#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 4.99 0.21 1.55 -7.23 -1.26 -4.77 120.40 113.88 1dm5 s VAL 3 Ca 0.00 1.21 -0.22 0.00 -1.81 0.00 0.00 61.98 61.16 1dm5 s VAL 3 Cb 0.00 -3.96 0.05 0.00 0.56 0.00 0.00 36.38 33.03 1dm5 s VAL 3 CO 0.00 0.06 0.67 0.00 -0.31 0.00 0.00 175.10 175.52 1dm5 s GLN 4 N 2.20 1.49 0.00 4.82 -2.07 -1.15 -4.94 119.66 120.00 1dm5 s GLN 4 Ca 0.29 -0.69 0.00 0.00 -1.82 0.00 0.00 55.36 53.13 1dm5 s GLN 4 Cb -0.16 0.59 0.00 0.00 -1.09 0.00 0.00 33.01 32.35 1dm5 s GLN 4 CO 0.09 -0.67 0.00 0.41 -1.32 0.00 0.00 175.29 173.81 1dm5 n GLY 5 N -0.41 0.35 0.02 2.60 0.00 -1.12 -2.25 105.19 104.38 1dm5 n GLY 5 Ca -0.11 -1.86 0.02 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.93 0.00 -4.10 2.61 -2.24 0.85 -4.30 114.28 106.17 1dm5 n THR 6 Ca 0.00 -0.40 -0.35 0.00 -2.27 0.00 0.00 64.05 61.03 1dm5 n THR 6 Cb 0.00 1.01 -0.13 0.00 -2.10 0.00 0.00 70.33 69.11 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 -1.35 3.83 0.10 2.28 1.01 -0.74 -4.95 120.40 120.58 1dm5 s VAL 7 Ca 0.02 -0.36 0.09 0.00 0.00 0.00 0.00 61.98 61.73 1dm5 s VAL 7 Cb 0.04 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 1dm5 s VAL 7 CO 0.18 0.44 -0.23 -0.54 0.00 0.00 0.00 175.10 174.94 1dm5 s LYS 8 N 1.00 1.30 0.31 2.72 -0.14 -1.26 -4.75 119.74 118.93 1dm5 s LYS 8 Ca 0.01 -1.19 -0.29 0.00 -1.36 0.00 0.00 55.97 53.14 1dm5 s LYS 8 Cb -0.14 -1.62 -0.12 0.00 -1.68 0.00 0.00 37.83 34.26 1dm5 s LYS 8 CO 0.01 0.39 1.39 -2.30 -0.76 0.00 0.00 175.35 174.08 1dm5 n PRO 9 N 1.19 2.25 -2.30 -1.68 -0.02 -1.26 -4.25 135.00 128.93 1dm5 n PRO 9 Ca -0.18 0.79 -0.41 0.00 -2.02 0.00 0.00 63.50 61.68 1dm5 n PRO 9 Cb 0.53 -2.44 -0.03 0.00 -0.02 0.00 0.00 33.50 31.54 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 -0.66 3.34 0.92 6.00 2.46 -1.25 -4.92 115.29 121.19 1dm5 s HIS 10 Ca 0.60 1.33 -0.10 0.00 0.47 0.00 0.00 55.06 57.35 1dm5 s HIS 10 Cb -0.57 -3.51 0.15 0.00 -0.13 0.00 0.00 32.58 28.52 1dm5 s HIS 10 CO 0.57 -1.52 1.13 0.00 -2.47 0.00 0.00 174.74 172.45 1dm5 s ALA 11 N 0.04 1.39 -1.46 1.58 0.00 -1.26 -3.54 121.76 118.51 1dm5 s ALA 11 Ca 0.55 0.46 -0.01 0.00 0.00 0.00 0.00 51.96 52.96 1dm5 s ALA 11 Cb -0.34 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1dm5 s ALA 11 CO 0.37 -2.73 0.25 0.43 0.00 0.00 0.00 175.76 174.08 1dm5 n SER 12 N -4.20 0.06 -4.71 0.00 7.64 -1.26 -4.81 113.62 106.33 1dm5 n SER 12 Ca 0.11 -1.14 -0.42 0.00 1.01 0.00 0.00 58.87 58.43 1dm5 n SER 12 Cb 0.52 -2.38 -0.03 0.00 -1.01 0.00 0.00 64.21 61.32 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 -4.13 3.25 -0.24 1.43 5.36 -1.23 -5.01 117.98 117.41 1dm5 s PHE 13 Ca 0.02 1.04 -0.03 0.00 -0.96 0.00 0.00 56.93 57.01 1dm5 s PHE 13 Cb -0.01 -3.60 0.08 0.00 -0.34 0.00 0.00 43.02 39.15 1dm5 s PHE 13 CO 0.94 -2.05 0.08 1.21 -1.46 0.00 0.00 175.22 173.94 1dm5 s ASN 14 N 1.19 3.31 0.14 6.13 3.84 -1.26 -5.01 114.94 123.28 1dm5 s ASN 14 Ca 0.63 -1.13 -0.10 0.00 0.21 0.00 0.00 52.86 52.46 1dm5 s ASN 14 Cb -0.34 -0.59 -0.05 0.00 -0.55 0.00 0.00 41.25 39.72 1dm5 s ASN 14 CO 0.29 -0.37 1.43 0.77 -2.79 0.00 0.00 177.10 176.44 1dm5 h SER 15 N 8.25 0.94 -0.31 -4.21 4.64 -1.93 -0.74 113.55 120.18 1dm5 h SER 15 Ca -0.16 -0.49 0.05 0.00 -0.47 0.00 0.00 61.79 60.71 1dm5 h SER 15 Cb 1.07 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 62.85 1dm5 h SER 15 CO 0.39 1.28 0.05 -0.09 -0.87 0.00 0.00 176.83 177.60 1dm5 h ARG 16 N 0.66 0.15 -0.26 4.77 2.43 -1.93 0.53 114.38 120.73 1dm5 h ARG 16 Ca 0.02 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1dm5 h ARG 16 Cb 1.12 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 1dm5 h ARG 16 CO 0.12 0.10 0.15 0.93 -1.51 0.00 0.00 179.97 179.75 1dm5 h GLU 17 N 0.16 0.36 -0.69 0.20 5.08 -1.95 -1.13 114.58 116.61 1dm5 h GLU 17 Ca 0.15 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.52 1dm5 h GLU 17 Cb 0.17 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 1dm5 h GLU 17 CO -0.20 0.32 0.40 -0.44 -1.00 0.00 0.00 179.01 178.08 1dm5 h ASP 18 N 0.31 0.61 -0.84 1.42 3.32 -0.45 0.11 116.42 120.91 1dm5 h ASP 18 Ca 0.09 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 1dm5 h ASP 18 Cb 0.06 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 1dm5 h ASP 18 CO -0.02 0.40 0.51 0.00 -1.72 0.00 0.00 179.24 178.42 1dm5 h ALA 19 N 1.34 1.31 -0.14 3.45 0.00 0.41 -1.25 119.26 124.38 1dm5 h ALA 19 Ca 0.30 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1dm5 h ALA 19 Cb 0.14 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1dm5 h ALA 19 CO -0.16 0.60 -0.24 0.93 0.00 0.00 0.00 179.25 180.37 1dm5 h GLU 20 N 1.16 0.25 -0.59 0.00 4.39 0.38 -1.67 114.58 118.51 1dm5 h GLU 20 Ca 0.30 -0.08 -0.08 0.00 0.34 0.00 0.00 59.36 59.85 1dm5 h GLU 20 Cb -0.06 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 1dm5 h GLU 20 CO -0.06 0.48 0.05 1.15 -1.16 0.00 0.00 179.01 179.47 1dm5 h THR 21 N 0.22 1.26 -0.26 1.13 2.02 0.23 -2.13 112.91 115.38 1dm5 h THR 21 Ca 0.04 -1.04 -0.16 0.00 0.77 0.00 0.00 66.41 66.01 1dm5 h THR 21 Cb 0.55 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1dm5 h THR 21 CO 0.04 0.38 -0.47 -0.07 0.37 0.00 0.00 175.52 175.77 1dm5 h LEU 22 N 0.91 0.87 -0.23 2.58 3.38 -0.81 -2.38 115.31 119.64 1dm5 h LEU 22 Ca 0.18 -0.53 0.03 0.00 0.09 0.00 0.00 57.88 57.64 1dm5 h LEU 22 Cb 0.46 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1dm5 h LEU 22 CO 0.02 1.24 0.06 -0.09 0.09 0.00 0.00 178.44 179.76 1dm5 h ARG 23 N 0.53 0.16 -0.81 1.13 1.12 -1.21 -2.34 114.38 112.95 1dm5 h ARG 23 Ca 0.01 -0.01 0.05 0.00 -1.11 0.00 0.00 59.98 58.93 1dm5 h ARG 23 Cb 1.08 -0.04 -0.05 0.00 -0.01 0.00 0.00 29.97 30.95 1dm5 h ARG 23 CO 0.11 0.11 0.53 -0.22 -3.11 0.00 0.00 179.97 177.38 1dm5 h LYS 24 N 0.16 0.91 0.00 0.20 3.64 -1.34 0.15 116.57 120.30 1dm5 h LYS 24 Ca 0.10 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1dm5 h LYS 24 Cb 0.08 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 1dm5 h LYS 24 CO -0.12 0.60 0.00 0.00 -2.27 0.00 0.00 179.45 177.67 1dm5 n ALA 25 N -2.42 1.98 0.21 5.00 0.00 -0.90 -3.16 120.51 121.23 1dm5 n ALA 25 Ca 0.11 -0.06 0.05 0.00 0.00 0.00 0.00 53.44 53.54 1dm5 n ALA 25 Cb 0.17 -1.36 -0.07 0.00 0.00 0.00 0.00 19.45 18.19 1dm5 n ALA 25 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1dm5 n MET 26 N -1.61 1.94 -2.91 0.00 2.81 -0.60 0.11 117.12 116.86 1dm5 n MET 26 Ca 0.05 -0.05 -0.38 0.00 -1.81 0.00 0.00 57.70 55.51 1dm5 n MET 26 Cb 0.26 -1.11 -0.06 0.00 -0.71 0.00 0.00 33.22 31.61 1dm5 n MET 26 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1dm5 s LYS 27 N -2.33 4.56 3.31 0.03 2.20 -0.06 -4.82 119.74 122.63 1dm5 s LYS 27 Ca -0.00 1.20 0.00 0.00 -0.36 0.00 0.00 55.97 56.81 1dm5 s LYS 27 Cb 0.07 -3.07 0.00 0.00 -1.51 0.00 0.00 37.83 33.32 1dm5 s LYS 27 CO 0.41 0.45 0.00 0.41 -0.36 0.00 0.00 175.35 176.26 1dm5 n GLY 28 N 1.12 -0.15 3.65 5.54 0.00 -1.26 -4.80 105.19 109.29 1dm5 n GLY 28 Ca -0.02 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 1dm5 n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dm5 s ILE 29 N 0.00 3.22 0.00 -0.61 1.01 -1.26 -4.79 121.20 118.78 1dm5 s ILE 29 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.91 1dm5 s ILE 29 Cb 0.00 -3.20 0.00 0.00 0.01 0.00 0.00 42.46 39.27 1dm5 s ILE 29 CO 0.00 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.49 1dm5 n GLY 30 N 4.69 0.56 2.89 6.18 0.00 -1.26 -4.92 105.19 113.34 1dm5 n GLY 30 Ca 0.21 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 -0.02 -1.16 2.61 2.01 -1.26 -4.55 115.64 113.27 1dm5 s THR 31 Ca 0.00 0.07 -0.08 0.00 0.31 0.00 0.00 61.69 61.98 1dm5 s THR 31 Cb 0.00 -0.10 0.24 0.00 0.01 0.00 0.00 72.50 72.65 1dm5 s THR 31 CO 0.00 0.03 1.47 -0.67 -0.69 0.00 0.00 174.62 174.75 1dm5 n ASP 32 N 3.43 5.67 -0.06 3.53 4.64 0.31 -4.81 116.55 129.27 1dm5 n ASP 32 Ca -0.17 -3.17 0.12 0.00 -1.38 0.00 0.00 54.79 50.19 1dm5 n ASP 32 Cb 0.57 -1.40 0.51 0.00 -1.04 0.00 0.00 41.12 39.75 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 6.13 0.37 -0.69 -0.67 3.07 -1.98 -0.62 114.58 120.19 1dm5 h GLU 33 Ca 0.26 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 59.07 1dm5 h GLU 33 Cb 0.73 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.53 1dm5 h GLU 33 CO 1.30 0.25 0.33 0.87 -1.40 0.00 0.00 179.01 180.36 1dm5 h LYS 34 N 0.38 0.99 -0.00 2.33 1.57 -1.98 -0.52 116.57 119.34 1dm5 h LYS 34 Ca 0.26 -0.13 -0.16 0.00 -1.87 0.00 0.00 60.65 58.74 1dm5 h LYS 34 Cb 0.50 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1dm5 h LYS 34 CO -0.07 0.76 -0.77 1.03 -0.57 0.00 0.00 179.45 179.84 1dm5 h SER 35 N 0.98 0.01 -0.23 0.86 0.87 -1.54 -2.72 113.55 111.78 1dm5 h SER 35 Ca 0.24 -0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.67 1dm5 h SER 35 Cb 0.10 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1dm5 h SER 35 CO -0.03 0.78 -0.33 0.40 -0.53 0.00 0.00 176.83 177.12 1dm5 h ILE 36 N 0.01 1.32 -0.70 2.23 2.04 -0.65 -2.59 117.51 119.16 1dm5 h ILE 36 Ca -0.01 -1.54 0.06 0.00 1.00 0.00 0.00 64.86 64.38 1dm5 h ILE 36 Cb 1.36 1.77 -0.06 0.00 -0.74 0.00 0.00 36.82 39.15 1dm5 h ILE 36 CO 0.10 0.48 0.39 0.74 0.00 0.00 0.00 178.15 179.87 1dm5 h THR 37 N 0.32 0.96 -0.62 -0.27 2.02 -1.16 -1.44 112.91 112.72 1dm5 h THR 37 Ca 0.02 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 1dm5 h THR 37 Cb 0.92 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 1dm5 h THR 37 CO 0.08 0.13 0.35 -0.74 0.37 0.00 0.00 175.52 175.71 1dm5 h HIS 38 N 0.72 0.85 -0.18 3.16 -0.00 -1.40 0.30 115.15 118.59 1dm5 h HIS 38 Ca 0.32 -0.02 -0.16 0.00 -0.00 0.00 0.00 60.37 60.51 1dm5 h HIS 38 Cb 0.21 -0.27 0.00 0.00 -0.00 0.00 0.00 27.41 27.36 1dm5 h HIS 38 CO -0.07 0.60 -0.53 0.82 -0.00 0.00 0.00 177.93 178.75 1dm5 h ILE 39 N 0.84 1.32 -0.42 6.26 1.08 -1.03 -2.48 117.51 123.07 1dm5 h ILE 39 Ca 0.22 -1.77 -0.05 0.00 -0.39 0.00 0.00 64.86 62.87 1dm5 h ILE 39 Cb 0.03 1.95 -0.02 0.00 -3.07 0.00 0.00 36.82 35.71 1dm5 h ILE 39 CO -0.04 0.55 0.07 -0.07 -0.69 0.00 0.00 178.15 177.98 1dm5 h LEU 40 N 0.36 0.67 -0.38 1.44 3.38 -1.15 -2.85 115.31 116.77 1dm5 h LEU 40 Ca -0.02 -0.26 -0.09 0.00 0.09 0.00 0.00 57.88 57.61 1dm5 h LEU 40 Cb 1.15 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1dm5 h LEU 40 CO 0.11 0.76 -0.41 0.00 0.09 0.00 0.00 178.44 178.99 1dm5 h ALA 41 N 0.94 0.81 -0.25 1.53 0.00 -0.98 -3.31 119.26 118.00 1dm5 h ALA 41 Ca 0.13 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1dm5 h ALA 41 Cb 0.37 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1dm5 h ALA 41 CO 0.01 0.51 0.00 0.25 0.00 0.00 0.00 179.25 180.02 1dm5 n THR 42 N -3.30 0.70 -4.22 0.00 -2.24 -0.94 -4.70 114.28 99.58 1dm5 n THR 42 Ca 0.01 -0.85 -0.26 0.00 -2.27 0.00 0.00 64.05 60.69 1dm5 n THR 42 Cb 0.63 0.72 -0.08 0.00 -2.10 0.00 0.00 70.33 69.51 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 -0.98 2.40 0.63 -0.78 3.00 -1.08 -3.95 118.95 118.18 1dm5 s ARG 43 Ca 0.21 -1.15 -0.05 0.00 0.00 0.00 0.00 55.73 54.73 1dm5 s ARG 43 Cb 0.11 -2.33 0.03 0.00 0.00 0.00 0.00 34.95 32.76 1dm5 s ARG 43 CO 0.16 0.44 0.93 -1.54 0.00 0.00 0.00 175.30 175.28 1dm5 s SER 44 N -3.06 5.25 0.14 0.23 1.04 -1.26 -4.85 113.70 111.18 1dm5 s SER 44 Ca 0.28 0.52 -0.21 0.00 0.48 0.00 0.00 55.95 57.02 1dm5 s SER 44 Cb -0.09 -1.37 0.00 0.00 0.10 0.00 0.00 66.02 64.66 1dm5 s SER 44 CO 0.19 -1.28 1.67 -1.13 0.98 0.00 0.00 173.24 173.67 1dm5 h ASN 45 N -0.31 -0.41 -0.78 7.02 -0.73 -1.93 0.28 115.58 118.71 1dm5 h ASN 45 Ca -0.45 0.09 0.08 0.00 1.87 0.00 0.00 56.30 57.89 1dm5 h ASN 45 Cb 1.28 0.22 -0.05 0.00 0.27 0.00 0.00 38.32 40.04 1dm5 h ASN 45 CO 0.60 -0.16 0.51 0.00 -0.37 0.00 0.00 177.43 178.00 1dm5 h ALA 46 N 1.03 1.69 -0.31 1.57 0.00 -1.97 0.07 119.26 121.33 1dm5 h ALA 46 Ca 0.11 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1dm5 h ALA 46 Cb 0.29 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1dm5 h ALA 46 CO -0.27 0.17 -0.41 1.96 0.00 0.00 0.00 179.25 180.71 1dm5 h GLN 47 N 0.80 0.76 -0.06 0.00 4.20 -1.58 -2.48 115.11 116.76 1dm5 h GLN 47 Ca 0.35 -0.40 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 1dm5 h GLN 47 Cb 0.32 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 1dm5 h GLN 47 CO -0.13 1.03 0.02 0.00 -0.67 0.00 0.00 178.83 179.08 1dm5 h ARG 48 N 0.62 0.07 -0.05 1.46 3.08 0.11 -0.42 114.38 119.26 1dm5 h ARG 48 Ca 0.05 -0.01 -0.17 0.00 0.07 0.00 0.00 59.98 59.92 1dm5 h ARG 48 Cb 0.96 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.99 1dm5 h ARG 48 CO 0.09 0.06 -0.71 1.96 -1.07 0.00 0.00 179.97 180.30 1dm5 h GLN 49 N 0.08 0.27 0.00 0.04 1.08 -0.59 -0.28 115.11 115.71 1dm5 h GLN 49 Ca 0.02 -0.22 -0.22 0.00 -1.45 0.00 0.00 58.65 56.78 1dm5 h GLN 49 Cb 0.02 0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.49 1dm5 h GLN 49 CO -0.00 0.87 -0.92 1.96 -0.95 0.00 0.00 178.83 179.79 1dm5 h GLN 50 N 0.19 0.34 -0.86 1.46 4.20 -1.17 -2.13 115.11 117.14 1dm5 h GLN 50 Ca -0.02 -0.37 0.00 0.00 0.06 0.00 0.00 58.65 58.32 1dm5 h GLN 50 Cb 1.27 0.11 -0.04 0.00 0.30 0.00 0.00 27.48 29.11 1dm5 h GLN 50 CO 0.11 1.06 0.55 0.82 -0.67 0.00 0.00 178.83 180.71 1dm5 h ILE 51 N 0.19 1.23 -0.16 2.54 2.04 -0.88 -0.82 117.51 121.64 1dm5 h ILE 51 Ca -0.07 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 1dm5 h ILE 51 Cb 1.56 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 1dm5 h ILE 51 CO 0.15 0.22 0.05 0.11 0.00 0.00 0.00 178.15 178.69 1dm5 h LYS 52 N 1.17 0.25 -0.97 2.37 1.57 -0.90 -0.75 116.57 119.32 1dm5 h LYS 52 Ca 0.31 -0.05 0.06 0.00 -1.87 0.00 0.00 60.65 59.10 1dm5 h LYS 52 Cb -0.11 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.10 1dm5 h LYS 52 CO -0.06 0.36 0.62 1.15 -0.57 0.00 0.00 179.45 180.95 1dm5 h THR 53 N 0.09 1.11 -0.04 -0.16 2.02 -1.19 -2.05 112.91 112.68 1dm5 h THR 53 Ca 0.05 -0.40 -0.19 0.00 0.77 0.00 0.00 66.41 66.64 1dm5 h THR 53 Cb 0.21 -0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.46 1dm5 h THR 53 CO -0.00 0.21 -0.80 0.44 0.37 0.00 0.00 175.52 175.74 1dm5 h ASP 54 N 1.16 0.42 -0.61 4.18 3.45 -0.86 -1.75 116.42 122.42 1dm5 h ASP 54 Ca 0.41 -0.30 -0.04 0.00 0.43 0.00 0.00 57.03 57.53 1dm5 h ASP 54 Cb 0.11 -0.13 -0.03 0.00 -0.56 0.00 0.00 39.33 38.73 1dm5 h ASP 54 CO -0.16 1.06 0.24 0.22 -1.57 0.00 0.00 179.24 179.03 1dm5 h TYR 55 N 0.22 0.93 -0.35 4.55 5.03 -0.65 0.15 116.97 126.85 1dm5 h TYR 55 Ca -0.04 -0.07 -0.13 0.00 2.58 0.00 0.00 58.73 61.07 1dm5 h TYR 55 Cb 1.40 -0.28 -0.01 0.00 1.55 0.00 0.00 36.73 39.39 1dm5 h TYR 55 CO 0.04 0.74 -0.30 1.15 -1.32 0.00 0.00 178.16 178.47 1dm5 h THR 56 N 0.85 1.28 -0.34 1.81 2.02 -1.31 0.55 112.91 117.76 1dm5 h THR 56 Ca 0.20 -1.45 -0.09 0.00 0.77 0.00 0.00 66.41 65.85 1dm5 h THR 56 Cb 0.21 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1dm5 h THR 56 CO -0.02 0.48 -0.14 0.74 0.37 0.00 0.00 175.52 176.95 1dm5 h THR 57 N 0.64 1.29 -0.36 3.16 2.02 -1.12 0.47 112.91 119.02 1dm5 h THR 57 Ca 0.07 -1.25 -0.02 0.00 0.77 0.00 0.00 66.41 65.99 1dm5 h THR 57 Cb 0.83 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 1dm5 h THR 57 CO 0.07 0.41 0.16 -0.07 0.37 0.00 0.00 175.52 176.46 1dm5 h LEU 58 N 0.48 0.48 0.00 2.58 3.38 -0.31 -3.38 115.31 118.53 1dm5 h LEU 58 Ca 0.08 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1dm5 h LEU 58 Cb 0.67 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1dm5 h LEU 58 CO 0.05 0.48 -0.51 0.49 0.09 0.00 0.00 178.44 179.04 1dm5 n PHE 59 N -4.71 0.00 -1.09 1.13 3.72 0.19 -5.02 117.46 111.68 1dm5 n PHE 59 Ca -0.01 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.36 1dm5 n PHE 59 Cb 0.12 -0.02 -0.01 0.00 -0.94 0.00 0.00 39.48 38.62 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 1.56 0.62 3.08 1.37 0.00 0.17 -5.02 105.19 106.96 1dm5 n GLY 60 Ca 0.00 -0.65 -0.14 0.00 0.00 0.00 0.00 46.02 45.23 1dm5 n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dm5 s LYS 61 N -1.81 0.58 0.19 1.61 1.02 -1.26 -5.07 119.74 114.99 1dm5 s LYS 61 Ca 0.00 -0.78 -0.28 0.00 0.02 0.00 0.00 55.97 54.93 1dm5 s LYS 61 Cb 0.00 -0.39 -0.08 0.00 -0.52 0.00 0.00 37.83 36.84 1dm5 s LYS 61 CO 0.00 0.08 0.86 -1.01 -0.92 0.00 0.00 175.35 174.36 1dm5 s HIS 62 N -1.33 3.93 0.27 3.18 3.76 -1.26 -3.90 115.29 119.94 1dm5 s HIS 62 Ca -0.08 1.76 -0.00 0.00 -0.15 0.00 0.00 55.06 56.59 1dm5 s HIS 62 Cb -0.10 -2.89 0.60 0.00 1.11 0.00 0.00 32.58 31.31 1dm5 s HIS 62 CO 0.01 0.45 1.71 1.25 -0.85 0.00 0.00 174.74 177.30 1dm5 h LEU 63 N 4.43 0.26 -0.95 0.89 6.46 -1.92 0.72 115.31 125.20 1dm5 h LEU 63 Ca -0.46 0.14 0.06 0.00 -0.12 0.00 0.00 57.88 57.50 1dm5 h LEU 63 Cb 1.20 0.13 -0.06 0.00 -0.73 0.00 0.00 40.66 41.20 1dm5 h LEU 63 CO 0.68 0.03 0.61 -0.33 -0.62 0.00 0.00 178.44 178.81 1dm5 h GLU 64 N 0.40 1.10 -0.01 1.25 3.07 -1.97 -1.32 114.58 117.10 1dm5 h GLU 64 Ca 0.49 -0.07 -0.10 0.00 -0.50 0.00 0.00 59.36 59.19 1dm5 h GLU 64 Cb 0.86 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 28.51 1dm5 h GLU 64 CO -0.49 0.73 -0.47 -0.44 -1.40 0.00 0.00 179.01 176.93 1dm5 h ASP 65 N 1.13 0.02 -0.15 1.42 3.32 -1.29 -1.50 116.42 119.36 1dm5 h ASP 65 Ca 0.40 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.41 1dm5 h ASP 65 Cb 0.12 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 1dm5 h ASP 65 CO -0.16 0.49 -0.05 -0.33 -1.72 0.00 0.00 179.24 177.47 1dm5 h GLU 66 N 0.01 0.31 -0.46 3.56 4.39 -0.42 -3.11 114.58 118.86 1dm5 h GLU 66 Ca -0.00 -0.12 -0.08 0.00 0.34 0.00 0.00 59.36 59.50 1dm5 h GLU 66 Cb 0.84 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.46 1dm5 h GLU 66 CO 0.06 0.60 -0.03 -0.07 -1.16 0.00 0.00 179.01 178.41 1dm5 h LEU 67 N -0.00 0.75 -1.92 1.33 3.38 -0.86 0.22 115.31 118.20 1dm5 h LEU 67 Ca 0.04 -0.19 0.14 0.00 0.09 0.00 0.00 57.88 57.96 1dm5 h LEU 67 Cb 0.49 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1dm5 h LEU 67 CO 0.02 0.84 0.38 0.11 0.09 0.00 0.00 178.44 179.87 1dm5 h LYS 68 N 0.72 0.08 0.06 1.13 1.57 -1.33 0.60 116.57 119.40 1dm5 h LYS 68 Ca 0.14 -0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.54 1dm5 h LYS 68 Cb 0.49 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 1dm5 h LYS 68 CO 0.02 0.05 -2.15 0.45 -0.57 0.00 0.00 179.45 177.26 1dm5 n SER 69 N -4.41 2.04 0.09 0.86 2.88 -0.66 -4.56 113.62 109.87 1dm5 n SER 69 Ca 0.10 0.11 -0.03 0.00 -1.33 0.00 0.00 58.87 57.72 1dm5 n SER 69 Cb 0.55 -0.71 -0.06 0.00 -0.75 0.00 0.00 64.21 63.24 1dm5 n SER 69 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1dm5 h GLU 70 N -0.12 0.00 -6.17 -1.46 4.39 -0.28 -3.46 114.58 107.47 1dm5 h GLU 70 Ca -0.49 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 58.68 1dm5 h GLU 70 Cb 1.90 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 30.48 1dm5 h GLU 70 CO -0.04 0.78 -0.55 -0.51 -1.16 0.00 0.00 179.01 177.53 1dm5 s LEU 71 N -6.59 3.47 0.24 1.33 1.43 0.21 -5.04 118.68 113.72 1dm5 s LEU 71 Ca 0.02 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 1dm5 s LEU 71 Cb 0.09 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 1dm5 s LEU 71 CO 0.79 -0.14 0.17 -0.94 0.23 0.00 0.00 176.35 176.46 1dm5 s SER 72 N -3.82 0.58 0.75 2.29 1.04 -1.26 -4.70 113.70 108.58 1dm5 s SER 72 Ca 0.35 -1.49 0.00 0.00 0.48 0.00 0.00 55.95 55.29 1dm5 s SER 72 Cb -0.06 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1dm5 s SER 72 CO 0.23 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 174.16 1dm5 n GLY 73 N -0.37 0.92 0.35 7.32 0.00 -1.26 -1.17 105.19 110.98 1dm5 n GLY 73 Ca 0.03 -0.71 0.10 0.00 0.00 0.00 0.00 46.02 45.45 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 3.75 0.44 -0.46 1.61 2.35 -2.00 -1.46 115.58 119.82 1dm5 h ASN 74 Ca 0.00 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 1dm5 h ASN 74 Cb 0.00 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 1dm5 h ASN 74 CO 0.00 0.27 0.25 0.22 -1.65 0.00 0.00 177.43 176.53 1dm5 h TYR 75 N 0.50 0.62 -0.27 1.19 5.03 -1.90 0.40 116.97 122.54 1dm5 h TYR 75 Ca 0.28 -0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.59 1dm5 h TYR 75 Cb 0.43 -0.20 -0.02 0.00 1.55 0.00 0.00 36.73 38.49 1dm5 h TYR 75 CO -0.00 0.47 0.13 1.49 -1.32 0.00 0.00 178.16 178.93 1dm5 h GLU 76 N 0.60 0.27 -0.35 1.82 4.81 -0.12 -2.37 114.58 119.24 1dm5 h GLU 76 Ca 0.16 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.40 1dm5 h GLU 76 Cb 0.05 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 1dm5 h GLU 76 CO -0.03 0.18 0.17 0.00 -0.73 0.00 0.00 179.01 178.61 1dm5 h ALA 77 N 1.14 0.43 -0.28 2.92 0.00 -0.80 -1.70 119.26 120.97 1dm5 h ALA 77 Ca 0.11 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1dm5 h ALA 77 Cb 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1dm5 h ALA 77 CO -0.08 -0.20 -0.12 0.00 0.00 0.00 0.00 179.25 178.85 1dm5 h ALA 78 N 1.18 0.39 -0.46 0.00 0.00 -0.67 -0.97 119.26 118.73 1dm5 h ALA 78 Ca 0.15 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.80 1dm5 h ALA 78 Cb 0.05 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1dm5 h ALA 78 CO -0.10 0.26 0.18 0.00 0.00 0.00 0.00 179.25 179.59 1dm5 h ALA 79 N 0.75 0.56 -0.60 0.00 0.00 -1.35 0.99 119.26 119.61 1dm5 h ALA 79 Ca 0.06 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1dm5 h ALA 79 Cb 0.63 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1dm5 h ALA 79 CO 0.04 -0.20 0.23 -0.07 0.00 0.00 0.00 179.25 179.25 1dm5 h LEU 80 N 0.37 0.81 -0.71 0.00 4.07 -1.20 -0.69 115.31 117.96 1dm5 h LEU 80 Ca 0.21 -0.11 -0.03 0.00 0.08 0.00 0.00 57.88 58.03 1dm5 h LEU 80 Cb 0.18 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.68 1dm5 h LEU 80 CO -0.19 0.74 0.33 0.00 -1.08 0.00 0.00 178.44 178.23 1dm5 h ALA 81 N 1.38 0.91 0.00 1.53 0.00 -0.34 -1.67 119.26 121.07 1dm5 h ALA 81 Ca 0.20 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1dm5 h ALA 81 Cb 0.19 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1dm5 h ALA 81 CO -0.02 0.49 -0.10 -0.07 0.00 0.00 0.00 179.25 179.55 1dm5 h LEU 82 N 0.99 0.00 0.00 0.00 3.38 0.66 -2.76 115.31 117.58 1dm5 h LEU 82 Ca 0.24 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.06 1dm5 h LEU 82 Cb 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1dm5 h LEU 82 CO -0.03 0.10 -0.95 -0.07 0.09 0.00 0.00 178.44 177.58 1dm5 h LEU 83 N 0.00 0.00 -9.94 1.67 3.38 -0.60 -3.46 115.31 106.36 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 0.33 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.17 1dm5 h LEU 83 CO 0.01 0.62 0.69 -0.13 0.09 0.00 0.00 178.44 179.72 1dm5 s ARG 84 N -2.90 4.05 0.51 1.13 1.81 -0.94 -4.85 118.95 117.76 1dm5 s ARG 84 Ca 0.01 2.37 -0.22 0.00 -1.72 0.00 0.00 55.73 56.16 1dm5 s ARG 84 Cb 0.08 -2.88 -0.06 0.00 -0.45 0.00 0.00 34.95 31.64 1dm5 s ARG 84 CO 0.78 -0.50 1.32 0.15 -0.68 0.00 0.00 175.30 176.37 1dm5 s LYS 85 N -2.13 3.37 0.23 3.54 1.02 -1.26 -4.73 119.74 119.78 1dm5 s LYS 85 Ca 0.54 2.14 -0.07 0.00 0.02 0.00 0.00 55.97 58.60 1dm5 s LYS 85 Cb -0.42 -2.35 0.28 0.00 -0.52 0.00 0.00 37.83 34.82 1dm5 s LYS 85 CO 0.56 -0.97 1.86 -1.35 -0.92 0.00 0.00 175.35 174.53 1dm5 h PRO 86 N 1.73 0.98 -0.31 -1.68 0.11 -1.94 0.31 132.00 131.20 1dm5 h PRO 86 Ca -0.50 -0.06 -0.16 0.00 0.11 0.00 0.00 66.00 65.39 1dm5 h PRO 86 Cb 1.28 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1dm5 h PRO 86 CO 0.58 0.65 -0.43 -0.44 -0.21 0.00 0.00 178.00 178.15 1dm5 h ASP 87 N 1.01 0.84 -0.49 -2.05 3.32 -1.92 -2.75 116.42 114.37 1dm5 h ASP 87 Ca 0.35 -0.40 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 1dm5 h ASP 87 Cb 0.07 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1dm5 h ASP 87 CO -0.14 1.15 0.19 -0.33 -1.72 0.00 0.00 179.24 178.40 1dm5 h GLU 88 N 0.63 0.74 -0.74 3.56 5.08 -1.74 -1.99 114.58 120.13 1dm5 h GLU 88 Ca 0.04 -0.14 0.05 0.00 -1.00 0.00 0.00 59.36 58.32 1dm5 h GLU 88 Cb 0.99 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.08 1dm5 h GLU 88 CO 0.10 0.67 0.49 0.35 -1.00 0.00 0.00 179.01 179.61 1dm5 h PHE 89 N 0.66 0.83 0.11 4.33 3.57 -0.30 -1.80 116.94 124.34 1dm5 h PHE 89 Ca 0.16 0.02 -0.29 0.00 3.53 0.00 0.00 57.97 61.40 1dm5 h PHE 89 Cb 0.21 -0.28 0.02 0.00 2.79 0.00 0.00 35.95 38.69 1dm5 h PHE 89 CO 0.01 0.46 -1.21 -0.07 -2.23 0.00 0.00 178.31 175.26 1dm5 h LEU 90 N 0.84 0.76 -1.47 0.59 3.38 -1.19 -1.16 115.31 117.06 1dm5 h LEU 90 Ca 0.31 -0.71 0.08 0.00 0.09 0.00 0.00 57.88 57.65 1dm5 h LEU 90 Cb 0.16 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1dm5 h LEU 90 CO -0.10 1.52 0.45 0.00 0.09 0.00 0.00 178.44 180.40 1dm5 h ALA 91 N 0.40 1.82 0.01 1.53 0.00 -1.09 -0.18 119.26 121.74 1dm5 h ALA 91 Ca -0.17 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.50 1dm5 h ALA 91 Cb 1.89 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.50 1dm5 h ALA 91 CO 0.22 0.06 -1.14 1.49 0.00 0.00 0.00 179.25 179.88 1dm5 h GLU 92 N 0.62 0.02 -0.72 0.00 4.81 -1.25 -1.34 114.58 116.72 1dm5 h GLU 92 Ca 0.30 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.45 1dm5 h GLU 92 Cb 0.37 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 1dm5 h GLU 92 CO -0.10 0.94 0.29 1.96 -0.73 0.00 0.00 179.01 181.36 1dm5 h GLN 93 N 0.01 1.08 0.03 1.92 1.08 -0.12 -0.42 115.11 118.69 1dm5 h GLN 93 Ca -0.07 -0.20 -0.00 0.00 -1.45 0.00 0.00 58.65 56.94 1dm5 h GLN 93 Cb 1.83 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 29.08 1dm5 h GLN 93 CO 0.13 0.89 -0.02 -0.07 -0.95 0.00 0.00 178.83 178.81 1dm5 h LEU 94 N 1.03 -0.04 -0.40 1.46 3.38 -1.00 -1.00 115.31 118.74 1dm5 h LEU 94 Ca 0.24 -0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.18 1dm5 h LEU 94 Cb 0.21 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 1dm5 h LEU 94 CO -0.02 0.09 -0.06 -0.74 0.09 0.00 0.00 178.44 177.80 1dm5 h HIS 95 N -0.16 -0.13 -0.06 1.13 2.76 -1.01 -0.31 115.15 117.37 1dm5 h HIS 95 Ca -0.00 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.13 1dm5 h HIS 95 Cb 0.14 0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.21 1dm5 h HIS 95 CO -0.04 -0.14 -0.30 0.00 -1.30 0.00 0.00 177.93 176.16 1dm5 h ALA 96 N 1.38 1.40 0.00 5.26 0.00 -0.94 0.29 119.26 126.65 1dm5 h ALA 96 Ca 0.20 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1dm5 h ALA 96 Cb 0.30 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1dm5 h ALA 96 CO -0.38 0.43 -0.19 0.00 0.00 0.00 0.00 179.25 179.11 1dm5 h ALA 97 N 1.61 1.19 0.00 0.00 0.00 0.32 -3.20 119.26 119.18 1dm5 h ALA 97 Ca 0.01 -0.17 -0.35 0.00 0.00 0.00 0.00 54.91 54.40 1dm5 h ALA 97 Cb 0.58 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1dm5 h ALA 97 CO 0.04 0.24 -2.27 -1.33 0.00 0.00 0.00 179.25 175.93 1dm5 n MET 98 N -3.59 0.54 -0.30 0.00 2.81 -0.84 0.74 117.12 116.47 1dm5 n MET 98 Ca -0.01 0.15 0.10 0.00 -1.81 0.00 0.00 57.70 56.13 1dm5 n MET 98 Cb 0.33 -1.42 0.26 0.00 -0.71 0.00 0.00 33.22 31.68 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 -3.35 2.72 -0.33 0.03 4.76 0.05 -4.75 118.16 117.30 1dm5 n LYS 99 Ca -0.41 -2.45 0.00 0.00 -2.87 0.00 0.00 58.31 52.58 1dm5 n LYS 99 Cb 0.90 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.61 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 1.32 -0.10 3.60 0.72 0.00 -1.21 -4.97 105.19 104.55 1dm5 n GLY 100 Ca 0.20 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 43.97 1dm5 n GLY 100 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1dm5 s LEU 101 N 0.00 3.46 0.00 0.99 0.20 -1.26 -4.72 118.68 117.35 1dm5 s LEU 101 Ca 0.00 1.60 0.00 0.00 0.69 0.00 0.00 54.13 56.42 1dm5 s LEU 101 Cb 0.00 -3.48 0.00 0.00 -0.43 0.00 0.00 46.19 42.28 1dm5 s LEU 101 CO 0.00 -1.88 0.00 0.61 -0.29 0.00 0.00 176.35 174.79 1dm5 n GLY 102 N 5.62 -2.15 3.17 7.98 0.00 -1.26 -4.90 105.19 113.64 1dm5 n GLY 102 Ca 0.27 -1.48 -0.31 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 -0.22 1.91 -1.13 2.61 2.01 -1.26 -4.58 115.64 114.98 1dm5 s THR 103 Ca 0.00 -0.91 -0.17 0.00 0.31 0.00 0.00 61.69 60.92 1dm5 s THR 103 Cb 0.00 -1.67 0.12 0.00 0.01 0.00 0.00 72.50 70.96 1dm5 s THR 103 CO 0.00 0.52 1.42 -0.62 -0.69 0.00 0.00 174.62 175.25 1dm5 s ASP 104 N 0.60 6.83 0.31 3.53 3.68 0.23 -4.86 116.67 126.98 1dm5 s ASP 104 Ca -0.13 -2.42 0.06 0.00 2.13 0.00 0.00 52.55 52.19 1dm5 s ASP 104 Cb -0.17 -2.46 0.51 0.00 -1.45 0.00 0.00 42.92 39.35 1dm5 s ASP 104 CO 0.04 -1.02 1.74 0.11 0.13 0.00 0.00 175.17 176.17 1dm5 h LYS 105 N 8.05 0.29 -0.22 4.34 1.57 -1.98 -2.48 116.57 126.15 1dm5 h LYS 105 Ca 0.28 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.88 1dm5 h LYS 105 Cb 0.93 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 1dm5 h LYS 105 CO 1.28 0.59 -0.15 -0.91 -0.57 0.00 0.00 179.45 179.68 1dm5 h ASN 106 N 0.26 0.36 -0.23 0.86 -0.26 -1.99 -1.40 115.58 113.17 1dm5 h ASN 106 Ca 0.03 -0.09 -0.15 0.00 -0.56 0.00 0.00 56.30 55.53 1dm5 h ASN 106 Cb 0.70 -0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 37.86 1dm5 h ASN 106 CO 0.05 0.54 -0.41 0.00 -1.06 0.00 0.00 177.43 176.55 1dm5 h ALA 107 N 1.50 0.67 -0.95 -0.83 0.00 -1.87 -0.47 119.26 117.31 1dm5 h ALA 107 Ca 0.06 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.53 1dm5 h ALA 107 Cb 0.48 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1dm5 h ALA 107 CO 0.03 0.67 0.63 -0.07 0.00 0.00 0.00 179.25 180.51 1dm5 h LEU 108 N 0.63 1.08 -0.16 0.00 3.38 -1.04 -1.65 115.31 117.55 1dm5 h LEU 108 Ca 0.05 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1dm5 h LEU 108 Cb 0.97 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1dm5 h LEU 108 CO 0.09 0.77 -0.02 0.40 0.09 0.00 0.00 178.44 179.77 1dm5 h ILE 109 N 1.27 1.28 -0.93 1.22 2.04 -1.04 0.11 117.51 121.45 1dm5 h ILE 109 Ca 0.35 -0.94 0.15 0.00 1.00 0.00 0.00 64.86 65.42 1dm5 h ILE 109 Cb -0.13 1.57 -0.08 0.00 -0.74 0.00 0.00 36.82 37.45 1dm5 h ILE 109 CO -0.08 0.28 0.59 0.44 0.00 0.00 0.00 178.15 179.38 1dm5 h ASP 110 N 0.02 0.72 0.07 1.72 3.45 -0.80 -2.05 116.42 119.55 1dm5 h ASP 110 Ca 0.04 0.05 -0.30 0.00 0.43 0.00 0.00 57.03 57.25 1dm5 h ASP 110 Cb 0.44 -0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 39.09 1dm5 h ASP 110 CO 0.01 0.35 -1.65 0.40 -1.57 0.00 0.00 179.24 176.79 1dm5 h ILE 111 N 0.75 0.77 0.00 0.35 2.04 -1.15 -3.40 117.51 116.88 1dm5 h ILE 111 Ca 0.47 -2.28 0.00 0.00 1.00 0.00 0.00 64.86 64.06 1dm5 h ILE 111 Cb 0.71 2.39 0.00 0.00 -0.74 0.00 0.00 36.82 39.18 1dm5 h ILE 111 CO -0.24 0.63 -1.20 0.18 0.00 0.00 0.00 178.15 177.53 1dm5 n LEU 112 N -3.92 0.62 -0.85 1.44 4.77 0.36 -4.20 117.00 115.21 1dm5 n LEU 112 Ca -0.32 0.19 0.12 0.00 -0.03 0.00 0.00 56.01 55.98 1dm5 n LEU 112 Cb 0.88 -0.06 0.25 0.00 -2.33 0.00 0.00 43.42 42.17 1dm5 n LEU 112 CO 0.32 -0.10 0.72 0.00 -1.33 0.00 0.00 177.39 177.00 1dm5 n THR 114 N 1.00 1.02 -4.10 0.00 -2.24 -1.26 -4.35 114.28 104.36 1dm5 n THR 114 Ca 0.17 -1.14 -0.23 0.00 -2.27 0.00 0.00 64.05 60.57 1dm5 n THR 114 Cb 0.51 0.35 -0.05 0.00 -2.10 0.00 0.00 70.33 69.04 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 -1.33 2.93 0.78 -0.78 -1.52 -1.26 -5.09 119.66 113.38 1dm5 s GLN 115 Ca 0.10 -0.99 -0.12 0.00 -1.95 0.00 0.00 55.36 52.40 1dm5 s GLN 115 Cb 0.09 -2.59 0.06 0.00 -0.22 0.00 0.00 33.01 30.34 1dm5 s GLN 115 CO 0.01 0.43 1.11 -1.54 -0.25 0.00 0.00 175.29 175.05 1dm5 s SER 116 N -3.61 4.72 0.23 5.90 1.04 -1.26 -4.87 113.70 115.84 1dm5 s SER 116 Ca 0.32 1.14 -0.08 0.00 0.48 0.00 0.00 55.95 57.81 1dm5 s SER 116 Cb -0.09 -1.84 0.21 0.00 0.10 0.00 0.00 66.02 64.40 1dm5 s SER 116 CO 0.24 -1.81 1.89 0.78 0.98 0.00 0.00 173.24 175.33 1dm5 h ASN 117 N -0.98 0.96 -0.65 7.02 2.35 -1.93 -1.74 115.58 120.62 1dm5 h ASN 117 Ca -0.47 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.26 1dm5 h ASN 117 Cb 1.28 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 39.38 1dm5 h ASN 117 CO 0.62 0.69 0.38 0.00 -1.65 0.00 0.00 177.43 177.47 1dm5 h ALA 118 N 1.32 0.82 -0.45 -0.83 0.00 -1.93 -1.46 119.26 116.74 1dm5 h ALA 118 Ca 0.32 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1dm5 h ALA 118 Cb -0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1dm5 h ALA 118 CO -0.08 0.31 0.23 1.96 0.00 0.00 0.00 179.25 181.67 1dm5 h GLN 119 N 0.88 0.64 -0.67 0.00 4.20 -1.85 -2.30 115.11 116.00 1dm5 h GLN 119 Ca 0.23 -0.08 -0.08 0.00 0.06 0.00 0.00 58.65 58.78 1dm5 h GLN 119 Cb -0.01 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.62 1dm5 h GLN 119 CO -0.04 0.53 0.12 0.82 -0.67 0.00 0.00 178.83 179.58 1dm5 h ILE 120 N 0.59 1.26 -0.20 2.54 1.08 -0.91 -1.70 117.51 120.17 1dm5 h ILE 120 Ca 0.16 -1.02 -0.06 0.00 -0.39 0.00 0.00 64.86 63.55 1dm5 h ILE 120 Cb 0.09 0.62 -0.01 0.00 -3.07 0.00 0.00 36.82 34.44 1dm5 h ILE 120 CO -0.02 0.39 -0.13 0.45 -0.69 0.00 0.00 178.15 178.15 1dm5 h HIS 121 N 1.03 0.34 0.02 1.37 3.86 -1.05 -0.26 115.15 120.47 1dm5 h HIS 121 Ca 0.21 -0.04 -0.22 0.00 -1.16 0.00 0.00 60.37 59.15 1dm5 h HIS 121 Cb 0.43 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 28.80 1dm5 h HIS 121 CO 0.03 0.45 -0.97 0.00 0.86 0.00 0.00 177.93 178.30 1dm5 h ALA 122 N 1.57 0.37 -0.46 2.45 0.00 -1.15 -1.80 119.26 120.24 1dm5 h ALA 122 Ca 0.06 -0.75 -0.04 0.00 0.00 0.00 0.00 54.91 54.19 1dm5 h ALA 122 Cb 0.42 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1dm5 h ALA 122 CO 0.02 0.88 0.15 0.82 0.00 0.00 0.00 179.25 181.13 1dm5 h ILE 123 N 0.16 1.22 -0.70 0.00 2.04 -0.91 -0.46 117.51 118.85 1dm5 h ILE 123 Ca -0.08 -0.73 -0.02 0.00 1.00 0.00 0.00 64.86 65.03 1dm5 h ILE 123 Cb 1.63 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.51 1dm5 h ILE 123 CO 0.16 0.26 0.35 0.11 0.00 0.00 0.00 178.15 179.04 1dm5 h LYS 124 N 0.60 1.00 -0.70 2.37 1.57 -0.96 0.73 116.57 121.18 1dm5 h LYS 124 Ca 0.15 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 1dm5 h LYS 124 Cb 0.26 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 1dm5 h LYS 124 CO -0.01 0.77 0.15 0.00 -0.57 0.00 0.00 179.45 179.80 1dm5 h ALA 125 N 1.17 0.95 -0.39 3.86 0.00 -1.17 -0.84 119.26 122.84 1dm5 h ALA 125 Ca 0.24 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1dm5 h ALA 125 Cb 0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1dm5 h ALA 125 CO -0.03 0.67 -0.31 0.00 0.00 0.00 0.00 179.25 179.57 1dm5 h ALA 126 N 1.10 0.71 -0.63 0.00 0.00 -0.66 -2.17 119.26 117.61 1dm5 h ALA 126 Ca 0.22 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1dm5 h ALA 126 Cb 0.39 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1dm5 h ALA 126 CO 0.01 0.66 0.29 0.35 0.00 0.00 0.00 179.25 180.56 1dm5 h PHE 127 N 0.73 0.92 -0.30 0.00 3.04 -0.57 -1.34 116.94 119.40 1dm5 h PHE 127 Ca 0.08 -0.05 -0.09 0.00 3.98 0.00 0.00 57.97 61.89 1dm5 h PHE 127 Cb 0.87 -0.28 -0.02 0.00 2.56 0.00 0.00 35.95 39.09 1dm5 h PHE 127 CO 0.05 0.70 -0.18 -0.22 -2.02 0.00 0.00 178.31 176.65 1dm5 h LYS 128 N 0.86 0.54 0.75 1.11 3.64 -1.04 -1.61 116.57 120.82 1dm5 h LYS 128 Ca 0.21 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 1dm5 h LYS 128 Cb 0.14 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1dm5 h LYS 128 CO -0.02 0.70 -0.36 1.25 -2.27 0.00 0.00 179.45 178.74 1dm5 h LEU 129 N 0.49 -0.85 -0.86 5.20 5.85 -1.10 -0.41 115.31 123.63 1dm5 h LEU 129 Ca 0.08 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.84 1dm5 h LEU 129 Cb 0.58 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.79 1dm5 h LEU 129 CO 0.04 -0.53 0.56 -0.07 -0.34 0.00 0.00 178.44 178.10 1dm5 h LEU 130 N -1.14 0.95 -0.87 2.25 3.38 -1.21 -3.33 115.31 115.33 1dm5 h LEU 130 Ca -0.10 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1dm5 h LEU 130 Cb 0.79 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1dm5 h LEU 130 CO 0.17 0.66 -0.00 -1.22 0.09 0.00 0.00 178.44 178.14 1dm5 n TYR 131 N -4.52 0.00 -2.50 1.13 4.02 -0.61 -4.97 117.16 109.70 1dm5 n TYR 131 Ca 0.10 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.80 1dm5 n TYR 131 Cb 0.06 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.38 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 -0.12 -2.19 -4.21 -0.72 5.02 -0.16 -4.94 118.16 110.83 1dm5 n LYS 132 Ca 0.00 0.89 -0.12 0.00 -2.02 0.00 0.00 58.31 57.06 1dm5 n LYS 132 Cb 0.01 -5.57 -0.10 0.00 -0.02 0.00 0.00 35.03 29.35 1dm5 n LYS 132 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1dm5 s GLU 133 N -5.14 1.04 -0.17 1.97 -6.30 -1.25 -5.07 118.70 103.77 1dm5 s GLU 133 Ca 0.04 -1.49 -0.20 0.00 -2.50 0.00 0.00 54.97 50.82 1dm5 s GLU 133 Cb -0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 34.13 33.94 1dm5 s GLU 133 CO 0.05 -0.15 0.60 0.34 0.02 0.00 0.00 175.26 176.12 1dm5 s ASP 134 N -3.13 6.71 0.17 -1.70 3.68 -1.26 -3.65 116.67 117.49 1dm5 s ASP 134 Ca 0.23 0.85 -0.12 0.00 2.13 0.00 0.00 52.55 55.64 1dm5 s ASP 134 Cb 0.06 -2.34 0.07 0.00 -1.45 0.00 0.00 42.92 39.26 1dm5 s ASP 134 CO 0.02 -0.20 1.71 0.25 0.13 0.00 0.00 175.17 177.09 1dm5 h LEU 135 N 7.73 0.82 -1.16 -1.34 5.85 -1.92 -2.86 115.31 122.44 1dm5 h LEU 135 Ca -0.35 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.17 1dm5 h LEU 135 Cb 1.16 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 1dm5 h LEU 135 CO 0.76 0.79 0.36 -0.08 -0.34 0.00 0.00 178.44 179.94 1dm5 h GLU 136 N 0.81 0.95 -0.70 1.25 4.81 -1.97 -1.68 114.58 118.05 1dm5 h GLU 136 Ca 0.19 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 1dm5 h GLU 136 Cb 0.25 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 1dm5 h GLU 136 CO -0.01 0.71 0.21 0.87 -0.73 0.00 0.00 179.01 180.05 1dm5 h LYS 137 N 0.96 1.10 -0.44 1.92 1.57 -1.93 -2.22 116.57 117.51 1dm5 h LYS 137 Ca 0.24 -0.24 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1dm5 h LYS 137 Cb 0.04 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1dm5 h LYS 137 CO -0.04 0.95 -0.10 0.93 -0.57 0.00 0.00 179.45 180.63 1dm5 h GLU 138 N 1.04 0.79 -0.19 3.15 4.39 -1.23 -2.79 114.58 119.74 1dm5 h GLU 138 Ca 0.22 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1dm5 h GLU 138 Cb 0.32 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1dm5 h GLU 138 CO -0.00 0.86 0.12 0.82 -1.16 0.00 0.00 179.01 179.65 1dm5 h ILE 139 N 0.72 1.06 0.00 3.13 1.08 -1.16 -2.35 117.51 119.99 1dm5 h ILE 139 Ca 0.12 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1dm5 h ILE 139 Cb 0.58 0.80 0.00 0.00 -3.07 0.00 0.00 36.82 35.13 1dm5 h ILE 139 CO 0.04 0.06 0.00 0.40 -0.69 0.00 0.00 178.15 177.95 1dm5 h ILE 140 N 0.25 0.00 0.00 -0.67 2.04 -1.30 -1.60 117.51 116.23 1dm5 h ILE 140 Ca 0.07 -0.32 -0.04 0.00 1.00 0.00 0.00 64.86 65.57 1dm5 h ILE 140 Cb -0.01 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1dm5 h ILE 140 CO -0.01 0.00 -0.25 0.28 0.00 0.00 0.00 178.15 178.17 1dm5 h SER 141 N 0.00 0.00 0.00 1.72 0.02 -1.16 -3.36 113.55 110.77 1dm5 h SER 141 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1dm5 h SER 141 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1dm5 h SER 141 CO 0.00 0.18 0.00 -0.62 -1.14 0.00 0.00 176.83 175.25 1dm5 n GLU 142 N -3.11 2.27 -4.18 3.45 -0.58 -0.71 -5.04 120.64 112.73 1dm5 n GLU 142 Ca 0.03 -1.27 -0.11 0.00 -0.42 0.00 0.00 57.16 55.39 1dm5 n GLU 142 Cb 0.61 -0.91 -0.10 0.00 -0.57 0.00 0.00 31.44 30.46 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 -0.77 0.03 0.33 2.62 -4.23 -0.68 -4.92 115.64 108.02 1dm5 s THR 143 Ca 0.00 -1.97 -0.17 0.00 -1.18 0.00 0.00 61.69 58.37 1dm5 s THR 143 Cb 0.00 -2.36 0.03 0.00 1.34 0.00 0.00 72.50 71.51 1dm5 s THR 143 CO 0.00 -0.14 0.72 -0.94 -0.54 0.00 0.00 174.62 173.72 1dm5 s SER 144 N -3.13 -0.04 0.90 3.99 1.04 -1.26 -4.73 113.70 110.48 1dm5 s SER 144 Ca 0.35 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.82 1dm5 s SER 144 Cb 0.07 0.77 0.00 0.00 0.10 0.00 0.00 66.02 66.97 1dm5 s SER 144 CO 0.09 -1.50 0.00 0.61 0.98 0.00 0.00 173.24 173.42 1dm5 n GLY 145 N -0.50 2.09 0.25 7.32 0.00 -1.26 -2.20 105.19 110.89 1dm5 n GLY 145 Ca -0.06 -0.45 -0.02 0.00 0.00 0.00 0.00 46.02 45.49 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 8.62 0.44 -0.34 1.61 2.35 -2.00 -2.37 115.58 123.88 1dm5 h ASN 146 Ca 0.00 -0.12 -0.04 0.00 -0.55 0.00 0.00 56.30 55.59 1dm5 h ASN 146 Cb 0.00 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 1dm5 h ASN 146 CO 0.00 0.63 0.06 0.15 -1.65 0.00 0.00 177.43 176.63 1dm5 h PHE 147 N 0.41 0.60 -0.29 1.19 3.57 -1.93 -1.55 116.94 118.94 1dm5 h PHE 147 Ca 0.07 -0.08 0.06 0.00 3.53 0.00 0.00 57.97 61.55 1dm5 h PHE 147 Cb 0.54 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 39.06 1dm5 h PHE 147 CO 0.02 0.62 -0.10 0.37 -2.23 0.00 0.00 178.31 176.99 1dm5 h GLN 148 N 0.40 -0.03 -0.75 1.11 4.15 -1.14 -2.00 115.11 116.85 1dm5 h GLN 148 Ca 0.10 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.58 1dm5 h GLN 148 Cb 0.34 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 27.98 1dm5 h GLN 148 CO 0.01 -0.02 0.44 0.00 -1.93 0.00 0.00 178.83 177.33 1dm5 h ARG 149 N -0.04 0.80 -0.64 1.69 3.08 -1.25 0.29 114.38 118.31 1dm5 h ARG 149 Ca 0.15 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1dm5 h ARG 149 Cb 0.26 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 1dm5 h ARG 149 CO -0.32 0.53 0.41 1.25 -1.07 0.00 0.00 179.97 180.76 1dm5 h LEU 150 N 0.82 0.75 -0.56 3.04 5.85 -0.80 -0.26 115.31 124.16 1dm5 h LEU 150 Ca 0.33 -0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.91 1dm5 h LEU 150 Cb 0.16 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1dm5 h LEU 150 CO -0.17 0.57 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.39 1dm5 h LEU 151 N 0.87 0.99 -0.97 2.25 3.38 -0.54 -1.66 115.31 119.63 1dm5 h LEU 151 Ca 0.23 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1dm5 h LEU 151 Cb -0.07 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.37 1dm5 h LEU 151 CO -0.05 1.08 0.64 0.58 0.09 0.00 0.00 178.44 180.78 1dm5 h VAL 152 N 0.89 1.24 -0.16 1.22 2.07 -0.14 -1.37 116.25 120.00 1dm5 h VAL 152 Ca 0.15 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.24 1dm5 h VAL 152 Cb 0.59 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 1dm5 h VAL 152 CO 0.04 0.24 0.05 0.28 0.02 0.00 0.00 177.57 178.20 1dm5 h SER 153 N 1.31 0.06 -0.67 0.57 0.02 -0.65 -2.19 113.55 112.00 1dm5 h SER 153 Ca 0.36 0.02 0.14 0.00 -0.84 0.00 0.00 61.79 61.46 1dm5 h SER 153 Cb -0.15 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.36 1dm5 h SER 153 CO -0.08 0.06 0.46 0.24 -1.14 0.00 0.00 176.83 176.37 1dm5 h MET 154 N 0.13 0.31 0.00 3.45 2.07 -0.87 -2.36 114.93 117.66 1dm5 h MET 154 Ca 0.07 -0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.68 1dm5 h MET 154 Cb 0.04 -0.07 0.00 0.00 -1.87 0.00 0.00 31.60 29.70 1dm5 h MET 154 CO -0.07 0.20 -0.02 1.28 1.07 0.00 0.00 176.91 179.37 1dm5 n LEU 155 N -4.45 0.16 0.24 1.22 4.77 -0.56 -3.13 117.00 115.25 1dm5 n LEU 155 Ca 0.12 0.50 0.14 0.00 -0.03 0.00 0.00 56.01 56.74 1dm5 n LEU 155 Cb 0.52 -0.46 0.36 0.00 -2.33 0.00 0.00 43.42 41.51 1dm5 n LEU 155 CO 0.34 -0.03 0.88 1.56 -1.33 0.00 0.00 177.39 178.81 1dm5 h GLN 156 N 0.00 0.00 -6.03 3.23 1.08 -1.29 -3.48 115.11 108.63 1dm5 h GLN 156 Ca 0.00 0.00 -0.41 0.00 -1.45 0.00 0.00 58.65 56.79 1dm5 h GLN 156 Cb 0.54 0.00 0.07 0.00 -0.05 0.00 0.00 27.48 28.04 1dm5 h GLN 156 CO 0.00 0.00 -0.82 0.41 -0.95 0.00 0.00 178.83 177.47 1dm5 n GLY 157 N 0.71 -0.30 0.37 3.46 0.00 -1.18 -4.92 105.19 103.33 1dm5 n GLY 157 Ca 0.03 0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.51 4.23 3.76 -0.02 0.00 -1.26 -4.81 105.19 105.58 1dm5 n GLY 158 Ca -0.30 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.50 4.28 -1.36 1.61 3.52 -1.26 -4.85 118.95 118.38 1dm5 s ARG 159 Ca 0.31 2.30 -0.16 0.00 -0.13 0.00 0.00 55.73 58.05 1dm5 s ARG 159 Cb 0.26 -3.08 0.03 0.00 -1.56 0.00 0.00 34.95 30.59 1dm5 s ARG 159 CO 0.05 -0.35 2.08 1.17 -0.81 0.00 0.00 175.30 177.44 1dm5 n LYS 160 N 1.63 2.81 0.33 5.12 4.81 0.68 -4.74 118.16 128.80 1dm5 n LYS 160 Ca 0.04 -2.71 0.21 0.00 -0.87 0.00 0.00 58.31 54.97 1dm5 n LYS 160 Cb 0.41 -3.33 1.14 0.00 0.02 0.00 0.00 35.03 33.27 1dm5 n LYS 160 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1dm5 h GLU 161 N 6.62 0.00 -0.67 1.64 5.08 -1.88 -1.65 114.58 123.72 1dm5 h GLU 161 Ca 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.88 1dm5 h GLU 161 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1dm5 h GLU 161 CO 1.77 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 179.38 1dm5 n ASP 162 N -3.30 4.76 -4.67 1.42 5.75 -1.26 -4.74 116.55 114.51 1dm5 n ASP 162 Ca -0.03 -2.42 -0.42 0.00 -0.01 0.00 0.00 54.79 51.91 1dm5 n ASP 162 Cb 0.08 -0.58 -0.03 0.00 -1.03 0.00 0.00 41.12 39.56 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 -1.79 4.16 0.33 0.11 2.12 -0.63 -4.94 118.70 118.07 1dm5 s GLU 163 Ca 0.52 2.43 -0.29 0.00 0.36 0.00 0.00 54.97 57.99 1dm5 s GLU 163 Cb 0.33 -3.98 -0.10 0.00 0.26 0.00 0.00 34.13 30.64 1dm5 s GLU 163 CO 0.26 -0.88 1.27 -2.14 -0.54 0.00 0.00 175.26 173.23 1dm5 s PRO 164 N 3.92 4.38 0.14 4.30 0.02 -1.26 -4.58 135.00 141.91 1dm5 s PRO 164 Ca 0.81 2.14 -0.35 0.00 0.02 0.00 0.00 61.00 63.62 1dm5 s PRO 164 Cb -0.39 -3.06 -0.16 0.00 0.02 0.00 0.00 34.50 30.91 1dm5 s PRO 164 CO 0.36 -0.14 1.37 0.28 -0.33 0.00 0.00 177.00 178.53 1dm5 n VAL 165 N 0.81 0.27 -3.63 3.83 0.31 -1.26 -4.86 118.33 113.79 1dm5 n VAL 165 Ca 0.00 -0.07 -0.25 0.00 -0.01 0.00 0.00 64.34 64.02 1dm5 n VAL 165 Cb 0.42 -1.06 -0.17 0.00 -0.91 0.00 0.00 33.84 32.12 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 0.47 2.11 0.25 4.52 3.84 -1.26 -5.04 114.94 119.83 1dm5 s ASN 166 Ca 0.79 -0.47 -0.03 0.00 0.21 0.00 0.00 52.86 53.36 1dm5 s ASN 166 Cb -0.84 -0.24 0.30 0.00 -0.55 0.00 0.00 41.25 39.92 1dm5 s ASN 166 CO 0.46 -0.33 1.74 0.00 -2.79 0.00 0.00 177.10 176.18 1dm5 h ALA 167 N 8.42 1.06 -0.54 1.71 0.00 -1.98 0.12 119.26 128.04 1dm5 h ALA 167 Ca -0.15 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 1dm5 h ALA 167 Cb 1.14 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1dm5 h ALA 167 CO 0.26 0.59 0.18 0.00 0.00 0.00 0.00 179.25 180.29 1dm5 h ALA 168 N 1.22 0.70 -0.19 0.00 0.00 -2.00 -1.39 119.26 117.60 1dm5 h ALA 168 Ca 0.15 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1dm5 h ALA 168 Cb 0.48 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1dm5 h ALA 168 CO 0.02 0.34 -0.42 0.45 0.00 0.00 0.00 179.25 179.64 1dm5 h HIS 169 N 0.73 0.54 -0.19 0.00 3.86 -1.90 -1.88 115.15 116.32 1dm5 h HIS 169 Ca 0.17 -0.16 -0.07 0.00 -1.16 0.00 0.00 60.37 59.16 1dm5 h HIS 169 Cb 0.25 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 1dm5 h HIS 169 CO 0.01 0.81 -0.19 0.00 0.86 0.00 0.00 177.93 179.42 1dm5 h ALA 170 N 1.17 1.33 0.04 2.45 0.00 -0.44 0.28 119.26 124.10 1dm5 h ALA 170 Ca 0.03 -0.27 -0.24 0.00 0.00 0.00 0.00 54.91 54.43 1dm5 h ALA 170 Cb 0.90 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1dm5 h ALA 170 CO 0.08 0.45 -1.03 0.00 0.00 0.00 0.00 179.25 178.75 1dm5 h ALA 171 N 1.51 0.30 -0.50 0.00 0.00 -1.09 -1.17 119.26 118.31 1dm5 h ALA 171 Ca 0.05 -0.77 -0.00 0.00 0.00 0.00 0.00 54.91 54.20 1dm5 h ALA 171 Cb 0.51 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1dm5 h ALA 171 CO 0.03 0.88 0.31 0.93 0.00 0.00 0.00 179.25 181.40 1dm5 h GLU 172 N 0.16 0.67 -0.36 0.00 5.08 -0.85 -1.20 114.58 118.08 1dm5 h GLU 172 Ca -0.09 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.08 1dm5 h GLU 172 Cb 1.69 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.79 1dm5 h GLU 172 CO 0.17 0.48 -0.29 -0.44 -1.00 0.00 0.00 179.01 177.93 1dm5 h ASP 173 N 0.67 0.79 0.12 1.42 3.45 -0.86 -1.46 116.42 120.54 1dm5 h ASP 173 Ca 0.18 -0.32 -0.14 0.00 0.43 0.00 0.00 57.03 57.18 1dm5 h ASP 173 Cb -0.02 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 38.52 1dm5 h ASP 173 CO -0.03 1.03 -0.50 0.00 -1.57 0.00 0.00 179.24 178.17 1dm5 h ALA 174 N 1.02 0.84 -0.15 3.45 0.00 -1.03 -1.99 119.26 121.39 1dm5 h ALA 174 Ca 0.08 -0.48 -0.10 0.00 0.00 0.00 0.00 54.91 54.41 1dm5 h ALA 174 Cb 0.82 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1dm5 h ALA 174 CO 0.07 0.67 -0.33 0.00 0.00 0.00 0.00 179.25 179.66 1dm5 h ALA 175 N 1.12 1.15 -0.06 0.00 0.00 -1.01 -0.33 119.26 120.14 1dm5 h ALA 175 Ca 0.02 -0.37 -0.17 0.00 0.00 0.00 0.00 54.91 54.38 1dm5 h ALA 175 Cb 1.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1dm5 h ALA 175 CO 0.09 0.55 -0.71 0.00 0.00 0.00 0.00 179.25 179.18 1dm5 h ALA 176 N 1.39 0.66 -0.41 0.00 0.00 -0.95 -1.17 119.26 118.78 1dm5 h ALA 176 Ca 0.03 -0.60 -0.12 0.00 0.00 0.00 0.00 54.91 54.22 1dm5 h ALA 176 Cb 0.72 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1dm5 h ALA 176 CO 0.05 0.77 -0.24 0.82 0.00 0.00 0.00 179.25 180.66 1dm5 h ILE 177 N 0.22 1.27 -0.39 0.00 2.04 -1.17 -0.42 117.51 119.07 1dm5 h ILE 177 Ca -0.02 -1.37 0.02 0.00 1.00 0.00 0.00 64.86 64.48 1dm5 h ILE 177 Cb 1.27 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 38.54 1dm5 h ILE 177 CO 0.12 0.46 0.23 0.22 0.00 0.00 0.00 178.15 179.18 1dm5 h TYR 178 N 0.72 0.44 0.00 1.37 3.20 -0.89 -2.35 116.97 119.45 1dm5 h TYR 178 Ca 0.09 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 1dm5 h TYR 178 Cb 0.77 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 1dm5 h TYR 178 CO 0.04 0.26 -0.19 1.96 -1.64 0.00 0.00 178.16 178.59 1dm5 h GLN 179 N 0.47 0.00 0.00 1.82 1.08 -0.96 0.65 115.11 118.17 1dm5 h GLN 179 Ca 0.15 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 1dm5 h GLN 179 Cb -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1dm5 h GLN 179 CO -0.07 0.19 -0.26 0.00 -0.95 0.00 0.00 178.83 177.74 1dm5 n ALA 180 N -2.26 2.90 -1.74 3.87 0.00 -0.19 -4.19 120.51 118.90 1dm5 n ALA 180 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1dm5 n ALA 180 Cb 0.34 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 1.48 1.17 0.32 0.00 0.00 -0.93 -0.49 105.19 106.74 1dm5 n GLY 181 Ca 0.06 -0.12 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 0.16 0.00 1.61 5.08 -1.76 -1.70 114.58 117.97 1dm5 h GLU 182 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1dm5 h GLU 182 Cb 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1dm5 h GLU 182 CO 0.00 0.11 0.00 0.78 -1.00 0.00 0.00 179.01 178.90 1dm5 h GLY 183 N 0.17 0.00 -2.50 -3.84 0.00 0.08 -3.46 103.07 93.52 1dm5 h GLY 183 Ca 0.68 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.75 1dm5 h GLY 183 CO -0.71 0.00 -0.58 -0.86 0.00 0.00 0.00 176.54 174.39 1dm5 s GLN 184 N -3.93 1.28 -0.04 4.80 -2.07 -0.64 -4.93 119.66 114.14 1dm5 s GLN 184 Ca -0.03 -1.66 -0.23 0.00 -1.82 0.00 0.00 55.36 51.61 1dm5 s GLN 184 Cb 0.11 0.29 -0.18 0.00 -1.09 0.00 0.00 33.01 32.14 1dm5 s GLN 184 CO 0.38 -0.43 1.04 0.82 -1.32 0.00 0.00 175.29 175.78 1dm5 h ILE 185 N 2.55 1.01 -0.57 3.63 1.08 -1.88 -3.46 117.51 119.87 1dm5 h ILE 185 Ca -0.34 -1.09 0.00 0.00 -0.39 0.00 0.00 64.86 63.04 1dm5 h ILE 185 Cb 1.25 1.64 0.00 0.00 -3.07 0.00 0.00 36.82 36.64 1dm5 h ILE 185 CO 0.50 0.24 0.00 0.61 -0.69 0.00 0.00 178.15 178.81 1dm5 n GLY 186 N 0.38 -1.61 3.12 5.37 0.00 -1.26 -5.05 105.19 106.13 1dm5 n GLY 186 Ca -0.08 -1.45 -0.12 0.00 0.00 0.00 0.00 46.02 44.36 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 0.00 0.03 -0.87 2.61 2.01 -1.26 -4.69 115.64 113.47 1dm5 s THR 187 Ca 0.00 -0.26 0.00 0.00 0.31 0.00 0.00 61.69 61.75 1dm5 s THR 187 Cb 0.00 -0.38 0.26 0.00 0.01 0.00 0.00 72.50 72.38 1dm5 s THR 187 CO 0.00 -0.14 0.98 -0.67 -0.69 0.00 0.00 174.62 174.10 1dm5 n ASP 188 N 2.32 4.71 -0.25 3.53 4.64 0.35 -4.91 116.55 126.94 1dm5 n ASP 188 Ca -0.17 -3.32 0.18 0.00 -1.38 0.00 0.00 54.79 50.10 1dm5 n ASP 188 Cb 0.57 -0.99 0.48 0.00 -1.04 0.00 0.00 41.12 40.15 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 5.21 0.45 -0.16 -0.67 4.22 -1.98 -0.60 114.58 121.05 1dm5 h GLU 189 Ca 0.19 -0.03 0.05 0.00 0.08 0.00 0.00 59.36 59.65 1dm5 h GLU 189 Cb 0.70 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1dm5 h GLU 189 CO 0.99 0.30 0.14 0.66 -2.18 0.00 0.00 179.01 178.92 1dm5 h SER 190 N 0.46 0.00 0.27 1.04 4.64 -1.96 -1.78 113.55 116.23 1dm5 h SER 190 Ca 0.47 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.57 1dm5 h SER 190 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1dm5 h SER 190 CO -0.19 0.00 -0.92 -0.09 -0.87 0.00 0.00 176.83 174.75 1dm5 h ARG 191 N 0.00 0.45 -0.51 4.77 9.65 -1.50 -0.03 114.38 127.21 1dm5 h ARG 191 Ca 0.08 -0.47 -0.01 0.00 -1.10 0.00 0.00 59.98 58.47 1dm5 h ARG 191 Cb 0.35 0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.04 1dm5 h ARG 191 CO -0.00 1.12 0.27 0.74 2.80 0.00 0.00 179.97 184.90 1dm5 h PHE 192 N 0.26 0.70 0.30 2.20 0.04 -1.44 -1.58 116.94 117.43 1dm5 h PHE 192 Ca -0.08 -0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.67 1dm5 h PHE 192 Cb 1.55 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 39.47 1dm5 h PHE 192 CO 0.06 0.52 -0.24 -0.97 -0.60 0.00 0.00 178.31 177.09 1dm5 h ASN 193 N 0.67 -0.62 0.02 2.17 -1.24 -1.19 -1.16 115.58 114.23 1dm5 h ASN 193 Ca 0.18 0.05 0.02 0.00 0.71 0.00 0.00 56.30 57.26 1dm5 h ASN 193 Cb 0.06 0.20 -0.03 0.00 0.73 0.00 0.00 38.32 39.28 1dm5 h ASN 193 CO -0.03 -0.36 -0.17 0.00 -1.29 0.00 0.00 177.43 175.58 1dm5 h ALA 194 N 0.09 -0.22 -0.19 1.57 0.00 -0.88 -1.78 119.26 117.85 1dm5 h ALA 194 Ca -0.02 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1dm5 h ALA 194 Cb 0.48 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1dm5 h ALA 194 CO -0.01 -0.67 0.00 0.28 0.00 0.00 0.00 179.25 178.86 1dm5 h VAL 195 N -0.29 1.25 0.00 0.00 2.07 -1.20 -2.93 116.25 115.15 1dm5 h VAL 195 Ca 0.05 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1dm5 h VAL 195 Cb 0.34 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1dm5 h VAL 195 CO -0.15 0.26 0.00 -0.07 0.02 0.00 0.00 177.57 177.63 1dm5 h LEU 196 N 0.10 0.00 0.00 2.57 4.07 -1.09 -2.89 115.31 118.07 1dm5 h LEU 196 Ca 0.05 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.98 1dm5 h LEU 196 Cb 0.38 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.11 1dm5 h LEU 196 CO 0.01 0.00 -1.98 0.00 -1.08 0.00 0.00 178.44 175.39 1dm5 n ALA 197 N -1.88 2.67 -0.03 1.53 0.00 -0.68 -4.65 120.51 117.47 1dm5 n ALA 197 Ca 0.02 -0.58 -0.01 0.00 0.00 0.00 0.00 53.44 52.87 1dm5 n ALA 197 Cb 0.26 -0.72 -0.09 0.00 0.00 0.00 0.00 19.45 18.90 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 -2.33 0.42 -2.46 0.00 -2.24 -1.12 -4.16 114.28 102.39 1dm5 n THR 198 Ca -0.06 -0.37 -0.33 0.00 -2.27 0.00 0.00 64.05 61.01 1dm5 n THR 198 Cb 0.62 -0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 68.51 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 -2.48 3.77 0.67 -0.78 3.00 -1.10 -0.23 118.95 121.80 1dm5 s ARG 199 Ca -0.05 1.27 -0.16 0.00 0.00 0.00 0.00 55.73 56.79 1dm5 s ARG 199 Cb 0.05 -2.10 0.01 0.00 0.00 0.00 0.00 34.95 32.91 1dm5 s ARG 199 CO 0.45 -0.45 1.17 -1.54 0.00 0.00 0.00 175.30 174.93 1dm5 s SER 200 N -2.25 4.78 0.22 0.23 1.04 -1.19 -4.68 113.70 111.85 1dm5 s SER 200 Ca 0.65 2.22 -0.08 0.00 0.48 0.00 0.00 55.95 59.22 1dm5 s SER 200 Cb -0.15 -2.58 0.34 0.00 0.10 0.00 0.00 66.02 63.73 1dm5 s SER 200 CO 0.23 -1.86 1.71 1.88 0.98 0.00 0.00 173.24 176.19 1dm5 h TYR 201 N 0.10 0.29 -0.60 5.02 -1.99 -1.89 0.21 116.97 118.11 1dm5 h TYR 201 Ca -0.48 0.04 -0.09 0.00 2.00 0.00 0.00 58.73 60.19 1dm5 h TYR 201 Cb 1.28 -0.03 -0.02 0.00 2.00 0.00 0.00 36.73 39.95 1dm5 h TYR 201 CO 0.50 -0.00 0.01 -1.35 -0.00 0.00 0.00 178.16 177.32 1dm5 h PRO 202 N 0.32 1.05 -0.37 4.88 0.11 -1.91 -0.91 132.00 135.17 1dm5 h PRO 202 Ca 0.34 -0.32 -0.08 0.00 0.11 0.00 0.00 66.00 66.05 1dm5 h PRO 202 Cb 0.51 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.50 1dm5 h PRO 202 CO -0.40 1.02 -0.12 0.37 -0.21 0.00 0.00 178.00 178.66 1dm5 h GLN 203 N 0.96 0.65 -0.44 1.05 5.75 -1.53 -2.10 115.11 119.45 1dm5 h GLN 203 Ca 0.17 -0.20 -0.02 0.00 -0.15 0.00 0.00 58.65 58.45 1dm5 h GLN 203 Cb 0.54 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.01 1dm5 h GLN 203 CO 0.03 0.75 0.19 -0.07 -2.65 0.00 0.00 178.83 177.08 1dm5 h LEU 204 N 0.59 0.60 -0.53 -2.39 3.38 -0.37 0.22 115.31 116.80 1dm5 h LEU 204 Ca 0.10 -0.15 0.09 0.00 0.09 0.00 0.00 57.88 58.01 1dm5 h LEU 204 Cb 0.55 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.07 1dm5 h LEU 204 CO 0.03 0.59 0.11 -0.74 0.09 0.00 0.00 178.44 178.52 1dm5 h HIS 205 N 0.57 0.17 -0.64 1.13 2.76 -0.93 0.19 115.15 118.40 1dm5 h HIS 205 Ca 0.15 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.27 1dm5 h HIS 205 Cb 0.16 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.10 1dm5 h HIS 205 CO -0.00 -0.01 0.09 0.37 -1.30 0.00 0.00 177.93 177.07 1dm5 h GLN 206 N 0.25 1.07 -0.67 5.26 5.75 -0.75 -2.44 115.11 123.57 1dm5 h GLN 206 Ca 0.27 -0.29 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 1dm5 h GLN 206 Cb 0.38 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.77 1dm5 h GLN 206 CO -0.35 0.99 0.38 0.82 -2.65 0.00 0.00 178.83 178.02 1dm5 h ILE 207 N 1.00 1.21 -0.19 2.39 2.04 0.31 -1.05 117.51 123.21 1dm5 h ILE 207 Ca 0.19 -0.50 -0.04 0.00 1.00 0.00 0.00 64.86 65.51 1dm5 h ILE 207 Cb 0.45 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1dm5 h ILE 207 CO 0.02 0.22 -0.06 -0.26 0.00 0.00 0.00 178.15 178.07 1dm5 h PHE 208 N 0.92 0.30 -0.26 1.37 0.05 -0.21 0.06 116.94 119.17 1dm5 h PHE 208 Ca 0.24 -0.02 -0.14 0.00 3.82 0.00 0.00 57.97 61.87 1dm5 h PHE 208 Cb 0.02 -0.09 -0.00 0.00 2.00 0.00 0.00 35.95 37.88 1dm5 h PHE 208 CO -0.01 0.36 -0.36 1.25 -0.18 0.00 0.00 178.31 179.37 1dm5 h HIS 209 N 0.28 0.87 -0.40 -0.55 2.76 -1.07 -3.03 115.15 114.02 1dm5 h HIS 209 Ca 0.06 -0.29 -0.04 0.00 -2.20 0.00 0.00 60.37 57.91 1dm5 h HIS 209 Cb 0.29 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.06 1dm5 h HIS 209 CO 0.01 1.05 0.08 0.93 -1.30 0.00 0.00 177.93 178.70 1dm5 h GLU 210 N 0.44 0.59 -0.22 5.26 4.39 -0.43 -2.83 114.58 121.78 1dm5 h GLU 210 Ca 0.03 -0.11 0.02 0.00 0.34 0.00 0.00 59.36 59.64 1dm5 h GLU 210 Cb 0.95 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.49 1dm5 h GLU 210 CO 0.09 0.56 0.10 -0.92 -1.16 0.00 0.00 179.01 177.68 1dm5 h TYR 211 N 0.58 0.19 0.00 4.33 3.20 -0.89 0.29 116.97 124.66 1dm5 h TYR 211 Ca 0.13 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.01 1dm5 h TYR 211 Cb 0.25 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.46 1dm5 h TYR 211 CO 0.01 0.10 0.00 -1.13 -1.64 0.00 0.00 178.16 175.50 1dm5 n SER 212 N -5.00 0.00 0.06 -2.11 3.41 -1.07 -0.44 113.62 108.47 1dm5 n SER 212 Ca -0.02 0.17 0.11 0.00 -0.26 0.00 0.00 58.87 58.87 1dm5 n SER 212 Cb 0.06 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 1dm5 n SER 212 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1dm5 n LYS 213 N -1.26 0.48 0.00 4.33 5.02 0.08 -4.30 118.16 122.50 1dm5 n LYS 213 Ca 0.03 0.04 0.04 0.00 -2.02 0.00 0.00 58.31 56.40 1dm5 n LYS 213 Cb 0.05 -1.70 -0.01 0.00 -0.02 0.00 0.00 35.03 33.35 1dm5 n LYS 213 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1dm5 n ILE 214 N -2.34 0.00 -4.22 -0.18 -5.35 0.42 -5.04 119.36 102.65 1dm5 n ILE 214 Ca 0.00 -0.40 -0.13 0.00 -0.27 0.00 0.00 62.75 61.95 1dm5 n ILE 214 Cb 0.51 1.08 -0.10 0.00 -1.74 0.00 0.00 39.64 39.39 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 -1.26 1.22 0.15 7.28 0.15 -0.31 -5.02 113.70 115.91 1dm5 s SER 215 Ca 0.06 -1.13 0.23 0.00 0.70 0.00 0.00 55.95 55.82 1dm5 s SER 215 Cb 0.06 0.11 0.14 0.00 -1.71 0.00 0.00 66.02 64.62 1dm5 s SER 215 CO 0.22 -0.53 1.14 0.59 1.20 0.00 0.00 173.24 175.86 1dm5 n ASN 216 N -0.19 0.76 -4.89 5.45 5.03 -1.26 -4.62 115.26 115.54 1dm5 n ASN 216 Ca -0.08 0.17 -0.30 0.00 0.87 0.00 0.00 54.58 55.24 1dm5 n ASN 216 Cb 0.62 0.39 -0.04 0.00 -1.02 0.00 0.00 39.78 39.73 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 -3.27 3.71 0.99 3.52 1.02 -1.26 -5.10 119.74 119.35 1dm5 s LYS 217 Ca 0.03 0.15 -0.16 0.00 0.02 0.00 0.00 55.97 56.01 1dm5 s LYS 217 Cb 0.12 -2.63 0.20 0.00 -0.52 0.00 0.00 37.83 34.99 1dm5 s LYS 217 CO 0.77 0.24 1.22 0.95 -0.92 0.00 0.00 175.35 177.61 1dm5 s THR 218 N -1.99 1.91 0.35 2.17 -4.23 -1.26 -4.58 115.64 108.00 1dm5 s THR 218 Ca 0.46 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 61.05 1dm5 s THR 218 Cb -0.11 -2.84 0.11 0.00 1.34 0.00 0.00 72.50 71.01 1dm5 s THR 218 CO 0.26 0.00 1.83 -0.29 -0.54 0.00 0.00 174.62 175.89 1dm5 h ILE 219 N -1.77 1.23 -0.20 2.99 6.09 -1.96 -0.93 117.51 122.96 1dm5 h ILE 219 Ca -0.46 -1.05 0.01 0.00 -1.37 0.00 0.00 64.86 61.99 1dm5 h ILE 219 Cb 1.28 1.37 -0.01 0.00 0.47 0.00 0.00 36.82 39.92 1dm5 h ILE 219 CO 0.45 0.32 0.12 -0.07 -3.07 0.00 0.00 178.15 175.89 1dm5 h LEU 220 N 0.24 0.19 -0.82 2.19 -0.00 -1.98 -1.55 115.31 113.57 1dm5 h LEU 220 Ca 0.04 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.87 1dm5 h LEU 220 Cb 0.53 -0.04 -0.03 0.00 -0.00 0.00 0.00 40.66 41.12 1dm5 h LEU 220 CO 0.04 0.14 0.25 1.56 -0.00 0.00 0.00 178.44 180.42 1dm5 h GLN 221 N 0.24 1.13 -0.77 1.13 4.20 -1.78 0.83 115.11 120.10 1dm5 h GLN 221 Ca 0.08 -0.23 -0.05 0.00 0.06 0.00 0.00 58.65 58.51 1dm5 h GLN 221 Cb -0.01 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.57 1dm5 h GLN 221 CO -0.04 0.95 0.30 0.00 -0.67 0.00 0.00 178.83 179.37 1dm5 h ALA 222 N 1.18 1.00 -0.28 3.87 0.00 -0.92 -0.28 119.26 123.83 1dm5 h ALA 222 Ca 0.24 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1dm5 h ALA 222 Cb 0.28 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1dm5 h ALA 222 CO -0.01 0.63 -0.09 0.82 0.00 0.00 0.00 179.25 180.60 1dm5 h ILE 223 N 1.11 1.29 -0.87 0.00 2.04 -0.84 0.11 117.51 120.34 1dm5 h ILE 223 Ca 0.25 -1.14 0.07 0.00 1.00 0.00 0.00 64.86 65.05 1dm5 h ILE 223 Cb 0.23 1.45 -0.07 0.00 -0.74 0.00 0.00 36.82 37.69 1dm5 h ILE 223 CO -0.02 0.36 0.54 -0.33 0.00 0.00 0.00 178.15 178.70 1dm5 h GLU 224 N 0.31 0.93 0.00 2.37 4.39 -0.61 -1.27 114.58 120.70 1dm5 h GLU 224 Ca 0.07 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 1dm5 h GLU 224 Cb 0.58 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1dm5 h GLU 224 CO 0.03 0.62 -0.17 -0.97 -1.16 0.00 0.00 179.01 177.36 1dm5 h ASN 225 N 0.96 0.00 0.34 1.42 -1.24 -0.87 -3.34 115.58 112.85 1dm5 h ASN 225 Ca 0.39 0.00 -0.32 0.00 0.71 0.00 0.00 56.30 57.08 1dm5 h ASN 225 Cb 0.23 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.25 1dm5 h ASN 225 CO -0.19 0.17 -1.78 -0.08 -1.29 0.00 0.00 177.43 174.25 1dm5 h GLU 226 N 0.00 0.17 -5.51 6.67 4.57 -0.33 -3.49 114.58 116.66 1dm5 h GLU 226 Ca -0.00 -0.29 -0.60 0.00 -1.18 0.00 0.00 59.36 57.29 1dm5 h GLU 226 Cb 1.11 0.11 -0.13 0.00 -0.16 0.00 0.00 28.75 29.68 1dm5 h GLU 226 CO 0.02 0.94 -0.59 -0.06 -1.18 0.00 0.00 179.01 178.14 1dm5 s PHE 227 N -2.59 2.33 0.22 0.92 0.08 -0.54 -5.08 117.98 113.32 1dm5 s PHE 227 Ca -0.13 -0.77 -0.02 0.00 0.12 0.00 0.00 56.93 56.13 1dm5 s PHE 227 Cb 0.07 -1.64 -0.04 0.00 -0.57 0.00 0.00 43.02 40.84 1dm5 s PHE 227 CO 0.81 0.32 0.18 -1.54 -0.10 0.00 0.00 175.22 174.89 1dm5 s SER 228 N -3.67 0.25 0.65 1.36 1.04 -1.26 -4.73 113.70 107.33 1dm5 s SER 228 Ca 0.33 -1.37 0.00 0.00 0.48 0.00 0.00 55.95 55.38 1dm5 s SER 228 Cb 0.09 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1dm5 s SER 228 CO 0.16 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 174.10 1dm5 n GLY 229 N -0.31 0.50 0.10 7.32 0.00 -1.26 -3.40 105.19 108.14 1dm5 n GLY 229 Ca 0.02 -0.80 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 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 8.12 -0.00 -0.95 1.61 3.45 -2.00 -1.98 116.42 124.67 1dm5 h ASP 230 Ca 0.00 0.03 0.01 0.00 0.43 0.00 0.00 57.03 57.50 1dm5 h ASP 230 Cb 0.00 0.05 -0.05 0.00 -0.56 0.00 0.00 39.33 38.77 1dm5 h ASP 230 CO 0.00 0.03 0.62 -0.29 -1.57 0.00 0.00 179.24 178.02 1dm5 h ILE 231 N 0.11 1.25 0.25 0.35 6.09 -1.93 0.54 117.51 124.16 1dm5 h ILE 231 Ca 0.09 -0.47 0.00 0.00 -1.37 0.00 0.00 64.86 63.11 1dm5 h ILE 231 Cb 0.09 -0.14 -0.02 0.00 0.47 0.00 0.00 36.82 37.22 1dm5 h ILE 231 CO -0.12 0.24 -0.26 0.50 -3.07 0.00 0.00 178.15 175.44 1dm5 h LYS 232 N 1.29 -0.52 -0.89 2.19 3.64 -1.49 -1.37 116.57 119.41 1dm5 h LYS 232 Ca 0.35 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.87 1dm5 h LYS 232 Cb -0.13 0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 31.74 1dm5 h LYS 232 CO -0.07 -0.35 0.58 -0.91 -2.27 0.00 0.00 179.45 176.42 1dm5 h ASN 233 N -0.54 0.77 -0.09 4.20 -0.26 -0.93 0.34 115.58 119.07 1dm5 h ASN 233 Ca -0.00 0.03 -0.01 0.00 -0.56 0.00 0.00 56.30 55.75 1dm5 h ASN 233 Cb 0.51 -0.13 -0.00 0.00 -1.06 0.00 0.00 38.32 37.63 1dm5 h ASN 233 CO -0.06 0.44 0.02 1.23 -1.06 0.00 0.00 177.43 178.00 1dm5 h GLY 234 N 0.85 0.16 1.10 2.83 0.00 -0.41 -1.01 103.07 106.58 1dm5 h GLY 234 Ca 0.42 -0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.60 1dm5 h GLY 234 CO -0.19 0.10 0.28 1.41 0.00 0.00 0.00 176.54 178.14 1dm5 h LEU 235 N -0.08 1.05 -0.79 3.11 3.38 -0.84 -2.44 115.31 118.70 1dm5 h LEU 235 Ca 0.03 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 1dm5 h LEU 235 Cb 0.27 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1dm5 h LEU 235 CO 0.00 0.95 0.36 -0.07 0.09 0.00 0.00 178.44 179.77 1dm5 h LEU 236 N 1.10 1.05 -1.15 1.67 3.38 -0.85 -2.30 115.31 118.22 1dm5 h LEU 236 Ca 0.25 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1dm5 h LEU 236 Cb 0.24 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1dm5 h LEU 236 CO -0.02 0.90 0.26 0.00 0.09 0.00 0.00 178.44 179.68 1dm5 h ALA 237 N 1.19 1.34 -0.14 1.53 0.00 -0.76 -0.46 119.26 121.96 1dm5 h ALA 237 Ca 0.27 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1dm5 h ALA 237 Cb 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1dm5 h ALA 237 CO -0.03 0.51 0.02 0.82 0.00 0.00 0.00 179.25 180.56 1dm5 h ILE 238 N 0.85 1.23 -0.60 0.00 2.04 -1.12 0.50 117.51 120.40 1dm5 h ILE 238 Ca 0.21 -0.73 0.01 0.00 1.00 0.00 0.00 64.86 65.35 1dm5 h ILE 238 Cb 0.13 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 1dm5 h ILE 238 CO -0.02 0.22 0.39 0.58 0.00 0.00 0.00 178.15 179.31 1dm5 h VAL 239 N 0.01 1.13 -0.32 1.67 2.07 -1.03 -1.54 116.25 118.24 1dm5 h VAL 239 Ca 0.04 -0.27 -0.09 0.00 0.82 0.00 0.00 66.70 67.20 1dm5 h VAL 239 Cb 0.31 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 1dm5 h VAL 239 CO 0.00 0.14 -0.18 0.11 0.02 0.00 0.00 177.57 177.67 1dm5 h LYS 240 N 0.79 0.58 -0.38 1.57 1.57 -1.02 -1.93 116.57 117.76 1dm5 h LYS 240 Ca 0.23 -0.20 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 1dm5 h LYS 240 Cb -0.07 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1dm5 h LYS 240 CO -0.06 0.73 -0.13 0.77 -0.57 0.00 0.00 179.45 180.20 1dm5 h SER 241 N 0.52 0.66 -0.15 0.86 0.02 -0.41 -0.72 113.55 114.32 1dm5 h SER 241 Ca 0.09 -0.19 -0.06 0.00 -0.84 0.00 0.00 61.79 60.78 1dm5 h SER 241 Cb 0.60 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.96 1dm5 h SER 241 CO 0.04 0.81 -0.14 0.58 -1.14 0.00 0.00 176.83 176.98 1dm5 h VAL 242 N 0.61 1.34 -0.30 2.27 2.07 -1.04 -3.11 116.25 118.09 1dm5 h VAL 242 Ca 0.10 -1.29 -0.13 0.00 0.82 0.00 0.00 66.70 66.21 1dm5 h VAL 242 Cb 0.57 1.85 -0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1dm5 h VAL 242 CO 0.04 0.38 -0.32 -0.33 0.02 0.00 0.00 177.57 177.36 1dm5 h GLU 243 N -0.00 0.74 -0.45 1.57 4.39 -1.27 -3.44 114.58 116.12 1dm5 h GLU 243 Ca 0.03 -0.40 0.09 0.00 0.34 0.00 0.00 59.36 59.42 1dm5 h GLU 243 Cb 0.67 0.02 -0.18 0.00 -0.10 0.00 0.00 28.75 29.15 1dm5 h GLU 243 CO 0.04 1.02 -0.19 1.21 -1.16 0.00 0.00 179.01 179.92 1dm5 s ASN 244 N -6.61 -0.70 0.30 1.42 3.84 -0.29 -5.04 114.94 107.87 1dm5 s ASN 244 Ca -0.12 -0.27 -0.02 0.00 0.21 0.00 0.00 52.86 52.66 1dm5 s ASN 244 Cb 0.09 1.00 0.46 0.00 -0.55 0.00 0.00 41.25 42.25 1dm5 s ASN 244 CO 0.84 -0.09 1.97 -0.09 -2.79 0.00 0.00 177.10 176.95 1dm5 h ARG 245 N 6.19 1.06 -0.73 0.43 2.43 -1.62 -2.06 114.38 120.08 1dm5 h ARG 245 Ca -0.02 -0.06 0.10 0.00 -0.81 0.00 0.00 59.98 59.19 1dm5 h ARG 245 Cb 1.21 -0.24 -0.08 0.00 -0.42 0.00 0.00 29.97 30.45 1dm5 h ARG 245 CO -0.02 0.70 0.36 0.74 -1.51 0.00 0.00 179.97 180.24 1dm5 h PHE 246 N 1.09 0.64 -0.69 2.20 0.04 -1.90 -1.13 116.94 117.19 1dm5 h PHE 246 Ca 0.30 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 61.05 1dm5 h PHE 246 Cb -0.13 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 37.82 1dm5 h PHE 246 CO -0.00 0.21 0.24 0.00 -0.60 0.00 0.00 178.31 178.17 1dm5 h ALA 247 N 1.46 0.90 -0.37 2.45 0.00 -1.75 0.12 119.26 122.07 1dm5 h ALA 247 Ca 0.37 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1dm5 h ALA 247 Cb 0.42 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1dm5 h ALA 247 CO -0.29 0.55 0.08 -0.92 0.00 0.00 0.00 179.25 178.67 1dm5 h TYR 248 N 1.00 0.13 -0.35 0.00 5.03 -0.77 0.50 116.97 122.51 1dm5 h TYR 248 Ca 0.23 0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.50 1dm5 h TYR 248 Cb 0.26 -0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.52 1dm5 h TYR 248 CO 0.02 0.02 -0.02 0.74 -1.32 0.00 0.00 178.16 177.60 1dm5 h PHE 249 N 0.21 0.70 -0.60 -3.82 0.04 -0.95 -0.19 116.94 112.32 1dm5 h PHE 249 Ca 0.18 -0.13 0.06 0.00 2.80 0.00 0.00 57.97 60.88 1dm5 h PHE 249 Cb 0.20 -0.18 -0.06 0.00 2.20 0.00 0.00 35.95 38.11 1dm5 h PHE 249 CO -0.19 0.75 0.30 0.00 -0.60 0.00 0.00 178.31 178.57 1dm5 h ALA 250 N 0.85 0.79 -0.73 2.45 0.00 -0.38 0.11 119.26 122.35 1dm5 h ALA 250 Ca 0.10 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1dm5 h ALA 250 Cb 0.49 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1dm5 h ALA 250 CO 0.02 -0.06 0.40 1.49 0.00 0.00 0.00 179.25 181.10 1dm5 h GLU 251 N 0.55 1.02 -0.34 0.00 4.81 0.39 -0.57 114.58 120.45 1dm5 h GLU 251 Ca 0.28 -0.12 -0.16 0.00 -0.13 0.00 0.00 59.36 59.23 1dm5 h GLU 251 Cb 0.22 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1dm5 h GLU 251 CO -0.21 0.76 -0.42 0.00 -0.73 0.00 0.00 179.01 178.41 1dm5 h ARG 252 N 1.01 0.85 -0.58 1.92 2.47 -0.21 -1.98 114.38 117.86 1dm5 h ARG 252 Ca 0.26 -0.46 0.04 0.00 -1.26 0.00 0.00 59.98 58.55 1dm5 h ARG 252 Cb 0.04 0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 28.34 1dm5 h ARG 252 CO -0.04 1.10 0.33 -0.07 0.56 0.00 0.00 179.97 181.85 1dm5 h LEU 253 N 0.68 0.51 -0.32 3.04 3.38 -0.40 -0.27 115.31 121.94 1dm5 h LEU 253 Ca 0.05 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1dm5 h LEU 253 Cb 1.00 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1dm5 h LEU 253 CO 0.10 0.35 0.19 -0.74 0.09 0.00 0.00 178.44 178.43 1dm5 h HIS 254 N 0.64 0.43 -0.45 1.13 2.76 -1.01 -2.46 115.15 116.18 1dm5 h HIS 254 Ca 0.24 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.45 1dm5 h HIS 254 Cb 0.09 -0.14 -0.04 0.00 1.55 0.00 0.00 27.41 28.87 1dm5 h HIS 254 CO -0.07 0.32 0.22 1.25 -1.30 0.00 0.00 177.93 178.35 1dm5 h HIS 255 N 0.41 0.41 0.00 5.26 -0.00 -0.65 -1.82 115.15 118.75 1dm5 h HIS 255 Ca 0.11 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.48 1dm5 h HIS 255 Cb 0.02 -0.12 -0.00 0.00 -0.00 0.00 0.00 27.41 27.31 1dm5 h HIS 255 CO -0.04 0.21 -0.12 0.00 -0.00 0.00 0.00 177.93 177.98 1dm5 h ALA 256 N 1.24 1.78 -0.14 5.26 0.00 -0.86 -1.17 119.26 125.38 1dm5 h ALA 256 Ca 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1dm5 h ALA 256 Cb 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1dm5 h ALA 256 CO -0.14 0.15 0.00 -1.33 0.00 0.00 0.00 179.25 177.93 1dm5 n MET 257 N -4.37 1.99 -2.34 0.00 2.81 -0.89 -1.55 117.12 112.78 1dm5 n MET 257 Ca -0.03 -1.47 -0.28 0.00 -1.81 0.00 0.00 57.70 54.11 1dm5 n MET 257 Cb 0.19 -1.46 0.01 0.00 -0.71 0.00 0.00 33.22 31.26 1dm5 n MET 257 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1dm5 s LYS 258 N -1.84 3.37 0.00 0.03 2.47 -0.44 -4.88 119.74 118.45 1dm5 s LYS 258 Ca 0.34 0.31 0.00 0.00 -1.56 0.00 0.00 55.97 55.06 1dm5 s LYS 258 Cb 0.20 -2.25 0.00 0.00 -1.46 0.00 0.00 37.83 34.32 1dm5 s LYS 258 CO 0.30 -0.47 0.00 0.41 0.16 0.00 0.00 175.35 175.76 1dm5 n GLY 259 N -2.51 -0.63 2.16 5.54 0.00 -1.26 -4.48 105.19 104.01 1dm5 n GLY 259 Ca 0.03 -1.75 -0.21 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.71 6.47 0.00 0.99 7.99 -1.26 -4.83 117.00 125.65 1dm5 n LEU 260 Ca 0.00 -3.64 0.00 0.00 -0.01 0.00 0.00 56.01 52.36 1dm5 n LEU 260 Cb 0.00 -1.14 0.00 0.00 -0.11 0.00 0.00 43.42 42.17 1dm5 n LEU 260 CO 0.00 1.46 0.00 0.61 -1.51 0.00 0.00 177.39 177.95 1dm5 n GLY 261 N 0.59 2.06 3.38 -0.72 0.00 -1.26 -5.18 105.19 104.07 1dm5 n GLY 261 Ca 0.39 -0.48 -0.07 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.60 -0.50 -1.05 2.61 2.01 -1.26 -4.62 115.64 111.23 1dm5 s THR 262 Ca 0.00 0.10 -0.23 0.00 0.31 0.00 0.00 61.69 61.87 1dm5 s THR 262 Cb 0.00 -0.76 0.04 0.00 0.01 0.00 0.00 72.50 71.79 1dm5 s THR 262 CO 0.00 0.04 1.56 -0.55 -0.69 0.00 0.00 174.62 174.98 1dm5 s SER 263 N 2.29 6.34 0.50 3.53 0.15 -0.60 -4.73 113.70 121.19 1dm5 s SER 263 Ca -0.05 -1.49 0.23 0.00 0.70 0.00 0.00 55.95 55.34 1dm5 s SER 263 Cb -0.10 -2.57 1.34 0.00 -1.71 0.00 0.00 66.02 62.98 1dm5 s SER 263 CO -0.15 -1.66 2.06 0.44 1.20 0.00 0.00 173.24 175.14 1dm5 h ASP 264 N 9.69 0.00 0.11 5.45 3.32 -1.97 -2.34 116.42 130.69 1dm5 h ASP 264 Ca 0.22 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.29 1dm5 h ASP 264 Cb 0.99 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.51 1dm5 h ASP 264 CO 1.40 0.13 -0.22 0.11 -1.72 0.00 0.00 179.24 178.94 1dm5 h LYS 265 N 0.00 -0.40 -0.33 3.56 1.57 -1.99 -0.17 116.57 118.81 1dm5 h LYS 265 Ca -0.00 0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.70 1dm5 h LYS 265 Cb 0.30 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1dm5 h LYS 265 CO 0.02 -0.27 -0.22 1.15 -0.57 0.00 0.00 179.45 179.56 1dm5 h THR 266 N -0.42 1.29 0.39 -0.16 2.02 -1.90 -2.05 112.91 112.09 1dm5 h THR 266 Ca 0.03 -1.36 -0.01 0.00 0.77 0.00 0.00 66.41 65.84 1dm5 h THR 266 Cb 0.44 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 1dm5 h THR 266 CO -0.13 0.44 -0.24 0.25 0.37 0.00 0.00 175.52 176.21 1dm5 h LEU 267 N 0.51 -0.61 -0.54 2.58 5.85 -1.29 -1.78 115.31 120.03 1dm5 h LEU 267 Ca 0.07 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.87 1dm5 h LEU 267 Cb 0.77 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.94 1dm5 h LEU 267 CO 0.06 -0.39 0.29 0.40 -0.34 0.00 0.00 178.44 178.46 1dm5 h ILE 268 N -0.61 0.97 -0.47 4.05 2.04 -1.06 -2.14 117.51 120.28 1dm5 h ILE 268 Ca -0.04 -0.19 0.03 0.00 1.00 0.00 0.00 64.86 65.66 1dm5 h ILE 268 Cb 0.50 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 1dm5 h ILE 268 CO 0.04 0.10 0.26 -0.09 0.00 0.00 0.00 178.15 178.46 1dm5 h ARG 269 N 0.55 0.50 0.00 2.37 2.43 -1.17 -1.48 114.38 117.58 1dm5 h ARG 269 Ca 0.24 -0.03 -0.26 0.00 -0.81 0.00 0.00 59.98 59.11 1dm5 h ARG 269 Cb 0.13 -0.11 0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1dm5 h ARG 269 CO -0.15 0.33 -1.04 0.82 -1.51 0.00 0.00 179.97 178.41 1dm5 h ILE 270 N 0.51 1.29 -0.06 1.20 2.04 -1.07 -0.75 117.51 120.67 1dm5 h ILE 270 Ca 0.20 -2.27 -0.01 0.00 1.00 0.00 0.00 64.86 63.78 1dm5 h ILE 270 Cb 0.07 2.39 -0.00 0.00 -0.74 0.00 0.00 36.82 38.54 1dm5 h ILE 270 CO -0.12 0.70 0.01 -0.07 0.00 0.00 0.00 178.15 178.67 1dm5 h LEU 271 N 0.38 0.10 0.00 1.44 3.38 -1.34 -2.58 115.31 116.69 1dm5 h LEU 271 Ca -0.13 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 1dm5 h LEU 271 Cb 1.69 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.41 1dm5 h LEU 271 CO 0.20 0.33 -0.00 0.58 0.09 0.00 0.00 178.44 179.64 1dm5 h VAL 272 N -0.13 1.20 0.00 1.22 2.07 -1.33 -1.88 116.25 117.40 1dm5 h VAL 272 Ca 0.02 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 1dm5 h VAL 272 Cb 0.27 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1dm5 h VAL 272 CO 0.00 0.16 -0.03 0.77 0.02 0.00 0.00 177.57 178.49 1dm5 h SER 273 N -0.26 0.00 0.00 0.57 4.64 -1.15 -2.98 113.55 114.37 1dm5 h SER 273 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1dm5 h SER 273 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1dm5 h SER 273 CO 0.00 0.03 -0.85 0.54 -0.87 0.00 0.00 176.83 175.68 1dm5 n ARG 274 N -3.87 2.12 -0.35 4.77 5.12 -0.97 -4.63 116.66 118.85 1dm5 n ARG 274 Ca -0.03 -0.03 0.37 0.00 -1.93 0.00 0.00 57.85 56.23 1dm5 n ARG 274 Cb 0.11 -1.17 0.72 0.00 -1.16 0.00 0.00 32.46 30.96 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 0.00 0.00 0.55 4.64 -1.17 0.21 113.55 117.78 1dm5 h SER 275 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1dm5 h SER 275 Cb 0.38 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.44 1dm5 h SER 275 CO 0.00 0.00 -0.35 -0.62 -0.87 0.00 0.00 176.83 174.99 1dm5 n GLU 276 N -3.91 1.24 0.02 4.77 1.02 -1.26 -0.11 120.64 122.41 1dm5 n GLU 276 Ca 0.27 -2.78 0.00 0.00 -0.02 0.00 0.00 57.16 54.64 1dm5 n GLU 276 Cb 1.40 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 31.45 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 -1.04 0.25 -2.02 -3.67 5.41 0.64 -4.47 119.36 114.47 1dm5 n ILE 277 Ca 0.16 0.08 -0.00 0.00 1.00 0.00 0.00 62.75 63.99 1dm5 n ILE 277 Cb 0.71 -0.92 -0.00 0.00 -0.71 0.00 0.00 39.64 38.72 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 -2.77 0.01 0.30 4.38 5.75 -0.60 -2.79 116.55 120.83 1dm5 n ASP 278 Ca 0.00 -1.60 0.17 0.00 -0.01 0.00 0.00 54.79 53.34 1dm5 n ASP 278 Cb 0.00 -0.11 0.93 0.00 -1.03 0.00 0.00 41.12 40.90 1dm5 n ASP 278 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1dm5 h LEU 279 N 0.03 0.00 0.08 -2.12 5.85 -1.47 -0.50 115.31 117.18 1dm5 h LEU 279 Ca -0.02 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1dm5 h LEU 279 Cb 1.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.29 1dm5 h LEU 279 CO -0.00 0.04 -0.04 0.00 -0.34 0.00 0.00 178.44 178.09 1dm5 h ALA 280 N 1.96 -0.10 -0.22 1.25 0.00 -1.64 -1.27 119.26 119.25 1dm5 h ALA 280 Ca -0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1dm5 h ALA 280 Cb 0.13 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1dm5 h ALA 280 CO 0.00 -0.38 0.05 -0.91 0.00 0.00 0.00 179.25 178.01 1dm5 h ASN 281 N -0.46 0.27 -0.14 0.00 4.21 -1.42 -1.92 115.58 116.12 1dm5 h ASN 281 Ca -0.01 -0.03 -0.11 0.00 1.21 0.00 0.00 56.30 57.36 1dm5 h ASN 281 Cb 0.39 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 37.51 1dm5 h ASN 281 CO 0.02 0.29 -0.26 0.40 -1.29 0.00 0.00 177.43 176.58 1dm5 h ILE 282 N 0.30 1.27 -0.67 2.81 2.04 -1.00 -2.61 117.51 119.66 1dm5 h ILE 282 Ca 0.08 -1.34 -0.08 0.00 1.00 0.00 0.00 64.86 64.51 1dm5 h ILE 282 Cb 0.13 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 1dm5 h ILE 282 CO -0.00 0.43 0.10 0.11 0.00 0.00 0.00 178.15 178.79 1dm5 h LYS 283 N 0.53 1.11 0.88 2.37 1.57 -0.44 -0.86 116.57 121.72 1dm5 h LYS 283 Ca 0.07 -0.30 -0.04 0.00 -1.87 0.00 0.00 60.65 58.51 1dm5 h LYS 283 Cb 0.73 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.92 1dm5 h LYS 283 CO 0.06 1.02 -0.42 0.93 -0.57 0.00 0.00 179.45 180.46 1dm5 h GLU 284 N 1.03 -1.14 -1.00 3.15 5.08 -1.31 -0.35 114.58 120.04 1dm5 h GLU 284 Ca 0.20 0.08 0.21 0.00 -1.00 0.00 0.00 59.36 58.85 1dm5 h GLU 284 Cb 0.46 0.26 -0.10 0.00 0.50 0.00 0.00 28.75 29.86 1dm5 h GLU 284 CO 0.02 -0.76 0.62 1.15 -1.00 0.00 0.00 179.01 179.03 1dm5 h THR 285 N -1.20 0.66 -0.48 1.13 2.02 -1.49 0.65 112.91 114.21 1dm5 h THR 285 Ca -0.12 -0.22 -0.05 0.00 0.77 0.00 0.00 66.41 66.79 1dm5 h THR 285 Cb 0.91 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 1dm5 h THR 285 CO 0.20 0.12 0.12 0.15 0.37 0.00 0.00 175.52 176.48 1dm5 h PHE 286 N 0.66 0.80 0.26 3.16 3.04 -1.05 0.18 116.94 123.99 1dm5 h PHE 286 Ca 0.58 -0.10 -0.01 0.00 3.98 0.00 0.00 57.97 62.42 1dm5 h PHE 286 Cb 1.05 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 39.33 1dm5 h PHE 286 CO -0.00 0.73 -0.13 0.37 -2.02 0.00 0.00 178.31 177.26 1dm5 h GLN 287 N 0.65 -0.34 -0.66 1.11 5.75 0.19 0.10 115.11 121.91 1dm5 h GLN 287 Ca 0.15 0.02 0.12 0.00 -0.15 0.00 0.00 58.65 58.79 1dm5 h GLN 287 Cb 0.33 0.08 -0.09 0.00 1.07 0.00 0.00 27.48 28.87 1dm5 h GLN 287 CO 0.00 -0.21 0.21 0.00 -2.65 0.00 0.00 178.83 176.18 1dm5 h ALA 288 N 0.37 0.85 0.04 3.38 0.00 -0.07 0.45 119.26 124.27 1dm5 h ALA 288 Ca -0.04 0.12 -0.23 0.00 0.00 0.00 0.00 54.91 54.77 1dm5 h ALA 288 Cb 0.28 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1dm5 h ALA 288 CO 0.06 -0.25 -1.01 0.52 0.00 0.00 0.00 179.25 178.57 1dm5 h MET 289 N 0.35 0.25 0.00 0.00 2.86 -0.29 -3.37 114.93 114.73 1dm5 h MET 289 Ca 0.35 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1dm5 h MET 289 Cb 0.51 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.28 1dm5 h MET 289 CO -0.39 1.07 -0.45 0.66 1.06 0.00 0.00 176.91 178.86 1dm5 n TYR 290 N -3.62 0.00 0.00 -0.22 4.01 0.33 -4.99 117.16 112.68 1dm5 n TYR 290 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 1dm5 n TYR 290 Cb 0.89 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.91 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 1.24 2.86 3.87 2.72 0.00 0.15 -4.99 105.19 111.05 1dm5 n GLY 291 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.13 3.32 0.69 1.61 2.20 -1.26 -4.98 119.74 121.19 1dm5 s LYS 292 Ca 0.00 -0.39 -0.14 0.00 -0.36 0.00 0.00 55.97 55.08 1dm5 s LYS 292 Cb 0.00 -3.02 0.01 0.00 -1.51 0.00 0.00 37.83 33.32 1dm5 s LYS 292 CO 0.00 0.66 1.11 -1.54 -0.36 0.00 0.00 175.35 175.22 1dm5 s SER 293 N -1.94 4.95 0.27 1.43 1.04 -1.26 -4.25 113.70 113.95 1dm5 s SER 293 Ca 0.27 1.96 -0.03 0.00 0.48 0.00 0.00 55.95 58.63 1dm5 s SER 293 Cb -0.12 -2.54 0.39 0.00 0.10 0.00 0.00 66.02 63.84 1dm5 s SER 293 CO 0.18 -1.74 1.92 0.25 0.98 0.00 0.00 173.24 174.83 1dm5 h LEU 294 N -0.25 1.04 -0.35 2.42 5.85 -1.89 -2.73 115.31 119.41 1dm5 h LEU 294 Ca -0.46 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.31 1dm5 h LEU 294 Cb 1.24 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.99 1dm5 h LEU 294 CO 0.53 0.71 0.05 0.22 -0.34 0.00 0.00 178.44 179.61 1dm5 h TYR 295 N 1.21 0.07 0.00 1.25 3.20 -1.83 -1.74 116.97 119.12 1dm5 h TYR 295 Ca 0.39 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.21 1dm5 h TYR 295 Cb 0.02 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 1dm5 h TYR 295 CO -0.00 -0.01 -0.35 0.93 -1.64 0.00 0.00 178.16 177.09 1dm5 h GLU 296 N 0.16 0.00 -0.16 1.82 5.08 -1.86 -1.13 114.58 118.49 1dm5 h GLU 296 Ca 0.17 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.48 1dm5 h GLU 296 Cb 0.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1dm5 h GLU 296 CO -0.24 0.35 -0.09 0.74 -1.00 0.00 0.00 179.01 178.77 1dm5 h PHE 297 N 0.00 0.39 -0.62 4.33 0.04 -1.14 0.27 116.94 120.21 1dm5 h PHE 297 Ca -0.00 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.67 1dm5 h PHE 297 Cb 0.82 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.85 1dm5 h PHE 297 CO 0.00 0.67 0.39 0.82 -0.60 0.00 0.00 178.31 179.59 1dm5 h ILE 298 N 0.01 1.17 -0.61 -0.55 2.04 -1.17 -0.63 117.51 117.76 1dm5 h ILE 298 Ca 0.03 -0.36 0.02 0.00 1.00 0.00 0.00 64.86 65.55 1dm5 h ILE 298 Cb 0.57 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 1dm5 h ILE 298 CO 0.03 0.17 0.39 0.00 0.00 0.00 0.00 178.15 178.74 1dm5 h ALA 299 N 1.21 0.79 -0.36 1.87 0.00 -1.15 0.12 119.26 121.73 1dm5 h ALA 299 Ca 0.23 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1dm5 h ALA 299 Cb -0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1dm5 h ALA 299 CO -0.04 0.17 -0.17 -0.44 0.00 0.00 0.00 179.25 178.76 1dm5 h ASP 300 N 0.79 0.66 0.57 0.00 5.19 -0.56 -3.32 116.42 119.75 1dm5 h ASP 300 Ca 0.24 -0.21 -0.15 0.00 -0.62 0.00 0.00 57.03 56.29 1dm5 h ASP 300 Cb -0.04 -0.18 -0.03 0.00 0.18 0.00 0.00 39.33 39.27 1dm5 h ASP 300 CO -0.08 0.84 -1.55 -0.67 -3.12 0.00 0.00 179.24 174.66 1dm5 n ASP 301 N -4.15 0.65 -4.81 6.45 2.03 -0.28 -4.99 116.55 111.45 1dm5 n ASP 301 Ca 0.01 0.28 -0.26 0.00 0.52 0.00 0.00 54.79 55.33 1dm5 n ASP 301 Cb 0.38 0.53 -0.05 0.00 -0.72 0.00 0.00 41.12 41.27 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 -4.05 0.42 0.80 0.00 1.04 -1.26 -4.79 113.70 105.85 1dm5 s SER 303 Ca 0.34 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.86 1dm5 s SER 303 Cb 0.01 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1dm5 s SER 303 CO 0.20 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.43 1dm5 n GLY 304 N 0.21 0.62 0.29 7.32 0.00 -1.26 -1.82 105.19 110.55 1dm5 n GLY 304 Ca -0.15 -0.80 0.11 0.00 0.00 0.00 0.00 46.02 45.19 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 5.04 0.00 0.29 1.61 3.45 -1.99 -0.92 116.42 123.89 1dm5 h ASP 305 Ca 0.00 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.45 1dm5 h ASP 305 Cb 0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 1dm5 h ASP 305 CO 0.00 0.00 -0.19 0.22 -1.57 0.00 0.00 179.24 177.70 1dm5 h TYR 306 N 0.00 -0.50 -0.57 4.55 3.20 -1.91 0.12 116.97 121.86 1dm5 h TYR 306 Ca 0.06 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1dm5 h TYR 306 Cb 0.26 0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.68 1dm5 h TYR 306 CO 0.00 -0.30 0.32 -0.22 -1.64 0.00 0.00 178.16 176.32 1dm5 h LYS 307 N -0.47 0.79 -0.66 1.82 3.64 -0.50 -2.17 116.57 119.03 1dm5 h LYS 307 Ca -0.03 -0.09 0.14 0.00 -1.27 0.00 0.00 60.65 59.40 1dm5 h LYS 307 Cb 0.40 -0.16 -0.10 0.00 -0.41 0.00 0.00 32.23 31.96 1dm5 h LYS 307 CO 0.02 0.61 0.08 0.22 -2.27 0.00 0.00 179.45 178.11 1dm5 h ASP 308 N 0.77 -0.13 -0.10 4.20 -0.00 -0.72 -0.24 116.42 120.21 1dm5 h ASP 308 Ca 0.20 0.14 -0.07 0.00 -0.00 0.00 0.00 57.03 57.31 1dm5 h ASP 308 Cb 0.04 0.23 0.00 0.00 -0.00 0.00 0.00 39.33 39.59 1dm5 h ASP 308 CO -0.03 -0.07 -0.20 0.25 -0.00 0.00 0.00 179.24 179.19 1dm5 h LEU 309 N 0.19 0.35 -0.57 2.28 5.85 -0.41 -1.52 115.31 121.50 1dm5 h LEU 309 Ca 0.35 -0.56 0.07 0.00 0.84 0.00 0.00 57.88 58.58 1dm5 h LEU 309 Cb 0.58 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.45 1dm5 h LEU 309 CO -0.50 0.85 0.25 -0.07 -0.34 0.00 0.00 178.44 178.62 1dm5 h LEU 310 N -0.13 0.31 -0.57 2.25 4.07 -1.01 -0.59 115.31 119.64 1dm5 h LEU 310 Ca 0.00 0.05 -0.02 0.00 0.08 0.00 0.00 57.88 57.99 1dm5 h LEU 310 Cb 0.79 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.50 1dm5 h LEU 310 CO 0.04 0.20 0.27 -0.07 -1.08 0.00 0.00 178.44 177.81 1dm5 h LEU 311 N 0.47 0.74 -0.95 1.67 3.38 -1.00 -1.33 115.31 118.29 1dm5 h LEU 311 Ca 0.27 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 1dm5 h LEU 311 Cb 0.25 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1dm5 h LEU 311 CO -0.23 0.66 -0.48 1.56 0.09 0.00 0.00 178.44 180.04 1dm5 h GLN 312 N 0.77 0.09 -0.19 1.13 4.20 -0.70 -0.11 115.11 120.29 1dm5 h GLN 312 Ca 0.19 -0.05 -0.13 0.00 0.06 0.00 0.00 58.65 58.73 1dm5 h GLN 312 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1dm5 h GLN 312 CO -0.02 0.56 -0.39 0.82 -0.67 0.00 0.00 178.83 179.13 1dm5 h ILE 313 N 0.07 1.33 -0.17 2.54 1.08 -0.72 -3.31 117.51 118.34 1dm5 h ILE 313 Ca 0.00 -1.62 -0.07 0.00 -0.39 0.00 0.00 64.86 62.78 1dm5 h ILE 313 Cb 0.89 1.88 -0.00 0.00 -3.07 0.00 0.00 36.82 36.51 1dm5 h ILE 313 CO 0.07 0.50 -0.16 0.74 -0.69 0.00 0.00 178.15 178.61 1dm5 h THR 314 N 0.28 1.34 0.00 -0.27 2.02 -1.11 -3.42 112.91 111.75 1dm5 h THR 314 Ca 0.01 -1.32 0.00 0.00 0.77 0.00 0.00 66.41 65.87 1dm5 h THR 314 Cb 0.99 1.83 0.00 0.00 -1.74 0.00 0.00 68.15 69.23 1dm5 h THR 314 CO 0.09 0.39 0.00 0.61 0.37 0.00 0.00 175.52 176.98 1dm5 n GLY 315 N 0.18 -1.75 0.00 2.16 0.00 -0.07 -4.88 105.19 100.84 1dm5 n GLY 315 Ca -0.06 -1.53 0.08 0.00 0.00 0.00 0.00 46.02 44.51 1dm5 n GLY 315 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74