#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 5.31 0.20 1.55 -7.23 -1.26 -4.92 120.40 114.05 1dm5 s VAL 3 Ca 0.00 0.40 -0.13 0.00 -1.81 0.00 0.00 61.98 60.44 1dm5 s VAL 3 Cb 0.00 -3.59 0.01 0.00 0.56 0.00 0.00 36.38 33.36 1dm5 s VAL 3 CO 0.00 0.34 0.43 0.00 -0.31 0.00 0.00 175.10 175.56 1dm5 s GLN 4 N 0.93 1.35 0.64 4.82 -2.07 -1.14 -4.86 119.66 119.33 1dm5 s GLN 4 Ca 0.13 -1.08 0.07 0.00 -1.82 0.00 0.00 55.36 52.66 1dm5 s GLN 4 Cb -0.13 0.46 0.11 0.00 -1.09 0.00 0.00 33.01 32.36 1dm5 s GLN 4 CO 0.04 -0.55 0.88 0.20 -1.32 0.00 0.00 175.29 174.54 1dm5 s GLY 5 N -2.95 1.71 0.00 2.60 0.00 -1.22 -1.43 107.32 106.03 1dm5 s GLY 5 Ca 0.16 -2.12 0.16 0.00 0.00 0.00 0.00 44.72 42.92 1dm5 s GLY 5 CO 0.02 -1.59 0.92 -1.30 0.00 0.00 0.00 173.10 171.15 1dm5 n THR 6 N -2.46 0.00 -3.97 0.90 -2.24 -0.23 -4.52 114.28 101.77 1dm5 n THR 6 Ca 0.17 -0.42 -0.35 0.00 -2.27 0.00 0.00 64.05 61.18 1dm5 n THR 6 Cb 0.62 1.26 -0.13 0.00 -2.10 0.00 0.00 70.33 69.97 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 -1.60 3.62 0.02 2.28 1.01 -1.07 -4.90 120.40 119.76 1dm5 s VAL 7 Ca 0.16 -0.41 0.07 0.00 0.00 0.00 0.00 61.98 61.80 1dm5 s VAL 7 Cb 0.13 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 1dm5 s VAL 7 CO 0.30 0.42 -0.21 -0.75 0.00 0.00 0.00 175.10 174.85 1dm5 s LYS 8 N 1.34 2.06 0.26 2.72 2.20 -1.26 -4.78 119.74 122.28 1dm5 s LYS 8 Ca 0.04 -0.97 -0.31 0.00 -0.36 0.00 0.00 55.97 54.38 1dm5 s LYS 8 Cb -0.14 -2.13 -0.12 0.00 -1.51 0.00 0.00 37.83 33.92 1dm5 s LYS 8 CO -0.01 0.55 1.52 -0.35 -0.36 0.00 0.00 175.35 176.70 1dm5 n PRO 9 N 1.88 2.41 -1.74 4.03 -0.04 -1.26 -4.18 135.00 136.10 1dm5 n PRO 9 Ca -0.16 0.86 -0.42 0.00 -0.04 0.00 0.00 63.50 63.73 1dm5 n PRO 9 Cb 0.52 -2.59 -0.02 0.00 -0.04 0.00 0.00 33.50 31.37 1dm5 n PRO 9 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1dm5 n HIS 10 N 2.15 2.80 -2.63 0.54 -0.00 -1.24 -4.92 115.22 111.92 1dm5 n HIS 10 Ca 0.10 0.27 -0.32 0.00 0.46 0.00 0.00 57.72 58.23 1dm5 n HIS 10 Cb 0.34 -2.59 -0.05 0.00 -0.12 0.00 0.00 29.99 27.58 1dm5 n HIS 10 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1dm5 s ALA 11 N -0.01 3.11 -1.27 1.57 0.00 -1.26 -3.82 121.76 120.07 1dm5 s ALA 11 Ca 0.64 0.20 -0.02 0.00 0.00 0.00 0.00 51.96 52.78 1dm5 s ALA 11 Cb -0.51 -3.06 0.01 0.00 0.00 0.00 0.00 23.12 19.56 1dm5 s ALA 11 CO 0.49 -0.06 0.96 0.43 0.00 0.00 0.00 175.76 177.58 1dm5 n SER 12 N -1.17 -2.70 -4.72 0.00 7.64 -1.26 -4.90 113.62 106.51 1dm5 n SER 12 Ca 0.06 -0.66 -0.42 0.00 1.01 0.00 0.00 58.87 58.86 1dm5 n SER 12 Cb 0.54 -4.78 -0.03 0.00 -1.01 0.00 0.00 64.21 58.93 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 -3.42 3.15 -0.29 1.43 5.36 -1.25 -5.01 117.98 117.95 1dm5 s PHE 13 Ca 0.14 0.87 -0.03 0.00 -0.96 0.00 0.00 56.93 56.95 1dm5 s PHE 13 Cb -0.06 -3.78 0.10 0.00 -0.34 0.00 0.00 43.02 38.93 1dm5 s PHE 13 CO 0.76 -2.74 0.11 1.21 -1.46 0.00 0.00 175.22 173.10 1dm5 s ASN 14 N 0.96 3.62 0.38 6.13 3.84 -1.26 -5.02 114.94 123.57 1dm5 s ASN 14 Ca 0.65 -1.35 0.11 0.00 0.21 0.00 0.00 52.86 52.48 1dm5 s ASN 14 Cb -0.40 -0.52 0.74 0.00 -0.55 0.00 0.00 41.25 40.52 1dm5 s ASN 14 CO 0.33 -0.42 1.86 0.77 -2.79 0.00 0.00 177.10 176.85 1dm5 h SER 15 N 8.30 0.11 -0.39 -4.21 4.64 -1.94 -1.99 113.55 118.06 1dm5 h SER 15 Ca -0.18 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.08 1dm5 h SER 15 Cb 1.02 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.07 1dm5 h SER 15 CO 0.44 0.39 0.11 -0.09 -0.87 0.00 0.00 176.83 176.81 1dm5 h ARG 16 N 0.10 0.61 -0.35 4.77 2.43 -1.94 0.93 114.38 120.94 1dm5 h ARG 16 Ca 0.02 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.03 1dm5 h ARG 16 Cb 0.54 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1dm5 h ARG 16 CO 0.04 0.63 0.13 1.49 -1.51 0.00 0.00 179.97 180.75 1dm5 h GLU 17 N 0.49 0.52 -0.84 0.20 4.81 -1.95 -0.86 114.58 116.95 1dm5 h GLU 17 Ca 0.13 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1dm5 h GLU 17 Cb 0.27 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 1dm5 h GLU 17 CO -0.00 0.52 0.48 -0.44 -0.73 0.00 0.00 179.01 178.83 1dm5 h ASP 18 N 0.41 1.04 0.01 1.04 3.32 -1.12 0.85 116.42 121.96 1dm5 h ASP 18 Ca 0.11 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 1dm5 h ASP 18 Cb 0.19 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1dm5 h ASP 18 CO -0.01 0.82 -0.21 0.00 -1.72 0.00 0.00 179.24 178.12 1dm5 h ALA 19 N 1.26 1.27 -0.13 3.45 0.00 -0.55 0.13 119.26 124.69 1dm5 h ALA 19 Ca 0.30 -0.29 -0.22 0.00 0.00 0.00 0.00 54.91 54.70 1dm5 h ALA 19 Cb 0.00 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.69 1dm5 h ALA 19 CO -0.05 0.48 -0.78 0.93 0.00 0.00 0.00 179.25 179.83 1dm5 h GLU 20 N 0.32 0.69 -0.49 0.00 4.39 -0.33 -2.37 114.58 116.80 1dm5 h GLU 20 Ca 0.05 -0.58 0.07 0.00 0.34 0.00 0.00 59.36 59.25 1dm5 h GLU 20 Cb 0.56 0.12 -0.06 0.00 -0.10 0.00 0.00 28.75 29.27 1dm5 h GLU 20 CO 0.04 1.19 0.16 1.15 -1.16 0.00 0.00 179.01 180.39 1dm5 h THR 21 N 0.47 0.82 -0.66 1.13 2.02 0.14 0.23 112.91 117.06 1dm5 h THR 21 Ca -0.05 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 1dm5 h THR 21 Cb 1.40 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 68.24 1dm5 h THR 21 CO 0.15 0.06 0.29 -0.07 0.37 0.00 0.00 175.52 176.32 1dm5 h LEU 22 N 0.33 0.87 -0.93 2.58 3.38 -0.76 -2.08 115.31 118.69 1dm5 h LEU 22 Ca 0.23 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1dm5 h LEU 22 Cb 0.26 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1dm5 h LEU 22 CO -0.25 0.76 0.55 -0.09 0.09 0.00 0.00 178.44 179.50 1dm5 h ARG 23 N 0.94 1.27 -0.82 1.13 1.12 -0.72 -2.68 114.38 114.62 1dm5 h ARG 23 Ca 0.23 -0.12 0.00 0.00 -1.11 0.00 0.00 59.98 58.97 1dm5 h ARG 23 Cb 0.15 -0.26 -0.04 0.00 -0.01 0.00 0.00 29.97 29.81 1dm5 h ARG 23 CO -0.02 0.90 0.51 -0.22 -3.11 0.00 0.00 179.97 178.03 1dm5 h LYS 24 N 1.29 1.10 0.00 0.20 3.64 -0.31 -0.68 116.57 121.80 1dm5 h LYS 24 Ca 0.33 -0.09 -0.07 0.00 -1.27 0.00 0.00 60.65 59.56 1dm5 h LYS 24 Cb -0.03 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.54 1dm5 h LYS 24 CO -0.06 0.75 -0.33 0.00 -2.27 0.00 0.00 179.45 177.54 1dm5 h ALA 25 N 1.28 1.22 0.00 5.00 0.00 -1.13 -3.25 119.26 122.38 1dm5 h ALA 25 Ca 0.30 -0.30 -0.32 0.00 0.00 0.00 0.00 54.91 54.58 1dm5 h ALA 25 Cb -0.08 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 1dm5 h ALA 25 CO -0.06 0.42 -2.16 -1.33 0.00 0.00 0.00 179.25 176.12 1dm5 n MET 26 N -3.81 0.67 -1.49 0.00 2.81 -1.05 -1.18 117.12 113.07 1dm5 n MET 26 Ca -0.01 0.06 -0.49 0.00 -1.81 0.00 0.00 57.70 55.44 1dm5 n MET 26 Cb 0.41 -1.60 -0.06 0.00 -0.71 0.00 0.00 33.22 31.26 1dm5 n MET 26 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1dm5 n LYS 27 N -2.79 1.28 0.00 0.03 4.81 -0.29 -4.73 118.16 116.47 1dm5 n LYS 27 Ca -0.26 0.36 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 1dm5 n LYS 27 Cb 1.08 -2.59 0.00 0.00 0.02 0.00 0.00 35.03 33.54 1dm5 n LYS 27 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1dm5 n GLY 28 N 6.26 -1.73 3.67 3.14 0.00 -1.26 -4.91 105.19 110.34 1dm5 n GLY 28 Ca 0.38 -1.51 -0.45 0.00 0.00 0.00 0.00 46.02 44.44 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 0.00 0.57 -0.11 -0.61 5.41 -1.26 -4.75 119.36 118.60 1dm5 n ILE 29 Ca 0.00 -0.14 0.01 0.00 1.00 0.00 0.00 62.75 63.62 1dm5 n ILE 29 Cb 0.00 -1.48 -0.01 0.00 -0.71 0.00 0.00 39.64 37.44 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 2.64 -2.32 3.03 7.39 0.00 -1.26 -4.98 105.19 109.69 1dm5 n GLY 30 Ca 0.14 -1.44 -0.25 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.57 1.16 -1.32 2.61 2.01 -1.26 -4.70 115.64 111.56 1dm5 s THR 31 Ca 0.00 -0.50 -0.09 0.00 0.31 0.00 0.00 61.69 61.41 1dm5 s THR 31 Cb 0.00 -1.05 0.14 0.00 0.01 0.00 0.00 72.50 71.60 1dm5 s THR 31 CO 0.00 0.36 2.04 -0.67 -0.69 0.00 0.00 174.62 175.65 1dm5 n ASP 32 N 3.73 5.51 -0.33 3.53 4.64 -0.33 -4.79 116.55 128.51 1dm5 n ASP 32 Ca -0.22 -3.06 0.12 0.00 -1.38 0.00 0.00 54.79 50.24 1dm5 n ASP 32 Cb 0.52 -1.48 0.33 0.00 -1.04 0.00 0.00 41.12 39.45 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 5.57 0.75 -0.99 -0.67 3.07 -1.97 0.41 114.58 120.76 1dm5 h GLU 33 Ca 0.48 -0.05 0.16 0.00 -0.50 0.00 0.00 59.36 59.45 1dm5 h GLU 33 Cb 0.57 -0.17 -0.10 0.00 -0.84 0.00 0.00 28.75 28.21 1dm5 h GLU 33 CO 1.65 0.50 0.60 -0.22 -1.40 0.00 0.00 179.01 180.13 1dm5 h LYS 34 N 0.78 0.81 -0.23 2.33 3.11 -1.99 0.85 116.57 122.23 1dm5 h LYS 34 Ca 0.53 -0.05 -0.12 0.00 -2.81 0.00 0.00 60.65 58.19 1dm5 h LYS 34 Cb 0.80 -0.18 -0.00 0.00 -1.00 0.00 0.00 32.23 31.84 1dm5 h LYS 34 CO -0.30 0.54 -0.34 1.03 -2.81 0.00 0.00 179.45 177.57 1dm5 h SER 35 N 0.84 0.69 -0.05 4.20 0.87 -0.62 -1.75 113.55 117.73 1dm5 h SER 35 Ca 0.54 -0.52 0.02 0.00 -1.23 0.00 0.00 61.79 60.59 1dm5 h SER 35 Cb 0.71 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.46 1dm5 h SER 35 CO -0.34 1.08 -0.04 0.40 -0.53 0.00 0.00 176.83 177.40 1dm5 h ILE 36 N 0.33 0.87 -0.98 2.23 2.04 0.05 -2.20 117.51 119.85 1dm5 h ILE 36 Ca 0.02 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.91 1dm5 h ILE 36 Cb 0.93 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 37.82 1dm5 h ILE 36 CO 0.08 0.00 0.64 0.74 0.00 0.00 0.00 178.15 179.61 1dm5 h THR 37 N -0.06 1.19 0.20 -0.27 2.02 0.63 -1.98 112.91 114.65 1dm5 h THR 37 Ca 0.04 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.78 1dm5 h THR 37 Cb 0.11 -0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.32 1dm5 h THR 37 CO -0.08 0.23 -0.19 -0.74 0.37 0.00 0.00 175.52 175.11 1dm5 h HIS 38 N 1.27 -0.50 -0.13 3.16 -0.00 -0.95 -1.66 115.15 116.34 1dm5 h HIS 38 Ca 0.38 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.74 1dm5 h HIS 38 Cb -0.04 0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.56 1dm5 h HIS 38 CO -0.00 -0.29 0.04 0.82 -0.00 0.00 0.00 177.93 178.49 1dm5 h ILE 39 N -0.42 1.19 -0.48 6.26 1.08 -1.04 -2.08 117.51 122.02 1dm5 h ILE 39 Ca -0.00 -0.59 -0.11 0.00 -0.39 0.00 0.00 64.86 63.77 1dm5 h ILE 39 Cb 0.39 1.33 -0.01 0.00 -3.07 0.00 0.00 36.82 35.46 1dm5 h ILE 39 CO -0.04 0.18 -0.15 -0.07 -0.69 0.00 0.00 178.15 177.38 1dm5 h LEU 40 N 0.02 0.96 -0.89 1.44 3.38 -1.33 -2.46 115.31 116.42 1dm5 h LEU 40 Ca 0.04 -0.37 -0.12 0.00 0.09 0.00 0.00 57.88 57.52 1dm5 h LEU 40 Cb 0.24 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1dm5 h LEU 40 CO -0.00 1.11 -0.53 0.00 0.09 0.00 0.00 178.44 179.11 1dm5 h ALA 41 N 0.88 1.07 -0.02 1.53 0.00 -1.36 -3.29 119.26 118.08 1dm5 h ALA 41 Ca 0.12 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1dm5 h ALA 41 Cb 0.71 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1dm5 h ALA 41 CO 0.05 0.67 -0.38 0.25 0.00 0.00 0.00 179.25 179.84 1dm5 n THR 42 N -3.91 0.00 -4.14 0.00 -2.24 -0.78 -4.73 114.28 98.47 1dm5 n THR 42 Ca -0.02 -0.31 -0.32 0.00 -2.27 0.00 0.00 64.05 61.14 1dm5 n THR 42 Cb 0.55 1.31 -0.08 0.00 -2.10 0.00 0.00 70.33 70.01 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 -2.36 2.83 0.81 -0.78 3.00 -0.94 -3.65 118.95 117.86 1dm5 s ARG 43 Ca 0.20 -0.65 -0.11 0.00 0.00 0.00 0.00 55.73 55.17 1dm5 s ARG 43 Cb 0.18 -2.70 0.08 0.00 0.00 0.00 0.00 34.95 32.51 1dm5 s ARG 43 CO 0.51 0.60 1.09 -1.54 0.00 0.00 0.00 175.30 175.96 1dm5 s SER 44 N -1.99 4.27 0.16 0.23 1.04 -1.26 -4.78 113.70 111.37 1dm5 s SER 44 Ca 0.24 1.55 -0.20 0.00 0.48 0.00 0.00 55.95 58.03 1dm5 s SER 44 Cb -0.12 -2.28 0.07 0.00 0.10 0.00 0.00 66.02 63.79 1dm5 s SER 44 CO 0.16 -2.14 1.65 -1.13 0.98 0.00 0.00 173.24 172.75 1dm5 h ASN 45 N -1.21 -0.59 -0.94 7.02 -0.73 -1.92 0.74 115.58 117.95 1dm5 h ASN 45 Ca -0.46 0.13 0.11 0.00 1.87 0.00 0.00 56.30 57.95 1dm5 h ASN 45 Cb 1.26 0.31 -0.07 0.00 0.27 0.00 0.00 38.32 40.09 1dm5 h ASN 45 CO 0.55 -0.21 0.60 0.00 -0.37 0.00 0.00 177.43 178.00 1dm5 h ALA 46 N 1.10 1.61 -0.37 1.57 0.00 -1.96 0.45 119.26 121.65 1dm5 h ALA 46 Ca 0.17 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 1dm5 h ALA 46 Cb 0.39 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1dm5 h ALA 46 CO -0.41 0.18 -0.36 1.96 0.00 0.00 0.00 179.25 180.62 1dm5 h GLN 47 N 0.92 0.90 -0.74 0.00 4.20 -1.70 -2.65 115.11 116.03 1dm5 h GLN 47 Ca 0.45 -0.47 0.10 0.00 0.06 0.00 0.00 58.65 58.80 1dm5 h GLN 47 Cb 0.48 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.22 1dm5 h GLN 47 CO -0.22 1.12 0.49 0.00 -0.67 0.00 0.00 178.83 179.55 1dm5 h ARG 48 N 0.71 0.60 -0.13 1.46 3.08 0.45 0.11 114.38 120.66 1dm5 h ARG 48 Ca 0.06 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 59.97 1dm5 h ARG 48 Cb 0.95 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 1dm5 h ARG 48 CO 0.09 0.40 -0.39 1.96 -1.07 0.00 0.00 179.97 180.96 1dm5 h GLN 49 N 0.62 0.28 0.01 0.04 1.08 -0.62 -0.54 115.11 115.98 1dm5 h GLN 49 Ca 0.34 -0.13 -0.23 0.00 -1.45 0.00 0.00 58.65 57.18 1dm5 h GLN 49 Cb 0.51 -0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.94 1dm5 h GLN 49 CO -0.12 0.63 -0.97 0.37 -0.95 0.00 0.00 178.83 177.79 1dm5 h GLN 50 N 0.24 0.44 -0.75 1.46 4.15 -0.87 -2.37 115.11 117.42 1dm5 h GLN 50 Ca 0.02 -0.49 0.01 0.00 0.77 0.00 0.00 58.65 58.97 1dm5 h GLN 50 Cb 0.80 0.14 -0.04 0.00 0.21 0.00 0.00 27.48 28.59 1dm5 h GLN 50 CO 0.06 1.14 0.49 0.82 -1.93 0.00 0.00 178.83 179.42 1dm5 h ILE 51 N 0.24 1.19 -0.48 2.39 2.04 -0.61 -1.01 117.51 121.27 1dm5 h ILE 51 Ca -0.09 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.43 1dm5 h ILE 51 Cb 1.61 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 1dm5 h ILE 51 CO 0.17 0.18 0.31 0.11 0.00 0.00 0.00 178.15 178.93 1dm5 h LYS 52 N 1.01 0.63 -0.20 2.37 1.57 -1.01 -0.57 116.57 120.37 1dm5 h LYS 52 Ca 0.28 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 59.03 1dm5 h LYS 52 Cb -0.11 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.04 1dm5 h LYS 52 CO -0.06 0.42 0.08 1.15 -0.57 0.00 0.00 179.45 180.48 1dm5 h THR 53 N 0.64 0.97 -0.32 -0.16 2.02 -0.97 -2.15 112.91 112.95 1dm5 h THR 53 Ca 0.17 -0.06 -0.06 0.00 0.77 0.00 0.00 66.41 67.23 1dm5 h THR 53 Cb -0.06 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1dm5 h THR 53 CO -0.04 0.03 -0.05 0.44 0.37 0.00 0.00 175.52 176.28 1dm5 h ASP 54 N 0.19 0.49 -0.27 4.18 3.45 -0.79 -1.78 116.42 121.89 1dm5 h ASP 54 Ca 0.08 -0.11 -0.03 0.00 0.43 0.00 0.00 57.03 57.41 1dm5 h ASP 54 Cb 0.04 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 38.67 1dm5 h ASP 54 CO -0.07 0.60 0.06 0.22 -1.57 0.00 0.00 179.24 178.47 1dm5 h TYR 55 N 0.49 0.46 -0.43 4.55 5.03 -0.91 0.74 116.97 126.91 1dm5 h TYR 55 Ca 0.10 -0.06 -0.06 0.00 2.58 0.00 0.00 58.73 61.29 1dm5 h TYR 55 Cb 0.39 -0.13 -0.02 0.00 1.55 0.00 0.00 36.73 38.53 1dm5 h TYR 55 CO 0.01 0.53 0.03 1.15 -1.32 0.00 0.00 178.16 178.56 1dm5 h THR 56 N 0.27 1.25 -0.64 1.81 2.02 -1.01 0.06 112.91 116.66 1dm5 h THR 56 Ca 0.08 -0.97 -0.07 0.00 0.77 0.00 0.00 66.41 66.23 1dm5 h THR 56 Cb 0.30 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 1dm5 h THR 56 CO 0.00 0.33 0.14 0.74 0.37 0.00 0.00 175.52 177.11 1dm5 h THR 57 N 0.59 1.25 -0.41 3.16 2.02 -1.30 0.56 112.91 118.78 1dm5 h THR 57 Ca 0.13 -0.94 -0.06 0.00 0.77 0.00 0.00 66.41 66.30 1dm5 h THR 57 Cb 0.44 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 1dm5 h THR 57 CO 0.02 0.36 0.02 -0.07 0.37 0.00 0.00 175.52 176.22 1dm5 h LEU 58 N 0.97 0.68 -0.26 2.58 3.38 -0.67 -3.39 115.31 118.61 1dm5 h LEU 58 Ca 0.20 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1dm5 h LEU 58 Cb 0.37 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1dm5 h LEU 58 CO 0.00 0.81 0.00 0.49 0.09 0.00 0.00 178.44 179.83 1dm5 n PHE 59 N -4.46 0.00 -0.98 1.13 3.72 -0.01 -5.01 117.46 111.86 1dm5 n PHE 59 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1dm5 n PHE 59 Cb 0.27 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 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 0.59 0.50 3.19 1.37 0.00 0.20 -5.00 105.19 106.04 1dm5 n GLY 60 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.35 1.53 0.22 1.61 1.02 -1.26 -5.06 119.74 117.45 1dm5 s LYS 61 Ca 0.00 -0.67 -0.30 0.00 0.02 0.00 0.00 55.97 55.02 1dm5 s LYS 61 Cb 0.00 -1.48 -0.08 0.00 -0.52 0.00 0.00 37.83 35.75 1dm5 s LYS 61 CO 0.00 0.40 1.09 -1.01 -0.92 0.00 0.00 175.35 174.91 1dm5 s HIS 62 N -0.44 3.61 0.28 3.18 3.76 -1.26 -3.93 115.29 120.50 1dm5 s HIS 62 Ca 0.07 1.65 0.01 0.00 -0.15 0.00 0.00 55.06 56.64 1dm5 s HIS 62 Cb -0.07 -3.26 0.58 0.00 1.11 0.00 0.00 32.58 30.94 1dm5 s HIS 62 CO -0.01 -0.52 1.78 1.25 -0.85 0.00 0.00 174.74 176.39 1dm5 h LEU 63 N 4.62 0.68 -0.40 0.89 6.46 -1.91 -1.58 115.31 124.08 1dm5 h LEU 63 Ca -0.45 0.08 0.03 0.00 -0.12 0.00 0.00 57.88 57.42 1dm5 h LEU 63 Cb 1.21 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 41.07 1dm5 h LEU 63 CO 0.70 0.30 0.21 -0.33 -0.62 0.00 0.00 178.44 178.70 1dm5 h GLU 64 N 0.75 0.41 -0.73 1.25 3.07 -1.97 -1.50 114.58 115.85 1dm5 h GLU 64 Ca 0.49 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 59.32 1dm5 h GLU 64 Cb 0.66 -0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 28.44 1dm5 h GLU 64 CO -0.34 0.27 0.40 -0.44 -1.40 0.00 0.00 179.01 177.51 1dm5 h ASP 65 N 0.42 0.91 -0.80 1.42 3.32 -1.69 0.14 116.42 120.14 1dm5 h ASP 65 Ca 0.17 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1dm5 h ASP 65 Cb 0.07 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 1dm5 h ASP 65 CO -0.11 0.73 0.41 -0.33 -1.72 0.00 0.00 179.24 178.22 1dm5 h GLU 66 N 1.02 1.12 -0.07 3.56 4.39 -0.94 -2.12 114.58 121.55 1dm5 h GLU 66 Ca 0.26 -0.15 -0.14 0.00 0.34 0.00 0.00 59.36 59.68 1dm5 h GLU 66 Cb 0.02 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.45 1dm5 h GLU 66 CO -0.04 0.85 -0.57 -0.07 -1.16 0.00 0.00 179.01 178.01 1dm5 h LEU 67 N 1.11 0.25 -1.46 1.33 3.38 -0.45 0.85 115.31 120.32 1dm5 h LEU 67 Ca 0.28 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1dm5 h LEU 67 Cb 0.07 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1dm5 h LEU 67 CO -0.04 0.77 0.21 0.11 0.09 0.00 0.00 178.44 179.58 1dm5 h LYS 68 N 0.17 0.57 0.05 1.13 1.57 -0.19 -0.63 116.57 119.25 1dm5 h LYS 68 Ca -0.00 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 1dm5 h LYS 68 Cb 1.05 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 33.26 1dm5 h LYS 68 CO 0.09 0.44 -0.43 1.03 -0.57 0.00 0.00 179.45 180.01 1dm5 h SER 69 N 0.58 0.29 1.01 0.86 0.87 -1.05 -3.40 113.55 112.71 1dm5 h SER 69 Ca 0.15 -0.90 -0.11 0.00 -1.23 0.00 0.00 61.79 59.70 1dm5 h SER 69 Cb 0.04 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 61.89 1dm5 h SER 69 CO -0.02 1.16 -1.05 -0.33 -0.53 0.00 0.00 176.83 176.06 1dm5 h GLU 70 N -0.54 0.00 -6.15 2.24 4.39 -0.57 -3.46 114.58 110.48 1dm5 h GLU 70 Ca -0.07 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.12 1dm5 h GLU 70 Cb 1.27 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.87 1dm5 h GLU 70 CO 0.08 0.28 -0.47 -0.51 -1.16 0.00 0.00 179.01 177.23 1dm5 s LEU 71 N -5.90 3.45 0.10 1.33 1.43 -0.26 -4.97 118.68 113.86 1dm5 s LEU 71 Ca -0.00 -0.63 -0.09 0.00 -1.03 0.00 0.00 54.13 52.38 1dm5 s LEU 71 Cb 0.08 -2.01 -0.00 0.00 0.03 0.00 0.00 46.19 44.29 1dm5 s LEU 71 CO 0.78 -0.37 0.20 -0.94 0.23 0.00 0.00 176.35 176.26 1dm5 s SER 72 N -3.95 0.11 0.88 2.29 1.04 -1.26 -4.77 113.70 108.03 1dm5 s SER 72 Ca 0.40 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1dm5 s SER 72 Cb -0.04 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.43 1dm5 s SER 72 CO 0.25 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.32 1dm5 n GLY 73 N -0.09 1.11 0.30 7.32 0.00 -1.26 -2.54 105.19 110.03 1dm5 n GLY 73 Ca -0.13 -0.63 0.01 0.00 0.00 0.00 0.00 46.02 45.26 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 9.01 0.59 -0.12 1.61 2.35 -1.99 -0.88 115.58 126.16 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 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 1dm5 h ASN 74 CO 0.00 0.55 0.08 0.22 -1.65 0.00 0.00 177.43 176.63 1dm5 h TYR 75 N 0.65 0.15 0.35 1.19 -0.00 -1.92 0.16 116.97 117.54 1dm5 h TYR 75 Ca 0.16 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 58.89 1dm5 h TYR 75 Cb 0.16 -0.05 -0.03 0.00 -0.00 0.00 0.00 36.73 36.80 1dm5 h TYR 75 CO 0.01 0.09 -0.52 1.49 -0.00 0.00 0.00 178.16 179.23 1dm5 h GLU 76 N 0.16 -0.87 -0.89 1.82 4.81 -1.06 -0.13 114.58 118.42 1dm5 h GLU 76 Ca 0.04 0.06 0.10 0.00 -0.13 0.00 0.00 59.36 59.43 1dm5 h GLU 76 Cb -0.02 0.20 -0.07 0.00 0.63 0.00 0.00 28.75 29.49 1dm5 h GLU 76 CO -0.01 -0.58 0.54 0.00 -0.73 0.00 0.00 179.01 178.22 1dm5 h ALA 77 N -0.73 1.29 0.00 2.92 0.00 -1.00 -0.56 119.26 121.18 1dm5 h ALA 77 Ca -0.04 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1dm5 h ALA 77 Cb 0.83 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1dm5 h ALA 77 CO -0.16 0.18 -0.59 0.00 0.00 0.00 0.00 179.25 178.69 1dm5 h ALA 78 N 1.47 0.99 -0.25 0.00 0.00 -0.32 0.79 119.26 121.95 1dm5 h ALA 78 Ca 0.43 -0.53 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1dm5 h ALA 78 Cb 0.36 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1dm5 h ALA 78 CO -0.24 0.73 -0.15 0.00 0.00 0.00 0.00 179.25 179.59 1dm5 h ALA 79 N 1.41 0.35 -0.30 0.00 0.00 0.14 -2.88 119.26 117.99 1dm5 h ALA 79 Ca -0.01 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 1dm5 h ALA 79 Cb 1.06 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1dm5 h ALA 79 CO 0.08 0.24 -0.23 -0.07 0.00 0.00 0.00 179.25 179.27 1dm5 h LEU 80 N 0.26 0.57 -0.59 0.00 3.38 -0.79 -2.41 115.31 115.74 1dm5 h LEU 80 Ca 0.05 -0.19 0.08 0.00 0.09 0.00 0.00 57.88 57.91 1dm5 h LEU 80 Cb 0.67 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.20 1dm5 h LEU 80 CO 0.04 0.80 0.25 0.00 0.09 0.00 0.00 178.44 179.62 1dm5 h ALA 81 N 1.25 0.76 0.00 1.53 0.00 -0.82 -1.84 119.26 120.14 1dm5 h ALA 81 Ca 0.07 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1dm5 h ALA 81 Cb 0.67 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1dm5 h ALA 81 CO 0.05 -0.14 -0.22 -0.07 0.00 0.00 0.00 179.25 178.87 1dm5 h LEU 82 N 0.47 0.00 -0.45 0.00 3.38 -1.21 -2.25 115.31 115.25 1dm5 h LEU 82 Ca 0.28 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.18 1dm5 h LEU 82 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1dm5 h LEU 82 CO -0.25 0.22 -0.35 -0.07 0.09 0.00 0.00 178.44 178.09 1dm5 h LEU 83 N 0.00 0.00 -9.94 1.67 3.38 -1.07 -3.46 115.31 105.89 1dm5 h LEU 83 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1dm5 h LEU 83 Cb 0.51 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.34 1dm5 h LEU 83 CO 0.03 0.35 0.65 -0.13 0.09 0.00 0.00 178.44 179.43 1dm5 s ARG 84 N -3.27 4.00 0.57 1.13 1.81 -0.85 -4.86 118.95 117.49 1dm5 s ARG 84 Ca 0.03 2.26 -0.19 0.00 -1.72 0.00 0.00 55.73 56.11 1dm5 s ARG 84 Cb 0.08 -2.82 -0.05 0.00 -0.45 0.00 0.00 34.95 31.72 1dm5 s ARG 84 CO 0.70 -0.50 1.16 0.15 -0.68 0.00 0.00 175.30 176.12 1dm5 s LYS 85 N -2.18 3.16 0.16 3.54 1.02 -1.26 -4.75 119.74 119.42 1dm5 s LYS 85 Ca 0.56 1.68 -0.23 0.00 0.02 0.00 0.00 55.97 58.00 1dm5 s LYS 85 Cb -0.40 -1.97 0.05 0.00 -0.52 0.00 0.00 37.83 34.99 1dm5 s LYS 85 CO 0.53 -1.02 1.61 -1.35 -0.92 0.00 0.00 175.35 174.19 1dm5 h PRO 86 N 0.99 -0.25 -0.71 -1.68 0.11 -1.94 0.35 132.00 128.87 1dm5 h PRO 86 Ca -0.50 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1dm5 h PRO 86 Cb 1.28 0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.41 1dm5 h PRO 86 CO 0.56 -0.17 0.42 -0.44 -0.21 0.00 0.00 178.00 178.16 1dm5 h ASP 87 N -0.26 0.85 -0.86 -2.05 3.32 -1.94 -2.04 116.42 113.44 1dm5 h ASP 87 Ca 0.16 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1dm5 h ASP 87 Cb 0.52 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.81 1dm5 h ASP 87 CO -0.48 0.67 0.45 -0.33 -1.72 0.00 0.00 179.24 177.83 1dm5 h GLU 88 N 0.96 1.21 -0.40 3.56 5.08 -1.78 -0.95 114.58 122.26 1dm5 h GLU 88 Ca 0.25 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1dm5 h GLU 88 Cb -0.02 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 28.98 1dm5 h GLU 88 CO -0.05 0.90 0.23 0.35 -1.00 0.00 0.00 179.01 179.45 1dm5 h PHE 89 N 1.21 0.53 -0.53 4.33 3.57 -0.27 -0.67 116.94 125.11 1dm5 h PHE 89 Ca 0.30 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.67 1dm5 h PHE 89 Cb 0.06 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 1dm5 h PHE 89 CO 0.01 0.39 -0.15 -0.07 -2.23 0.00 0.00 178.31 176.27 1dm5 h LEU 90 N 0.52 1.04 -0.21 0.59 3.38 -1.23 0.15 115.31 119.55 1dm5 h LEU 90 Ca 0.14 -0.37 0.02 0.00 0.09 0.00 0.00 57.88 57.76 1dm5 h LEU 90 Cb 0.02 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1dm5 h LEU 90 CO -0.03 1.17 0.09 0.00 0.09 0.00 0.00 178.44 179.76 1dm5 h ALA 91 N 0.91 0.24 -0.27 1.53 0.00 -0.96 -1.13 119.26 119.58 1dm5 h ALA 91 Ca 0.13 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1dm5 h ALA 91 Cb 0.72 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1dm5 h ALA 91 CO 0.06 -0.33 -0.10 1.49 0.00 0.00 0.00 179.25 180.37 1dm5 h GLU 92 N 0.20 0.45 -0.64 0.00 4.81 -1.03 -0.72 114.58 117.64 1dm5 h GLU 92 Ca 0.09 -0.12 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 1dm5 h GLU 92 Cb 0.04 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 1dm5 h GLU 92 CO -0.07 0.56 0.15 1.96 -0.73 0.00 0.00 179.01 180.87 1dm5 h GLN 93 N 0.42 1.01 -0.27 1.92 1.08 -0.41 0.08 115.11 118.94 1dm5 h GLN 93 Ca 0.08 -0.23 -0.13 0.00 -1.45 0.00 0.00 58.65 56.93 1dm5 h GLN 93 Cb 0.44 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 27.72 1dm5 h GLN 93 CO 0.02 0.90 -0.32 -0.07 -0.95 0.00 0.00 178.83 178.41 1dm5 h LEU 94 N 0.96 0.76 -0.31 1.46 3.38 -0.66 -1.29 115.31 119.60 1dm5 h LEU 94 Ca 0.20 -0.49 0.07 0.00 0.09 0.00 0.00 57.88 57.75 1dm5 h LEU 94 Cb 0.35 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 1dm5 h LEU 94 CO 0.00 1.10 -0.11 -0.74 0.09 0.00 0.00 178.44 178.77 1dm5 h HIS 95 N 0.44 -0.27 -0.33 1.13 2.76 -0.95 -1.53 115.15 116.40 1dm5 h HIS 95 Ca 0.04 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.17 1dm5 h HIS 95 Cb 0.90 0.17 -0.02 0.00 1.55 0.00 0.00 27.41 30.01 1dm5 h HIS 95 CO 0.08 -0.18 -0.07 0.00 -1.30 0.00 0.00 177.93 176.45 1dm5 h ALA 96 N 1.23 1.27 0.00 5.26 0.00 -0.88 -1.33 119.26 124.81 1dm5 h ALA 96 Ca 0.16 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1dm5 h ALA 96 Cb 0.29 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1dm5 h ALA 96 CO -0.35 0.48 -0.15 0.00 0.00 0.00 0.00 179.25 179.23 1dm5 h ALA 97 N 1.43 1.23 0.02 0.00 0.00 -0.49 -2.92 119.26 118.52 1dm5 h ALA 97 Ca 0.10 -0.13 -0.39 0.00 0.00 0.00 0.00 54.91 54.48 1dm5 h ALA 97 Cb 0.44 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 1dm5 h ALA 97 CO 0.02 0.18 -2.38 -1.33 0.00 0.00 0.00 179.25 175.74 1dm5 n MET 98 N -3.59 0.66 -0.12 0.00 2.81 -0.65 -0.72 117.12 115.51 1dm5 n MET 98 Ca -0.01 0.19 0.07 0.00 -1.81 0.00 0.00 57.70 56.13 1dm5 n MET 98 Cb 0.28 -1.55 0.13 0.00 -0.71 0.00 0.00 33.22 31.37 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 -3.40 1.96 0.00 0.03 4.76 -0.54 -4.74 118.16 116.23 1dm5 n LYS 99 Ca -0.44 -1.79 0.00 0.00 -2.87 0.00 0.00 58.31 53.21 1dm5 n LYS 99 Cb 0.99 -1.30 0.00 0.00 -1.84 0.00 0.00 35.03 32.87 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 0.77 -0.95 3.64 0.72 0.00 -1.10 -4.95 105.19 103.31 1dm5 n GLY 100 Ca 0.11 -1.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 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 4.00 0.16 0.99 0.20 -1.26 -4.79 118.68 117.98 1dm5 s LEU 101 Ca 0.00 1.99 0.00 0.00 0.69 0.00 0.00 54.13 56.81 1dm5 s LEU 101 Cb 0.00 -3.53 0.00 0.00 -0.43 0.00 0.00 46.19 42.23 1dm5 s LEU 101 CO 0.00 -1.28 0.00 0.61 -0.29 0.00 0.00 176.35 175.39 1dm5 n GLY 102 N 4.73 -1.62 3.41 7.98 0.00 -1.26 -4.84 105.19 113.59 1dm5 n GLY 102 Ca 0.21 -1.37 -0.36 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.65 3.96 -1.18 2.61 2.01 -1.26 -4.63 115.64 115.50 1dm5 s THR 103 Ca 0.00 -0.29 -0.18 0.00 0.31 0.00 0.00 61.69 61.52 1dm5 s THR 103 Cb 0.00 -2.83 0.09 0.00 0.01 0.00 0.00 72.50 69.78 1dm5 s THR 103 CO 0.00 0.38 1.54 -0.62 -0.69 0.00 0.00 174.62 175.24 1dm5 s ASP 104 N 1.43 6.79 0.32 3.53 3.68 0.10 -4.83 116.67 127.68 1dm5 s ASP 104 Ca 0.05 -2.30 0.14 0.00 2.13 0.00 0.00 52.55 52.57 1dm5 s ASP 104 Cb -0.15 -2.52 0.48 0.00 -1.45 0.00 0.00 42.92 39.29 1dm5 s ASP 104 CO 0.01 -1.14 1.66 0.11 0.13 0.00 0.00 175.17 175.94 1dm5 h LYS 105 N 8.12 0.00 -0.85 4.34 1.57 -1.96 -2.57 116.57 125.22 1dm5 h LYS 105 Ca 0.33 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1dm5 h LYS 105 Cb 0.92 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.19 1dm5 h LYS 105 CO 1.37 0.51 0.52 -0.91 -0.57 0.00 0.00 179.45 180.37 1dm5 h ASN 106 N 0.00 1.01 -0.47 0.86 -0.26 -1.99 -1.93 115.58 112.79 1dm5 h ASN 106 Ca -0.01 -0.05 -0.04 0.00 -0.56 0.00 0.00 56.30 55.64 1dm5 h ASN 106 Cb 1.02 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 38.00 1dm5 h ASN 106 CO 0.07 0.77 0.15 0.00 -1.06 0.00 0.00 177.43 177.35 1dm5 h ALA 107 N 1.40 0.62 -0.96 -0.83 0.00 -1.87 -0.70 119.26 116.93 1dm5 h ALA 107 Ca 0.31 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1dm5 h ALA 107 Cb -0.06 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 1dm5 h ALA 107 CO -0.06 0.28 0.60 -0.07 0.00 0.00 0.00 179.25 180.00 1dm5 h LEU 108 N 0.63 1.14 -0.19 0.00 3.38 -1.37 -2.14 115.31 116.76 1dm5 h LEU 108 Ca 0.15 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1dm5 h LEU 108 Cb 0.27 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1dm5 h LEU 108 CO -0.00 0.86 -0.02 0.40 0.09 0.00 0.00 178.44 179.76 1dm5 h ILE 109 N 1.32 1.27 -0.81 1.22 2.04 -1.00 0.10 117.51 121.66 1dm5 h ILE 109 Ca 0.35 -0.94 0.12 0.00 1.00 0.00 0.00 64.86 65.39 1dm5 h ILE 109 Cb -0.09 1.51 -0.08 0.00 -0.74 0.00 0.00 36.82 37.42 1dm5 h ILE 109 CO -0.07 0.28 0.41 0.44 0.00 0.00 0.00 178.15 179.22 1dm5 h ASP 110 N 0.09 0.52 0.18 1.72 3.45 -0.83 -1.31 116.42 120.23 1dm5 h ASP 110 Ca 0.05 0.08 -0.34 0.00 0.43 0.00 0.00 57.03 57.25 1dm5 h ASP 110 Cb 0.44 -0.01 0.01 0.00 -0.56 0.00 0.00 39.33 39.21 1dm5 h ASP 110 CO 0.01 0.25 -1.70 0.40 -1.57 0.00 0.00 179.24 176.64 1dm5 h ILE 111 N 0.64 0.95 0.00 0.35 2.04 -1.34 -3.38 117.51 116.76 1dm5 h ILE 111 Ca 0.42 -2.49 0.00 0.00 1.00 0.00 0.00 64.86 63.79 1dm5 h ILE 111 Cb 0.53 2.76 0.00 0.00 -0.74 0.00 0.00 36.82 39.37 1dm5 h ILE 111 CO -0.32 0.84 -1.42 0.18 0.00 0.00 0.00 178.15 177.42 1dm5 n LEU 112 N -3.65 0.54 -1.33 1.44 4.77 0.35 -4.33 117.00 114.79 1dm5 n LEU 112 Ca -0.25 -0.28 0.11 0.00 -0.03 0.00 0.00 56.01 55.56 1dm5 n LEU 112 Cb 1.05 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 42.45 1dm5 n LEU 112 CO 0.50 0.13 0.77 0.00 -1.33 0.00 0.00 177.39 177.46 1dm5 n THR 114 N 1.39 0.44 -4.07 0.00 -2.24 -1.26 -4.23 114.28 104.31 1dm5 n THR 114 Ca 0.23 -0.45 -0.22 0.00 -2.27 0.00 0.00 64.05 61.34 1dm5 n THR 114 Cb 0.67 0.80 -0.04 0.00 -2.10 0.00 0.00 70.33 69.66 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 -0.44 3.06 0.77 -0.78 -1.52 -1.26 -5.09 119.66 114.40 1dm5 s GLN 115 Ca 0.00 -0.95 -0.11 0.00 -1.95 0.00 0.00 55.36 52.35 1dm5 s GLN 115 Cb 0.00 -2.66 0.07 0.00 -0.22 0.00 0.00 33.01 30.19 1dm5 s GLN 115 CO 0.00 0.42 1.13 -1.54 -0.25 0.00 0.00 175.29 175.06 1dm5 s SER 116 N -3.76 4.70 0.16 5.90 1.04 -1.26 -4.85 113.70 115.63 1dm5 s SER 116 Ca 0.33 0.76 -0.17 0.00 0.48 0.00 0.00 55.95 57.35 1dm5 s SER 116 Cb -0.08 -1.33 0.08 0.00 0.10 0.00 0.00 66.02 64.79 1dm5 s SER 116 CO 0.26 -1.76 1.69 0.78 0.98 0.00 0.00 173.24 175.18 1dm5 h ASN 117 N -0.91 -0.24 -0.39 7.02 2.35 -1.93 -1.04 115.58 120.45 1dm5 h ASN 117 Ca -0.46 0.10 -0.06 0.00 -0.55 0.00 0.00 56.30 55.33 1dm5 h ASN 117 Cb 1.32 0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.85 1dm5 h ASN 117 CO 0.65 -0.08 0.04 0.00 -1.65 0.00 0.00 177.43 176.39 1dm5 h ALA 118 N 1.34 1.20 -0.29 -0.83 0.00 -1.94 0.11 119.26 118.86 1dm5 h ALA 118 Ca 0.18 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 1dm5 h ALA 118 Cb 0.26 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1dm5 h ALA 118 CO -0.34 0.53 -0.46 1.96 0.00 0.00 0.00 179.25 180.95 1dm5 h GLN 119 N 0.70 0.82 -0.50 0.00 4.20 -1.83 -1.45 115.11 117.06 1dm5 h GLN 119 Ca 0.15 -0.50 0.00 0.00 0.06 0.00 0.00 58.65 58.36 1dm5 h GLN 119 Cb 0.38 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 1dm5 h GLN 119 CO 0.01 1.13 0.32 0.82 -0.67 0.00 0.00 178.83 180.44 1dm5 h ILE 120 N 0.58 1.14 -0.48 2.54 1.08 -0.89 -1.18 117.51 120.30 1dm5 h ILE 120 Ca 0.02 -0.28 -0.12 0.00 -0.39 0.00 0.00 64.86 64.09 1dm5 h ILE 120 Cb 1.06 0.43 -0.01 0.00 -3.07 0.00 0.00 36.82 35.23 1dm5 h ILE 120 CO 0.11 0.14 -0.19 0.45 -0.69 0.00 0.00 178.15 177.96 1dm5 h HIS 121 N 0.67 1.10 -0.88 1.37 3.86 -0.83 -1.26 115.15 119.19 1dm5 h HIS 121 Ca 0.18 -0.25 -0.01 0.00 -1.16 0.00 0.00 60.37 59.13 1dm5 h HIS 121 Cb -0.05 -0.26 -0.04 0.00 1.06 0.00 0.00 27.41 28.11 1dm5 h HIS 121 CO -0.04 1.06 0.51 0.00 0.86 0.00 0.00 177.93 180.32 1dm5 h ALA 122 N 0.93 1.13 -0.35 2.45 0.00 -1.01 -1.56 119.26 120.85 1dm5 h ALA 122 Ca 0.12 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1dm5 h ALA 122 Cb 0.75 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1dm5 h ALA 122 CO 0.06 0.61 -0.15 0.82 0.00 0.00 0.00 179.25 180.60 1dm5 h ILE 123 N 1.22 1.25 -0.63 0.00 2.04 -0.87 -1.09 117.51 119.42 1dm5 h ILE 123 Ca 0.31 -1.14 -0.05 0.00 1.00 0.00 0.00 64.86 64.99 1dm5 h ILE 123 Cb -0.01 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 1dm5 h ILE 123 CO -0.05 0.38 0.22 0.11 0.00 0.00 0.00 178.15 178.80 1dm5 h LYS 124 N 0.56 0.97 -0.39 2.37 1.57 -0.71 -1.43 116.57 119.51 1dm5 h LYS 124 Ca 0.10 -0.20 -0.14 0.00 -1.87 0.00 0.00 60.65 58.54 1dm5 h LYS 124 Cb 0.57 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1dm5 h LYS 124 CO 0.04 0.84 -0.31 0.00 -0.57 0.00 0.00 179.45 179.44 1dm5 h ALA 125 N 1.08 0.70 -0.07 3.86 0.00 -1.01 -1.48 119.26 122.34 1dm5 h ALA 125 Ca 0.21 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1dm5 h ALA 125 Cb 0.26 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1dm5 h ALA 125 CO -0.01 0.67 -0.33 0.00 0.00 0.00 0.00 179.25 179.57 1dm5 h ALA 126 N 0.90 1.31 -0.14 0.00 0.00 -1.07 -1.20 119.26 119.05 1dm5 h ALA 126 Ca 0.08 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 1dm5 h ALA 126 Cb 0.88 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1dm5 h ALA 126 CO 0.08 0.49 -0.11 0.35 0.00 0.00 0.00 179.25 180.06 1dm5 h PHE 127 N 0.13 0.38 -0.41 0.00 3.04 -1.04 0.68 116.94 119.71 1dm5 h PHE 127 Ca 0.02 -0.11 0.04 0.00 3.98 0.00 0.00 57.97 61.90 1dm5 h PHE 127 Cb 0.66 -0.08 -0.04 0.00 2.56 0.00 0.00 35.95 39.04 1dm5 h PHE 127 CO 0.01 0.69 0.18 -0.22 -2.02 0.00 0.00 178.31 176.94 1dm5 h LYS 128 N -0.04 0.35 -0.41 1.11 3.64 -1.14 -0.28 116.57 119.79 1dm5 h LYS 128 Ca 0.03 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1dm5 h LYS 128 Cb 0.62 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.31 1dm5 h LYS 128 CO 0.03 0.23 0.15 1.25 -2.27 0.00 0.00 179.45 178.85 1dm5 h LEU 129 N 0.36 0.18 -0.14 5.20 5.85 -1.10 1.01 115.31 126.67 1dm5 h LEU 129 Ca 0.18 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.86 1dm5 h LEU 129 Cb 0.13 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 1dm5 h LEU 129 CO -0.16 0.14 -0.23 -0.07 -0.34 0.00 0.00 178.44 177.78 1dm5 h LEU 130 N 0.32 0.45 -0.37 2.25 3.38 -0.45 -3.37 115.31 117.52 1dm5 h LEU 130 Ca 0.19 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1dm5 h LEU 130 Cb 0.17 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1dm5 h LEU 130 CO -0.19 0.90 -0.23 -1.22 0.09 0.00 0.00 178.44 177.79 1dm5 n TYR 131 N -4.46 0.00 -1.50 1.13 4.02 -0.15 -4.99 117.16 111.21 1dm5 n TYR 131 Ca -0.07 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.67 1dm5 n TYR 131 Cb 0.43 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.69 1dm5 n TYR 131 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1dm5 n LYS 132 N -0.71 -1.07 -4.42 -0.72 4.01 0.35 -4.98 118.16 110.62 1dm5 n LYS 132 Ca 0.02 1.02 -0.21 0.00 -0.51 0.00 0.00 58.31 58.63 1dm5 n LYS 132 Cb 0.13 -5.18 -0.10 0.00 -0.51 0.00 0.00 35.03 29.37 1dm5 n LYS 132 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 1dm5 s GLU 133 N -3.39 1.53 0.01 1.97 -6.30 -1.26 -5.04 118.70 106.23 1dm5 s GLU 133 Ca 0.00 -1.76 -0.24 0.00 -2.50 0.00 0.00 54.97 50.46 1dm5 s GLU 133 Cb 0.00 -1.20 -0.05 0.00 0.00 0.00 0.00 34.13 32.89 1dm5 s GLU 133 CO 0.00 0.07 0.75 0.34 0.02 0.00 0.00 175.26 176.44 1dm5 s ASP 134 N -3.43 7.14 0.23 -1.70 -1.08 -1.26 -3.87 116.67 112.69 1dm5 s ASP 134 Ca 0.29 1.36 -0.07 0.00 -0.52 0.00 0.00 52.55 53.61 1dm5 s ASP 134 Cb 0.03 -2.45 0.20 0.00 -1.46 0.00 0.00 42.92 39.23 1dm5 s ASP 134 CO 0.11 -0.04 1.82 0.25 0.52 0.00 0.00 175.17 177.84 1dm5 h LEU 135 N 6.06 1.11 -0.55 -1.34 5.85 -1.93 -2.44 115.31 122.07 1dm5 h LEU 135 Ca -0.43 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.08 1dm5 h LEU 135 Cb 1.20 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 1dm5 h LEU 135 CO 0.72 0.93 0.04 -0.08 -0.34 0.00 0.00 178.44 179.72 1dm5 h GLU 136 N 1.21 0.95 -0.55 1.25 4.81 -1.97 -0.09 114.58 120.19 1dm5 h GLU 136 Ca 0.29 -0.28 0.06 0.00 -0.13 0.00 0.00 59.36 59.30 1dm5 h GLU 136 Cb 0.11 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.34 1dm5 h GLU 136 CO -0.04 0.94 0.25 0.87 -0.73 0.00 0.00 179.01 180.30 1dm5 h LYS 137 N 0.83 0.47 -0.40 1.92 1.57 -1.92 -1.21 116.57 117.83 1dm5 h LYS 137 Ca 0.16 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.82 1dm5 h LYS 137 Cb 0.49 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1dm5 h LYS 137 CO 0.02 0.31 -0.11 1.49 -0.57 0.00 0.00 179.45 180.59 1dm5 h GLU 138 N 0.48 0.78 -0.60 3.15 4.81 -1.02 -2.93 114.58 119.26 1dm5 h GLU 138 Ca 0.26 -0.31 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 1dm5 h GLU 138 Cb 0.22 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 1dm5 h GLU 138 CO -0.21 0.92 0.17 0.82 -0.73 0.00 0.00 179.01 179.99 1dm5 h ILE 139 N 0.59 1.23 0.00 2.32 1.08 -0.70 -2.44 117.51 119.59 1dm5 h ILE 139 Ca 0.10 -0.81 -0.02 0.00 -0.39 0.00 0.00 64.86 63.74 1dm5 h ILE 139 Cb 0.64 0.59 -0.00 0.00 -3.07 0.00 0.00 36.82 34.98 1dm5 h ILE 139 CO 0.04 0.31 -0.09 0.40 -0.69 0.00 0.00 178.15 178.12 1dm5 h ILE 140 N 0.88 0.26 0.00 -0.67 2.04 -1.16 -1.33 117.51 117.53 1dm5 h ILE 140 Ca 0.20 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1dm5 h ILE 140 Cb 0.28 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 1dm5 h ILE 140 CO -0.01 0.09 -0.26 -1.54 0.00 0.00 0.00 178.15 176.43 1dm5 n SER 141 N -3.27 0.59 -0.26 1.72 3.41 -0.94 -3.99 113.62 110.89 1dm5 n SER 141 Ca -0.00 0.32 0.03 0.00 -0.26 0.00 0.00 58.87 58.95 1dm5 n SER 141 Cb 0.32 -0.31 0.04 0.00 -0.26 0.00 0.00 64.21 63.99 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 -1.98 0.69 -4.18 4.33 -0.58 -0.69 -5.04 120.64 113.19 1dm5 n GLU 142 Ca 0.05 -1.11 -0.11 0.00 -0.42 0.00 0.00 57.16 55.57 1dm5 n GLU 142 Cb 0.40 -1.12 -0.10 0.00 -0.57 0.00 0.00 31.44 30.06 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 -0.63 0.02 0.26 2.62 -4.23 -0.59 -4.93 115.64 108.17 1dm5 s THR 143 Ca 0.08 -1.96 -0.15 0.00 -1.18 0.00 0.00 61.69 58.48 1dm5 s THR 143 Cb 0.05 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 71.49 1dm5 s THR 143 CO 0.07 -0.09 0.55 -0.94 -0.54 0.00 0.00 174.62 173.68 1dm5 s SER 144 N -3.13 -0.11 0.77 3.99 1.04 -1.26 -4.78 113.70 110.22 1dm5 s SER 144 Ca 0.36 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.92 1dm5 s SER 144 Cb 0.07 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.82 1dm5 s SER 144 CO 0.10 -1.21 0.00 0.61 0.98 0.00 0.00 173.24 173.72 1dm5 n GLY 145 N -0.41 1.07 0.37 7.32 0.00 -1.26 -2.54 105.19 109.74 1dm5 n GLY 145 Ca -0.02 -0.67 -0.03 0.00 0.00 0.00 0.00 46.02 45.30 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 8.98 1.12 -0.20 1.61 2.35 -2.00 -2.01 115.58 125.43 1dm5 h ASN 146 Ca 0.00 -0.08 0.02 0.00 -0.55 0.00 0.00 56.30 55.70 1dm5 h ASN 146 Cb 0.00 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.06 1dm5 h ASN 146 CO 0.00 0.87 0.05 0.15 -1.65 0.00 0.00 177.43 176.85 1dm5 h PHE 147 N 1.28 0.09 -0.67 1.19 3.57 -1.93 -0.48 116.94 119.98 1dm5 h PHE 147 Ca 0.33 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.92 1dm5 h PHE 147 Cb -0.03 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 38.64 1dm5 h PHE 147 CO 0.01 0.03 0.34 0.37 -2.23 0.00 0.00 178.31 176.84 1dm5 h GLN 148 N 0.14 0.59 -0.40 1.11 4.15 -1.16 -1.67 115.11 117.86 1dm5 h GLN 148 Ca 0.09 -0.04 -0.08 0.00 0.77 0.00 0.00 58.65 59.40 1dm5 h GLN 148 Cb 0.08 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 1dm5 h GLN 148 CO -0.11 0.39 -0.08 0.00 -1.93 0.00 0.00 178.83 177.10 1dm5 h ARG 149 N 0.61 0.69 -0.53 1.69 3.08 -0.71 0.79 114.38 120.00 1dm5 h ARG 149 Ca 0.32 -0.20 -0.07 0.00 0.07 0.00 0.00 59.98 60.09 1dm5 h ARG 149 Cb 0.29 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 1dm5 h ARG 149 CO -0.23 0.76 0.05 1.25 -1.07 0.00 0.00 179.97 180.73 1dm5 h LEU 150 N 0.64 0.87 -0.56 3.04 5.85 -0.25 -0.50 115.31 124.41 1dm5 h LEU 150 Ca 0.12 -0.28 -0.07 0.00 0.84 0.00 0.00 57.88 58.49 1dm5 h LEU 150 Cb 0.51 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1dm5 h LEU 150 CO 0.03 0.94 0.09 -0.07 -0.34 0.00 0.00 178.44 179.09 1dm5 h LEU 151 N 0.78 0.89 -0.68 2.25 3.38 -0.78 -1.26 115.31 119.88 1dm5 h LEU 151 Ca 0.16 -0.26 0.03 0.00 0.09 0.00 0.00 57.88 57.90 1dm5 h LEU 151 Cb 0.46 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 1dm5 h LEU 151 CO 0.02 0.92 0.42 0.58 0.09 0.00 0.00 178.44 180.47 1dm5 h VAL 152 N 0.82 1.07 -0.21 1.22 2.07 -0.60 -1.61 116.25 119.01 1dm5 h VAL 152 Ca 0.17 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.44 1dm5 h VAL 152 Cb 0.41 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 1dm5 h VAL 152 CO 0.01 0.15 0.03 0.28 0.02 0.00 0.00 177.57 178.06 1dm5 h SER 153 N 0.81 -0.01 -0.52 0.57 0.02 -0.78 -2.72 113.55 110.93 1dm5 h SER 153 Ca 0.28 0.04 0.05 0.00 -0.84 0.00 0.00 61.79 61.32 1dm5 h SER 153 Cb 0.05 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 1dm5 h SER 153 CO -0.12 0.02 0.35 0.24 -1.14 0.00 0.00 176.83 176.18 1dm5 h MET 154 N 0.11 0.48 0.00 3.45 2.07 -0.57 -2.55 114.93 117.92 1dm5 h MET 154 Ca 0.10 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.70 1dm5 h MET 154 Cb 0.10 -0.11 0.00 0.00 -1.87 0.00 0.00 31.60 29.72 1dm5 h MET 154 CO -0.14 0.32 0.00 1.28 1.07 0.00 0.00 176.91 179.44 1dm5 n LEU 155 N -4.47 0.22 0.13 1.22 4.77 -0.67 -3.26 117.00 114.93 1dm5 n LEU 155 Ca 0.07 0.53 0.13 0.00 -0.03 0.00 0.00 56.01 56.71 1dm5 n LEU 155 Cb 0.22 -0.47 0.40 0.00 -2.33 0.00 0.00 43.42 41.25 1dm5 n LEU 155 CO 0.34 -0.12 0.88 1.56 -1.33 0.00 0.00 177.39 178.72 1dm5 h GLN 156 N 0.00 0.00 -6.26 3.23 1.08 -1.42 -3.47 115.11 108.27 1dm5 h GLN 156 Ca 0.00 0.00 -0.46 0.00 -1.45 0.00 0.00 58.65 56.74 1dm5 h GLN 156 Cb 0.50 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 1dm5 h GLN 156 CO 0.00 0.00 -0.84 0.41 -0.95 0.00 0.00 178.83 177.45 1dm5 n GLY 157 N 1.03 -0.29 0.50 3.46 0.00 -1.20 -4.89 105.19 103.79 1dm5 n GLY 157 Ca 0.05 0.14 0.07 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 -1.71 3.93 3.73 -0.02 0.00 -1.26 -4.82 105.19 105.03 1dm5 n GLY 158 Ca -0.25 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 1dm5 n GLY 158 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1dm5 n ARG 159 N -0.60 2.50 -2.51 1.61 0.63 -1.26 -4.86 116.66 112.16 1dm5 n ARG 159 Ca 0.15 0.88 -0.43 0.00 -0.92 0.00 0.00 57.85 57.54 1dm5 n ARG 159 Cb 0.66 -2.61 0.00 0.00 0.45 0.00 0.00 32.46 30.95 1dm5 n ARG 159 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1dm5 n LYS 160 N 1.74 3.20 0.12 -0.14 4.81 -0.30 -4.74 118.16 122.85 1dm5 n LYS 160 Ca 0.08 -3.29 0.12 0.00 -0.87 0.00 0.00 58.31 54.35 1dm5 n LYS 160 Cb 0.36 -3.37 0.48 0.00 0.02 0.00 0.00 35.03 32.51 1dm5 n LYS 160 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1dm5 n GLU 161 N 7.44 0.20 -0.06 1.64 1.02 -1.26 -1.90 120.64 127.71 1dm5 n GLU 161 Ca 0.47 0.39 0.12 0.00 -0.02 0.00 0.00 57.16 58.12 1dm5 n GLU 161 Cb 0.44 -1.85 0.37 0.00 -0.02 0.00 0.00 31.44 30.38 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 -2.22 1.98 -4.66 1.62 5.75 -1.26 -4.88 116.55 112.88 1dm5 n ASP 162 Ca 0.03 -1.71 -0.43 0.00 -0.01 0.00 0.00 54.79 52.67 1dm5 n ASP 162 Cb 0.25 -0.08 -0.02 0.00 -1.03 0.00 0.00 41.12 40.24 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 -1.84 4.22 0.53 0.11 2.12 -0.80 -4.99 118.70 118.05 1dm5 s GLU 163 Ca 0.34 1.84 -0.16 0.00 0.36 0.00 0.00 54.97 57.35 1dm5 s GLU 163 Cb 0.19 -3.83 -0.07 0.00 0.26 0.00 0.00 34.13 30.68 1dm5 s GLU 163 CO 0.30 -0.75 1.00 -1.25 -0.54 0.00 0.00 175.26 174.02 1dm5 s PRO 164 N 3.64 3.80 0.17 4.30 0.05 -1.26 -4.56 135.00 141.14 1dm5 s PRO 164 Ca 0.61 1.01 -0.33 0.00 0.05 0.00 0.00 61.00 62.34 1dm5 s PRO 164 Cb -0.26 -2.11 -0.15 0.00 0.05 0.00 0.00 34.50 32.03 1dm5 s PRO 164 CO 0.20 -0.40 1.32 0.28 0.05 0.00 0.00 177.00 178.46 1dm5 n VAL 165 N -1.69 0.59 -3.29 -0.36 0.31 -1.26 -4.81 118.33 107.83 1dm5 n VAL 165 Ca 0.07 -0.15 -0.08 0.00 -0.01 0.00 0.00 64.34 64.17 1dm5 n VAL 165 Cb 0.54 -1.10 -0.05 0.00 -0.91 0.00 0.00 33.84 32.31 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 0.31 0.10 0.27 4.52 3.84 -1.26 -5.03 114.94 117.68 1dm5 s ASN 166 Ca 0.75 -0.68 0.00 0.00 0.21 0.00 0.00 52.86 53.14 1dm5 s ASN 166 Cb -0.80 1.19 0.62 0.00 -0.55 0.00 0.00 41.25 41.71 1dm5 s ASN 166 CO 0.48 -0.30 1.71 0.00 -2.79 0.00 0.00 177.10 176.20 1dm5 h ALA 167 N 7.71 1.28 -0.16 1.71 0.00 -1.97 0.76 119.26 128.59 1dm5 h ALA 167 Ca -0.03 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1dm5 h ALA 167 Cb 1.12 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1dm5 h ALA 167 CO 0.21 -0.28 0.06 0.00 0.00 0.00 0.00 179.25 179.23 1dm5 h ALA 168 N 1.65 0.21 -0.41 0.00 0.00 -2.00 0.15 119.26 118.86 1dm5 h ALA 168 Ca 0.50 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 55.18 1dm5 h ALA 168 Cb 0.88 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1dm5 h ALA 168 CO -0.49 -0.18 -0.18 0.45 0.00 0.00 0.00 179.25 178.85 1dm5 h HIS 169 N 0.09 0.89 -0.90 0.00 3.86 -1.91 -2.66 115.15 114.52 1dm5 h HIS 169 Ca 0.05 -0.19 0.06 0.00 -1.16 0.00 0.00 60.37 59.13 1dm5 h HIS 169 Cb 0.21 -0.22 -0.06 0.00 1.06 0.00 0.00 27.41 28.40 1dm5 h HIS 169 CO -0.00 0.91 0.57 0.00 0.86 0.00 0.00 177.93 180.26 1dm5 h ALA 170 N 1.09 1.23 -0.22 2.45 0.00 -0.41 0.16 119.26 123.56 1dm5 h ALA 170 Ca 0.10 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1dm5 h ALA 170 Cb 0.69 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1dm5 h ALA 170 CO 0.05 0.35 -0.18 0.00 0.00 0.00 0.00 179.25 179.47 1dm5 h ALA 171 N 1.41 1.29 -0.22 0.00 0.00 -0.79 -0.54 119.26 120.41 1dm5 h ALA 171 Ca 0.38 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1dm5 h ALA 171 Cb 0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1dm5 h ALA 171 CO -0.16 0.47 -0.05 0.93 0.00 0.00 0.00 179.25 180.45 1dm5 h GLU 172 N 0.35 0.42 -0.79 0.00 5.08 -0.90 -1.15 114.58 117.59 1dm5 h GLU 172 Ca 0.06 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 1dm5 h GLU 172 Cb 0.52 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.71 1dm5 h GLU 172 CO 0.03 0.65 0.33 -0.44 -1.00 0.00 0.00 179.01 178.58 1dm5 h ASP 173 N 0.16 1.09 -0.55 1.42 3.45 -0.75 -0.77 116.42 120.47 1dm5 h ASP 173 Ca 0.06 -0.17 -0.04 0.00 0.43 0.00 0.00 57.03 57.31 1dm5 h ASP 173 Cb 0.49 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.96 1dm5 h ASP 173 CO 0.02 0.96 0.20 0.00 -1.57 0.00 0.00 179.24 178.85 1dm5 h ALA 174 N 1.17 0.71 -0.79 3.45 0.00 -0.90 -0.40 119.26 122.50 1dm5 h ALA 174 Ca 0.27 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1dm5 h ALA 174 Cb 0.20 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1dm5 h ALA 174 CO -0.02 0.35 0.41 0.00 0.00 0.00 0.00 179.25 179.98 1dm5 h ALA 175 N 1.05 1.23 -0.17 0.00 0.00 -0.93 -0.03 119.26 120.41 1dm5 h ALA 175 Ca 0.18 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1dm5 h ALA 175 Cb 0.23 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1dm5 h ALA 175 CO -0.01 0.61 -0.24 0.00 0.00 0.00 0.00 179.25 179.61 1dm5 h ALA 176 N 1.34 1.28 -0.23 0.00 0.00 -0.58 -1.63 119.26 119.44 1dm5 h ALA 176 Ca 0.28 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1dm5 h ALA 176 Cb 0.07 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1dm5 h ALA 176 CO -0.04 0.48 -0.35 0.82 0.00 0.00 0.00 179.25 180.16 1dm5 h ILE 177 N 0.28 1.32 -0.31 0.00 2.04 -0.33 -1.69 117.51 118.82 1dm5 h ILE 177 Ca 0.04 -1.55 0.06 0.00 1.00 0.00 0.00 64.86 64.42 1dm5 h ILE 177 Cb 0.58 1.75 -0.06 0.00 -0.74 0.00 0.00 36.82 38.35 1dm5 h ILE 177 CO 0.04 0.49 -0.10 0.22 0.00 0.00 0.00 178.15 178.80 1dm5 h TYR 178 N 0.35 -0.21 -0.33 1.37 3.20 -0.88 -1.79 116.97 118.67 1dm5 h TYR 178 Ca 0.02 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.88 1dm5 h TYR 178 Cb 0.93 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 39.33 1dm5 h TYR 178 CO 0.08 -0.16 0.01 1.96 -1.64 0.00 0.00 178.16 178.42 1dm5 h GLN 179 N -0.03 0.51 0.00 1.82 1.08 -1.23 0.15 115.11 117.42 1dm5 h GLN 179 Ca 0.15 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1dm5 h GLN 179 Cb 0.26 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 1dm5 h GLN 179 CO -0.33 0.52 0.00 0.00 -0.95 0.00 0.00 178.83 178.07 1dm5 h ALA 180 N 1.53 1.00 -3.00 3.87 0.00 -0.74 -3.38 119.26 118.54 1dm5 h ALA 180 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1dm5 h ALA 180 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1dm5 h ALA 180 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1dm5 n GLY 181 N 0.55 1.18 0.33 0.00 0.00 -0.73 0.17 105.19 106.69 1dm5 n GLY 181 Ca 0.03 -0.09 0.21 0.00 0.00 0.00 0.00 46.02 46.16 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 0.07 -0.03 1.61 5.08 -1.72 -1.86 114.58 117.73 1dm5 h GLU 182 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1dm5 h GLU 182 Cb 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1dm5 h GLU 182 CO 0.00 0.04 0.00 0.41 -1.00 0.00 0.00 179.01 178.46 1dm5 n GLY 183 N -1.38 -0.86 3.29 -3.84 0.00 0.48 -4.79 105.19 98.08 1dm5 n GLY 183 Ca 0.28 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.96 1.02 0.04 1.61 -2.07 -0.70 -4.92 119.66 112.67 1dm5 s GLN 184 Ca 0.06 -0.95 -0.21 0.00 -1.82 0.00 0.00 55.36 52.45 1dm5 s GLN 184 Cb 0.03 0.39 -0.14 0.00 -1.09 0.00 0.00 33.01 32.20 1dm5 s GLN 184 CO 0.05 -0.37 1.36 0.82 -1.32 0.00 0.00 175.29 175.83 1dm5 h ILE 185 N 2.56 1.34 -0.97 3.63 1.08 -1.87 -3.45 117.51 119.83 1dm5 h ILE 185 Ca -0.33 -1.23 0.00 0.00 -0.39 0.00 0.00 64.86 62.91 1dm5 h ILE 185 Cb 1.22 1.85 0.00 0.00 -3.07 0.00 0.00 36.82 36.82 1dm5 h ILE 185 CO 0.51 0.36 0.00 0.61 -0.69 0.00 0.00 178.15 178.94 1dm5 n GLY 186 N 0.14 -0.21 3.08 5.37 0.00 -1.26 -5.09 105.19 107.22 1dm5 n GLY 186 Ca -0.06 -1.64 -0.13 0.00 0.00 0.00 0.00 46.02 44.19 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 0.21 -0.02 -1.03 2.61 2.01 -1.26 -4.72 115.64 113.44 1dm5 s THR 187 Ca 0.00 0.06 -0.06 0.00 0.31 0.00 0.00 61.69 62.00 1dm5 s THR 187 Cb 0.00 -0.34 0.26 0.00 0.01 0.00 0.00 72.50 72.43 1dm5 s THR 187 CO 0.00 0.02 1.03 -0.67 -0.69 0.00 0.00 174.62 174.32 1dm5 n ASP 188 N 3.46 5.12 -0.22 3.53 4.64 0.13 -4.91 116.55 128.30 1dm5 n ASP 188 Ca -0.18 -3.11 0.10 0.00 -1.38 0.00 0.00 54.79 50.22 1dm5 n ASP 188 Cb 0.56 -1.24 0.39 0.00 -1.04 0.00 0.00 41.12 39.79 1dm5 n ASP 188 CO 0.00 0.00 0.00 -0.08 -0.82 0.00 0.00 177.20 176.30 1dm5 h GLU 189 N 6.26 0.65 0.00 -0.67 4.22 -1.98 -1.11 114.58 121.95 1dm5 h GLU 189 Ca 0.18 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.58 1dm5 h GLU 189 Cb 0.82 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1dm5 h GLU 189 CO 0.99 0.43 0.00 0.66 -2.18 0.00 0.00 179.01 178.91 1dm5 h SER 190 N 0.67 0.00 0.95 1.04 4.64 -1.97 -1.28 113.55 117.61 1dm5 h SER 190 Ca 0.39 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.53 1dm5 h SER 190 Cb 0.57 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.63 1dm5 h SER 190 CO -0.15 0.00 -0.82 -0.09 -0.87 0.00 0.00 176.83 174.90 1dm5 h ARG 191 N 0.00 0.00 -0.19 4.77 9.65 -1.60 0.75 114.38 127.75 1dm5 h ARG 191 Ca 0.00 0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 58.80 1dm5 h ARG 191 Cb 0.26 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.84 1dm5 h ARG 191 CO 0.00 0.82 -0.18 0.74 2.80 0.00 0.00 179.97 184.15 1dm5 h PHE 192 N 0.00 0.56 -0.03 2.20 0.04 -1.34 -2.41 116.94 115.96 1dm5 h PHE 192 Ca -0.01 -0.17 0.03 0.00 2.80 0.00 0.00 57.97 60.62 1dm5 h PHE 192 Cb 1.52 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 39.52 1dm5 h PHE 192 CO 0.00 0.82 -0.12 -0.97 -0.60 0.00 0.00 178.31 177.44 1dm5 h ASN 193 N 0.14 -0.37 0.04 2.17 -1.24 -1.24 -2.08 115.58 113.00 1dm5 h ASN 193 Ca 0.03 0.06 0.02 0.00 0.71 0.00 0.00 56.30 57.12 1dm5 h ASN 193 Cb 0.72 0.16 -0.03 0.00 0.73 0.00 0.00 38.32 39.91 1dm5 h ASN 193 CO 0.05 -0.17 -0.17 0.00 -1.29 0.00 0.00 177.43 175.84 1dm5 h ALA 194 N 0.80 -0.24 -0.20 1.57 0.00 -0.85 -1.53 119.26 118.80 1dm5 h ALA 194 Ca 0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1dm5 h ALA 194 Cb 0.27 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1dm5 h ALA 194 CO -0.15 -0.68 0.03 0.28 0.00 0.00 0.00 179.25 178.73 1dm5 h VAL 195 N -0.30 1.23 0.00 0.00 2.07 -1.42 -2.86 116.25 114.98 1dm5 h VAL 195 Ca 0.04 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1dm5 h VAL 195 Cb 0.35 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1dm5 h VAL 195 CO -0.13 0.24 0.00 -0.07 0.02 0.00 0.00 177.57 177.63 1dm5 h LEU 196 N 0.12 0.00 0.00 2.57 4.07 -1.27 -2.69 115.31 118.10 1dm5 h LEU 196 Ca 0.06 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.94 1dm5 h LEU 196 Cb 0.33 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.06 1dm5 h LEU 196 CO 0.01 0.00 -1.48 0.00 -1.08 0.00 0.00 178.44 175.89 1dm5 n ALA 197 N -2.06 2.33 -0.05 1.53 0.00 -0.59 -4.63 120.51 117.04 1dm5 n ALA 197 Ca 0.02 -0.48 -0.04 0.00 0.00 0.00 0.00 53.44 52.94 1dm5 n ALA 197 Cb 0.37 -0.90 -0.10 0.00 0.00 0.00 0.00 19.45 18.82 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 -2.65 0.66 -2.67 0.00 -2.24 -1.08 -4.19 114.28 102.12 1dm5 n THR 198 Ca -0.07 -0.46 -0.39 0.00 -2.27 0.00 0.00 64.05 60.86 1dm5 n THR 198 Cb 0.69 -0.51 -0.05 0.00 -2.10 0.00 0.00 70.33 68.35 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 -2.40 4.71 0.76 -0.78 3.00 -1.02 -1.15 118.95 122.07 1dm5 s ARG 199 Ca -0.06 1.55 -0.15 0.00 0.00 0.00 0.00 55.73 57.08 1dm5 s ARG 199 Cb 0.04 -3.14 0.04 0.00 0.00 0.00 0.00 34.95 31.90 1dm5 s ARG 199 CO 0.50 0.36 1.10 -1.13 0.00 0.00 0.00 175.30 176.12 1dm5 n SER 200 N 1.17 0.85 -0.16 0.23 3.41 -1.17 -4.66 113.62 113.28 1dm5 n SER 200 Ca -0.01 0.64 -0.04 0.00 -0.26 0.00 0.00 58.87 59.20 1dm5 n SER 200 Cb 0.47 -1.47 0.06 0.00 -0.26 0.00 0.00 64.21 63.01 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 -0.50 0.39 -0.66 7.33 -1.99 -1.90 0.61 116.97 120.25 1dm5 h TYR 201 Ca -0.47 0.02 0.06 0.00 2.00 0.00 0.00 58.73 60.34 1dm5 h TYR 201 Cb 1.32 -0.10 -0.06 0.00 2.00 0.00 0.00 36.73 39.89 1dm5 h TYR 201 CO 0.43 0.16 0.36 -1.35 -0.00 0.00 0.00 178.16 177.76 1dm5 h PRO 202 N 0.42 0.63 0.00 4.88 0.11 -1.91 -1.17 132.00 134.96 1dm5 h PRO 202 Ca 0.23 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 66.19 1dm5 h PRO 202 Cb 0.20 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.15 1dm5 h PRO 202 CO -0.20 0.42 -0.55 0.37 -0.21 0.00 0.00 178.00 177.83 1dm5 h GLN 203 N 0.65 0.00 -0.53 1.05 5.75 -1.66 -2.44 115.11 117.94 1dm5 h GLN 203 Ca 0.30 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.68 1dm5 h GLN 203 Cb 0.21 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.75 1dm5 h GLN 203 CO -0.19 0.55 -0.15 -0.07 -2.65 0.00 0.00 178.83 176.31 1dm5 h LEU 204 N 0.00 1.05 -0.70 -2.39 3.38 -0.44 0.30 115.31 116.50 1dm5 h LEU 204 Ca -0.01 -0.37 0.07 0.00 0.09 0.00 0.00 57.88 57.66 1dm5 h LEU 204 Cb 0.97 -0.29 -0.06 0.00 0.09 0.00 0.00 40.66 41.38 1dm5 h LEU 204 CO 0.07 1.17 0.39 -0.74 0.09 0.00 0.00 178.44 179.42 1dm5 h HIS 205 N 0.91 0.71 -0.46 1.13 2.76 -0.96 0.80 115.15 120.04 1dm5 h HIS 205 Ca 0.13 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.23 1dm5 h HIS 205 Cb 0.73 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 29.46 1dm5 h HIS 205 CO 0.05 0.32 -0.10 0.37 -1.30 0.00 0.00 177.93 177.27 1dm5 h GLN 206 N 0.70 0.83 -0.72 5.26 5.75 -1.20 -2.23 115.11 123.50 1dm5 h GLN 206 Ca 0.32 -0.28 -0.02 0.00 -0.15 0.00 0.00 58.65 58.52 1dm5 h GLN 206 Cb 0.23 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.68 1dm5 h GLN 206 CO -0.20 0.90 0.37 0.82 -2.65 0.00 0.00 178.83 178.06 1dm5 h ILE 207 N 0.75 1.23 -0.26 2.39 2.04 0.18 -0.00 117.51 123.83 1dm5 h ILE 207 Ca 0.13 -0.61 -0.08 0.00 1.00 0.00 0.00 64.86 65.30 1dm5 h ILE 207 Cb 0.60 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1dm5 h ILE 207 CO 0.04 0.26 -0.17 -0.26 0.00 0.00 0.00 178.15 178.02 1dm5 h PHE 208 N 0.99 0.50 -0.38 1.37 0.05 -0.52 0.66 116.94 119.62 1dm5 h PHE 208 Ca 0.25 -0.08 -0.09 0.00 3.82 0.00 0.00 57.97 61.86 1dm5 h PHE 208 Cb 0.08 -0.13 -0.01 0.00 2.00 0.00 0.00 35.95 37.89 1dm5 h PHE 208 CO 0.00 0.61 -0.12 1.25 -0.18 0.00 0.00 178.31 179.86 1dm5 h HIS 209 N 0.42 0.85 -0.52 -0.55 2.76 -0.99 -2.41 115.15 114.72 1dm5 h HIS 209 Ca 0.07 -0.19 -0.04 0.00 -2.20 0.00 0.00 60.37 58.01 1dm5 h HIS 209 Cb 0.54 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.27 1dm5 h HIS 209 CO 0.02 0.91 0.15 0.93 -1.30 0.00 0.00 177.93 178.63 1dm5 h GLU 210 N 0.55 0.77 -0.66 5.26 4.39 -0.53 -2.93 114.58 121.44 1dm5 h GLU 210 Ca 0.09 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 1dm5 h GLU 210 Cb 0.65 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.15 1dm5 h GLU 210 CO 0.04 0.68 0.35 -0.92 -1.16 0.00 0.00 179.01 178.00 1dm5 h TYR 211 N 0.75 0.93 0.00 4.33 3.20 -0.54 -1.36 116.97 124.28 1dm5 h TYR 211 Ca 0.17 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 1dm5 h TYR 211 Cb 0.24 -0.29 -0.00 0.00 1.54 0.00 0.00 36.73 38.22 1dm5 h TYR 211 CO 0.01 0.67 -0.03 0.66 -1.64 0.00 0.00 178.16 177.84 1dm5 h SER 212 N 0.91 0.00 1.37 -2.11 4.64 -1.25 -0.73 113.55 116.37 1dm5 h SER 212 Ca 0.23 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.51 1dm5 h SER 212 Cb 0.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1dm5 h SER 212 CO -0.03 0.03 -0.22 0.11 -0.87 0.00 0.00 176.83 175.85 1dm5 h LYS 213 N 0.00 0.00 -0.09 4.77 1.57 -1.19 -3.34 116.57 118.29 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 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1dm5 h LYS 213 CO 0.00 0.22 0.00 0.44 -0.57 0.00 0.00 179.45 179.54 1dm5 n ILE 214 N -3.23 0.30 -4.13 1.86 -5.35 -0.30 -5.01 119.36 103.50 1dm5 n ILE 214 Ca 0.02 -0.65 -0.10 0.00 -0.27 0.00 0.00 62.75 61.74 1dm5 n ILE 214 Cb 0.52 0.97 -0.09 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 -0.80 0.17 0.00 7.28 0.15 -1.08 -5.01 113.70 114.41 1dm5 s SER 215 Ca 0.12 -1.20 0.21 0.00 0.70 0.00 0.00 55.95 55.78 1dm5 s SER 215 Cb 0.08 0.37 0.66 0.00 -1.71 0.00 0.00 66.02 65.42 1dm5 s SER 215 CO 0.11 -0.83 1.50 -0.46 1.20 0.00 0.00 173.24 174.76 1dm5 n ASN 216 N -0.20 2.07 -4.60 5.45 2.04 -1.26 -4.80 115.26 113.96 1dm5 n ASN 216 Ca -0.03 -1.78 -0.29 0.00 -0.44 0.00 0.00 54.58 52.04 1dm5 n ASN 216 Cb 0.64 -0.14 -0.09 0.00 -2.53 0.00 0.00 39.78 37.66 1dm5 n ASN 216 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 1dm5 s LYS 217 N -1.72 2.19 0.79 -3.83 1.02 -1.26 -5.13 119.74 111.80 1dm5 s LYS 217 Ca 0.33 -1.06 -0.11 0.00 0.02 0.00 0.00 55.97 55.15 1dm5 s LYS 217 Cb 0.18 -2.31 0.07 0.00 -0.52 0.00 0.00 37.83 35.25 1dm5 s LYS 217 CO 0.27 0.49 1.09 0.95 -0.92 0.00 0.00 175.35 177.23 1dm5 s THR 218 N -1.37 3.21 0.40 2.17 -4.23 -1.26 -4.61 115.64 109.94 1dm5 s THR 218 Ca 0.23 0.39 0.12 0.00 -1.18 0.00 0.00 61.69 61.25 1dm5 s THR 218 Cb -0.11 -3.06 0.33 0.00 1.34 0.00 0.00 72.50 71.00 1dm5 s THR 218 CO 0.15 -0.51 1.93 -0.29 -0.54 0.00 0.00 174.62 175.36 1dm5 h ILE 219 N -1.10 0.88 -0.00 2.99 6.09 -1.91 0.21 117.51 124.67 1dm5 h ILE 219 Ca -0.46 -0.19 0.01 0.00 -1.37 0.00 0.00 64.86 62.85 1dm5 h ILE 219 Cb 1.26 0.29 -0.01 0.00 0.47 0.00 0.00 36.82 38.82 1dm5 h ILE 219 CO 0.57 0.10 -0.06 -0.07 -3.07 0.00 0.00 178.15 175.62 1dm5 h LEU 220 N 0.54 -0.18 -0.72 2.19 4.07 -1.98 -0.36 115.31 118.87 1dm5 h LEU 220 Ca 0.35 0.03 -0.09 0.00 0.08 0.00 0.00 57.88 58.24 1dm5 h LEU 220 Cb 0.61 0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.41 1dm5 h LEU 220 CO -0.12 -0.09 -0.05 1.56 -1.08 0.00 0.00 178.44 178.65 1dm5 h GLN 221 N -0.11 0.93 -0.47 1.13 4.20 -1.66 -0.58 115.11 118.55 1dm5 h GLN 221 Ca 0.03 -0.30 -0.00 0.00 0.06 0.00 0.00 58.65 58.44 1dm5 h GLN 221 Cb 0.14 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1dm5 h GLN 221 CO -0.07 0.95 0.29 0.00 -0.67 0.00 0.00 178.83 179.33 1dm5 h ALA 222 N 1.09 0.59 -0.16 3.87 0.00 -0.63 -0.80 119.26 123.23 1dm5 h ALA 222 Ca 0.15 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1dm5 h ALA 222 Cb 0.57 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1dm5 h ALA 222 CO 0.03 0.07 -0.02 0.82 0.00 0.00 0.00 179.25 180.16 1dm5 h ILE 223 N 0.62 1.27 -0.83 0.00 2.04 -0.92 0.21 117.51 119.91 1dm5 h ILE 223 Ca 0.17 -0.93 0.17 0.00 1.00 0.00 0.00 64.86 65.27 1dm5 h ILE 223 Cb -0.02 1.57 -0.11 0.00 -0.74 0.00 0.00 36.82 37.52 1dm5 h ILE 223 CO -0.03 0.27 0.36 -0.33 0.00 0.00 0.00 178.15 178.42 1dm5 h GLU 224 N 0.01 0.45 0.08 2.37 4.39 -0.97 -1.09 114.58 119.81 1dm5 h GLU 224 Ca 0.04 -0.03 -0.25 0.00 0.34 0.00 0.00 59.36 59.47 1dm5 h GLU 224 Cb 0.43 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1dm5 h GLU 224 CO 0.01 0.30 -1.12 -0.97 -1.16 0.00 0.00 179.01 176.07 1dm5 h ASN 225 N 0.46 0.33 0.85 1.42 -1.24 -0.97 -3.34 115.58 113.08 1dm5 h ASN 225 Ca 0.48 -0.33 -0.22 0.00 0.71 0.00 0.00 56.30 56.94 1dm5 h ASN 225 Cb 0.79 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.72 1dm5 h ASN 225 CO -0.45 1.23 -1.04 -0.08 -1.29 0.00 0.00 177.43 175.80 1dm5 h GLU 226 N 0.08 0.09 -5.43 6.67 4.57 0.19 -3.48 114.58 117.28 1dm5 h GLU 226 Ca -0.09 -0.15 -0.63 0.00 -1.18 0.00 0.00 59.36 57.31 1dm5 h GLU 226 Cb 1.83 0.05 -0.13 0.00 -0.16 0.00 0.00 28.75 30.34 1dm5 h GLU 226 CO 0.18 1.04 -0.57 -0.06 -1.18 0.00 0.00 179.01 178.42 1dm5 s PHE 227 N -2.77 2.21 0.22 0.92 0.08 -0.49 -5.07 117.98 113.08 1dm5 s PHE 227 Ca -0.01 -0.83 -0.04 0.00 0.12 0.00 0.00 56.93 56.17 1dm5 s PHE 227 Cb 0.09 -1.64 -0.03 0.00 -0.57 0.00 0.00 43.02 40.87 1dm5 s PHE 227 CO 0.84 0.30 0.25 -1.54 -0.10 0.00 0.00 175.22 174.96 1dm5 s SER 228 N -3.74 0.17 0.79 1.36 1.04 -1.26 -4.77 113.70 107.29 1dm5 s SER 228 Ca 0.24 -1.28 0.00 0.00 0.48 0.00 0.00 55.95 55.40 1dm5 s SER 228 Cb 0.07 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1dm5 s SER 228 CO 0.12 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 174.00 1dm5 n GLY 229 N -0.33 0.64 0.32 7.32 0.00 -1.26 -3.37 105.19 108.51 1dm5 n GLY 229 Ca 0.01 -0.78 0.02 0.00 0.00 0.00 0.00 46.02 45.27 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 5.76 0.76 -0.17 1.61 3.45 -2.00 -2.10 116.42 123.73 1dm5 h ASP 230 Ca 0.00 0.04 -0.13 0.00 0.43 0.00 0.00 57.03 57.37 1dm5 h ASP 230 Cb 0.00 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 38.64 1dm5 h ASP 230 CO 0.00 0.45 -0.34 -0.29 -1.57 0.00 0.00 179.24 177.49 1dm5 h ILE 231 N 0.88 1.28 0.29 0.35 6.09 -1.94 -0.28 117.51 124.18 1dm5 h ILE 231 Ca 0.40 -1.48 -0.01 0.00 -1.37 0.00 0.00 64.86 62.39 1dm5 h ILE 231 Cb 0.29 1.41 0.00 0.00 0.47 0.00 0.00 36.82 39.00 1dm5 h ILE 231 CO -0.22 0.48 -0.14 0.50 -3.07 0.00 0.00 178.15 175.70 1dm5 h LYS 232 N 0.57 -0.38 -0.83 2.19 3.64 -1.47 -0.59 116.57 119.71 1dm5 h LYS 232 Ca 0.06 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.53 1dm5 h LYS 232 Cb 0.85 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.71 1dm5 h LYS 232 CO 0.07 -0.24 0.54 -0.91 -2.27 0.00 0.00 179.45 176.64 1dm5 h ASN 233 N -0.41 0.82 -0.27 4.20 -0.26 -1.23 0.47 115.58 118.89 1dm5 h ASN 233 Ca -0.04 0.00 -0.15 0.00 -0.56 0.00 0.00 56.30 55.55 1dm5 h ASN 233 Cb 0.32 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.39 1dm5 h ASN 233 CO 0.07 0.53 -0.39 1.23 -1.06 0.00 0.00 177.43 177.81 1dm5 h GLY 234 N 0.93 0.90 0.99 2.83 0.00 -0.75 -0.81 103.07 107.16 1dm5 h GLY 234 Ca 0.35 -0.91 -0.11 0.00 0.00 0.00 0.00 47.33 46.66 1dm5 h GLY 234 CO -0.12 0.82 -0.20 1.41 0.00 0.00 0.00 176.54 178.45 1dm5 h LEU 235 N 0.67 0.80 -1.14 3.11 3.38 -0.61 -2.96 115.31 118.56 1dm5 h LEU 235 Ca 0.05 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 1dm5 h LEU 235 Cb 0.96 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 1dm5 h LEU 235 CO 0.09 1.04 0.45 -0.07 0.09 0.00 0.00 178.44 180.04 1dm5 h LEU 236 N 0.56 0.92 -1.13 1.67 3.38 -0.81 -2.55 115.31 117.35 1dm5 h LEU 236 Ca 0.08 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1dm5 h LEU 236 Cb 0.75 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1dm5 h LEU 236 CO 0.06 0.72 0.02 0.00 0.09 0.00 0.00 178.44 179.33 1dm5 h ALA 237 N 1.44 1.29 -0.20 1.53 0.00 -0.99 -0.96 119.26 121.36 1dm5 h ALA 237 Ca 0.27 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1dm5 h ALA 237 Cb -0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1dm5 h ALA 237 CO -0.05 0.48 0.01 0.82 0.00 0.00 0.00 179.25 180.51 1dm5 h ILE 238 N 0.60 1.25 -0.22 0.00 2.04 -1.31 -0.01 117.51 119.86 1dm5 h ILE 238 Ca 0.13 -0.84 0.04 0.00 1.00 0.00 0.00 64.86 65.18 1dm5 h ILE 238 Cb 0.35 1.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 1dm5 h ILE 238 CO 0.01 0.26 -0.01 0.58 0.00 0.00 0.00 178.15 178.99 1dm5 h VAL 239 N 0.12 0.83 -0.47 1.67 2.07 -1.10 -1.80 116.25 117.56 1dm5 h VAL 239 Ca 0.06 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 1dm5 h VAL 239 Cb 0.38 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1dm5 h VAL 239 CO 0.01 0.01 0.16 0.11 0.02 0.00 0.00 177.57 177.88 1dm5 h LYS 240 N 0.06 0.69 0.00 1.57 1.57 -1.14 -1.33 116.57 117.99 1dm5 h LYS 240 Ca 0.11 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1dm5 h LYS 240 Cb 0.14 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1dm5 h LYS 240 CO -0.19 0.59 -0.48 0.66 -0.57 0.00 0.00 179.45 179.46 1dm5 h SER 241 N 0.68 0.00 -0.04 0.86 4.64 -0.43 -0.01 113.55 119.25 1dm5 h SER 241 Ca 0.16 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.38 1dm5 h SER 241 Cb 0.18 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.27 1dm5 h SER 241 CO -0.01 0.48 -0.37 0.58 -0.87 0.00 0.00 176.83 176.64 1dm5 h VAL 242 N 0.00 1.45 -0.01 0.95 2.07 -0.71 -3.21 116.25 116.78 1dm5 h VAL 242 Ca -0.00 -1.85 -0.14 0.00 0.82 0.00 0.00 66.70 65.53 1dm5 h VAL 242 Cb 0.96 2.48 0.01 0.00 -1.52 0.00 0.00 31.29 33.22 1dm5 h VAL 242 CO 0.06 0.53 -0.52 -0.33 0.02 0.00 0.00 177.57 177.33 1dm5 h GLU 243 N -0.22 0.38 -0.92 1.57 4.39 -1.20 -3.45 114.58 115.14 1dm5 h GLU 243 Ca -0.03 -0.39 0.00 0.00 0.34 0.00 0.00 59.36 59.28 1dm5 h GLU 243 Cb 1.05 0.11 -0.20 0.00 -0.10 0.00 0.00 28.75 29.61 1dm5 h GLU 243 CO 0.07 1.06 -0.38 1.21 -1.16 0.00 0.00 179.01 179.81 1dm5 s ASN 244 N -6.65 -1.45 0.37 1.42 3.84 -0.02 -5.02 114.94 107.42 1dm5 s ASN 244 Ca -0.14 -0.32 0.07 0.00 0.21 0.00 0.00 52.86 52.69 1dm5 s ASN 244 Cb 0.03 1.87 0.71 0.00 -0.55 0.00 0.00 41.25 43.32 1dm5 s ASN 244 CO 0.81 -0.21 1.90 -0.09 -2.79 0.00 0.00 177.10 176.72 1dm5 h ARG 245 N 7.31 0.36 -0.30 0.43 2.43 -1.56 -1.79 114.38 121.26 1dm5 h ARG 245 Ca 0.01 -0.08 0.04 0.00 -0.81 0.00 0.00 59.98 59.15 1dm5 h ARG 245 Cb 1.19 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.65 1dm5 h ARG 245 CO 0.10 0.45 0.08 0.74 -1.51 0.00 0.00 179.97 179.82 1dm5 h PHE 246 N 0.34 0.13 -0.64 2.20 0.04 -1.91 -1.71 116.94 115.39 1dm5 h PHE 246 Ca 0.07 0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.79 1dm5 h PHE 246 Cb 0.35 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.46 1dm5 h PHE 246 CO 0.01 0.04 0.12 0.00 -0.60 0.00 0.00 178.31 177.88 1dm5 h ALA 247 N 1.21 1.00 0.21 2.45 0.00 -1.80 0.13 119.26 122.47 1dm5 h ALA 247 Ca 0.14 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1dm5 h ALA 247 Cb 0.14 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1dm5 h ALA 247 CO -0.17 0.64 -0.51 -0.92 0.00 0.00 0.00 179.25 178.29 1dm5 h TYR 248 N 0.97 -1.46 -0.14 0.00 5.03 -0.78 0.61 116.97 121.20 1dm5 h TYR 248 Ca 0.20 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.54 1dm5 h TYR 248 Cb 0.40 0.61 -0.01 0.00 1.55 0.00 0.00 36.73 39.28 1dm5 h TYR 248 CO 0.03 -0.61 0.09 0.74 -1.32 0.00 0.00 178.16 177.09 1dm5 h PHE 249 N -0.80 0.17 -0.45 -3.82 0.04 -1.16 0.93 116.94 111.83 1dm5 h PHE 249 Ca -0.01 0.00 0.09 0.00 2.80 0.00 0.00 57.97 60.85 1dm5 h PHE 249 Cb 0.78 -0.05 -0.10 0.00 2.20 0.00 0.00 35.95 38.78 1dm5 h PHE 249 CO -0.40 0.10 -0.30 0.00 -0.60 0.00 0.00 178.31 177.11 1dm5 h ALA 250 N 1.06 -0.08 -0.85 2.45 0.00 -0.47 0.46 119.26 121.83 1dm5 h ALA 250 Ca 0.05 0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.19 1dm5 h ALA 250 Cb -0.01 0.68 -0.07 0.00 0.00 0.00 0.00 17.79 18.39 1dm5 h ALA 250 CO -0.02 -0.68 0.50 1.49 0.00 0.00 0.00 179.25 180.54 1dm5 h GLU 251 N -0.20 0.82 -0.50 0.00 4.81 0.58 -0.57 114.58 119.51 1dm5 h GLU 251 Ca 0.20 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.26 1dm5 h GLU 251 Cb 0.53 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1dm5 h GLU 251 CO -0.57 0.54 -0.16 0.00 -0.73 0.00 0.00 179.01 178.09 1dm5 h ARG 252 N 0.84 0.99 -0.63 1.92 2.47 0.23 -2.30 114.38 117.90 1dm5 h ARG 252 Ca 0.41 -0.40 0.03 0.00 -1.26 0.00 0.00 59.98 58.76 1dm5 h ARG 252 Cb 0.35 -0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 28.58 1dm5 h ARG 252 CO -0.24 1.07 0.39 -0.07 0.56 0.00 0.00 179.97 181.68 1dm5 h LEU 253 N 0.85 0.63 0.11 3.04 3.38 0.19 0.16 115.31 123.67 1dm5 h LEU 253 Ca 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1dm5 h LEU 253 Cb 0.73 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1dm5 h LEU 253 CO 0.06 0.44 -0.07 -0.74 0.09 0.00 0.00 178.44 178.21 1dm5 h HIS 254 N 0.76 -0.18 -0.43 1.13 2.76 -0.97 -2.77 115.15 115.44 1dm5 h HIS 254 Ca 0.25 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.37 1dm5 h HIS 254 Cb 0.02 0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.03 1dm5 h HIS 254 CO -0.05 -0.11 0.05 1.25 -1.30 0.00 0.00 177.93 177.76 1dm5 h HIS 255 N -0.18 0.69 -0.69 5.26 -0.00 -1.06 -1.77 115.15 117.40 1dm5 h HIS 255 Ca -0.01 -0.07 0.01 0.00 -0.00 0.00 0.00 60.37 60.30 1dm5 h HIS 255 Cb 0.16 -0.20 -0.03 0.00 -0.00 0.00 0.00 27.41 27.33 1dm5 h HIS 255 CO -0.09 0.63 0.46 0.00 -0.00 0.00 0.00 177.93 178.93 1dm5 h ALA 256 N 1.42 1.52 -0.20 5.26 0.00 -0.82 -2.70 119.26 123.74 1dm5 h ALA 256 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1dm5 h ALA 256 Cb 0.33 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1dm5 h ALA 256 CO 0.01 0.44 0.00 -1.33 0.00 0.00 0.00 179.25 178.37 1dm5 n MET 257 N -4.43 1.94 -0.88 0.00 2.81 -0.73 -0.16 117.12 115.66 1dm5 n MET 257 Ca 0.07 -1.40 -0.33 0.00 -1.81 0.00 0.00 57.70 54.24 1dm5 n MET 257 Cb 0.05 -1.43 0.14 0.00 -0.71 0.00 0.00 33.22 31.26 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 0.63 -0.17 0.00 0.03 3.00 -0.80 -4.83 118.16 116.03 1dm5 n LYS 258 Ca 0.17 0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.50 1dm5 n LYS 258 Cb 0.41 -2.25 0.00 0.00 0.00 0.00 0.00 35.03 33.19 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 0.71 0.76 2.59 3.14 0.00 -1.26 -3.88 105.19 107.24 1dm5 n GLY 259 Ca 0.11 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 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 7.66 0.00 0.99 4.77 -1.26 -4.82 117.00 124.34 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 -1.43 0.00 0.00 -2.33 0.00 0.00 43.42 39.66 1dm5 n LEU 260 CO 0.00 1.82 0.00 0.61 -1.33 0.00 0.00 177.39 178.49 1dm5 n GLY 261 N 2.31 3.55 3.51 -0.72 0.00 -1.25 -5.16 105.19 107.42 1dm5 n GLY 261 Ca 0.57 -0.18 -0.34 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.97 3.63 -1.10 2.61 2.01 -1.26 -4.37 115.64 116.19 1dm5 s THR 262 Ca 0.00 -0.48 -0.22 0.00 0.31 0.00 0.00 61.69 61.31 1dm5 s THR 262 Cb 0.00 -2.53 0.03 0.00 0.01 0.00 0.00 72.50 70.01 1dm5 s THR 262 CO 0.00 0.55 1.66 -0.55 -0.69 0.00 0.00 174.62 175.59 1dm5 s SER 263 N -0.15 6.23 0.29 3.53 0.15 0.78 -4.79 113.70 119.75 1dm5 s SER 263 Ca 0.02 -1.64 0.03 0.00 0.70 0.00 0.00 55.95 55.06 1dm5 s SER 263 Cb -0.13 -2.57 0.46 0.00 -1.71 0.00 0.00 66.02 62.06 1dm5 s SER 263 CO 0.03 -1.77 1.75 0.44 1.20 0.00 0.00 173.24 174.89 1dm5 h ASP 264 N 9.39 0.46 -0.35 5.45 3.32 -1.95 -2.08 116.42 130.66 1dm5 h ASP 264 Ca 0.26 -0.14 0.04 0.00 0.02 0.00 0.00 57.03 57.20 1dm5 h ASP 264 Cb 0.96 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.35 1dm5 h ASP 264 CO 1.38 0.69 0.12 0.11 -1.72 0.00 0.00 179.24 179.82 1dm5 h LYS 265 N 0.42 0.26 0.12 3.56 1.57 -1.99 0.12 116.57 120.62 1dm5 h LYS 265 Ca 0.07 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1dm5 h LYS 265 Cb 0.61 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1dm5 h LYS 265 CO 0.04 0.17 -0.06 1.15 -0.57 0.00 0.00 179.45 180.19 1dm5 h THR 266 N 0.27 0.96 -0.16 -0.16 2.02 -1.87 -0.53 112.91 113.44 1dm5 h THR 266 Ca 0.16 -0.30 0.03 0.00 0.77 0.00 0.00 66.41 67.07 1dm5 h THR 266 Cb 0.14 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 1dm5 h THR 266 CO -0.17 0.07 0.01 0.25 0.37 0.00 0.00 175.52 176.05 1dm5 h LEU 267 N -0.29 -0.04 -0.44 2.58 5.85 -1.28 -1.65 115.31 120.03 1dm5 h LEU 267 Ca -0.02 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1dm5 h LEU 267 Cb 0.24 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1dm5 h LEU 267 CO 0.03 0.00 0.23 0.40 -0.34 0.00 0.00 178.44 178.76 1dm5 h ILE 268 N 0.07 1.17 -0.46 4.05 2.04 -0.92 -2.11 117.51 121.35 1dm5 h ILE 268 Ca 0.08 -0.46 -0.00 0.00 1.00 0.00 0.00 64.86 65.47 1dm5 h ILE 268 Cb 0.09 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1dm5 h ILE 268 CO -0.12 0.18 0.27 -0.09 0.00 0.00 0.00 178.15 178.39 1dm5 h ARG 269 N 0.58 0.62 -0.18 2.37 2.43 -0.78 -1.26 114.38 118.16 1dm5 h ARG 269 Ca 0.15 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.16 1dm5 h ARG 269 Cb 0.08 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1dm5 h ARG 269 CO -0.02 0.46 -0.32 0.82 -1.51 0.00 0.00 179.97 179.40 1dm5 h ILE 270 N 0.61 1.34 -0.47 1.20 2.04 -1.27 -0.81 117.51 120.16 1dm5 h ILE 270 Ca 0.16 -1.55 -0.07 0.00 1.00 0.00 0.00 64.86 64.41 1dm5 h ILE 270 Cb 0.00 1.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 1dm5 h ILE 270 CO -0.03 0.47 0.03 -0.07 0.00 0.00 0.00 178.15 178.55 1dm5 h LEU 271 N 0.18 0.78 0.09 1.44 3.38 -1.29 -2.03 115.31 117.86 1dm5 h LEU 271 Ca 0.01 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 1dm5 h LEU 271 Cb 0.90 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1dm5 h LEU 271 CO 0.07 0.87 -0.04 0.58 0.09 0.00 0.00 178.44 180.01 1dm5 h VAL 272 N 0.66 1.14 0.00 1.22 2.07 -1.28 -1.29 116.25 118.77 1dm5 h VAL 272 Ca 0.14 -0.99 -0.04 0.00 0.82 0.00 0.00 66.70 66.63 1dm5 h VAL 272 Cb 0.45 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1dm5 h VAL 272 CO 0.02 0.24 -0.17 0.77 0.02 0.00 0.00 177.57 178.44 1dm5 h SER 273 N -0.59 0.00 -0.23 0.57 4.64 -1.17 -1.40 113.55 115.37 1dm5 h SER 273 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1dm5 h SER 273 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1dm5 h SER 273 CO 0.02 0.17 0.00 0.54 -0.87 0.00 0.00 176.83 176.70 1dm5 n ARG 274 N -3.82 2.20 -0.16 4.77 5.12 -0.76 -4.58 116.66 119.43 1dm5 n ARG 274 Ca -0.02 -2.01 0.14 0.00 -1.93 0.00 0.00 57.85 54.03 1dm5 n ARG 274 Cb 0.28 -1.44 0.49 0.00 -1.16 0.00 0.00 32.46 30.62 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 4.07 0.42 -0.03 0.55 4.64 -0.06 -2.12 113.55 121.03 1dm5 h SER 275 Ca 0.00 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1dm5 h SER 275 Cb 0.90 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.92 1dm5 h SER 275 CO 0.00 0.23 -0.23 -0.62 -0.87 0.00 0.00 176.83 175.33 1dm5 n GLU 276 N -4.48 1.51 0.07 4.77 1.02 -1.26 -1.07 120.64 121.20 1dm5 n GLU 276 Ca 0.13 -2.95 0.00 0.00 -0.02 0.00 0.00 57.16 54.32 1dm5 n GLU 276 Cb 0.48 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 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 -1.25 0.77 -2.07 -3.67 5.41 -1.01 -4.41 119.36 113.15 1dm5 n ILE 277 Ca 0.18 0.26 -0.03 0.00 1.00 0.00 0.00 62.75 64.16 1dm5 n ILE 277 Cb 0.69 -1.27 -0.03 0.00 -0.71 0.00 0.00 39.64 38.32 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 -3.42 -0.31 0.30 4.38 5.68 -1.14 -2.89 116.55 119.17 1dm5 n ASP 278 Ca 0.00 -1.67 0.19 0.00 -0.50 0.00 0.00 54.79 52.82 1dm5 n ASP 278 Cb 0.05 0.07 0.94 0.00 -1.14 0.00 0.00 41.12 41.04 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 0.13 0.00 0.15 -2.12 5.85 -1.09 -0.84 115.31 117.40 1dm5 h LEU 279 Ca -0.28 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 1dm5 h LEU 279 Cb 1.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.37 1dm5 h LEU 279 CO -0.11 0.02 -0.07 0.00 -0.34 0.00 0.00 178.44 177.93 1dm5 h ALA 280 N 1.98 -0.21 -0.74 1.25 0.00 -1.48 -0.85 119.26 119.21 1dm5 h ALA 280 Ca -0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1dm5 h ALA 280 Cb 0.25 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1dm5 h ALA 280 CO 0.00 -0.44 0.31 -0.91 0.00 0.00 0.00 179.25 178.21 1dm5 h ASN 281 N -0.56 0.99 -0.95 0.00 4.21 -1.65 -1.20 115.58 116.43 1dm5 h ASN 281 Ca -0.02 -0.14 0.01 0.00 1.21 0.00 0.00 56.30 57.36 1dm5 h ASN 281 Cb 0.43 -0.26 -0.05 0.00 -1.12 0.00 0.00 38.32 37.32 1dm5 h ASN 281 CO 0.03 0.87 0.62 0.40 -1.29 0.00 0.00 177.43 178.07 1dm5 h ILE 282 N 1.07 1.25 -0.21 2.81 2.04 -1.10 0.25 117.51 123.61 1dm5 h ILE 282 Ca 0.25 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1dm5 h ILE 282 Cb 0.17 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.10 1dm5 h ILE 282 CO -0.02 0.24 0.11 0.11 0.00 0.00 0.00 178.15 178.59 1dm5 h LYS 283 N 1.29 0.30 -0.36 2.37 1.57 -0.65 0.10 116.57 121.19 1dm5 h LYS 283 Ca 0.35 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.13 1dm5 h LYS 283 Cb -0.14 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.07 1dm5 h LYS 283 CO -0.07 0.29 0.13 0.93 -0.57 0.00 0.00 179.45 180.16 1dm5 h GLU 284 N 0.23 0.28 -0.29 3.15 5.08 -0.40 -2.19 114.58 120.44 1dm5 h GLU 284 Ca 0.07 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1dm5 h GLU 284 Cb 0.08 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1dm5 h GLU 284 CO -0.01 0.19 -0.01 1.15 -1.00 0.00 0.00 179.01 179.33 1dm5 h THR 285 N 0.29 1.26 -0.22 1.13 2.02 -0.37 -2.66 112.91 114.36 1dm5 h THR 285 Ca 0.16 -0.95 0.04 0.00 0.77 0.00 0.00 66.41 66.43 1dm5 h THR 285 Cb 0.13 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 1dm5 h THR 285 CO -0.16 0.30 0.15 0.15 0.37 0.00 0.00 175.52 176.33 1dm5 h PHE 286 N 0.29 0.13 0.57 3.16 3.04 -0.83 -0.84 116.94 122.47 1dm5 h PHE 286 Ca 0.08 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.01 1dm5 h PHE 286 Cb 0.44 -0.04 0.01 0.00 2.56 0.00 0.00 35.95 38.91 1dm5 h PHE 286 CO 0.04 0.08 -0.28 0.37 -2.02 0.00 0.00 178.31 176.50 1dm5 h GLN 287 N 0.14 -0.74 -1.09 1.11 5.75 -1.05 -2.12 115.11 117.11 1dm5 h GLN 287 Ca 0.09 0.05 0.31 0.00 -0.15 0.00 0.00 58.65 58.95 1dm5 h GLN 287 Cb 0.21 0.17 -0.11 0.00 1.07 0.00 0.00 27.48 28.82 1dm5 h GLN 287 CO -0.01 -0.49 0.69 0.00 -2.65 0.00 0.00 178.83 176.36 1dm5 h ALA 288 N -1.32 2.25 0.00 3.38 0.00 -1.33 1.51 119.26 123.75 1dm5 h ALA 288 Ca -0.08 0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1dm5 h ALA 288 Cb 0.59 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1dm5 h ALA 288 CO 0.13 -0.74 -0.58 0.52 0.00 0.00 0.00 179.25 178.58 1dm5 h MET 289 N 0.34 0.00 0.00 0.00 2.86 -1.07 -3.37 114.93 113.69 1dm5 h MET 289 Ca 0.67 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.31 1dm5 h MET 289 Cb 1.72 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.38 1dm5 h MET 289 CO -0.38 0.58 0.00 0.66 1.06 0.00 0.00 176.91 178.83 1dm5 n TYR 290 N -3.28 0.00 0.00 -0.22 4.01 -0.24 -5.01 117.16 112.42 1dm5 n TYR 290 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1dm5 n TYR 290 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.78 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 0.32 2.16 3.89 2.72 0.00 0.50 -4.97 105.19 109.81 1dm5 n GLY 291 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 3.42 0.57 1.61 2.20 -1.26 -4.95 119.74 121.33 1dm5 s LYS 292 Ca 0.00 -0.28 -0.19 0.00 -0.36 0.00 0.00 55.97 55.14 1dm5 s LYS 292 Cb 0.00 -3.11 -0.05 0.00 -1.51 0.00 0.00 37.83 33.17 1dm5 s LYS 292 CO 0.00 0.70 1.18 -1.54 -0.36 0.00 0.00 175.35 175.33 1dm5 s SER 293 N -1.69 5.44 0.13 1.43 1.04 -1.26 -4.28 113.70 114.51 1dm5 s SER 293 Ca 0.24 2.30 -0.20 0.00 0.48 0.00 0.00 55.95 58.77 1dm5 s SER 293 Cb -0.12 -2.59 -0.03 0.00 0.10 0.00 0.00 66.02 63.38 1dm5 s SER 293 CO 0.15 -1.42 1.70 0.25 0.98 0.00 0.00 173.24 174.90 1dm5 h LEU 294 N 1.06 -0.22 -0.67 2.42 5.85 -1.87 -1.85 115.31 120.03 1dm5 h LEU 294 Ca -0.50 0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.34 1dm5 h LEU 294 Cb 1.28 0.14 -0.08 0.00 0.37 0.00 0.00 40.66 42.36 1dm5 h LEU 294 CO 0.56 -0.09 -0.44 0.22 -0.34 0.00 0.00 178.44 178.36 1dm5 h TYR 295 N -0.03 -1.40 -0.61 1.25 3.20 -1.83 0.39 116.97 117.95 1dm5 h TYR 295 Ca 0.09 0.09 0.06 0.00 3.14 0.00 0.00 58.73 62.12 1dm5 h TYR 295 Cb 0.17 0.70 -0.04 0.00 1.54 0.00 0.00 36.73 39.10 1dm5 h TYR 295 CO -0.22 -0.29 0.40 0.93 -1.64 0.00 0.00 178.16 177.34 1dm5 h GLU 296 N -0.06 0.57 -0.11 1.82 5.08 -1.87 1.14 114.58 121.15 1dm5 h GLU 296 Ca 0.11 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1dm5 h GLU 296 Cb 0.33 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1dm5 h GLU 296 CO -0.66 0.38 0.06 0.74 -1.00 0.00 0.00 179.01 178.53 1dm5 h PHE 297 N 0.59 0.15 0.06 4.33 0.04 0.44 -1.19 116.94 121.35 1dm5 h PHE 297 Ca 0.26 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.03 1dm5 h PHE 297 Cb 0.29 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.39 1dm5 h PHE 297 CO -0.00 0.17 -0.03 0.82 -0.60 0.00 0.00 178.31 178.67 1dm5 h ILE 298 N 0.09 1.06 -1.00 -0.55 2.04 0.14 -2.04 117.51 117.25 1dm5 h ILE 298 Ca 0.04 -0.37 0.23 0.00 1.00 0.00 0.00 64.86 65.75 1dm5 h ILE 298 Cb 0.07 1.30 -0.12 0.00 -0.74 0.00 0.00 36.82 37.33 1dm5 h ILE 298 CO -0.01 0.09 0.59 0.00 0.00 0.00 0.00 178.15 178.83 1dm5 h ALA 299 N 0.69 1.73 -0.02 1.87 0.00 0.14 0.25 119.26 123.93 1dm5 h ALA 299 Ca -0.01 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1dm5 h ALA 299 Cb 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1dm5 h ALA 299 CO 0.01 -0.20 -0.09 -0.25 0.00 0.00 0.00 179.25 178.73 1dm5 n ASP 300 N -4.86 1.64 -0.02 0.00 9.92 -0.46 -4.04 116.55 118.72 1dm5 n ASP 300 Ca 0.25 -1.43 0.01 0.00 -0.53 0.00 0.00 54.79 53.10 1dm5 n ASP 300 Cb 0.68 0.06 -0.07 0.00 -0.64 0.00 0.00 41.12 41.15 1dm5 n ASP 300 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1dm5 n ASP 301 N 0.14 2.79 -4.64 -2.24 2.03 0.60 -5.03 116.55 110.20 1dm5 n ASP 301 Ca 0.16 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.23 1dm5 n ASP 301 Cb 0.40 1.18 -0.07 0.00 -0.72 0.00 0.00 41.12 41.90 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 -3.45 2.52 0.99 0.00 1.04 -1.26 -4.71 113.70 108.82 1dm5 s SER 303 Ca 0.30 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.55 1dm5 s SER 303 Cb -0.07 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 65.93 1dm5 s SER 303 CO 0.19 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.66 1dm5 n GLY 304 N -0.52 2.84 0.23 7.32 0.00 -1.26 -2.08 105.19 111.72 1dm5 n GLY 304 Ca -0.06 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.48 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 9.82 0.76 -0.28 1.61 5.19 -1.98 -2.10 116.42 129.43 1dm5 h ASP 305 Ca 0.00 -0.38 0.06 0.00 -0.62 0.00 0.00 57.03 56.09 1dm5 h ASP 305 Cb 0.00 -0.22 -0.08 0.00 0.18 0.00 0.00 39.33 39.21 1dm5 h ASP 305 CO 0.00 1.12 -0.39 0.22 -3.12 0.00 0.00 179.24 177.07 1dm5 h TYR 306 N 0.55 -1.11 -0.85 4.55 3.20 -1.91 0.63 116.97 122.03 1dm5 h TYR 306 Ca 0.03 0.06 0.05 0.00 3.14 0.00 0.00 58.73 62.00 1dm5 h TYR 306 Cb 1.05 0.53 -0.06 0.00 1.54 0.00 0.00 36.73 39.79 1dm5 h TYR 306 CO 0.05 -0.43 0.53 -0.22 -1.64 0.00 0.00 178.16 176.45 1dm5 h LYS 307 N -0.37 0.97 -0.60 1.82 3.64 -1.29 -0.08 116.57 120.65 1dm5 h LYS 307 Ca 0.12 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.36 1dm5 h LYS 307 Cb 0.58 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1dm5 h LYS 307 CO -0.48 0.64 0.05 0.22 -2.27 0.00 0.00 179.45 177.60 1dm5 h ASP 308 N 0.99 0.97 -0.28 4.20 -0.00 -0.52 0.58 116.42 122.36 1dm5 h ASP 308 Ca 0.36 -0.24 -0.11 0.00 -0.00 0.00 0.00 57.03 57.04 1dm5 h ASP 308 Cb 0.10 -0.26 -0.01 0.00 -0.00 0.00 0.00 39.33 39.17 1dm5 h ASP 308 CO -0.15 1.00 -0.23 0.25 -0.00 0.00 0.00 179.24 180.10 1dm5 h LEU 309 N 0.93 0.70 -0.46 2.28 5.85 0.95 -2.17 115.31 123.40 1dm5 h LEU 309 Ca 0.18 -0.45 -0.02 0.00 0.84 0.00 0.00 57.88 58.42 1dm5 h LEU 309 Cb 0.47 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1dm5 h LEU 309 CO 0.02 1.00 0.20 -0.07 -0.34 0.00 0.00 178.44 179.26 1dm5 h LEU 310 N 0.40 0.62 -0.75 2.25 4.07 -0.82 -2.09 115.31 118.98 1dm5 h LEU 310 Ca 0.05 -0.15 0.11 0.00 0.08 0.00 0.00 57.88 57.97 1dm5 h LEU 310 Cb 0.79 -0.16 -0.08 0.00 1.08 0.00 0.00 40.66 42.29 1dm5 h LEU 310 CO 0.06 0.59 0.37 -0.07 -1.08 0.00 0.00 178.44 178.32 1dm5 h LEU 311 N 0.60 0.48 -0.53 1.67 3.38 -0.84 -1.69 115.31 118.37 1dm5 h LEU 311 Ca 0.16 0.07 -0.15 0.00 0.09 0.00 0.00 57.88 58.04 1dm5 h LEU 311 Cb 0.15 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1dm5 h LEU 311 CO -0.02 0.25 -0.72 1.56 0.09 0.00 0.00 178.44 179.60 1dm5 h GLN 312 N 0.61 0.00 -0.10 1.13 4.20 -0.93 -1.72 115.11 118.30 1dm5 h GLN 312 Ca 0.38 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 59.04 1dm5 h GLN 312 Cb 0.44 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.22 1dm5 h GLN 312 CO -0.29 0.72 -0.15 0.82 -0.67 0.00 0.00 178.83 179.26 1dm5 h ILE 313 N 0.00 1.38 0.46 2.54 2.04 -1.02 -3.36 117.51 119.55 1dm5 h ILE 313 Ca -0.01 -1.38 -0.02 0.00 1.00 0.00 0.00 64.86 64.45 1dm5 h ILE 313 Cb 1.29 2.05 0.00 0.00 -0.74 0.00 0.00 36.82 39.43 1dm5 h ILE 313 CO 0.09 0.39 -0.22 0.74 0.00 0.00 0.00 178.15 179.16 1dm5 h THR 314 N -0.16 0.54 0.00 -0.27 2.02 -1.22 -3.40 112.91 110.42 1dm5 h THR 314 Ca 0.01 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1dm5 h THR 314 Cb 0.70 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1dm5 h THR 314 CO 0.03 0.02 0.00 0.61 0.37 0.00 0.00 175.52 176.55 1dm5 n GLY 315 N -1.17 1.42 0.00 2.16 0.00 -0.66 -4.82 105.19 102.13 1dm5 n GLY 315 Ca -0.11 -1.86 0.11 0.00 0.00 0.00 0.00 46.02 44.16 1dm5 n GLY 315 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74