#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dm5 s VAL 3 N 0.00 3.81 0.16 1.55 -7.23 -1.26 -4.88 120.40 112.55 1dm5 s VAL 3 Ca 0.00 -0.38 -0.23 0.00 -1.81 0.00 0.00 61.98 59.55 1dm5 s VAL 3 Cb 0.00 -2.67 0.06 0.00 0.56 0.00 0.00 36.38 34.33 1dm5 s VAL 3 CO 0.00 0.48 0.70 0.00 -0.31 0.00 0.00 175.10 175.97 1dm5 s GLN 4 N 0.48 1.33 0.00 4.82 -2.07 -1.05 -4.93 119.66 118.24 1dm5 s GLN 4 Ca -0.04 -0.58 0.00 0.00 -1.82 0.00 0.00 55.36 52.92 1dm5 s GLN 4 Cb -0.14 0.55 0.00 0.00 -1.09 0.00 0.00 33.01 32.33 1dm5 s GLN 4 CO 0.03 -0.59 0.00 0.41 -1.32 0.00 0.00 175.29 173.82 1dm5 n GLY 5 N -0.39 0.12 0.00 2.60 0.00 -1.11 -1.89 105.19 104.52 1dm5 n GLY 5 Ca -0.12 -1.86 0.01 0.00 0.00 0.00 0.00 46.02 44.05 1dm5 n GLY 5 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1dm5 n THR 6 N -1.56 0.03 -3.10 2.61 -2.24 0.10 -4.35 114.28 105.78 1dm5 n THR 6 Ca 0.00 -0.08 -0.39 0.00 -2.27 0.00 0.00 64.05 61.31 1dm5 n THR 6 Cb 0.00 0.19 -0.05 0.00 -2.10 0.00 0.00 70.33 68.37 1dm5 n THR 6 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1dm5 s VAL 7 N -2.18 5.03 0.10 2.28 1.01 -1.04 -4.96 120.40 120.64 1dm5 s VAL 7 Ca -0.01 1.37 0.07 0.00 0.00 0.00 0.00 61.98 63.40 1dm5 s VAL 7 Cb 0.02 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 1dm5 s VAL 7 CO 0.12 0.29 -0.18 -0.54 0.00 0.00 0.00 175.10 174.80 1dm5 s LYS 8 N 0.60 1.02 0.30 2.72 -0.14 -1.26 -4.78 119.74 118.19 1dm5 s LYS 8 Ca 0.35 -1.12 -0.29 0.00 -1.36 0.00 0.00 55.97 53.56 1dm5 s LYS 8 Cb -0.18 -1.13 -0.13 0.00 -1.68 0.00 0.00 37.83 34.71 1dm5 s LYS 8 CO 0.17 0.25 1.18 -2.30 -0.76 0.00 0.00 175.35 173.90 1dm5 n PRO 9 N 1.02 1.76 -2.75 -1.68 -0.02 -1.26 -4.14 135.00 127.92 1dm5 n PRO 9 Ca -0.19 0.62 -0.41 0.00 -2.02 0.00 0.00 63.50 61.49 1dm5 n PRO 9 Cb 0.54 -2.12 -0.04 0.00 -0.02 0.00 0.00 33.50 31.87 1dm5 n PRO 9 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1dm5 s HIS 10 N -0.92 3.72 0.56 6.00 2.46 -1.25 -4.89 115.29 120.96 1dm5 s HIS 10 Ca 0.59 1.70 -0.15 0.00 0.47 0.00 0.00 55.06 57.67 1dm5 s HIS 10 Cb -0.64 -3.06 -0.06 0.00 -0.13 0.00 0.00 32.58 28.69 1dm5 s HIS 10 CO 0.59 0.10 1.01 0.00 -2.47 0.00 0.00 174.74 173.97 1dm5 s ALA 11 N 0.54 3.00 -1.47 1.58 0.00 -1.26 -3.60 121.76 120.55 1dm5 s ALA 11 Ca 0.48 0.16 -0.07 0.00 0.00 0.00 0.00 51.96 52.53 1dm5 s ALA 11 Cb -0.22 -3.13 0.05 0.00 0.00 0.00 0.00 23.12 19.82 1dm5 s ALA 11 CO 0.28 -0.46 0.71 0.43 0.00 0.00 0.00 175.76 176.72 1dm5 n SER 12 N -1.96 -2.34 -4.68 0.00 7.64 -1.26 -4.88 113.62 106.14 1dm5 n SER 12 Ca 0.07 -0.90 -0.42 0.00 1.01 0.00 0.00 58.87 58.63 1dm5 n SER 12 Cb 0.54 -3.48 -0.03 0.00 -1.01 0.00 0.00 64.21 60.23 1dm5 n SER 12 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1dm5 s PHE 13 N -3.58 2.34 -0.36 1.43 5.36 -1.24 -4.99 117.98 116.94 1dm5 s PHE 13 Ca 0.32 0.31 0.01 0.00 -0.96 0.00 0.00 56.93 56.61 1dm5 s PHE 13 Cb -0.17 -3.95 0.11 0.00 -0.34 0.00 0.00 43.02 38.68 1dm5 s PHE 13 CO 0.86 -3.83 0.15 1.21 -1.46 0.00 0.00 175.22 172.16 1dm5 s ASN 14 N 2.58 3.90 0.29 6.13 3.84 -1.26 -5.01 114.94 125.41 1dm5 s ASN 14 Ca 0.74 -2.07 0.01 0.00 0.21 0.00 0.00 52.86 51.74 1dm5 s ASN 14 Cb -0.38 -0.97 0.53 0.00 -0.55 0.00 0.00 41.25 39.88 1dm5 s ASN 14 CO 0.32 -0.35 1.89 0.77 -2.79 0.00 0.00 177.10 176.93 1dm5 h SER 15 N 7.50 0.92 -0.23 -4.21 4.64 -1.94 -1.32 113.55 118.92 1dm5 h SER 15 Ca -0.07 0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.22 1dm5 h SER 15 Cb 0.98 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.88 1dm5 h SER 15 CO 0.47 0.57 0.02 -0.09 -0.87 0.00 0.00 176.83 176.92 1dm5 h ARG 16 N 1.03 0.51 -0.07 4.77 2.43 -1.95 -0.71 114.38 120.40 1dm5 h ARG 16 Ca 0.43 -0.10 -0.13 0.00 -0.81 0.00 0.00 59.98 59.37 1dm5 h ARG 16 Cb 0.29 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1dm5 h ARG 16 CO -0.18 0.52 -0.45 0.93 -1.51 0.00 0.00 179.97 179.28 1dm5 h GLU 17 N 0.49 0.42 -0.52 0.20 5.08 -1.71 -2.48 114.58 116.06 1dm5 h GLU 17 Ca 0.11 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 1dm5 h GLU 17 Cb 0.29 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 1dm5 h GLU 17 CO 0.01 1.01 0.26 -0.44 -1.00 0.00 0.00 179.01 178.85 1dm5 h ASP 18 N -0.04 0.65 0.27 1.42 5.19 -1.17 -0.26 116.42 122.47 1dm5 h ASP 18 Ca -0.04 -0.05 -0.16 0.00 -0.62 0.00 0.00 57.03 56.16 1dm5 h ASP 18 Cb 1.11 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.45 1dm5 h ASP 18 CO 0.09 0.54 -0.62 0.00 -3.12 0.00 0.00 179.24 176.14 1dm5 h ALA 19 N 1.56 0.76 -0.31 3.45 0.00 -1.15 -2.14 119.26 121.43 1dm5 h ALA 19 Ca 0.18 -0.55 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 1dm5 h ALA 19 Cb 0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1dm5 h ALA 19 CO -0.03 0.73 -0.21 0.93 0.00 0.00 0.00 179.25 180.67 1dm5 h GLU 20 N 0.25 0.59 -0.04 0.00 4.39 -0.78 -1.81 114.58 117.19 1dm5 h GLU 20 Ca -0.01 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.47 1dm5 h GLU 20 Cb 1.14 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.75 1dm5 h GLU 20 CO 0.10 0.76 -0.00 1.15 -1.16 0.00 0.00 179.01 179.86 1dm5 h THR 21 N 0.52 1.26 -0.92 1.13 2.02 -0.88 -1.00 112.91 115.04 1dm5 h THR 21 Ca 0.08 -0.79 0.17 0.00 0.77 0.00 0.00 66.41 66.65 1dm5 h THR 21 Cb 0.65 1.71 -0.10 0.00 -1.74 0.00 0.00 68.15 68.67 1dm5 h THR 21 CO 0.05 0.21 0.50 -0.07 0.37 0.00 0.00 175.52 176.58 1dm5 h LEU 22 N -0.23 0.61 -0.21 2.58 3.38 -1.34 -0.10 115.31 119.99 1dm5 h LEU 22 Ca 0.01 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1dm5 h LEU 22 Cb 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1dm5 h LEU 22 CO 0.00 0.22 0.11 -0.09 0.09 0.00 0.00 178.44 178.77 1dm5 h ARG 23 N 0.66 0.30 -0.43 1.13 1.12 -0.96 -3.00 114.38 113.20 1dm5 h ARG 23 Ca 0.52 -0.04 -0.04 0.00 -1.11 0.00 0.00 59.98 59.31 1dm5 h ARG 23 Cb 0.80 -0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 30.68 1dm5 h ARG 23 CO -0.39 0.31 0.10 0.87 -3.11 0.00 0.00 179.97 177.74 1dm5 h LYS 24 N 0.23 0.65 0.00 0.20 6.56 0.23 0.97 116.57 125.41 1dm5 h LYS 24 Ca 0.07 -0.12 -0.01 0.00 -1.06 0.00 0.00 60.65 59.54 1dm5 h LYS 24 Cb 0.10 -0.10 -0.00 0.00 -0.57 0.00 0.00 32.23 31.65 1dm5 h LYS 24 CO -0.01 0.60 -0.02 0.00 -2.06 0.00 0.00 179.45 177.95 1dm5 h ALA 25 N 1.48 1.07 0.00 3.86 0.00 -0.95 -3.15 119.26 121.57 1dm5 h ALA 25 Ca 0.14 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1dm5 h ALA 25 Cb 0.25 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1dm5 h ALA 25 CO -0.00 0.03 -1.58 -1.33 0.00 0.00 0.00 179.25 176.37 1dm5 n MET 26 N -3.22 1.09 -2.17 0.00 2.81 -0.24 -1.43 117.12 113.95 1dm5 n MET 26 Ca -0.02 -0.06 -0.41 0.00 -1.81 0.00 0.00 57.70 55.40 1dm5 n MET 26 Cb 0.18 -1.26 -0.03 0.00 -0.71 0.00 0.00 33.22 31.40 1dm5 n MET 26 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1dm5 s LYS 27 N -2.57 4.36 0.00 0.03 2.20 0.17 -4.81 119.74 119.12 1dm5 s LYS 27 Ca -0.04 2.11 0.00 0.00 -0.36 0.00 0.00 55.97 57.67 1dm5 s LYS 27 Cb 0.06 -3.18 0.00 0.00 -1.51 0.00 0.00 37.83 33.19 1dm5 s LYS 27 CO 0.44 -0.30 0.00 0.41 -0.36 0.00 0.00 175.35 175.54 1dm5 n GLY 28 N 2.44 -0.59 3.73 5.54 0.00 -1.26 -4.87 105.19 110.18 1dm5 n GLY 28 Ca 0.07 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 43.91 1dm5 n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dm5 s ILE 29 N -1.20 4.05 0.00 -0.61 -1.09 -1.26 -4.79 121.20 116.29 1dm5 s ILE 29 Ca 0.00 1.61 0.00 0.00 -2.23 0.00 0.00 60.65 60.03 1dm5 s ILE 29 Cb 0.00 -4.03 0.00 0.00 -1.58 0.00 0.00 42.46 36.85 1dm5 s ILE 29 CO 0.00 0.20 0.00 0.61 -1.23 0.00 0.00 174.94 174.52 1dm5 n GLY 30 N 2.59 2.55 3.03 6.18 0.00 -1.26 -5.08 105.19 113.20 1dm5 n GLY 30 Ca 0.05 -1.67 -0.28 0.00 0.00 0.00 0.00 46.02 44.13 1dm5 n GLY 30 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dm5 s THR 31 N -1.60 1.38 -1.23 2.61 2.01 -1.26 -4.66 115.64 112.89 1dm5 s THR 31 Ca 0.00 -0.57 -0.09 0.00 0.31 0.00 0.00 61.69 61.35 1dm5 s THR 31 Cb 0.00 -1.27 0.20 0.00 0.01 0.00 0.00 72.50 71.44 1dm5 s THR 31 CO 0.00 0.42 1.73 -0.67 -0.69 0.00 0.00 174.62 175.41 1dm5 n ASP 32 N 4.26 5.40 0.16 3.53 4.64 -0.52 -4.84 116.55 129.18 1dm5 n ASP 32 Ca -0.19 -3.16 0.19 0.00 -1.38 0.00 0.00 54.79 50.25 1dm5 n ASP 32 Cb 0.51 -1.44 0.79 0.00 -1.04 0.00 0.00 41.12 39.94 1dm5 n ASP 32 CO 0.00 0.00 0.00 -0.33 -0.82 0.00 0.00 177.20 176.05 1dm5 h GLU 33 N 5.83 0.00 -0.13 -0.67 3.07 -1.98 -1.69 114.58 119.01 1dm5 h GLU 33 Ca 0.34 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 59.00 1dm5 h GLU 33 Cb 0.65 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.57 1dm5 h GLU 33 CO 1.51 0.00 -0.73 0.87 -1.40 0.00 0.00 179.01 179.26 1dm5 h LYS 34 N 0.00 0.63 -0.23 2.33 6.56 -1.98 0.31 116.57 124.19 1dm5 h LYS 34 Ca 0.13 -0.50 -0.18 0.00 -1.06 0.00 0.00 60.65 59.04 1dm5 h LYS 34 Cb 0.79 0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.56 1dm5 h LYS 34 CO -0.00 1.12 -0.56 1.03 -2.06 0.00 0.00 179.45 178.98 1dm5 h SER 35 N 0.44 0.88 -0.43 0.86 0.87 -1.74 0.08 113.55 114.51 1dm5 h SER 35 Ca -0.04 -0.57 0.03 0.00 -1.23 0.00 0.00 61.79 59.99 1dm5 h SER 35 Cb 1.33 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 63.00 1dm5 h SER 35 CO 0.14 1.29 0.23 0.40 -0.53 0.00 0.00 176.83 178.35 1dm5 h ILE 36 N 0.51 0.99 -0.83 2.23 2.04 -1.47 0.81 117.51 121.80 1dm5 h ILE 36 Ca -0.01 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 1dm5 h ILE 36 Cb 1.17 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.71 1dm5 h ILE 36 CO 0.12 0.08 0.46 0.74 0.00 0.00 0.00 178.15 179.55 1dm5 h THR 37 N 0.45 1.24 0.37 -0.27 2.02 -0.30 -1.54 112.91 114.89 1dm5 h THR 37 Ca 0.18 -0.60 -0.02 0.00 0.77 0.00 0.00 66.41 66.74 1dm5 h THR 37 Cb 0.07 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.60 1dm5 h THR 37 CO -0.11 0.27 -0.18 -0.74 0.37 0.00 0.00 175.52 175.13 1dm5 h HIS 38 N 1.16 -0.47 -0.17 3.16 -0.00 -0.06 -0.61 115.15 118.17 1dm5 h HIS 38 Ca 0.29 -0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.70 1dm5 h HIS 38 Cb 0.03 0.15 -0.05 0.00 -0.00 0.00 0.00 27.41 27.54 1dm5 h HIS 38 CO 0.00 -0.19 -0.11 0.82 -0.00 0.00 0.00 177.93 178.46 1dm5 h ILE 39 N -0.69 0.66 -0.80 6.26 1.08 -0.83 -1.73 117.51 121.47 1dm5 h ILE 39 Ca -0.05 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.42 1dm5 h ILE 39 Cb 0.49 0.66 -0.04 0.00 -3.07 0.00 0.00 36.82 34.86 1dm5 h ILE 39 CO 0.08 0.00 0.50 -0.07 -0.69 0.00 0.00 178.15 177.97 1dm5 h LEU 40 N -0.11 0.94 0.00 1.44 3.38 -1.20 -2.76 115.31 117.00 1dm5 h LEU 40 Ca 0.10 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1dm5 h LEU 40 Cb 0.26 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1dm5 h LEU 40 CO -0.24 0.71 -0.54 0.00 0.09 0.00 0.00 178.44 178.46 1dm5 h ALA 41 N 1.27 0.71 -0.16 1.53 0.00 -0.94 -3.31 119.26 118.36 1dm5 h ALA 41 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1dm5 h ALA 41 Cb -0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1dm5 h ALA 41 CO -0.06 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.44 1dm5 n THR 42 N -2.61 0.18 -4.47 0.00 -2.24 -0.67 -4.76 114.28 99.72 1dm5 n THR 42 Ca 0.02 -0.59 -0.32 0.00 -2.27 0.00 0.00 64.05 60.89 1dm5 n THR 42 Cb 0.51 1.30 -0.11 0.00 -2.10 0.00 0.00 70.33 69.93 1dm5 n THR 42 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1dm5 s ARG 43 N -1.76 2.53 0.97 -0.78 3.00 -1.06 -3.75 118.95 118.11 1dm5 s ARG 43 Ca 0.31 -0.73 -0.12 0.00 0.00 0.00 0.00 55.73 55.19 1dm5 s ARG 43 Cb 0.20 -2.49 0.17 0.00 0.00 0.00 0.00 34.95 32.84 1dm5 s ARG 43 CO 0.30 0.60 1.09 -1.54 0.00 0.00 0.00 175.30 175.74 1dm5 s SER 44 N -1.41 2.79 0.19 0.23 1.04 -1.26 -4.77 113.70 110.51 1dm5 s SER 44 Ca 0.17 1.38 -0.10 0.00 0.48 0.00 0.00 55.95 57.88 1dm5 s SER 44 Cb -0.11 -2.06 0.10 0.00 0.10 0.00 0.00 66.02 64.05 1dm5 s SER 44 CO 0.07 -3.05 1.74 -1.13 0.98 0.00 0.00 173.24 171.85 1dm5 h ASN 45 N -1.83 0.94 -0.86 7.02 -0.73 -1.94 -1.19 115.58 116.98 1dm5 h ASN 45 Ca -0.53 -0.18 0.08 0.00 1.87 0.00 0.00 56.30 57.54 1dm5 h ASN 45 Cb 1.31 -0.24 -0.07 0.00 0.27 0.00 0.00 38.32 39.59 1dm5 h ASN 45 CO 0.55 0.87 0.52 0.00 -0.37 0.00 0.00 177.43 178.99 1dm5 h ALA 46 N 1.11 1.21 -0.41 1.57 0.00 -1.96 -1.09 119.26 119.70 1dm5 h ALA 46 Ca 0.22 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 1dm5 h ALA 46 Cb 0.23 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1dm5 h ALA 46 CO -0.01 0.19 0.05 1.96 0.00 0.00 0.00 179.25 181.44 1dm5 h GLN 47 N 0.89 0.68 -0.80 0.00 4.20 -1.78 -2.24 115.11 116.07 1dm5 h GLN 47 Ca 0.40 -0.19 0.15 0.00 0.06 0.00 0.00 58.65 59.07 1dm5 h GLN 47 Cb 0.29 -0.08 -0.06 0.00 0.30 0.00 0.00 27.48 27.94 1dm5 h GLN 47 CO -0.22 0.74 0.53 0.00 -0.67 0.00 0.00 178.83 179.21 1dm5 h ARG 48 N 0.53 0.46 -0.54 1.46 3.08 -0.24 -1.25 114.38 117.88 1dm5 h ARG 48 Ca 0.12 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 60.05 1dm5 h ARG 48 Cb 0.40 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1dm5 h ARG 48 CO 0.01 0.31 -0.05 1.96 -1.07 0.00 0.00 179.97 181.13 1dm5 h GLN 49 N 0.48 0.96 -0.42 0.04 1.08 -0.61 -0.24 115.11 116.39 1dm5 h GLN 49 Ca 0.40 -0.31 -0.15 0.00 -1.45 0.00 0.00 58.65 57.13 1dm5 h GLN 49 Cb 0.85 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.19 1dm5 h GLN 49 CO -0.14 0.98 -0.32 0.37 -0.95 0.00 0.00 178.83 178.77 1dm5 h GLN 50 N 0.87 0.96 -0.75 1.46 4.15 -1.21 -1.99 115.11 118.61 1dm5 h GLN 50 Ca 0.15 -0.46 -0.03 0.00 0.77 0.00 0.00 58.65 59.07 1dm5 h GLN 50 Cb 0.58 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.23 1dm5 h GLN 50 CO 0.04 1.13 0.33 0.82 -1.93 0.00 0.00 178.83 179.21 1dm5 h ILE 51 N 0.80 1.24 -0.61 2.39 2.04 -0.99 0.15 117.51 122.53 1dm5 h ILE 51 Ca 0.08 -0.73 0.02 0.00 1.00 0.00 0.00 64.86 65.23 1dm5 h ILE 51 Cb 0.91 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 1dm5 h ILE 51 CO 0.08 0.30 0.39 0.11 0.00 0.00 0.00 178.15 179.03 1dm5 h LYS 52 N 1.07 0.75 0.28 2.37 1.57 -0.91 0.17 116.57 121.88 1dm5 h LYS 52 Ca 0.25 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1dm5 h LYS 52 Cb 0.16 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1dm5 h LYS 52 CO -0.03 0.50 -0.20 1.15 -0.57 0.00 0.00 179.45 180.30 1dm5 h THR 53 N 0.77 0.58 -0.20 -0.16 2.02 -0.57 -1.52 112.91 113.83 1dm5 h THR 53 Ca 0.24 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.38 1dm5 h THR 53 Cb -0.02 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1dm5 h THR 53 CO -0.08 0.00 -0.03 0.44 0.37 0.00 0.00 175.52 176.22 1dm5 h ASP 54 N -0.47 0.28 -0.16 4.18 3.45 -0.58 -1.75 116.42 121.36 1dm5 h ASP 54 Ca -0.02 -0.04 -0.03 0.00 0.43 0.00 0.00 57.03 57.37 1dm5 h ASP 54 Cb 0.41 -0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 39.10 1dm5 h ASP 54 CO 0.01 0.36 -0.01 0.22 -1.57 0.00 0.00 179.24 178.25 1dm5 h TYR 55 N 0.29 0.32 -0.68 4.55 5.03 -0.44 -0.51 116.97 125.53 1dm5 h TYR 55 Ca 0.07 -0.06 -0.06 0.00 2.58 0.00 0.00 58.73 61.26 1dm5 h TYR 55 Cb 0.26 -0.08 -0.03 0.00 1.55 0.00 0.00 36.73 38.43 1dm5 h TYR 55 CO 0.01 0.53 0.19 1.15 -1.32 0.00 0.00 178.16 178.71 1dm5 h THR 56 N 0.02 1.26 -0.24 1.81 2.02 -1.06 -1.12 112.91 115.59 1dm5 h THR 56 Ca 0.04 -0.91 -0.01 0.00 0.77 0.00 0.00 66.41 66.30 1dm5 h THR 56 Cb 0.41 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1dm5 h THR 56 CO 0.01 0.35 0.12 0.74 0.37 0.00 0.00 175.52 177.11 1dm5 h THR 57 N 1.00 1.13 -0.04 3.16 2.02 -1.19 0.45 112.91 119.44 1dm5 h THR 57 Ca 0.22 -0.37 0.01 0.00 0.77 0.00 0.00 66.41 67.04 1dm5 h THR 57 Cb 0.33 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1dm5 h THR 57 CO -0.00 0.13 -0.02 -0.07 0.37 0.00 0.00 175.52 175.93 1dm5 h LEU 58 N 0.26 -0.07 -0.15 2.58 3.38 -1.02 -3.38 115.31 116.91 1dm5 h LEU 58 Ca 0.08 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1dm5 h LEU 58 Cb 0.10 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1dm5 h LEU 58 CO -0.01 -0.03 -0.14 0.49 0.09 0.00 0.00 178.44 178.84 1dm5 n PHE 59 N -5.13 0.00 -1.08 1.13 3.72 -0.43 -5.01 117.46 110.66 1dm5 n PHE 59 Ca -0.06 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.31 1dm5 n PHE 59 Cb 0.06 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.59 1dm5 n PHE 59 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1dm5 n GLY 60 N 0.97 0.60 2.93 1.37 0.00 0.16 -5.01 105.19 106.20 1dm5 n GLY 60 Ca 0.01 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.25 1dm5 n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dm5 s LYS 61 N -1.76 0.22 0.43 1.61 1.02 -1.26 -5.07 119.74 114.93 1dm5 s LYS 61 Ca 0.00 -0.20 -0.22 0.00 0.02 0.00 0.00 55.97 55.57 1dm5 s LYS 61 Cb 0.00 -0.15 -0.10 0.00 -0.52 0.00 0.00 37.83 37.06 1dm5 s LYS 61 CO 0.00 0.04 0.99 -1.01 -0.92 0.00 0.00 175.35 174.45 1dm5 s HIS 62 N -0.33 3.26 0.13 3.18 3.76 -1.26 -3.72 115.29 120.31 1dm5 s HIS 62 Ca -0.02 1.63 -0.19 0.00 -0.15 0.00 0.00 55.06 56.33 1dm5 s HIS 62 Cb -0.03 -2.98 -0.04 0.00 1.11 0.00 0.00 32.58 30.65 1dm5 s HIS 62 CO -0.00 -0.37 1.78 1.25 -0.85 0.00 0.00 174.74 176.54 1dm5 h LEU 63 N 2.10 0.23 -0.95 0.89 6.46 -1.92 -2.11 115.31 120.01 1dm5 h LEU 63 Ca -0.49 0.00 0.13 0.00 -0.12 0.00 0.00 57.88 57.40 1dm5 h LEU 63 Cb 1.20 -0.05 -0.09 0.00 -0.73 0.00 0.00 40.66 40.99 1dm5 h LEU 63 CO 0.61 0.17 0.57 -0.33 -0.62 0.00 0.00 178.44 178.84 1dm5 h GLU 64 N 0.29 0.84 -0.02 1.25 3.07 -1.97 -0.37 114.58 117.67 1dm5 h GLU 64 Ca 0.09 -0.05 -0.09 0.00 -0.50 0.00 0.00 59.36 58.81 1dm5 h GLU 64 Cb -0.01 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 27.70 1dm5 h GLU 64 CO -0.04 0.56 -0.41 -0.44 -1.40 0.00 0.00 179.01 177.27 1dm5 h ASP 65 N 0.87 0.05 -0.48 1.42 3.32 -1.79 0.29 116.42 120.09 1dm5 h ASP 65 Ca 0.49 -0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.38 1dm5 h ASP 65 Cb 0.55 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 1dm5 h ASP 65 CO -0.30 0.46 -0.23 -0.33 -1.72 0.00 0.00 179.24 177.12 1dm5 h GLU 66 N 0.04 1.00 -0.47 3.56 4.39 -0.60 -3.02 114.58 119.48 1dm5 h GLU 66 Ca 0.00 -0.44 -0.12 0.00 0.34 0.00 0.00 59.36 59.14 1dm5 h GLU 66 Cb 0.75 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.36 1dm5 h GLU 66 CO 0.06 1.12 -0.18 -0.07 -1.16 0.00 0.00 179.01 178.77 1dm5 h LEU 67 N 0.86 0.97 -2.29 1.33 3.38 -0.71 -0.64 115.31 118.21 1dm5 h LEU 67 Ca 0.11 -0.39 0.03 0.00 0.09 0.00 0.00 57.88 57.72 1dm5 h LEU 67 Cb 0.81 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1dm5 h LEU 67 CO 0.07 1.14 0.10 0.11 0.09 0.00 0.00 178.44 179.95 1dm5 h LYS 68 N 0.80 0.00 0.02 1.13 1.57 -0.37 -0.28 116.57 119.44 1dm5 h LYS 68 Ca 0.11 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.62 1dm5 h LYS 68 Cb 0.75 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.02 1dm5 h LYS 68 CO 0.06 0.00 -1.50 0.45 -0.57 0.00 0.00 179.45 177.89 1dm5 n SER 69 N -3.93 1.92 0.17 0.86 2.88 -1.00 -4.54 113.62 109.97 1dm5 n SER 69 Ca -0.01 0.37 0.12 0.00 -1.33 0.00 0.00 58.87 58.02 1dm5 n SER 69 Cb 0.21 -0.93 0.10 0.00 -0.75 0.00 0.00 64.21 62.83 1dm5 n SER 69 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1dm5 h GLU 70 N -0.80 0.00 -6.06 -1.46 4.39 -0.97 -3.46 114.58 106.21 1dm5 h GLU 70 Ca -0.39 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 58.73 1dm5 h GLU 70 Cb 1.46 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 30.01 1dm5 h GLU 70 CO -0.17 0.00 -0.62 -0.51 -1.16 0.00 0.00 179.01 176.55 1dm5 s LEU 71 N -5.82 3.03 0.33 1.33 1.43 -0.13 -5.02 118.68 113.83 1dm5 s LEU 71 Ca 0.04 -0.91 -0.13 0.00 -1.03 0.00 0.00 54.13 52.10 1dm5 s LEU 71 Cb 0.07 -1.45 0.03 0.00 0.03 0.00 0.00 46.19 44.87 1dm5 s LEU 71 CO 0.72 -0.20 0.64 -0.94 0.23 0.00 0.00 176.35 176.80 1dm5 s SER 72 N -3.72 0.18 0.70 2.29 1.04 -1.26 -4.74 113.70 108.18 1dm5 s SER 72 Ca 0.34 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.67 1dm5 s SER 72 Cb -0.02 0.74 0.00 0.00 0.10 0.00 0.00 66.02 66.84 1dm5 s SER 72 CO 0.20 -1.44 0.00 0.61 0.98 0.00 0.00 173.24 173.59 1dm5 n GLY 73 N -0.50 1.11 0.30 7.32 0.00 -1.26 -1.80 105.19 110.36 1dm5 n GLY 73 Ca -0.04 -0.57 0.19 0.00 0.00 0.00 0.00 46.02 45.60 1dm5 n GLY 73 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1dm5 h ASN 74 N 6.32 0.00 -0.08 1.61 2.35 -1.99 -2.39 115.58 121.39 1dm5 h ASN 74 Ca 0.00 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 1dm5 h ASN 74 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1dm5 h ASN 74 CO 0.00 0.00 -0.22 0.22 -1.65 0.00 0.00 177.43 175.79 1dm5 h TYR 75 N 0.00 0.38 -0.53 1.19 -0.00 -1.86 -0.64 116.97 115.50 1dm5 h TYR 75 Ca -0.00 -0.15 0.07 0.00 -0.00 0.00 0.00 58.73 58.65 1dm5 h TYR 75 Cb 0.32 -0.07 -0.06 0.00 -0.00 0.00 0.00 36.73 36.93 1dm5 h TYR 75 CO 0.00 0.83 0.22 1.49 -0.00 0.00 0.00 178.16 180.70 1dm5 h GLU 76 N -0.18 0.41 -0.59 1.82 4.81 -1.06 0.33 114.58 120.11 1dm5 h GLU 76 Ca -0.00 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1dm5 h GLU 76 Cb 0.83 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.09 1dm5 h GLU 76 CO 0.05 0.27 0.22 0.00 -0.73 0.00 0.00 179.01 178.81 1dm5 h ALA 77 N 1.34 0.77 -0.03 2.92 0.00 -1.35 -0.73 119.26 122.18 1dm5 h ALA 77 Ca 0.25 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1dm5 h ALA 77 Cb 0.25 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1dm5 h ALA 77 CO -0.23 0.40 -0.72 0.00 0.00 0.00 0.00 179.25 178.69 1dm5 h ALA 78 N 1.07 0.74 -0.42 0.00 0.00 -0.63 -0.64 119.26 119.37 1dm5 h ALA 78 Ca 0.19 -0.63 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 1dm5 h ALA 78 Cb 0.23 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1dm5 h ALA 78 CO -0.01 0.83 0.04 0.00 0.00 0.00 0.00 179.25 180.10 1dm5 h ALA 79 N 1.15 0.57 -0.22 0.00 0.00 -0.55 -2.27 119.26 117.93 1dm5 h ALA 79 Ca -0.02 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 1dm5 h ALA 79 Cb 1.28 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1dm5 h ALA 79 CO 0.11 0.31 -0.28 -0.07 0.00 0.00 0.00 179.25 179.32 1dm5 h LEU 80 N 0.57 0.43 -1.00 0.00 4.07 -1.08 -2.44 115.31 115.87 1dm5 h LEU 80 Ca 0.12 -0.15 0.05 0.00 0.08 0.00 0.00 57.88 57.98 1dm5 h LEU 80 Cb 0.43 -0.12 -0.06 0.00 1.08 0.00 0.00 40.66 41.98 1dm5 h LEU 80 CO 0.01 0.70 0.65 0.00 -1.08 0.00 0.00 178.44 178.73 1dm5 h ALA 81 N 1.33 1.35 0.00 1.53 0.00 -0.71 -2.03 119.26 120.72 1dm5 h ALA 81 Ca 0.05 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1dm5 h ALA 81 Cb 0.69 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1dm5 h ALA 81 CO 0.05 0.49 -0.38 -0.07 0.00 0.00 0.00 179.25 179.35 1dm5 h LEU 82 N 1.22 0.00 -0.05 0.00 3.38 -0.93 -3.20 115.31 115.74 1dm5 h LEU 82 Ca 0.41 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.26 1dm5 h LEU 82 Cb 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1dm5 h LEU 82 CO -0.15 0.38 -0.57 -0.07 0.09 0.00 0.00 178.44 178.12 1dm5 h LEU 83 N 0.00 0.00 -9.92 1.67 3.38 -1.21 -3.45 115.31 105.77 1dm5 h LEU 83 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.43 1dm5 h LEU 83 Cb 0.92 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.76 1dm5 h LEU 83 CO 0.05 0.57 0.72 -0.13 0.09 0.00 0.00 178.44 179.74 1dm5 s ARG 84 N -2.95 4.21 0.76 1.13 1.81 -1.13 -4.81 118.95 117.97 1dm5 s ARG 84 Ca 0.03 2.43 -0.14 0.00 -1.72 0.00 0.00 55.73 56.33 1dm5 s ARG 84 Cb 0.08 -3.01 0.06 0.00 -0.45 0.00 0.00 34.95 31.63 1dm5 s ARG 84 CO 0.75 -0.39 1.18 0.15 -0.68 0.00 0.00 175.30 176.31 1dm5 s LYS 85 N -1.95 1.97 0.21 3.54 1.02 -1.26 -4.72 119.74 118.55 1dm5 s LYS 85 Ca 0.51 1.65 -0.09 0.00 0.02 0.00 0.00 55.97 58.06 1dm5 s LYS 85 Cb -0.44 -1.83 0.17 0.00 -0.52 0.00 0.00 37.83 35.21 1dm5 s LYS 85 CO 0.59 -1.94 1.85 -1.35 -0.92 0.00 0.00 175.35 173.58 1dm5 h PRO 86 N -0.64 1.08 -0.44 -1.68 0.11 -1.95 0.36 132.00 128.83 1dm5 h PRO 86 Ca -0.46 -0.10 -0.06 0.00 0.11 0.00 0.00 66.00 65.48 1dm5 h PRO 86 Cb 1.28 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1dm5 h PRO 86 CO 0.48 0.77 0.04 -0.44 -0.21 0.00 0.00 178.00 178.64 1dm5 h ASP 87 N 1.09 0.73 -0.58 -2.05 3.32 -1.92 -2.63 116.42 114.38 1dm5 h ASP 87 Ca 0.28 -0.28 0.02 0.00 0.02 0.00 0.00 57.03 57.08 1dm5 h ASP 87 Cb -0.03 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.29 1dm5 h ASP 87 CO -0.05 0.83 0.35 -0.33 -1.72 0.00 0.00 179.24 178.32 1dm5 h GLU 88 N 0.61 0.68 -0.42 3.56 5.08 -1.81 0.64 114.58 122.91 1dm5 h GLU 88 Ca 0.13 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1dm5 h GLU 88 Cb 0.43 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1dm5 h GLU 88 CO 0.01 0.45 0.25 0.35 -1.00 0.00 0.00 179.01 179.07 1dm5 h PHE 89 N 0.70 0.56 -0.30 4.33 3.57 -0.82 0.41 116.94 125.40 1dm5 h PHE 89 Ca 0.23 -0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.55 1dm5 h PHE 89 Cb 0.01 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.56 1dm5 h PHE 89 CO -0.06 0.41 -0.49 -0.07 -2.23 0.00 0.00 178.31 175.87 1dm5 h LEU 90 N 0.55 0.90 -0.73 0.59 3.38 -1.28 -0.41 115.31 118.31 1dm5 h LEU 90 Ca 0.15 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 1dm5 h LEU 90 Cb 0.01 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 1dm5 h LEU 90 CO -0.03 1.24 0.45 0.00 0.09 0.00 0.00 178.44 180.19 1dm5 h ALA 91 N 0.79 0.93 -0.25 1.53 0.00 -0.63 -0.73 119.26 120.91 1dm5 h ALA 91 Ca 0.03 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1dm5 h ALA 91 Cb 1.08 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1dm5 h ALA 91 CO 0.11 0.39 -0.21 1.49 0.00 0.00 0.00 179.25 181.04 1dm5 h GLU 92 N 1.00 0.45 -0.60 0.00 4.81 -0.76 -1.53 114.58 117.94 1dm5 h GLU 92 Ca 0.26 -0.15 -0.07 0.00 -0.13 0.00 0.00 59.36 59.27 1dm5 h GLU 92 Cb -0.05 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1dm5 h GLU 92 CO -0.05 0.63 0.09 1.96 -0.73 0.00 0.00 179.01 180.92 1dm5 h GLN 93 N 0.40 0.99 -0.11 1.92 1.08 -0.44 0.42 115.11 119.39 1dm5 h GLN 93 Ca 0.07 -0.27 -0.00 0.00 -1.45 0.00 0.00 58.65 57.00 1dm5 h GLN 93 Cb 0.59 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.90 1dm5 h GLN 93 CO 0.04 0.94 0.05 -0.07 -0.95 0.00 0.00 178.83 178.84 1dm5 h LEU 94 N 0.89 0.14 -0.05 1.46 3.38 -0.85 -0.41 115.31 119.87 1dm5 h LEU 94 Ca 0.18 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.08 1dm5 h LEU 94 Cb 0.43 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 1dm5 h LEU 94 CO 0.01 0.20 -0.50 -0.74 0.09 0.00 0.00 178.44 177.50 1dm5 h HIS 95 N 0.06 -1.45 -0.50 1.13 2.76 -1.10 -0.65 115.15 115.40 1dm5 h HIS 95 Ca 0.04 0.05 0.10 0.00 -2.20 0.00 0.00 60.37 58.36 1dm5 h HIS 95 Cb 0.10 0.64 -0.03 0.00 1.55 0.00 0.00 27.41 29.67 1dm5 h HIS 95 CO -0.04 -0.54 0.34 0.00 -1.30 0.00 0.00 177.93 176.40 1dm5 h ALA 96 N -0.22 2.15 0.00 5.26 0.00 -0.78 0.17 119.26 125.84 1dm5 h ALA 96 Ca 0.04 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1dm5 h ALA 96 Cb 0.69 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1dm5 h ALA 96 CO -0.38 -0.27 -0.33 0.00 0.00 0.00 0.00 179.25 178.27 1dm5 h ALA 97 N 1.75 0.93 0.03 0.00 0.00 0.38 -3.08 119.26 119.26 1dm5 h ALA 97 Ca 0.23 -0.30 -0.38 0.00 0.00 0.00 0.00 54.91 54.46 1dm5 h ALA 97 Cb 0.60 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1dm5 h ALA 97 CO -0.05 0.41 -2.37 -1.33 0.00 0.00 0.00 179.25 175.92 1dm5 n MET 98 N -3.39 0.67 0.00 0.00 2.81 -0.36 -1.62 117.12 115.24 1dm5 n MET 98 Ca 0.01 0.17 0.12 0.00 -1.81 0.00 0.00 57.70 56.18 1dm5 n MET 98 Cb 0.53 -1.56 0.11 0.00 -0.71 0.00 0.00 33.22 31.58 1dm5 n MET 98 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1dm5 n LYS 99 N -3.29 1.28 0.00 0.03 4.76 0.46 -4.80 118.16 116.61 1dm5 n LYS 99 Ca -0.42 -1.00 0.00 0.00 -2.87 0.00 0.00 58.31 54.02 1dm5 n LYS 99 Cb 1.01 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.72 1dm5 n LYS 99 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1dm5 n GLY 100 N 1.39 -1.70 3.59 0.72 0.00 -1.16 -4.92 105.19 103.11 1dm5 n GLY 100 Ca 0.11 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 1dm5 n GLY 100 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1dm5 s LEU 101 N 0.00 3.48 0.00 0.99 0.20 -1.26 -4.79 118.68 117.30 1dm5 s LEU 101 Ca 0.00 0.92 0.00 0.00 0.69 0.00 0.00 54.13 55.74 1dm5 s LEU 101 Cb 0.00 -3.31 0.00 0.00 -0.43 0.00 0.00 46.19 42.45 1dm5 s LEU 101 CO 0.00 -1.75 0.00 0.61 -0.29 0.00 0.00 176.35 174.92 1dm5 n GLY 102 N 5.36 -2.03 3.39 7.98 0.00 -1.26 -4.92 105.19 113.71 1dm5 n GLY 102 Ca 0.20 -1.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.49 1dm5 n GLY 102 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dm5 s THR 103 N -0.67 3.26 -1.12 2.61 2.01 -1.26 -4.68 115.64 115.80 1dm5 s THR 103 Ca 0.00 -0.58 -0.08 0.00 0.31 0.00 0.00 61.69 61.34 1dm5 s THR 103 Cb 0.00 -2.40 0.28 0.00 0.01 0.00 0.00 72.50 70.39 1dm5 s THR 103 CO 0.00 0.51 1.21 -0.67 -0.69 0.00 0.00 174.62 174.97 1dm5 n ASP 104 N 3.65 5.68 0.06 3.53 4.64 -0.64 -4.88 116.55 128.59 1dm5 n ASP 104 Ca -0.18 -3.11 -0.02 0.00 -1.38 0.00 0.00 54.79 50.10 1dm5 n ASP 104 Cb 0.52 -1.37 0.23 0.00 -1.04 0.00 0.00 41.12 39.46 1dm5 n ASP 104 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 1dm5 h LYS 105 N 6.43 0.36 -0.98 -0.67 1.57 -1.97 -1.93 116.57 119.38 1dm5 h LYS 105 Ca 0.19 -0.14 0.05 0.00 -1.87 0.00 0.00 60.65 58.87 1dm5 h LYS 105 Cb 0.82 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.05 1dm5 h LYS 105 CO 1.09 0.64 0.64 -0.91 -0.57 0.00 0.00 179.45 180.34 1dm5 h ASN 106 N 0.31 1.04 -0.58 0.86 -0.26 -2.00 0.13 115.58 115.09 1dm5 h ASN 106 Ca 0.04 -0.00 0.01 0.00 -0.56 0.00 0.00 56.30 55.79 1dm5 h ASN 106 Cb 0.71 -0.23 -0.03 0.00 -1.06 0.00 0.00 38.32 37.71 1dm5 h ASN 106 CO 0.05 0.70 0.38 0.00 -1.06 0.00 0.00 177.43 177.50 1dm5 h ALA 107 N 1.45 0.73 -0.56 -0.83 0.00 -1.79 -1.81 119.26 116.45 1dm5 h ALA 107 Ca 0.40 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 1dm5 h ALA 107 Cb 0.07 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1dm5 h ALA 107 CO -0.14 0.15 0.24 -0.07 0.00 0.00 0.00 179.25 179.43 1dm5 h LEU 108 N 0.76 0.74 -0.07 0.00 3.38 -0.44 -2.57 115.31 117.11 1dm5 h LEU 108 Ca 0.22 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 1dm5 h LEU 108 Cb -0.07 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.50 1dm5 h LEU 108 CO -0.06 0.65 -0.29 0.40 0.09 0.00 0.00 178.44 179.23 1dm5 h ILE 109 N 0.80 1.43 -0.57 1.22 2.04 -0.87 0.16 117.51 121.73 1dm5 h ILE 109 Ca 0.19 -1.71 0.11 0.00 1.00 0.00 0.00 64.86 64.46 1dm5 h ILE 109 Cb 0.14 2.34 -0.09 0.00 -0.74 0.00 0.00 36.82 38.47 1dm5 h ILE 109 CO -0.02 0.49 0.06 0.44 0.00 0.00 0.00 178.15 179.12 1dm5 h ASP 110 N -0.19 -0.12 0.18 1.72 3.45 -1.26 0.36 116.42 120.56 1dm5 h ASP 110 Ca -0.02 0.12 -0.26 0.00 0.43 0.00 0.00 57.03 57.31 1dm5 h ASP 110 Cb 0.94 0.19 0.02 0.00 -0.56 0.00 0.00 39.33 39.93 1dm5 h ASP 110 CO 0.06 -0.04 -1.17 0.40 -1.57 0.00 0.00 179.24 176.92 1dm5 h ILE 111 N 0.18 1.33 0.00 0.35 2.04 -1.46 -3.37 117.51 116.58 1dm5 h ILE 111 Ca 0.29 -2.56 -0.11 0.00 1.00 0.00 0.00 64.86 63.49 1dm5 h ILE 111 Cb 0.45 3.05 -0.02 0.00 -0.74 0.00 0.00 36.82 39.56 1dm5 h ILE 111 CO -0.43 0.75 -1.17 -0.07 0.00 0.00 0.00 178.15 177.23 1dm5 h LEU 112 N -0.18 0.00 -2.58 1.44 3.38 -0.49 -3.38 115.31 113.51 1dm5 h LEU 112 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1dm5 h LEU 112 Cb 1.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.60 1dm5 h LEU 112 CO 0.18 0.38 0.00 0.00 0.09 0.00 0.00 178.44 179.09 1dm5 n THR 114 N 1.62 0.00 -2.93 0.00 -2.24 -1.26 -4.36 114.28 105.11 1dm5 n THR 114 Ca 0.23 -0.25 -0.23 0.00 -2.27 0.00 0.00 64.05 61.53 1dm5 n THR 114 Cb 0.62 1.44 0.02 0.00 -2.10 0.00 0.00 70.33 70.31 1dm5 n THR 114 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1dm5 s GLN 115 N -0.06 2.98 0.64 -0.78 -1.52 -1.26 -5.09 119.66 114.57 1dm5 s GLN 115 Ca 0.00 -0.53 -0.05 0.00 -1.95 0.00 0.00 55.36 52.82 1dm5 s GLN 115 Cb 0.00 -2.55 0.04 0.00 -0.22 0.00 0.00 33.01 30.28 1dm5 s GLN 115 CO 0.00 -0.34 0.94 -1.54 -0.25 0.00 0.00 175.29 174.10 1dm5 s SER 116 N -4.25 5.17 0.16 5.90 1.04 -1.26 -4.88 113.70 115.58 1dm5 s SER 116 Ca 0.50 0.50 -0.21 0.00 0.48 0.00 0.00 55.95 57.22 1dm5 s SER 116 Cb -0.10 -1.32 0.05 0.00 0.10 0.00 0.00 66.02 64.75 1dm5 s SER 116 CO 0.38 -1.33 1.64 0.78 0.98 0.00 0.00 173.24 175.68 1dm5 h ASN 117 N -0.35 -0.67 -0.00 7.02 2.35 -1.93 -1.12 115.58 120.88 1dm5 h ASN 117 Ca -0.45 0.14 -0.07 0.00 -0.55 0.00 0.00 56.30 55.37 1dm5 h ASN 117 Cb 1.29 0.34 -0.01 0.00 0.05 0.00 0.00 38.32 39.98 1dm5 h ASN 117 CO 0.60 -0.24 -0.19 0.00 -1.65 0.00 0.00 177.43 175.95 1dm5 h ALA 118 N 0.97 1.31 -0.27 -0.83 0.00 -1.94 -1.40 119.26 117.10 1dm5 h ALA 118 Ca 0.16 -0.28 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 1dm5 h ALA 118 Cb 0.42 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1dm5 h ALA 118 CO -0.40 0.46 -0.55 1.96 0.00 0.00 0.00 179.25 180.72 1dm5 h GLN 119 N 0.32 0.81 -0.50 0.00 4.20 -1.74 -2.29 115.11 115.92 1dm5 h GLN 119 Ca 0.06 -0.51 -0.06 0.00 0.06 0.00 0.00 58.65 58.20 1dm5 h GLN 119 Cb 0.52 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 1dm5 h GLN 119 CO 0.03 1.14 0.08 0.82 -0.67 0.00 0.00 178.83 180.23 1dm5 h ILE 120 N 0.62 1.23 -0.43 2.54 1.08 -0.97 -1.95 117.51 119.63 1dm5 h ILE 120 Ca 0.01 -0.87 -0.10 0.00 -0.39 0.00 0.00 64.86 63.51 1dm5 h ILE 120 Cb 1.14 0.76 -0.01 0.00 -3.07 0.00 0.00 36.82 35.64 1dm5 h ILE 120 CO 0.12 0.32 -0.13 0.45 -0.69 0.00 0.00 178.15 178.22 1dm5 h HIS 121 N 0.75 0.96 -0.22 1.37 3.86 -1.13 0.10 115.15 120.83 1dm5 h HIS 121 Ca 0.16 -0.21 -0.07 0.00 -1.16 0.00 0.00 60.37 59.09 1dm5 h HIS 121 Cb 0.35 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 1dm5 h HIS 121 CO 0.02 0.97 -0.16 0.00 0.86 0.00 0.00 177.93 179.62 1dm5 h ALA 122 N 0.85 1.31 -0.28 2.45 0.00 -1.21 -0.91 119.26 121.48 1dm5 h ALA 122 Ca 0.11 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 1dm5 h ALA 122 Cb 0.67 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1dm5 h ALA 122 CO 0.05 0.46 -0.44 0.82 0.00 0.00 0.00 179.25 180.13 1dm5 h ILE 123 N 0.35 1.29 -0.88 0.00 2.04 -1.03 0.55 117.51 119.84 1dm5 h ILE 123 Ca 0.06 -1.63 0.00 0.00 1.00 0.00 0.00 64.86 64.29 1dm5 h ILE 123 Cb 0.49 1.64 -0.04 0.00 -0.74 0.00 0.00 36.82 38.17 1dm5 h ILE 123 CO 0.03 0.53 0.56 0.11 0.00 0.00 0.00 178.15 179.38 1dm5 h LYS 124 N 0.56 1.17 -0.30 2.37 1.57 -0.38 -0.58 116.57 120.99 1dm5 h LYS 124 Ca 0.02 -0.08 -0.16 0.00 -1.87 0.00 0.00 60.65 58.56 1dm5 h LYS 124 Cb 1.04 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 33.10 1dm5 h LYS 124 CO 0.10 0.79 -0.44 0.00 -0.57 0.00 0.00 179.45 179.33 1dm5 h ALA 125 N 1.31 0.46 -0.94 3.86 0.00 -0.96 -2.59 119.26 120.40 1dm5 h ALA 125 Ca 0.32 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1dm5 h ALA 125 Cb -0.10 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 1dm5 h ALA 125 CO -0.07 0.60 0.56 0.00 0.00 0.00 0.00 179.25 180.35 1dm5 h ALA 126 N 0.70 1.22 -0.22 0.00 0.00 -0.76 -1.85 119.26 118.36 1dm5 h ALA 126 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1dm5 h ALA 126 Cb 1.04 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1dm5 h ALA 126 CO 0.10 0.66 0.14 0.35 0.00 0.00 0.00 179.25 180.51 1dm5 h PHE 127 N 1.29 0.28 -0.01 0.00 3.04 -0.95 -0.37 116.94 120.22 1dm5 h PHE 127 Ca 0.34 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.29 1dm5 h PHE 127 Cb -0.05 -0.09 -0.00 0.00 2.56 0.00 0.00 35.95 38.37 1dm5 h PHE 127 CO 0.01 0.19 0.00 -0.22 -2.02 0.00 0.00 178.31 176.27 1dm5 h LYS 128 N 0.29 0.01 -0.87 1.11 3.64 -1.30 0.20 116.57 119.65 1dm5 h LYS 128 Ca 0.08 -0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.58 1dm5 h LYS 128 Cb -0.02 -0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.73 1dm5 h LYS 128 CO -0.02 0.15 0.56 1.25 -2.27 0.00 0.00 179.45 179.13 1dm5 h LEU 129 N -0.12 0.69 0.02 5.20 5.85 -1.26 1.44 115.31 127.13 1dm5 h LEU 129 Ca 0.00 0.03 -0.26 0.00 0.84 0.00 0.00 57.88 58.50 1dm5 h LEU 129 Cb 0.14 -0.11 0.02 0.00 0.37 0.00 0.00 40.66 41.08 1dm5 h LEU 129 CO -0.00 0.37 -1.02 -0.07 -0.34 0.00 0.00 178.44 177.38 1dm5 h LEU 130 N 0.74 0.87 -0.70 2.25 3.38 -0.63 -3.40 115.31 117.83 1dm5 h LEU 130 Ca 0.42 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1dm5 h LEU 130 Cb 0.59 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1dm5 h LEU 130 CO -0.19 1.51 0.00 -1.22 0.09 0.00 0.00 178.44 178.64 1dm5 n TYR 131 N -3.89 0.00 0.00 1.13 4.02 0.68 -4.99 117.16 114.11 1dm5 n TYR 131 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.78 1dm5 n TYR 131 Cb 0.87 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.19 1dm5 n TYR 131 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1dm5 n LYS 132 N -0.09 0.00 -2.64 -0.72 0.00 0.49 -4.95 118.16 110.25 1dm5 n LYS 132 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 58.31 58.04 1dm5 n LYS 132 Cb 0.05 -1.74 0.01 0.00 0.00 0.00 0.00 35.03 33.34 1dm5 n LYS 132 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1dm5 s GLU 133 N 0.00 3.32 -0.06 1.64 0.41 -1.26 -4.94 118.70 117.81 1dm5 s GLU 133 Ca 0.00 0.05 -0.21 0.00 -0.41 0.00 0.00 54.97 54.40 1dm5 s GLU 133 Cb 0.00 -2.38 -0.04 0.00 -1.78 0.00 0.00 34.13 29.93 1dm5 s GLU 133 CO 0.00 -0.33 0.61 0.34 -0.49 0.00 0.00 175.26 175.39 1dm5 s ASP 134 N -4.17 6.91 0.10 -0.19 3.68 -1.26 -3.92 116.67 117.82 1dm5 s ASP 134 Ca 0.49 1.08 -0.23 0.00 2.13 0.00 0.00 52.55 56.02 1dm5 s ASP 134 Cb -0.10 -2.36 -0.12 0.00 -1.45 0.00 0.00 42.92 38.88 1dm5 s ASP 134 CO 0.44 -0.01 1.72 0.25 0.13 0.00 0.00 175.17 177.69 1dm5 h LEU 135 N 6.37 -0.13 -1.11 -1.34 5.85 -1.94 -2.01 115.31 121.01 1dm5 h LEU 135 Ca -0.42 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.38 1dm5 h LEU 135 Cb 1.19 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 42.22 1dm5 h LEU 135 CO 0.73 -0.07 0.61 -0.08 -0.34 0.00 0.00 178.44 179.29 1dm5 h GLU 136 N -0.08 1.04 -0.37 1.25 4.81 -1.96 -1.10 114.58 118.16 1dm5 h GLU 136 Ca 0.02 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.06 1dm5 h GLU 136 Cb 0.10 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 1dm5 h GLU 136 CO -0.05 0.69 -0.30 0.87 -0.73 0.00 0.00 179.01 179.49 1dm5 h LYS 137 N 1.07 0.79 -0.27 1.92 1.79 -1.88 -1.82 116.57 118.17 1dm5 h LYS 137 Ca 0.40 -0.36 -0.14 0.00 -2.18 0.00 0.00 60.65 58.37 1dm5 h LYS 137 Cb 0.19 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 1dm5 h LYS 137 CO -0.15 0.99 -0.40 0.93 -1.08 0.00 0.00 179.45 179.74 1dm5 h GLU 138 N 0.67 0.64 -0.50 3.15 4.39 -0.64 -2.99 114.58 119.31 1dm5 h GLU 138 Ca 0.08 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.45 1dm5 h GLU 138 Cb 0.83 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.47 1dm5 h GLU 138 CO 0.07 0.93 0.33 0.82 -1.16 0.00 0.00 179.01 180.00 1dm5 h ILE 139 N 0.53 1.13 0.00 3.13 1.08 -1.03 -2.23 117.51 120.12 1dm5 h ILE 139 Ca 0.05 -0.24 -0.02 0.00 -0.39 0.00 0.00 64.86 64.26 1dm5 h ILE 139 Cb 0.92 0.40 -0.00 0.00 -3.07 0.00 0.00 36.82 35.07 1dm5 h ILE 139 CO 0.08 0.13 -0.09 0.40 -0.69 0.00 0.00 178.15 177.98 1dm5 h ILE 140 N 0.67 0.47 0.00 -0.67 2.04 -1.26 -0.87 117.51 117.89 1dm5 h ILE 140 Ca 0.18 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1dm5 h ILE 140 Cb -0.08 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1dm5 h ILE 140 CO -0.04 0.09 -0.44 -1.54 0.00 0.00 0.00 178.15 176.22 1dm5 n SER 141 N -3.56 0.73 -0.24 1.72 3.41 -0.87 -3.95 113.62 110.87 1dm5 n SER 141 Ca -0.02 0.25 0.04 0.00 -0.26 0.00 0.00 58.87 58.88 1dm5 n SER 141 Cb 0.22 -0.12 0.02 0.00 -0.26 0.00 0.00 64.21 64.07 1dm5 n SER 141 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1dm5 n GLU 142 N -2.15 1.05 -4.25 4.33 -0.58 -0.57 -5.02 120.64 113.45 1dm5 n GLU 142 Ca 0.04 -0.75 -0.14 0.00 -0.42 0.00 0.00 57.16 55.89 1dm5 n GLU 142 Cb 0.44 -1.07 -0.10 0.00 -0.57 0.00 0.00 31.44 30.13 1dm5 n GLU 142 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1dm5 s THR 143 N -0.84 0.41 0.32 2.62 -4.23 -0.44 -4.95 115.64 108.54 1dm5 s THR 143 Ca 0.07 -1.98 -0.08 0.00 -1.18 0.00 0.00 61.69 58.52 1dm5 s THR 143 Cb 0.06 -2.42 0.01 0.00 1.34 0.00 0.00 72.50 71.49 1dm5 s THR 143 CO 0.13 -0.17 0.54 -0.94 -0.54 0.00 0.00 174.62 173.64 1dm5 s SER 144 N -3.22 0.44 0.89 3.99 1.04 -1.26 -4.72 113.70 110.87 1dm5 s SER 144 Ca 0.33 -1.25 0.00 0.00 0.48 0.00 0.00 55.95 55.51 1dm5 s SER 144 Cb 0.07 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.87 1dm5 s SER 144 CO 0.10 -1.33 0.00 0.61 0.98 0.00 0.00 173.24 173.60 1dm5 n GLY 145 N -0.50 2.68 0.24 7.32 0.00 -1.26 -2.08 105.19 111.58 1dm5 n GLY 145 Ca -0.02 -0.43 -0.04 0.00 0.00 0.00 0.00 46.02 45.53 1dm5 n GLY 145 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1dm5 h ASN 146 N 9.87 0.53 -0.22 1.61 2.35 -2.00 -2.46 115.58 125.25 1dm5 h ASN 146 Ca 0.00 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.54 1dm5 h ASN 146 Cb 0.00 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 1dm5 h ASN 146 CO 0.00 0.79 0.05 0.15 -1.65 0.00 0.00 177.43 176.78 1dm5 h PHE 147 N 0.45 0.37 -0.49 1.19 3.57 -1.93 -1.61 116.94 118.50 1dm5 h PHE 147 Ca 0.06 -0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.58 1dm5 h PHE 147 Cb 0.72 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.30 1dm5 h PHE 147 CO 0.03 0.46 0.18 0.37 -2.23 0.00 0.00 178.31 177.11 1dm5 h GLN 148 N 0.18 0.34 -0.51 1.11 4.15 -1.28 -1.92 115.11 117.17 1dm5 h GLN 148 Ca 0.07 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.44 1dm5 h GLN 148 Cb 0.27 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.86 1dm5 h GLN 148 CO 0.00 0.23 0.19 0.00 -1.93 0.00 0.00 178.83 177.32 1dm5 h ARG 149 N 0.36 0.75 -0.51 1.69 3.08 -1.14 0.56 114.38 119.16 1dm5 h ARG 149 Ca 0.23 -0.12 -0.06 0.00 0.07 0.00 0.00 59.98 60.10 1dm5 h ARG 149 Cb 0.24 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1dm5 h ARG 149 CO -0.23 0.63 0.07 1.25 -1.07 0.00 0.00 179.97 180.62 1dm5 h LEU 150 N 0.74 0.82 -0.90 3.04 5.85 -0.86 0.07 115.31 124.08 1dm5 h LEU 150 Ca 0.18 -0.27 -0.11 0.00 0.84 0.00 0.00 57.88 58.52 1dm5 h LEU 150 Cb 0.18 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1dm5 h LEU 150 CO -0.01 0.89 -0.40 -0.07 -0.34 0.00 0.00 178.44 178.50 1dm5 h LEU 151 N 0.73 0.32 -0.49 2.25 3.38 -0.91 -1.38 115.31 119.22 1dm5 h LEU 151 Ca 0.15 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 1dm5 h LEU 151 Cb 0.42 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1dm5 h LEU 151 CO 0.01 0.69 -0.08 0.58 0.09 0.00 0.00 178.44 179.73 1dm5 h VAL 152 N 0.26 1.27 -0.31 1.22 2.07 -0.49 -0.44 116.25 119.82 1dm5 h VAL 152 Ca 0.02 -1.21 0.06 0.00 0.82 0.00 0.00 66.70 66.39 1dm5 h VAL 152 Cb 0.82 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 1dm5 h VAL 152 CO 0.07 0.42 -0.01 0.28 0.02 0.00 0.00 177.57 178.35 1dm5 h SER 153 N 0.77 -0.14 -0.58 0.57 0.02 -0.72 -0.60 113.55 112.87 1dm5 h SER 153 Ca 0.13 0.07 0.09 0.00 -0.84 0.00 0.00 61.79 61.24 1dm5 h SER 153 Cb 0.63 0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.27 1dm5 h SER 153 CO 0.04 -0.04 0.39 0.24 -1.14 0.00 0.00 176.83 176.33 1dm5 h MET 154 N 0.08 0.42 0.00 3.45 2.07 -1.04 -2.36 114.93 117.54 1dm5 h MET 154 Ca 0.15 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.76 1dm5 h MET 154 Cb 0.21 -0.09 0.00 0.00 -1.87 0.00 0.00 31.60 29.84 1dm5 h MET 154 CO -0.26 0.28 0.00 1.28 1.07 0.00 0.00 176.91 179.27 1dm5 n LEU 155 N -4.47 0.10 0.17 1.22 4.77 -0.19 -3.23 117.00 115.37 1dm5 n LEU 155 Ca 0.09 0.51 0.06 0.00 -0.03 0.00 0.00 56.01 56.64 1dm5 n LEU 155 Cb 0.34 -0.49 0.20 0.00 -2.33 0.00 0.00 43.42 41.14 1dm5 n LEU 155 CO 0.34 -0.09 0.62 1.56 -1.33 0.00 0.00 177.39 178.48 1dm5 h GLN 156 N 0.00 0.00 -5.94 3.23 1.08 -1.18 -3.47 115.11 108.83 1dm5 h GLN 156 Ca 0.00 0.00 -0.44 0.00 -1.45 0.00 0.00 58.65 56.76 1dm5 h GLN 156 Cb 0.46 0.00 0.04 0.00 -0.05 0.00 0.00 27.48 27.93 1dm5 h GLN 156 CO 0.00 0.37 -0.71 0.41 -0.95 0.00 0.00 178.83 177.96 1dm5 n GLY 157 N 0.78 -0.52 1.43 3.46 0.00 -1.20 -4.88 105.19 104.26 1dm5 n GLY 157 Ca 0.01 0.21 0.10 0.00 0.00 0.00 0.00 46.02 46.34 1dm5 n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dm5 n GLY 158 N -1.78 2.75 3.77 -0.02 0.00 -1.26 -4.82 105.19 103.83 1dm5 n GLY 158 Ca 0.02 -0.81 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 1dm5 n GLY 158 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1dm5 s ARG 159 N -1.61 4.24 -1.15 1.61 3.52 -1.26 -4.82 118.95 119.48 1dm5 s ARG 159 Ca 0.48 2.26 -0.20 0.00 -0.13 0.00 0.00 55.73 58.15 1dm5 s ARG 159 Cb 0.30 -2.99 0.07 0.00 -1.56 0.00 0.00 34.95 30.77 1dm5 s ARG 159 CO 0.26 -0.30 1.55 0.21 -0.81 0.00 0.00 175.30 176.21 1dm5 s LYS 160 N -1.93 3.81 0.00 5.12 2.20 0.12 -4.77 119.74 124.29 1dm5 s LYS 160 Ca 0.51 -1.67 0.19 0.00 -0.36 0.00 0.00 55.97 54.64 1dm5 s LYS 160 Cb -0.40 -5.38 0.91 0.00 -1.51 0.00 0.00 37.83 31.44 1dm5 s LYS 160 CO 0.54 -2.17 1.62 0.39 -0.36 0.00 0.00 175.35 175.37 1dm5 n GLU 161 N 8.25 0.14 -0.11 4.03 1.02 -1.26 -2.24 120.64 130.47 1dm5 n GLU 161 Ca 0.40 0.13 0.09 0.00 -0.02 0.00 0.00 57.16 57.76 1dm5 n GLU 161 Cb 0.48 -1.50 0.14 0.00 -0.02 0.00 0.00 31.44 30.54 1dm5 n GLU 161 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1dm5 n ASP 162 N -1.39 2.84 -4.66 1.62 5.75 -1.26 -4.93 116.55 114.53 1dm5 n ASP 162 Ca 0.07 -1.83 -0.42 0.00 -0.01 0.00 0.00 54.79 52.59 1dm5 n ASP 162 Cb 0.19 -0.14 -0.03 0.00 -1.03 0.00 0.00 41.12 40.11 1dm5 n ASP 162 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1dm5 s GLU 163 N -1.27 4.19 0.46 0.11 2.12 -0.95 -4.97 118.70 118.39 1dm5 s GLU 163 Ca 0.27 2.10 -0.16 0.00 0.36 0.00 0.00 54.97 57.53 1dm5 s GLU 163 Cb 0.16 -3.95 -0.08 0.00 0.26 0.00 0.00 34.13 30.52 1dm5 s GLU 163 CO 0.23 -0.82 0.91 -1.25 -0.54 0.00 0.00 175.26 173.79 1dm5 s PRO 164 N 3.94 3.96 -0.05 4.30 0.04 -1.26 -4.56 135.00 141.36 1dm5 s PRO 164 Ca 0.70 0.85 -0.36 0.00 0.04 0.00 0.00 61.00 62.22 1dm5 s PRO 164 Cb -0.31 -2.23 -0.14 0.00 0.04 0.00 0.00 34.50 31.86 1dm5 s PRO 164 CO 0.27 -0.14 1.66 0.28 0.04 0.00 0.00 177.00 179.11 1dm5 n VAL 165 N -1.25 0.26 -3.57 -0.36 0.31 -1.26 -4.79 118.33 107.66 1dm5 n VAL 165 Ca 0.05 -0.05 -0.22 0.00 -0.01 0.00 0.00 64.34 64.12 1dm5 n VAL 165 Cb 0.54 -1.38 -0.15 0.00 -0.91 0.00 0.00 33.84 31.93 1dm5 n VAL 165 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1dm5 s ASN 166 N 2.49 1.77 0.13 4.52 3.84 -1.26 -5.05 114.94 121.38 1dm5 s ASN 166 Ca 0.90 -0.34 -0.17 0.00 0.21 0.00 0.00 52.86 53.46 1dm5 s ASN 166 Cb -0.86 0.04 -0.02 0.00 -0.55 0.00 0.00 41.25 39.87 1dm5 s ASN 166 CO 0.52 -0.33 1.71 0.00 -2.79 0.00 0.00 177.10 176.21 1dm5 h ALA 167 N 8.38 0.46 -0.38 1.71 0.00 -1.96 -0.22 119.26 127.24 1dm5 h ALA 167 Ca -0.15 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.68 1dm5 h ALA 167 Cb 1.15 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1dm5 h ALA 167 CO 0.27 0.02 0.18 0.00 0.00 0.00 0.00 179.25 179.71 1dm5 h ALA 168 N 1.02 0.46 -0.09 0.00 0.00 -1.99 0.30 119.26 118.96 1dm5 h ALA 168 Ca 0.12 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 1dm5 h ALA 168 Cb 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1dm5 h ALA 168 CO -0.02 -0.18 -0.54 0.45 0.00 0.00 0.00 179.25 178.96 1dm5 h HIS 169 N 0.38 0.32 -0.53 0.00 3.86 -1.97 -2.49 115.15 114.70 1dm5 h HIS 169 Ca 0.16 -0.11 -0.05 0.00 -1.16 0.00 0.00 60.37 59.21 1dm5 h HIS 169 Cb 0.08 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 1dm5 h HIS 169 CO -0.10 0.74 0.11 0.00 0.86 0.00 0.00 177.93 179.54 1dm5 h ALA 170 N 1.24 1.19 -0.29 2.45 0.00 -0.49 -1.21 119.26 122.16 1dm5 h ALA 170 Ca 0.00 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 1dm5 h ALA 170 Cb 1.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1dm5 h ALA 170 CO 0.08 0.55 -0.35 0.00 0.00 0.00 0.00 179.25 179.54 1dm5 h ALA 171 N 1.33 0.86 -0.47 0.00 0.00 -0.69 0.16 119.26 120.45 1dm5 h ALA 171 Ca 0.17 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1dm5 h ALA 171 Cb 0.32 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1dm5 h ALA 171 CO 0.00 0.64 0.10 0.93 0.00 0.00 0.00 179.25 180.91 1dm5 h GLU 172 N 0.53 0.76 -0.43 0.00 5.08 -1.13 0.59 114.58 119.98 1dm5 h GLU 172 Ca 0.06 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.16 1dm5 h GLU 172 Cb 0.85 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 1dm5 h GLU 172 CO 0.07 0.76 0.01 -0.44 -1.00 0.00 0.00 179.01 178.41 1dm5 h ASP 173 N 0.64 0.74 -0.99 1.42 3.45 -0.92 -1.05 116.42 119.70 1dm5 h ASP 173 Ca 0.15 -0.30 0.09 0.00 0.43 0.00 0.00 57.03 57.40 1dm5 h ASP 173 Cb 0.35 -0.20 -0.07 0.00 -0.56 0.00 0.00 39.33 38.85 1dm5 h ASP 173 CO 0.00 0.85 0.63 0.00 -1.57 0.00 0.00 179.24 179.16 1dm5 h ALA 174 N 0.91 1.49 -0.28 3.45 0.00 -0.82 -1.51 119.26 122.49 1dm5 h ALA 174 Ca 0.12 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 1dm5 h ALA 174 Cb 0.47 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1dm5 h ALA 174 CO 0.02 0.32 -0.53 0.00 0.00 0.00 0.00 179.25 179.06 1dm5 h ALA 175 N 1.51 0.44 -0.38 0.00 0.00 -0.19 -1.76 119.26 118.88 1dm5 h ALA 175 Ca 0.46 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1dm5 h ALA 175 Cb 0.33 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1dm5 h ALA 175 CO -0.21 0.64 -0.21 0.00 0.00 0.00 0.00 179.25 179.48 1dm5 h ALA 176 N 0.67 0.93 -0.44 0.00 0.00 -0.72 -1.08 119.26 118.62 1dm5 h ALA 176 Ca 0.01 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 1dm5 h ALA 176 Cb 1.14 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1dm5 h ALA 176 CO 0.12 0.62 -0.07 0.82 0.00 0.00 0.00 179.25 180.73 1dm5 h ILE 177 N 0.64 1.27 0.19 0.00 2.04 -1.26 0.08 117.51 120.47 1dm5 h ILE 177 Ca 0.09 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 64.79 1dm5 h ILE 177 Cb 0.70 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 1dm5 h ILE 177 CO 0.05 0.40 -0.18 0.22 0.00 0.00 0.00 178.15 178.64 1dm5 h TYR 178 N 0.66 -0.48 -0.05 1.37 3.20 -1.07 -1.46 116.97 119.14 1dm5 h TYR 178 Ca 0.12 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.00 1dm5 h TYR 178 Cb 0.60 0.18 -0.00 0.00 1.54 0.00 0.00 36.73 39.05 1dm5 h TYR 178 CO 0.05 -0.27 0.07 1.96 -1.64 0.00 0.00 178.16 178.32 1dm5 h GLN 179 N -0.40 0.00 0.00 1.82 1.08 -1.10 0.50 115.11 117.01 1dm5 h GLN 179 Ca 0.00 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.05 1dm5 h GLN 179 Cb 0.37 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.78 1dm5 h GLN 179 CO -0.04 0.00 -0.70 0.00 -0.95 0.00 0.00 178.83 177.13 1dm5 h ALA 180 N 1.91 0.83 -3.00 3.87 0.00 0.05 -3.37 119.26 119.55 1dm5 h ALA 180 Ca 0.02 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1dm5 h ALA 180 Cb 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1dm5 h ALA 180 CO -0.00 0.88 0.00 0.41 0.00 0.00 0.00 179.25 180.54 1dm5 n GLY 181 N 0.52 0.41 0.36 0.00 0.00 -0.54 -0.87 105.19 105.07 1dm5 n GLY 181 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 1dm5 n GLY 181 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1dm5 h GLU 182 N 0.00 0.79 0.00 1.61 5.08 -1.56 -2.19 114.58 118.31 1dm5 h GLU 182 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1dm5 h GLU 182 Cb 0.00 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.07 1dm5 h GLU 182 CO 0.00 0.53 0.00 0.41 -1.00 0.00 0.00 179.01 178.95 1dm5 n GLY 183 N -1.33 -0.78 3.33 -3.84 0.00 0.16 -4.78 105.19 97.95 1dm5 n GLY 183 Ca 0.22 0.07 -0.11 0.00 0.00 0.00 0.00 46.02 46.20 1dm5 n GLY 183 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1dm5 s GLN 184 N -3.21 1.29 -0.05 1.61 -2.07 -0.83 -4.94 119.66 111.46 1dm5 s GLN 184 Ca 0.01 -1.47 -0.21 0.00 -1.82 0.00 0.00 55.36 51.86 1dm5 s GLN 184 Cb 0.04 0.34 -0.16 0.00 -1.09 0.00 0.00 33.01 32.14 1dm5 s GLN 184 CO 0.15 -0.46 0.89 0.82 -1.32 0.00 0.00 175.29 175.36 1dm5 h ILE 185 N 2.51 0.89 -1.91 3.63 1.08 -1.86 -3.46 117.51 118.39 1dm5 h ILE 185 Ca -0.33 -1.15 0.00 0.00 -0.39 0.00 0.00 64.86 62.99 1dm5 h ILE 185 Cb 1.25 1.50 0.00 0.00 -3.07 0.00 0.00 36.82 36.49 1dm5 h ILE 185 CO 0.48 0.23 0.00 0.61 -0.69 0.00 0.00 178.15 178.78 1dm5 n GLY 186 N 0.60 -0.55 3.24 5.37 0.00 -1.26 -5.08 105.19 107.51 1dm5 n GLY 186 Ca -0.08 -1.72 -0.17 0.00 0.00 0.00 0.00 46.02 44.05 1dm5 n GLY 186 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dm5 s THR 187 N -0.32 1.27 -0.69 2.61 2.01 -1.26 -4.72 115.64 114.54 1dm5 s THR 187 Ca 0.00 -1.78 0.05 0.00 0.31 0.00 0.00 61.69 60.26 1dm5 s THR 187 Cb 0.00 -1.58 0.26 0.00 0.01 0.00 0.00 72.50 71.19 1dm5 s THR 187 CO 0.00 -0.49 0.83 -0.67 -0.69 0.00 0.00 174.62 173.60 1dm5 n ASP 188 N 0.38 4.08 -0.21 3.53 4.64 -0.05 -4.95 116.55 123.97 1dm5 n ASP 188 Ca -0.14 -3.44 0.27 0.00 -1.38 0.00 0.00 54.79 50.09 1dm5 n ASP 188 Cb 0.58 -0.74 0.67 0.00 -1.04 0.00 0.00 41.12 40.58 1dm5 n ASP 188 CO 0.00 0.00 0.00 -0.33 -0.82 0.00 0.00 177.20 176.05 1dm5 h GLU 189 N 4.34 0.11 0.00 -0.67 3.07 -1.97 -0.07 114.58 119.38 1dm5 h GLU 189 Ca 0.20 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 59.02 1dm5 h GLU 189 Cb 0.66 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.54 1dm5 h GLU 189 CO 0.90 0.07 -0.16 0.66 -1.40 0.00 0.00 179.01 179.08 1dm5 h SER 190 N 0.11 0.00 0.38 1.42 4.64 -1.97 -1.73 113.55 116.40 1dm5 h SER 190 Ca 0.45 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.61 1dm5 h SER 190 Cb 1.62 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.70 1dm5 h SER 190 CO -0.06 0.16 -0.68 -0.09 -0.87 0.00 0.00 176.83 175.29 1dm5 h ARG 191 N 0.00 0.27 -0.41 4.77 9.65 -1.40 0.29 114.38 127.54 1dm5 h ARG 191 Ca -0.00 -0.21 -0.04 0.00 -1.10 0.00 0.00 59.98 58.63 1dm5 h ARG 191 Cb 0.46 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.06 1dm5 h ARG 191 CO 0.02 0.85 0.10 0.74 2.80 0.00 0.00 179.97 184.48 1dm5 h PHE 192 N 0.19 0.69 -0.22 2.20 0.04 -1.44 -2.46 116.94 115.94 1dm5 h PHE 192 Ca -0.02 -0.08 0.01 0.00 2.80 0.00 0.00 57.97 60.68 1dm5 h PHE 192 Cb 1.22 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 39.16 1dm5 h PHE 192 CO 0.03 0.66 0.11 -0.97 -0.60 0.00 0.00 178.31 177.54 1dm5 h ASN 193 N 0.52 0.17 0.68 2.17 -1.24 -1.04 -2.18 115.58 114.66 1dm5 h ASN 193 Ca 0.13 0.01 -0.03 0.00 0.71 0.00 0.00 56.30 57.11 1dm5 h ASN 193 Cb 0.32 -0.02 0.01 0.00 0.73 0.00 0.00 38.32 39.35 1dm5 h ASN 193 CO 0.00 0.13 -0.33 0.00 -1.29 0.00 0.00 177.43 175.95 1dm5 h ALA 194 N 1.11 -0.91 -0.32 1.57 0.00 -0.76 -1.38 119.26 118.57 1dm5 h ALA 194 Ca 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1dm5 h ALA 194 Cb 0.02 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1dm5 h ALA 194 CO -0.06 -0.99 0.15 0.28 0.00 0.00 0.00 179.25 178.64 1dm5 h VAL 195 N -0.96 1.15 0.00 0.00 2.07 -1.51 -2.44 116.25 114.57 1dm5 h VAL 195 Ca -0.09 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1dm5 h VAL 195 Cb 0.71 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1dm5 h VAL 195 CO 0.15 0.16 0.00 -0.07 0.02 0.00 0.00 177.57 177.83 1dm5 h LEU 196 N 0.38 0.00 0.00 2.57 3.38 -1.30 -2.79 115.31 117.55 1dm5 h LEU 196 Ca 0.11 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.75 1dm5 h LEU 196 Cb 0.11 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 1dm5 h LEU 196 CO -0.01 0.00 -2.04 0.00 0.09 0.00 0.00 178.44 176.48 1dm5 n ALA 197 N -1.89 1.50 -0.04 1.53 0.00 -0.53 -4.68 120.51 116.41 1dm5 n ALA 197 Ca 0.01 -1.04 -0.01 0.00 0.00 0.00 0.00 53.44 52.40 1dm5 n ALA 197 Cb 0.23 -0.53 -0.09 0.00 0.00 0.00 0.00 19.45 19.07 1dm5 n ALA 197 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1dm5 n THR 198 N -2.90 0.46 -2.16 0.00 -2.24 -1.04 -4.26 114.28 102.15 1dm5 n THR 198 Ca -0.25 -0.39 -0.36 0.00 -2.27 0.00 0.00 64.05 60.79 1dm5 n THR 198 Cb 1.10 -0.36 0.01 0.00 -2.10 0.00 0.00 70.33 68.98 1dm5 n THR 198 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1dm5 s ARG 199 N -2.47 3.39 0.72 -0.78 3.00 -1.06 0.13 118.95 121.88 1dm5 s ARG 199 Ca -0.05 1.78 -0.12 0.00 0.00 0.00 0.00 55.73 57.34 1dm5 s ARG 199 Cb 0.05 -2.16 0.03 0.00 0.00 0.00 0.00 34.95 32.87 1dm5 s ARG 199 CO 0.46 -0.86 1.09 -1.54 0.00 0.00 0.00 175.30 174.45 1dm5 s SER 200 N -1.50 4.90 0.13 0.23 1.04 -1.15 -4.60 113.70 112.74 1dm5 s SER 200 Ca 0.70 1.83 -0.19 0.00 0.48 0.00 0.00 55.95 58.77 1dm5 s SER 200 Cb -0.29 -2.52 -0.02 0.00 0.10 0.00 0.00 66.02 63.29 1dm5 s SER 200 CO 0.33 -1.77 1.73 1.88 0.98 0.00 0.00 173.24 176.40 1dm5 h TYR 201 N -0.65 0.05 -0.56 5.02 -1.99 -1.91 0.41 116.97 117.33 1dm5 h TYR 201 Ca -0.45 0.01 0.03 0.00 2.00 0.00 0.00 58.73 60.33 1dm5 h TYR 201 Cb 1.23 0.01 -0.04 0.00 2.00 0.00 0.00 36.73 39.93 1dm5 h TYR 201 CO 0.58 0.01 0.33 -1.35 -0.00 0.00 0.00 178.16 177.72 1dm5 h PRO 202 N 0.12 0.62 -0.22 4.88 0.11 -1.92 0.11 132.00 135.70 1dm5 h PRO 202 Ca 0.10 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.11 1dm5 h PRO 202 Cb 0.10 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 1dm5 h PRO 202 CO -0.14 0.41 -0.13 0.37 -0.21 0.00 0.00 178.00 178.30 1dm5 h GLN 203 N 0.64 0.36 -0.50 1.05 5.75 -1.64 -2.40 115.11 118.37 1dm5 h GLN 203 Ca 0.23 -0.09 -0.10 0.00 -0.15 0.00 0.00 58.65 58.54 1dm5 h GLN 203 Cb 0.07 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.56 1dm5 h GLN 203 CO -0.12 0.49 -0.09 -0.07 -2.65 0.00 0.00 178.83 176.39 1dm5 h LEU 204 N 0.33 0.93 -0.90 -2.39 3.38 0.88 -0.27 115.31 117.28 1dm5 h LEU 204 Ca 0.06 -0.35 0.12 0.00 0.09 0.00 0.00 57.88 57.81 1dm5 h LEU 204 Cb 0.43 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 40.85 1dm5 h LEU 204 CO 0.03 1.06 0.53 -0.74 0.09 0.00 0.00 178.44 179.40 1dm5 h HIS 205 N 0.79 0.95 -0.21 1.13 2.76 -0.34 0.15 115.15 120.38 1dm5 h HIS 205 Ca 0.13 0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.22 1dm5 h HIS 205 Cb 0.64 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.30 1dm5 h HIS 205 CO 0.05 0.34 -0.37 0.37 -1.30 0.00 0.00 177.93 177.02 1dm5 h GLN 206 N 0.82 0.45 -0.40 5.26 5.75 -1.05 -2.23 115.11 123.70 1dm5 h GLN 206 Ca 0.46 -0.21 -0.12 0.00 -0.15 0.00 0.00 58.65 58.63 1dm5 h GLN 206 Cb 0.50 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.03 1dm5 h GLN 206 CO -0.29 0.76 -0.24 0.82 -2.65 0.00 0.00 178.83 177.23 1dm5 h ILE 207 N 0.38 1.27 -0.40 2.39 2.04 0.30 -1.01 117.51 122.48 1dm5 h ILE 207 Ca 0.04 -1.37 -0.09 0.00 1.00 0.00 0.00 64.86 64.44 1dm5 h ILE 207 Cb 0.82 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 1dm5 h ILE 207 CO 0.07 0.46 -0.11 -0.26 0.00 0.00 0.00 178.15 178.31 1dm5 h PHE 208 N 0.71 0.88 -0.90 1.37 0.05 -0.85 -0.23 116.94 117.96 1dm5 h PHE 208 Ca 0.09 -0.19 0.10 0.00 3.82 0.00 0.00 57.97 61.79 1dm5 h PHE 208 Cb 0.77 -0.21 -0.08 0.00 2.00 0.00 0.00 35.95 38.43 1dm5 h PHE 208 CO 0.04 0.91 0.55 1.25 -0.18 0.00 0.00 178.31 180.88 1dm5 h HIS 209 N 0.59 1.00 -0.14 -0.55 2.76 -1.29 -1.31 115.15 116.20 1dm5 h HIS 209 Ca 0.10 0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.18 1dm5 h HIS 209 Cb 0.63 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 29.27 1dm5 h HIS 209 CO 0.05 0.43 -0.42 0.93 -1.30 0.00 0.00 177.93 177.62 1dm5 h GLU 210 N 0.91 0.33 -0.17 5.26 4.39 -0.68 -3.22 114.58 121.39 1dm5 h GLU 210 Ca 0.43 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.95 1dm5 h GLU 210 Cb 0.36 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1dm5 h GLU 210 CO -0.24 0.70 0.05 -0.92 -1.16 0.00 0.00 179.01 177.44 1dm5 h TYR 211 N 0.27 0.28 0.00 4.33 3.20 0.13 -2.56 116.97 122.63 1dm5 h TYR 211 Ca 0.02 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1dm5 h TYR 211 Cb 0.86 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.04 1dm5 h TYR 211 CO 0.02 0.38 0.00 0.66 -1.64 0.00 0.00 178.16 177.58 1dm5 h SER 212 N 0.10 0.00 0.17 -2.11 4.64 -1.51 -1.17 113.55 113.68 1dm5 h SER 212 Ca 0.06 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.15 1dm5 h SER 212 Cb 0.23 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.35 1dm5 h SER 212 CO -0.00 0.00 -1.00 0.50 -0.87 0.00 0.00 176.83 175.46 1dm5 h LYS 213 N 0.00 0.36 -0.01 4.77 3.64 -1.50 -3.36 116.57 120.46 1dm5 h LYS 213 Ca 0.00 -0.62 0.00 0.00 -1.27 0.00 0.00 60.65 58.76 1dm5 h LYS 213 Cb 0.06 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1dm5 h LYS 213 CO 0.00 1.29 -0.30 0.44 -2.27 0.00 0.00 179.45 178.62 1dm5 n ILE 214 N -4.02 0.00 -4.32 2.00 -5.35 -0.55 -4.92 119.36 102.20 1dm5 n ILE 214 Ca -0.15 -0.17 -0.17 0.00 -0.27 0.00 0.00 62.75 61.99 1dm5 n ILE 214 Cb 0.90 0.61 -0.10 0.00 -1.74 0.00 0.00 39.64 39.31 1dm5 n ILE 214 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1dm5 s SER 215 N -2.47 2.19 0.00 7.28 0.15 -0.57 -5.01 113.70 115.26 1dm5 s SER 215 Ca 0.23 -1.08 0.26 0.00 0.70 0.00 0.00 55.95 56.06 1dm5 s SER 215 Cb 0.19 -0.07 0.62 0.00 -1.71 0.00 0.00 66.02 65.05 1dm5 s SER 215 CO 0.52 -0.32 1.49 0.59 1.20 0.00 0.00 173.24 176.72 1dm5 n ASN 216 N -0.36 0.52 -4.85 5.45 4.13 -1.26 -4.69 115.26 114.20 1dm5 n ASN 216 Ca -0.08 -0.28 -0.27 0.00 1.68 0.00 0.00 54.58 55.64 1dm5 n ASN 216 Cb 0.62 0.16 -0.05 0.00 -1.54 0.00 0.00 39.78 38.97 1dm5 n ASN 216 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1dm5 s LYS 217 N -2.92 3.09 0.55 3.52 1.02 -1.26 -5.12 119.74 118.63 1dm5 s LYS 217 Ca 0.13 -0.76 -0.09 0.00 0.02 0.00 0.00 55.97 55.28 1dm5 s LYS 217 Cb 0.18 -2.77 -0.04 0.00 -0.52 0.00 0.00 37.83 34.68 1dm5 s LYS 217 CO 0.66 0.50 0.92 0.95 -0.92 0.00 0.00 175.35 177.47 1dm5 s THR 218 N -1.72 4.78 0.50 2.17 -4.23 -1.26 -4.40 115.64 111.48 1dm5 s THR 218 Ca 0.32 0.63 0.15 0.00 -1.18 0.00 0.00 61.69 61.61 1dm5 s THR 218 Cb -0.11 -3.85 0.26 0.00 1.34 0.00 0.00 72.50 70.14 1dm5 s THR 218 CO 0.25 -0.99 2.13 -0.29 -0.54 0.00 0.00 174.62 175.18 1dm5 h ILE 219 N 0.01 1.02 -0.02 2.99 6.09 -1.92 0.15 117.51 125.83 1dm5 h ILE 219 Ca -0.45 -0.08 -0.00 0.00 -1.37 0.00 0.00 64.86 62.95 1dm5 h ILE 219 Cb 1.20 0.99 -0.00 0.00 0.47 0.00 0.00 36.82 39.48 1dm5 h ILE 219 CO 0.62 0.03 0.01 -0.07 -3.07 0.00 0.00 178.15 175.67 1dm5 h LEU 220 N 0.05 0.02 -0.86 2.19 -0.00 -1.99 -2.13 115.31 112.59 1dm5 h LEU 220 Ca 0.01 -0.09 -0.09 0.00 -0.00 0.00 0.00 57.88 57.71 1dm5 h LEU 220 Cb 0.03 -0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 40.67 1dm5 h LEU 220 CO -0.00 0.11 -0.11 1.56 -0.00 0.00 0.00 178.44 180.00 1dm5 h GLN 221 N -0.07 0.73 -0.16 1.13 4.20 -1.68 -0.73 115.11 118.53 1dm5 h GLN 221 Ca 0.01 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.47 1dm5 h GLN 221 Cb 0.09 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1dm5 h GLN 221 CO -0.00 0.82 0.05 0.00 -0.67 0.00 0.00 178.83 179.02 1dm5 h ALA 222 N 1.21 0.21 -0.27 3.87 0.00 -0.87 -0.78 119.26 122.63 1dm5 h ALA 222 Ca 0.11 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1dm5 h ALA 222 Cb 0.57 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1dm5 h ALA 222 CO 0.04 -0.17 0.14 0.82 0.00 0.00 0.00 179.25 180.07 1dm5 h ILE 223 N 0.08 1.00 -0.99 0.00 2.04 -1.25 0.54 117.51 118.92 1dm5 h ILE 223 Ca 0.05 -0.10 0.21 0.00 1.00 0.00 0.00 64.86 66.02 1dm5 h ILE 223 Cb 0.22 0.68 -0.10 0.00 -0.74 0.00 0.00 36.82 36.89 1dm5 h ILE 223 CO -0.00 0.05 0.62 -0.33 0.00 0.00 0.00 178.15 178.49 1dm5 h GLU 224 N 0.29 0.60 0.17 2.37 4.39 -1.01 -1.62 114.58 119.77 1dm5 h GLU 224 Ca 0.11 -0.04 -0.31 0.00 0.34 0.00 0.00 59.36 59.46 1dm5 h GLU 224 Cb 0.03 -0.14 0.01 0.00 -0.10 0.00 0.00 28.75 28.56 1dm5 h GLU 224 CO -0.07 0.40 -1.47 -0.97 -1.16 0.00 0.00 179.01 175.74 1dm5 h ASN 225 N 0.62 0.56 0.86 1.42 -1.24 0.45 -3.36 115.58 114.89 1dm5 h ASN 225 Ca 0.57 -0.68 -0.23 0.00 0.71 0.00 0.00 56.30 56.67 1dm5 h ASN 225 Cb 1.08 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.93 1dm5 h ASN 225 CO -0.34 1.55 -1.05 -0.08 -1.29 0.00 0.00 177.43 176.22 1dm5 h GLU 226 N 0.10 0.09 -5.16 6.67 4.57 0.52 -3.48 114.58 117.89 1dm5 h GLU 226 Ca -0.23 -0.14 -0.46 0.00 -1.18 0.00 0.00 59.36 57.35 1dm5 h GLU 226 Cb 2.06 0.05 -0.14 0.00 -0.16 0.00 0.00 28.75 30.57 1dm5 h GLU 226 CO 0.21 1.05 -0.60 -0.06 -1.18 0.00 0.00 179.01 178.43 1dm5 s PHE 227 N -2.75 1.88 0.11 0.92 0.08 -0.66 -5.06 117.98 112.51 1dm5 s PHE 227 Ca -0.01 -1.02 -0.02 0.00 0.12 0.00 0.00 56.93 56.01 1dm5 s PHE 227 Cb 0.09 -1.21 -0.04 0.00 -0.57 0.00 0.00 43.02 41.29 1dm5 s PHE 227 CO 0.84 -0.07 0.05 -1.54 -0.10 0.00 0.00 175.22 174.40 1dm5 s SER 228 N -3.46 0.33 0.89 1.36 1.04 -1.26 -4.76 113.70 107.83 1dm5 s SER 228 Ca 0.36 -1.14 0.00 0.00 0.48 0.00 0.00 55.95 55.65 1dm5 s SER 228 Cb 0.08 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1dm5 s SER 228 CO 0.15 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.27 1dm5 n GLY 229 N -0.05 2.20 0.22 7.32 0.00 -1.26 -3.30 105.19 110.32 1dm5 n GLY 229 Ca -0.08 -0.50 -0.15 0.00 0.00 0.00 0.00 46.02 45.30 1dm5 n GLY 229 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1dm5 h ASP 230 N 7.53 -0.42 0.05 1.61 3.45 -1.99 -1.84 116.42 124.81 1dm5 h ASP 230 Ca 0.00 -0.03 -0.02 0.00 0.43 0.00 0.00 57.03 57.41 1dm5 h ASP 230 Cb 0.00 0.11 -0.00 0.00 -0.56 0.00 0.00 39.33 38.87 1dm5 h ASP 230 CO 0.00 -0.24 -0.07 -0.29 -1.57 0.00 0.00 179.24 177.07 1dm5 h ILE 231 N -0.57 1.07 -0.19 0.35 6.09 -1.94 0.09 117.51 122.41 1dm5 h ILE 231 Ca -0.05 -0.30 -0.07 0.00 -1.37 0.00 0.00 64.86 63.07 1dm5 h ILE 231 Cb 0.42 1.12 -0.00 0.00 0.47 0.00 0.00 36.82 38.83 1dm5 h ILE 231 CO 0.08 0.09 -0.15 0.50 -3.07 0.00 0.00 178.15 175.60 1dm5 h LYS 232 N 0.04 0.44 -0.13 2.19 3.64 -1.51 -2.43 116.57 118.81 1dm5 h LYS 232 Ca 0.01 -0.22 -0.05 0.00 -1.27 0.00 0.00 60.65 59.12 1dm5 h LYS 232 Cb 0.14 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1dm5 h LYS 232 CO 0.01 0.77 -0.14 -0.91 -2.27 0.00 0.00 179.45 176.91 1dm5 h ASN 233 N 0.11 0.20 -0.03 4.20 -0.26 -0.63 -1.29 115.58 117.88 1dm5 h ASN 233 Ca 0.04 -0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 55.72 1dm5 h ASN 233 Cb 0.67 -0.05 -0.00 0.00 -1.06 0.00 0.00 38.32 37.88 1dm5 h ASN 233 CO 0.04 0.37 -0.03 1.23 -1.06 0.00 0.00 177.43 177.98 1dm5 h GLY 234 N 0.74 0.07 1.50 2.83 0.00 -0.93 0.59 103.07 107.87 1dm5 h GLY 234 Ca 0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.26 1dm5 h GLY 234 CO 0.02 0.07 0.10 1.41 0.00 0.00 0.00 176.54 178.14 1dm5 h LEU 235 N -0.41 0.58 -0.30 3.11 3.38 -1.33 -1.65 115.31 118.70 1dm5 h LEU 235 Ca 0.00 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1dm5 h LEU 235 Cb 0.53 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1dm5 h LEU 235 CO 0.01 0.58 0.14 -0.07 0.09 0.00 0.00 178.44 179.19 1dm5 h LEU 236 N 0.62 0.41 -0.76 1.67 3.38 -1.13 -2.47 115.31 117.02 1dm5 h LEU 236 Ca 0.14 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1dm5 h LEU 236 Cb 0.24 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 1dm5 h LEU 236 CO -0.00 0.43 0.47 0.00 0.09 0.00 0.00 178.44 179.43 1dm5 h ALA 237 N 0.99 1.02 -0.36 1.53 0.00 -0.31 -0.11 119.26 122.02 1dm5 h ALA 237 Ca 0.10 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1dm5 h ALA 237 Cb 0.14 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1dm5 h ALA 237 CO -0.01 0.22 0.09 0.82 0.00 0.00 0.00 179.25 180.37 1dm5 h ILE 238 N 0.88 1.22 -0.69 0.00 2.04 -1.10 0.23 117.51 120.10 1dm5 h ILE 238 Ca 0.32 -0.74 0.03 0.00 1.00 0.00 0.00 64.86 65.47 1dm5 h ILE 238 Cb 0.10 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 1dm5 h ILE 238 CO -0.14 0.25 0.43 0.58 0.00 0.00 0.00 178.15 179.27 1dm5 h VAL 239 N 0.43 1.08 -0.38 1.67 2.07 -1.00 -1.09 116.25 119.03 1dm5 h VAL 239 Ca 0.11 -0.28 -0.10 0.00 0.82 0.00 0.00 66.70 67.25 1dm5 h VAL 239 Cb 0.29 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1dm5 h VAL 239 CO 0.00 0.15 -0.18 0.11 0.02 0.00 0.00 177.57 177.67 1dm5 h LYS 240 N 0.83 0.71 0.00 1.57 1.57 -0.63 -1.73 116.57 118.89 1dm5 h LYS 240 Ca 0.28 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1dm5 h LYS 240 Cb 0.04 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1dm5 h LYS 240 CO -0.12 0.85 -0.26 0.77 -0.57 0.00 0.00 179.45 180.12 1dm5 h SER 241 N 0.63 0.00 0.34 0.86 0.02 0.09 -1.24 113.55 114.24 1dm5 h SER 241 Ca 0.10 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1dm5 h SER 241 Cb 0.66 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.21 1dm5 h SER 241 CO 0.05 0.26 -0.16 0.58 -1.14 0.00 0.00 176.83 176.42 1dm5 h VAL 242 N 0.00 0.00 -0.17 2.27 2.07 -0.68 -3.13 116.25 116.61 1dm5 h VAL 242 Ca -0.00 -0.59 0.05 0.00 0.82 0.00 0.00 66.70 66.98 1dm5 h VAL 242 Cb 0.46 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.18 1dm5 h VAL 242 CO 0.03 0.00 -0.18 -0.33 0.02 0.00 0.00 177.57 177.12 1dm5 h GLU 243 N -1.04 -0.20 -1.22 1.57 4.39 -1.34 -3.40 114.58 113.34 1dm5 h GLU 243 Ca -0.05 0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.55 1dm5 h GLU 243 Cb 0.35 0.05 -0.22 0.00 -0.10 0.00 0.00 28.75 28.82 1dm5 h GLU 243 CO 0.08 -0.13 -0.49 1.21 -1.16 0.00 0.00 179.01 178.51 1dm5 s ASN 244 N -5.05 -0.92 0.32 1.42 3.84 -0.47 -5.00 114.94 109.08 1dm5 s ASN 244 Ca -0.14 -0.80 0.07 0.00 0.21 0.00 0.00 52.86 52.19 1dm5 s ASN 244 Cb 0.11 1.65 0.74 0.00 -0.55 0.00 0.00 41.25 43.21 1dm5 s ASN 244 CO 0.68 -0.21 1.81 -0.09 -2.79 0.00 0.00 177.10 176.49 1dm5 h ARG 245 N 7.19 0.75 -0.56 0.43 2.43 -1.61 0.50 114.38 123.51 1dm5 h ARG 245 Ca 0.04 -0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.21 1dm5 h ARG 245 Cb 1.15 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 30.49 1dm5 h ARG 245 CO 0.13 0.50 0.30 0.74 -1.51 0.00 0.00 179.97 180.13 1dm5 h PHE 246 N 0.77 0.56 -0.43 2.20 0.04 -1.90 -1.83 116.94 116.35 1dm5 h PHE 246 Ca 0.54 0.02 -0.11 0.00 2.80 0.00 0.00 57.97 61.22 1dm5 h PHE 246 Cb 0.82 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.79 1dm5 h PHE 246 CO -0.00 0.28 -0.16 0.00 -0.60 0.00 0.00 178.31 177.82 1dm5 h ALA 247 N 1.29 0.91 0.26 2.45 0.00 -1.28 -2.05 119.26 120.84 1dm5 h ALA 247 Ca 0.24 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1dm5 h ALA 247 Cb 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1dm5 h ALA 247 CO -0.15 0.63 -0.25 -0.92 0.00 0.00 0.00 179.25 178.55 1dm5 h TYR 248 N 0.72 -0.65 -0.45 0.00 5.03 -0.61 0.22 116.97 121.22 1dm5 h TYR 248 Ca 0.11 0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.35 1dm5 h TYR 248 Cb 0.67 0.25 -0.02 0.00 1.55 0.00 0.00 36.73 39.18 1dm5 h TYR 248 CO 0.04 -0.36 -0.03 0.74 -1.32 0.00 0.00 178.16 177.23 1dm5 h PHE 249 N -0.54 0.81 0.17 -3.82 0.04 -1.33 -1.42 116.94 110.85 1dm5 h PHE 249 Ca -0.01 -0.12 0.02 0.00 2.80 0.00 0.00 57.97 60.66 1dm5 h PHE 249 Cb 0.49 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 38.38 1dm5 h PHE 249 CO -0.16 0.77 -0.41 0.00 -0.60 0.00 0.00 178.31 177.91 1dm5 h ALA 250 N 1.27 -0.75 -0.65 2.45 0.00 -0.83 0.45 119.26 121.20 1dm5 h ALA 250 Ca 0.13 -0.08 0.14 0.00 0.00 0.00 0.00 54.91 55.10 1dm5 h ALA 250 Cb 0.47 0.66 -0.11 0.00 0.00 0.00 0.00 17.79 18.82 1dm5 h ALA 250 CO 0.02 -0.98 0.05 1.49 0.00 0.00 0.00 179.25 179.83 1dm5 h GLU 251 N -0.67 0.16 -0.24 0.00 4.81 -0.91 0.13 114.58 117.86 1dm5 h GLU 251 Ca 0.01 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1dm5 h GLU 251 Cb 0.68 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 1dm5 h GLU 251 CO -0.21 0.10 0.13 0.00 -0.73 0.00 0.00 179.01 178.31 1dm5 h ARG 252 N 0.16 0.33 -0.19 1.92 2.47 -0.05 0.02 114.38 119.04 1dm5 h ARG 252 Ca 0.35 -0.04 0.06 0.00 -1.26 0.00 0.00 59.98 59.08 1dm5 h ARG 252 Cb 0.57 -0.07 -0.07 0.00 -1.65 0.00 0.00 29.97 28.76 1dm5 h ARG 252 CO -0.52 0.30 -0.30 -0.07 0.56 0.00 0.00 179.97 179.94 1dm5 h LEU 253 N 0.28 -0.93 0.30 3.04 3.38 0.11 0.18 115.31 121.66 1dm5 h LEU 253 Ca 0.08 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1dm5 h LEU 253 Cb 0.06 0.41 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1dm5 h LEU 253 CO -0.01 -0.33 -0.46 -0.74 0.09 0.00 0.00 178.44 176.99 1dm5 h HIS 254 N -0.33 -1.27 -0.75 1.13 2.76 -0.52 -1.78 115.15 114.38 1dm5 h HIS 254 Ca 0.12 0.02 0.14 0.00 -2.20 0.00 0.00 60.37 58.44 1dm5 h HIS 254 Cb 0.52 0.52 -0.09 0.00 1.55 0.00 0.00 27.41 29.90 1dm5 h HIS 254 CO -0.42 -0.58 0.31 1.25 -1.30 0.00 0.00 177.93 177.19 1dm5 h HIS 255 N -0.81 0.54 -0.65 5.26 -0.00 -0.67 0.62 115.15 119.43 1dm5 h HIS 255 Ca -0.02 0.04 0.07 0.00 -0.00 0.00 0.00 60.37 60.46 1dm5 h HIS 255 Cb 0.76 -0.12 -0.04 0.00 -0.00 0.00 0.00 27.41 28.01 1dm5 h HIS 255 CO -0.31 0.09 0.43 0.00 -0.00 0.00 0.00 177.93 178.14 1dm5 h ALA 256 N 1.53 1.82 -0.02 5.26 0.00 -0.09 -0.61 119.26 127.16 1dm5 h ALA 256 Ca 0.41 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1dm5 h ALA 256 Cb 0.59 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1dm5 h ALA 256 CO -0.38 0.06 -0.32 -1.33 0.00 0.00 0.00 179.25 177.28 1dm5 n MET 257 N -4.48 1.40 -0.62 0.00 2.81 0.09 0.24 117.12 116.56 1dm5 n MET 257 Ca 0.10 -1.10 -0.31 0.00 -1.81 0.00 0.00 57.70 54.58 1dm5 n MET 257 Cb 0.27 -1.48 0.19 0.00 -0.71 0.00 0.00 33.22 31.49 1dm5 n MET 257 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1dm5 n LYS 258 N 0.16 -1.90 0.00 0.03 3.00 0.19 -4.81 118.16 114.85 1dm5 n LYS 258 Ca 0.11 -0.54 0.00 0.00 -0.00 0.00 0.00 58.31 57.88 1dm5 n LYS 258 Cb 0.47 -1.74 0.00 0.00 0.00 0.00 0.00 35.03 33.76 1dm5 n LYS 258 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1dm5 n GLY 259 N 1.96 0.25 3.12 3.14 0.00 -1.26 -3.83 105.19 108.57 1dm5 n GLY 259 Ca 0.01 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 1dm5 n GLY 259 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dm5 n LEU 260 N 0.00 6.08 0.00 0.99 4.77 -1.26 -4.77 117.00 122.81 1dm5 n LEU 260 Ca 0.00 -4.74 0.00 0.00 -0.03 0.00 0.00 56.01 51.24 1dm5 n LEU 260 Cb 0.00 -1.48 0.00 0.00 -2.33 0.00 0.00 43.42 39.61 1dm5 n LEU 260 CO 0.00 1.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.91 1dm5 n GLY 261 N 2.89 2.69 3.61 -0.72 0.00 -1.25 -5.13 105.19 107.28 1dm5 n GLY 261 Ca 0.35 0.21 -0.40 0.00 0.00 0.00 0.00 46.02 46.17 1dm5 n GLY 261 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dm5 s THR 262 N 0.00 5.04 -0.88 2.61 2.01 -1.26 -4.56 115.64 118.60 1dm5 s THR 262 Ca 0.00 0.80 -0.25 0.00 0.31 0.00 0.00 61.69 62.55 1dm5 s THR 262 Cb 0.00 -3.88 -0.08 0.00 0.01 0.00 0.00 72.50 68.55 1dm5 s THR 262 CO 0.00 0.00 2.08 -0.55 -0.69 0.00 0.00 174.62 175.46 1dm5 s SER 263 N 1.59 4.75 0.35 3.53 0.15 0.14 -4.70 113.70 119.51 1dm5 s SER 263 Ca 0.22 -0.51 0.08 0.00 0.70 0.00 0.00 55.95 56.44 1dm5 s SER 263 Cb -0.15 -2.56 0.64 0.00 -1.71 0.00 0.00 66.02 62.23 1dm5 s SER 263 CO 0.10 -3.12 1.82 0.44 1.20 0.00 0.00 173.24 173.68 1dm5 h ASP 264 N 11.63 0.22 -0.03 5.45 3.32 -1.93 -1.75 116.42 133.33 1dm5 h ASP 264 Ca 0.07 -0.07 -0.16 0.00 0.02 0.00 0.00 57.03 56.90 1dm5 h ASP 264 Cb 1.00 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 1dm5 h ASP 264 CO 1.15 0.49 -0.52 0.11 -1.72 0.00 0.00 179.24 178.75 1dm5 h LYS 265 N 0.21 0.61 -0.38 3.56 1.79 -1.98 0.54 116.57 120.91 1dm5 h LYS 265 Ca 0.03 -0.37 -0.01 0.00 -2.18 0.00 0.00 60.65 58.12 1dm5 h LYS 265 Cb 0.58 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.25 1dm5 h LYS 265 CO 0.04 0.98 0.21 1.15 -1.08 0.00 0.00 179.45 180.75 1dm5 h THR 266 N 0.47 1.15 0.22 -0.16 2.02 -1.86 0.78 112.91 115.53 1dm5 h THR 266 Ca 0.02 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 1dm5 h THR 266 Cb 1.07 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1dm5 h THR 266 CO 0.10 0.16 -0.10 0.25 0.37 0.00 0.00 175.52 176.29 1dm5 h LEU 267 N 0.48 -0.25 -0.76 2.58 5.85 -1.17 -1.74 115.31 120.31 1dm5 h LEU 267 Ca 0.13 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.86 1dm5 h LEU 267 Cb 0.06 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1dm5 h LEU 267 CO -0.02 -0.15 0.49 0.40 -0.34 0.00 0.00 178.44 178.82 1dm5 h ILE 268 N -0.32 1.16 -0.43 4.05 2.04 0.28 -1.59 117.51 122.71 1dm5 h ILE 268 Ca -0.03 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 1dm5 h ILE 268 Cb 0.24 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.39 1dm5 h ILE 268 CO 0.05 0.18 0.21 -0.09 0.00 0.00 0.00 178.15 178.50 1dm5 h ARG 269 N 0.99 0.61 0.09 2.37 2.43 0.78 -0.55 114.38 121.09 1dm5 h ARG 269 Ca 0.29 -0.08 -0.25 0.00 -0.81 0.00 0.00 59.98 59.12 1dm5 h ARG 269 Cb -0.07 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.37 1dm5 h ARG 269 CO -0.08 0.52 -1.15 0.82 -1.51 0.00 0.00 179.97 178.57 1dm5 h ILE 270 N 0.55 1.53 -0.53 1.20 2.04 -1.22 -1.63 117.51 119.45 1dm5 h ILE 270 Ca 0.15 -3.05 -0.10 0.00 1.00 0.00 0.00 64.86 62.86 1dm5 h ILE 270 Cb 0.10 2.85 -0.02 0.00 -0.74 0.00 0.00 36.82 39.01 1dm5 h ILE 270 CO -0.02 0.89 -0.05 -0.07 0.00 0.00 0.00 178.15 178.89 1dm5 h LEU 271 N 0.07 0.94 -0.02 1.44 3.38 -1.27 -2.79 115.31 117.05 1dm5 h LEU 271 Ca -0.10 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.50 1dm5 h LEU 271 Cb 1.87 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 42.37 1dm5 h LEU 271 CO 0.18 1.02 -0.34 0.58 0.09 0.00 0.00 178.44 179.98 1dm5 h VAL 272 N 0.87 1.48 0.00 1.22 2.07 -1.11 -2.88 116.25 117.90 1dm5 h VAL 272 Ca 0.15 -1.90 0.00 0.00 0.82 0.00 0.00 66.70 65.77 1dm5 h VAL 272 Cb 0.58 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 1dm5 h VAL 272 CO 0.04 0.53 0.00 0.77 0.02 0.00 0.00 177.57 178.93 1dm5 h SER 273 N -0.32 0.00 0.00 0.57 4.64 -1.35 -3.06 113.55 114.03 1dm5 h SER 273 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1dm5 h SER 273 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1dm5 h SER 273 CO 0.07 0.00 -1.10 0.54 -0.87 0.00 0.00 176.83 175.47 1dm5 n ARG 274 N -2.50 1.34 -0.43 4.77 5.12 -1.05 -4.62 116.66 119.29 1dm5 n ARG 274 Ca 0.04 -0.05 0.35 0.00 -1.93 0.00 0.00 57.85 56.26 1dm5 n ARG 274 Cb 0.39 -1.29 0.65 0.00 -1.16 0.00 0.00 32.46 31.05 1dm5 n ARG 274 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1dm5 h SER 275 N 0.00 0.24 -0.26 0.55 4.64 -1.40 0.41 113.55 117.73 1dm5 h SER 275 Ca 0.00 0.10 -0.19 0.00 -0.47 0.00 0.00 61.79 61.23 1dm5 h SER 275 Cb 0.50 0.08 -0.15 0.00 -0.31 0.00 0.00 62.40 62.52 1dm5 h SER 275 CO 0.00 -0.09 -0.61 -0.62 -0.87 0.00 0.00 176.83 174.64 1dm5 n GLU 276 N -4.55 2.28 0.00 4.77 1.02 -1.26 0.01 120.64 122.90 1dm5 n GLU 276 Ca 0.34 -3.60 0.00 0.00 -0.02 0.00 0.00 57.16 53.88 1dm5 n GLU 276 Cb 1.35 -1.84 0.00 0.00 -0.02 0.00 0.00 31.44 30.93 1dm5 n GLU 276 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1dm5 n ILE 277 N -0.98 0.00 -2.17 -3.67 5.41 0.14 -4.43 119.36 113.66 1dm5 n ILE 277 Ca 0.27 0.00 0.04 0.00 1.00 0.00 0.00 62.75 64.06 1dm5 n ILE 277 Cb 0.79 -0.31 0.06 0.00 -0.71 0.00 0.00 39.64 39.46 1dm5 n ILE 277 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1dm5 n ASP 278 N -2.43 1.00 0.23 4.38 5.75 -0.97 -2.54 116.55 121.98 1dm5 n ASP 278 Ca 0.00 -2.39 0.07 0.00 -0.01 0.00 0.00 54.79 52.47 1dm5 n ASP 278 Cb 0.00 -0.33 0.57 0.00 -1.03 0.00 0.00 41.12 40.33 1dm5 n ASP 278 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1dm5 h LEU 279 N 0.75 0.00 0.42 -2.12 5.85 -1.40 -1.21 115.31 117.61 1dm5 h LEU 279 Ca -0.13 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 1dm5 h LEU 279 Cb 1.60 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.63 1dm5 h LEU 279 CO 0.06 0.17 -0.20 0.00 -0.34 0.00 0.00 178.44 178.13 1dm5 h ALA 280 N 1.83 -0.57 -0.05 1.25 0.00 -1.57 -1.78 119.26 118.37 1dm5 h ALA 280 Ca -0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1dm5 h ALA 280 Cb 0.33 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1dm5 h ALA 280 CO 0.02 -0.78 -0.13 -0.91 0.00 0.00 0.00 179.25 177.44 1dm5 h ASN 281 N -0.64 0.06 -0.31 0.00 4.21 -1.59 -2.46 115.58 114.84 1dm5 h ASN 281 Ca -0.06 -0.01 -0.15 0.00 1.21 0.00 0.00 56.30 57.29 1dm5 h ASN 281 Cb 0.48 -0.02 -0.00 0.00 -1.12 0.00 0.00 38.32 37.66 1dm5 h ASN 281 CO 0.10 0.21 -0.41 0.40 -1.29 0.00 0.00 177.43 176.44 1dm5 h ILE 282 N 0.07 1.29 -0.56 2.81 2.04 -1.00 -2.03 117.51 120.11 1dm5 h ILE 282 Ca 0.01 -1.59 -0.03 0.00 1.00 0.00 0.00 64.86 64.25 1dm5 h ILE 282 Cb 0.28 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 1dm5 h ILE 282 CO 0.02 0.52 0.21 0.11 0.00 0.00 0.00 178.15 179.01 1dm5 h LYS 283 N 0.60 0.82 0.28 2.37 1.57 -1.11 0.32 116.57 121.42 1dm5 h LYS 283 Ca 0.04 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1dm5 h LYS 283 Cb 1.00 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1dm5 h LYS 283 CO 0.10 0.68 -0.13 0.93 -0.57 0.00 0.00 179.45 180.45 1dm5 h GLU 284 N 0.80 -0.36 -0.61 3.15 5.08 -1.24 -1.54 114.58 119.86 1dm5 h GLU 284 Ca 0.19 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1dm5 h GLU 284 Cb 0.17 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1dm5 h GLU 284 CO -0.02 -0.19 0.33 1.15 -1.00 0.00 0.00 179.01 179.29 1dm5 h THR 285 N -0.45 1.19 -0.32 1.13 2.02 -1.23 -2.36 112.91 112.87 1dm5 h THR 285 Ca -0.04 -0.47 0.03 0.00 0.77 0.00 0.00 66.41 66.70 1dm5 h THR 285 Cb 0.34 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 1dm5 h THR 285 CO 0.06 0.21 0.12 0.15 0.37 0.00 0.00 175.52 176.43 1dm5 h PHE 286 N 0.85 0.22 -0.01 3.16 3.04 0.06 -1.77 116.94 122.49 1dm5 h PHE 286 Ca 0.22 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.19 1dm5 h PHE 286 Cb 0.03 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.47 1dm5 h PHE 286 CO 0.01 0.10 -0.05 0.37 -2.02 0.00 0.00 178.31 176.71 1dm5 h GLN 287 N 0.27 -0.08 -0.81 1.11 5.75 -0.80 -2.48 115.11 118.07 1dm5 h GLN 287 Ca 0.14 0.01 0.14 0.00 -0.15 0.00 0.00 58.65 58.79 1dm5 h GLN 287 Cb 0.10 0.02 -0.09 0.00 1.07 0.00 0.00 27.48 28.58 1dm5 h GLN 287 CO -0.14 -0.06 0.39 0.00 -2.65 0.00 0.00 178.83 176.38 1dm5 h ALA 288 N 0.92 1.18 0.00 3.38 0.00 -1.14 0.80 119.26 124.39 1dm5 h ALA 288 Ca 0.03 0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 1dm5 h ALA 288 Cb 0.12 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1dm5 h ALA 288 CO -0.06 -0.11 -0.71 0.52 0.00 0.00 0.00 179.25 178.89 1dm5 h MET 289 N 0.57 0.00 0.00 0.00 2.86 -1.03 -3.39 114.93 113.95 1dm5 h MET 289 Ca 0.43 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.07 1dm5 h MET 289 Cb 0.60 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.26 1dm5 h MET 289 CO -0.36 0.60 0.00 0.66 1.06 0.00 0.00 176.91 178.87 1dm5 n TYR 290 N -3.22 0.00 0.00 -0.22 4.01 -0.96 -5.01 117.16 111.76 1dm5 n TYR 290 Ca 0.00 -0.15 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 1dm5 n TYR 290 Cb 0.80 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.81 1dm5 n TYR 290 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1dm5 n GLY 291 N -0.15 1.63 3.68 2.72 0.00 0.25 -4.95 105.19 108.36 1dm5 n GLY 291 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1dm5 n GLY 291 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1dm5 s LYS 292 N 0.00 2.50 0.62 1.61 2.20 -1.26 -5.00 119.74 120.41 1dm5 s LYS 292 Ca 0.00 -0.93 -0.15 0.00 -0.36 0.00 0.00 55.97 54.53 1dm5 s LYS 292 Cb 0.00 -2.48 -0.02 0.00 -1.51 0.00 0.00 37.83 33.82 1dm5 s LYS 292 CO 0.00 0.51 1.07 -1.54 -0.36 0.00 0.00 175.35 175.03 1dm5 s SER 293 N -2.54 5.53 0.23 1.43 1.04 -1.26 -3.83 113.70 114.30 1dm5 s SER 293 Ca 0.26 1.86 -0.07 0.00 0.48 0.00 0.00 55.95 58.48 1dm5 s SER 293 Cb -0.11 -2.54 0.29 0.00 0.10 0.00 0.00 66.02 63.76 1dm5 s SER 293 CO 0.18 -1.34 1.85 0.25 0.98 0.00 0.00 173.24 175.17 1dm5 h LEU 294 N 0.21 0.81 -0.50 2.42 5.85 -1.90 -2.50 115.31 119.70 1dm5 h LEU 294 Ca -0.47 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.36 1dm5 h LEU 294 Cb 1.23 -0.16 -0.10 0.00 0.37 0.00 0.00 40.66 41.99 1dm5 h LEU 294 CO 0.56 0.54 -0.27 0.22 -0.34 0.00 0.00 178.44 179.15 1dm5 h TYR 295 N 0.95 -0.73 -0.46 1.25 3.20 -1.84 0.26 116.97 119.60 1dm5 h TYR 295 Ca 0.35 0.06 -0.10 0.00 3.14 0.00 0.00 58.73 62.18 1dm5 h TYR 295 Cb 0.11 0.40 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 1dm5 h TYR 295 CO -0.03 -0.35 -0.09 0.93 -1.64 0.00 0.00 178.16 176.97 1dm5 h GLU 296 N -0.16 0.83 -0.12 1.82 5.08 -1.85 -0.40 114.58 119.78 1dm5 h GLU 296 Ca 0.22 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1dm5 h GLU 296 Cb 0.51 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1dm5 h GLU 296 CO -0.59 0.90 0.07 0.74 -1.00 0.00 0.00 179.01 179.13 1dm5 h PHE 297 N 0.75 0.16 0.10 4.33 0.04 -0.94 -0.05 116.94 121.35 1dm5 h PHE 297 Ca 0.13 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.90 1dm5 h PHE 297 Cb 0.59 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.68 1dm5 h PHE 297 CO 0.03 0.15 -0.10 0.82 -0.60 0.00 0.00 178.31 178.61 1dm5 h ILE 298 N 0.13 0.78 -0.12 -0.55 2.04 -0.62 -0.06 117.51 119.10 1dm5 h ILE 298 Ca 0.04 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 1dm5 h ILE 298 Cb 0.03 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1dm5 h ILE 298 CO -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 178.15 178.13 1dm5 h ALA 299 N 0.66 1.75 0.00 1.87 0.00 -0.99 0.11 119.26 122.65 1dm5 h ALA 299 Ca 0.00 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 1dm5 h ALA 299 Cb 0.21 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1dm5 h ALA 299 CO -0.02 0.19 -0.82 -0.44 0.00 0.00 0.00 179.25 178.15 1dm5 h ASP 300 N 0.18 0.00 0.54 0.00 5.19 -0.73 -3.35 116.42 118.24 1dm5 h ASP 300 Ca 0.04 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 1dm5 h ASP 300 Cb 0.15 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.66 1dm5 h ASP 300 CO 0.00 0.72 -1.13 -0.67 -3.12 0.00 0.00 179.24 175.05 1dm5 n ASP 301 N -3.24 0.59 -4.42 6.45 2.03 -0.06 -4.99 116.55 112.92 1dm5 n ASP 301 Ca -0.01 -0.02 -0.21 0.00 0.52 0.00 0.00 54.79 55.08 1dm5 n ASP 301 Cb 0.84 0.83 -0.10 0.00 -0.72 0.00 0.00 41.12 41.97 1dm5 n ASP 301 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1dm5 s SER 303 N -3.44 1.43 0.64 0.00 1.04 -1.26 -4.73 113.70 107.38 1dm5 s SER 303 Ca 0.31 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.56 1dm5 s SER 303 Cb 0.06 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.26 1dm5 s SER 303 CO 0.13 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.42 1dm5 n GLY 304 N -0.29 1.64 0.31 7.32 0.00 -1.26 -1.11 105.19 111.79 1dm5 n GLY 304 Ca -0.06 -0.47 0.05 0.00 0.00 0.00 0.00 46.02 45.54 1dm5 n GLY 304 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1dm5 h ASP 305 N 6.07 0.62 -0.47 1.61 3.45 -1.99 0.72 116.42 126.44 1dm5 h ASP 305 Ca 0.00 0.07 0.09 0.00 0.43 0.00 0.00 57.03 57.61 1dm5 h ASP 305 Cb 0.00 -0.05 -0.07 0.00 -0.56 0.00 0.00 39.33 38.65 1dm5 h ASP 305 CO 0.00 0.32 0.03 0.22 -1.57 0.00 0.00 179.24 178.24 1dm5 h TYR 306 N 0.73 0.03 -0.28 4.55 3.20 -1.88 -0.30 116.97 123.01 1dm5 h TYR 306 Ca 0.43 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.30 1dm5 h TYR 306 Cb 0.49 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 1dm5 h TYR 306 CO -0.07 -0.07 0.05 -0.22 -1.64 0.00 0.00 178.16 176.22 1dm5 h LYS 307 N 0.15 0.46 -0.49 1.82 3.64 0.63 -2.49 116.57 120.29 1dm5 h LYS 307 Ca 0.23 -0.12 0.08 0.00 -1.27 0.00 0.00 60.65 59.58 1dm5 h LYS 307 Cb 0.33 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.03 1dm5 h LYS 307 CO -0.36 0.56 0.10 0.22 -2.27 0.00 0.00 179.45 177.71 1dm5 h ASP 308 N 0.29 0.01 -0.11 4.20 -0.00 -0.52 -1.25 116.42 119.05 1dm5 h ASP 308 Ca 0.09 0.08 -0.01 0.00 -0.00 0.00 0.00 57.03 57.19 1dm5 h ASP 308 Cb 0.32 0.11 -0.00 0.00 -0.00 0.00 0.00 39.33 39.76 1dm5 h ASP 308 CO 0.00 0.04 0.02 0.25 -0.00 0.00 0.00 179.24 179.55 1dm5 h LEU 309 N 0.24 0.17 -0.77 2.28 5.85 -0.98 -0.75 115.31 121.36 1dm5 h LEU 309 Ca 0.24 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.74 1dm5 h LEU 309 Cb 0.32 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 1dm5 h LEU 309 CO -0.31 0.39 0.48 -0.07 -0.34 0.00 0.00 178.44 178.59 1dm5 h LEU 310 N -0.05 0.78 -0.48 2.25 4.07 -1.30 0.43 115.31 121.01 1dm5 h LEU 310 Ca 0.03 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.95 1dm5 h LEU 310 Cb 0.30 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.85 1dm5 h LEU 310 CO 0.00 0.53 0.10 -0.07 -1.08 0.00 0.00 178.44 177.92 1dm5 h LEU 311 N 0.92 0.74 -0.66 1.67 3.38 -1.06 -0.92 115.31 119.38 1dm5 h LEU 311 Ca 0.31 -0.24 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 1dm5 h LEU 311 Cb 0.06 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1dm5 h LEU 311 CO -0.13 0.79 -0.46 1.56 0.09 0.00 0.00 178.44 180.29 1dm5 h GLN 312 N 0.65 0.49 -0.02 1.13 4.20 -0.73 0.27 115.11 121.10 1dm5 h GLN 312 Ca 0.15 -0.27 -0.17 0.00 0.06 0.00 0.00 58.65 58.41 1dm5 h GLN 312 Cb 0.35 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 1dm5 h GLN 312 CO 0.00 0.85 -0.77 -0.84 -0.67 0.00 0.00 178.83 177.41 1dm5 h ILE 313 N 0.40 1.47 0.19 2.54 3.07 -0.77 -3.29 117.51 121.12 1dm5 h ILE 313 Ca 0.03 -2.42 -0.31 0.00 1.55 0.00 0.00 64.86 63.71 1dm5 h ILE 313 Cb 0.96 2.31 0.02 0.00 -0.27 0.00 0.00 36.82 39.84 1dm5 h ILE 313 CO 0.08 0.70 -1.43 0.74 -1.05 0.00 0.00 178.15 177.20 1dm5 h THR 314 N 0.11 1.32 -0.67 0.16 2.02 -0.98 -3.39 112.91 111.48 1dm5 h THR 314 Ca -0.03 -2.83 0.07 0.00 0.77 0.00 0.00 66.41 64.40 1dm5 h THR 314 Cb 1.35 2.96 -0.03 0.00 -1.74 0.00 0.00 68.15 70.69 1dm5 h THR 314 CO 0.11 0.85 -0.22 0.61 0.37 0.00 0.00 175.52 177.24 1dm5 n GLY 315 N 1.66 -2.48 0.00 2.16 0.00 0.93 -4.90 105.19 102.56 1dm5 n GLY 315 Ca -0.14 -1.39 0.06 0.00 0.00 0.00 0.00 46.02 44.54 1dm5 n GLY 315 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74