0.00 2.52 0.00 0.00 27.41 30.13 1dfi h HIS 29 CO 0.04 0.82 0.28 -0.09 0.71 0.00 0.00 177.93 179.69 1dfi h ARG 30 N 0.99 0.36 -0.45 5.26 2.43 -0.92 -0.38 114.38 121.68 1dfi h ARG 30 Ca 0.23 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1dfi h ARG 30 Cb 0.20 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1dfi h ARG 30 CO -0.02 0.24 0.00 0.39 -1.51 0.00 0.00 179.97 179.07 1dfi n GLU 31 N -4.48 2.08 -0.23 0.20 -0.58 -0.67 -4.69 120.64 112.27 1dfi n GLU 31 Ca 0.05 -1.56 0.00 0.00 -0.42 0.00 0.00 57.16 55.23 1dfi n GLU 31 Cb 0.22 -1.37 0.00 0.00 -0.57 0.00 0.00 31.44 29.71 1dfi n GLU 31 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1dfi n GLY 32 N 1.13 0.88 3.83 0.62 0.00 -0.15 -1.05 105.19 110.44 1dfi n GLY 32 Ca 0.14 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1dfi n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dfi s ALA 33 N -2.00 2.96 -0.20 4.61 0.00 -0.88 -3.68 121.76 122.56 1dfi s ALA 33 Ca 0.00 0.27 -0.13 0.00 0.00 0.00 0.00 51.96 52.10 1dfi s ALA 33 Cb 0.00 -3.16 -0.05 0.00 0.00 0.00 0.00 23.12 19.91 1dfi s ALA 33 CO 0.00 -0.41 0.25 -1.21 0.00 0.00 0.00 175.76 174.39 1dfi s GLU 34 N -4.02 4.17 0.23 0.00 2.02 0.18 -4.59 118.70 116.70 1dfi s GLU 34 Ca 0.61 -0.05 0.06 0.00 0.02 0.00 0.00 54.97 55.61 1dfi s GLU 34 Cb -0.12 -3.48 -0.04 0.00 0.10 0.00 0.00 34.13 30.59 1dfi s GLU 34 CO 0.32 0.13 0.21 -0.51 0.02 0.00 0.00 175.26 175.43 1dfi s LEU 35 N 0.82 3.90 0.01 1.80 1.43 -1.26 -1.76 118.68 123.62 1dfi s LEU 35 Ca 0.13 -0.17 -0.07 0.00 -1.03 0.00 0.00 54.13 52.99 1dfi s LEU 35 Cb -0.13 -2.45 -0.00 0.00 0.03 0.00 0.00 46.19 43.64 1dfi s LEU 35 CO 0.04 -0.02 0.13 0.00 0.23 0.00 0.00 176.35 176.73 1dfi s ALA 36 N -2.02 -0.29 0.08 4.21 0.00 -1.11 -4.64 121.76 117.99 1dfi s ALA 36 Ca 0.33 -0.20 0.02 0.00 0.00 0.00 0.00 51.96 52.11 1dfi s ALA 36 Cb -0.09 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 1dfi s ALA 36 CO 0.25 -0.22 -0.08 -0.06 0.00 0.00 0.00 175.76 175.65 1dfi s PHE 37 N -1.57 0.86 0.24 0.00 0.40 -0.27 -1.42 117.98 116.23 1dfi s PHE 37 Ca -0.13 -0.72 0.12 0.00 -0.60 0.00 0.00 56.93 55.59 1dfi s PHE 37 Cb -0.07 -0.50 -0.05 0.00 0.51 0.00 0.00 43.02 42.92 1dfi s PHE 37 CO 0.01 -0.09 -0.22 0.95 0.70 0.00 0.00 175.22 176.57 1dfi s THR 38 N -2.61 2.42 0.02 0.64 -4.23 -1.01 -0.17 115.64 110.69 1dfi s THR 38 Ca 0.03 -2.25 0.00 0.00 -1.18 0.00 0.00 61.69 58.29 1dfi s THR 38 Cb -0.02 -2.22 -0.02 0.00 1.34 0.00 0.00 72.50 71.58 1dfi s THR 38 CO -0.02 -0.28 -0.03 -0.72 -0.54 0.00 0.00 174.62 173.03 1dfi s TYR 39 N -2.17 0.27 -0.07 3.99 1.13 -0.02 -4.29 117.35 116.19 1dfi s TYR 39 Ca 0.26 -0.40 -0.25 0.00 -1.41 0.00 0.00 57.07 55.27 1dfi s TYR 39 Cb -0.06 -0.18 -0.21 0.00 -1.10 0.00 0.00 41.96 40.41 1dfi s TYR 39 CO 0.13 -0.13 0.99 0.37 -2.51 0.00 0.00 175.55 174.40 1dfi h GLN 40 N 5.01 -0.05 -5.10 -3.49 4.15 -1.89 0.37 115.11 114.11 1dfi h GLN 40 Ca -0.31 0.00 -0.37 0.00 0.77 0.00 0.00 58.65 58.75 1dfi h GLN 40 Cb 1.21 0.01 -0.14 0.00 0.21 0.00 0.00 27.48 28.77 1dfi h GLN 40 CO 0.43 0.57 -0.67 0.54 -1.93 0.00 0.00 178.83 177.78 1dfi s ASN 41 N -5.80 1.85 0.64 -0.69 2.20 -1.26 -4.35 114.94 107.53 1dfi s ASN 41 Ca -0.16 -1.17 0.41 0.00 -0.94 0.00 0.00 52.86 51.00 1dfi s ASN 41 Cb -0.00 -0.00 2.23 0.00 -2.00 0.00 0.00 41.25 41.48 1dfi s ASN 41 CO 0.62 -0.46 2.31 0.44 -2.94 0.00 0.00 177.10 177.07 1dfi h ASP 42 N 2.54 0.00 0.49 3.54 3.32 -2.02 0.09 116.42 124.38 1dfi h ASP 42 Ca -0.38 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.60 1dfi h ASP 42 Cb 1.22 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 1dfi h ASP 42 CO 0.64 0.01 -0.35 0.50 -1.72 0.00 0.00 179.24 178.32 1dfi h LYS 43 N 0.00 0.00 0.00 3.56 3.64 -2.01 -2.92 116.57 118.84 1dfi h LYS 43 Ca -0.00 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 1dfi h LYS 43 Cb 0.06 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1dfi h LYS 43 CO 0.00 0.35 -0.92 1.25 -2.27 0.00 0.00 179.45 177.86 1dfi h LEU 44 N 0.00 0.00 -0.40 5.20 5.85 -1.39 -3.42 115.31 121.15 1dfi h LEU 44 Ca -0.00 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.75 1dfi h LEU 44 Cb 0.69 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.67 1dfi h LEU 44 CO 0.05 0.53 -0.24 1.17 -0.34 0.00 0.00 178.44 179.61 1dfi n LYS 45 N -3.07 -0.18 0.16 1.25 4.81 -1.10 -1.79 118.16 118.24 1dfi n LYS 45 Ca -0.03 0.70 0.03 0.00 -0.87 0.00 0.00 58.31 58.14 1dfi n LYS 45 Cb 0.78 -1.04 0.40 0.00 0.02 0.00 0.00 35.03 35.19 1dfi n LYS 45 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1dfi h GLY 46 N 0.00 0.12 0.97 3.14 0.00 -1.81 -0.55 103.07 104.94 1dfi h GLY 46 Ca 0.06 -0.08 -0.15 0.00 0.00 0.00 0.00 47.33 47.16 1dfi h GLY 46 CO -0.38 0.08 -0.47 -0.09 0.00 0.00 0.00 176.54 175.68 1dfi h ARG 47 N 0.10 0.65 -0.02 4.80 2.43 -1.66 -2.57 114.38 118.11 1dfi h ARG 47 Ca 0.02 -0.45 -0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1dfi h ARG 47 Cb 0.47 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1dfi h ARG 47 CO 0.03 1.07 0.00 0.28 -1.51 0.00 0.00 179.97 179.84 1dfi h VAL 48 N 0.33 1.24 -0.99 0.20 2.07 -1.31 -1.65 116.25 116.13 1dfi h VAL 48 Ca -0.01 -0.71 0.21 0.00 0.82 0.00 0.00 66.70 67.02 1dfi h VAL 48 Cb 1.08 1.69 -0.10 0.00 -1.52 0.00 0.00 31.29 32.44 1dfi h VAL 48 CO 0.10 0.19 0.62 -0.33 0.02 0.00 0.00 177.57 178.17 1dfi h GLU 49 N -0.26 0.60 -0.15 1.57 5.08 -1.12 0.16 114.58 120.46 1dfi h GLU 49 Ca 0.00 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1dfi h GLU 49 Cb 0.30 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1dfi h GLU 49 CO 0.00 0.40 -0.01 1.49 -1.00 0.00 0.00 179.01 179.89 1dfi h GLU 50 N 0.62 0.27 -0.20 2.33 4.81 -1.12 -1.43 114.58 119.86 1dfi h GLU 50 Ca 0.57 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.69 1dfi h GLU 50 Cb 1.08 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 1dfi h GLU 50 CO -0.34 0.51 0.04 0.74 -0.73 0.00 0.00 179.01 179.23 1dfi h PHE 51 N -0.00 0.34 -0.84 0.92 0.04 -0.27 -2.63 116.94 114.50 1dfi h PHE 51 Ca 0.04 -0.04 0.11 0.00 2.80 0.00 0.00 57.97 60.87 1dfi h PHE 51 Cb 0.39 -0.09 -0.08 0.00 2.20 0.00 0.00 35.95 38.37 1dfi h PHE 51 CO 0.04 0.46 0.47 0.00 -0.60 0.00 0.00 178.31 178.68 1dfi h ALA 52 N 0.84 1.21 -0.51 2.45 0.00 -0.67 -0.68 119.26 121.90 1dfi h ALA 52 Ca 0.06 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1dfi h ALA 52 Cb 0.30 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1dfi h ALA 52 CO 0.00 0.07 0.31 0.00 0.00 0.00 0.00 179.25 179.63 1dfi h ALA 53 N 1.48 0.65 -0.05 0.00 0.00 -1.08 0.17 119.26 120.43 1dfi h ALA 53 Ca 0.41 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.32 1dfi h ALA 53 Cb 0.42 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1dfi h ALA 53 CO -0.27 0.03 0.08 1.96 0.00 0.00 0.00 179.25 181.05 1dfi h GLN 54 N 0.62 0.00 -0.63 0.00 4.20 -0.77 -2.11 115.11 116.42 1dfi h GLN 54 Ca 0.20 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.58 1dfi h GLN 54 Cb -0.01 0.00 -0.20 0.00 0.30 0.00 0.00 27.48 27.58 1dfi h GLN 54 CO -0.08 0.00 0.23 1.28 -0.67 0.00 0.00 178.83 179.59 1dfi n LEU 55 N -3.56 5.27 -1.86 1.46 4.77 0.36 -4.93 117.00 118.51 1dfi n LEU 55 Ca -0.02 -3.74 -0.19 0.00 -0.03 0.00 0.00 56.01 52.04 1dfi n LEU 55 Cb 0.17 -0.72 -0.04 0.00 -2.33 0.00 0.00 43.42 40.50 1dfi n LEU 55 CO 0.24 1.19 -0.22 0.61 -1.33 0.00 0.00 177.39 177.89 1dfi n GLY 56 N -1.13 0.52 3.41 -0.72 0.00 -0.79 -4.70 105.19 101.77 1dfi n GLY 56 Ca 0.45 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 46.07 1dfi n GLY 56 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1dfi s SER 57 N -2.42 3.48 -0.02 1.61 0.15 0.18 -4.89 113.70 111.79 1dfi s SER 57 Ca 0.00 -0.63 0.03 0.00 0.70 0.00 0.00 55.95 56.05 1dfi s SER 57 Cb 0.00 -0.36 0.05 0.00 -1.71 0.00 0.00 66.02 64.00 1dfi s SER 57 CO 0.00 0.20 0.91 -0.90 1.20 0.00 0.00 173.24 174.65 1dfi n ASP 58 N 1.13 1.43 -4.42 5.45 5.75 -1.26 -3.27 116.55 121.36 1dfi n ASP 58 Ca -0.17 -1.96 -0.44 0.00 -0.01 0.00 0.00 54.79 52.21 1dfi n ASP 58 Cb 0.53 -0.09 -0.07 0.00 -1.03 0.00 0.00 41.12 40.46 1dfi n ASP 58 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1dfi s ILE 59 N -1.02 5.01 -0.29 2.12 1.01 -1.26 -4.98 121.20 121.79 1dfi s ILE 59 Ca 0.06 -0.72 -0.03 0.00 0.00 0.00 0.00 60.65 59.95 1dfi s ILE 59 Cb 0.05 -4.23 0.10 0.00 0.01 0.00 0.00 42.46 38.39 1dfi s ILE 59 CO 0.01 -0.72 0.13 -0.69 0.00 0.00 0.00 174.94 173.66 1dfi s VAL 60 N 2.25 0.08 0.07 2.92 1.01 -1.26 -1.11 120.40 124.37 1dfi s VAL 60 Ca 0.11 -0.87 0.07 0.00 0.00 0.00 0.00 61.98 61.29 1dfi s VAL 60 Cb -0.21 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 1dfi s VAL 60 CO 0.10 -0.72 -0.12 -0.76 0.00 0.00 0.00 175.10 173.60 1dfi s LEU 61 N 2.02 2.94 0.27 3.92 1.43 0.76 -4.97 118.68 125.04 1dfi s LEU 61 Ca 0.09 -0.37 -0.18 0.00 -1.03 0.00 0.00 54.13 52.64 1dfi s LEU 61 Cb -0.16 -1.74 -0.09 0.00 0.03 0.00 0.00 46.19 44.24 1dfi s LEU 61 CO -0.35 0.21 0.75 -1.58 0.23 0.00 0.00 176.35 175.61 1dfi s GLN 62 N -1.89 4.18 -0.29 1.70 0.74 -1.26 -0.84 119.66 121.99 1dfi s GLN 62 Ca 0.19 0.83 -0.13 0.00 0.05 0.00 0.00 55.36 56.29 1dfi s GLN 62 Cb -0.11 -2.70 0.12 0.00 1.10 0.00 0.00 33.01 31.43 1dfi s GLN 62 CO 0.10 0.29 0.76 0.00 -0.55 0.00 0.00 175.29 175.90 1dfi s ASP 64 N 2.27 5.28 0.04 0.00 -1.08 -1.26 -4.06 116.67 117.85 1dfi s ASP 64 Ca -0.07 -1.12 0.11 0.00 -0.52 0.00 0.00 52.55 50.95 1dfi s ASP 64 Cb -0.08 -1.86 0.48 0.00 -1.46 0.00 0.00 42.92 40.00 1dfi s ASP 64 CO -0.18 -0.31 1.35 1.33 0.52 0.00 0.00 175.17 177.87 1dfi n VAL 65 N 4.80 1.31 0.38 1.11 0.24 -1.26 -1.54 118.33 123.37 1dfi n VAL 65 Ca -0.13 0.35 0.14 0.00 -2.04 0.00 0.00 64.34 62.67 1dfi n VAL 65 Cb 0.45 -1.21 0.50 0.00 -1.47 0.00 0.00 33.84 32.11 1dfi n VAL 65 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1dfi h ALA 66 N 2.29 1.00 -3.21 2.33 0.00 -1.93 -3.43 119.26 116.31 1dfi h ALA 66 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 1dfi h ALA 66 Cb 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 17.65 1dfi h ALA 66 CO 0.00 0.00 -0.72 -1.21 0.00 0.00 0.00 179.25 177.32 1dfi s GLU 67 N -3.38 2.91 0.28 0.00 0.41 -0.59 -4.99 118.70 113.34 1dfi s GLU 67 Ca 0.05 -0.94 0.02 0.00 -0.41 0.00 0.00 54.97 53.69 1dfi s GLU 67 Cb 0.09 -3.05 0.62 0.00 -1.78 0.00 0.00 34.13 30.01 1dfi s GLU 67 CO 0.51 -0.40 1.79 -0.44 -0.49 0.00 0.00 175.26 176.23 1dfi h ASP 68 N 8.05 0.74 -0.37 -0.19 5.19 -1.83 -1.52 116.42 126.49 1dfi h ASP 68 Ca -0.33 0.08 -0.08 0.00 -0.62 0.00 0.00 57.03 56.08 1dfi h ASP 68 Cb 1.11 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 40.55 1dfi h ASP 68 CO 0.58 0.31 -0.05 0.00 -3.12 0.00 0.00 179.24 176.97 1dfi h ALA 69 N 1.59 1.06 -0.24 3.45 0.00 -1.94 -2.18 119.26 121.00 1dfi h ALA 69 Ca 0.52 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 1dfi h ALA 69 Cb 0.71 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1dfi h ALA 69 CO -0.35 0.58 -0.15 1.03 0.00 0.00 0.00 179.25 180.37 1dfi h SER 70 N 0.72 0.39 0.07 0.00 0.87 -1.55 -0.22 113.55 113.84 1dfi h SER 70 Ca 0.13 -0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1dfi h SER 70 Cb 0.51 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1dfi h SER 70 CO 0.03 0.56 -0.03 0.40 -0.53 0.00 0.00 176.83 177.26 1dfi h ILE 71 N 0.37 1.21 -0.82 2.23 2.04 -1.19 -0.85 117.51 120.49 1dfi h ILE 71 Ca 0.07 -1.05 0.02 0.00 1.00 0.00 0.00 64.86 64.91 1dfi h ILE 71 Cb 0.48 1.88 -0.05 0.00 -0.74 0.00 0.00 36.82 38.39 1dfi h ILE 71 CO 0.03 0.26 0.53 0.44 0.00 0.00 0.00 178.15 179.41 1dfi h ASP 72 N -0.57 0.90 -0.39 1.72 3.32 -1.25 -0.73 116.42 119.41 1dfi h ASP 72 Ca -0.01 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 1dfi h ASP 72 Cb 0.49 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1dfi h ASP 72 CO 0.02 0.63 -0.00 0.74 -1.72 0.00 0.00 179.24 178.90 1dfi h THR 73 N 1.06 1.26 -0.50 0.35 2.02 -1.01 -2.05 112.91 114.03 1dfi h THR 73 Ca 0.32 -1.01 0.04 0.00 0.77 0.00 0.00 66.41 66.53 1dfi h THR 73 Cb -0.04 1.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 1dfi h THR 73 CO -0.10 0.34 0.27 -0.03 0.37 0.00 0.00 175.52 176.37 1dfi h MET 74 N 0.53 0.51 0.00 6.66 1.85 -0.33 -1.31 114.93 122.83 1dfi h MET 74 Ca 0.11 -0.03 -0.01 0.00 -0.61 0.00 0.00 59.70 59.16 1dfi h MET 74 Cb 0.48 -0.12 -0.00 0.00 0.43 0.00 0.00 31.60 32.39 1dfi h MET 74 CO 0.02 0.34 -0.04 0.74 -0.40 0.00 0.00 176.91 177.57 1dfi h PHE 75 N 0.53 0.00 0.15 1.39 0.04 -1.01 0.11 116.94 118.14 1dfi h PHE 75 Ca 0.22 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.98 1dfi h PHE 75 Cb 0.10 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.25 1dfi h PHE 75 CO -0.09 0.04 -0.07 0.00 -0.60 0.00 0.00 178.31 177.59 1dfi h ALA 76 N 1.96 -0.20 0.01 2.45 0.00 -0.56 0.61 119.26 123.54 1dfi h ALA 76 Ca -0.00 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1dfi h ALA 76 Cb 0.61 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1dfi h ALA 76 CO 0.00 -0.37 -0.04 0.93 0.00 0.00 0.00 179.25 179.77 1dfi h GLU 77 N -0.68 -0.08 -0.66 0.00 4.39 -1.07 -1.85 114.58 114.63 1dfi h GLU 77 Ca -0.02 0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.75 1dfi h GLU 77 Cb 0.50 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.13 1dfi h GLU 77 CO 0.03 -0.05 0.43 1.25 -1.16 0.00 0.00 179.01 179.51 1dfi h LEU 78 N -0.08 0.58 -1.30 1.33 5.85 -0.71 -0.69 115.31 120.29 1dfi h LEU 78 Ca 0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1dfi h LEU 78 Cb 0.10 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1dfi h LEU 78 CO -0.04 0.37 0.00 1.23 -0.34 0.00 0.00 178.44 179.67 1dfi h GLY 79 N 0.66 0.00 1.66 3.75 0.00 0.00 0.16 103.07 109.30 1dfi h GLY 79 Ca 0.28 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.42 1dfi h GLY 79 CO -0.09 0.00 -0.82 0.50 0.00 0.00 0.00 176.54 176.13 1dfi h LYS 80 N 0.00 0.32 0.02 4.80 1.57 -1.02 -3.17 116.57 119.09 1dfi h LYS 80 Ca 0.00 -0.30 -0.38 0.00 -1.87 0.00 0.00 60.65 58.10 1dfi h LYS 80 Cb 0.14 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.47 1dfi h LYS 80 CO 0.00 0.98 -2.37 1.33 -0.57 0.00 0.00 179.45 178.82 1dfi n VAL 81 N -3.76 1.54 -3.82 0.50 0.24 -0.77 -4.82 118.33 107.44 1dfi n VAL 81 Ca -0.04 -0.62 -0.30 0.00 -2.04 0.00 0.00 64.34 61.34 1dfi n VAL 81 Cb 0.76 -1.38 -0.14 0.00 -1.47 0.00 0.00 33.84 31.62 1dfi n VAL 81 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1dfi s TRP 82 N -2.53 2.52 0.08 6.34 0.52 0.48 -4.94 118.94 121.41 1dfi s TRP 82 Ca -0.30 -2.67 0.30 0.00 0.02 0.00 0.00 56.10 53.45 1dfi s TRP 82 Cb 0.08 -2.28 1.17 0.00 -1.15 0.00 0.00 33.47 31.29 1dfi s TRP 82 CO 0.66 -0.79 1.91 -1.00 0.02 0.00 0.00 176.95 177.75 1dfi h PRO 83 N 6.85 0.00 -3.68 4.98 0.13 -1.77 -3.34 132.00 135.17 1dfi h PRO 83 Ca -0.05 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.85 1dfi h PRO 83 Cb 0.93 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.78 1dfi h PRO 83 CO 0.55 0.07 -0.70 0.15 -0.23 0.00 0.00 178.00 177.84 1dfi s LYS 84 N -3.64 0.02 0.29 0.86 -0.14 -1.26 -4.66 119.74 111.21 1dfi s LYS 84 Ca 0.01 0.03 0.02 0.00 -1.36 0.00 0.00 55.97 54.68 1dfi s LYS 84 Cb 0.09 0.00 -0.01 0.00 -1.68 0.00 0.00 37.83 36.23 1dfi s LYS 84 CO 0.58 -0.01 0.34 1.97 -0.76 0.00 0.00 175.35 177.47 1dfi n PHE 85 N 3.11 -1.01 -0.89 3.18 -1.74 -0.32 -4.97 117.46 114.82 1dfi n PHE 85 Ca -0.13 -2.17 0.08 0.00 -0.56 0.00 0.00 57.45 54.68 1dfi n PHE 85 Cb 0.59 0.37 0.22 0.00 1.52 0.00 0.00 39.48 42.18 1dfi n PHE 85 CO 0.00 0.00 0.00 -0.25 -0.56 0.00 0.00 176.76 175.95 1dfi n ASP 86 N -1.79 3.41 0.00 5.98 8.00 0.47 -0.98 116.55 131.64 1dfi n ASP 86 Ca 0.03 -2.89 0.00 0.00 0.71 0.00 0.00 54.79 52.64 1dfi n ASP 86 Cb 0.50 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 1dfi n ASP 86 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dfi n GLY 87 N -0.59 1.46 3.24 0.44 0.00 -1.24 -1.97 105.19 106.53 1dfi n GLY 87 Ca 0.18 -2.12 -0.09 0.00 0.00 0.00 0.00 46.02 43.99 1dfi n GLY 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1dfi s PHE 88 N -1.27 0.42 -0.20 1.61 -0.12 -1.14 -1.85 117.98 115.43 1dfi s PHE 88 Ca 0.00 -0.83 -0.02 0.00 -0.05 0.00 0.00 56.93 56.04 1dfi s PHE 88 Cb 0.00 -0.17 0.00 0.00 -0.63 0.00 0.00 43.02 42.22 1dfi s PHE 88 CO 0.00 -0.60 -0.11 0.08 -0.05 0.00 0.00 175.22 174.55 1dfi s VAL 89 N -3.95 2.86 -0.38 -2.49 1.01 0.69 -1.80 120.40 116.34 1dfi s VAL 89 Ca 0.14 -0.67 -0.15 0.00 0.00 0.00 0.00 61.98 61.29 1dfi s VAL 89 Cb 0.05 -2.27 0.01 0.00 0.00 0.00 0.00 36.38 34.17 1dfi s VAL 89 CO -0.04 0.47 0.35 -2.28 0.00 0.00 0.00 175.10 173.60 1dfi s HIS 90 N 1.34 3.21 -0.41 5.22 2.46 0.20 -2.11 115.29 125.19 1dfi s HIS 90 Ca 0.04 -0.32 0.10 0.00 0.47 0.00 0.00 55.06 55.35 1dfi s HIS 90 Cb -0.14 -2.68 0.32 0.00 -0.13 0.00 0.00 32.58 29.95 1dfi s HIS 90 CO -0.06 -0.55 0.71 0.45 -2.47 0.00 0.00 174.74 172.82 1dfi n SER 91 N 5.34 1.22 -3.86 9.88 2.88 -1.26 -3.11 113.62 124.72 1dfi n SER 91 Ca -0.10 -3.03 -0.16 0.00 -1.33 0.00 0.00 58.87 54.25 1dfi n SER 91 Cb 0.48 -0.62 -0.15 0.00 -0.75 0.00 0.00 64.21 63.17 1dfi n SER 91 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1dfi s ILE 92 N -2.38 0.22 -0.16 2.46 1.01 -1.26 -4.27 121.20 116.81 1dfi s ILE 92 Ca 0.40 -0.01 -0.23 0.00 0.00 0.00 0.00 60.65 60.81 1dfi s ILE 92 Cb 0.29 -0.27 0.06 0.00 0.01 0.00 0.00 42.46 42.55 1dfi s ILE 92 CO -0.09 0.12 0.60 -0.83 0.00 0.00 0.00 174.94 174.74 1dfi s GLY 93 N 0.60 -0.46 -0.11 6.18 0.00 -1.26 -4.56 107.32 107.70 1dfi s GLY 93 Ca -0.06 1.49 -0.20 0.00 0.00 0.00 0.00 44.72 45.95 1dfi s GLY 93 CO -0.01 1.22 0.49 -0.12 0.00 0.00 0.00 173.10 174.68 1dfi s PHE 94 N -0.22 -0.48 -0.10 1.90 5.36 -1.26 -4.95 117.98 118.23 1dfi s PHE 94 Ca -0.04 1.01 -0.08 0.00 -0.96 0.00 0.00 56.93 56.86 1dfi s PHE 94 Cb -0.03 0.21 0.03 0.00 -0.34 0.00 0.00 43.02 42.89 1dfi s PHE 94 CO 0.04 -0.38 0.25 0.00 -1.46 0.00 0.00 175.22 173.67 1dfi s ALA 95 N -0.50 -0.60 0.16 11.12 0.00 -1.26 -3.90 121.76 126.78 1dfi s ALA 95 Ca -0.06 0.81 -0.34 0.00 0.00 0.00 0.00 51.96 52.37 1dfi s ALA 95 Cb -0.03 -0.49 -0.14 0.00 0.00 0.00 0.00 23.12 22.46 1dfi s ALA 95 CO 0.04 -0.15 1.53 -2.30 0.00 0.00 0.00 175.76 174.88 1dfi n PRO 96 N 3.38 2.00 -0.30 0.00 -0.02 -1.26 -4.82 135.00 133.99 1dfi n PRO 96 Ca -0.17 0.72 0.25 0.00 -2.02 0.00 0.00 63.50 62.28 1dfi n PRO 96 Cb 0.57 -2.46 0.57 0.00 -0.02 0.00 0.00 33.50 32.15 1dfi n PRO 96 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1dfi h GLY 97 N 5.56 0.84 2.00 -1.23 0.00 -2.00 0.08 103.07 108.31 1dfi h GLY 97 Ca -0.45 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 46.73 1dfi h GLY 97 CO 0.86 -0.08 -0.02 1.29 0.00 0.00 0.00 176.54 178.59 1dfi h ASP 98 N 0.29 0.00 1.12 0.19 2.03 -1.97 -1.06 116.42 117.02 1dfi h ASP 98 Ca 0.55 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.80 1dfi h ASP 98 Cb 1.60 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 40.09 1dfi h ASP 98 CO -0.20 0.02 -0.23 1.56 -1.03 0.00 0.00 179.24 179.37 1dfi h GLN 99 N 0.00 0.00 -0.88 4.15 1.08 -1.24 -3.31 115.11 114.91 1dfi h GLN 99 Ca -0.00 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.70 1dfi h GLN 99 Cb 0.10 0.00 -0.28 0.00 -0.05 0.00 0.00 27.48 27.25 1dfi h GLN 99 CO 0.00 0.23 0.53 1.28 -0.95 0.00 0.00 178.83 179.92 1dfi n LEU 100 N -3.31 6.47 -3.70 1.46 4.77 -0.40 -4.40 117.00 117.89 1dfi n LEU 100 Ca 0.01 -3.84 -0.16 0.00 -0.03 0.00 0.00 56.01 51.99 1dfi n LEU 100 Cb 0.47 -0.82 -0.15 0.00 -2.33 0.00 0.00 43.42 40.59 1dfi n LEU 100 CO 0.34 1.22 -0.25 -0.62 -1.33 0.00 0.00 177.39 176.75 1dfi s ASP 101 N -1.72 0.42 0.00 -1.43 2.15 -1.25 -4.71 116.67 110.14 1dfi s ASP 101 Ca 0.57 0.28 0.00 0.00 0.43 0.00 0.00 52.55 53.82 1dfi s ASP 101 Cb 0.47 0.18 0.00 0.00 -0.30 0.00 0.00 42.92 43.27 1dfi s ASP 101 CO 0.06 -0.20 0.00 0.61 -0.17 0.00 0.00 175.17 175.47 1dfi n GLY 102 N 4.84 -1.78 3.66 2.66 0.00 -1.26 -4.78 105.19 108.52 1dfi n GLY 102 Ca -0.14 -1.70 -0.48 0.00 0.00 0.00 0.00 46.02 43.70 1dfi n GLY 102 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1dfi n ASP 103 N 0.19 2.81 -0.13 1.61 -0.08 -1.26 -4.38 116.55 115.31 1dfi n ASP 103 Ca 0.00 1.08 -0.09 0.00 -1.51 0.00 0.00 54.79 54.27 1dfi n ASP 103 Cb 0.00 -1.36 -0.01 0.00 2.34 0.00 0.00 41.12 42.09 1dfi n ASP 103 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 1dfi h TYR 104 N 6.02 0.56 -0.56 -0.67 3.20 -1.95 -2.04 116.97 121.54 1dfi h TYR 104 Ca -0.46 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.36 1dfi h TYR 104 Cb 1.27 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 39.35 1dfi h TYR 104 CO 0.65 0.48 0.27 0.28 -1.64 0.00 0.00 178.16 178.20 1dfi h VAL 105 N 0.48 1.19 -0.06 1.81 2.07 -1.95 -0.69 116.25 119.10 1dfi h VAL 105 Ca 0.13 -0.52 -0.24 0.00 0.82 0.00 0.00 66.70 66.89 1dfi h VAL 105 Cb 0.13 0.47 0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1dfi h VAL 105 CO -0.02 0.22 -0.92 0.78 0.02 0.00 0.00 177.57 177.65 1dfi h ASN 106 N 0.78 0.84 0.87 0.57 2.35 -1.92 -3.34 115.58 115.73 1dfi h ASN 106 Ca 0.20 -0.62 -0.23 0.00 -0.55 0.00 0.00 56.30 55.10 1dfi h ASN 106 Cb 0.08 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 1dfi h ASN 106 CO -0.03 1.42 -1.05 0.00 -1.65 0.00 0.00 177.43 176.12 1dfi h ALA 107 N 0.54 0.30 -2.84 -0.83 0.00 -1.07 -3.47 119.26 111.89 1dfi h ALA 107 Ca -0.09 -0.89 -0.52 0.00 0.00 0.00 0.00 54.91 53.41 1dfi h ALA 107 Cb 1.56 -0.11 0.06 0.00 0.00 0.00 0.00 17.79 19.30 1dfi h ALA 107 CO 0.18 1.15 0.66 0.54 0.00 0.00 0.00 179.25 181.77 1dfi s VAL 108 N -2.74 2.75 0.20 0.00 0.11 -0.29 -4.65 120.40 115.79 1dfi s VAL 108 Ca -0.01 0.73 0.03 0.00 -2.93 0.00 0.00 61.98 59.80 1dfi s VAL 108 Cb 0.09 -3.46 -0.05 0.00 -1.53 0.00 0.00 36.38 31.43 1dfi s VAL 108 CO 0.84 0.16 -0.02 0.42 -3.33 0.00 0.00 175.10 173.17 1dfi s THR 109 N -0.87 0.98 0.14 5.04 -4.23 -1.26 -5.01 115.64 110.44 1dfi s THR 109 Ca 0.51 -2.03 -0.17 0.00 -1.18 0.00 0.00 61.69 58.82 1dfi s THR 109 Cb -0.40 -2.22 -0.00 0.00 1.34 0.00 0.00 72.50 71.22 1dfi s THR 109 CO 0.50 -0.42 1.79 -0.09 -0.54 0.00 0.00 174.62 175.86 1dfi h ARG 110 N 2.57 0.48 -0.29 3.99 2.43 -1.98 0.06 114.38 121.64 1dfi h ARG 110 Ca -0.38 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 58.69 1dfi h ARG 110 Cb 1.21 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 1dfi h ARG 110 CO 0.64 0.34 -0.09 0.93 -1.51 0.00 0.00 179.97 180.28 1dfi h GLU 111 N 0.48 0.56 -0.69 0.20 4.39 -1.99 -0.98 114.58 116.56 1dfi h GLU 111 Ca 0.13 -0.23 0.01 0.00 0.34 0.00 0.00 59.36 59.61 1dfi h GLU 111 Cb -0.03 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.55 1dfi h GLU 111 CO -0.03 0.78 0.46 0.78 -1.16 0.00 0.00 179.01 179.84 1dfi h GLY 112 N 0.32 0.97 0.95 -3.84 0.00 -1.95 -0.07 103.07 99.46 1dfi h GLY 112 Ca 0.07 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 1dfi h GLY 112 CO 0.03 0.36 0.18 -2.75 0.00 0.00 0.00 176.54 174.35 1dfi h PHE 113 N 0.94 0.62 -0.35 5.60 3.04 -0.89 -1.10 116.94 124.80 1dfi h PHE 113 Ca 0.25 -0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.16 1dfi h PHE 113 Cb -0.11 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 38.20 1dfi h PHE 113 CO -0.03 0.53 0.22 -0.22 -2.02 0.00 0.00 178.31 176.80 1dfi h LYS 114 N 0.52 0.47 0.13 1.11 3.64 -0.74 -1.99 116.57 119.70 1dfi h LYS 114 Ca 0.14 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1dfi h LYS 114 Cb 0.17 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1dfi h LYS 114 CO -0.01 0.34 -0.06 0.82 -2.27 0.00 0.00 179.45 178.27 1dfi h ILE 115 N 0.46 1.01 -0.51 2.00 2.04 -0.91 0.05 117.51 121.66 1dfi h ILE 115 Ca 0.13 -0.58 0.10 0.00 1.00 0.00 0.00 64.86 65.51 1dfi h ILE 115 Cb -0.02 1.38 -0.09 0.00 -0.74 0.00 0.00 36.82 37.35 1dfi h ILE 115 CO -0.03 0.14 -0.07 0.00 0.00 0.00 0.00 178.15 178.19 1dfi h ALA 116 N 0.39 0.40 -0.50 1.87 0.00 -1.20 -0.71 119.26 119.51 1dfi h ALA 116 Ca -0.02 0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1dfi h ALA 116 Cb 0.36 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1dfi h ALA 116 CO 0.03 -0.42 -0.06 0.45 0.00 0.00 0.00 179.25 179.25 1dfi h HIS 117 N 0.04 1.01 0.22 0.00 3.86 -1.25 -0.73 115.15 118.30 1dfi h HIS 117 Ca 0.25 -0.20 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 1dfi h HIS 117 Cb 0.39 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.60 1dfi h HIS 117 CO -0.38 0.96 -0.10 0.22 0.86 0.00 0.00 177.93 179.48 1dfi h ASP 118 N 0.77 -0.25 -0.12 2.45 3.58 -0.46 0.56 116.42 122.95 1dfi h ASP 118 Ca 0.13 -0.12 -0.14 0.00 0.42 0.00 0.00 57.03 57.33 1dfi h ASP 118 Cb 0.60 0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.71 1dfi h ASP 118 CO 0.04 -0.03 -0.45 0.40 -2.88 0.00 0.00 179.24 176.31 1dfi h ILE 119 N -0.46 1.36 0.00 2.25 1.08 -1.20 -2.29 117.51 118.25 1dfi h ILE 119 Ca -0.03 -1.76 -0.02 0.00 -0.39 0.00 0.00 64.86 62.66 1dfi h ILE 119 Cb 0.35 2.12 -0.00 0.00 -3.07 0.00 0.00 36.82 36.22 1dfi h ILE 119 CO 0.05 0.53 -0.32 0.28 -0.69 0.00 0.00 178.15 178.00 1dfi h SER 120 N 0.13 0.00 0.00 1.72 0.02 -1.18 -3.38 113.55 110.87 1dfi h SER 120 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1dfi h SER 120 Cb 1.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1dfi h SER 120 CO 0.10 0.08 -0.62 -0.24 -1.14 0.00 0.00 176.83 175.01 1dfi n SER 121 N -3.02 0.19 -0.31 3.07 2.88 0.13 -4.82 113.62 111.75 1dfi n SER 121 Ca 0.02 0.05 -0.02 0.00 -1.33 0.00 0.00 58.87 57.60 1dfi n SER 121 Cb 0.57 -0.04 0.15 0.00 -0.75 0.00 0.00 64.21 64.14 1dfi n SER 121 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 1dfi h TYR 122 N 0.00 1.14 -0.76 0.66 3.20 -1.19 -2.81 116.97 117.21 1dfi h TYR 122 Ca 0.00 0.01 0.22 0.00 3.14 0.00 0.00 58.73 62.09 1dfi h TYR 122 Cb 0.62 -0.38 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 1dfi h TYR 122 CO 0.00 0.74 0.55 0.66 -1.64 0.00 0.00 178.16 178.47 1dfi h SER 123 N 1.21 0.03 0.24 -2.11 4.64 -1.59 -0.35 113.55 115.62 1dfi h SER 123 Ca 0.32 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.63 1dfi h SER 123 Cb -0.08 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 1dfi h SER 123 CO -0.06 0.01 -0.12 0.15 -0.87 0.00 0.00 176.83 175.95 1dfi h PHE 124 N 0.03 -0.30 0.00 4.77 3.57 -1.79 -1.99 116.94 121.23 1dfi h PHE 124 Ca 0.37 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.74 1dfi h PHE 124 Cb 1.41 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 40.23 1dfi h PHE 124 CO -0.00 -0.07 -0.55 -0.24 -2.23 0.00 0.00 178.31 175.22 1dfi h VAL 125 N -0.48 1.18 -0.83 1.41 3.04 -1.48 -2.75 116.25 116.34 1dfi h VAL 125 Ca -0.03 -2.04 -0.03 0.00 -1.01 0.00 0.00 66.70 63.58 1dfi h VAL 125 Cb 0.36 2.17 -0.04 0.00 -2.01 0.00 0.00 31.29 31.77 1dfi h VAL 125 CO 0.05 0.54 0.39 0.00 -1.01 0.00 0.00 177.57 177.55 1dfi h ALA 126 N 1.45 1.07 -0.32 3.17 0.00 -1.00 0.28 119.26 123.91 1dfi h ALA 126 Ca -0.01 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.58 1dfi h ALA 126 Cb 1.13 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1dfi h ALA 126 CO 0.07 0.65 -0.45 0.52 0.00 0.00 0.00 179.25 180.04 1dfi h MET 127 N 1.19 0.83 -0.53 0.00 2.86 -1.19 -2.34 114.93 115.74 1dfi h MET 127 Ca 0.28 -0.47 -0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1dfi h MET 127 Cb 0.13 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.80 1dfi h MET 127 CO -0.03 1.10 0.31 0.00 1.06 0.00 0.00 176.91 179.35 1dfi h ALA 128 N 0.82 0.67 -0.64 6.32 0.00 -1.16 -2.56 119.26 122.73 1dfi h ALA 128 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1dfi h ALA 128 Cb 1.03 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1dfi h ALA 128 CO 0.10 0.16 0.41 -0.22 0.00 0.00 0.00 179.25 179.71 1dfi h LYS 129 N 0.71 0.85 0.00 0.00 3.64 -0.79 -1.23 116.57 119.74 1dfi h LYS 129 Ca 0.19 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 1dfi h LYS 129 Cb -0.00 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 1dfi h LYS 129 CO -0.03 0.57 -0.23 0.00 -2.27 0.00 0.00 179.45 177.49 1dfi h ALA 130 N 1.22 1.12 -0.06 5.00 0.00 -1.08 -3.22 119.26 122.24 1dfi h ALA 130 Ca 0.23 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1dfi h ALA 130 Cb -0.08 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1dfi h ALA 130 CO -0.05 0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.49 1dfi h ARG 132 N 0.64 0.25 0.00 0.00 2.43 -1.23 0.67 114.38 117.13 1dfi h ARG 132 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1dfi h ARG 132 Cb 0.40 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1dfi h ARG 132 CO 0.00 0.16 0.00 -1.13 -1.51 0.00 0.00 179.97 177.49 1dfi n SER 133 N -5.16 0.72 -0.15 -3.80 3.41 -1.26 -2.98 113.62 104.40 1dfi n SER 133 Ca 0.25 0.59 0.14 0.00 -0.26 0.00 0.00 58.87 59.59 1dfi n SER 133 Cb 0.79 -0.77 0.50 0.00 -0.26 0.00 0.00 64.21 64.46 1dfi n SER 133 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1dfi n MET 134 N -2.20 0.66 -2.89 4.33 2.81 0.23 -4.91 117.12 115.17 1dfi n MET 134 Ca 0.05 -0.31 -0.40 0.00 -1.81 0.00 0.00 57.70 55.23 1dfi n MET 134 Cb 0.38 -1.49 -0.05 0.00 -0.71 0.00 0.00 33.22 31.35 1dfi n MET 134 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1dfi s LEU 135 N -2.55 4.53 0.54 4.03 1.43 -1.16 -1.18 118.68 124.33 1dfi s LEU 135 Ca 0.25 1.66 -0.13 0.00 -1.03 0.00 0.00 54.13 54.88 1dfi s LEU 135 Cb 0.19 -3.39 -0.06 0.00 0.03 0.00 0.00 46.19 42.96 1dfi s LEU 135 CO 0.51 0.07 0.96 0.20 0.23 0.00 0.00 176.35 178.32 1dfi s ASN 136 N -0.52 6.44 0.38 2.29 0.01 -0.15 -4.90 114.94 118.49 1dfi s ASN 136 Ca 0.40 1.42 -0.28 0.00 -0.71 0.00 0.00 52.86 53.69 1dfi s ASN 136 Cb -0.23 -2.45 -0.11 0.00 0.41 0.00 0.00 41.25 38.87 1dfi s ASN 136 CO 0.27 -0.67 1.50 -2.84 -1.51 0.00 0.00 177.10 173.86 1dfi s PRO 137 N -4.49 4.09 0.00 -0.60 0.02 -1.26 -1.32 135.00 131.43 1dfi s PRO 137 Ca 0.56 2.60 0.00 0.00 0.02 0.00 0.00 61.00 64.18 1dfi s PRO 137 Cb -0.10 -2.96 0.00 0.00 0.02 0.00 0.00 34.50 31.45 1dfi s PRO 137 CO 0.40 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 176.92 1dfi n GLY 138 N 0.51 0.63 3.70 0.52 0.00 0.16 -5.03 105.19 105.67 1dfi n GLY 138 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1dfi n GLY 138 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dfi s SER 139 N -3.00 3.30 -0.05 1.61 0.01 -0.44 -4.87 113.70 110.27 1dfi s SER 139 Ca 0.00 1.66 -0.02 0.00 1.31 0.00 0.00 55.95 58.90 1dfi s SER 139 Cb 0.00 -2.31 0.03 0.00 0.21 0.00 0.00 66.02 63.94 1dfi s SER 139 CO 0.00 -2.77 0.10 0.00 0.41 0.00 0.00 173.24 170.98 1dfi s ALA 140 N -2.83 -0.19 -0.01 1.44 0.00 -0.83 -1.94 121.76 117.40 1dfi s ALA 140 Ca 0.64 0.45 0.03 0.00 0.00 0.00 0.00 51.96 53.08 1dfi s ALA 140 Cb -0.19 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 1dfi s ALA 140 CO 0.58 -0.10 -0.09 -0.51 0.00 0.00 0.00 175.76 175.63 1dfi s LEU 141 N 0.71 3.05 -0.01 0.00 1.43 0.34 -2.89 118.68 121.31 1dfi s LEU 141 Ca -0.05 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 1dfi s LEU 141 Cb -0.07 -1.73 0.01 0.00 0.03 0.00 0.00 46.19 44.42 1dfi s LEU 141 CO -0.03 0.30 0.00 -0.22 0.23 0.00 0.00 176.35 176.63 1dfi s LEU 142 N -1.26 1.76 0.23 1.79 2.96 -0.75 -1.83 118.68 121.58 1dfi s LEU 142 Ca 0.15 -0.00 0.03 0.00 -0.22 0.00 0.00 54.13 54.09 1dfi s LEU 142 Cb -0.11 -0.06 -0.05 0.00 0.50 0.00 0.00 46.19 46.47 1dfi s LEU 142 CO 0.06 -0.03 0.00 0.28 -1.32 0.00 0.00 176.35 175.34 1dfi s THR 143 N 0.27 0.96 -0.10 3.68 -1.32 -0.99 0.59 115.64 118.73 1dfi s THR 143 Ca -0.02 -2.02 0.02 0.00 -1.21 0.00 0.00 61.69 58.45 1dfi s THR 143 Cb -0.04 -2.34 -0.02 0.00 -1.51 0.00 0.00 72.50 68.60 1dfi s THR 143 CO -0.01 -0.32 -0.15 -0.76 -2.21 0.00 0.00 174.62 171.17 1dfi s LEU 144 N -3.29 2.61 0.00 9.08 1.43 -1.18 -1.47 118.68 125.86 1dfi s LEU 144 Ca 0.28 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 1dfi s LEU 144 Cb 0.06 -1.56 -0.00 0.00 0.03 0.00 0.00 46.19 44.72 1dfi s LEU 144 CO 0.08 0.21 0.01 -0.24 0.23 0.00 0.00 176.35 176.64 1dfi n SER 145 N 3.23 1.96 -3.73 2.29 2.88 0.17 -4.94 113.62 115.47 1dfi n SER 145 Ca -0.18 -1.56 -0.14 0.00 -1.33 0.00 0.00 58.87 55.66 1dfi n SER 145 Cb 0.53 0.14 -0.09 0.00 -0.75 0.00 0.00 64.21 64.04 1dfi n SER 145 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1dfi s TYR 146 N -1.60 -0.28 0.61 0.66 5.04 -1.26 -2.33 117.35 118.18 1dfi s TYR 146 Ca 0.02 0.50 0.28 0.00 -2.44 0.00 0.00 57.07 55.43 1dfi s TYR 146 Cb 0.00 0.14 1.38 0.00 0.35 0.00 0.00 41.96 43.83 1dfi s TYR 146 CO 0.01 -0.39 1.79 1.25 -1.34 0.00 0.00 175.55 176.87 1dfi h LEU 147 N 4.04 0.00 -2.05 6.97 5.85 -1.90 -0.04 115.31 128.18 1dfi h LEU 147 Ca -0.29 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.49 1dfi h LEU 147 Cb 1.17 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 1dfi h LEU 147 CO 0.37 0.00 0.35 1.23 -0.34 0.00 0.00 178.44 180.06 1dfi h GLY 148 N 0.00 0.00 2.00 3.75 0.00 -1.94 0.71 103.07 107.59 1dfi h GLY 148 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1dfi h GLY 148 CO -0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1dfi h ALA 149 N 1.48 1.00 0.00 3.60 0.00 -1.15 -3.33 119.26 120.86 1dfi h ALA 149 Ca 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1dfi h ALA 149 Cb 0.79 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1dfi h ALA 149 CO -0.00 0.00 -1.30 0.39 0.00 0.00 0.00 179.25 178.34 1dfi n GLU 150 N -2.54 1.47 -4.26 0.00 1.02 0.24 -4.54 120.64 112.03 1dfi n GLU 150 Ca 0.02 -0.03 -0.14 0.00 -0.02 0.00 0.00 57.16 56.99 1dfi n GLU 150 Cb 0.29 -1.13 -0.10 0.00 -0.02 0.00 0.00 31.44 30.48 1dfi n GLU 150 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1dfi s ARG 151 N -2.28 1.11 -0.39 3.49 1.81 -0.84 -5.11 118.95 116.75 1dfi s ARG 151 Ca -0.02 -1.50 -0.24 0.00 -1.72 0.00 0.00 55.73 52.24 1dfi s ARG 151 Cb 0.03 -0.56 0.02 0.00 -0.45 0.00 0.00 34.95 33.99 1dfi s ARG 151 CO 0.23 0.01 0.85 0.00 -0.68 0.00 0.00 175.30 175.70 1dfi s ALA 152 N -3.40 3.38 -0.13 2.13 0.00 -1.26 -4.42 121.76 118.06 1dfi s ALA 152 Ca 0.20 -0.64 -0.00 0.00 0.00 0.00 0.00 51.96 51.51 1dfi s ALA 152 Cb 0.04 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 1dfi s ALA 152 CO 0.02 -1.64 -0.12 0.42 0.00 0.00 0.00 175.76 174.44 1dfi s ILE 153 N 3.33 3.13 0.39 0.00 1.01 -1.26 -5.09 121.20 122.70 1dfi s ILE 153 Ca 0.34 -0.63 -0.25 0.00 0.00 0.00 0.00 60.65 60.11 1dfi s ILE 153 Cb -0.12 -2.32 -0.12 0.00 0.01 0.00 0.00 42.46 39.91 1dfi s ILE 153 CO 0.19 0.52 0.96 -2.65 0.00 0.00 0.00 174.94 173.97 1dfi n PRO 154 N 3.48 1.28 0.00 2.79 -0.02 -1.26 -2.29 135.00 138.98 1dfi n PRO 154 Ca -0.18 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1dfi n PRO 154 Cb 0.53 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 1dfi n PRO 154 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1dfi n ASN 155 N 0.77 0.00 0.13 2.55 3.02 -1.26 -4.64 115.26 115.83 1dfi n ASN 155 Ca 0.10 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.64 1dfi n ASN 155 Cb 0.37 -0.37 0.28 0.00 -0.61 0.00 0.00 39.78 39.45 1dfi n ASN 155 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1dfi h TYR 156 N 0.00 0.16 0.00 3.10 3.20 -1.74 -3.38 116.97 118.31 1dfi h TYR 156 Ca 0.00 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1dfi h TYR 156 Cb 0.00 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.23 1dfi h TYR 156 CO 0.00 0.52 0.00 0.09 -1.64 0.00 0.00 178.16 177.13 1dfi n ASN 157 N -4.05 0.00 0.00 -2.11 3.02 -1.25 -1.44 115.26 109.44 1dfi n ASN 157 Ca -0.02 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.67 1dfi n ASN 157 Cb 0.45 0.00 0.65 0.00 -0.61 0.00 0.00 39.78 40.27 1dfi n ASN 157 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1dfi n VAL 158 N 0.00 0.07 0.21 2.41 3.14 -1.26 -1.42 118.33 121.48 1dfi n VAL 158 Ca 0.00 0.02 0.06 0.00 -2.96 0.00 0.00 64.34 61.45 1dfi n VAL 158 Cb 0.00 -0.54 0.47 0.00 -1.06 0.00 0.00 33.84 32.71 1dfi n VAL 158 CO 0.00 0.00 0.00 0.24 -6.46 0.00 0.00 176.83 170.61 1dfi h MET 159 N 0.00 0.00 -0.46 1.45 2.86 -1.61 -2.42 114.93 114.75 1dfi h MET 159 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1dfi h MET 159 Cb 0.39 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 1dfi h MET 159 CO 0.00 0.28 0.25 0.78 1.06 0.00 0.00 176.91 179.28 1dfi h GLY 160 N 1.05 0.68 1.29 8.32 0.00 -1.33 0.74 103.07 113.82 1dfi h GLY 160 Ca -0.00 -0.31 -0.11 0.00 0.00 0.00 0.00 47.33 46.91 1dfi h GLY 160 CO 0.04 0.30 -0.15 1.41 0.00 0.00 0.00 176.54 178.13 1dfi h LEU 161 N 0.60 0.83 -0.60 3.11 4.07 -1.59 -1.83 115.31 119.90 1dfi h LEU 161 Ca 0.16 -0.27 -0.10 0.00 0.08 0.00 0.00 57.88 57.75 1dfi h LEU 161 Cb 0.05 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.55 1dfi h LEU 161 CO -0.03 0.98 -0.03 0.00 -1.08 0.00 0.00 178.44 178.29 1dfi h ALA 162 N 1.09 0.81 -0.47 1.53 0.00 -0.97 -0.98 119.26 120.27 1dfi h ALA 162 Ca 0.11 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 1dfi h ALA 162 Cb 0.66 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1dfi h ALA 162 CO 0.05 0.67 -0.10 0.87 0.00 0.00 0.00 179.25 180.74 1dfi h LYS 163 N 0.97 0.85 -0.44 0.00 1.79 -0.79 0.10 116.57 119.04 1dfi h LYS 163 Ca 0.17 -0.28 -0.04 0.00 -2.18 0.00 0.00 60.65 58.31 1dfi h LYS 163 Cb 0.59 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.16 1dfi h LYS 163 CO 0.04 0.91 0.12 0.00 -1.08 0.00 0.00 179.45 179.44 1dfi h ALA 164 N 1.12 0.58 -0.82 3.86 0.00 -1.12 0.42 119.26 123.30 1dfi h ALA 164 Ca 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1dfi h ALA 164 Cb 0.60 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1dfi h ALA 164 CO 0.04 0.26 0.47 1.03 0.00 0.00 0.00 179.25 181.05 1dfi h SER 165 N 0.58 1.01 -0.42 0.00 0.87 -0.95 -2.05 113.55 112.59 1dfi h SER 165 Ca 0.14 -0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 1dfi h SER 165 Cb 0.30 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 1dfi h SER 165 CO -0.00 0.80 0.17 0.25 -0.53 0.00 0.00 176.83 177.52 1dfi h LEU 166 N 1.14 0.57 -1.62 2.23 5.85 -0.36 0.16 115.31 123.29 1dfi h LEU 166 Ca 0.29 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 1dfi h LEU 166 Cb -0.00 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1dfi h LEU 166 CO -0.05 0.58 -0.20 -0.33 -0.34 0.00 0.00 178.44 178.09 1dfi h GLU 167 N 0.53 0.00 0.00 1.25 5.08 0.10 -1.01 114.58 120.54 1dfi h GLU 167 Ca 0.14 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.29 1dfi h GLU 167 Cb 0.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1dfi h GLU 167 CO -0.01 0.20 -0.91 0.00 -1.00 0.00 0.00 179.01 177.29 1dfi h ALA 168 N 1.80 0.43 -0.91 3.43 0.00 -0.82 -2.93 119.26 120.25 1dfi h ALA 168 Ca -0.00 -0.71 0.10 0.00 0.00 0.00 0.00 54.91 54.30 1dfi h ALA 168 Cb 0.38 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 1dfi h ALA 168 CO 0.03 0.85 0.55 -0.97 0.00 0.00 0.00 179.25 179.71 1dfi h ASN 169 N 0.18 0.80 -0.38 0.00 -0.73 0.44 -1.38 115.58 114.52 1dfi h ASN 169 Ca -0.06 0.05 0.03 0.00 1.87 0.00 0.00 56.30 58.19 1dfi h ASN 169 Cb 1.54 -0.11 -0.04 0.00 0.27 0.00 0.00 38.32 39.99 1dfi h ASN 169 CO 0.15 0.44 0.17 0.58 -0.37 0.00 0.00 177.43 178.40 1dfi h VAL 170 N 0.90 0.94 -0.45 2.57 2.07 -1.05 0.71 116.25 121.93 1dfi h VAL 170 Ca 0.44 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.80 1dfi h VAL 170 Cb 0.41 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1dfi h VAL 170 CO -0.25 0.06 0.10 0.03 0.02 0.00 0.00 177.57 177.53 1dfi h ARG 171 N 0.35 0.74 -0.50 1.57 3.08 -1.27 -0.11 114.38 118.23 1dfi h ARG 171 Ca 0.16 -0.18 -0.10 0.00 0.07 0.00 0.00 59.98 59.93 1dfi h ARG 171 Cb 0.10 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 1dfi h ARG 171 CO -0.14 0.74 -0.10 1.88 -1.07 0.00 0.00 179.97 181.28 1dfi h TYR 172 N 0.61 1.01 -0.12 3.04 0.05 -1.05 -1.57 116.97 118.93 1dfi h TYR 172 Ca 0.14 -0.19 -0.03 0.00 0.05 0.00 0.00 58.73 58.70 1dfi h TYR 172 Cb 0.34 -0.25 -0.00 0.00 1.01 0.00 0.00 36.73 37.82 1dfi h TYR 172 CO 0.02 0.95 -0.03 0.52 -1.05 0.00 0.00 178.16 178.58 1dfi h MET 173 N 0.82 0.24 -0.95 4.88 2.86 -0.81 -1.79 114.93 120.18 1dfi h MET 173 Ca 0.13 -0.09 0.13 0.00 -2.06 0.00 0.00 59.70 57.81 1dfi h MET 173 Cb 0.62 -0.01 -0.09 0.00 0.06 0.00 0.00 31.60 32.18 1dfi h MET 173 CO 0.04 0.53 0.58 0.00 1.06 0.00 0.00 176.91 179.12 1dfi h ALA 174 N 0.70 1.44 -0.03 6.32 0.00 -0.84 -0.03 119.26 126.83 1dfi h ALA 174 Ca 0.03 0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 1dfi h ALA 174 Cb 0.44 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1dfi h ALA 174 CO 0.01 0.14 -0.79 -0.97 0.00 0.00 0.00 179.25 177.65 1dfi h ASN 175 N 0.89 0.35 0.06 0.00 -1.24 -1.23 -1.71 115.58 112.70 1dfi h ASN 175 Ca 0.48 -0.25 -0.26 0.00 0.71 0.00 0.00 56.30 56.98 1dfi h ASN 175 Cb 0.53 -0.10 0.02 0.00 0.73 0.00 0.00 38.32 39.49 1dfi h ASN 175 CO -0.29 1.00 -1.06 0.00 -1.29 0.00 0.00 177.43 175.80 1dfi h ALA 176 N 0.98 0.05 0.00 1.57 0.00 -0.36 -3.35 119.26 118.16 1dfi h ALA 176 Ca -0.04 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1dfi h ALA 176 Cb 1.37 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1dfi h ALA 176 CO 0.13 0.63 -0.69 -1.33 0.00 0.00 0.00 179.25 177.98 1dfi n MET 177 N -3.89 0.10 0.05 0.00 2.81 -0.13 -4.46 117.12 111.61 1dfi n MET 177 Ca -0.12 0.01 -0.12 0.00 -1.81 0.00 0.00 57.70 55.66 1dfi n MET 177 Cb 0.90 -1.54 -0.05 0.00 -0.71 0.00 0.00 33.22 31.81 1dfi n MET 177 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1dfi h GLY 178 N 4.84 -0.47 1.42 3.03 0.00 -1.31 -2.46 103.07 108.12 1dfi h GLY 178 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1dfi h GLY 178 CO 0.00 -0.22 0.26 -2.55 0.00 0.00 0.00 176.54 174.02 1dfi h PRO 179 N -0.44 0.00 -0.42 4.80 0.11 -1.81 0.24 132.00 134.48 1dfi h PRO 179 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1dfi h PRO 179 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1dfi h PRO 179 CO -0.26 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 176.68 1dfi n GLU 180 N -2.52 3.22 -0.63 1.05 0.28 -0.96 -4.95 120.64 116.11 1dfi n GLU 180 Ca -0.02 -2.61 0.00 0.00 -0.16 0.00 0.00 57.16 54.37 1dfi n GLU 180 Cb 0.29 -1.68 0.00 0.00 1.43 0.00 0.00 31.44 31.48 1dfi n GLU 180 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1dfi n GLY 181 N 0.35 0.61 3.59 -1.84 0.00 0.83 -4.59 105.19 104.14 1dfi n GLY 181 Ca 0.20 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 1dfi n GLY 181 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dfi s VAL 182 N -2.00 4.00 0.09 1.61 1.01 -0.97 -0.66 120.40 123.47 1dfi s VAL 182 Ca 0.00 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 61.69 1dfi s VAL 182 Cb 0.00 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 1dfi s VAL 182 CO 0.00 0.56 -0.03 -0.13 0.00 0.00 0.00 175.10 175.50 1dfi s ARG 183 N -0.37 2.45 -0.02 2.72 0.52 -0.82 -3.37 118.95 120.06 1dfi s ARG 183 Ca 0.06 -0.88 0.00 0.00 -0.52 0.00 0.00 55.73 54.40 1dfi s ARG 183 Cb -0.12 -2.48 0.02 0.00 0.52 0.00 0.00 34.95 32.89 1dfi s ARG 183 CO 0.02 0.54 0.01 0.08 0.02 0.00 0.00 175.30 175.97 1dfi s VAL 184 N -1.27 0.07 0.30 3.52 1.01 -1.26 -0.51 120.40 122.26 1dfi s VAL 184 Ca 0.24 0.12 -0.09 0.00 0.00 0.00 0.00 61.98 62.25 1dfi s VAL 184 Cb -0.12 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 36.10 1dfi s VAL 184 CO 0.17 0.11 0.50 0.20 0.00 0.00 0.00 175.10 176.08 1dfi s ASN 185 N 0.89 0.35 0.08 3.32 0.01 -0.76 0.11 114.94 118.93 1dfi s ASN 185 Ca -0.08 -1.20 0.02 0.00 -0.71 0.00 0.00 52.86 50.89 1dfi s ASN 185 Cb -0.12 0.65 -0.04 0.00 0.41 0.00 0.00 41.25 42.15 1dfi s ASN 185 CO -0.02 -1.27 -0.07 0.00 -1.51 0.00 0.00 177.10 174.23 1dfi s ALA 186 N -3.41 0.88 -0.14 0.60 0.00 0.27 -2.33 121.76 117.62 1dfi s ALA 186 Ca 0.25 -1.17 -0.02 0.00 0.00 0.00 0.00 51.96 51.03 1dfi s ALA 186 Cb -0.01 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 1dfi s ALA 186 CO 0.14 -0.15 -0.09 0.42 0.00 0.00 0.00 175.76 176.08 1dfi s ILE 187 N -2.84 3.36 -0.59 0.00 1.01 -0.54 -0.78 121.20 120.82 1dfi s ILE 187 Ca 0.05 -0.55 -0.14 0.00 0.00 0.00 0.00 60.65 60.01 1dfi s ILE 187 Cb -0.00 -2.44 0.15 0.00 0.01 0.00 0.00 42.46 40.17 1dfi s ILE 187 CO -0.03 0.51 0.53 -0.55 0.00 0.00 0.00 174.94 175.40 1dfi s SER 188 N 0.41 6.21 0.25 3.58 0.15 0.49 0.42 113.70 125.21 1dfi s SER 188 Ca -0.08 -2.00 -0.21 0.00 0.70 0.00 0.00 55.95 54.36 1dfi s SER 188 Cb -0.15 -2.18 -0.09 0.00 -1.71 0.00 0.00 66.02 61.90 1dfi s SER 188 CO 0.04 -0.77 0.78 0.00 1.20 0.00 0.00 173.24 174.49 1dfi s ALA 189 N 1.26 3.36 0.83 5.45 0.00 -0.99 -1.31 121.76 130.37 1dfi s ALA 189 Ca 0.06 0.25 -0.11 0.00 0.00 0.00 0.00 51.96 52.16 1dfi s ALA 189 Cb -0.26 -2.91 0.12 0.00 0.00 0.00 0.00 23.12 20.08 1dfi s ALA 189 CO 0.00 0.29 1.18 0.20 0.00 0.00 0.00 175.76 177.43 1dfi s GLY 190 N -1.64 1.69 0.32 0.00 0.00 -0.58 -4.46 107.32 102.65 1dfi s GLY 190 Ca 0.45 -1.00 -0.29 0.00 0.00 0.00 0.00 44.72 43.88 1dfi s GLY 190 CO 0.22 -0.42 1.54 2.56 0.00 0.00 0.00 173.10 176.99 1dfi s PRO 191 N -5.59 4.14 -0.26 2.90 0.04 -1.26 -4.89 135.00 130.09 1dfi s PRO 191 Ca 0.66 2.54 -0.05 0.00 0.04 0.00 0.00 61.00 64.20 1dfi s PRO 191 Cb -0.08 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.45 1dfi s PRO 191 CO 0.49 -0.57 0.01 0.42 0.04 0.00 0.00 177.00 177.39 1dfi s ILE 192 N -0.39 3.57 0.48 0.56 1.01 -1.26 -4.26 121.20 120.91 1dfi s ILE 192 Ca 0.59 -0.64 0.30 0.00 0.00 0.00 0.00 60.65 60.90 1dfi s ILE 192 Cb -0.47 -2.75 0.50 0.00 0.01 0.00 0.00 42.46 39.76 1dfi s ILE 192 CO 0.52 0.25 1.75 -0.09 0.00 0.00 0.00 174.94 177.37 1dfi h ARG 193 N 8.15 0.14 -0.02 2.79 2.43 -1.94 0.35 114.38 126.28 1dfi h ARG 193 Ca -0.36 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 1dfi h ARG 193 Cb 1.14 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 1dfi h ARG 193 CO 0.59 0.09 -0.14 0.25 -1.51 0.00 0.00 179.97 179.26 1dfi n THR 194 N -4.39 0.00 0.00 0.20 -2.24 -1.26 -5.19 114.28 101.40 1dfi n THR 194 Ca 0.28 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1dfi n THR 194 Cb 1.20 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 70.15 1dfi n THR 194 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1dfi n LEU 195 N 0.09 0.00 0.00 3.22 7.94 0.12 -4.89 117.00 123.48 1dfi n LEU 195 Ca 0.15 -0.07 0.00 0.00 -1.11 0.00 0.00 56.01 54.98 1dfi n LEU 195 Cb 0.41 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.36 1dfi n LEU 195 CO 0.21 0.00 0.00 0.80 -1.11 0.00 0.00 177.39 177.29 1dfi n MET 206 N -1.28 0.00 -0.35 1.96 0.00 -1.26 -4.73 117.12 111.46 1dfi n MET 206 Ca 0.00 0.00 0.34 0.00 0.00 0.00 0.00 57.70 58.04 1dfi n MET 206 Cb 0.00 0.00 0.72 0.00 0.00 0.00 0.00 33.22 33.94 1dfi n MET 206 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1dfi h LEU 207 N 0.00 0.08 -0.80 -0.89 3.38 -2.01 1.48 115.31 116.55 1dfi h LEU 207 Ca 0.00 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 1dfi h LEU 207 Cb 0.00 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1dfi h LEU 207 CO 0.00 0.01 -0.59 0.00 0.09 0.00 0.00 178.44 177.95 1dfi h ALA 208 N 1.42 1.00 -0.15 1.53 0.00 -2.05 0.33 119.26 121.35 1dfi h ALA 208 Ca 0.60 -0.54 -0.21 0.00 0.00 0.00 0.00 54.91 54.77 1dfi h ALA 208 Cb 2.25 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.96 1dfi h ALA 208 CO -0.07 0.74 -0.72 1.25 0.00 0.00 0.00 179.25 180.45 1dfi h HIS 209 N 0.00 1.01 -0.44 0.00 -0.00 0.15 -2.06 115.15 113.80 1dfi h HIS 209 Ca -0.01 -0.44 0.06 0.00 -0.00 0.00 0.00 60.37 59.98 1dfi h HIS 209 Cb 1.06 -0.16 -0.05 0.00 -0.00 0.00 0.00 27.41 28.26 1dfi h HIS 209 CO 0.00 1.27 0.13 0.00 -0.00 0.00 0.00 177.93 179.33 1dfi h GLU 211 N 0.28 1.04 -0.79 0.00 5.08 -0.34 0.46 114.58 120.31 1dfi h GLU 211 Ca 0.21 -0.39 0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1dfi h GLU 211 Cb 0.22 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 1dfi h GLU 211 CO -0.23 1.09 0.52 0.00 -1.00 0.00 0.00 179.01 179.38 1dfi h ALA 212 N 0.92 1.62 0.00 3.43 0.00 -0.91 -2.99 119.26 121.33 1dfi h ALA 212 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1dfi h ALA 212 Cb 0.70 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1dfi h ALA 212 CO 0.05 0.26 -1.32 1.33 0.00 0.00 0.00 179.25 179.58 1dfi n VAL 213 N -4.48 0.00 -2.38 0.00 0.24 -0.29 -4.91 118.33 106.51 1dfi n VAL 213 Ca 0.12 -0.16 -0.42 0.00 -2.04 0.00 0.00 64.34 61.84 1dfi n VAL 213 Cb 0.21 0.68 -0.03 0.00 -1.47 0.00 0.00 33.84 33.22 1dfi n VAL 213 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1dfi s THR 214 N -3.15 3.72 0.21 3.34 2.01 0.12 -4.89 115.64 116.99 1dfi s THR 214 Ca 0.03 1.35 -0.17 0.00 0.31 0.00 0.00 61.69 63.21 1dfi s THR 214 Cb 0.15 -3.86 0.20 0.00 0.01 0.00 0.00 72.50 69.00 1dfi s THR 214 CO 0.88 0.17 1.59 -0.65 -0.69 0.00 0.00 174.62 175.92 1dfi h PRO 215 N 5.90 -0.08 0.00 4.92 0.11 -1.83 0.50 132.00 141.52 1dfi h PRO 215 Ca -0.43 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1dfi h PRO 215 Cb 1.21 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1dfi h PRO 215 CO 0.78 -0.05 0.00 0.44 -0.21 0.00 0.00 178.00 178.95 1dfi n ILE 216 N -5.46 0.00 -4.03 4.15 -5.35 -1.22 -4.89 119.36 102.56 1dfi n ILE 216 Ca 0.07 0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.25 1dfi n ILE 216 Cb 0.36 -0.40 -0.01 0.00 -1.74 0.00 0.00 39.64 37.86 1dfi n ILE 216 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1dfi n ARG 217 N -0.76 -3.86 -3.56 6.28 5.12 0.18 -4.94 116.66 115.11 1dfi n ARG 217 Ca 0.09 0.45 -0.07 0.00 -1.93 0.00 0.00 57.85 56.39 1dfi n ARG 217 Cb 0.04 -5.00 -0.02 0.00 -1.16 0.00 0.00 32.46 26.32 1dfi n ARG 217 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1dfi s ARG 218 N -6.67 0.85 0.49 5.56 1.70 -1.26 -4.87 118.95 114.75 1dfi s ARG 218 Ca 0.43 -0.36 -0.15 0.00 -0.47 0.00 0.00 55.73 55.18 1dfi s ARG 218 Cb -0.23 0.36 -0.08 0.00 -0.57 0.00 0.00 34.95 34.44 1dfi s ARG 218 CO 0.89 -0.38 0.94 0.95 -1.08 0.00 0.00 175.30 176.62 1dfi s THR 219 N -3.09 4.58 0.78 4.99 -4.23 -1.26 -4.85 115.64 112.57 1dfi s THR 219 Ca 0.07 1.10 -0.11 0.00 -1.18 0.00 0.00 61.69 61.57 1dfi s THR 219 Cb -0.01 -3.72 0.06 0.00 1.34 0.00 0.00 72.50 70.17 1dfi s THR 219 CO -0.06 -0.66 1.08 0.68 -0.54 0.00 0.00 174.62 175.12 1dfi s VAL 220 N -2.58 3.31 0.41 2.29 -7.23 -1.26 -4.98 120.40 110.36 1dfi s VAL 220 Ca 0.57 0.43 0.07 0.00 -1.81 0.00 0.00 61.98 61.24 1dfi s VAL 220 Cb -0.10 -3.08 -0.07 0.00 0.56 0.00 0.00 36.38 33.70 1dfi s VAL 220 CO 0.31 -0.56 0.08 0.42 -0.31 0.00 0.00 175.10 175.05 1dfi s THR 221 N -3.04 2.11 -0.18 5.32 -4.23 -1.26 -4.46 115.64 109.89 1dfi s THR 221 Ca 0.61 -1.88 0.28 0.00 -1.18 0.00 0.00 61.69 59.52 1dfi s THR 221 Cb -0.15 -2.98 0.31 0.00 1.34 0.00 0.00 72.50 71.01 1dfi s THR 221 CO 0.55 0.00 1.84 0.16 -0.54 0.00 0.00 174.62 176.64 1dfi h ILE 222 N 1.62 0.00 -0.04 2.99 3.07 -1.96 -0.74 117.51 122.46 1dfi h ILE 222 Ca -0.43 -0.29 -0.14 0.00 1.55 0.00 0.00 64.86 65.55 1dfi h ILE 222 Cb 1.25 1.10 0.01 0.00 -0.27 0.00 0.00 36.82 38.91 1dfi h ILE 222 CO 0.76 0.00 -0.51 -0.33 -1.05 0.00 0.00 178.15 177.03 1dfi h GLU 223 N 0.00 0.41 -0.24 0.16 3.07 -1.95 0.24 114.58 116.27 1dfi h GLU 223 Ca 0.00 -0.39 0.04 0.00 -0.50 0.00 0.00 59.36 58.51 1dfi h GLU 223 Cb 0.35 0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 28.33 1dfi h GLU 223 CO 0.00 1.05 0.01 -0.44 -1.40 0.00 0.00 179.01 178.23 1dfi h ASP 224 N -0.09 -0.07 -0.23 1.42 3.32 -1.58 -1.51 116.42 117.68 1dfi h ASP 224 Ca -0.05 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1dfi h ASP 224 Cb 1.20 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 1dfi h ASP 224 CO 0.10 -0.00 0.09 0.58 -1.72 0.00 0.00 179.24 178.29 1dfi h VAL 225 N 0.09 1.17 -0.64 -1.35 2.07 -1.14 -2.79 116.25 113.65 1dfi h VAL 225 Ca 0.11 -0.50 0.07 0.00 0.82 0.00 0.00 66.70 67.21 1dfi h VAL 225 Cb 0.13 1.07 -0.06 0.00 -1.52 0.00 0.00 31.29 30.91 1dfi h VAL 225 CO -0.18 0.17 0.32 1.23 0.02 0.00 0.00 177.57 179.13 1dfi h GLY 226 N 0.22 0.94 1.51 2.17 0.00 -0.26 0.46 103.07 108.12 1dfi h GLY 226 Ca 0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 1dfi h GLY 226 CO -0.01 0.08 0.24 3.43 0.00 0.00 0.00 176.54 180.29 1dfi h ASN 227 N 0.57 0.57 -0.08 0.19 2.35 -1.27 0.32 115.58 118.23 1dfi h ASN 227 Ca 0.31 -0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 55.94 1dfi h ASN 227 Cb 0.28 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1dfi h ASN 227 CO -0.23 0.48 -0.23 0.28 -1.65 0.00 0.00 177.43 176.07 1dfi h SER 228 N 0.65 0.35 -0.43 5.81 0.02 -0.98 -2.51 113.55 116.47 1dfi h SER 228 Ca 0.17 -0.60 0.05 0.00 -0.84 0.00 0.00 61.79 60.57 1dfi h SER 228 Cb 0.04 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.43 1dfi h SER 228 CO -0.03 0.89 0.16 0.00 -1.14 0.00 0.00 176.83 176.71 1dfi h ALA 229 N 0.47 0.51 -0.45 3.77 0.00 -0.60 -0.62 119.26 122.35 1dfi h ALA 229 Ca -0.01 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1dfi h ALA 229 Cb 0.85 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1dfi h ALA 229 CO 0.05 -0.23 0.21 0.00 0.00 0.00 0.00 179.25 179.28 1dfi h ALA 230 N 1.27 0.56 -0.40 0.00 0.00 -0.38 -1.02 119.26 119.29 1dfi h ALA 230 Ca 0.20 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1dfi h ALA 230 Cb 0.18 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1dfi h ALA 230 CO -0.20 -0.15 0.22 0.35 0.00 0.00 0.00 179.25 179.48 1dfi h PHE 231 N 0.43 0.55 0.00 0.00 3.57 -1.13 -2.35 116.94 118.01 1dfi h PHE 231 Ca 0.20 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 1dfi h PHE 231 Cb 0.12 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.68 1dfi h PHE 231 CO -0.11 0.43 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.26 1dfi h LEU 232 N 0.52 0.00 -1.41 0.59 3.38 -0.67 -1.68 115.31 116.04 1dfi h LEU 232 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1dfi h LEU 232 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1dfi h LEU 232 CO -0.02 0.06 -0.12 0.00 0.09 0.00 0.00 178.44 178.45 1dfi s SER 234 N -2.14 5.89 0.10 0.00 1.04 -0.63 -4.68 113.70 113.28 1dfi s SER 234 Ca 0.28 -0.21 0.15 0.00 0.48 0.00 0.00 55.95 56.65 1dfi s SER 234 Cb 0.20 -1.25 0.66 0.00 0.10 0.00 0.00 66.02 65.73 1dfi s SER 234 CO 0.38 -0.38 1.47 0.47 0.98 0.00 0.00 173.24 176.16 1dfi n ASP 235 N -1.57 0.23 0.27 7.02 8.00 -1.26 -1.69 116.55 127.54 1dfi n ASP 235 Ca -0.01 0.57 0.13 0.00 0.71 0.00 0.00 54.79 56.18 1dfi n ASP 235 Cb 0.58 -0.61 0.76 0.00 -0.02 0.00 0.00 41.12 41.83 1dfi n ASP 235 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1dfi h LEU 236 N 0.00 0.00 -3.78 0.64 3.38 -1.87 -2.78 115.31 110.91 1dfi h LEU 236 Ca 0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.61 1dfi h LEU 236 Cb 0.22 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 40.75 1dfi h LEU 236 CO 0.00 0.10 0.39 -1.54 0.09 0.00 0.00 178.44 177.48 1dfi n SER 237 N -3.72 3.75 0.29 -0.43 3.41 -0.68 -4.71 113.62 111.53 1dfi n SER 237 Ca -0.02 -3.53 0.17 0.00 -0.26 0.00 0.00 58.87 55.23 1dfi n SER 237 Cb 0.20 -0.77 0.87 0.00 -0.26 0.00 0.00 64.21 64.26 1dfi n SER 237 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dfi h ALA 238 N 1.43 1.46 -0.13 7.33 0.00 -1.65 -1.25 119.26 126.44 1dfi h ALA 238 Ca 0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1dfi h ALA 238 Cb 2.45 0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.25 1dfi h ALA 238 CO 0.84 -0.33 0.00 0.41 0.00 0.00 0.00 179.25 180.17 1dfi n GLY 239 N -1.26 0.81 3.26 0.00 0.00 -1.26 -4.85 105.19 101.89 1dfi n GLY 239 Ca -0.00 -0.60 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 1dfi n GLY 239 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dfi s ILE 240 N -1.85 3.38 -0.05 -0.61 1.01 -0.47 -5.09 121.20 117.51 1dfi s ILE 240 Ca 0.34 -0.89 -0.07 0.00 0.00 0.00 0.00 60.65 60.02 1dfi s ILE 240 Cb 0.20 -2.74 0.02 0.00 0.01 0.00 0.00 42.46 39.95 1dfi s ILE 240 CO 0.31 0.13 0.19 -0.55 0.00 0.00 0.00 174.94 175.01 1dfi s SER 241 N 1.40 -0.15 -0.03 3.58 0.15 -1.26 -4.75 113.70 112.65 1dfi s SER 241 Ca 0.01 0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.90 1dfi s SER 241 Cb -0.17 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 1dfi s SER 241 CO -0.01 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.88 1dfi n GLY 242 N 2.53 0.44 3.92 9.45 0.00 0.29 -4.94 105.19 116.88 1dfi n GLY 242 Ca -0.15 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.84 1dfi n GLY 242 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1dfi s GLU 243 N -1.37 3.42 -0.33 1.61 2.56 -1.25 -4.58 118.70 118.76 1dfi s GLU 243 Ca 0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 54.97 54.48 1dfi s GLU 243 Cb 0.00 -3.02 0.07 0.00 2.00 0.00 0.00 34.13 33.18 1dfi s GLU 243 CO 0.00 0.59 0.05 0.08 -0.56 0.00 0.00 175.26 175.43 1dfi s VAL 244 N -1.55 2.96 -0.18 3.70 1.01 -1.26 -0.57 120.40 124.52 1dfi s VAL 244 Ca 0.35 -1.66 -0.16 0.00 0.00 0.00 0.00 61.98 60.51 1dfi s VAL 244 Cb -0.13 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 1dfi s VAL 244 CO 0.28 -0.30 0.38 -0.69 0.00 0.00 0.00 175.10 174.77 1dfi s VAL 245 N 1.18 5.23 -0.25 2.92 1.01 0.04 -4.88 120.40 125.66 1dfi s VAL 245 Ca -0.00 0.70 -0.23 0.00 0.00 0.00 0.00 61.98 62.45 1dfi s VAL 245 Cb -0.20 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 1dfi s VAL 245 CO -0.03 0.30 0.74 -1.00 0.00 0.00 0.00 175.10 175.11 1dfi s HIS 246 N 0.96 3.30 -0.66 5.22 3.76 -1.26 -0.38 115.29 126.22 1dfi s HIS 246 Ca 0.19 0.98 0.06 0.00 -0.15 0.00 0.00 55.06 56.15 1dfi s HIS 246 Cb -0.14 -2.95 0.23 0.00 1.11 0.00 0.00 32.58 30.82 1dfi s HIS 246 CO 0.07 -0.37 0.67 0.28 -0.85 0.00 0.00 174.74 174.55 1dfi n VAL 247 N 5.23 2.17 -2.08 -0.90 0.31 -0.43 -4.75 118.33 117.88 1dfi n VAL 247 Ca 0.03 -5.12 0.01 0.00 -0.01 0.00 0.00 64.34 59.24 1dfi n VAL 247 Cb 0.48 -2.13 0.01 0.00 -0.91 0.00 0.00 33.84 31.29 1dfi n VAL 247 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1dfi n ASP 248 N 1.19 0.20 -2.09 4.52 5.75 -1.26 -1.53 116.55 123.33 1dfi n ASP 248 Ca 0.27 -2.01 -0.21 0.00 -0.01 0.00 0.00 54.79 52.83 1dfi n ASP 248 Cb 0.39 -0.22 -0.04 0.00 -1.03 0.00 0.00 41.12 40.22 1dfi n ASP 248 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dfi n GLY 249 N 0.07 0.45 1.72 6.12 0.00 -1.26 -1.85 105.19 110.44 1dfi n GLY 249 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1dfi n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dfi n GLY 250 N -0.79 0.72 0.24 -0.02 0.00 -1.26 -3.41 105.19 100.68 1dfi n GLY 250 Ca -0.23 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.80 1dfi n GLY 250 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1dfi h PHE 251 N 0.00 0.24 0.00 1.61 3.04 -1.71 -1.82 116.94 118.29 1dfi h PHE 251 Ca 0.00 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.99 1dfi h PHE 251 Cb 0.00 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 38.50 1dfi h PHE 251 CO 0.00 -0.03 0.00 0.66 -2.02 0.00 0.00 178.31 176.92 1dfi h SER 252 N 0.28 0.00 -0.37 0.41 4.64 -1.93 -3.16 113.55 113.42 1dfi h SER 252 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1dfi h SER 252 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1dfi h SER 252 CO -0.41 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 177.85 1dfi n ILE 253 N -2.75 0.48 -4.32 0.95 -6.64 -0.68 -4.92 119.36 101.47 1dfi n ILE 253 Ca 0.01 -0.62 -0.26 0.00 -1.77 0.00 0.00 62.75 60.11 1dfi n ILE 253 Cb 0.25 0.60 -0.10 0.00 -1.44 0.00 0.00 39.64 38.95 1dfi n ILE 253 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1dfi s ALA 254 N -1.52 2.87 0.03 -1.28 0.00 -1.20 -5.15 121.76 115.52 1dfi s ALA 254 Ca 0.36 -1.53 -0.05 0.00 0.00 0.00 0.00 51.96 50.74 1dfi s ALA 254 Cb 0.20 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 1dfi s ALA 254 CO 0.28 0.44 0.09 0.00 0.00 0.00 0.00 175.76 176.57 1dfi s ALA 255 N -1.76 -0.08 -1.04 0.00 0.00 -1.26 -4.92 121.76 112.69 1dfi s ALA 255 Ca 0.25 -0.50 -0.02 0.00 0.00 0.00 0.00 51.96 51.68 1dfi s ALA 255 Cb -0.08 0.23 0.02 0.00 0.00 0.00 0.00 23.12 23.28 1dfi s ALA 255 CO 0.14 -0.29 0.13 -1.33 0.00 0.00 0.00 175.76 174.41 1dfi n MET 256 N 0.90 -2.63 0.00 0.00 2.81 -1.26 -4.80 117.12 112.14 1dfi n MET 256 Ca -0.20 0.53 0.11 0.00 -1.81 0.00 0.00 57.70 56.33 1dfi n MET 256 Cb 0.58 -5.15 0.55 0.00 -0.71 0.00 0.00 33.22 28.48 1dfi n MET 256 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1dfi n ASN 257 N -1.91 0.00 -0.12 7.83 5.03 -1.26 -5.25 115.26 119.58 1dfi n ASN 257 Ca -0.10 0.14 0.16 0.00 0.87 0.00 0.00 54.58 55.64 1dfi n ASN 257 Cb 0.59 -0.36 0.84 0.00 -1.02 0.00 0.00 39.78 39.83 1dfi n ASN 257 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81