#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 4.63 0.12 1.55 -7.23 -1.26 -4.87 120.40 113.34 1dm5 s VAL 3 Ca 0.00 -0.09 -0.25 0.00 -1.81 0.00 0.00 61.98 59.83 1dm5 s VAL 3 Cb 0.00 -3.07 0.07 0.00 0.56 0.00 0.00 36.38 33.94 1dm5 s VAL 3 CO 0.00 0.47 0.76 0.00 -0.31 0.00 0.00 175.10 176.03 1dm5 s GLN 4 N 0.31 1.17 0.00 4.82 -2.07 -0.96 -4.90 119.66 118.03 1dm5 s GLN 4 Ca 0.02 -0.50 0.00 0.00 -1.82 0.00 0.00 55.36 53.06 1dm5 s GLN 4 Cb -0.13 0.49 0.00 0.00 -1.09 0.00 0.00 33.01 32.29 1dm5 s GLN 4 CO 0.01 -0.52 0.00 0.41 -1.32 0.00 0.00 175.29 173.87 1dm5 n GLY 5 N -0.35 0.60 0.00 2.60 0.00 -0.71 -2.18 105.19 105.15 1dm5 n GLY 5 Ca -0.11 -1.88 0.03 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.64 0.00 -3.72 2.61 -2.24 0.21 -4.37 114.28 106.13 1dm5 n THR 6 Ca 0.00 -0.23 -0.35 0.00 -2.27 0.00 0.00 64.05 61.20 1dm5 n THR 6 Cb 0.00 0.62 -0.08 0.00 -2.10 0.00 0.00 70.33 68.76 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 -2.09 5.37 0.28 2.28 1.01 -0.92 -5.00 120.40 121.34 1dm5 s VAL 7 Ca -0.00 0.18 0.11 0.00 0.00 0.00 0.00 61.98 62.27 1dm5 s VAL 7 Cb 0.04 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.91 1dm5 s VAL 7 CO 0.26 0.42 -0.16 -0.54 0.00 0.00 0.00 175.10 175.07 1dm5 s LYS 8 N 0.55 1.79 0.30 2.72 -0.14 -1.26 -4.77 119.74 118.92 1dm5 s LYS 8 Ca 0.08 -1.72 -0.30 0.00 -1.36 0.00 0.00 55.97 52.67 1dm5 s LYS 8 Cb -0.12 -1.83 -0.12 0.00 -1.68 0.00 0.00 37.83 34.08 1dm5 s LYS 8 CO -0.00 0.32 1.47 -2.30 -0.76 0.00 0.00 175.35 174.08 1dm5 n PRO 9 N -0.68 2.39 -2.45 -1.68 -0.02 -1.26 -4.00 135.00 127.31 1dm5 n PRO 9 Ca -0.05 0.85 -0.41 0.00 -2.02 0.00 0.00 63.50 61.87 1dm5 n PRO 9 Cb 0.60 -2.55 -0.04 0.00 -0.02 0.00 0.00 33.50 31.49 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 -0.37 3.53 0.49 6.00 2.46 -1.25 -4.92 115.29 121.22 1dm5 s HIS 10 Ca 0.62 1.63 -0.21 0.00 0.47 0.00 0.00 55.06 57.57 1dm5 s HIS 10 Cb -0.55 -3.33 -0.08 0.00 -0.13 0.00 0.00 32.58 28.49 1dm5 s HIS 10 CO 0.53 -0.72 1.07 0.00 -2.47 0.00 0.00 174.74 173.15 1dm5 s ALA 11 N -0.86 2.85 -1.24 1.58 0.00 -1.26 -3.80 121.76 119.04 1dm5 s ALA 11 Ca 0.47 0.69 -0.05 0.00 0.00 0.00 0.00 51.96 53.07 1dm5 s ALA 11 Cb -0.32 -3.29 -0.01 0.00 0.00 0.00 0.00 23.12 19.50 1dm5 s ALA 11 CO 0.40 -0.44 0.75 0.43 0.00 0.00 0.00 175.76 176.90 1dm5 n SER 12 N -0.93 -2.72 -4.73 0.00 7.64 -1.26 -4.86 113.62 106.75 1dm5 n SER 12 Ca 0.09 -0.85 -0.41 0.00 1.01 0.00 0.00 58.87 58.72 1dm5 n SER 12 Cb 0.52 -4.08 -0.04 0.00 -1.01 0.00 0.00 64.21 59.60 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 -3.59 3.52 -0.29 1.43 5.36 -1.25 -5.02 117.98 118.15 1dm5 s PHE 13 Ca 0.16 1.49 -0.02 0.00 -0.96 0.00 0.00 56.93 57.60 1dm5 s PHE 13 Cb -0.04 -3.34 0.10 0.00 -0.34 0.00 0.00 43.02 39.40 1dm5 s PHE 13 CO 0.81 -0.87 0.11 1.21 -1.46 0.00 0.00 175.22 175.01 1dm5 s ASN 14 N 0.26 3.67 0.26 6.13 3.84 -1.26 -5.01 114.94 122.83 1dm5 s ASN 14 Ca 0.52 -1.39 -0.01 0.00 0.21 0.00 0.00 52.86 52.20 1dm5 s ASN 14 Cb -0.30 -0.61 0.34 0.00 -0.55 0.00 0.00 41.25 40.13 1dm5 s ASN 14 CO 0.34 -0.41 1.71 0.77 -2.79 0.00 0.00 177.10 176.72 1dm5 h SER 15 N 8.25 0.64 -0.96 -4.21 4.64 -1.94 -1.53 113.55 118.44 1dm5 h SER 15 Ca -0.17 -0.20 0.05 0.00 -0.47 0.00 0.00 61.79 61.01 1dm5 h SER 15 Cb 1.03 -0.17 -0.06 0.00 -0.31 0.00 0.00 62.40 62.88 1dm5 h SER 15 CO 0.44 0.82 0.62 -0.09 -0.87 0.00 0.00 176.83 177.75 1dm5 h ARG 16 N 0.58 1.12 -0.21 4.77 2.43 -1.95 -1.42 114.38 119.71 1dm5 h ARG 16 Ca 0.10 -0.07 -0.13 0.00 -0.81 0.00 0.00 59.98 59.07 1dm5 h ARG 16 Cb 0.61 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1dm5 h ARG 16 CO 0.04 0.74 -0.38 1.49 -1.51 0.00 0.00 179.97 180.36 1dm5 h GLU 17 N 1.16 0.62 -0.44 0.20 4.81 -1.89 -2.32 114.58 116.73 1dm5 h GLU 17 Ca 0.40 -0.39 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1dm5 h GLU 17 Cb 0.10 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 1dm5 h GLU 17 CO -0.15 1.01 0.09 -0.44 -0.73 0.00 0.00 179.01 178.79 1dm5 h ASP 18 N 0.31 0.62 -0.39 1.04 3.32 -0.93 -0.33 116.42 120.06 1dm5 h ASP 18 Ca 0.01 -0.10 -0.08 0.00 0.02 0.00 0.00 57.03 56.88 1dm5 h ASP 18 Cb 0.98 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 1dm5 h ASP 18 CO 0.09 0.63 -0.08 0.00 -1.72 0.00 0.00 179.24 178.15 1dm5 h ALA 19 N 1.46 0.53 -0.39 3.45 0.00 -1.18 -0.98 119.26 122.15 1dm5 h ALA 19 Ca 0.14 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1dm5 h ALA 19 Cb 0.27 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1dm5 h ALA 19 CO -0.00 0.38 0.07 0.93 0.00 0.00 0.00 179.25 180.63 1dm5 h GLU 20 N 0.54 0.58 -0.45 0.00 4.39 -1.09 -0.32 114.58 118.24 1dm5 h GLU 20 Ca 0.10 -0.11 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 1dm5 h GLU 20 Cb 0.59 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 1dm5 h GLU 20 CO 0.04 0.55 0.15 1.15 -1.16 0.00 0.00 179.01 179.74 1dm5 h THR 21 N 0.57 1.22 -0.62 1.13 2.02 -0.53 -0.07 112.91 116.63 1dm5 h THR 21 Ca 0.13 -0.70 -0.09 0.00 0.77 0.00 0.00 66.41 66.52 1dm5 h THR 21 Cb 0.26 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 1dm5 h THR 21 CO 0.00 0.25 0.05 -0.07 0.37 0.00 0.00 175.52 176.12 1dm5 h LEU 22 N 0.58 1.03 -0.17 2.58 3.38 -0.79 -1.59 115.31 120.33 1dm5 h LEU 22 Ca 0.15 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.86 1dm5 h LEU 22 Cb 0.24 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1dm5 h LEU 22 CO -0.01 1.06 -0.01 -0.09 0.09 0.00 0.00 178.44 179.49 1dm5 h ARG 23 N 0.97 0.04 -0.97 1.13 9.65 -0.50 -2.42 114.38 122.28 1dm5 h ARG 23 Ca 0.18 -0.00 0.05 0.00 -1.10 0.00 0.00 59.98 59.11 1dm5 h ARG 23 Cb 0.51 -0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 29.01 1dm5 h ARG 23 CO 0.02 0.03 0.63 0.87 2.80 0.00 0.00 179.97 184.32 1dm5 h LYS 24 N 0.04 1.13 0.00 0.20 1.57 -0.76 0.25 116.57 119.01 1dm5 h LYS 24 Ca 0.08 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1dm5 h LYS 24 Cb 0.10 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.16 1dm5 h LYS 24 CO -0.14 0.75 -0.03 0.00 -0.57 0.00 0.00 179.45 179.46 1dm5 h ALA 25 N 1.46 1.05 0.00 3.86 0.00 -0.81 -3.28 119.26 121.53 1dm5 h ALA 25 Ca 0.41 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 1dm5 h ALA 25 Cb 0.11 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1dm5 h ALA 25 CO -0.15 0.04 -1.73 -1.33 0.00 0.00 0.00 179.25 176.08 1dm5 n MET 26 N -3.19 0.58 -2.52 0.00 2.81 -0.02 -1.19 117.12 113.59 1dm5 n MET 26 Ca -0.01 -0.13 -0.41 0.00 -1.81 0.00 0.00 57.70 55.34 1dm5 n MET 26 Cb 0.23 -1.36 -0.04 0.00 -0.71 0.00 0.00 33.22 31.34 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 -3.00 4.59 0.79 0.03 2.20 -0.60 -4.84 119.74 118.91 1dm5 s LYS 27 Ca -0.06 1.72 0.00 0.00 -0.36 0.00 0.00 55.97 57.27 1dm5 s LYS 27 Cb 0.09 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 33.13 1dm5 s LYS 27 CO 0.63 0.07 0.00 0.41 -0.36 0.00 0.00 175.35 176.11 1dm5 n GLY 28 N 2.05 -2.05 3.69 5.54 0.00 -1.26 -4.84 105.19 108.32 1dm5 n GLY 28 Ca 0.03 -1.55 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 1dm5 n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1dm5 n ILE 29 N -0.03 0.27 0.00 -0.61 5.41 -1.26 -4.74 119.36 118.41 1dm5 n ILE 29 Ca 0.00 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.70 1dm5 n ILE 29 Cb 0.00 -2.04 0.00 0.00 -0.71 0.00 0.00 39.64 36.89 1dm5 n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1dm5 n GLY 30 N 4.12 0.26 2.87 7.39 0.00 -1.26 -5.03 105.19 113.54 1dm5 n GLY 30 Ca 0.18 -1.81 -0.20 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.18 0.46 -1.20 2.61 2.01 -1.26 -4.67 115.64 111.42 1dm5 s THR 31 Ca 0.00 -0.07 -0.10 0.00 0.31 0.00 0.00 61.69 61.83 1dm5 s THR 31 Cb 0.00 -0.51 0.21 0.00 0.01 0.00 0.00 72.50 72.21 1dm5 s THR 31 CO 0.00 0.21 1.51 -0.67 -0.69 0.00 0.00 174.62 174.98 1dm5 n ASP 32 N 4.15 5.42 0.08 3.53 4.64 -0.33 -4.82 116.55 129.21 1dm5 n ASP 32 Ca -0.24 -3.09 0.06 0.00 -1.38 0.00 0.00 54.79 50.14 1dm5 n ASP 32 Cb 0.51 -1.47 0.50 0.00 -1.04 0.00 0.00 41.12 39.62 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 6.40 0.36 -0.67 -0.67 3.07 -1.98 -2.33 114.58 118.75 1dm5 h GLU 33 Ca 0.30 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 59.10 1dm5 h GLU 33 Cb 0.76 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.56 1dm5 h GLU 33 CO 1.33 0.24 0.27 0.87 -1.40 0.00 0.00 179.01 180.32 1dm5 h LYS 34 N 0.37 0.98 -0.12 2.33 1.57 -1.99 0.14 116.57 119.86 1dm5 h LYS 34 Ca 0.11 -0.16 -0.22 0.00 -1.87 0.00 0.00 60.65 58.51 1dm5 h LYS 34 Cb -0.01 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 32.14 1dm5 h LYS 34 CO -0.02 0.80 -0.80 1.03 -0.57 0.00 0.00 179.45 179.89 1dm5 h SER 35 N 0.97 0.82 -0.47 0.86 0.87 -1.85 -2.49 113.55 112.25 1dm5 h SER 35 Ca 0.23 -0.55 -0.01 0.00 -1.23 0.00 0.00 61.79 60.23 1dm5 h SER 35 Cb 0.18 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 1dm5 h SER 35 CO -0.02 1.34 0.26 0.40 -0.53 0.00 0.00 176.83 178.27 1dm5 h ILE 36 N 0.46 1.17 -0.51 2.23 2.04 -1.10 -1.70 117.51 120.10 1dm5 h ILE 36 Ca -0.06 -0.44 0.05 0.00 1.00 0.00 0.00 64.86 65.41 1dm5 h ILE 36 Cb 1.42 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 38.04 1dm5 h ILE 36 CO 0.16 0.18 0.26 0.74 0.00 0.00 0.00 178.15 179.48 1dm5 h THR 37 N 0.63 0.95 -0.66 -0.27 2.02 -0.72 -1.78 112.91 113.07 1dm5 h THR 37 Ca 0.17 -0.17 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 1dm5 h THR 37 Cb 0.06 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 66.85 1dm5 h THR 37 CO -0.03 0.09 0.24 -0.74 0.37 0.00 0.00 175.52 175.46 1dm5 h HIS 38 N 0.50 1.03 -0.16 3.16 -0.00 -1.18 0.82 115.15 119.32 1dm5 h HIS 38 Ca 0.22 -0.09 -0.04 0.00 -0.00 0.00 0.00 60.37 60.47 1dm5 h HIS 38 Cb 0.14 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 27.24 1dm5 h HIS 38 CO -0.10 0.82 -0.04 0.82 -0.00 0.00 0.00 177.93 179.43 1dm5 h ILE 39 N 0.95 1.29 -0.64 6.26 1.08 -0.96 -2.58 117.51 122.90 1dm5 h ILE 39 Ca 0.22 -0.99 -0.05 0.00 -0.39 0.00 0.00 64.86 63.64 1dm5 h ILE 39 Cb 0.25 1.61 -0.03 0.00 -3.07 0.00 0.00 36.82 35.58 1dm5 h ILE 39 CO -0.01 0.29 0.20 -0.07 -0.69 0.00 0.00 178.15 177.87 1dm5 h LEU 40 N 0.02 0.94 0.00 1.44 3.38 -1.17 -2.77 115.31 117.15 1dm5 h LEU 40 Ca 0.04 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1dm5 h LEU 40 Cb 0.47 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1dm5 h LEU 40 CO 0.02 0.90 -0.23 0.00 0.09 0.00 0.00 178.44 179.21 1dm5 h ALA 41 N 1.08 0.88 -0.19 1.53 0.00 -0.86 -3.34 119.26 118.36 1dm5 h ALA 41 Ca 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1dm5 h ALA 41 Cb 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1dm5 h ALA 41 CO -0.01 0.07 0.00 0.25 0.00 0.00 0.00 179.25 179.56 1dm5 n THR 42 N -3.04 0.39 -4.41 0.00 -2.24 -0.97 -4.69 114.28 99.32 1dm5 n THR 42 Ca 0.03 -0.70 -0.31 0.00 -2.27 0.00 0.00 64.05 60.80 1dm5 n THR 42 Cb 0.56 0.99 -0.10 0.00 -2.10 0.00 0.00 70.33 69.67 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 -1.12 2.36 0.77 -0.78 3.00 -1.05 -3.92 118.95 118.20 1dm5 s ARG 43 Ca 0.22 -0.85 -0.12 0.00 0.00 0.00 0.00 55.73 54.98 1dm5 s ARG 43 Cb 0.13 -2.40 0.05 0.00 0.00 0.00 0.00 34.95 32.74 1dm5 s ARG 43 CO 0.19 0.56 1.11 -1.54 0.00 0.00 0.00 175.30 175.62 1dm5 s SER 44 N -1.68 4.81 0.37 0.23 1.04 -1.26 -4.80 113.70 112.42 1dm5 s SER 44 Ca 0.18 1.17 0.08 0.00 0.48 0.00 0.00 55.95 57.86 1dm5 s SER 44 Cb -0.11 -1.90 0.80 0.00 0.10 0.00 0.00 66.02 64.91 1dm5 s SER 44 CO 0.09 -1.75 1.94 -1.13 0.98 0.00 0.00 173.24 173.37 1dm5 h ASN 45 N -0.94 0.62 0.10 7.02 -0.73 -1.94 0.17 115.58 119.89 1dm5 h ASN 45 Ca -0.46 0.01 -0.13 0.00 1.87 0.00 0.00 56.30 57.59 1dm5 h ASN 45 Cb 1.27 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 39.73 1dm5 h ASN 45 CO 0.62 0.38 -0.45 0.00 -0.37 0.00 0.00 177.43 177.61 1dm5 h ALA 46 N 1.61 0.91 -0.31 1.57 0.00 -1.96 -2.32 119.26 118.76 1dm5 h ALA 46 Ca 0.34 -0.45 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 1dm5 h ALA 46 Cb 0.41 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1dm5 h ALA 46 CO -0.12 0.64 -0.47 1.96 0.00 0.00 0.00 179.25 181.26 1dm5 h GLN 47 N 0.34 0.83 -0.29 0.00 4.20 -1.12 -2.78 115.11 116.29 1dm5 h GLN 47 Ca 0.02 -0.48 0.03 0.00 0.06 0.00 0.00 58.65 58.29 1dm5 h GLN 47 Cb 0.92 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.73 1dm5 h GLN 47 CO 0.08 1.11 0.19 0.00 -0.67 0.00 0.00 178.83 179.54 1dm5 h ARG 48 N 0.66 0.26 -0.19 1.46 3.08 -0.65 -1.14 114.38 117.86 1dm5 h ARG 48 Ca 0.04 -0.02 -0.12 0.00 0.07 0.00 0.00 59.98 59.95 1dm5 h ARG 48 Cb 1.05 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.03 1dm5 h ARG 48 CO 0.10 0.17 -0.41 1.96 -1.07 0.00 0.00 179.97 180.73 1dm5 h GLN 49 N 0.27 0.43 -0.01 0.04 1.08 -1.14 -1.09 115.11 114.70 1dm5 h GLN 49 Ca 0.12 -0.22 -0.22 0.00 -1.45 0.00 0.00 58.65 56.89 1dm5 h GLN 49 Cb 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1dm5 h GLN 49 CO -0.02 0.77 -0.91 1.96 -0.95 0.00 0.00 178.83 179.67 1dm5 h GLN 50 N 0.36 0.39 -0.84 1.46 4.20 -1.29 -2.40 115.11 116.98 1dm5 h GLN 50 Ca 0.03 -0.40 0.01 0.00 0.06 0.00 0.00 58.65 58.34 1dm5 h GLN 50 Cb 0.87 0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.73 1dm5 h GLN 50 CO 0.07 1.08 0.55 0.82 -0.67 0.00 0.00 178.83 180.67 1dm5 h ILE 51 N 0.22 1.22 -0.38 2.54 2.04 -1.05 -0.60 117.51 121.50 1dm5 h ILE 51 Ca -0.07 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 1dm5 h ILE 51 Cb 1.54 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 1dm5 h ILE 51 CO 0.16 0.22 0.20 0.11 0.00 0.00 0.00 178.15 178.83 1dm5 h LYS 52 N 1.14 0.54 -0.79 2.37 1.57 -1.10 0.60 116.57 120.89 1dm5 h LYS 52 Ca 0.31 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1dm5 h LYS 52 Cb -0.11 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.06 1dm5 h LYS 52 CO -0.06 0.46 0.49 1.15 -0.57 0.00 0.00 179.45 180.91 1dm5 h THR 53 N 0.48 1.22 -0.23 -0.16 2.02 -1.03 -1.38 112.91 113.83 1dm5 h THR 53 Ca 0.13 -0.47 -0.20 0.00 0.77 0.00 0.00 66.41 66.64 1dm5 h THR 53 Cb 0.09 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.60 1dm5 h THR 53 CO -0.02 0.23 -0.65 0.44 0.37 0.00 0.00 175.52 175.89 1dm5 h ASP 54 N 1.08 0.95 -0.00 4.18 3.45 -0.92 -1.45 116.42 123.71 1dm5 h ASP 54 Ca 0.29 -0.56 0.01 0.00 0.43 0.00 0.00 57.03 57.20 1dm5 h ASP 54 Cb -0.06 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.42 1dm5 h ASP 54 CO -0.06 1.36 -0.06 0.22 -1.57 0.00 0.00 179.24 179.13 1dm5 h TYR 55 N 0.61 -0.15 -0.79 4.55 5.03 -0.60 0.23 116.97 125.85 1dm5 h TYR 55 Ca -0.01 0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.26 1dm5 h TYR 55 Cb 1.26 0.07 -0.04 0.00 1.55 0.00 0.00 36.73 39.57 1dm5 h TYR 55 CO 0.08 -0.09 0.33 1.15 -1.32 0.00 0.00 178.16 178.30 1dm5 h THR 56 N -0.10 1.26 -0.45 1.81 2.02 -1.25 -0.71 112.91 115.49 1dm5 h THR 56 Ca 0.03 -0.81 -0.12 0.00 0.77 0.00 0.00 66.41 66.28 1dm5 h THR 56 Cb 0.14 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 1dm5 h THR 56 CO -0.07 0.33 -0.19 0.74 0.37 0.00 0.00 175.52 176.71 1dm5 h THR 57 N 1.15 1.27 -0.37 3.16 2.02 -0.86 0.92 112.91 120.19 1dm5 h THR 57 Ca 0.27 -1.31 -0.08 0.00 0.77 0.00 0.00 66.41 66.05 1dm5 h THR 57 Cb 0.20 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1dm5 h THR 57 CO -0.02 0.45 -0.10 -0.07 0.37 0.00 0.00 175.52 176.15 1dm5 h LEU 58 N 0.77 0.72 -0.06 2.58 3.38 -0.17 -3.38 115.31 119.15 1dm5 h LEU 58 Ca 0.11 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1dm5 h LEU 58 Cb 0.72 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1dm5 h LEU 58 CO 0.06 0.92 -0.17 0.49 0.09 0.00 0.00 178.44 179.83 1dm5 n PHE 59 N -4.37 0.00 -1.19 1.13 3.72 -0.31 -5.02 117.46 111.42 1dm5 n PHE 59 Ca -0.02 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.32 1dm5 n PHE 59 Cb 0.35 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.87 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 1.05 0.87 3.01 1.37 0.00 0.31 -5.01 105.19 106.79 1dm5 n GLY 60 Ca 0.01 -0.60 -0.16 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.36 0.52 0.33 1.61 1.02 -1.26 -5.08 119.74 114.52 1dm5 s LYS 61 Ca 0.00 -0.40 -0.26 0.00 0.02 0.00 0.00 55.97 55.33 1dm5 s LYS 61 Cb 0.00 -0.44 -0.10 0.00 -0.52 0.00 0.00 37.83 36.77 1dm5 s LYS 61 CO 0.00 0.11 0.96 -1.01 -0.92 0.00 0.00 175.35 174.49 1dm5 s HIS 62 N -0.54 3.65 0.26 3.18 3.76 -1.26 -3.87 115.29 120.46 1dm5 s HIS 62 Ca -0.01 1.77 -0.03 0.00 -0.15 0.00 0.00 55.06 56.64 1dm5 s HIS 62 Cb -0.05 -2.96 0.41 0.00 1.11 0.00 0.00 32.58 31.10 1dm5 s HIS 62 CO 0.00 0.10 1.85 1.25 -0.85 0.00 0.00 174.74 177.09 1dm5 h LEU 63 N 3.14 0.87 -0.62 0.89 6.46 -1.92 -2.16 115.31 121.96 1dm5 h LEU 63 Ca -0.47 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.31 1dm5 h LEU 63 Cb 1.19 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.95 1dm5 h LEU 63 CO 0.65 0.52 0.37 -0.33 -0.62 0.00 0.00 178.44 179.02 1dm5 h GLU 64 N 0.98 0.85 -0.49 1.25 3.07 -1.97 -0.94 114.58 117.33 1dm5 h GLU 64 Ca 0.42 -0.08 -0.06 0.00 -0.50 0.00 0.00 59.36 59.14 1dm5 h GLU 64 Cb 0.29 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 1dm5 h GLU 64 CO -0.21 0.62 0.05 -0.44 -1.40 0.00 0.00 179.01 177.62 1dm5 h ASP 65 N 0.84 0.73 -0.36 1.42 3.32 -1.80 -0.43 116.42 120.15 1dm5 h ASP 65 Ca 0.22 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1dm5 h ASP 65 Cb -0.00 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 1dm5 h ASP 65 CO -0.04 0.77 0.17 -0.33 -1.72 0.00 0.00 179.24 178.10 1dm5 h GLU 66 N 0.74 0.52 0.00 3.56 4.39 -0.93 -2.19 114.58 120.66 1dm5 h GLU 66 Ca 0.15 -0.08 -0.08 0.00 0.34 0.00 0.00 59.36 59.70 1dm5 h GLU 66 Cb 0.38 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1dm5 h GLU 66 CO 0.01 0.47 -0.36 -0.07 -1.16 0.00 0.00 179.01 177.90 1dm5 h LEU 67 N 0.45 0.00 -1.29 1.33 3.38 -0.91 0.90 115.31 119.17 1dm5 h LEU 67 Ca 0.12 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 1dm5 h LEU 67 Cb 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1dm5 h LEU 67 CO -0.02 0.36 -0.34 0.11 0.09 0.00 0.00 178.44 178.64 1dm5 h LYS 68 N 0.00 0.00 0.03 1.13 1.57 -0.59 -1.24 116.57 117.46 1dm5 h LYS 68 Ca -0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 1dm5 h LYS 68 Cb 0.75 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 1dm5 h LYS 68 CO 0.05 0.34 -0.66 1.03 -0.57 0.00 0.00 179.45 179.63 1dm5 h SER 69 N 0.00 0.11 1.40 0.86 0.87 -0.85 -3.41 113.55 112.53 1dm5 h SER 69 Ca -0.00 -0.83 -0.11 0.00 -1.23 0.00 0.00 61.79 59.62 1dm5 h SER 69 Cb 0.66 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.57 1dm5 h SER 69 CO 0.04 1.28 -0.61 -0.33 -0.53 0.00 0.00 176.83 176.68 1dm5 h GLU 70 N -0.83 0.00 -6.11 2.24 4.39 -0.80 -3.46 114.58 110.02 1dm5 h GLU 70 Ca -0.16 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.00 1dm5 h GLU 70 Cb 1.27 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.85 1dm5 h GLU 70 CO -0.04 0.46 -0.52 -0.51 -1.16 0.00 0.00 179.01 177.25 1dm5 s LEU 71 N -6.36 3.32 0.23 1.33 1.43 -0.48 -5.04 118.68 113.12 1dm5 s LEU 71 Ca 0.03 -0.73 -0.10 0.00 -1.03 0.00 0.00 54.13 52.30 1dm5 s LEU 71 Cb 0.08 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.47 1dm5 s LEU 71 CO 0.75 -0.32 0.39 -0.94 0.23 0.00 0.00 176.35 176.46 1dm5 s SER 72 N -3.88 -0.03 0.81 2.29 1.04 -1.26 -4.73 113.70 107.94 1dm5 s SER 72 Ca 0.38 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.76 1dm5 s SER 72 Cb -0.03 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1dm5 s SER 72 CO 0.23 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 174.00 1dm5 n GLY 73 N -0.35 1.47 0.23 7.32 0.00 -1.26 -1.52 105.19 111.08 1dm5 n GLY 73 Ca -0.01 -0.53 0.01 0.00 0.00 0.00 0.00 46.02 45.49 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 7.54 0.27 -0.23 1.61 2.35 -2.00 -1.82 115.58 123.29 1dm5 h ASN 74 Ca 0.00 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1dm5 h ASN 74 Cb 0.00 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 1dm5 h ASN 74 CO 0.00 0.49 0.14 0.22 -1.65 0.00 0.00 177.43 176.63 1dm5 h TYR 75 N 0.26 0.31 -0.56 1.19 -0.00 -1.92 0.12 116.97 116.36 1dm5 h TYR 75 Ca 0.05 -0.00 0.05 0.00 -0.00 0.00 0.00 58.73 58.83 1dm5 h TYR 75 Cb 0.51 -0.10 -0.05 0.00 -0.00 0.00 0.00 36.73 37.09 1dm5 h TYR 75 CO 0.01 0.23 0.29 1.49 -0.00 0.00 0.00 178.16 180.18 1dm5 h GLU 76 N 0.29 0.53 -0.11 1.82 4.81 -0.49 -1.14 114.58 120.30 1dm5 h GLU 76 Ca 0.08 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1dm5 h GLU 76 Cb 0.02 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1dm5 h GLU 76 CO -0.02 0.35 0.07 0.00 -0.73 0.00 0.00 179.01 178.68 1dm5 h ALA 77 N 1.31 0.14 -0.75 2.92 0.00 -0.80 -1.33 119.26 120.75 1dm5 h ALA 77 Ca 0.25 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 1dm5 h ALA 77 Cb 0.17 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1dm5 h ALA 77 CO -0.18 -0.36 0.27 0.00 0.00 0.00 0.00 179.25 178.99 1dm5 h ALA 78 N 1.02 1.06 -0.22 0.00 0.00 -0.51 0.15 119.26 120.76 1dm5 h ALA 78 Ca 0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1dm5 h ALA 78 Cb 0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1dm5 h ALA 78 CO -0.01 0.65 0.07 0.00 0.00 0.00 0.00 179.25 179.97 1dm5 h ALA 79 N 1.19 0.28 -0.71 0.00 0.00 -1.04 -2.13 119.26 116.85 1dm5 h ALA 79 Ca 0.25 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1dm5 h ALA 79 Cb 0.25 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1dm5 h ALA 79 CO -0.02 -0.10 0.47 -0.07 0.00 0.00 0.00 179.25 179.54 1dm5 h LEU 80 N 0.18 0.81 -0.87 0.00 4.07 -1.03 -2.44 115.31 116.03 1dm5 h LEU 80 Ca 0.07 -0.02 -0.05 0.00 0.08 0.00 0.00 57.88 57.96 1dm5 h LEU 80 Cb 0.22 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 41.73 1dm5 h LEU 80 CO -0.00 0.58 0.24 0.00 -1.08 0.00 0.00 178.44 178.18 1dm5 h ALA 81 N 1.56 1.09 0.00 1.53 0.00 -0.35 -2.48 119.26 120.61 1dm5 h ALA 81 Ca 0.26 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1dm5 h ALA 81 Cb -0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1dm5 h ALA 81 CO -0.06 0.63 -0.18 -0.07 0.00 0.00 0.00 179.25 179.57 1dm5 h LEU 82 N 1.04 0.00 0.00 0.00 3.38 -0.90 -2.92 115.31 115.90 1dm5 h LEU 82 Ca 0.23 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 1dm5 h LEU 82 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1dm5 h LEU 82 CO -0.01 0.18 -0.36 -0.07 0.09 0.00 0.00 178.44 178.27 1dm5 h LEU 83 N 0.00 0.00 -9.85 1.67 3.38 -1.25 -3.46 115.31 105.81 1dm5 h LEU 83 Ca -0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 1dm5 h LEU 83 Cb 0.48 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.29 1dm5 h LEU 83 CO 0.02 0.31 0.65 -0.13 0.09 0.00 0.00 178.44 179.38 1dm5 s ARG 84 N -3.06 4.35 0.61 1.13 1.81 -1.11 -4.83 118.95 117.85 1dm5 s ARG 84 Ca 0.05 2.21 -0.18 0.00 -1.72 0.00 0.00 55.73 56.09 1dm5 s ARG 84 Cb 0.07 -3.09 -0.03 0.00 -0.45 0.00 0.00 34.95 31.45 1dm5 s ARG 84 CO 0.72 -0.22 1.20 0.15 -0.68 0.00 0.00 175.30 176.47 1dm5 s LYS 85 N -1.48 2.89 0.20 3.54 1.02 -1.26 -4.71 119.74 119.95 1dm5 s LYS 85 Ca 0.51 1.80 -0.10 0.00 0.02 0.00 0.00 55.97 58.19 1dm5 s LYS 85 Cb -0.40 -1.92 0.19 0.00 -0.52 0.00 0.00 37.83 35.18 1dm5 s LYS 85 CO 0.50 -1.26 1.83 -1.35 -0.92 0.00 0.00 175.35 174.16 1dm5 h PRO 86 N 0.74 0.76 -0.32 -1.68 0.11 -1.95 0.26 132.00 129.93 1dm5 h PRO 86 Ca -0.50 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.53 1dm5 h PRO 86 Cb 1.29 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1dm5 h PRO 86 CO 0.55 0.51 0.06 -0.44 -0.21 0.00 0.00 178.00 178.47 1dm5 h ASP 87 N 0.79 0.50 -0.71 -2.05 3.32 -1.93 -2.71 116.42 113.63 1dm5 h ASP 87 Ca 0.27 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1dm5 h ASP 87 Cb 0.05 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.44 1dm5 h ASP 87 CO -0.12 0.62 0.45 -0.33 -1.72 0.00 0.00 179.24 178.13 1dm5 h GLU 88 N 0.36 0.95 -0.16 3.56 5.08 -1.75 -2.32 114.58 120.30 1dm5 h GLU 88 Ca 0.10 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1dm5 h GLU 88 Cb 0.32 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1dm5 h GLU 88 CO 0.00 0.65 0.10 0.35 -1.00 0.00 0.00 179.01 179.11 1dm5 h PHE 89 N 0.97 0.20 -0.63 4.33 3.57 -0.25 -0.11 116.94 125.02 1dm5 h PHE 89 Ca 0.26 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.71 1dm5 h PHE 89 Cb -0.07 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.58 1dm5 h PHE 89 CO 0.00 0.16 0.18 -0.07 -2.23 0.00 0.00 178.31 176.35 1dm5 h LEU 90 N 0.19 0.93 -0.12 0.59 3.38 -1.21 0.35 115.31 119.43 1dm5 h LEU 90 Ca 0.06 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1dm5 h LEU 90 Cb 0.01 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1dm5 h LEU 90 CO -0.01 0.90 0.06 0.00 0.09 0.00 0.00 178.44 179.48 1dm5 h ALA 91 N 1.06 0.15 0.00 1.53 0.00 -1.28 0.20 119.26 120.93 1dm5 h ALA 91 Ca 0.20 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1dm5 h ALA 91 Cb 0.31 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1dm5 h ALA 91 CO -0.00 -0.31 -0.19 1.49 0.00 0.00 0.00 179.25 180.24 1dm5 h GLU 92 N 0.09 0.00 -0.38 0.00 4.81 -0.87 0.69 114.58 118.92 1dm5 h GLU 92 Ca 0.04 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.19 1dm5 h GLU 92 Cb 0.08 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1dm5 h GLU 92 CO -0.01 0.19 -0.11 1.96 -0.73 0.00 0.00 179.01 180.31 1dm5 h GLN 93 N 0.00 0.66 -0.07 1.92 1.08 0.37 -1.76 115.11 117.30 1dm5 h GLN 93 Ca -0.00 -0.20 -0.02 0.00 -1.45 0.00 0.00 58.65 56.97 1dm5 h GLN 93 Cb 0.48 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.84 1dm5 h GLN 93 CO 0.02 0.75 -0.03 -0.07 -0.95 0.00 0.00 178.83 178.55 1dm5 h LEU 94 N 0.60 0.16 -0.82 1.46 3.38 0.63 -2.33 115.31 118.39 1dm5 h LEU 94 Ca 0.11 -0.41 0.15 0.00 0.09 0.00 0.00 57.88 57.81 1dm5 h LEU 94 Cb 0.54 -0.04 -0.09 0.00 0.09 0.00 0.00 40.66 41.15 1dm5 h LEU 94 CO 0.03 0.53 0.40 -0.74 0.09 0.00 0.00 178.44 178.76 1dm5 h HIS 95 N -0.22 0.70 0.00 1.13 2.76 -0.75 0.21 115.15 118.98 1dm5 h HIS 95 Ca 0.02 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.17 1dm5 h HIS 95 Cb 0.47 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.24 1dm5 h HIS 95 CO 0.07 0.15 -0.25 0.00 -1.30 0.00 0.00 177.93 176.59 1dm5 h ALA 96 N 1.56 1.09 0.00 5.26 0.00 -1.28 -0.54 119.26 125.35 1dm5 h ALA 96 Ca 0.45 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1dm5 h ALA 96 Cb 0.65 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1dm5 h ALA 96 CO -0.37 0.31 -0.26 0.00 0.00 0.00 0.00 179.25 178.93 1dm5 h ALA 97 N 1.75 0.91 0.00 0.00 0.00 -0.01 -3.31 119.26 118.60 1dm5 h ALA 97 Ca -0.00 -0.23 -0.45 0.00 0.00 0.00 0.00 54.91 54.22 1dm5 h ALA 97 Cb 0.69 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 1dm5 h ALA 97 CO 0.03 0.32 -2.53 -1.33 0.00 0.00 0.00 179.25 175.75 1dm5 n MET 98 N -3.27 0.59 -0.42 0.00 2.81 -1.01 -0.47 117.12 115.35 1dm5 n MET 98 Ca 0.01 0.24 0.11 0.00 -1.81 0.00 0.00 57.70 56.25 1dm5 n MET 98 Cb 0.53 -1.48 0.33 0.00 -0.71 0.00 0.00 33.22 31.89 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 -4.08 2.90 0.00 0.03 4.76 -0.23 -4.74 118.16 116.80 1dm5 n LYS 99 Ca -0.53 -2.65 0.00 0.00 -2.87 0.00 0.00 58.31 52.26 1dm5 n LYS 99 Cb 0.90 -1.64 0.00 0.00 -1.84 0.00 0.00 35.03 32.45 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 1.53 0.82 3.58 0.72 0.00 -1.25 -4.97 105.19 105.63 1dm5 n GLY 100 Ca 0.24 -1.48 -0.43 0.00 0.00 0.00 0.00 46.02 44.36 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 4.02 0.00 0.99 0.20 -1.26 -4.92 118.68 117.71 1dm5 s LEU 101 Ca 0.00 0.32 0.00 0.00 0.69 0.00 0.00 54.13 55.14 1dm5 s LEU 101 Cb 0.00 -3.19 0.00 0.00 -0.43 0.00 0.00 46.19 42.57 1dm5 s LEU 101 CO 0.00 -0.93 0.00 0.61 -0.29 0.00 0.00 176.35 175.74 1dm5 n GLY 102 N 4.67 -2.16 3.15 7.98 0.00 -1.26 -4.89 105.19 112.68 1dm5 n GLY 102 Ca 0.06 -1.47 -0.31 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.47 1.84 -1.15 2.61 2.01 -1.26 -4.64 115.64 114.58 1dm5 s THR 103 Ca 0.00 -0.87 -0.18 0.00 0.31 0.00 0.00 61.69 60.95 1dm5 s THR 103 Cb 0.00 -1.62 0.10 0.00 0.01 0.00 0.00 72.50 71.00 1dm5 s THR 103 CO 0.00 0.51 1.49 -0.62 -0.69 0.00 0.00 174.62 175.31 1dm5 s ASP 104 N 0.64 6.80 0.26 3.53 3.68 0.38 -4.81 116.67 127.14 1dm5 s ASP 104 Ca -0.13 -2.33 -0.01 0.00 2.13 0.00 0.00 52.55 52.22 1dm5 s ASP 104 Cb -0.16 -2.50 0.33 0.00 -1.45 0.00 0.00 42.92 39.14 1dm5 s ASP 104 CO 0.03 -1.10 1.71 0.11 0.13 0.00 0.00 175.17 176.05 1dm5 h LYS 105 N 8.14 0.66 -0.15 4.34 1.57 -1.96 -1.96 116.57 127.20 1dm5 h LYS 105 Ca 0.31 -0.23 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 1dm5 h LYS 105 Cb 0.93 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 1dm5 h LYS 105 CO 1.33 0.79 -0.16 -0.91 -0.57 0.00 0.00 179.45 179.93 1dm5 h ASN 106 N 0.59 0.23 -0.61 0.86 -0.26 -1.99 -1.80 115.58 112.61 1dm5 h ASN 106 Ca 0.10 -0.05 -0.08 0.00 -0.56 0.00 0.00 56.30 55.70 1dm5 h ASN 106 Cb 0.62 -0.06 -0.03 0.00 -1.06 0.00 0.00 38.32 37.79 1dm5 h ASN 106 CO 0.04 0.42 0.08 0.00 -1.06 0.00 0.00 177.43 176.91 1dm5 h ALA 107 N 1.61 0.96 -0.71 -0.83 0.00 -1.77 -1.68 119.26 116.84 1dm5 h ALA 107 Ca 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1dm5 h ALA 107 Cb 0.42 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1dm5 h ALA 107 CO 0.03 0.65 0.45 -0.07 0.00 0.00 0.00 179.25 180.30 1dm5 h LEU 108 N 0.97 0.83 -0.14 0.00 3.38 -0.88 -2.46 115.31 117.02 1dm5 h LEU 108 Ca 0.19 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1dm5 h LEU 108 Cb 0.44 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1dm5 h LEU 108 CO 0.01 0.63 -0.03 0.40 0.09 0.00 0.00 178.44 179.54 1dm5 h ILE 109 N 0.96 1.29 -1.00 1.22 2.04 -1.34 0.31 117.51 120.99 1dm5 h ILE 109 Ca 0.26 -0.97 0.18 0.00 1.00 0.00 0.00 64.86 65.33 1dm5 h ILE 109 Cb -0.07 1.65 -0.10 0.00 -0.74 0.00 0.00 36.82 37.55 1dm5 h ILE 109 CO -0.05 0.28 0.61 0.44 0.00 0.00 0.00 178.15 179.44 1dm5 h ASP 110 N -0.03 0.80 0.25 1.72 3.45 -1.18 -0.31 116.42 121.12 1dm5 h ASP 110 Ca 0.04 0.09 -0.34 0.00 0.43 0.00 0.00 57.03 57.25 1dm5 h ASP 110 Cb 0.45 -0.05 -0.04 0.00 -0.56 0.00 0.00 39.33 39.14 1dm5 h ASP 110 CO 0.01 0.30 -1.94 -0.38 -1.57 0.00 0.00 179.24 175.66 1dm5 n ILE 111 N -4.75 1.68 0.02 0.35 5.41 -0.94 -4.42 119.36 116.70 1dm5 n ILE 111 Ca 0.23 -0.72 0.09 0.00 1.00 0.00 0.00 62.75 63.35 1dm5 n ILE 111 Cb 0.55 -1.38 -0.12 0.00 -0.71 0.00 0.00 39.64 37.99 1dm5 n ILE 111 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1dm5 n LEU 112 N -3.26 0.29 -1.43 1.39 4.77 0.11 -4.26 117.00 114.60 1dm5 n LEU 112 Ca -0.27 0.12 0.06 0.00 -0.03 0.00 0.00 56.01 55.89 1dm5 n LEU 112 Cb 1.05 0.03 0.33 0.00 -2.33 0.00 0.00 43.42 42.50 1dm5 n LEU 112 CO 0.43 0.00 0.81 0.00 -1.33 0.00 0.00 177.39 177.30 1dm5 n THR 114 N -0.02 0.26 -4.17 0.00 -2.24 -1.26 -4.17 114.28 102.68 1dm5 n THR 114 Ca 0.26 -0.26 -0.23 0.00 -2.27 0.00 0.00 64.05 61.55 1dm5 n THR 114 Cb 1.08 0.87 -0.06 0.00 -2.10 0.00 0.00 70.33 70.12 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 -0.26 2.69 0.65 -0.78 -1.52 -1.26 -5.08 119.66 114.10 1dm5 s GLN 115 Ca 0.00 -1.13 -0.12 0.00 -1.95 0.00 0.00 55.36 52.16 1dm5 s GLN 115 Cb 0.00 -2.44 -0.02 0.00 -0.22 0.00 0.00 33.01 30.33 1dm5 s GLN 115 CO 0.00 0.41 1.04 -1.54 -0.25 0.00 0.00 175.29 174.95 1dm5 s SER 116 N -3.58 5.81 0.25 5.90 1.04 -1.26 -4.85 113.70 117.00 1dm5 s SER 116 Ca 0.31 1.56 -0.03 0.00 0.48 0.00 0.00 55.95 58.27 1dm5 s SER 116 Cb -0.08 -2.49 0.45 0.00 0.10 0.00 0.00 66.02 64.00 1dm5 s SER 116 CO 0.23 -1.15 1.78 0.78 0.98 0.00 0.00 173.24 175.85 1dm5 h ASN 117 N -0.38 0.56 -0.64 7.02 2.35 -1.94 -0.61 115.58 121.94 1dm5 h ASN 117 Ca -0.44 0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 55.33 1dm5 h ASN 117 Cb 1.20 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 39.52 1dm5 h ASN 117 CO 0.59 0.28 0.21 0.00 -1.65 0.00 0.00 177.43 176.86 1dm5 h ALA 118 N 1.50 0.84 -0.46 -0.83 0.00 -1.94 -1.97 119.26 116.40 1dm5 h ALA 118 Ca 0.42 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1dm5 h ALA 118 Cb 0.50 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1dm5 h ALA 118 CO -0.31 0.50 0.18 1.96 0.00 0.00 0.00 179.25 181.59 1dm5 h GLN 119 N 0.92 0.69 -0.53 0.00 4.20 -1.74 -1.95 115.11 116.70 1dm5 h GLN 119 Ca 0.21 -0.12 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 1dm5 h GLN 119 Cb 0.28 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 1dm5 h GLN 119 CO -0.01 0.62 0.13 0.82 -0.67 0.00 0.00 178.83 179.73 1dm5 h ILE 120 N 0.60 1.22 -0.19 2.54 1.08 -0.90 -1.72 117.51 120.15 1dm5 h ILE 120 Ca 0.15 -0.78 -0.15 0.00 -0.39 0.00 0.00 64.86 63.69 1dm5 h ILE 120 Cb 0.19 0.67 -0.01 0.00 -3.07 0.00 0.00 36.82 34.61 1dm5 h ILE 120 CO -0.01 0.29 -0.51 0.45 -0.69 0.00 0.00 178.15 177.68 1dm5 h HIS 121 N 0.77 0.63 -0.80 1.37 3.86 -1.12 -2.48 115.15 117.39 1dm5 h HIS 121 Ca 0.17 -0.21 -0.05 0.00 -1.16 0.00 0.00 60.37 59.13 1dm5 h HIS 121 Cb 0.28 -0.12 -0.04 0.00 1.06 0.00 0.00 27.41 28.59 1dm5 h HIS 121 CO 0.02 0.91 0.32 0.00 0.86 0.00 0.00 177.93 180.03 1dm5 h ALA 122 N 1.05 1.03 -0.57 2.45 0.00 -0.94 -1.54 119.26 120.75 1dm5 h ALA 122 Ca 0.02 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1dm5 h ALA 122 Cb 1.02 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1dm5 h ALA 122 CO 0.09 0.66 0.13 0.82 0.00 0.00 0.00 179.25 180.95 1dm5 h ILE 123 N 1.16 1.25 -0.51 0.00 2.04 -1.17 -1.43 117.51 118.85 1dm5 h ILE 123 Ca 0.27 -0.91 -0.13 0.00 1.00 0.00 0.00 64.86 65.09 1dm5 h ILE 123 Cb 0.22 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 1dm5 h ILE 123 CO -0.02 0.34 -0.18 0.11 0.00 0.00 0.00 178.15 178.40 1dm5 h LYS 124 N 0.82 1.02 -0.74 2.37 1.57 -1.29 -1.63 116.57 118.71 1dm5 h LYS 124 Ca 0.18 -0.42 -0.03 0.00 -1.87 0.00 0.00 60.65 58.51 1dm5 h LYS 124 Cb 0.36 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 1dm5 h LYS 124 CO 0.00 1.10 0.34 0.00 -0.57 0.00 0.00 179.45 180.32 1dm5 h ALA 125 N 0.89 0.96 -0.79 3.86 0.00 -1.11 -1.30 119.26 121.77 1dm5 h ALA 125 Ca 0.12 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1dm5 h ALA 125 Cb 0.76 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1dm5 h ALA 125 CO 0.06 0.54 0.30 0.00 0.00 0.00 0.00 179.25 180.15 1dm5 h ALA 126 N 1.17 1.04 -0.40 0.00 0.00 -1.10 -1.23 119.26 118.73 1dm5 h ALA 126 Ca 0.25 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1dm5 h ALA 126 Cb 0.15 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1dm5 h ALA 126 CO -0.03 0.67 0.14 0.35 0.00 0.00 0.00 179.25 180.38 1dm5 h PHE 127 N 1.15 0.63 -0.30 0.00 3.04 -0.89 0.25 116.94 120.81 1dm5 h PHE 127 Ca 0.26 -0.06 -0.01 0.00 3.98 0.00 0.00 57.97 62.15 1dm5 h PHE 127 Cb 0.24 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.55 1dm5 h PHE 127 CO 0.02 0.58 0.16 -0.22 -2.02 0.00 0.00 178.31 176.83 1dm5 h LYS 128 N 0.50 0.43 -0.26 1.11 3.64 -1.12 1.33 116.57 122.20 1dm5 h LYS 128 Ca 0.13 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1dm5 h LYS 128 Cb 0.23 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 1dm5 h LYS 128 CO -0.01 0.38 0.06 1.25 -2.27 0.00 0.00 179.45 178.86 1dm5 h LEU 129 N 0.37 0.04 -0.01 5.20 5.85 -1.07 0.21 115.31 125.90 1dm5 h LEU 129 Ca 0.11 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 1dm5 h LEU 129 Cb 0.08 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 1dm5 h LEU 129 CO -0.02 0.06 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.07 1dm5 h LEU 130 N 0.17 0.01 -0.54 2.25 3.38 -0.17 -3.37 115.31 117.04 1dm5 h LEU 130 Ca 0.12 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1dm5 h LEU 130 Cb 0.11 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1dm5 h LEU 130 CO -0.14 0.37 -0.34 -1.22 0.09 0.00 0.00 178.44 177.19 1dm5 n TYR 131 N -4.91 0.00 -1.64 1.13 4.02 0.45 -4.95 117.16 111.26 1dm5 n TYR 131 Ca -0.08 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.62 1dm5 n TYR 131 Cb 0.19 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.44 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 -0.55 -1.33 -4.33 -0.72 4.81 0.72 -4.97 118.16 111.79 1dm5 n LYS 132 Ca 0.04 1.13 -0.17 0.00 -0.87 0.00 0.00 58.31 58.44 1dm5 n LYS 132 Cb 0.23 -5.45 -0.10 0.00 0.02 0.00 0.00 35.03 29.72 1dm5 n LYS 132 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1dm5 s GLU 133 N -3.75 1.32 -0.06 1.64 -6.30 -1.26 -5.06 118.70 105.22 1dm5 s GLU 133 Ca 0.00 -1.64 -0.21 0.00 -2.50 0.00 0.00 54.97 50.62 1dm5 s GLU 133 Cb 0.00 -0.79 -0.04 0.00 0.00 0.00 0.00 34.13 33.30 1dm5 s GLU 133 CO 0.00 0.00 0.61 0.34 0.02 0.00 0.00 175.26 176.23 1dm5 s ASP 134 N -3.30 6.90 0.15 -1.70 -1.08 -1.26 -3.97 116.67 112.40 1dm5 s ASP 134 Ca 0.25 1.07 -0.18 0.00 -0.52 0.00 0.00 52.55 53.18 1dm5 s ASP 134 Cb 0.04 -2.36 0.04 0.00 -1.46 0.00 0.00 42.92 39.17 1dm5 s ASP 134 CO 0.07 -0.02 1.70 0.25 0.52 0.00 0.00 175.17 177.69 1dm5 h LEU 135 N 6.41 -0.21 -1.26 -1.34 5.85 -1.93 -2.14 115.31 120.70 1dm5 h LEU 135 Ca -0.42 0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.42 1dm5 h LEU 135 Cb 1.19 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.33 1dm5 h LEU 135 CO 0.74 -0.07 0.52 -0.08 -0.34 0.00 0.00 178.44 179.21 1dm5 h GLU 136 N 0.04 0.93 -0.46 1.25 4.81 -1.98 -2.12 114.58 117.06 1dm5 h GLU 136 Ca 0.15 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.35 1dm5 h GLU 136 Cb 0.21 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 1dm5 h GLU 136 CO -0.28 0.61 0.24 0.87 -0.73 0.00 0.00 179.01 179.72 1dm5 h LYS 137 N 0.95 0.46 -0.41 1.92 1.57 -1.80 -1.47 116.57 117.78 1dm5 h LYS 137 Ca 0.31 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.95 1dm5 h LYS 137 Cb 0.06 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1dm5 h LYS 137 CO -0.09 0.30 -0.22 0.93 -0.57 0.00 0.00 179.45 179.80 1dm5 h GLU 138 N 0.47 0.83 -0.31 3.15 4.39 -1.32 -2.59 114.58 119.18 1dm5 h GLU 138 Ca 0.20 -0.34 0.03 0.00 0.34 0.00 0.00 59.36 59.59 1dm5 h GLU 138 Cb 0.09 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.67 1dm5 h GLU 138 CO -0.13 0.97 0.12 0.82 -1.16 0.00 0.00 179.01 179.63 1dm5 h ILE 139 N 0.72 0.94 0.00 3.13 1.08 -1.00 -1.01 117.51 121.37 1dm5 h ILE 139 Ca 0.10 -0.09 -0.02 0.00 -0.39 0.00 0.00 64.86 64.45 1dm5 h ILE 139 Cb 0.74 0.64 -0.00 0.00 -3.07 0.00 0.00 36.82 35.13 1dm5 h ILE 139 CO 0.06 0.05 -0.10 0.40 -0.69 0.00 0.00 178.15 177.87 1dm5 h ILE 140 N 0.27 0.49 0.00 -0.67 2.04 -1.01 -1.80 117.51 116.82 1dm5 h ILE 140 Ca 0.14 -0.49 -0.15 0.00 1.00 0.00 0.00 64.86 65.36 1dm5 h ILE 140 Cb 0.09 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 1dm5 h ILE 140 CO -0.13 0.10 -0.70 0.77 0.00 0.00 0.00 178.15 178.19 1dm5 h SER 141 N 0.00 0.00 -0.17 1.72 4.64 -0.83 -3.34 113.55 115.57 1dm5 h SER 141 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1dm5 h SER 141 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1dm5 h SER 141 CO 0.01 0.70 0.00 -0.62 -0.87 0.00 0.00 176.83 176.05 1dm5 n GLU 142 N -3.33 1.64 -4.22 4.77 -0.58 -0.79 -4.98 120.64 113.15 1dm5 n GLU 142 Ca 0.01 -1.65 -0.13 0.00 -0.42 0.00 0.00 57.16 54.97 1dm5 n GLU 142 Cb 0.80 -1.29 -0.10 0.00 -0.57 0.00 0.00 31.44 30.27 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 -1.10 0.45 0.35 2.62 -4.23 -0.75 -4.93 115.64 108.06 1dm5 s THR 143 Ca 0.21 -1.96 -0.06 0.00 -1.18 0.00 0.00 61.69 58.70 1dm5 s THR 143 Cb 0.13 -2.18 0.02 0.00 1.34 0.00 0.00 72.50 71.80 1dm5 s THR 143 CO 0.18 -0.39 0.56 -0.94 -0.54 0.00 0.00 174.62 173.49 1dm5 s SER 144 N -3.15 0.66 0.77 3.99 1.04 -1.26 -4.72 113.70 111.02 1dm5 s SER 144 Ca 0.27 -1.38 0.00 0.00 0.48 0.00 0.00 55.95 55.31 1dm5 s SER 144 Cb 0.07 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.90 1dm5 s SER 144 CO 0.05 -1.40 0.00 0.61 0.98 0.00 0.00 173.24 173.48 1dm5 n GLY 145 N -0.55 1.55 0.30 7.32 0.00 -1.26 -2.11 105.19 110.44 1dm5 n GLY 145 Ca -0.02 -0.61 -0.07 0.00 0.00 0.00 0.00 46.02 45.33 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 9.27 0.91 -0.59 1.61 2.35 -2.00 -2.51 115.58 124.62 1dm5 h ASN 146 Ca 0.00 -0.24 -0.05 0.00 -0.55 0.00 0.00 56.30 55.46 1dm5 h ASN 146 Cb 0.00 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 1dm5 h ASN 146 CO 0.00 0.96 0.17 0.15 -1.65 0.00 0.00 177.43 177.06 1dm5 h PHE 147 N 0.86 0.96 -0.57 1.19 3.57 -1.93 -1.15 116.94 119.88 1dm5 h PHE 147 Ca 0.16 -0.10 0.05 0.00 3.53 0.00 0.00 57.97 61.61 1dm5 h PHE 147 Cb 0.50 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 38.92 1dm5 h PHE 147 CO 0.03 0.81 0.29 0.37 -2.23 0.00 0.00 178.31 177.58 1dm5 h GLN 148 N 0.84 0.54 -0.59 1.11 4.15 -1.28 -2.40 115.11 117.48 1dm5 h GLN 148 Ca 0.19 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.51 1dm5 h GLN 148 Cb 0.31 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.86 1dm5 h GLN 148 CO -0.00 0.36 0.11 0.00 -1.93 0.00 0.00 178.83 177.36 1dm5 h ARG 149 N 0.55 0.96 -0.79 1.69 3.08 -0.95 -0.82 114.38 118.10 1dm5 h ARG 149 Ca 0.25 -0.25 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1dm5 h ARG 149 Cb 0.17 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 1dm5 h ARG 149 CO -0.18 0.91 0.32 1.25 -1.07 0.00 0.00 179.97 181.20 1dm5 h LEU 150 N 0.86 1.08 -0.72 3.04 5.85 -1.06 -1.21 115.31 123.15 1dm5 h LEU 150 Ca 0.18 -0.17 -0.11 0.00 0.84 0.00 0.00 57.88 58.62 1dm5 h LEU 150 Cb 0.40 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1dm5 h LEU 150 CO 0.01 0.95 -0.16 -0.07 -0.34 0.00 0.00 178.44 178.83 1dm5 h LEU 151 N 1.14 0.81 -1.28 2.25 3.38 -1.19 -0.73 115.31 119.70 1dm5 h LEU 151 Ca 0.26 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1dm5 h LEU 151 Cb 0.21 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1dm5 h LEU 151 CO -0.02 0.97 0.08 0.58 0.09 0.00 0.00 178.44 180.14 1dm5 h VAL 152 N 0.72 1.18 0.02 1.22 2.07 -0.78 -1.58 116.25 119.09 1dm5 h VAL 152 Ca 0.11 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 1dm5 h VAL 152 Cb 0.67 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1dm5 h VAL 152 CO 0.05 0.24 -0.01 0.28 0.02 0.00 0.00 177.57 178.15 1dm5 h SER 153 N 0.56 -0.02 -1.01 0.57 0.02 -0.71 -2.83 113.55 110.14 1dm5 h SER 153 Ca 0.13 -0.20 0.11 0.00 -0.84 0.00 0.00 61.79 60.99 1dm5 h SER 153 Cb 0.23 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.70 1dm5 h SER 153 CO -0.00 0.19 0.64 0.24 -1.14 0.00 0.00 176.83 176.75 1dm5 h MET 154 N -0.23 1.01 0.00 3.45 2.07 -0.77 -1.58 114.93 118.88 1dm5 h MET 154 Ca -0.00 -0.06 0.00 0.00 -2.07 0.00 0.00 59.70 57.57 1dm5 h MET 154 Cb 0.22 -0.23 0.00 0.00 -1.87 0.00 0.00 31.60 29.72 1dm5 h MET 154 CO 0.00 0.67 0.00 1.28 1.07 0.00 0.00 176.91 179.93 1dm5 n LEU 155 N -4.59 0.47 0.19 1.22 4.77 -0.63 -2.64 117.00 115.79 1dm5 n LEU 155 Ca 0.18 0.63 0.08 0.00 -0.03 0.00 0.00 56.01 56.87 1dm5 n LEU 155 Cb 0.31 -0.58 0.18 0.00 -2.33 0.00 0.00 43.42 41.01 1dm5 n LEU 155 CO 0.28 -0.53 0.67 1.56 -1.33 0.00 0.00 177.39 178.05 1dm5 h GLN 156 N 0.00 0.00 -5.90 3.23 1.08 -1.19 -3.47 115.11 108.86 1dm5 h GLN 156 Ca 0.00 0.00 -0.40 0.00 -1.45 0.00 0.00 58.65 56.80 1dm5 h GLN 156 Cb 0.29 0.00 0.11 0.00 -0.05 0.00 0.00 27.48 27.82 1dm5 h GLN 156 CO 0.00 0.26 -0.73 0.41 -0.95 0.00 0.00 178.83 177.82 1dm5 n GLY 157 N 0.93 -0.46 0.75 3.46 0.00 -1.08 -4.90 105.19 103.89 1dm5 n GLY 157 Ca 0.02 0.19 0.04 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.69 4.72 3.77 -0.02 0.00 -1.26 -4.82 105.19 105.89 1dm5 n GLY 158 Ca -0.10 -1.17 -0.40 0.00 0.00 0.00 0.00 46.02 44.35 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 -3.06 4.03 -1.21 1.61 3.52 -1.26 -4.86 118.95 117.73 1dm5 s ARG 159 Ca 0.40 2.37 -0.19 0.00 -0.13 0.00 0.00 55.73 58.19 1dm5 s ARG 159 Cb 0.36 -2.87 0.08 0.00 -1.56 0.00 0.00 34.95 30.95 1dm5 s ARG 159 CO 0.02 -0.52 1.60 0.21 -0.81 0.00 0.00 175.30 175.80 1dm5 s LYS 160 N -2.15 3.89 0.29 5.12 2.20 0.25 -4.79 119.74 124.55 1dm5 s LYS 160 Ca 0.55 -1.86 0.25 0.00 -0.36 0.00 0.00 55.97 54.54 1dm5 s LYS 160 Cb -0.43 -5.41 0.99 0.00 -1.51 0.00 0.00 37.83 31.48 1dm5 s LYS 160 CO 0.56 -2.16 1.75 0.93 -0.36 0.00 0.00 175.35 176.07 1dm5 h GLU 161 N 8.09 0.00 -0.67 4.03 5.08 -1.89 -1.79 114.58 127.42 1dm5 h GLU 161 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1dm5 h GLU 161 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1dm5 h GLU 161 CO 1.41 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 179.02 1dm5 n ASP 162 N -2.35 4.01 -4.68 1.42 5.75 -1.26 -4.87 116.55 114.57 1dm5 n ASP 162 Ca 0.02 -2.18 -0.42 0.00 -0.01 0.00 0.00 54.79 52.20 1dm5 n ASP 162 Cb 0.27 -0.50 -0.03 0.00 -1.03 0.00 0.00 41.12 39.83 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 -1.41 4.27 0.58 0.11 2.12 -0.68 -4.98 118.70 118.70 1dm5 s GLU 163 Ca 0.46 1.86 -0.15 0.00 0.36 0.00 0.00 54.97 57.51 1dm5 s GLU 163 Cb 0.27 -3.68 -0.04 0.00 0.26 0.00 0.00 34.13 30.93 1dm5 s GLU 163 CO 0.27 -0.63 1.04 -1.25 -0.54 0.00 0.00 175.26 174.15 1dm5 s PRO 164 N 2.90 3.47 0.22 4.30 0.04 -1.26 -4.58 135.00 140.09 1dm5 s PRO 164 Ca 0.61 1.08 -0.31 0.00 0.04 0.00 0.00 61.00 62.42 1dm5 s PRO 164 Cb -0.28 -2.06 -0.11 0.00 0.04 0.00 0.00 34.50 32.09 1dm5 s PRO 164 CO 0.23 -0.68 1.67 0.08 0.04 0.00 0.00 177.00 178.34 1dm5 s VAL 165 N -2.60 2.14 -0.27 -0.36 1.01 -1.26 -4.76 120.40 114.30 1dm5 s VAL 165 Ca 0.61 0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.67 1dm5 s VAL 165 Cb -0.14 -3.07 0.16 0.00 0.00 0.00 0.00 36.38 33.33 1dm5 s VAL 165 CO 0.38 0.01 0.49 0.21 0.00 0.00 0.00 175.10 176.19 1dm5 s ASN 166 N 1.02 -0.57 0.23 3.32 3.84 -1.26 -5.06 114.94 116.47 1dm5 s ASN 166 Ca 0.71 0.63 -0.07 0.00 0.21 0.00 0.00 52.86 54.34 1dm5 s ASN 166 Cb -0.48 1.65 0.38 0.00 -0.55 0.00 0.00 41.25 42.25 1dm5 s ASN 166 CO 0.35 -0.27 1.72 0.00 -2.79 0.00 0.00 177.10 176.11 1dm5 h ALA 167 N 8.09 0.91 0.10 1.71 0.00 -1.97 0.88 119.26 128.98 1dm5 h ALA 167 Ca -0.21 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1dm5 h ALA 167 Cb 1.15 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1dm5 h ALA 167 CO 0.25 -0.25 -0.05 0.00 0.00 0.00 0.00 179.25 179.20 1dm5 h ALA 168 N 1.52 -0.14 -0.05 0.00 0.00 -1.99 0.43 119.26 119.03 1dm5 h ALA 168 Ca 0.37 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1dm5 h ALA 168 Cb 0.55 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1dm5 h ALA 168 CO -0.40 -0.39 -0.15 0.45 0.00 0.00 0.00 179.25 178.76 1dm5 h HIS 169 N -0.51 0.08 -0.51 0.00 3.86 -1.96 -0.69 115.15 115.41 1dm5 h HIS 169 Ca -0.01 -0.01 -0.13 0.00 -1.16 0.00 0.00 60.37 59.06 1dm5 h HIS 169 Cb 0.42 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.85 1dm5 h HIS 169 CO 0.05 0.23 -0.17 0.00 0.86 0.00 0.00 177.93 178.89 1dm5 h ALA 170 N 1.78 0.71 -0.43 2.45 0.00 -0.52 -1.72 119.26 121.52 1dm5 h ALA 170 Ca 0.01 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 1dm5 h ALA 170 Cb 0.31 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1dm5 h ALA 170 CO 0.02 0.67 -0.05 0.00 0.00 0.00 0.00 179.25 179.89 1dm5 h ALA 171 N 0.89 1.09 0.80 0.00 0.00 0.76 -2.19 119.26 120.60 1dm5 h ALA 171 Ca 0.12 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1dm5 h ALA 171 Cb 0.75 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1dm5 h ALA 171 CO 0.06 0.57 -0.50 0.93 0.00 0.00 0.00 179.25 180.31 1dm5 h GLU 172 N 0.68 -1.17 -0.72 0.00 5.08 -0.73 -0.30 114.58 117.43 1dm5 h GLU 172 Ca 0.13 0.08 0.16 0.00 -1.00 0.00 0.00 59.36 58.73 1dm5 h GLU 172 Cb 0.50 0.27 -0.12 0.00 0.50 0.00 0.00 28.75 29.90 1dm5 h GLU 172 CO 0.03 -0.78 0.08 -0.44 -1.00 0.00 0.00 179.01 176.89 1dm5 h ASP 173 N -1.22 -0.18 -0.44 1.42 3.45 -1.24 0.63 116.42 118.84 1dm5 h ASP 173 Ca -0.11 0.17 -0.11 0.00 0.43 0.00 0.00 57.03 57.41 1dm5 h ASP 173 Cb 0.97 0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 40.00 1dm5 h ASP 173 CO 0.10 -0.11 -0.13 0.00 -1.57 0.00 0.00 179.24 177.54 1dm5 h ALA 174 N 1.64 0.86 -0.33 3.45 0.00 -1.26 0.56 119.26 124.18 1dm5 h ALA 174 Ca 0.40 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1dm5 h ALA 174 Cb 0.68 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1dm5 h ALA 174 CO -0.57 0.64 -0.20 0.00 0.00 0.00 0.00 179.25 179.13 1dm5 h ALA 175 N 1.04 0.47 -0.45 0.00 0.00 0.66 0.28 119.26 121.26 1dm5 h ALA 175 Ca 0.13 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1dm5 h ALA 175 Cb 0.66 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1dm5 h ALA 175 CO 0.05 0.41 0.18 0.00 0.00 0.00 0.00 179.25 179.89 1dm5 h ALA 176 N 0.76 1.46 -0.36 0.00 0.00 0.67 -0.50 119.26 121.29 1dm5 h ALA 176 Ca 0.07 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 1dm5 h ALA 176 Cb 0.74 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1dm5 h ALA 176 CO 0.06 0.41 -0.42 0.82 0.00 0.00 0.00 179.25 180.11 1dm5 h ILE 177 N 0.64 1.27 -0.55 0.00 2.04 0.47 -2.46 117.51 118.93 1dm5 h ILE 177 Ca 0.16 -1.60 0.08 0.00 1.00 0.00 0.00 64.86 64.50 1dm5 h ILE 177 Cb 0.14 1.44 -0.06 0.00 -0.74 0.00 0.00 36.82 37.59 1dm5 h ILE 177 CO -0.02 0.53 0.20 0.22 0.00 0.00 0.00 178.15 179.09 1dm5 h TYR 178 N 0.74 0.35 0.00 1.37 3.20 0.75 -2.07 116.97 121.31 1dm5 h TYR 178 Ca 0.05 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.89 1dm5 h TYR 178 Cb 1.02 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.21 1dm5 h TYR 178 CO 0.06 0.10 -0.29 1.96 -1.64 0.00 0.00 178.16 178.35 1dm5 h GLN 179 N 0.38 0.00 0.00 1.82 1.08 -1.03 0.35 115.11 117.71 1dm5 h GLN 179 Ca 0.27 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.47 1dm5 h GLN 179 Cb 0.31 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 1dm5 h GLN 179 CO -0.27 0.29 -0.14 0.00 -0.95 0.00 0.00 178.83 177.76 1dm5 n ALA 180 N -2.33 2.58 -1.82 3.87 0.00 -0.79 -3.48 120.51 118.54 1dm5 n ALA 180 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1dm5 n ALA 180 Cb 0.40 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1dm5 n ALA 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dm5 n GLY 181 N 1.44 0.96 0.29 0.00 0.00 -1.14 -0.76 105.19 105.99 1dm5 n GLY 181 Ca 0.06 -0.06 0.02 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 -0.06 1.61 5.08 -1.79 -1.35 114.58 118.07 1dm5 h GLU 182 Ca 0.00 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1dm5 h GLU 182 Cb 0.00 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1dm5 h GLU 182 CO 0.00 0.00 0.04 0.78 -1.00 0.00 0.00 179.01 178.83 1dm5 h GLY 183 N 0.00 0.00 -1.68 -3.84 0.00 -0.50 -3.45 103.07 93.60 1dm5 h GLY 183 Ca 0.38 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 47.09 1dm5 h GLY 183 CO -0.80 0.00 -0.59 -0.86 0.00 0.00 0.00 176.54 174.28 1dm5 s GLN 184 N -5.05 1.98 -0.12 4.80 -2.07 -0.51 -4.97 119.66 113.71 1dm5 s GLN 184 Ca -0.05 -2.09 -0.21 0.00 -1.82 0.00 0.00 55.36 51.20 1dm5 s GLN 184 Cb 0.17 -1.67 -0.18 0.00 -1.09 0.00 0.00 33.01 30.24 1dm5 s GLN 184 CO 0.67 -0.05 0.57 0.82 -1.32 0.00 0.00 175.29 175.98 1dm5 h ILE 185 N 1.75 1.25 -1.37 3.63 2.04 -1.87 -3.46 117.51 119.47 1dm5 h ILE 185 Ca -0.44 -1.90 0.00 0.00 1.00 0.00 0.00 64.86 63.52 1dm5 h ILE 185 Cb 1.24 2.35 0.00 0.00 -0.74 0.00 0.00 36.82 39.67 1dm5 h ILE 185 CO 0.80 0.42 0.00 0.61 0.00 0.00 0.00 178.15 179.98 1dm5 n GLY 186 N 1.58 -1.18 3.01 5.37 0.00 -1.26 -5.08 105.19 107.63 1dm5 n GLY 186 Ca -0.07 -1.61 -0.16 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.47 0.54 -0.96 2.61 2.01 -1.26 -4.71 115.64 113.41 1dm5 s THR 187 Ca 0.00 -0.52 -0.07 0.00 0.31 0.00 0.00 61.69 61.41 1dm5 s THR 187 Cb 0.00 -0.50 0.24 0.00 0.01 0.00 0.00 72.50 72.25 1dm5 s THR 187 CO 0.00 -0.00 0.90 -0.62 -0.69 0.00 0.00 174.62 174.20 1dm5 s ASP 188 N -0.58 6.61 0.29 3.53 3.68 0.06 -4.89 116.67 125.37 1dm5 s ASP 188 Ca -0.01 -3.47 0.02 0.00 2.13 0.00 0.00 52.55 51.22 1dm5 s ASP 188 Cb -0.05 -2.07 0.58 0.00 -1.45 0.00 0.00 42.92 39.93 1dm5 s ASP 188 CO 0.00 -0.29 1.84 -0.08 0.13 0.00 0.00 175.17 176.77 1dm5 h GLU 189 N 6.60 0.94 -0.19 4.34 4.22 -1.97 -2.01 114.58 126.51 1dm5 h GLU 189 Ca 0.15 -0.06 0.05 0.00 0.08 0.00 0.00 59.36 59.58 1dm5 h GLU 189 Cb 0.88 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1dm5 h GLU 189 CO 0.90 0.62 0.21 0.66 -2.18 0.00 0.00 179.01 179.22 1dm5 h SER 190 N 0.97 0.00 -0.09 1.04 4.64 -1.97 -1.06 113.55 117.08 1dm5 h SER 190 Ca 0.49 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.63 1dm5 h SER 190 Cb 0.51 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.61 1dm5 h SER 190 CO -0.26 0.00 -0.65 -0.09 -0.87 0.00 0.00 176.83 174.96 1dm5 h ARG 191 N 0.00 0.61 -0.47 4.77 9.65 -1.77 0.23 114.38 127.39 1dm5 h ARG 191 Ca 0.09 -0.53 0.06 0.00 -1.10 0.00 0.00 59.98 58.50 1dm5 h ARG 191 Cb 0.50 0.12 -0.05 0.00 -1.39 0.00 0.00 29.97 29.15 1dm5 h ARG 191 CO -0.00 1.15 0.16 0.74 2.80 0.00 0.00 179.97 184.82 1dm5 h PHE 192 N 0.24 0.29 -0.31 2.20 0.04 -1.35 -1.32 116.94 116.74 1dm5 h PHE 192 Ca -0.06 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.74 1dm5 h PHE 192 Cb 1.30 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 39.38 1dm5 h PHE 192 CO 0.11 0.10 0.20 -0.97 -0.60 0.00 0.00 178.31 177.14 1dm5 h ASN 193 N 0.34 0.34 -0.22 2.17 -1.24 -1.06 -1.90 115.58 114.00 1dm5 h ASN 193 Ca 0.22 -0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.21 1dm5 h ASN 193 Cb 0.23 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.19 1dm5 h ASN 193 CO -0.23 0.25 0.07 0.00 -1.29 0.00 0.00 177.43 176.22 1dm5 h ALA 194 N 1.12 0.29 -0.27 1.57 0.00 -0.62 -2.10 119.26 119.24 1dm5 h ALA 194 Ca 0.11 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1dm5 h ALA 194 Cb -0.04 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1dm5 h ALA 194 CO -0.03 -0.09 -0.26 0.28 0.00 0.00 0.00 179.25 179.15 1dm5 h VAL 195 N 0.19 1.31 0.00 0.00 2.07 -1.15 -2.54 116.25 116.12 1dm5 h VAL 195 Ca 0.07 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.17 1dm5 h VAL 195 Cb 0.23 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1dm5 h VAL 195 CO -0.00 0.45 0.00 -0.07 0.02 0.00 0.00 177.57 177.97 1dm5 h LEU 196 N 0.37 0.00 0.00 2.57 4.07 -1.36 -2.55 115.31 118.41 1dm5 h LEU 196 Ca 0.04 0.00 -0.25 0.00 0.08 0.00 0.00 57.88 57.75 1dm5 h LEU 196 Cb 0.82 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.52 1dm5 h LEU 196 CO 0.06 0.00 -1.93 0.00 -1.08 0.00 0.00 178.44 175.50 1dm5 n ALA 197 N -1.88 1.77 -0.05 1.53 0.00 -0.79 -4.63 120.51 116.45 1dm5 n ALA 197 Ca 0.02 -0.90 -0.02 0.00 0.00 0.00 0.00 53.44 52.54 1dm5 n ALA 197 Cb 0.31 -0.61 -0.13 0.00 0.00 0.00 0.00 19.45 19.02 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 -2.80 0.73 -2.45 0.00 -2.24 -0.97 -4.21 114.28 102.34 1dm5 n THR 198 Ca -0.20 -0.58 -0.40 0.00 -2.27 0.00 0.00 64.05 60.61 1dm5 n THR 198 Cb 0.98 -0.35 -0.04 0.00 -2.10 0.00 0.00 70.33 68.82 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 -2.64 4.50 0.74 -0.78 1.81 -0.97 -0.59 118.95 121.03 1dm5 s ARG 199 Ca -0.07 1.78 -0.15 0.00 -1.72 0.00 0.00 55.73 55.57 1dm5 s ARG 199 Cb 0.07 -3.04 0.03 0.00 -0.45 0.00 0.00 34.95 31.55 1dm5 s ARG 199 CO 0.67 0.09 1.09 -1.13 -0.68 0.00 0.00 175.30 175.34 1dm5 n SER 200 N 0.88 0.91 -0.28 0.23 3.41 -1.19 -4.71 113.62 112.87 1dm5 n SER 200 Ca 0.00 0.67 0.01 0.00 -0.26 0.00 0.00 58.87 59.29 1dm5 n SER 200 Cb 0.45 -1.46 0.15 0.00 -0.26 0.00 0.00 64.21 63.09 1dm5 n SER 200 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1dm5 h TYR 201 N -0.33 0.82 -0.44 7.33 -1.99 -1.89 -0.75 116.97 119.71 1dm5 h TYR 201 Ca -0.48 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.26 1dm5 h TYR 201 Cb 1.32 -0.25 -0.02 0.00 2.00 0.00 0.00 36.73 39.78 1dm5 h TYR 201 CO 0.42 0.36 0.18 -1.35 -0.00 0.00 0.00 178.16 177.77 1dm5 h PRO 202 N 0.78 0.65 -0.73 4.88 0.11 -1.90 -0.95 132.00 134.85 1dm5 h PRO 202 Ca 0.37 -0.11 -0.00 0.00 0.11 0.00 0.00 66.00 66.36 1dm5 h PRO 202 Cb 0.29 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 31.26 1dm5 h PRO 202 CO -0.22 0.59 0.44 0.37 -0.21 0.00 0.00 178.00 178.97 1dm5 h GLN 203 N 0.57 0.98 -0.88 1.05 5.75 -1.76 -1.50 115.11 119.31 1dm5 h GLN 203 Ca 0.15 -0.08 -0.00 0.00 -0.15 0.00 0.00 58.65 58.56 1dm5 h GLN 203 Cb 0.18 -0.21 -0.04 0.00 1.07 0.00 0.00 27.48 28.48 1dm5 h GLN 203 CO -0.01 0.68 0.55 -0.07 -2.65 0.00 0.00 178.83 177.33 1dm5 h LEU 204 N 1.00 1.05 -0.34 -2.39 3.38 -0.81 0.29 115.31 117.48 1dm5 h LEU 204 Ca 0.26 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.22 1dm5 h LEU 204 Cb -0.05 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.40 1dm5 h LEU 204 CO -0.05 0.79 0.12 -0.74 0.09 0.00 0.00 178.44 178.65 1dm5 h HIS 205 N 1.21 0.21 -0.21 1.13 2.76 -0.18 0.29 115.15 120.35 1dm5 h HIS 205 Ca 0.32 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.50 1dm5 h HIS 205 Cb -0.08 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 28.83 1dm5 h HIS 205 CO -0.00 0.09 0.12 0.37 -1.30 0.00 0.00 177.93 177.20 1dm5 h GLN 206 N 0.26 0.30 -0.53 5.26 5.75 -0.65 -1.84 115.11 123.66 1dm5 h GLN 206 Ca 0.16 -0.03 0.10 0.00 -0.15 0.00 0.00 58.65 58.72 1dm5 h GLN 206 Cb 0.13 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.59 1dm5 h GLN 206 CO -0.16 0.27 0.36 0.82 -2.65 0.00 0.00 178.83 177.47 1dm5 h ILE 207 N 0.24 0.88 0.00 2.39 2.04 0.14 0.08 117.51 123.28 1dm5 h ILE 207 Ca 0.08 -0.10 -0.15 0.00 1.00 0.00 0.00 64.86 65.69 1dm5 h ILE 207 Cb 0.06 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 1dm5 h ILE 207 CO -0.01 0.05 -0.70 -0.26 0.00 0.00 0.00 178.15 177.23 1dm5 h PHE 208 N 0.30 0.00 0.17 1.37 0.05 -0.13 -2.26 116.94 116.45 1dm5 h PHE 208 Ca 0.25 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 62.03 1dm5 h PHE 208 Cb 0.57 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.52 1dm5 h PHE 208 CO -0.00 0.70 -0.08 1.25 -0.18 0.00 0.00 178.31 180.00 1dm5 h HIS 209 N 0.00 -0.21 -0.61 -0.55 -0.00 -0.64 -2.83 115.15 110.30 1dm5 h HIS 209 Ca -0.01 -0.01 0.18 0.00 -0.00 0.00 0.00 60.37 60.53 1dm5 h HIS 209 Cb 1.31 0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 28.77 1dm5 h HIS 209 CO 0.00 0.07 0.52 0.93 -0.00 0.00 0.00 177.93 179.45 1dm5 h GLU 210 N -0.50 0.00 -0.23 5.26 4.39 -0.98 -0.93 114.58 121.59 1dm5 h GLU 210 Ca -0.02 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.53 1dm5 h GLU 210 Cb 0.38 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1dm5 h GLU 210 CO 0.04 0.00 -0.43 -0.92 -1.16 0.00 0.00 179.01 176.54 1dm5 h TYR 211 N 0.00 0.88 0.00 4.33 3.20 -1.16 -2.86 116.97 121.35 1dm5 h TYR 211 Ca 0.29 -0.31 -0.00 0.00 3.14 0.00 0.00 58.73 61.84 1dm5 h TYR 211 Cb 1.32 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 39.43 1dm5 h TYR 211 CO 0.00 1.09 -0.01 0.66 -1.64 0.00 0.00 178.16 178.26 1dm5 h SER 212 N 0.41 0.00 1.08 -2.11 4.64 -1.05 0.51 113.55 117.04 1dm5 h SER 212 Ca 0.01 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.21 1dm5 h SER 212 Cb 1.03 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.11 1dm5 h SER 212 CO 0.10 0.01 -0.57 0.11 -0.87 0.00 0.00 176.83 175.60 1dm5 h LYS 213 N 0.00 0.00 -0.01 4.77 1.57 -1.24 -3.34 116.57 118.33 1dm5 h LYS 213 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1dm5 h LYS 213 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1dm5 h LYS 213 CO 0.00 0.57 -0.18 0.44 -0.57 0.00 0.00 179.45 179.71 1dm5 n ILE 214 N -3.42 0.00 -4.11 1.86 -5.35 -0.07 -5.03 119.36 103.26 1dm5 n ILE 214 Ca 0.00 -0.41 -0.12 0.00 -0.27 0.00 0.00 62.75 61.96 1dm5 n ILE 214 Cb 0.69 1.09 -0.11 0.00 -1.74 0.00 0.00 39.64 39.57 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 -1.22 0.95 0.00 7.28 0.15 -0.03 -4.99 113.70 115.84 1dm5 s SER 215 Ca 0.06 -0.75 0.31 0.00 0.70 0.00 0.00 55.95 56.27 1dm5 s SER 215 Cb 0.06 0.07 1.61 0.00 -1.71 0.00 0.00 66.02 66.05 1dm5 s SER 215 CO 0.21 -0.33 2.08 0.59 1.20 0.00 0.00 173.24 176.99 1dm5 n ASN 216 N 0.80 0.19 -4.79 5.45 5.03 -1.26 -4.58 115.26 116.11 1dm5 n ASN 216 Ca -0.18 -0.71 -0.33 0.00 0.87 0.00 0.00 54.58 54.23 1dm5 n ASN 216 Cb 0.57 -0.10 -0.07 0.00 -1.02 0.00 0.00 39.78 39.17 1dm5 n ASN 216 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1dm5 s LYS 217 N -2.25 3.11 0.96 3.52 1.02 -1.26 -5.10 119.74 119.73 1dm5 s LYS 217 Ca 0.38 -0.45 -0.15 0.00 0.02 0.00 0.00 55.97 55.78 1dm5 s LYS 217 Cb 0.21 -2.89 0.18 0.00 -0.52 0.00 0.00 37.83 34.81 1dm5 s LYS 217 CO 0.41 0.66 1.21 0.95 -0.92 0.00 0.00 175.35 177.66 1dm5 s THR 218 N -1.17 1.93 0.43 2.17 -4.23 -1.26 -4.54 115.64 108.97 1dm5 s THR 218 Ca 0.22 0.00 0.13 0.00 -1.18 0.00 0.00 61.69 60.86 1dm5 s THR 218 Cb -0.12 -2.84 0.18 0.00 1.34 0.00 0.00 72.50 71.05 1dm5 s THR 218 CO 0.13 0.00 1.97 -0.29 -0.54 0.00 0.00 174.62 175.89 1dm5 h ILE 219 N -1.66 1.15 0.00 2.99 6.09 -1.95 -1.10 117.51 123.03 1dm5 h ILE 219 Ca -0.46 -0.68 -0.00 0.00 -1.37 0.00 0.00 64.86 62.35 1dm5 h ILE 219 Cb 1.29 1.31 0.00 0.00 0.47 0.00 0.00 36.82 39.89 1dm5 h ILE 219 CO 0.49 0.20 -0.00 -0.07 -3.07 0.00 0.00 178.15 175.70 1dm5 h LEU 220 N 0.06 -0.01 -0.84 2.19 -0.00 -1.99 -1.99 115.31 112.74 1dm5 h LEU 220 Ca 0.01 -0.62 0.07 0.00 -0.00 0.00 0.00 57.88 57.34 1dm5 h LEU 220 Cb 0.34 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 40.94 1dm5 h LEU 220 CO 0.02 0.62 0.51 1.56 -0.00 0.00 0.00 178.44 181.15 1dm5 h GLN 221 N -0.63 0.88 -0.36 1.13 4.20 -1.87 0.29 115.11 118.75 1dm5 h GLN 221 Ca -0.00 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 1dm5 h GLN 221 Cb 0.62 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 1dm5 h GLN 221 CO 0.00 0.59 0.17 0.00 -0.67 0.00 0.00 178.83 178.91 1dm5 h ALA 222 N 1.42 0.46 -0.21 3.87 0.00 -1.21 0.75 119.26 124.35 1dm5 h ALA 222 Ca 0.38 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 1dm5 h ALA 222 Cb 0.23 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1dm5 h ALA 222 CO -0.20 0.03 -0.30 0.82 0.00 0.00 0.00 179.25 179.61 1dm5 h ILE 223 N 0.44 1.33 -0.82 0.00 2.04 -0.94 0.05 117.51 119.61 1dm5 h ILE 223 Ca 0.12 -1.50 0.11 0.00 1.00 0.00 0.00 64.86 64.59 1dm5 h ILE 223 Cb 0.13 1.79 -0.08 0.00 -0.74 0.00 0.00 36.82 37.92 1dm5 h ILE 223 CO -0.01 0.47 0.45 -0.08 0.00 0.00 0.00 178.15 178.97 1dm5 h GLU 224 N 0.27 0.71 -0.38 2.37 4.57 -0.33 0.91 114.58 122.69 1dm5 h GLU 224 Ca 0.02 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.12 1dm5 h GLU 224 Cb 0.88 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 29.29 1dm5 h GLU 224 CO 0.07 0.47 0.10 -0.97 -1.18 0.00 0.00 179.01 177.49 1dm5 h ASN 225 N 0.73 0.57 1.28 1.04 -1.24 -0.66 -3.31 115.58 113.99 1dm5 h ASN 225 Ca 0.41 -0.23 -0.10 0.00 0.71 0.00 0.00 56.30 57.09 1dm5 h ASN 225 Cb 0.44 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 39.32 1dm5 h ASN 225 CO -0.28 0.65 -0.75 -0.08 -1.29 0.00 0.00 177.43 175.68 1dm5 h GLU 226 N 0.46 0.00 0.00 6.67 4.57 0.22 -3.48 114.58 123.03 1dm5 h GLU 226 Ca 0.12 0.00 -0.62 0.00 -1.18 0.00 0.00 59.36 57.68 1dm5 h GLU 226 Cb 0.30 0.00 -0.13 0.00 -0.16 0.00 0.00 28.75 28.76 1dm5 h GLU 226 CO 0.00 0.35 -0.49 1.19 -1.18 0.00 0.00 179.01 178.87 1dm5 n PHE 227 N -3.07 0.56 -3.49 0.92 3.72 0.20 -5.08 117.46 111.22 1dm5 n PHE 227 Ca -0.01 -2.70 -0.12 0.00 -0.05 0.00 0.00 57.45 54.57 1dm5 n PHE 227 Cb 0.73 -0.14 -0.03 0.00 -0.94 0.00 0.00 39.48 39.10 1dm5 n PHE 227 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1dm5 s SER 228 N -3.74 -0.49 0.68 4.37 1.04 -1.26 -4.78 113.70 109.51 1dm5 s SER 228 Ca 0.13 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.59 1dm5 s SER 228 Cb 0.01 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.68 1dm5 s SER 228 CO 0.10 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 174.04 1dm5 n GLY 229 N -0.13 0.53 0.19 7.32 0.00 -1.26 -3.64 105.19 108.20 1dm5 n GLY 229 Ca -0.17 -0.79 -0.06 0.00 0.00 0.00 0.00 46.02 45.00 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 7.88 -0.46 -0.23 1.61 3.45 -2.00 -1.22 116.42 125.44 1dm5 h ASP 230 Ca 0.00 0.12 -0.07 0.00 0.43 0.00 0.00 57.03 57.51 1dm5 h ASP 230 Cb 0.00 0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 39.02 1dm5 h ASP 230 CO 0.00 -0.16 -0.06 -0.29 -1.57 0.00 0.00 179.24 177.15 1dm5 h ILE 231 N -0.06 1.23 0.21 0.35 6.09 -1.94 0.24 117.51 123.63 1dm5 h ILE 231 Ca 0.17 -0.96 -0.00 0.00 -1.37 0.00 0.00 64.86 62.70 1dm5 h ILE 231 Cb 0.33 1.03 -0.01 0.00 0.47 0.00 0.00 36.82 38.64 1dm5 h ILE 231 CO -0.39 0.32 -0.15 0.50 -3.07 0.00 0.00 178.15 175.36 1dm5 h LYS 232 N 0.55 -0.35 -0.87 2.19 3.64 -1.44 -1.79 116.57 118.50 1dm5 h LYS 232 Ca 0.11 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.53 1dm5 h LYS 232 Cb 0.45 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.30 1dm5 h LYS 232 CO 0.02 -0.23 0.58 -0.91 -2.27 0.00 0.00 179.45 176.64 1dm5 h ASN 233 N -0.36 0.98 -0.44 4.20 -0.26 -0.60 -0.67 115.58 118.43 1dm5 h ASN 233 Ca -0.02 -0.02 -0.10 0.00 -0.56 0.00 0.00 56.30 55.60 1dm5 h ASN 233 Cb 0.31 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.31 1dm5 h ASN 233 CO 0.01 0.70 -0.10 1.23 -1.06 0.00 0.00 177.43 178.20 1dm5 h GLY 234 N 1.15 0.98 1.18 2.83 0.00 -0.29 -0.61 103.07 108.30 1dm5 h GLY 234 Ca 0.33 -0.76 -0.19 0.00 0.00 0.00 0.00 47.33 46.70 1dm5 h GLY 234 CO -0.08 0.70 -0.60 1.41 0.00 0.00 0.00 176.54 177.97 1dm5 h LEU 235 N 0.81 0.96 -0.76 3.11 3.38 -0.70 -2.50 115.31 119.61 1dm5 h LEU 235 Ca 0.13 -0.54 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 1dm5 h LEU 235 Cb 0.63 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 1dm5 h LEU 235 CO 0.04 1.34 0.46 -0.07 0.09 0.00 0.00 178.44 180.29 1dm5 h LEU 236 N 0.63 0.91 -0.75 1.67 3.38 -1.10 -2.29 115.31 117.77 1dm5 h LEU 236 Ca -0.00 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.95 1dm5 h LEU 236 Cb 1.21 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.68 1dm5 h LEU 236 CO 0.13 0.71 0.46 0.00 0.09 0.00 0.00 178.44 179.83 1dm5 h ALA 237 N 1.24 1.00 -0.54 1.53 0.00 -0.95 -0.23 119.26 121.32 1dm5 h ALA 237 Ca 0.27 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 1dm5 h ALA 237 Cb -0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1dm5 h ALA 237 CO -0.05 0.22 0.05 0.82 0.00 0.00 0.00 179.25 180.29 1dm5 h ILE 238 N 0.88 1.24 0.09 0.00 2.04 -0.97 0.25 117.51 121.05 1dm5 h ILE 238 Ca 0.32 -0.98 -0.00 0.00 1.00 0.00 0.00 64.86 65.20 1dm5 h ILE 238 Cb 0.09 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 1dm5 h ILE 238 CO -0.14 0.35 -0.04 0.58 0.00 0.00 0.00 178.15 178.90 1dm5 h VAL 239 N 0.83 1.04 -0.87 1.67 2.07 -0.90 -1.22 116.25 118.86 1dm5 h VAL 239 Ca 0.17 -0.49 0.06 0.00 0.82 0.00 0.00 66.70 67.25 1dm5 h VAL 239 Cb 0.42 1.36 -0.06 0.00 -1.52 0.00 0.00 31.29 31.49 1dm5 h VAL 239 CO 0.01 0.12 0.55 0.11 0.02 0.00 0.00 177.57 178.38 1dm5 h LYS 240 N -0.34 0.98 -0.47 1.57 1.57 -0.94 0.34 116.57 119.28 1dm5 h LYS 240 Ca -0.01 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1dm5 h LYS 240 Cb 0.29 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1dm5 h LYS 240 CO 0.02 0.65 0.18 0.77 -0.57 0.00 0.00 179.45 180.50 1dm5 h SER 241 N 1.01 0.61 -0.35 0.86 0.02 -0.26 0.51 113.55 115.96 1dm5 h SER 241 Ca 0.37 -0.07 -0.13 0.00 -0.84 0.00 0.00 61.79 61.13 1dm5 h SER 241 Cb 0.14 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 1dm5 h SER 241 CO -0.16 0.56 -0.28 0.58 -1.14 0.00 0.00 176.83 176.39 1dm5 h VAL 242 N 0.67 1.29 0.02 2.27 2.07 0.06 -3.23 116.25 119.39 1dm5 h VAL 242 Ca 0.16 -1.44 -0.00 0.00 0.82 0.00 0.00 66.70 66.25 1dm5 h VAL 242 Cb 0.14 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1dm5 h VAL 242 CO -0.02 0.47 -0.01 -0.33 0.02 0.00 0.00 177.57 177.71 1dm5 h GLU 243 N 0.59 -0.02 -1.33 1.57 4.39 -0.44 -3.44 114.58 115.89 1dm5 h GLU 243 Ca 0.06 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.65 1dm5 h GLU 243 Cb 0.85 0.01 -0.24 0.00 -0.10 0.00 0.00 28.75 29.27 1dm5 h GLU 243 CO 0.07 0.70 -0.49 1.21 -1.16 0.00 0.00 179.01 179.34 1dm5 s ASN 244 N -5.92 -0.66 0.27 1.42 3.84 0.12 -5.02 114.94 108.99 1dm5 s ASN 244 Ca -0.17 -0.51 -0.04 0.00 0.21 0.00 0.00 52.86 52.35 1dm5 s ASN 244 Cb -0.01 1.55 0.35 0.00 -0.55 0.00 0.00 41.25 42.60 1dm5 s ASN 244 CO 0.64 -0.27 1.91 -0.09 -2.79 0.00 0.00 177.10 176.50 1dm5 h ARG 245 N 7.61 1.11 -0.59 0.43 2.43 -1.65 -1.92 114.38 121.80 1dm5 h ARG 245 Ca -0.00 -0.11 0.02 0.00 -0.81 0.00 0.00 59.98 59.08 1dm5 h ARG 245 Cb 1.15 -0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 30.44 1dm5 h ARG 245 CO 0.17 0.80 0.37 0.74 -1.51 0.00 0.00 179.97 180.53 1dm5 h PHE 246 N 1.12 0.68 0.00 2.20 0.04 -1.91 -1.16 116.94 117.91 1dm5 h PHE 246 Ca 0.29 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 61.04 1dm5 h PHE 246 Cb -0.00 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 37.92 1dm5 h PHE 246 CO 0.01 0.40 -0.18 0.00 -0.60 0.00 0.00 178.31 177.93 1dm5 h ALA 247 N 1.25 1.17 0.08 2.45 0.00 -1.74 -1.58 119.26 120.90 1dm5 h ALA 247 Ca 0.23 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1dm5 h ALA 247 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1dm5 h ALA 247 CO -0.09 0.22 -0.04 -0.92 0.00 0.00 0.00 179.25 178.42 1dm5 h TYR 248 N 0.00 -0.10 -0.55 0.00 5.03 -0.67 -2.00 116.97 118.67 1dm5 h TYR 248 Ca -0.00 -0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.35 1dm5 h TYR 248 Cb 0.52 0.03 -0.05 0.00 1.55 0.00 0.00 36.73 38.79 1dm5 h TYR 248 CO 0.00 0.31 0.29 0.74 -1.32 0.00 0.00 178.16 178.18 1dm5 h PHE 249 N -0.55 0.53 -0.55 -3.82 0.04 -1.32 -0.13 116.94 111.14 1dm5 h PHE 249 Ca -0.01 0.02 0.09 0.00 2.80 0.00 0.00 57.97 60.87 1dm5 h PHE 249 Cb 0.46 -0.16 -0.11 0.00 2.20 0.00 0.00 35.95 38.35 1dm5 h PHE 249 CO 0.07 0.26 -0.37 0.00 -0.60 0.00 0.00 178.31 177.66 1dm5 h ALA 250 N 1.29 -0.18 -0.66 2.45 0.00 -1.28 0.69 119.26 121.57 1dm5 h ALA 250 Ca 0.24 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 1dm5 h ALA 250 Cb 0.14 0.84 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1dm5 h ALA 250 CO -0.16 -0.75 0.30 1.49 0.00 0.00 0.00 179.25 180.14 1dm5 h GLU 251 N -0.21 0.95 -0.04 0.00 4.81 -0.82 0.21 114.58 119.48 1dm5 h GLU 251 Ca 0.20 -0.13 -0.25 0.00 -0.13 0.00 0.00 59.36 59.05 1dm5 h GLU 251 Cb 0.56 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 29.78 1dm5 h GLU 251 CO -0.66 0.74 -0.95 0.00 -0.73 0.00 0.00 179.01 177.41 1dm5 h ARG 252 N 0.94 0.68 0.15 1.92 2.47 0.33 -1.36 114.38 119.51 1dm5 h ARG 252 Ca 0.23 -0.67 -0.01 0.00 -1.26 0.00 0.00 59.98 58.27 1dm5 h ARG 252 Cb 0.12 0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.62 1dm5 h ARG 252 CO -0.03 1.27 -0.08 -0.07 0.56 0.00 0.00 179.97 181.63 1dm5 h LEU 253 N 0.41 -0.18 -0.63 3.04 3.38 0.63 0.15 115.31 122.11 1dm5 h LEU 253 Ca -0.10 0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.01 1dm5 h LEU 253 Cb 1.59 0.05 -0.10 0.00 0.09 0.00 0.00 40.66 42.29 1dm5 h LEU 253 CO 0.19 -0.13 0.09 -0.74 0.09 0.00 0.00 178.44 177.94 1dm5 h HIS 254 N -0.21 0.12 -0.31 1.13 2.76 -0.97 0.08 115.15 117.76 1dm5 h HIS 254 Ca -0.02 0.04 -0.14 0.00 -2.20 0.00 0.00 60.37 58.06 1dm5 h HIS 254 Cb 0.16 0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.15 1dm5 h HIS 254 CO -0.07 -0.09 -0.36 1.25 -1.30 0.00 0.00 177.93 177.35 1dm5 h HIS 255 N 0.21 0.83 -0.97 5.26 -0.00 -0.99 0.12 115.15 119.61 1dm5 h HIS 255 Ca 0.34 -0.23 0.02 0.00 -0.00 0.00 0.00 60.37 60.50 1dm5 h HIS 255 Cb 0.53 -0.18 -0.05 0.00 -0.00 0.00 0.00 27.41 27.71 1dm5 h HIS 255 CO -0.29 0.96 0.64 0.00 -0.00 0.00 0.00 177.93 179.24 1dm5 h ALA 256 N 1.01 1.26 -0.02 5.26 0.00 0.11 -2.11 119.26 124.78 1dm5 h ALA 256 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1dm5 h ALA 256 Cb 0.89 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1dm5 h ALA 256 CO 0.08 0.56 -0.01 -1.33 0.00 0.00 0.00 179.25 178.55 1dm5 n MET 257 N -4.44 1.72 0.00 0.00 2.81 -0.34 0.43 117.12 117.30 1dm5 n MET 257 Ca 0.12 -1.08 0.00 0.00 -1.81 0.00 0.00 57.70 54.93 1dm5 n MET 257 Cb 0.06 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.09 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 0.31 0.00 0.00 0.03 3.00 0.38 -4.37 118.16 117.51 1dm5 n LYS 258 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.49 1dm5 n LYS 258 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.42 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 0.00 0.00 0.48 3.14 0.00 -1.26 -4.74 105.19 102.81 1dm5 n GLY 259 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 2.34 0.00 0.99 7.99 -1.26 -4.83 117.00 122.23 1dm5 n LEU 260 Ca 0.00 -1.54 0.00 0.00 -0.01 0.00 0.00 56.01 54.46 1dm5 n LEU 260 Cb 0.00 -0.11 0.00 0.00 -0.11 0.00 0.00 43.42 43.20 1dm5 n LEU 260 CO 0.00 0.54 0.00 0.61 -1.51 0.00 0.00 177.39 177.03 1dm5 n GLY 261 N 0.46 -0.69 2.12 -0.72 0.00 -1.26 -5.14 105.19 99.96 1dm5 n GLY 261 Ca 0.08 0.25 -0.01 0.00 0.00 0.00 0.00 46.02 46.34 1dm5 n GLY 261 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1dm5 n THR 262 N 0.00-11.00 -2.67 2.61 -1.04 -1.07 -4.88 114.28 96.23 1dm5 n THR 262 Ca 0.00 2.44 -0.42 0.00 -2.04 0.00 0.00 64.05 64.04 1dm5 n THR 262 Cb 0.00 -5.54 -0.03 0.00 -1.82 0.00 0.00 70.33 62.94 1dm5 n THR 262 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1dm5 s SER 263 N -0.48 6.46 0.25 8.00 0.15 0.17 -4.84 113.70 123.41 1dm5 s SER 263 Ca -0.05 -1.44 -0.05 0.00 0.70 0.00 0.00 55.95 55.12 1dm5 s SER 263 Cb 0.00 -2.51 0.29 0.00 -1.71 0.00 0.00 66.02 62.08 1dm5 s SER 263 CO 0.12 -1.43 1.83 0.44 1.20 0.00 0.00 173.24 175.40 1dm5 h ASP 264 N 9.57 0.98 -0.53 5.45 3.32 -1.90 -0.02 116.42 133.29 1dm5 h ASP 264 Ca 0.09 -0.14 0.08 0.00 0.02 0.00 0.00 57.03 57.08 1dm5 h ASP 264 Cb 1.02 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 40.26 1dm5 h ASP 264 CO 1.31 0.86 0.17 0.11 -1.72 0.00 0.00 179.24 179.97 1dm5 h LYS 265 N 1.05 0.33 -0.02 3.56 1.57 -1.99 0.33 116.57 121.39 1dm5 h LYS 265 Ca 0.25 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1dm5 h LYS 265 Cb 0.18 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1dm5 h LYS 265 CO -0.02 0.22 0.00 1.15 -0.57 0.00 0.00 179.45 180.23 1dm5 h THR 266 N 0.34 1.21 -0.36 -0.16 2.02 -1.82 -1.48 112.91 112.66 1dm5 h THR 266 Ca 0.26 -0.64 0.06 0.00 0.77 0.00 0.00 66.41 66.86 1dm5 h THR 266 Cb 0.31 1.60 -0.05 0.00 -1.74 0.00 0.00 68.15 68.27 1dm5 h THR 266 CO -0.28 0.17 0.04 0.25 0.37 0.00 0.00 175.52 176.07 1dm5 h LEU 267 N -0.22 -0.05 -0.38 2.58 5.85 -0.43 -2.25 115.31 120.40 1dm5 h LEU 267 Ca 0.01 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1dm5 h LEU 267 Cb 0.27 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1dm5 h LEU 267 CO 0.00 0.01 0.18 0.40 -0.34 0.00 0.00 178.44 178.69 1dm5 h ILE 268 N 0.15 1.18 -0.82 4.05 2.04 -0.30 -2.69 117.51 121.12 1dm5 h ILE 268 Ca 0.17 -0.51 0.02 0.00 1.00 0.00 0.00 64.86 65.55 1dm5 h ILE 268 Cb 0.22 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 37.06 1dm5 h ILE 268 CO -0.25 0.19 0.53 -0.09 0.00 0.00 0.00 178.15 178.53 1dm5 h ARG 269 N 0.48 1.02 -0.01 2.37 2.43 -0.93 -1.29 114.38 118.46 1dm5 h ARG 269 Ca 0.13 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.15 1dm5 h ARG 269 Cb 0.14 -0.23 0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1dm5 h ARG 269 CO -0.02 0.68 -0.34 0.82 -1.51 0.00 0.00 179.97 179.60 1dm5 h ILE 270 N 1.05 1.51 -0.64 1.20 2.04 -1.32 0.77 117.51 122.13 1dm5 h ILE 270 Ca 0.32 -1.96 -0.02 0.00 1.00 0.00 0.00 64.86 64.19 1dm5 h ILE 270 Cb -0.04 2.69 -0.03 0.00 -0.74 0.00 0.00 36.82 38.70 1dm5 h ILE 270 CO -0.10 0.55 0.33 -0.07 0.00 0.00 0.00 178.15 178.86 1dm5 h LEU 271 N -0.38 0.82 -0.03 1.44 3.38 -1.46 0.45 115.31 119.53 1dm5 h LEU 271 Ca -0.04 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1dm5 h LEU 271 Cb 1.08 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 1dm5 h LEU 271 CO 0.07 0.70 -0.03 0.58 0.09 0.00 0.00 178.44 179.85 1dm5 h VAL 272 N 0.88 1.38 0.00 1.22 2.07 -1.28 0.13 116.25 120.64 1dm5 h VAL 272 Ca 0.22 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 1dm5 h VAL 272 Cb 0.08 2.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1dm5 h VAL 272 CO -0.03 0.32 -0.04 0.77 0.02 0.00 0.00 177.57 178.60 1dm5 h SER 273 N -0.38 0.00 0.00 0.57 4.64 -0.68 -2.53 113.55 115.17 1dm5 h SER 273 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1dm5 h SER 273 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1dm5 h SER 273 CO 0.01 0.04 -1.11 0.54 -0.87 0.00 0.00 176.83 175.44 1dm5 n ARG 274 N -4.28 0.56 -0.48 4.77 5.12 0.13 -4.58 116.66 117.91 1dm5 n ARG 274 Ca -0.03 -0.04 0.41 0.00 -1.93 0.00 0.00 57.85 56.27 1dm5 n ARG 274 Cb 0.13 -1.43 0.75 0.00 -1.16 0.00 0.00 32.46 30.74 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 0.07 -0.07 0.55 4.64 -0.27 0.12 113.55 118.59 1dm5 h SER 275 Ca 0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1dm5 h SER 275 Cb 0.55 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1dm5 h SER 275 CO 0.00 -0.02 0.00 -0.62 -0.87 0.00 0.00 176.83 175.32 1dm5 n GLU 276 N -4.21 1.85 0.00 4.77 1.02 -1.26 0.68 120.64 123.49 1dm5 n GLU 276 Ca 0.34 -2.55 0.00 0.00 -0.02 0.00 0.00 57.16 54.93 1dm5 n GLU 276 Cb 1.53 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 31.41 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 -1.09 0.00 -2.07 -3.67 5.41 0.40 -4.27 119.36 114.06 1dm5 n ILE 277 Ca 0.16 0.00 0.02 0.00 1.00 0.00 0.00 62.75 63.93 1dm5 n ILE 277 Cb 0.67 -0.67 0.02 0.00 -0.71 0.00 0.00 39.64 38.94 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 -2.22 0.39 0.11 4.38 5.68 -1.12 -1.73 116.55 122.04 1dm5 n ASP 278 Ca 0.00 -2.09 0.03 0.00 -0.50 0.00 0.00 54.79 52.23 1dm5 n ASP 278 Cb 0.00 -0.24 0.41 0.00 -1.14 0.00 0.00 41.12 40.15 1dm5 n ASP 278 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1dm5 h LEU 279 N 0.27 0.24 -0.44 -2.12 5.85 -1.37 -0.24 115.31 117.51 1dm5 h LEU 279 Ca -0.06 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.65 1dm5 h LEU 279 Cb 1.50 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.43 1dm5 h LEU 279 CO 0.02 0.35 0.23 0.00 -0.34 0.00 0.00 178.44 178.71 1dm5 h ALA 280 N 1.68 0.55 -0.44 1.25 0.00 -1.64 0.69 119.26 121.35 1dm5 h ALA 280 Ca 0.06 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1dm5 h ALA 280 Cb 0.29 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1dm5 h ALA 280 CO 0.01 -0.11 -0.19 -0.91 0.00 0.00 0.00 179.25 178.05 1dm5 h ASN 281 N 0.46 0.88 -0.51 0.00 4.21 -1.49 -0.16 115.58 118.97 1dm5 h ASN 281 Ca 0.19 -0.31 -0.01 0.00 1.21 0.00 0.00 56.30 57.37 1dm5 h ASN 281 Cb 0.07 -0.24 -0.03 0.00 -1.12 0.00 0.00 38.32 37.01 1dm5 h ASN 281 CO -0.12 1.05 0.29 0.40 -1.29 0.00 0.00 177.43 177.75 1dm5 h ILE 282 N 0.76 1.17 -0.55 2.81 2.04 -0.62 0.20 117.51 123.32 1dm5 h ILE 282 Ca 0.11 -0.43 -0.08 0.00 1.00 0.00 0.00 64.86 65.46 1dm5 h ILE 282 Cb 0.72 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 1dm5 h ILE 282 CO 0.06 0.19 0.05 0.11 0.00 0.00 0.00 178.15 178.55 1dm5 h LYS 283 N 0.75 0.94 0.28 2.37 1.57 0.13 -0.50 116.57 122.10 1dm5 h LYS 283 Ca 0.19 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1dm5 h LYS 283 Cb 0.03 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 1dm5 h LYS 283 CO -0.03 0.92 -0.17 0.93 -0.57 0.00 0.00 179.45 180.53 1dm5 h GLU 284 N 0.82 -0.42 -0.34 3.15 5.08 -0.25 -2.52 114.58 120.12 1dm5 h GLU 284 Ca 0.16 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1dm5 h GLU 284 Cb 0.47 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1dm5 h GLU 284 CO 0.02 -0.28 0.22 1.15 -1.00 0.00 0.00 179.01 179.12 1dm5 h THR 285 N -0.43 1.08 -0.77 1.13 2.02 -0.48 -2.07 112.91 113.39 1dm5 h THR 285 Ca -0.03 -0.15 0.10 0.00 0.77 0.00 0.00 66.41 67.10 1dm5 h THR 285 Cb 0.36 0.59 -0.07 0.00 -1.74 0.00 0.00 68.15 67.28 1dm5 h THR 285 CO 0.03 0.08 0.41 0.15 0.37 0.00 0.00 175.52 176.56 1dm5 h PHE 286 N 0.45 0.73 -0.18 3.16 3.04 -1.07 0.21 116.94 123.28 1dm5 h PHE 286 Ca 0.13 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.11 1dm5 h PHE 286 Cb -0.04 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.24 1dm5 h PHE 286 CO -0.06 0.27 0.11 0.37 -2.02 0.00 0.00 178.31 176.99 1dm5 h GLN 287 N 0.68 0.24 -0.26 1.11 5.75 -0.94 -0.69 115.11 121.00 1dm5 h GLN 287 Ca 0.38 -0.02 0.05 0.00 -0.15 0.00 0.00 58.65 58.91 1dm5 h GLN 287 Cb 0.40 -0.05 -0.05 0.00 1.07 0.00 0.00 27.48 28.85 1dm5 h GLN 287 CO -0.27 0.18 -0.06 0.00 -2.65 0.00 0.00 178.83 176.03 1dm5 h ALA 288 N 1.04 0.17 0.00 3.38 0.00 -0.69 1.44 119.26 124.60 1dm5 h ALA 288 Ca 0.06 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1dm5 h ALA 288 Cb 0.00 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1dm5 h ALA 288 CO -0.01 -0.47 -0.49 0.52 0.00 0.00 0.00 179.25 178.80 1dm5 h MET 289 N 0.00 0.00 0.00 0.00 2.86 -0.39 -3.35 114.93 114.06 1dm5 h MET 289 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1dm5 h MET 289 Cb 0.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.85 1dm5 h MET 289 CO -0.26 0.49 0.00 0.66 1.06 0.00 0.00 176.91 178.86 1dm5 n TYR 290 N -3.55 0.00 -0.99 -0.22 4.01 -0.29 -4.99 117.16 111.13 1dm5 n TYR 290 Ca -0.00 -0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 1dm5 n TYR 290 Cb 0.59 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.62 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 -0.05 0.12 3.16 2.72 0.00 0.49 -4.93 105.19 106.70 1dm5 n GLY 291 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.50 0.83 0.48 1.61 2.20 -1.25 -5.04 119.74 117.06 1dm5 s LYS 292 Ca 0.00 -0.89 -0.19 0.00 -0.36 0.00 0.00 55.97 54.53 1dm5 s LYS 292 Cb 0.00 -0.83 -0.09 0.00 -1.51 0.00 0.00 37.83 35.40 1dm5 s LYS 292 CO 0.00 0.19 0.99 -1.54 -0.36 0.00 0.00 175.35 174.62 1dm5 s SER 293 N -1.56 6.63 0.16 1.43 1.04 -1.26 -3.94 113.70 116.20 1dm5 s SER 293 Ca -0.01 1.71 -0.16 0.00 0.48 0.00 0.00 55.95 57.97 1dm5 s SER 293 Cb -0.09 -2.53 0.10 0.00 0.10 0.00 0.00 66.02 63.59 1dm5 s SER 293 CO 0.02 -0.58 1.69 0.25 0.98 0.00 0.00 173.24 175.60 1dm5 h LEU 294 N 1.43 -0.19 -0.27 2.42 5.85 -1.89 -1.69 115.31 120.97 1dm5 h LEU 294 Ca -0.48 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.37 1dm5 h LEU 294 Cb 1.19 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 42.33 1dm5 h LEU 294 CO 0.60 -0.06 -0.45 0.22 -0.34 0.00 0.00 178.44 178.42 1dm5 h TYR 295 N 0.09 -1.36 0.00 1.25 3.20 -1.83 0.19 116.97 118.50 1dm5 h TYR 295 Ca 0.19 0.06 -0.02 0.00 3.14 0.00 0.00 58.73 62.10 1dm5 h TYR 295 Cb 0.27 0.63 -0.00 0.00 1.54 0.00 0.00 36.73 39.17 1dm5 h TYR 295 CO -0.28 -0.41 -0.09 0.93 -1.64 0.00 0.00 178.16 176.68 1dm5 h GLU 296 N -0.36 0.00 0.17 1.82 4.39 -1.86 0.26 114.58 118.99 1dm5 h GLU 296 Ca 0.05 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 1dm5 h GLU 296 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1dm5 h GLU 296 CO -0.45 0.09 -0.08 0.74 -1.16 0.00 0.00 179.01 178.15 1dm5 h PHE 297 N 0.00 -0.21 -0.68 4.33 0.04 -0.06 -1.55 116.94 118.81 1dm5 h PHE 297 Ca -0.00 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.79 1dm5 h PHE 297 Cb 0.27 0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.45 1dm5 h PHE 297 CO 0.00 0.10 0.43 0.82 -0.60 0.00 0.00 178.31 179.06 1dm5 h ILE 298 N -0.53 1.12 -0.83 -0.55 2.04 -0.20 -1.99 117.51 116.56 1dm5 h ILE 298 Ca -0.02 -0.29 0.10 0.00 1.00 0.00 0.00 64.86 65.64 1dm5 h ILE 298 Cb 0.41 0.19 -0.08 0.00 -0.74 0.00 0.00 36.82 36.60 1dm5 h ILE 298 CO 0.04 0.16 0.48 0.00 0.00 0.00 0.00 178.15 178.82 1dm5 h ALA 299 N 1.28 1.20 0.00 1.87 0.00 -0.88 0.12 119.26 122.85 1dm5 h ALA 299 Ca 0.26 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1dm5 h ALA 299 Cb -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1dm5 h ALA 299 CO -0.09 0.09 -0.18 -0.25 0.00 0.00 0.00 179.25 178.82 1dm5 n ASP 300 N -4.75 0.53 -0.01 0.00 8.00 -0.59 -3.92 116.55 115.81 1dm5 n ASP 300 Ca 0.14 0.37 0.08 0.00 0.71 0.00 0.00 54.79 56.09 1dm5 n ASP 300 Cb 0.29 -0.40 -0.12 0.00 -0.02 0.00 0.00 41.12 40.87 1dm5 n ASP 300 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1dm5 n ASP 301 N -1.93 1.23 -4.64 -2.24 2.03 -0.50 -5.02 116.55 105.48 1dm5 n ASP 301 Ca 0.06 -0.14 -0.25 0.00 0.52 0.00 0.00 54.79 54.97 1dm5 n ASP 301 Cb 0.40 1.61 -0.09 0.00 -0.72 0.00 0.00 41.12 42.32 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 -3.74 0.57 0.73 0.00 1.04 -1.26 -4.78 113.70 106.26 1dm5 s SER 303 Ca 0.36 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.70 1dm5 s SER 303 Cb 0.02 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1dm5 s SER 303 CO 0.19 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.40 1dm5 n GLY 304 N -0.01 1.50 0.20 7.32 0.00 -1.26 -2.21 105.19 110.72 1dm5 n GLY 304 Ca -0.10 -0.62 0.06 0.00 0.00 0.00 0.00 46.02 45.36 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 9.25 0.00 0.47 1.61 5.19 -1.99 -2.30 116.42 128.64 1dm5 h ASP 305 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 1dm5 h ASP 305 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1dm5 h ASP 305 CO 0.00 0.34 -0.35 0.22 -3.12 0.00 0.00 179.24 176.32 1dm5 h TYR 306 N 0.00 -0.95 -0.82 4.55 3.20 -1.92 -0.43 116.97 120.60 1dm5 h TYR 306 Ca -0.00 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.88 1dm5 h TYR 306 Cb 0.82 0.35 -0.04 0.00 1.54 0.00 0.00 36.73 39.40 1dm5 h TYR 306 CO 0.00 -0.52 0.54 -0.22 -1.64 0.00 0.00 178.16 176.32 1dm5 h LYS 307 N -0.81 1.06 -0.11 1.82 3.64 -1.35 -1.70 116.57 119.11 1dm5 h LYS 307 Ca -0.05 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.29 1dm5 h LYS 307 Cb 0.69 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 1dm5 h LYS 307 CO 0.01 0.70 -0.05 0.22 -2.27 0.00 0.00 179.45 178.06 1dm5 h ASP 308 N 1.09 -0.15 -0.31 4.20 -0.00 -1.02 0.43 116.42 120.64 1dm5 h ASP 308 Ca 0.31 0.04 -0.00 0.00 -0.00 0.00 0.00 57.03 57.38 1dm5 h ASP 308 Cb -0.09 0.09 -0.02 0.00 -0.00 0.00 0.00 39.33 39.32 1dm5 h ASP 308 CO -0.07 -0.06 0.19 0.25 -0.00 0.00 0.00 179.24 179.54 1dm5 h LEU 309 N -0.03 0.38 -0.81 2.28 5.85 -0.68 -1.66 115.31 120.64 1dm5 h LEU 309 Ca 0.06 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1dm5 h LEU 309 Cb 0.12 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1dm5 h LEU 309 CO -0.13 0.32 0.38 -0.07 -0.34 0.00 0.00 178.44 178.60 1dm5 h LEU 310 N 0.40 1.07 -1.06 2.25 4.07 -0.80 -0.61 115.31 120.63 1dm5 h LEU 310 Ca 0.11 -0.14 -0.05 0.00 0.08 0.00 0.00 57.88 57.88 1dm5 h LEU 310 Cb 0.02 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.46 1dm5 h LEU 310 CO -0.02 0.91 0.11 -0.07 -1.08 0.00 0.00 178.44 178.28 1dm5 h LEU 311 N 1.15 0.72 -0.15 1.67 3.38 0.06 -2.17 115.31 119.98 1dm5 h LEU 311 Ca 0.28 -0.13 -0.23 0.00 0.09 0.00 0.00 57.88 57.88 1dm5 h LEU 311 Cb 0.13 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.70 1dm5 h LEU 311 CO -0.03 0.73 -0.90 1.56 0.09 0.00 0.00 178.44 179.88 1dm5 h GLN 312 N 0.75 0.62 -0.84 1.13 4.20 -0.68 0.85 115.11 121.13 1dm5 h GLN 312 Ca 0.16 -0.59 -0.03 0.00 0.06 0.00 0.00 58.65 58.25 1dm5 h GLN 312 Cb 0.30 0.15 -0.04 0.00 0.30 0.00 0.00 27.48 28.19 1dm5 h GLN 312 CO 0.00 1.20 0.42 0.82 -0.67 0.00 0.00 178.83 180.60 1dm5 h ILE 313 N 0.38 1.26 0.03 2.54 2.04 -1.01 -3.27 117.51 119.49 1dm5 h ILE 313 Ca -0.08 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.07 1dm5 h ILE 313 Cb 1.53 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1dm5 h ILE 313 CO 0.17 0.31 -0.01 0.74 0.00 0.00 0.00 178.15 179.35 1dm5 h THR 314 N 1.20 1.27 0.00 -0.27 2.02 -1.31 -3.41 112.91 112.41 1dm5 h THR 314 Ca 0.29 -1.77 0.00 0.00 0.77 0.00 0.00 66.41 65.70 1dm5 h THR 314 Cb 0.10 2.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.84 1dm5 h THR 314 CO -0.04 0.40 0.00 0.61 0.37 0.00 0.00 175.52 176.86 1dm5 n GLY 315 N 1.32 -0.45 0.00 2.16 0.00 0.28 -4.88 105.19 103.62 1dm5 n GLY 315 Ca -0.08 -1.70 0.06 0.00 0.00 0.00 0.00 46.02 44.31 1dm5 n GLY 315 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74