#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dm8 n PRO 68 N 0.00 1.69 -0.33 1.61 -0.02 -1.26 -4.87 135.00 131.82 1dm8 n PRO 68 Ca 0.00 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1dm8 n PRO 68 Cb 0.00 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 1dm8 n PRO 68 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1dm8 n LYS 69 N 0.08 0.98 -4.24 -0.52 4.81 -1.26 -4.84 118.16 113.17 1dm8 n LYS 69 Ca 0.08 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.39 1dm8 n LYS 69 Cb 0.39 -1.01 -0.10 0.00 0.02 0.00 0.00 35.03 34.33 1dm8 n LYS 69 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1dm8 s PHE 70 N 0.04 1.20 0.16 5.64 0.40 -1.26 -5.11 117.98 119.04 1dm8 s PHE 70 Ca 0.00 -1.08 -0.33 0.00 -0.60 0.00 0.00 56.93 54.92 1dm8 s PHE 70 Cb 0.00 -0.68 -0.13 0.00 0.51 0.00 0.00 43.02 42.72 1dm8 s PHE 70 CO 0.00 -0.28 1.68 -2.30 0.70 0.00 0.00 175.22 175.02 1dm8 n PRO 71 N -0.25 2.45 -3.24 0.24 -0.02 -1.26 -4.81 135.00 128.11 1dm8 n PRO 71 Ca -0.05 0.89 -0.39 0.00 -2.02 0.00 0.00 63.50 61.92 1dm8 n PRO 71 Cb 0.64 -2.70 -0.07 0.00 -0.02 0.00 0.00 33.50 31.35 1dm8 n PRO 71 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1dm8 s ARG 72 N 1.45 4.19 -0.15 -0.52 3.52 -1.26 -1.91 118.95 124.26 1dm8 s ARG 72 Ca 0.79 0.42 -0.02 0.00 -0.13 0.00 0.00 55.73 56.78 1dm8 s ARG 72 Cb -0.60 -3.56 -0.02 0.00 -1.56 0.00 0.00 34.95 29.21 1dm8 s ARG 72 CO 0.37 -0.15 -0.07 0.08 -0.81 0.00 0.00 175.30 174.71 1dm8 s VAL 73 N 1.65 3.54 0.05 7.11 1.01 0.11 -4.98 120.40 128.88 1dm8 s VAL 73 Ca 0.24 -0.48 0.09 0.00 0.00 0.00 0.00 61.98 61.83 1dm8 s VAL 73 Cb -0.15 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 1dm8 s VAL 73 CO 0.10 0.50 -0.24 -0.75 0.00 0.00 0.00 175.10 174.71 1dm8 s LYS 74 N 0.42 1.85 -0.30 2.72 2.20 -1.26 -1.26 119.74 124.10 1dm8 s LYS 74 Ca -0.06 -1.09 -0.05 0.00 -0.36 0.00 0.00 55.97 54.40 1dm8 s LYS 74 Cb -0.15 -2.03 0.03 0.00 -1.51 0.00 0.00 37.83 34.17 1dm8 s LYS 74 CO 0.04 0.52 0.05 1.21 -0.36 0.00 0.00 175.35 176.80 1dm8 s ASN 75 N -1.37 4.98 0.08 1.43 3.84 -0.65 -1.53 114.94 121.72 1dm8 s ASN 75 Ca 0.13 -0.95 0.23 0.00 0.21 0.00 0.00 52.86 52.47 1dm8 s ASN 75 Cb -0.10 -1.81 0.91 0.00 -0.55 0.00 0.00 41.25 39.70 1dm8 s ASN 75 CO 0.03 -0.23 1.71 0.79 -2.79 0.00 0.00 177.10 176.61 1dm8 n TRP 76 N 4.77 0.29 0.01 0.43 7.02 0.01 0.47 117.44 130.45 1dm8 n TRP 76 Ca -0.14 0.10 -0.20 0.00 -1.02 0.00 0.00 57.50 56.24 1dm8 n TRP 76 Cb 0.46 -0.66 -0.14 0.00 -2.42 0.00 0.00 31.31 28.55 1dm8 n TRP 76 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 1dm8 h GLU 77 N 0.00 0.22 0.00 -0.99 4.81 -1.95 -3.37 114.58 113.30 1dm8 h GLU 77 Ca 0.00 -0.38 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1dm8 h GLU 77 Cb 0.43 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1dm8 h GLU 77 CO 0.00 1.18 -1.15 1.28 -0.73 0.00 0.00 179.01 179.60 1dm8 n LEU 78 N -4.15 0.61 0.00 1.64 4.77 -1.21 -4.98 117.00 113.68 1dm8 n LEU 78 Ca -0.18 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 1dm8 n LEU 78 Cb 0.79 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.82 1dm8 n LEU 78 CO 0.42 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1dm8 n GLY 79 N 1.39 0.46 3.83 -0.72 0.00 0.18 -4.99 105.19 105.33 1dm8 n GLY 79 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1dm8 n GLY 79 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dm8 s SER 80 N -2.26 6.44 0.04 1.61 1.04 -1.18 -4.84 113.70 114.54 1dm8 s SER 80 Ca 0.00 1.66 0.06 0.00 0.48 0.00 0.00 55.95 58.15 1dm8 s SER 80 Cb 0.00 -2.52 -0.02 0.00 0.10 0.00 0.00 66.02 63.58 1dm8 s SER 80 CO 0.00 -0.72 -0.17 -0.63 0.98 0.00 0.00 173.24 172.70 1dm8 s ILE 81 N -2.50 1.40 0.08 -1.02 -1.09 -1.26 -1.64 121.20 115.17 1dm8 s ILE 81 Ca 0.61 -1.08 -0.08 0.00 -2.23 0.00 0.00 60.65 57.86 1dm8 s ILE 81 Cb -0.12 -1.23 -0.00 0.00 -1.58 0.00 0.00 42.46 39.53 1dm8 s ILE 81 CO 0.30 0.12 0.17 0.42 -1.23 0.00 0.00 174.94 174.73 1dm8 s THR 82 N -0.80 0.15 -0.09 2.92 -4.23 -0.39 -5.00 115.64 108.20 1dm8 s THR 82 Ca 0.05 -1.20 0.04 0.00 -1.18 0.00 0.00 61.69 59.40 1dm8 s THR 82 Cb -0.08 -1.31 -0.01 0.00 1.34 0.00 0.00 72.50 72.44 1dm8 s THR 82 CO 0.01 -0.66 -0.22 -0.31 -0.54 0.00 0.00 174.62 172.90 1dm8 s TYR 83 N -3.75 2.57 -0.41 3.99 1.51 -1.26 0.05 117.35 120.05 1dm8 s TYR 83 Ca 0.04 -0.86 -0.22 0.00 -1.01 0.00 0.00 57.07 55.02 1dm8 s TYR 83 Cb 0.05 -1.69 0.02 0.00 -0.11 0.00 0.00 41.96 40.22 1dm8 s TYR 83 CO -0.10 -0.31 0.73 0.34 -1.11 0.00 0.00 175.55 175.10 1dm8 s ASP 84 N 0.16 6.43 -0.00 2.29 -1.08 -0.80 -4.72 116.67 118.94 1dm8 s ASP 84 Ca -0.12 0.01 0.15 0.00 -0.52 0.00 0.00 52.55 52.07 1dm8 s ASP 84 Cb -0.16 -2.36 -0.18 0.00 -1.46 0.00 0.00 42.92 38.75 1dm8 s ASP 84 CO 0.07 -0.79 0.57 0.35 0.52 0.00 0.00 175.17 175.89 1dm8 n THR 85 N 5.90 0.00 -0.03 1.71 -2.24 0.04 -3.98 114.28 115.67 1dm8 n THR 85 Ca 0.01 -0.19 -0.04 0.00 -2.27 0.00 0.00 64.05 61.56 1dm8 n THR 85 Cb 0.48 0.82 0.17 0.00 -2.10 0.00 0.00 70.33 69.71 1dm8 n THR 85 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1dm8 h LEU 86 N 0.00 0.60 -2.60 3.22 5.85 -1.66 -2.75 115.31 117.98 1dm8 h LEU 86 Ca 0.00 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1dm8 h LEU 86 Cb 0.43 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 1dm8 h LEU 86 CO 0.00 0.80 0.13 0.00 -0.34 0.00 0.00 178.44 179.02 1dm8 h ALA 88 N 1.75 1.00 -0.00 0.00 0.00 -1.79 -1.01 119.26 119.21 1dm8 h ALA 88 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1dm8 h ALA 88 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1dm8 h ALA 88 CO -0.00 0.00 -0.40 1.04 0.00 0.00 0.00 179.25 179.89 1dm8 n GLN 89 N -2.39 0.51 -1.92 0.00 1.13 0.75 -4.92 117.38 110.53 1dm8 n GLN 89 Ca -0.00 -0.31 -0.42 0.00 -1.94 0.00 0.00 57.00 54.33 1dm8 n GLN 89 Cb 0.13 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 28.95 1dm8 n GLN 89 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1dm8 s SER 90 N -2.71 6.57 0.00 1.08 0.15 -0.39 -4.88 113.70 113.52 1dm8 s SER 90 Ca 0.18 2.65 0.10 0.00 0.70 0.00 0.00 55.95 59.58 1dm8 s SER 90 Cb 0.18 -2.60 0.16 0.00 -1.71 0.00 0.00 66.02 62.06 1dm8 s SER 90 CO 0.61 -0.82 0.99 0.00 1.20 0.00 0.00 173.24 175.22 1dm8 n GLN 91 N 3.71 1.47 -4.33 5.44 1.13 -1.26 -4.98 117.38 118.57 1dm8 n GLN 91 Ca 0.13 -1.48 -0.19 0.00 -1.94 0.00 0.00 57.00 53.52 1dm8 n GLN 91 Cb 0.38 -1.21 -0.15 0.00 0.11 0.00 0.00 30.24 29.37 1dm8 n GLN 91 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 1dm8 s GLN 92 N -0.90 0.76 0.41 -1.09 0.74 -1.26 -5.14 119.66 113.19 1dm8 s GLN 92 Ca 0.15 -0.28 -0.23 0.00 0.05 0.00 0.00 55.36 55.06 1dm8 s GLN 92 Cb 0.09 -0.73 -0.09 0.00 1.10 0.00 0.00 33.01 33.37 1dm8 s GLN 92 CO 0.13 0.13 1.01 -0.51 -0.55 0.00 0.00 175.29 175.50 1dm8 s ASP 93 N 0.02 6.81 0.02 6.67 1.01 -1.26 -4.38 116.67 125.57 1dm8 s ASP 93 Ca -0.00 1.90 0.00 0.00 0.71 0.00 0.00 52.55 55.16 1dm8 s ASP 93 Cb -0.06 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.30 1dm8 s ASP 93 CO -0.00 -0.45 0.00 0.61 0.21 0.00 0.00 175.17 175.54 1dm8 n GLY 94 N 0.02 1.83 0.02 0.21 0.00 -1.26 -4.74 105.19 101.27 1dm8 n GLY 94 Ca 0.06 -2.08 0.13 0.00 0.00 0.00 0.00 46.02 44.12 1dm8 n GLY 94 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1dm8 n PRO 95 N -0.65 0.08 -2.51 1.61 -0.04 -1.26 -4.97 135.00 127.26 1dm8 n PRO 95 Ca 0.00 -0.04 -0.27 0.00 -0.04 0.00 0.00 63.50 63.15 1dm8 n PRO 95 Cb 0.00 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 31.98 1dm8 n PRO 95 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1dm8 s THR 97 N -2.88 0.12 0.51 0.00 -4.23 -1.00 -5.02 115.64 103.14 1dm8 s THR 97 Ca 0.51 -1.10 0.28 0.00 -1.18 0.00 0.00 61.69 60.20 1dm8 s THR 97 Cb -0.10 -1.40 0.46 0.00 1.34 0.00 0.00 72.50 72.80 1dm8 s THR 97 CO 0.45 -0.52 1.88 -0.65 -0.54 0.00 0.00 174.62 175.23 1dm8 h PRO 98 N 2.64 0.10 -0.33 3.99 0.11 -2.05 -1.85 132.00 134.60 1dm8 h PRO 98 Ca -0.34 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.64 1dm8 h PRO 98 Cb 1.22 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1dm8 h PRO 98 CO 0.53 0.06 -0.30 -0.09 -0.21 0.00 0.00 178.00 178.00 1dm8 h ARG 99 N 0.10 0.79 -2.42 1.05 2.43 -2.02 -3.46 114.38 110.85 1dm8 h ARG 99 Ca 0.44 -0.40 -0.09 0.00 -0.81 0.00 0.00 59.98 59.13 1dm8 h ARG 99 Cb 1.59 0.01 -0.22 0.00 -0.42 0.00 0.00 29.97 30.93 1dm8 h ARG 99 CO -0.06 1.03 -0.06 -0.98 -1.51 0.00 0.00 179.97 178.39 1dm8 s ARG 100 N -4.41 0.67 -0.17 0.20 3.03 -0.70 -5.15 118.95 112.43 1dm8 s ARG 100 Ca -0.12 0.67 -0.19 0.00 2.03 0.00 0.00 55.73 58.12 1dm8 s ARG 100 Cb 0.10 0.33 -0.03 0.00 -1.03 0.00 0.00 34.95 34.31 1dm8 s ARG 100 CO 0.84 -0.10 0.52 0.00 -1.13 0.00 0.00 175.30 175.44 1dm8 n LEU 102 N 4.41 3.59 0.14 0.00 4.77 -1.26 -4.77 117.00 123.87 1dm8 n LEU 102 Ca -0.05 -3.38 0.09 0.00 -0.03 0.00 0.00 56.01 52.64 1dm8 n LEU 102 Cb 0.51 -0.56 0.49 0.00 -2.33 0.00 0.00 43.42 41.54 1dm8 n LEU 102 CO 0.43 0.95 0.78 0.61 -1.33 0.00 0.00 177.39 178.83 1dm8 n GLY 103 N -0.96 -0.82 0.94 -0.72 0.00 -1.26 -1.79 105.19 100.58 1dm8 n GLY 103 Ca 0.24 0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.55 1dm8 n GLY 103 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1dm8 n SER 104 N -2.14 2.87 -4.71 1.61 3.41 -1.26 -4.90 113.62 108.51 1dm8 n SER 104 Ca -0.01 -1.91 -0.41 0.00 -0.26 0.00 0.00 58.87 56.28 1dm8 n SER 104 Cb 0.03 -0.12 -0.04 0.00 -0.26 0.00 0.00 64.21 63.83 1dm8 n SER 104 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1dm8 s LEU 105 N -1.74 4.31 0.07 1.04 1.02 -0.74 -4.96 118.68 117.68 1dm8 s LEU 105 Ca 0.34 1.34 -0.22 0.00 0.02 0.00 0.00 54.13 55.60 1dm8 s LEU 105 Cb 0.21 -3.27 -0.13 0.00 0.02 0.00 0.00 46.19 43.02 1dm8 s LEU 105 CO 0.31 -0.21 1.58 0.58 0.02 0.00 0.00 176.35 178.63 1dm8 h VAL 106 N 4.85 1.16 -2.43 -1.59 2.07 -1.91 -3.38 116.25 115.02 1dm8 h VAL 106 Ca -0.39 -0.49 -0.59 0.00 0.82 0.00 0.00 66.70 66.05 1dm8 h VAL 106 Cb 1.19 1.33 -0.40 0.00 -1.52 0.00 0.00 31.29 31.89 1dm8 h VAL 106 CO 0.77 0.14 -0.85 0.18 0.02 0.00 0.00 177.57 177.83 1dm8 n LEU 107 N -4.91 1.17 -4.84 2.57 4.77 -1.26 -5.10 117.00 109.40 1dm8 n LEU 107 Ca -0.06 -4.81 -0.32 0.00 -0.03 0.00 0.00 56.01 50.78 1dm8 n LEU 107 Cb 0.13 0.07 -0.05 0.00 -2.33 0.00 0.00 43.42 41.23 1dm8 n LEU 107 CO 0.34 1.91 0.64 -2.16 -1.33 0.00 0.00 177.39 176.80 1dm8 s PRO 108 N -0.99 4.06 -0.87 3.23 0.04 -1.26 -4.88 135.00 134.34 1dm8 s PRO 108 Ca 0.33 0.98 -0.23 0.00 0.04 0.00 0.00 61.00 62.11 1dm8 s PRO 108 Cb 0.07 -2.19 -0.16 0.00 0.04 0.00 0.00 34.50 32.27 1dm8 s PRO 108 CO -0.14 -0.13 1.91 0.54 0.04 0.00 0.00 177.00 179.21 1dm8 n ARG 109 N -1.11 1.36 0.00 4.56 5.12 -1.26 -4.56 116.66 120.77 1dm8 n ARG 109 Ca 0.06 -2.00 0.00 0.00 -1.93 0.00 0.00 57.85 53.99 1dm8 n ARG 109 Cb 0.54 -3.21 0.00 0.00 -1.16 0.00 0.00 32.46 28.63 1dm8 n ARG 109 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1dm8 n LYS 110 N 7.58 0.00 -0.28 5.56 4.76 -1.26 -4.92 118.16 129.61 1dm8 n LYS 110 Ca 0.47 0.00 0.09 0.00 -2.87 0.00 0.00 58.31 56.01 1dm8 n LYS 110 Cb 0.43 0.00 0.24 0.00 -1.84 0.00 0.00 35.03 33.86 1dm8 n LYS 110 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1dm8 h LEU 111 N 0.00 0.12 0.00 -0.35 4.07 -1.85 -3.45 115.31 113.85 1dm8 h LEU 111 Ca 0.00 0.16 0.00 0.00 0.08 0.00 0.00 57.88 58.12 1dm8 h LEU 111 Cb 0.00 0.19 0.00 0.00 1.08 0.00 0.00 40.66 41.93 1dm8 h LEU 111 CO 0.00 -0.04 0.00 1.67 -1.08 0.00 0.00 178.44 178.99 1dm8 n GLN 112 N -5.13 0.00 -1.08 1.13 -0.06 -1.26 -4.66 117.38 106.32 1dm8 n GLN 112 Ca 0.18 0.00 -0.36 0.00 -2.00 0.00 0.00 57.00 54.82 1dm8 n GLN 112 Cb 0.56 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.71 1dm8 n GLN 112 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 1dm8 n THR 113 N 0.00 2.32 -1.85 1.69 -2.24 0.43 -4.94 114.28 109.69 1dm8 n THR 113 Ca 0.00 -1.74 -0.38 0.00 -2.27 0.00 0.00 64.05 59.65 1dm8 n THR 113 Cb 0.00 -2.30 0.03 0.00 -2.10 0.00 0.00 70.33 65.96 1dm8 n THR 113 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1dm8 s ARG 114 N 4.13 3.26 -0.11 -0.78 6.06 -1.26 -4.10 118.95 126.16 1dm8 s ARG 114 Ca 0.51 2.19 -0.29 0.00 -2.50 0.00 0.00 55.73 55.63 1dm8 s ARG 114 Cb 0.13 -2.31 -0.06 0.00 0.06 0.00 0.00 34.95 32.77 1dm8 s ARG 114 CO 0.04 -1.08 2.05 -2.14 -2.50 0.00 0.00 175.30 171.67 1dm8 s PRO 115 N -2.84 3.64 -0.91 5.12 0.02 -1.26 -4.92 135.00 133.83 1dm8 s PRO 115 Ca 0.70 2.25 -0.02 0.00 0.02 0.00 0.00 61.00 63.95 1dm8 s PRO 115 Cb -0.39 -4.25 0.25 0.00 0.02 0.00 0.00 34.50 30.13 1dm8 s PRO 115 CO 0.47 -1.53 0.93 -1.13 -0.33 0.00 0.00 177.00 175.41 1dm8 n SER 116 N 9.56 4.65 0.00 2.53 3.41 -1.26 -5.00 113.62 127.51 1dm8 n SER 116 Ca 0.24 -3.22 0.00 0.00 -0.26 0.00 0.00 58.87 55.63 1dm8 n SER 116 Cb 0.43 -1.06 0.00 0.00 -0.26 0.00 0.00 64.21 63.32 1dm8 n SER 116 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1dm8 n PRO 117 N 1.94 0.00 -1.43 4.33 -0.02 -1.26 -4.62 135.00 133.93 1dm8 n PRO 117 Ca 0.24 0.00 -0.56 0.00 -2.02 0.00 0.00 63.50 61.16 1dm8 n PRO 117 Cb 0.37 -0.46 -0.08 0.00 -0.02 0.00 0.00 33.50 33.31 1dm8 n PRO 117 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dm8 n GLY 118 N 0.00 -0.06 1.38 -1.23 0.00 -1.26 -4.22 105.19 99.80 1dm8 n GLY 118 Ca 0.00 0.78 -0.17 0.00 0.00 0.00 0.00 46.02 46.62 1dm8 n GLY 118 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1dm8 n PRO 119 N 2.35 0.00 -2.48 1.61 -0.02 -1.26 -4.94 135.00 130.26 1dm8 n PRO 119 Ca 0.22 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.39 1dm8 n PRO 119 Cb 0.01 -0.42 -0.02 0.00 -0.02 0.00 0.00 33.50 33.05 1dm8 n PRO 119 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1dm8 s PRO 120 N -0.42 3.78 -0.15 0.52 0.04 -1.26 -4.98 135.00 132.53 1dm8 s PRO 120 Ca 0.25 0.67 -0.37 0.00 0.04 0.00 0.00 61.00 61.60 1dm8 s PRO 120 Cb -0.26 -2.24 -0.13 0.00 0.04 0.00 0.00 34.50 31.91 1dm8 s PRO 120 CO 0.27 -0.24 1.81 -2.30 0.04 0.00 0.00 177.00 176.57 1dm8 n PRO 121 N -1.77 1.75 -0.27 0.56 -0.02 -1.26 -4.80 135.00 129.18 1dm8 n PRO 121 Ca 0.04 0.64 0.14 0.00 -2.02 0.00 0.00 63.50 62.31 1dm8 n PRO 121 Cb 0.54 -2.42 0.41 0.00 -0.02 0.00 0.00 33.50 32.01 1dm8 n PRO 121 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dm8 h ALA 122 N 8.23 1.91 -0.51 3.55 0.00 -1.93 0.12 119.26 130.63 1dm8 h ALA 122 Ca -0.48 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 1dm8 h ALA 122 Cb 1.29 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1dm8 h ALA 122 CO 0.95 -0.19 -0.05 1.49 0.00 0.00 0.00 179.25 181.45 1dm8 h GLU 123 N 0.62 0.90 0.08 0.00 4.81 -2.00 -0.71 114.58 118.29 1dm8 h GLU 123 Ca 0.47 -0.29 -0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1dm8 h GLU 123 Cb 0.87 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.17 1dm8 h GLU 123 CO -0.22 0.93 -0.04 0.37 -0.73 0.00 0.00 179.01 179.31 1dm8 h GLN 124 N 0.82 -0.10 -0.49 1.92 5.75 -1.21 -3.05 115.11 118.75 1dm8 h GLN 124 Ca 0.15 0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.66 1dm8 h GLN 124 Cb 0.56 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.10 1dm8 h GLN 124 CO 0.03 0.29 0.32 1.25 -2.65 0.00 0.00 178.83 178.07 1dm8 h LEU 125 N -0.52 0.54 -0.52 -2.39 5.85 -1.02 -2.94 115.31 114.30 1dm8 h LEU 125 Ca -0.01 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.76 1dm8 h LEU 125 Cb 0.44 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 1dm8 h LEU 125 CO 0.02 0.39 0.23 -0.07 -0.34 0.00 0.00 178.44 178.66 1dm8 h LEU 126 N 0.64 0.28 -0.88 2.25 -0.00 -1.18 0.14 115.31 116.57 1dm8 h LEU 126 Ca 0.19 0.05 -0.06 0.00 -0.00 0.00 0.00 57.88 58.06 1dm8 h LEU 126 Cb -0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.59 1dm8 h LEU 126 CO -0.06 0.19 0.18 0.77 -0.00 0.00 0.00 178.44 179.53 1dm8 h SER 127 N 0.44 0.94 -0.52 -0.43 4.64 -1.43 0.24 113.55 117.43 1dm8 h SER 127 Ca 0.24 -0.18 -0.12 0.00 -0.47 0.00 0.00 61.79 61.26 1dm8 h SER 127 Cb 0.22 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.04 1dm8 h SER 127 CO -0.21 0.90 -0.16 1.56 -0.87 0.00 0.00 176.83 178.05 1dm8 h GLN 128 N 0.97 1.02 -0.28 4.77 4.20 -1.25 -1.80 115.11 122.74 1dm8 h GLN 128 Ca 0.21 -0.41 -0.06 0.00 0.06 0.00 0.00 58.65 58.45 1dm8 h GLN 128 Cb 0.31 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 1dm8 h GLN 128 CO -0.00 1.09 -0.07 0.00 -0.67 0.00 0.00 178.83 179.18 1dm8 h ALA 129 N 0.90 0.38 -0.72 3.87 0.00 -0.26 -1.83 119.26 121.59 1dm8 h ALA 129 Ca 0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1dm8 h ALA 129 Cb 0.74 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1dm8 h ALA 129 CO 0.06 0.20 0.42 0.00 0.00 0.00 0.00 179.25 179.93 1dm8 h ARG 130 N 0.29 0.98 -0.26 0.00 3.08 -0.50 -0.57 114.38 117.40 1dm8 h ARG 130 Ca 0.07 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1dm8 h ARG 130 Cb 0.55 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1dm8 h ARG 130 CO 0.03 0.70 0.17 0.22 -1.07 0.00 0.00 179.97 180.02 1dm8 h ASP 131 N 0.98 0.31 -0.25 7.04 3.58 -1.24 -0.99 116.42 125.84 1dm8 h ASP 131 Ca 0.26 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.68 1dm8 h ASP 131 Cb -0.02 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 1dm8 h ASP 131 CO -0.05 0.23 0.10 0.15 -2.88 0.00 0.00 179.24 176.80 1dm8 h PHE 132 N 0.35 0.38 -0.93 0.28 3.57 -0.99 -1.16 116.94 118.44 1dm8 h PHE 132 Ca 0.10 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.62 1dm8 h PHE 132 Cb -0.03 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 38.54 1dm8 h PHE 132 CO -0.06 0.39 0.61 0.82 -2.23 0.00 0.00 178.31 177.84 1dm8 h ILE 133 N 0.26 1.12 -0.85 1.41 1.08 -0.95 0.10 117.51 119.67 1dm8 h ILE 133 Ca 0.08 -0.39 -0.01 0.00 -0.39 0.00 0.00 64.86 64.15 1dm8 h ILE 133 Cb 0.17 -0.11 -0.04 0.00 -3.07 0.00 0.00 36.82 33.77 1dm8 h ILE 133 CO -0.01 0.21 0.48 0.78 -0.69 0.00 0.00 178.15 178.92 1dm8 h ASN 134 N 1.13 1.05 -0.60 1.72 2.35 -0.76 -0.20 115.58 120.27 1dm8 h ASN 134 Ca 0.39 -0.08 -0.07 0.00 -0.55 0.00 0.00 56.30 55.98 1dm8 h ASN 134 Cb 0.09 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 1dm8 h ASN 134 CO -0.13 0.83 0.11 1.56 -1.65 0.00 0.00 177.43 178.15 1dm8 h GLN 135 N 1.18 0.99 0.28 0.81 4.20 0.27 -1.75 115.11 121.10 1dm8 h GLN 135 Ca 0.30 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1dm8 h GLN 135 Cb 0.01 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.67 1dm8 h GLN 135 CO -0.05 0.93 -0.14 -0.92 -0.67 0.00 0.00 178.83 177.98 1dm8 h TYR 136 N 0.90 -0.35 0.00 2.96 3.20 0.20 -0.65 116.97 123.23 1dm8 h TYR 136 Ca 0.18 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 1dm8 h TYR 136 Cb 0.41 0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.79 1dm8 h TYR 136 CO 0.03 -0.16 -0.16 1.88 -1.64 0.00 0.00 178.16 178.11 1dm8 h TYR 137 N -0.47 0.00 -0.20 -3.82 -1.99 -1.06 -1.74 116.97 107.69 1dm8 h TYR 137 Ca -0.04 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.64 1dm8 h TYR 137 Cb 0.35 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.08 1dm8 h TYR 137 CO -0.03 0.16 -0.08 0.77 -0.00 0.00 0.00 178.16 178.97 1dm8 h SER 138 N 0.00 0.42 0.00 3.88 0.02 -1.06 0.22 113.55 117.04 1dm8 h SER 138 Ca -0.00 -0.40 -0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1dm8 h SER 138 Cb 0.32 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 1dm8 h SER 138 CO 0.02 0.73 -0.00 0.77 -1.14 0.00 0.00 176.83 177.21 1dm8 h SER 139 N 0.12 0.00 -0.61 3.07 4.64 -0.24 0.21 113.55 120.73 1dm8 h SER 139 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1dm8 h SER 139 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1dm8 h SER 139 CO 0.03 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.29 1dm8 n ILE 140 N -4.36 1.55 -3.68 0.95 -5.35 -0.91 -4.97 119.36 102.59 1dm8 n ILE 140 Ca -0.03 -1.17 -0.24 0.00 -0.27 0.00 0.00 62.75 61.04 1dm8 n ILE 140 Cb 0.09 0.25 0.06 0.00 -1.74 0.00 0.00 39.64 38.29 1dm8 n ILE 140 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1dm8 n LYS 141 N 1.08 -6.70 -0.78 6.28 4.76 0.06 -4.90 118.16 117.95 1dm8 n LYS 141 Ca 0.23 0.74 0.05 0.00 -2.87 0.00 0.00 58.31 56.46 1dm8 n LYS 141 Cb 0.77 -5.69 0.10 0.00 -1.84 0.00 0.00 35.03 28.37 1dm8 n LYS 141 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1dm8 n ARG 142 N -4.70 0.73 -1.80 1.97 5.12 0.69 -5.02 116.66 113.66 1dm8 n ARG 142 Ca -0.06 -2.33 -0.42 0.00 -1.93 0.00 0.00 57.85 53.11 1dm8 n ARG 142 Cb 0.58 -0.87 -0.02 0.00 -1.16 0.00 0.00 32.46 30.99 1dm8 n ARG 142 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1dm8 s SER 143 N -2.36 6.41 0.00 0.55 0.15 -1.17 -1.82 113.70 115.45 1dm8 s SER 143 Ca 0.29 2.90 0.00 0.00 0.70 0.00 0.00 55.95 59.84 1dm8 s SER 143 Cb 0.29 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 1dm8 s SER 143 CO -0.07 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.08 1dm8 n GLY 144 N 2.46 2.36 3.74 9.45 0.00 -1.26 -5.03 105.19 116.91 1dm8 n GLY 144 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1dm8 n GLY 144 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dm8 s SER 145 N -3.44 3.82 0.25 1.61 1.04 -0.76 -4.80 113.70 111.43 1dm8 s SER 145 Ca 0.00 1.53 -0.04 0.00 0.48 0.00 0.00 55.95 57.92 1dm8 s SER 145 Cb 0.00 -2.22 0.35 0.00 0.10 0.00 0.00 66.02 64.24 1dm8 s SER 145 CO 0.00 -2.42 1.88 -0.61 0.98 0.00 0.00 173.24 173.07 1dm8 h GLN 146 N -1.40 1.12 -0.25 4.02 4.15 -1.96 -0.43 115.11 120.36 1dm8 h GLN 146 Ca -0.48 -0.07 -0.06 0.00 0.77 0.00 0.00 58.65 58.82 1dm8 h GLN 146 Cb 1.27 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 28.69 1dm8 h GLN 146 CO 0.55 0.74 -0.09 0.00 -1.93 0.00 0.00 178.83 178.09 1dm8 h ALA 147 N 1.42 1.38 0.03 3.38 0.00 -1.92 0.02 119.26 123.57 1dm8 h ALA 147 Ca 0.40 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1dm8 h ALA 147 Cb 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1dm8 h ALA 147 CO -0.15 0.42 -0.02 1.25 0.00 0.00 0.00 179.25 180.76 1dm8 h HIS 148 N 0.38 -0.04 -0.17 0.00 -0.00 -1.37 -1.43 115.15 112.52 1dm8 h HIS 148 Ca 0.08 -0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.39 1dm8 h HIS 148 Cb 0.40 0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.81 1dm8 h HIS 148 CO 0.01 0.34 -0.14 0.93 -0.00 0.00 0.00 177.93 179.07 1dm8 h GLU 149 N -0.43 0.27 -0.25 5.26 4.39 -1.05 -1.44 114.58 121.33 1dm8 h GLU 149 Ca -0.00 -0.07 -0.15 0.00 0.34 0.00 0.00 59.36 59.48 1dm8 h GLU 149 Cb 0.40 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1dm8 h GLU 149 CO 0.01 0.42 -0.42 0.93 -1.16 0.00 0.00 179.01 178.79 1dm8 h GLU 150 N 0.26 0.73 -0.76 2.33 5.08 -0.94 -1.67 114.58 119.61 1dm8 h GLU 150 Ca 0.05 -0.45 -0.03 0.00 -1.00 0.00 0.00 59.36 57.93 1dm8 h GLU 150 Cb 0.41 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1dm8 h GLU 150 CO 0.02 1.07 0.34 -0.09 -1.00 0.00 0.00 179.01 179.35 1dm8 h ARG 151 N 0.46 1.11 -0.59 2.33 9.65 -0.98 -0.16 114.38 126.19 1dm8 h ARG 151 Ca 0.02 -0.18 -0.00 0.00 -1.10 0.00 0.00 59.98 58.72 1dm8 h ARG 151 Cb 1.02 -0.19 -0.03 0.00 -1.39 0.00 0.00 29.97 29.38 1dm8 h ARG 151 CO 0.10 0.88 0.36 -0.07 2.80 0.00 0.00 179.97 184.04 1dm8 h LEU 152 N 1.08 0.70 -0.79 3.80 3.38 -1.16 -1.15 115.31 121.17 1dm8 h LEU 152 Ca 0.26 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 1dm8 h LEU 152 Cb 0.16 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1dm8 h LEU 152 CO -0.03 0.54 0.41 1.56 0.09 0.00 0.00 178.44 181.01 1dm8 h GLN 153 N 0.79 1.11 -0.49 1.13 4.20 -0.81 -1.83 115.11 119.23 1dm8 h GLN 153 Ca 0.21 -0.14 -0.04 0.00 0.06 0.00 0.00 58.65 58.74 1dm8 h GLN 153 Cb -0.04 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.51 1dm8 h GLN 153 CO -0.04 0.84 0.15 1.49 -0.67 0.00 0.00 178.83 180.60 1dm8 h GLU 154 N 1.10 0.75 -0.28 1.46 4.81 -0.50 -1.08 114.58 120.84 1dm8 h GLU 154 Ca 0.27 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1dm8 h GLU 154 Cb 0.07 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1dm8 h GLU 154 CO -0.04 0.71 0.13 0.28 -0.73 0.00 0.00 179.01 179.35 1dm8 h VAL 155 N 0.65 1.16 -0.53 0.32 2.07 -1.00 -0.83 116.25 118.08 1dm8 h VAL 155 Ca 0.16 -0.46 0.01 0.00 0.82 0.00 0.00 66.70 67.22 1dm8 h VAL 155 Cb 0.27 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1dm8 h VAL 155 CO -0.01 0.16 0.35 -0.33 0.02 0.00 0.00 177.57 177.77 1dm8 h GLU 156 N 0.31 0.69 -0.13 1.57 5.08 -1.21 -0.83 114.58 120.07 1dm8 h GLU 156 Ca 0.09 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1dm8 h GLU 156 Cb 0.14 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1dm8 h GLU 156 CO -0.01 0.46 0.06 0.00 -1.00 0.00 0.00 179.01 178.52 1dm8 h ALA 157 N 1.20 0.17 -0.90 3.43 0.00 -1.04 0.01 119.26 122.14 1dm8 h ALA 157 Ca 0.20 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1dm8 h ALA 157 Cb -0.07 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.61 1dm8 h ALA 157 CO -0.05 -0.27 0.57 1.49 0.00 0.00 0.00 179.25 180.99 1dm8 h GLU 158 N 0.09 1.04 -0.28 0.00 4.81 -0.88 -1.22 114.58 118.14 1dm8 h GLU 158 Ca 0.04 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.08 1dm8 h GLU 158 Cb 0.12 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.26 1dm8 h GLU 158 CO -0.01 0.69 -0.33 0.28 -0.73 0.00 0.00 179.01 178.91 1dm8 h VAL 159 N 1.07 1.30 -0.09 0.32 2.07 -0.92 -0.35 116.25 119.66 1dm8 h VAL 159 Ca 0.38 -1.51 0.03 0.00 0.82 0.00 0.00 66.70 66.41 1dm8 h VAL 159 Cb 0.10 1.62 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1dm8 h VAL 159 CO -0.15 0.48 0.10 0.00 0.02 0.00 0.00 177.57 178.02 1dm8 h ALA 160 N 0.69 1.66 0.00 1.67 0.00 -0.25 0.32 119.26 123.35 1dm8 h ALA 160 Ca 0.04 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.74 1dm8 h ALA 160 Cb 0.91 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1dm8 h ALA 160 CO 0.08 -0.15 -1.77 -1.13 0.00 0.00 0.00 179.25 176.28 1dm8 n SER 161 N -3.82 2.34 -0.00 0.00 3.41 -0.53 -4.72 113.62 110.30 1dm8 n SER 161 Ca -0.01 -0.01 0.04 0.00 -0.26 0.00 0.00 58.87 58.63 1dm8 n SER 161 Cb 0.20 0.62 -0.06 0.00 -0.26 0.00 0.00 64.21 64.72 1dm8 n SER 161 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1dm8 n THR 162 N -2.49 0.00 0.00 6.66 -2.24 -0.15 -5.00 114.28 111.06 1dm8 n THR 162 Ca -0.19 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 1dm8 n THR 162 Cb 0.85 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.92 1dm8 n THR 162 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dm8 n GLY 163 N 1.39 2.27 0.00 3.38 0.00 0.11 -4.97 105.19 107.37 1dm8 n GLY 163 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1dm8 n GLY 163 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1dm8 n THR 164 N -2.00 0.00 -3.93 2.61 5.66 -1.26 -4.89 114.28 110.47 1dm8 n THR 164 Ca 0.00 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.88 1dm8 n THR 164 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1dm8 n THR 164 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1dm8 s TYR 165 N -3.39 0.59 0.08 1.09 -0.85 -1.26 -2.66 117.35 110.95 1dm8 s TYR 165 Ca 0.00 -1.08 0.04 0.00 -0.52 0.00 0.00 57.07 55.51 1dm8 s TYR 165 Cb 0.00 0.44 -0.03 0.00 0.38 0.00 0.00 41.96 42.74 1dm8 s TYR 165 CO 0.00 -1.42 -0.11 -1.01 -1.52 0.00 0.00 175.55 171.49 1dm8 s HIS 166 N -2.45 1.04 0.11 -3.49 3.76 -1.26 -5.05 115.29 107.95 1dm8 s HIS 166 Ca 0.23 -0.57 -0.12 0.00 -0.15 0.00 0.00 55.06 54.45 1dm8 s HIS 166 Cb -0.03 -0.58 -0.06 0.00 1.11 0.00 0.00 32.58 33.02 1dm8 s HIS 166 CO 0.16 0.00 0.46 -0.51 -0.85 0.00 0.00 174.74 174.01 1dm8 s LEU 167 N -2.10 4.34 0.81 0.89 1.43 -1.26 -5.06 118.68 117.73 1dm8 s LEU 167 Ca 0.01 0.91 -0.12 0.00 -1.03 0.00 0.00 54.13 53.90 1dm8 s LEU 167 Cb -0.06 -3.12 0.07 0.00 0.03 0.00 0.00 46.19 43.12 1dm8 s LEU 167 CO 0.01 0.14 1.10 -0.13 0.23 0.00 0.00 176.35 177.70 1dm8 s ARG 168 N -1.96 2.02 0.13 1.70 0.52 -1.26 -4.84 118.95 115.25 1dm8 s ARG 168 Ca 0.35 0.60 -0.25 0.00 -0.52 0.00 0.00 55.73 55.92 1dm8 s ARG 168 Cb -0.14 -1.91 -0.04 0.00 0.52 0.00 0.00 34.95 33.37 1dm8 s ARG 168 CO 0.19 -1.66 1.64 1.49 0.02 0.00 0.00 175.30 176.98 1dm8 h GLU 169 N -1.11 -0.32 0.00 3.54 4.81 -2.00 -2.13 114.58 117.37 1dm8 h GLU 169 Ca -0.47 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 58.76 1dm8 h GLU 169 Cb 1.27 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.72 1dm8 h GLU 169 CO 0.60 -0.21 -0.10 0.66 -0.73 0.00 0.00 179.01 179.22 1dm8 h SER 170 N -0.33 0.00 -0.03 1.04 4.64 -2.00 -2.29 113.55 114.59 1dm8 h SER 170 Ca 0.07 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.16 1dm8 h SER 170 Cb 0.43 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1dm8 h SER 170 CO -0.24 0.10 -0.88 -0.33 -0.87 0.00 0.00 176.83 174.62 1dm8 h GLU 171 N 0.00 0.71 -0.00 4.77 5.08 -1.80 -2.24 114.58 121.09 1dm8 h GLU 171 Ca -0.00 -0.65 -0.00 0.00 -1.00 0.00 0.00 59.36 57.71 1dm8 h GLU 171 Cb 0.34 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1dm8 h GLU 171 CO 0.01 1.25 0.00 1.25 -1.00 0.00 0.00 179.01 180.52 1dm8 h LEU 172 N 0.45 0.00 -0.50 1.33 5.85 -0.87 0.61 115.31 122.19 1dm8 h LEU 172 Ca -0.08 -0.13 0.08 0.00 0.84 0.00 0.00 57.88 58.59 1dm8 h LEU 172 Cb 1.51 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.47 1dm8 h LEU 172 CO 0.17 0.14 0.10 0.58 -0.34 0.00 0.00 178.44 179.09 1dm8 h VAL 173 N -0.13 0.73 -0.51 1.05 2.07 -1.46 0.21 116.25 118.21 1dm8 h VAL 173 Ca 0.00 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1dm8 h VAL 173 Cb 0.13 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 1dm8 h VAL 173 CO -0.00 0.04 0.28 0.15 0.02 0.00 0.00 177.57 178.07 1dm8 h PHE 174 N 0.24 0.70 -0.43 1.57 3.57 -1.13 -2.45 116.94 119.01 1dm8 h PHE 174 Ca 0.25 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.68 1dm8 h PHE 174 Cb 0.33 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 1dm8 h PHE 174 CO -0.22 0.51 0.05 0.78 -2.23 0.00 0.00 178.31 177.20 1dm8 h GLY 175 N 0.68 0.78 0.67 2.40 0.00 0.01 -0.77 103.07 106.83 1dm8 h GLY 175 Ca 0.18 -0.54 0.04 0.00 0.00 0.00 0.00 47.33 47.02 1dm8 h GLY 175 CO -0.03 0.50 0.10 0.00 0.00 0.00 0.00 176.54 177.11 1dm8 h ALA 176 N 0.92 0.38 -0.54 3.60 0.00 -0.50 0.40 119.26 123.52 1dm8 h ALA 176 Ca 0.13 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1dm8 h ALA 176 Cb 0.41 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1dm8 h ALA 176 CO 0.01 -0.30 0.03 0.87 0.00 0.00 0.00 179.25 179.86 1dm8 h LYS 177 N 0.24 0.90 -0.55 0.00 1.57 -1.25 -2.70 116.57 114.78 1dm8 h LYS 177 Ca 0.16 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 1dm8 h LYS 177 Cb 0.15 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1dm8 h LYS 177 CO -0.18 0.88 0.16 1.96 -0.57 0.00 0.00 179.45 181.71 1dm8 h GLN 178 N 0.84 0.85 -0.72 3.15 1.08 -0.60 -0.92 115.11 118.80 1dm8 h GLN 178 Ca 0.16 -0.19 0.10 0.00 -1.45 0.00 0.00 58.65 57.28 1dm8 h GLN 178 Cb 0.46 -0.12 -0.07 0.00 -0.05 0.00 0.00 27.48 27.70 1dm8 h GLN 178 CO 0.02 0.78 0.35 0.00 -0.95 0.00 0.00 178.83 179.03 1dm8 h ALA 179 N 1.03 0.99 -0.03 3.87 0.00 -0.63 0.38 119.26 124.87 1dm8 h ALA 179 Ca 0.18 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1dm8 h ALA 179 Cb 0.29 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1dm8 h ALA 179 CO -0.00 -0.07 0.00 2.35 0.00 0.00 0.00 179.25 181.53 1dm8 h TRP 180 N 0.58 0.06 -0.84 0.00 7.01 -1.28 -2.56 115.95 118.91 1dm8 h TRP 180 Ca 0.36 -0.01 0.19 0.00 2.11 0.00 0.00 58.89 61.54 1dm8 h TRP 180 Cb 0.41 -0.02 -0.06 0.00 -2.10 0.00 0.00 29.16 27.40 1dm8 h TRP 180 CO -0.12 0.31 0.57 -0.09 -2.79 0.00 0.00 178.44 176.32 1dm8 h ARG 181 N -0.21 0.35 -0.01 2.65 2.43 0.21 -0.68 114.38 119.12 1dm8 h ARG 181 Ca 0.01 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1dm8 h ARG 181 Cb 0.28 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1dm8 h ARG 181 CO 0.00 0.23 -0.07 0.09 -1.51 0.00 0.00 179.97 178.71 1dm8 n ASN 182 N -4.48 1.26 -4.57 -3.80 3.02 0.12 -4.87 115.26 101.94 1dm8 n ASN 182 Ca 0.17 -1.27 -0.41 0.00 -0.03 0.00 0.00 54.58 53.04 1dm8 n ASN 182 Cb 0.67 0.03 -0.03 0.00 -0.61 0.00 0.00 39.78 39.84 1dm8 n ASN 182 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1dm8 s ALA 183 N -2.16 2.68 0.54 5.41 0.00 -0.26 -4.70 121.76 123.27 1dm8 s ALA 183 Ca 0.34 -0.61 0.24 0.00 0.00 0.00 0.00 51.96 51.94 1dm8 s ALA 183 Cb 0.21 -4.14 1.43 0.00 0.00 0.00 0.00 23.12 20.61 1dm8 s ALA 183 CO 0.39 -3.12 2.04 -1.35 0.00 0.00 0.00 175.76 173.73 1dm8 h PRO 184 N 11.99 0.00 -0.01 0.00 0.11 -1.89 -2.68 132.00 139.52 1dm8 h PRO 184 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1dm8 h PRO 184 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1dm8 h PRO 184 CO 1.18 0.00 -0.21 0.54 -0.21 0.00 0.00 178.00 179.29 1dm8 n ARG 185 N -4.27 1.10 -3.42 1.05 1.74 -1.26 -1.09 116.66 110.51 1dm8 n ARG 185 Ca 0.06 -0.69 -0.39 0.00 -0.77 0.00 0.00 57.85 56.06 1dm8 n ARG 185 Cb 0.46 -1.49 -0.09 0.00 -1.02 0.00 0.00 32.46 30.32 1dm8 n ARG 185 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1dm8 n VAL 187 N 4.93 0.11 -0.72 0.00 3.14 -1.26 -3.97 118.33 120.55 1dm8 n VAL 187 Ca -0.09 -0.08 0.03 0.00 -2.96 0.00 0.00 64.34 61.24 1dm8 n VAL 187 Cb 0.51 -0.06 0.34 0.00 -1.06 0.00 0.00 33.84 33.58 1dm8 n VAL 187 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1dm8 n GLY 188 N 1.45 2.97 0.00 7.55 0.00 -1.26 -4.44 105.19 111.46 1dm8 n GLY 188 Ca 0.05 -0.84 0.01 0.00 0.00 0.00 0.00 46.02 45.24 1dm8 n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dm8 n ARG 189 N 0.40 0.03 0.00 1.61 1.74 -1.25 -1.78 116.66 117.40 1dm8 n ARG 189 Ca 0.28 0.24 0.07 0.00 -0.77 0.00 0.00 57.85 57.67 1dm8 n ARG 189 Cb 1.15 -1.50 0.32 0.00 -1.02 0.00 0.00 32.46 31.41 1dm8 n ARG 189 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 1dm8 n ILE 190 N -1.25 0.97 0.96 0.55 3.06 -1.26 -1.47 119.36 120.91 1dm8 n ILE 190 Ca 0.01 0.24 0.11 0.00 -2.50 0.00 0.00 62.75 60.61 1dm8 n ILE 190 Cb 0.01 -0.99 0.07 0.00 0.54 0.00 0.00 39.64 39.28 1dm8 n ILE 190 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1dm8 n GLN 191 N -1.51 1.98 -0.32 9.51 1.13 -0.74 -4.66 117.38 122.77 1dm8 n GLN 191 Ca 0.04 -1.66 0.21 0.00 -1.94 0.00 0.00 57.00 53.65 1dm8 n GLN 191 Cb 0.18 -1.44 0.41 0.00 0.11 0.00 0.00 30.24 29.50 1dm8 n GLN 191 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 1dm8 h TRP 192 N 4.00 0.52 0.00 1.08 5.08 -1.44 0.26 115.95 125.45 1dm8 h TRP 192 Ca 0.00 0.05 0.00 0.00 1.08 0.00 0.00 58.89 60.02 1dm8 h TRP 192 Cb 0.90 -0.07 0.00 0.00 -3.00 0.00 0.00 29.16 26.99 1dm8 h TRP 192 CO 0.00 -0.33 0.00 0.41 -1.28 0.00 0.00 178.44 177.24 1dm8 n GLY 193 N -1.35 -1.15 3.15 11.11 0.00 -1.26 -4.30 105.19 111.38 1dm8 n GLY 193 Ca 0.29 0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.99 1dm8 n GLY 193 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1dm8 s LYS 194 N -3.26 2.50 -0.06 1.61 2.20 0.91 -5.03 119.74 118.60 1dm8 s LYS 194 Ca 0.04 -2.18 -0.03 0.00 -0.36 0.00 0.00 55.97 53.44 1dm8 s LYS 194 Cb 0.09 -3.80 0.03 0.00 -1.51 0.00 0.00 37.83 32.64 1dm8 s LYS 194 CO 0.33 -1.16 0.14 -1.17 -0.36 0.00 0.00 175.35 173.13 1dm8 s LEU 195 N 0.58 0.89 -0.40 5.43 2.96 -1.26 -4.69 118.68 122.18 1dm8 s LEU 195 Ca 0.12 0.28 -0.21 0.00 -0.22 0.00 0.00 54.13 54.11 1dm8 s LEU 195 Cb -0.21 0.36 0.01 0.00 0.50 0.00 0.00 46.19 46.85 1dm8 s LEU 195 CO -0.04 -0.13 0.64 -1.58 -1.32 0.00 0.00 176.35 173.93 1dm8 s GLN 196 N 0.95 3.49 -0.48 1.98 2.00 -0.81 -4.98 119.66 121.82 1dm8 s GLN 196 Ca -0.07 -0.15 -0.17 0.00 -2.00 0.00 0.00 55.36 52.97 1dm8 s GLN 196 Cb -0.09 -3.88 0.06 0.00 0.80 0.00 0.00 33.01 29.90 1dm8 s GLN 196 CO -0.05 -0.87 0.50 0.08 -0.50 0.00 0.00 175.29 174.45 1dm8 s VAL 197 N 2.78 5.06 -0.27 1.34 1.01 -1.26 -1.26 120.40 127.79 1dm8 s VAL 197 Ca 0.24 -0.74 -0.22 0.00 0.00 0.00 0.00 61.98 61.25 1dm8 s VAL 197 Cb -0.14 -4.19 -0.01 0.00 0.00 0.00 0.00 36.38 32.04 1dm8 s VAL 197 CO 0.17 -0.66 0.74 -0.36 0.00 0.00 0.00 175.10 174.98 1dm8 s PHE 198 N 2.12 3.25 -0.38 5.22 0.08 0.59 -4.99 117.98 123.87 1dm8 s PHE 198 Ca 0.10 0.87 -0.24 0.00 0.12 0.00 0.00 56.93 57.77 1dm8 s PHE 198 Cb -0.21 -3.04 0.01 0.00 -0.57 0.00 0.00 43.02 39.21 1dm8 s PHE 198 CO 0.10 -0.44 0.86 0.34 -0.10 0.00 0.00 175.22 175.97 1dm8 s ASP 199 N 1.51 6.59 -0.21 1.36 3.68 -1.26 -1.26 116.67 127.07 1dm8 s ASP 199 Ca 0.30 0.38 0.12 0.00 2.13 0.00 0.00 52.55 55.49 1dm8 s ASP 199 Cb -0.15 -2.43 0.44 0.00 -1.45 0.00 0.00 42.92 39.33 1dm8 s ASP 199 CO 0.10 -0.83 1.20 0.00 0.13 0.00 0.00 175.17 175.77 1dm8 n ALA 200 N 6.67 3.86 1.07 3.66 0.00 -0.06 -4.78 120.51 130.93 1dm8 n ALA 200 Ca 0.05 -3.32 0.09 0.00 0.00 0.00 0.00 53.44 50.26 1dm8 n ALA 200 Cb 0.48 -0.41 0.52 0.00 0.00 0.00 0.00 19.45 20.04 1dm8 n ALA 200 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1dm8 n ARG 201 N -0.81 0.52 0.00 0.00 1.74 -1.04 -2.12 116.66 114.94 1dm8 n ARG 201 Ca 0.24 0.01 0.10 0.00 -0.77 0.00 0.00 57.85 57.44 1dm8 n ARG 201 Cb 0.82 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.72 1dm8 n ARG 201 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1dm8 n ASP 202 N -1.03 1.00 -4.69 0.55 5.75 -1.26 -4.49 116.55 112.38 1dm8 n ASP 202 Ca 0.13 -0.91 -0.44 0.00 -0.01 0.00 0.00 54.79 53.55 1dm8 n ASP 202 Cb 0.07 0.82 -0.03 0.00 -1.03 0.00 0.00 41.12 40.95 1dm8 n ASP 202 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1dm8 n SER 204 N 2.33 0.63 -3.47 0.00 3.41 -1.26 -4.77 113.62 110.48 1dm8 n SER 204 Ca 0.11 -2.05 -0.15 0.00 -0.26 0.00 0.00 58.87 56.52 1dm8 n SER 204 Cb 0.33 -0.20 -0.04 0.00 -0.26 0.00 0.00 64.21 64.04 1dm8 n SER 204 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1dm8 s SER 205 N -1.22 -0.61 0.25 4.04 1.04 -1.26 -5.01 113.70 110.93 1dm8 s SER 205 Ca 0.07 0.35 -0.05 0.00 0.48 0.00 0.00 55.95 56.79 1dm8 s SER 205 Cb 0.06 0.57 0.27 0.00 0.10 0.00 0.00 66.02 67.02 1dm8 s SER 205 CO 0.01 -0.79 1.82 0.00 0.98 0.00 0.00 173.24 175.26 1dm8 h ALA 206 N 2.48 1.15 -0.76 5.32 0.00 -1.93 -1.19 119.26 124.33 1dm8 h ALA 206 Ca -0.30 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1dm8 h ALA 206 Cb 1.23 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1dm8 h ALA 206 CO 0.38 0.62 0.38 0.37 0.00 0.00 0.00 179.25 181.00 1dm8 h GLN 207 N 1.05 1.08 -0.03 0.00 5.75 -1.95 -1.74 115.11 119.27 1dm8 h GLN 207 Ca 0.25 -0.14 -0.12 0.00 -0.15 0.00 0.00 58.65 58.48 1dm8 h GLN 207 Cb 0.19 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 1dm8 h GLN 207 CO -0.02 0.82 -0.54 1.49 -2.65 0.00 0.00 178.83 177.93 1dm8 h GLU 208 N 1.08 0.10 -0.84 1.69 4.81 -1.77 -2.49 114.58 117.17 1dm8 h GLU 208 Ca 0.27 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.41 1dm8 h GLU 208 Cb 0.09 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 1dm8 h GLU 208 CO -0.04 0.61 0.42 0.52 -0.73 0.00 0.00 179.01 179.80 1dm8 h MET 209 N 0.08 1.19 -0.41 1.92 2.86 -0.40 -0.90 114.93 119.26 1dm8 h MET 209 Ca -0.00 -0.16 -0.09 0.00 -2.06 0.00 0.00 59.70 57.39 1dm8 h MET 209 Cb 0.98 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 32.40 1dm8 h MET 209 CO 0.08 0.89 -0.10 0.35 1.06 0.00 0.00 176.91 179.19 1dm8 h PHE 210 N 1.18 0.78 -0.04 -0.22 3.04 -0.96 -0.54 116.94 120.18 1dm8 h PHE 210 Ca 0.29 -0.14 -0.01 0.00 3.98 0.00 0.00 57.97 62.10 1dm8 h PHE 210 Cb 0.08 -0.20 -0.00 0.00 2.56 0.00 0.00 35.95 38.39 1dm8 h PHE 210 CO 0.01 0.79 -0.00 1.15 -2.02 0.00 0.00 178.31 178.24 1dm8 h THR 211 N 0.66 1.27 -0.24 4.41 2.02 -0.98 -1.38 112.91 118.67 1dm8 h THR 211 Ca 0.11 -0.82 0.06 0.00 0.77 0.00 0.00 66.41 66.53 1dm8 h THR 211 Cb 0.56 1.75 -0.06 0.00 -1.74 0.00 0.00 68.15 68.65 1dm8 h THR 211 CO 0.03 0.22 -0.17 1.88 0.37 0.00 0.00 175.52 177.86 1dm8 h TYR 212 N -0.25 -0.42 -0.92 3.16 0.99 -1.00 -1.23 116.97 117.29 1dm8 h TYR 212 Ca 0.01 0.03 0.03 0.00 2.00 0.00 0.00 58.73 60.80 1dm8 h TYR 212 Cb 0.36 0.22 -0.05 0.00 1.00 0.00 0.00 36.73 38.26 1dm8 h TYR 212 CO 0.04 -0.24 0.60 0.82 -0.00 0.00 0.00 178.16 179.38 1dm8 h ILE 213 N -0.16 1.18 -0.47 -2.88 2.04 -1.05 -0.37 117.51 115.79 1dm8 h ILE 213 Ca 0.13 -0.41 -0.07 0.00 1.00 0.00 0.00 64.86 65.52 1dm8 h ILE 213 Cb 0.36 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 1dm8 h ILE 213 CO -0.33 0.22 -0.00 0.00 0.00 0.00 0.00 178.15 178.03 1dm8 h ASN 215 N 0.73 0.85 0.02 0.00 2.35 -0.62 -1.39 115.58 117.52 1dm8 h ASN 215 Ca 0.14 -0.35 0.01 0.00 -0.55 0.00 0.00 56.30 55.55 1dm8 h ASN 215 Cb 0.45 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1dm8 h ASN 215 CO 0.02 1.09 -0.07 -0.74 -1.65 0.00 0.00 177.43 176.09 1dm8 h HIS 216 N 0.68 -0.16 -0.55 1.19 2.76 -0.54 -0.43 115.15 118.11 1dm8 h HIS 216 Ca 0.07 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.27 1dm8 h HIS 216 Cb 0.86 0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.86 1dm8 h HIS 216 CO 0.05 -0.10 0.34 0.82 -1.30 0.00 0.00 177.93 177.74 1dm8 h ILE 217 N -0.12 1.09 -0.19 6.26 2.04 -1.08 0.19 117.51 125.70 1dm8 h ILE 217 Ca 0.02 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.66 1dm8 h ILE 217 Cb 0.15 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 1dm8 h ILE 217 CO -0.05 0.12 0.09 0.11 0.00 0.00 0.00 178.15 178.42 1dm8 h LYS 218 N 0.68 0.19 -0.21 2.37 1.57 -0.91 0.63 116.57 120.90 1dm8 h LYS 218 Ca 0.21 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.93 1dm8 h LYS 218 Cb -0.01 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1dm8 h LYS 218 CO -0.08 0.12 -0.08 -0.92 -0.57 0.00 0.00 179.45 177.92 1dm8 h TYR 219 N 0.19 0.49 -0.61 -1.35 5.03 -0.84 -2.47 116.97 117.41 1dm8 h TYR 219 Ca 0.08 -0.12 -0.10 0.00 2.58 0.00 0.00 58.73 61.17 1dm8 h TYR 219 Cb 0.02 -0.11 -0.02 0.00 1.55 0.00 0.00 36.73 38.17 1dm8 h TYR 219 CO -0.10 0.70 -0.01 0.00 -1.32 0.00 0.00 178.16 177.43 1dm8 h ALA 220 N 0.71 0.82 -0.30 1.82 0.00 -0.54 -3.15 119.26 118.64 1dm8 h ALA 220 Ca 0.05 -0.32 -0.17 0.00 0.00 0.00 0.00 54.91 54.46 1dm8 h ALA 220 Cb 0.56 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1dm8 h ALA 220 CO 0.03 0.68 -0.50 1.15 0.00 0.00 0.00 179.25 180.60 1dm8 h THR 221 N 0.98 1.28 -6.69 0.00 2.02 -0.94 -0.58 112.91 108.99 1dm8 h THR 221 Ca 0.17 -1.69 -0.54 0.00 0.77 0.00 0.00 66.41 65.12 1dm8 h THR 221 Cb 0.58 1.59 -0.27 0.00 -1.74 0.00 0.00 68.15 68.30 1dm8 h THR 221 CO 0.03 0.55 -0.80 -3.20 0.37 0.00 0.00 175.52 172.47 1dm8 n ASN 222 N -4.01 -0.55 -2.65 4.18 5.15 -0.93 -0.09 115.26 116.36 1dm8 n ASN 222 Ca -0.04 -1.08 -0.20 0.00 -0.60 0.00 0.00 54.58 52.66 1dm8 n ASN 222 Cb 0.60 -1.37 0.00 0.00 -0.53 0.00 0.00 39.78 38.49 1dm8 n ASN 222 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1dm8 n ARG 223 N -3.78 -2.81 0.00 1.20 1.74 -1.26 -2.44 116.66 109.31 1dm8 n ARG 223 Ca -0.06 0.87 0.00 0.00 -0.77 0.00 0.00 57.85 57.89 1dm8 n ARG 223 Cb 0.48 -5.59 0.00 0.00 -1.02 0.00 0.00 32.46 26.33 1dm8 n ARG 223 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1dm8 n GLY 224 N -1.13 2.29 2.98 -0.13 0.00 0.87 -4.93 105.19 105.14 1dm8 n GLY 224 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 1dm8 n GLY 224 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1dm8 n ASN 225 N 0.00 5.62 -4.60 1.61 5.15 -1.02 -0.59 115.26 121.43 1dm8 n ASN 225 Ca 0.00 -3.21 -0.47 0.00 -0.60 0.00 0.00 54.58 50.30 1dm8 n ASN 225 Cb 0.00 -1.40 -0.03 0.00 -0.53 0.00 0.00 39.78 37.81 1dm8 n ASN 225 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1dm8 n LEU 226 N 2.98 1.95 -4.10 1.20 4.32 -1.25 -4.59 117.00 117.52 1dm8 n LEU 226 Ca 0.34 1.15 -0.29 0.00 -0.02 0.00 0.00 56.01 57.19 1dm8 n LEU 226 Cb 0.36 -1.28 -0.17 0.00 -1.62 0.00 0.00 43.42 40.71 1dm8 n LEU 226 CO 0.75 -1.12 -0.51 -0.13 -1.22 0.00 0.00 177.39 175.17 1dm8 s ARG 227 N -0.56 2.37 0.33 3.23 0.52 -0.22 -4.99 118.95 119.63 1dm8 s ARG 227 Ca 0.70 -0.63 -0.29 0.00 -0.52 0.00 0.00 55.73 54.99 1dm8 s ARG 227 Cb -0.78 -1.92 -0.11 0.00 0.52 0.00 0.00 34.95 32.67 1dm8 s ARG 227 CO 0.53 0.03 1.43 -1.12 0.02 0.00 0.00 175.30 176.18 1dm8 s SER 228 N 0.71 6.55 0.16 0.23 0.01 -1.26 -4.44 113.70 115.66 1dm8 s SER 228 Ca -0.12 2.85 -0.23 0.00 1.31 0.00 0.00 55.95 59.77 1dm8 s SER 228 Cb -0.16 -2.65 0.07 0.00 0.21 0.00 0.00 66.02 63.49 1dm8 s SER 228 CO 0.03 -0.73 0.59 0.00 0.41 0.00 0.00 173.24 173.54 1dm8 s ALA 229 N -0.85 -1.56 -0.05 1.44 0.00 -0.67 -1.92 121.76 118.13 1dm8 s ALA 229 Ca 0.53 0.45 -0.06 0.00 0.00 0.00 0.00 51.96 52.89 1dm8 s ALA 229 Cb -0.43 0.88 0.01 0.00 0.00 0.00 0.00 23.12 23.58 1dm8 s ALA 229 CO 0.55 -0.77 0.16 -1.50 0.00 0.00 0.00 175.76 174.20 1dm8 s ILE 230 N -3.76 0.01 -0.19 0.00 2.07 -0.39 -0.60 121.20 118.35 1dm8 s ILE 230 Ca 0.01 -0.07 -0.01 0.00 -1.41 0.00 0.00 60.65 59.17 1dm8 s ILE 230 Cb -0.01 -0.25 0.00 0.00 0.13 0.00 0.00 42.46 42.34 1dm8 s ILE 230 CO -0.12 -0.04 -0.12 -0.89 -1.91 0.00 0.00 174.94 171.85 1dm8 s THR 231 N -0.06 2.76 -0.37 4.00 2.01 -0.60 -0.30 115.64 123.08 1dm8 s THR 231 Ca -0.01 -0.71 -0.11 0.00 0.31 0.00 0.00 61.69 61.16 1dm8 s THR 231 Cb -0.02 -2.20 0.03 0.00 0.01 0.00 0.00 72.50 70.32 1dm8 s THR 231 CO 0.00 0.49 0.20 -0.69 -0.69 0.00 0.00 174.62 173.93 1dm8 s VAL 232 N 1.22 4.57 0.66 3.82 1.01 -0.39 -3.13 120.40 128.17 1dm8 s VAL 232 Ca 0.02 -0.84 -0.06 0.00 0.00 0.00 0.00 61.98 61.10 1dm8 s VAL 232 Cb -0.14 -3.54 0.04 0.00 0.00 0.00 0.00 36.38 32.74 1dm8 s VAL 232 CO -0.06 -0.22 0.96 -0.36 0.00 0.00 0.00 175.10 175.42 1dm8 s PHE 233 N 1.55 3.02 0.09 5.22 0.08 -0.83 -0.89 117.98 126.23 1dm8 s PHE 233 Ca 0.02 0.47 -0.37 0.00 0.12 0.00 0.00 56.93 57.18 1dm8 s PHE 233 Cb -0.19 -3.02 -0.17 0.00 -0.57 0.00 0.00 43.02 39.08 1dm8 s PHE 233 CO 0.07 -1.18 1.33 -2.30 -0.10 0.00 0.00 175.22 173.03 1dm8 n PRO 234 N -2.77 1.12 -0.53 0.24 -0.02 -1.25 -4.73 135.00 127.06 1dm8 n PRO 234 Ca 0.07 0.40 -0.29 0.00 -2.02 0.00 0.00 63.50 61.66 1dm8 n PRO 234 Cb 0.59 -2.04 0.24 0.00 -0.02 0.00 0.00 33.50 32.27 1dm8 n PRO 234 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1dm8 s GLN 235 N 0.44 -0.52 0.42 -0.52 -2.07 -1.26 -4.63 119.66 111.52 1dm8 s GLN 235 Ca 0.84 1.07 -0.24 0.00 -1.82 0.00 0.00 55.36 55.21 1dm8 s GLN 235 Cb -0.96 -1.58 -0.08 0.00 -1.09 0.00 0.00 33.01 29.30 1dm8 s GLN 235 CO 0.47 -3.52 1.19 1.03 -1.32 0.00 0.00 175.29 173.14 1dm8 s ARG 236 N -4.47 3.92 0.10 9.60 0.52 0.11 -4.90 118.95 123.83 1dm8 s ARG 236 Ca 0.68 1.87 0.05 0.00 -0.52 0.00 0.00 55.73 57.82 1dm8 s ARG 236 Cb -0.25 -2.59 -0.03 0.00 0.52 0.00 0.00 34.95 32.60 1dm8 s ARG 236 CO 0.63 -0.44 -0.13 0.00 0.02 0.00 0.00 175.30 175.38 1dm8 s ALA 237 N -1.43 1.27 -0.30 2.13 0.00 -1.26 -4.78 121.76 117.39 1dm8 s ALA 237 Ca 0.59 -1.15 -0.23 0.00 0.00 0.00 0.00 51.96 51.17 1dm8 s ALA 237 Cb -0.31 -0.05 -0.10 0.00 0.00 0.00 0.00 23.12 22.65 1dm8 s ALA 237 CO 0.39 0.09 1.19 -2.30 0.00 0.00 0.00 175.76 175.13 1dm8 n PRO 238 N 0.82 0.00 -3.59 0.00 -0.02 -1.26 -1.11 135.00 129.83 1dm8 n PRO 238 Ca -0.18 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.05 1dm8 n PRO 238 Cb 0.56 -0.82 -0.03 0.00 -0.02 0.00 0.00 33.50 33.20 1dm8 n PRO 238 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dm8 n GLY 239 N 4.03 -0.46 3.37 -1.23 0.00 -1.26 -4.95 105.19 104.69 1dm8 n GLY 239 Ca 0.30 0.06 -0.23 0.00 0.00 0.00 0.00 46.02 46.16 1dm8 n GLY 239 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1dm8 s ARG 240 N -6.22 1.37 0.63 1.61 3.52 -0.27 -5.07 118.95 114.51 1dm8 s ARG 240 Ca 0.47 -1.49 -0.18 0.00 -0.13 0.00 0.00 55.73 54.39 1dm8 s ARG 240 Cb -0.26 -1.46 -0.02 0.00 -1.56 0.00 0.00 34.95 31.65 1dm8 s ARG 240 CO 0.57 0.29 1.28 0.20 -0.81 0.00 0.00 175.30 176.83 1dm8 s GLY 241 N -2.82 2.83 0.50 8.12 0.00 -1.26 -4.53 107.32 110.15 1dm8 s GLY 241 Ca 0.19 1.17 -0.04 0.00 0.00 0.00 0.00 44.72 46.04 1dm8 s GLY 241 CO 0.08 1.60 0.78 0.99 0.00 0.00 0.00 173.10 176.55 1dm8 s ASP 242 N -1.41 6.02 -0.13 1.64 -0.00 -1.26 -4.42 116.67 117.11 1dm8 s ASP 242 Ca 0.81 0.75 -0.18 0.00 -0.00 0.00 0.00 52.55 53.92 1dm8 s ASP 242 Cb -0.36 -1.99 -0.04 0.00 -0.00 0.00 0.00 42.92 40.53 1dm8 s ASP 242 CO 0.38 -0.71 0.49 -0.36 -0.00 0.00 0.00 175.17 174.98 1dm8 s PHE 243 N -2.75 3.49 -0.01 4.23 0.40 -1.26 -3.59 117.98 118.48 1dm8 s PHE 243 Ca 0.49 0.88 -0.03 0.00 -0.60 0.00 0.00 56.93 57.67 1dm8 s PHE 243 Cb -0.10 -2.58 0.00 0.00 0.51 0.00 0.00 43.02 40.85 1dm8 s PHE 243 CO 0.43 0.12 0.06 1.03 0.70 0.00 0.00 175.22 177.56 1dm8 s ARG 244 N 0.81 0.18 -0.29 0.44 1.81 -0.31 -3.48 118.95 118.12 1dm8 s ARG 244 Ca 0.26 -0.10 -0.06 0.00 -1.72 0.00 0.00 55.73 54.11 1dm8 s ARG 244 Cb -0.15 0.07 0.01 0.00 -0.45 0.00 0.00 34.95 34.44 1dm8 s ARG 244 CO 0.10 -0.03 0.05 0.42 -0.68 0.00 0.00 175.30 175.17 1dm8 s ILE 245 N -0.44 3.76 0.24 1.52 1.01 -1.26 -0.56 121.20 125.47 1dm8 s ILE 245 Ca -0.05 -0.77 -0.04 0.00 0.00 0.00 0.00 60.65 59.80 1dm8 s ILE 245 Cb -0.03 -2.94 0.10 0.00 0.01 0.00 0.00 42.46 39.60 1dm8 s ILE 245 CO 0.00 0.09 1.73 -0.50 0.00 0.00 0.00 174.94 176.26 1dm8 h TRP 246 N 8.19 0.91 -3.99 3.97 4.06 -1.53 -3.43 115.95 124.14 1dm8 h TRP 246 Ca -0.31 -0.14 -0.52 0.00 2.06 0.00 0.00 58.89 59.98 1dm8 h TRP 246 Cb 1.12 -0.25 0.08 0.00 -1.00 0.00 0.00 29.16 29.11 1dm8 h TRP 246 CO 0.61 0.84 0.53 -0.80 -3.56 0.00 0.00 178.44 176.06 1dm8 s ASN 247 N -6.64 6.07 0.40 -3.49 -0.87 -1.26 -4.93 114.94 104.23 1dm8 s ASN 247 Ca -0.10 2.45 0.21 0.00 -1.57 0.00 0.00 52.86 53.85 1dm8 s ASN 247 Cb 0.14 -2.62 0.75 0.00 -0.02 0.00 0.00 41.25 39.51 1dm8 s ASN 247 CO 0.82 -0.99 1.76 0.77 -2.57 0.00 0.00 177.10 176.89 1dm8 h SER 248 N 2.11 0.00 -4.50 -1.22 4.64 -1.90 -3.36 113.55 109.32 1dm8 h SER 248 Ca -0.50 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.67 1dm8 h SER 248 Cb 1.25 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.12 1dm8 h SER 248 CO 0.60 0.31 -0.46 -1.10 -0.87 0.00 0.00 176.83 175.31 1dm8 s GLN 249 N -3.60 0.40 0.52 4.77 -0.21 -1.26 -1.07 119.66 119.22 1dm8 s GLN 249 Ca 0.01 -0.10 0.21 0.00 0.02 0.00 0.00 55.36 55.49 1dm8 s GLN 249 Cb 0.10 0.18 1.33 0.00 1.00 0.00 0.00 33.01 35.62 1dm8 s GLN 249 CO 0.67 -0.09 2.05 -0.07 -2.12 0.00 0.00 175.29 175.73 1dm8 h LEU 250 N 4.86 0.02 -7.86 2.90 3.38 -1.64 -3.36 115.31 113.61 1dm8 h LEU 250 Ca -0.28 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.06 1dm8 h LEU 250 Cb 1.19 -0.00 -0.36 0.00 0.09 0.00 0.00 40.66 41.57 1dm8 h LEU 250 CO 0.39 0.01 -0.82 -0.69 0.09 0.00 0.00 178.44 177.43 1dm8 s VAL 251 N -5.06 1.76 0.00 1.22 1.01 -1.26 -4.94 120.40 113.13 1dm8 s VAL 251 Ca -0.05 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 60.91 1dm8 s VAL 251 Cb 0.19 -1.77 -0.01 0.00 0.00 0.00 0.00 36.38 34.79 1dm8 s VAL 251 CO 0.71 0.25 0.00 -0.13 0.00 0.00 0.00 175.10 175.93 1dm8 s ARG 252 N 1.36 0.12 0.06 2.72 1.81 -1.26 -4.93 118.95 118.83 1dm8 s ARG 252 Ca -0.00 -0.19 -0.13 0.00 -1.72 0.00 0.00 55.73 53.69 1dm8 s ARG 252 Cb -0.16 0.05 -0.06 0.00 -0.45 0.00 0.00 34.95 34.33 1dm8 s ARG 252 CO -0.09 -0.02 0.43 0.71 -0.68 0.00 0.00 175.30 175.65 1dm8 s TYR 253 N -0.50 3.65 0.67 -0.53 2.02 -1.26 -0.45 117.35 120.95 1dm8 s TYR 253 Ca -0.06 0.93 -0.16 0.00 -0.37 0.00 0.00 57.07 57.41 1dm8 s TYR 253 Cb -0.03 -2.25 0.01 0.00 -0.40 0.00 0.00 41.96 39.28 1dm8 s TYR 253 CO -0.00 0.55 1.19 0.00 -1.57 0.00 0.00 175.55 175.72 1dm8 s ALA 254 N -1.28 2.32 -0.28 3.71 0.00 0.30 -4.42 121.76 122.11 1dm8 s ALA 254 Ca 0.30 0.85 -0.01 0.00 0.00 0.00 0.00 51.96 53.10 1dm8 s ALA 254 Cb -0.15 -3.43 0.09 0.00 0.00 0.00 0.00 23.12 19.62 1dm8 s ALA 254 CO 0.16 -1.54 0.06 0.20 0.00 0.00 0.00 175.76 174.64 1dm8 s GLY 255 N -2.02 1.09 -0.26 0.00 0.00 -1.25 -1.56 107.32 103.32 1dm8 s GLY 255 Ca 0.74 -1.48 -0.16 0.00 0.00 0.00 0.00 44.72 43.82 1dm8 s GLY 255 CO 0.41 1.42 0.42 -0.19 0.00 0.00 0.00 173.10 175.16 1dm8 s TYR 256 N 1.58 3.27 -0.10 1.90 1.51 0.46 -4.25 117.35 121.73 1dm8 s TYR 256 Ca 0.05 0.52 -0.30 0.00 -1.01 0.00 0.00 57.07 56.33 1dm8 s TYR 256 Cb -0.18 -2.61 -0.03 0.00 -0.11 0.00 0.00 41.96 39.03 1dm8 s TYR 256 CO -0.18 -0.21 1.32 0.50 -1.11 0.00 0.00 175.55 175.87 1dm8 s ARG 257 N 2.03 4.26 0.56 -0.62 6.06 -1.26 -0.72 118.95 129.25 1dm8 s ARG 257 Ca 0.18 1.78 -0.04 0.00 -2.50 0.00 0.00 55.73 55.15 1dm8 s ARG 257 Cb -0.16 -3.71 0.01 0.00 0.06 0.00 0.00 34.95 31.16 1dm8 s ARG 257 CO 0.09 -0.64 0.84 -0.65 -2.50 0.00 0.00 175.30 172.44 1dm8 s GLN 258 N 3.05 2.90 0.12 5.12 -1.52 0.10 -4.95 119.66 124.48 1dm8 s GLN 258 Ca 0.59 -0.20 -0.28 0.00 -1.95 0.00 0.00 55.36 53.52 1dm8 s GLN 258 Cb -0.25 -2.36 -0.06 0.00 -0.22 0.00 0.00 33.01 30.11 1dm8 s GLN 258 CO 0.20 -0.61 1.61 -0.56 -0.25 0.00 0.00 175.29 175.68 1dm8 h GLN 259 N -0.03 -0.49 0.00 2.91 -0.00 -1.95 -1.12 115.11 114.43 1dm8 h GLN 259 Ca -0.45 0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.23 1dm8 h GLN 259 Cb 1.26 0.11 0.00 0.00 -0.00 0.00 0.00 27.48 28.85 1dm8 h GLN 259 CO 0.59 -0.33 0.00 -0.40 -0.00 0.00 0.00 178.83 178.70 1dm8 n ASP 260 N -5.42 0.00 0.00 0.06 5.68 -1.26 -4.78 116.55 110.83 1dm8 n ASP 260 Ca -0.05 -0.53 0.00 0.00 -0.50 0.00 0.00 54.79 53.71 1dm8 n ASP 260 Cb 0.34 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 1dm8 n ASP 260 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1dm8 n GLY 261 N -0.23 1.01 3.85 6.12 0.00 -0.42 -5.06 105.19 110.46 1dm8 n GLY 261 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1dm8 n GLY 261 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dm8 s SER 262 N -2.92 2.34 -0.05 1.61 1.04 -1.26 -4.71 113.70 109.75 1dm8 s SER 262 Ca 0.00 0.27 0.02 0.00 0.48 0.00 0.00 55.95 56.72 1dm8 s SER 262 Cb 0.00 -0.29 0.02 0.00 0.10 0.00 0.00 66.02 65.85 1dm8 s SER 262 CO 0.00 -3.22 -0.07 -0.69 0.98 0.00 0.00 173.24 170.24 1dm8 s VAL 263 N -3.71 0.75 -0.22 5.02 1.01 -1.26 0.02 120.40 122.01 1dm8 s VAL 263 Ca 0.75 -0.26 -0.09 0.00 0.00 0.00 0.00 61.98 62.38 1dm8 s VAL 263 Cb -0.04 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.56 1dm8 s VAL 263 CO 0.54 0.27 0.12 -0.60 0.00 0.00 0.00 175.10 175.44 1dm8 s ARG 264 N 0.79 4.06 0.00 2.72 3.52 0.10 -4.89 118.95 125.24 1dm8 s ARG 264 Ca -0.13 -0.29 0.00 0.00 -0.13 0.00 0.00 55.73 55.19 1dm8 s ARG 264 Cb -0.15 -3.42 0.00 0.00 -1.56 0.00 0.00 34.95 29.82 1dm8 s ARG 264 CO 0.02 0.16 0.00 0.41 -0.81 0.00 0.00 175.30 175.07 1dm8 n GLY 265 N 3.96 0.74 3.36 8.12 0.00 -1.26 -0.40 105.19 119.70 1dm8 n GLY 265 Ca -0.16 -1.66 -0.40 0.00 0.00 0.00 0.00 46.02 43.81 1dm8 n GLY 265 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dm8 s ASP 266 N -4.00 5.60 0.63 1.61 3.68 -0.60 -4.70 116.67 118.88 1dm8 s ASP 266 Ca 0.00 -0.96 0.33 0.00 2.13 0.00 0.00 52.55 54.05 1dm8 s ASP 266 Cb 0.00 -1.98 1.84 0.00 -1.45 0.00 0.00 42.92 41.33 1dm8 s ASP 266 CO 0.00 -0.34 2.12 -0.65 0.13 0.00 0.00 175.17 176.42 1dm8 h PRO 267 N 8.37 0.00 0.00 4.34 0.11 -1.80 -1.68 132.00 141.35 1dm8 h PRO 267 Ca -0.26 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.82 1dm8 h PRO 267 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1dm8 h PRO 267 CO 0.65 0.00 -0.13 0.00 -0.21 0.00 0.00 178.00 178.30 1dm8 h ALA 268 N 1.70 1.19 -0.45 -0.75 0.00 -1.94 -3.13 119.26 115.88 1dm8 h ALA 268 Ca 0.04 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 1dm8 h ALA 268 Cb 0.43 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.10 1dm8 h ALA 268 CO -0.00 0.17 0.08 0.09 0.00 0.00 0.00 179.25 179.59 1dm8 n ASN 269 N -3.53 3.37 -0.07 0.00 3.02 -0.63 -4.72 115.26 112.71 1dm8 n ASN 269 Ca -0.01 -3.45 -0.09 0.00 -0.03 0.00 0.00 54.58 50.99 1dm8 n ASN 269 Cb 0.28 -0.65 -0.02 0.00 -0.61 0.00 0.00 39.78 38.78 1dm8 n ASN 269 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1dm8 h VAL 270 N 1.47 1.06 0.17 2.41 2.07 -1.68 -1.49 116.25 120.27 1dm8 h VAL 270 Ca 0.21 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 1dm8 h VAL 270 Cb 1.83 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 1dm8 h VAL 270 CO 0.47 0.06 -0.08 -0.08 0.02 0.00 0.00 177.57 177.96 1dm8 h GLU 271 N 0.35 -0.22 0.00 1.57 4.81 -1.88 -1.30 114.58 117.91 1dm8 h GLU 271 Ca 0.09 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1dm8 h GLU 271 Cb -0.04 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 1dm8 h GLU 271 CO -0.02 -0.01 -0.12 0.97 -0.73 0.00 0.00 179.01 179.10 1dm8 h ILE 272 N -0.40 1.05 -0.10 2.32 6.09 -1.90 0.35 117.51 124.93 1dm8 h ILE 272 Ca -0.02 -0.40 -0.02 0.00 -1.37 0.00 0.00 64.86 63.04 1dm8 h ILE 272 Cb 0.31 1.22 -0.00 0.00 0.47 0.00 0.00 36.82 38.82 1dm8 h ILE 272 CO 0.04 0.11 -0.03 0.74 -3.07 0.00 0.00 178.15 175.95 1dm8 h THR 273 N 0.00 1.29 -0.14 2.19 2.02 -1.01 -1.35 112.91 115.92 1dm8 h THR 273 Ca -0.00 -0.96 -0.04 0.00 0.77 0.00 0.00 66.41 66.18 1dm8 h THR 273 Cb 0.21 1.74 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 1dm8 h THR 273 CO 0.02 0.27 -0.11 -0.33 0.37 0.00 0.00 175.52 175.73 1dm8 h GLU 274 N -0.14 0.21 -0.44 6.66 5.08 -0.54 -2.12 114.58 123.29 1dm8 h GLU 274 Ca 0.02 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.19 1dm8 h GLU 274 Cb 0.44 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1dm8 h GLU 274 CO 0.01 0.34 -0.29 -0.07 -1.00 0.00 0.00 179.01 177.99 1dm8 h LEU 275 N 0.20 1.02 -1.20 1.33 3.38 -0.74 -0.90 115.31 118.41 1dm8 h LEU 275 Ca 0.04 -0.42 -0.05 0.00 0.09 0.00 0.00 57.88 57.54 1dm8 h LEU 275 Cb 0.33 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1dm8 h LEU 275 CO 0.02 1.22 0.03 0.00 0.09 0.00 0.00 178.44 179.81 1dm8 h ILE 277 N 0.56 1.08 -0.48 0.00 2.04 -1.17 0.84 117.51 120.38 1dm8 h ILE 277 Ca 0.12 -0.92 0.14 0.00 1.00 0.00 0.00 64.86 65.21 1dm8 h ILE 277 Cb 0.31 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 1dm8 h ILE 277 CO 0.01 0.21 0.41 1.56 0.00 0.00 0.00 178.15 180.34 1dm8 h GLN 278 N -0.60 0.00 -0.65 2.37 4.20 -0.95 0.94 115.11 120.42 1dm8 h GLN 278 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1dm8 h GLN 278 Cb 0.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1dm8 h GLN 278 CO 0.03 0.00 0.00 0.72 -0.67 0.00 0.00 178.83 178.91 1dm8 n HIS 279 N -4.07 1.41 0.00 2.96 8.25 -0.60 -4.92 115.22 118.24 1dm8 n HIS 279 Ca 0.09 -0.52 0.00 0.00 -0.26 0.00 0.00 57.72 57.03 1dm8 n HIS 279 Cb 0.61 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 31.41 1dm8 n HIS 279 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dm8 n GLY 280 N 0.74 0.77 3.74 -1.41 0.00 0.32 -4.83 105.19 104.52 1dm8 n GLY 280 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1dm8 n GLY 280 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1dm8 s TRP 281 N -2.00 3.84 -0.54 1.61 -0.00 0.27 -4.99 118.94 117.13 1dm8 s TRP 281 Ca 0.00 1.81 -0.22 0.00 -0.00 0.00 0.00 56.10 57.70 1dm8 s TRP 281 Cb 0.00 -3.06 0.05 0.00 -0.00 0.00 0.00 33.47 30.46 1dm8 s TRP 281 CO 0.00 0.18 0.80 0.99 -0.00 0.00 0.00 176.95 178.91 1dm8 s THR 282 N -0.45 4.61 0.74 5.86 2.01 -1.26 -4.43 115.64 122.71 1dm8 s THR 282 Ca 0.45 -0.14 -0.15 0.00 0.31 0.00 0.00 61.69 62.16 1dm8 s THR 282 Cb -0.25 -4.44 0.04 0.00 0.01 0.00 0.00 72.50 67.86 1dm8 s THR 282 CO 0.31 -1.00 1.22 -2.16 -0.69 0.00 0.00 174.62 172.31 1dm8 s PRO 283 N 3.33 2.06 0.00 4.92 0.04 -1.26 -5.06 135.00 139.03 1dm8 s PRO 283 Ca 0.23 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1dm8 s PRO 283 Cb -0.16 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1dm8 s PRO 283 CO 0.15 -1.91 0.00 0.41 0.04 0.00 0.00 177.00 175.69 1dm8 n GLY 284 N 0.52 2.81 0.96 0.56 0.00 -1.26 -5.08 105.19 103.70 1dm8 n GLY 284 Ca 0.14 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1dm8 n GLY 284 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1dm8 n ASN 285 N -0.19 0.23 -4.72 1.61 2.04 -1.26 -5.08 115.26 107.88 1dm8 n ASN 285 Ca 0.00 -1.87 -0.23 0.00 -0.44 0.00 0.00 54.58 52.04 1dm8 n ASN 285 Cb 0.00 -0.14 0.10 0.00 -2.53 0.00 0.00 39.78 37.21 1dm8 n ASN 285 CO 0.00 0.00 0.00 -0.83 -0.44 0.00 0.00 177.26 175.99 1dm8 s GLY 286 N -1.25 1.76 0.19 4.83 0.00 -1.26 -5.02 107.32 106.58 1dm8 s GLY 286 Ca 0.13 -1.77 0.23 0.00 0.00 0.00 0.00 44.72 43.31 1dm8 s GLY 286 CO -0.06 -1.22 1.16 3.21 0.00 0.00 0.00 173.10 176.18 1dm8 h ARG 287 N -0.43 0.00 -1.42 2.90 3.08 -1.93 -3.40 114.38 113.18 1dm8 h ARG 287 Ca -0.36 0.00 -0.44 0.00 0.07 0.00 0.00 59.98 59.25 1dm8 h ARG 287 Cb 1.27 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.92 1dm8 h ARG 287 CO 0.41 0.00 -1.08 1.19 -1.07 0.00 0.00 179.97 179.41 1dm8 n PHE 288 N -2.53 1.48 -2.94 3.04 3.01 -1.26 -4.33 117.46 113.93 1dm8 n PHE 288 Ca 0.01 -3.18 -0.41 0.00 1.01 0.00 0.00 57.45 54.88 1dm8 n PHE 288 Cb 0.51 -0.35 -0.04 0.00 -0.01 0.00 0.00 39.48 39.59 1dm8 n PHE 288 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1dm8 s ASP 289 N -3.04 6.87 0.02 4.37 1.01 -1.26 -4.92 116.67 119.71 1dm8 s ASP 289 Ca 0.35 1.07 -0.30 0.00 0.71 0.00 0.00 52.55 54.38 1dm8 s ASP 289 Cb 0.41 -2.43 -0.05 0.00 1.01 0.00 0.00 42.92 41.86 1dm8 s ASP 289 CO -0.04 -0.39 1.31 -0.69 0.21 0.00 0.00 175.17 175.57 1dm8 s VAL 290 N 2.22 3.84 0.63 -1.27 1.01 -1.26 -0.54 120.40 125.03 1dm8 s VAL 290 Ca 0.35 1.26 -0.14 0.00 0.00 0.00 0.00 61.98 63.46 1dm8 s VAL 290 Cb -0.16 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 1dm8 s VAL 290 CO 0.11 0.04 1.05 -0.76 0.00 0.00 0.00 175.10 175.54 1dm8 s LEU 291 N 1.82 3.36 0.55 3.92 1.43 0.40 -4.88 118.68 125.28 1dm8 s LEU 291 Ca 0.61 1.71 -0.04 0.00 -1.03 0.00 0.00 54.13 55.38 1dm8 s LEU 291 Cb -0.30 -4.52 0.01 0.00 0.03 0.00 0.00 46.19 41.41 1dm8 s LEU 291 CO 0.27 -1.23 0.84 -2.16 0.23 0.00 0.00 176.35 174.29 1dm8 s PRO 292 N -4.47 2.95 -0.05 1.29 0.04 -1.26 -4.74 135.00 128.76 1dm8 s PRO 292 Ca 0.61 -0.16 -0.12 0.00 0.04 0.00 0.00 61.00 61.37 1dm8 s PRO 292 Cb -0.15 -2.35 -0.05 0.00 0.04 0.00 0.00 34.50 31.99 1dm8 s PRO 292 CO 0.44 -0.59 0.31 -0.51 0.04 0.00 0.00 177.00 176.69 1dm8 s LEU 293 N -4.87 4.44 -0.53 -3.56 1.43 0.13 -4.88 118.68 110.84 1dm8 s LEU 293 Ca 0.52 0.78 -0.07 0.00 -1.03 0.00 0.00 54.13 54.33 1dm8 s LEU 293 Cb -0.10 -2.40 0.14 0.00 0.03 0.00 0.00 46.19 43.86 1dm8 s LEU 293 CO 0.43 0.35 0.38 -0.76 0.23 0.00 0.00 176.35 176.98 1dm8 s LEU 294 N -1.02 5.61 -0.15 1.79 1.43 -1.26 -0.72 118.68 124.36 1dm8 s LEU 294 Ca 0.20 -2.23 -0.09 0.00 -1.03 0.00 0.00 54.13 50.98 1dm8 s LEU 294 Cb -0.15 -1.96 -0.05 0.00 0.03 0.00 0.00 46.19 44.07 1dm8 s LEU 294 CO 0.10 -0.58 0.16 -0.76 0.23 0.00 0.00 176.35 175.50 1dm8 s LEU 295 N 0.87 4.31 -0.19 1.79 1.43 -0.48 -1.31 118.68 125.10 1dm8 s LEU 295 Ca 0.10 0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.61 1dm8 s LEU 295 Cb -0.23 -2.13 0.04 0.00 0.03 0.00 0.00 46.19 43.91 1dm8 s LEU 295 CO -0.03 0.29 -0.09 -1.58 0.23 0.00 0.00 176.35 175.17 1dm8 s GLN 296 N -0.36 1.86 0.58 1.70 0.74 0.28 -0.49 119.66 123.97 1dm8 s GLN 296 Ca 0.13 -0.73 -0.07 0.00 0.05 0.00 0.00 55.36 54.73 1dm8 s GLN 296 Cb -0.12 -2.28 -0.01 0.00 1.10 0.00 0.00 33.01 31.70 1dm8 s GLN 296 CO 0.02 -0.42 0.92 0.00 -0.55 0.00 0.00 175.29 175.26 1dm8 s ALA 297 N 1.47 3.24 0.03 1.58 0.00 -1.26 -1.16 121.76 125.66 1dm8 s ALA 297 Ca -0.00 -0.48 -0.37 0.00 0.00 0.00 0.00 51.96 51.10 1dm8 s ALA 297 Cb -0.16 -2.74 -0.17 0.00 0.00 0.00 0.00 23.12 20.05 1dm8 s ALA 297 CO -0.08 -0.70 1.37 -2.30 0.00 0.00 0.00 175.76 174.04 1dm8 n PRO 298 N -2.58 1.06 -1.37 0.00 -0.02 -1.24 -2.16 135.00 128.69 1dm8 n PRO 298 Ca 0.04 0.38 -0.14 0.00 -2.02 0.00 0.00 63.50 61.76 1dm8 n PRO 298 Cb 0.56 -2.02 -0.06 0.00 -0.02 0.00 0.00 33.50 31.96 1dm8 n PRO 298 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1dm8 n ASP 299 N 2.78 -4.58 -4.53 2.55 8.00 -1.26 -4.85 116.55 114.66 1dm8 n ASP 299 Ca 0.19 0.35 -0.25 0.00 0.71 0.00 0.00 54.79 55.79 1dm8 n ASP 299 Cb 0.17 -3.86 -0.09 0.00 -0.02 0.00 0.00 41.12 37.32 1dm8 n ASP 299 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1dm8 s GLU 300 N -3.12 1.90 0.64 -1.24 2.02 -0.92 -5.07 118.70 112.92 1dm8 s GLU 300 Ca 0.00 -1.52 -0.13 0.00 0.02 0.00 0.00 54.97 53.33 1dm8 s GLU 300 Cb 0.00 -1.97 -0.01 0.00 0.10 0.00 0.00 34.13 32.24 1dm8 s GLU 300 CO 0.00 0.37 1.06 0.00 0.02 0.00 0.00 175.26 176.71 1dm8 s ALA 301 N -2.14 2.70 0.52 5.21 0.00 -1.26 -4.58 121.76 122.22 1dm8 s ALA 301 Ca 0.28 0.25 -0.20 0.00 0.00 0.00 0.00 51.96 52.28 1dm8 s ALA 301 Cb -0.07 -3.21 -0.06 0.00 0.00 0.00 0.00 23.12 19.79 1dm8 s ALA 301 CO 0.15 -1.02 1.14 -1.25 0.00 0.00 0.00 175.76 174.78 1dm8 s PRO 302 N -4.54 3.45 0.06 0.00 0.04 -1.26 -4.67 135.00 128.09 1dm8 s PRO 302 Ca 0.61 1.65 0.06 0.00 0.04 0.00 0.00 61.00 63.35 1dm8 s PRO 302 Cb -0.15 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 1dm8 s PRO 302 CO 0.46 -0.77 -0.08 -1.21 0.04 0.00 0.00 177.00 175.43 1dm8 s GLU 303 N -3.15 2.31 -0.11 4.56 2.02 0.36 -4.89 118.70 119.81 1dm8 s GLU 303 Ca 0.71 -0.90 -0.16 0.00 0.02 0.00 0.00 54.97 54.64 1dm8 s GLU 303 Cb -0.25 -2.39 -0.05 0.00 0.10 0.00 0.00 34.13 31.55 1dm8 s GLU 303 CO 0.29 0.55 0.39 -1.17 0.02 0.00 0.00 175.26 175.34 1dm8 s LEU 304 N -1.89 4.31 -0.05 1.80 2.96 -1.26 -1.38 118.68 123.17 1dm8 s LEU 304 Ca 0.20 0.74 0.01 0.00 -0.22 0.00 0.00 54.13 54.86 1dm8 s LEU 304 Cb -0.11 -2.55 0.02 0.00 0.50 0.00 0.00 46.19 44.05 1dm8 s LEU 304 CO 0.11 0.11 -0.06 -0.36 -1.32 0.00 0.00 176.35 174.84 1dm8 s PHE 305 N 0.17 0.86 -0.14 5.38 0.40 0.10 -4.96 117.98 119.79 1dm8 s PHE 305 Ca 0.22 -0.26 -0.15 0.00 -0.60 0.00 0.00 56.93 56.15 1dm8 s PHE 305 Cb -0.15 -0.72 -0.05 0.00 0.51 0.00 0.00 43.02 42.61 1dm8 s PHE 305 CO 0.09 -0.20 0.33 0.08 0.70 0.00 0.00 175.22 176.22 1dm8 s VAL 306 N 0.83 5.27 0.11 -0.44 1.01 -1.26 0.20 120.40 126.12 1dm8 s VAL 306 Ca -0.12 0.64 -0.30 0.00 0.00 0.00 0.00 61.98 62.20 1dm8 s VAL 306 Cb -0.15 -3.67 -0.06 0.00 0.00 0.00 0.00 36.38 32.51 1dm8 s VAL 306 CO 0.01 0.40 0.97 -0.76 0.00 0.00 0.00 175.10 175.72 1dm8 s LEU 307 N 0.36 4.49 0.08 3.92 1.43 -1.26 -4.98 118.68 122.72 1dm8 s LEU 307 Ca 0.19 1.80 -0.31 0.00 -1.03 0.00 0.00 54.13 54.79 1dm8 s LEU 307 Cb -0.14 -3.59 -0.09 0.00 0.03 0.00 0.00 46.19 42.40 1dm8 s LEU 307 CO 0.06 -0.09 1.84 -2.84 0.23 0.00 0.00 176.35 175.55 1dm8 s PRO 308 N 0.06 4.15 0.33 1.29 0.02 -1.26 -4.86 135.00 134.73 1dm8 s PRO 308 Ca 0.48 2.54 0.12 0.00 0.02 0.00 0.00 61.00 64.16 1dm8 s PRO 308 Cb -0.24 -3.79 1.04 0.00 0.02 0.00 0.00 34.50 31.53 1dm8 s PRO 308 CO 0.30 -0.86 1.63 -1.35 -0.33 0.00 0.00 177.00 176.38 1dm8 h PRO 309 N 9.24 0.18 0.00 5.54 0.11 -1.94 0.24 132.00 145.37 1dm8 h PRO 309 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1dm8 h PRO 309 Cb 1.22 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1dm8 h PRO 309 CO 0.94 0.12 0.00 1.05 -0.21 0.00 0.00 178.00 179.90 1dm8 h GLU 310 N 0.18 0.00 0.00 1.05 9.09 -2.04 -2.19 114.58 120.67 1dm8 h GLU 310 Ca 0.71 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.12 1dm8 h GLU 310 Cb 1.66 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.76 1dm8 h GLU 310 CO -0.69 0.00 -1.03 1.28 0.05 0.00 0.00 179.01 178.61 1dm8 n LEU 311 N -2.79 0.62 -4.30 3.06 4.77 0.85 -4.72 117.00 114.49 1dm8 n LEU 311 Ca -0.02 0.07 -0.46 0.00 -0.03 0.00 0.00 56.01 55.57 1dm8 n LEU 311 Cb 0.06 -0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 41.01 1dm8 n LEU 311 CO 0.16 -0.01 0.23 -0.69 -1.33 0.00 0.00 177.39 175.75 1dm8 s VAL 312 N -3.24 5.23 -0.02 4.08 1.01 -0.83 -4.83 120.40 121.80 1dm8 s VAL 312 Ca 0.03 -1.92 -0.30 0.00 0.00 0.00 0.00 61.98 59.78 1dm8 s VAL 312 Cb 0.13 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1dm8 s VAL 312 CO 0.80 -0.92 1.24 -0.22 0.00 0.00 0.00 175.10 176.00 1dm8 s LEU 313 N 1.00 4.30 0.29 3.92 2.96 -1.26 -4.99 118.68 124.90 1dm8 s LEU 313 Ca 0.09 1.91 0.10 0.00 -0.22 0.00 0.00 54.13 56.01 1dm8 s LEU 313 Cb -0.22 -3.56 -0.06 0.00 0.50 0.00 0.00 46.19 42.85 1dm8 s LEU 313 CO -0.02 -0.59 -0.14 -1.61 -1.32 0.00 0.00 176.35 172.67 1dm8 s GLU 314 N 2.06 1.66 -0.18 1.98 2.02 -1.26 -0.77 118.70 124.20 1dm8 s GLU 314 Ca 0.58 -1.80 0.00 0.00 0.02 0.00 0.00 54.97 53.77 1dm8 s GLU 314 Cb -0.27 -1.58 0.04 0.00 0.10 0.00 0.00 34.13 32.42 1dm8 s GLU 314 CO 0.24 0.21 -0.08 0.08 0.02 0.00 0.00 175.26 175.73 1dm8 s VAL 315 N -2.67 1.42 0.36 2.63 1.01 0.36 -4.89 120.40 118.63 1dm8 s VAL 315 Ca 0.30 -0.83 -0.27 0.00 0.00 0.00 0.00 61.98 61.18 1dm8 s VAL 315 Cb -0.01 -1.53 -0.09 0.00 0.00 0.00 0.00 36.38 34.75 1dm8 s VAL 315 CO 0.14 0.17 1.15 -2.84 0.00 0.00 0.00 175.10 173.72 1dm8 s PRO 316 N 1.50 4.25 -0.12 2.72 0.02 -1.26 -2.33 135.00 139.77 1dm8 s PRO 316 Ca -0.00 1.84 -0.13 0.00 0.02 0.00 0.00 61.00 62.73 1dm8 s PRO 316 Cb -0.16 -2.83 -0.05 0.00 0.02 0.00 0.00 34.50 31.48 1dm8 s PRO 316 CO -0.08 -0.15 0.30 -0.51 -0.33 0.00 0.00 177.00 176.23 1dm8 s LEU 317 N -2.17 4.31 0.05 -5.54 1.43 -0.03 -4.85 118.68 111.89 1dm8 s LEU 317 Ca 0.53 0.60 -0.03 0.00 -1.03 0.00 0.00 54.13 54.20 1dm8 s LEU 317 Cb -0.31 -2.38 -0.03 0.00 0.03 0.00 0.00 46.19 43.50 1dm8 s LEU 317 CO 0.40 0.19 0.04 -1.83 0.23 0.00 0.00 176.35 175.37 1dm8 s GLU 318 N -0.07 0.63 -0.05 1.70 -1.05 -1.26 -4.14 118.70 114.46 1dm8 s GLU 318 Ca 0.18 -1.04 -0.03 0.00 -0.15 0.00 0.00 54.97 53.93 1dm8 s GLU 318 Cb -0.14 0.23 -0.04 0.00 -0.44 0.00 0.00 34.13 33.75 1dm8 s GLU 318 CO 0.06 -0.14 0.10 -1.58 0.95 0.00 0.00 175.26 174.64 1dm8 s HIS 319 N -3.49 3.39 0.50 4.83 5.65 -1.26 -4.32 115.29 120.59 1dm8 s HIS 319 Ca 0.03 0.32 0.17 0.00 0.25 0.00 0.00 55.06 55.83 1dm8 s HIS 319 Cb 0.04 -1.82 1.22 0.00 -1.18 0.00 0.00 32.58 30.84 1dm8 s HIS 319 CO -0.09 0.60 2.08 -1.00 -0.65 0.00 0.00 174.74 175.68 1dm8 h PRO 320 N 4.51 0.12 0.00 2.88 0.13 -1.91 -3.36 132.00 134.36 1dm8 h PRO 320 Ca -0.51 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1dm8 h PRO 320 Cb 1.20 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1dm8 h PRO 320 CO 0.61 0.08 -0.61 0.25 -0.23 0.00 0.00 178.00 178.09 1dm8 n THR 321 N -4.48 0.00 -2.60 1.56 -2.24 -1.26 -4.94 114.28 100.32 1dm8 n THR 321 Ca 0.03 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.40 1dm8 n THR 321 Cb 0.26 -0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 67.87 1dm8 n THR 321 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1dm8 s LEU 322 N -2.97 3.40 0.53 3.22 1.43 -1.26 -4.88 118.68 118.15 1dm8 s LEU 322 Ca 0.00 -0.65 0.21 0.00 -1.03 0.00 0.00 54.13 52.67 1dm8 s LEU 322 Cb 0.00 -2.54 1.43 0.00 0.03 0.00 0.00 46.19 45.11 1dm8 s LEU 322 CO 0.00 -1.74 2.15 -0.33 0.23 0.00 0.00 176.35 176.66 1dm8 h GLU 323 N 9.92 0.00 0.00 1.70 5.08 -1.92 -2.96 114.58 126.40 1dm8 h GLU 323 Ca -0.23 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.10 1dm8 h GLU 323 Cb 1.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 1dm8 h GLU 323 CO 1.28 0.04 -0.16 0.11 -1.00 0.00 0.00 179.01 179.27 1dm8 h TRP 324 N 0.00 0.00 -0.74 4.33 5.08 -1.95 -3.33 115.95 119.35 1dm8 h TRP 324 Ca -0.00 0.00 0.14 0.00 1.08 0.00 0.00 58.89 60.11 1dm8 h TRP 324 Cb 0.08 0.00 -0.09 0.00 -3.00 0.00 0.00 29.16 26.15 1dm8 h TRP 324 CO 0.00 0.16 0.29 0.35 -1.28 0.00 0.00 178.44 177.97 1dm8 h PHE 325 N 0.00 0.50 -0.49 0.12 3.57 -1.90 0.43 116.94 119.18 1dm8 h PHE 325 Ca -0.00 0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.63 1dm8 h PHE 325 Cb 0.84 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.45 1dm8 h PHE 325 CO 0.00 0.07 0.33 0.00 -2.23 0.00 0.00 178.31 176.48 1dm8 h ALA 326 N 1.53 2.16 0.00 2.41 0.00 -1.72 0.29 119.26 123.94 1dm8 h ALA 326 Ca 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1dm8 h ALA 326 Cb 0.60 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1dm8 h ALA 326 CO -0.39 -0.28 0.00 0.00 0.00 0.00 0.00 179.25 178.58 1dm8 n ALA 327 N -2.56 1.54 0.29 0.00 0.00 0.14 -1.91 120.51 118.02 1dm8 n ALA 327 Ca 0.08 -0.04 0.16 0.00 0.00 0.00 0.00 53.44 53.64 1dm8 n ALA 327 Cb 0.40 -1.20 0.57 0.00 0.00 0.00 0.00 19.45 19.23 1dm8 n ALA 327 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1dm8 h LEU 328 N 0.00 0.00 1.82 0.00 4.07 -0.97 -3.47 115.31 116.76 1dm8 h LEU 328 Ca 0.00 0.00 -0.28 0.00 0.08 0.00 0.00 57.88 57.68 1dm8 h LEU 328 Cb 0.21 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.92 1dm8 h LEU 328 CO 0.00 0.00 -0.35 0.61 -1.08 0.00 0.00 178.44 177.62 1dm8 n GLY 329 N 0.24 0.03 3.88 0.83 0.00 -0.80 -5.01 105.19 104.36 1dm8 n GLY 329 Ca 0.01 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 1dm8 n GLY 329 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dm8 s LEU 330 N -3.93 3.79 0.16 0.99 1.43 -1.26 -4.98 118.68 114.87 1dm8 s LEU 330 Ca 0.00 1.09 -0.25 0.00 -1.03 0.00 0.00 54.13 53.94 1dm8 s LEU 330 Cb 0.00 -3.98 0.06 0.00 0.03 0.00 0.00 46.19 42.30 1dm8 s LEU 330 CO 0.00 -0.43 0.97 0.00 0.23 0.00 0.00 176.35 177.11 1dm8 s ARG 331 N -4.02 1.21 0.05 1.70 1.70 -1.26 -0.85 118.95 117.48 1dm8 s ARG 331 Ca 0.50 -0.68 -0.20 0.00 -0.47 0.00 0.00 55.73 54.88 1dm8 s ARG 331 Cb -0.10 0.41 0.04 0.00 -0.57 0.00 0.00 34.95 34.73 1dm8 s ARG 331 CO 0.34 -0.55 0.47 -0.46 -1.08 0.00 0.00 175.30 174.02 1dm8 s TRP 332 N -3.21 -0.35 0.56 5.89 -0.11 -0.98 -4.94 118.94 115.80 1dm8 s TRP 332 Ca 0.13 0.34 -0.14 0.00 1.22 0.00 0.00 56.10 57.65 1dm8 s TRP 332 Cb -0.01 0.29 -0.06 0.00 -1.50 0.00 0.00 33.47 32.18 1dm8 s TRP 332 CO 0.03 -0.62 1.00 1.52 -4.62 0.00 0.00 176.95 174.26 1dm8 s TYR 333 N -2.52 3.53 0.08 5.86 -0.85 -1.26 -0.49 117.35 121.70 1dm8 s TYR 333 Ca -0.05 1.38 0.04 0.00 -0.52 0.00 0.00 57.07 57.92 1dm8 s TYR 333 Cb -0.01 -2.75 -0.24 0.00 0.38 0.00 0.00 41.96 39.35 1dm8 s TYR 333 CO -0.02 -0.51 1.14 0.00 -1.52 0.00 0.00 175.55 174.64 1dm8 h ALA 334 N 0.37 0.33 -2.65 9.51 0.00 -1.29 -3.46 119.26 122.07 1dm8 h ALA 334 Ca -0.46 -0.99 -0.71 0.00 0.00 0.00 0.00 54.91 52.76 1dm8 h ALA 334 Cb 1.19 -0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.75 1dm8 h ALA 334 CO 0.62 1.22 -0.47 -1.17 0.00 0.00 0.00 179.25 179.44 1dm8 s LEU 335 N -6.77 4.88 -0.61 0.00 2.96 -1.26 -4.58 118.68 113.29 1dm8 s LEU 335 Ca -0.02 -0.89 -0.23 0.00 -0.22 0.00 0.00 54.13 52.78 1dm8 s LEU 335 Cb 0.09 -2.10 0.06 0.00 0.50 0.00 0.00 46.19 44.74 1dm8 s LEU 335 CO 0.84 -0.40 0.94 -2.16 -1.32 0.00 0.00 176.35 174.25 1dm8 s PRO 336 N 1.63 3.19 -0.31 0.98 0.04 -1.26 -4.69 135.00 134.58 1dm8 s PRO 336 Ca 0.04 -0.63 0.03 0.00 0.04 0.00 0.00 61.00 60.48 1dm8 s PRO 336 Cb -0.19 -4.16 0.09 0.00 0.04 0.00 0.00 34.50 30.28 1dm8 s PRO 336 CO 0.09 -1.67 0.01 0.00 0.04 0.00 0.00 177.00 175.47 1dm8 s ALA 337 N 3.95 2.54 0.11 8.56 0.00 -1.26 -3.30 121.76 132.37 1dm8 s ALA 337 Ca 0.25 -2.12 -0.31 0.00 0.00 0.00 0.00 51.96 49.78 1dm8 s ALA 337 Cb -0.15 -1.78 -0.07 0.00 0.00 0.00 0.00 23.12 21.11 1dm8 s ALA 337 CO 0.13 -1.52 1.31 0.08 0.00 0.00 0.00 175.76 175.76 1dm8 s VAL 338 N 1.09 3.55 0.00 0.00 1.01 -0.30 -1.72 120.40 124.04 1dm8 s VAL 338 Ca 0.05 1.14 0.00 0.00 0.00 0.00 0.00 61.98 63.17 1dm8 s VAL 338 Cb -0.19 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.46 1dm8 s VAL 338 CO -0.09 0.10 0.67 -1.54 0.00 0.00 0.00 175.10 174.24 1dm8 n SER 339 N 3.73 1.05 -0.28 3.32 3.41 -0.24 -1.57 113.62 123.05 1dm8 n SER 339 Ca 0.10 -1.44 0.03 0.00 -0.26 0.00 0.00 58.87 57.30 1dm8 n SER 339 Cb 0.44 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.47 1dm8 n SER 339 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1dm8 n ASN 340 N -0.22 2.47 -4.89 4.04 2.04 -1.23 -4.49 115.26 112.96 1dm8 n ASN 340 Ca 0.00 -2.17 -0.32 0.00 -0.44 0.00 0.00 54.58 51.65 1dm8 n ASN 340 Cb 0.28 -0.15 -0.05 0.00 -2.53 0.00 0.00 39.78 37.33 1dm8 n ASN 340 CO 0.00 0.00 0.00 -0.04 -0.44 0.00 0.00 177.26 176.78 1dm8 s MET 341 N -1.29 3.61 -0.17 -3.83 -1.94 -1.26 -4.35 119.30 110.06 1dm8 s MET 341 Ca 0.14 -0.10 -0.17 0.00 -1.71 0.00 0.00 55.69 53.85 1dm8 s MET 341 Cb 0.09 -2.92 -0.04 0.00 2.01 0.00 0.00 34.83 33.97 1dm8 s MET 341 CO 0.06 0.52 0.45 -1.17 -0.01 0.00 0.00 175.02 174.88 1dm8 s LEU 342 N -2.41 4.19 -0.38 -0.03 0.20 0.19 -4.38 118.68 116.06 1dm8 s LEU 342 Ca 0.37 0.65 -0.17 0.00 0.69 0.00 0.00 54.13 55.68 1dm8 s LEU 342 Cb -0.13 -2.62 0.00 0.00 -0.43 0.00 0.00 46.19 43.02 1dm8 s LEU 342 CO 0.23 -0.07 0.42 -0.22 -0.29 0.00 0.00 176.35 176.41 1dm8 s LEU 343 N 1.15 4.62 -0.20 -0.68 2.96 -0.89 -0.44 118.68 125.21 1dm8 s LEU 343 Ca 0.22 -0.41 -0.06 0.00 -0.22 0.00 0.00 54.13 53.66 1dm8 s LEU 343 Cb -0.15 -2.40 -0.03 0.00 0.50 0.00 0.00 46.19 44.11 1dm8 s LEU 343 CO 0.09 -0.47 0.03 -0.70 -1.32 0.00 0.00 176.35 173.98 1dm8 s GLU 344 N 2.13 3.75 -0.07 1.98 -6.30 -0.17 -0.81 118.70 119.22 1dm8 s GLU 344 Ca 0.13 -0.45 -0.01 0.00 -2.50 0.00 0.00 54.97 52.13 1dm8 s GLU 344 Cb -0.17 -3.15 0.03 0.00 0.00 0.00 0.00 34.13 30.84 1dm8 s GLU 344 CO 0.13 0.09 0.01 0.42 0.02 0.00 0.00 175.26 175.93 1dm8 s ILE 345 N 0.82 0.31 -1.27 -3.70 1.01 -0.63 -1.58 121.20 116.16 1dm8 s ILE 345 Ca 0.02 0.15 -0.03 0.00 0.00 0.00 0.00 60.65 60.79 1dm8 s ILE 345 Cb -0.14 -0.49 0.02 0.00 0.01 0.00 0.00 42.46 41.86 1dm8 s ILE 345 CO 0.02 0.24 0.23 0.61 0.00 0.00 0.00 174.94 176.04 1dm8 n GLY 346 N 5.17 -0.50 1.04 6.18 0.00 -1.26 -0.66 105.19 115.16 1dm8 n GLY 346 Ca -0.06 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1dm8 n GLY 346 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dm8 n GLY 347 N -1.04 2.99 3.77 -0.02 0.00 -1.26 -2.90 105.19 106.73 1dm8 n GLY 347 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 1dm8 n GLY 347 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dm8 s LEU 348 N 0.00 4.08 -0.18 0.99 1.43 0.17 -5.03 118.68 120.13 1dm8 s LEU 348 Ca 0.00 2.33 0.01 0.00 -1.03 0.00 0.00 54.13 55.44 1dm8 s LEU 348 Cb 0.00 -4.16 0.04 0.00 0.03 0.00 0.00 46.19 42.10 1dm8 s LEU 348 CO 0.00 -0.84 -0.12 -1.61 0.23 0.00 0.00 176.35 174.02 1dm8 s GLU 349 N -2.55 2.15 -0.79 1.70 2.02 -1.26 -1.61 118.70 118.36 1dm8 s GLU 349 Ca 0.61 -0.77 -0.13 0.00 0.02 0.00 0.00 54.97 54.70 1dm8 s GLU 349 Cb -0.30 -2.34 0.21 0.00 0.10 0.00 0.00 34.13 31.80 1dm8 s GLU 349 CO 0.37 -0.37 0.72 -0.06 0.02 0.00 0.00 175.26 175.94 1dm8 s PHE 350 N 1.41 3.70 0.50 1.61 0.08 0.01 0.06 117.98 125.36 1dm8 s PHE 350 Ca 0.01 -2.04 0.41 0.00 0.12 0.00 0.00 56.93 55.42 1dm8 s PHE 350 Cb -0.15 -3.75 2.19 0.00 -0.57 0.00 0.00 43.02 40.74 1dm8 s PHE 350 CO -0.09 -0.97 2.24 0.66 -0.10 0.00 0.00 175.22 176.96 1dm8 h SER 351 N 7.75 0.00 -3.15 1.36 4.64 -1.82 -2.36 113.55 119.96 1dm8 h SER 351 Ca 0.07 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.83 1dm8 h SER 351 Cb 1.03 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.72 1dm8 h SER 351 CO 0.76 0.00 -0.76 0.00 -0.87 0.00 0.00 176.83 175.96 1dm8 s ALA 352 N -4.03 1.32 -0.44 5.18 0.00 -1.23 -4.69 121.76 117.87 1dm8 s ALA 352 Ca -0.04 -1.37 0.07 0.00 0.00 0.00 0.00 51.96 50.62 1dm8 s ALA 352 Cb 0.12 -1.49 0.27 0.00 0.00 0.00 0.00 23.12 22.02 1dm8 s ALA 352 CO 0.38 -1.54 0.81 0.00 0.00 0.00 0.00 175.76 175.41 1dm8 n ALA 353 N 4.94 0.19 -1.70 0.00 0.00 -1.26 -1.96 120.51 120.72 1dm8 n ALA 353 Ca -0.04 -2.22 -0.43 0.00 0.00 0.00 0.00 53.44 50.75 1dm8 n ALA 353 Cb 0.43 -1.11 -0.02 0.00 0.00 0.00 0.00 19.45 18.76 1dm8 n ALA 353 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1dm8 n PRO 354 N 1.18 2.21 -4.16 0.00 -0.04 -1.18 -4.68 135.00 128.33 1dm8 n PRO 354 Ca 0.14 0.78 -0.18 0.00 -0.04 0.00 0.00 63.50 64.20 1dm8 n PRO 354 Cb 0.62 -2.44 -0.12 0.00 -0.04 0.00 0.00 33.50 31.52 1dm8 n PRO 354 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1dm8 s PHE 355 N -0.44 1.13 0.06 0.54 -0.12 -0.61 -1.55 117.98 116.99 1dm8 s PHE 355 Ca 0.62 -0.46 -0.07 0.00 -0.05 0.00 0.00 56.93 56.98 1dm8 s PHE 355 Cb -0.59 -0.64 -0.01 0.00 -0.63 0.00 0.00 43.02 41.15 1dm8 s PHE 355 CO 0.54 0.03 0.13 -1.54 -0.05 0.00 0.00 175.22 174.33 1dm8 s SER 356 N -1.68 0.20 0.00 1.98 1.04 0.24 -1.14 113.70 114.33 1dm8 s SER 356 Ca -0.03 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.73 1dm8 s SER 356 Cb -0.10 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.30 1dm8 s SER 356 CO 0.02 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.21 1dm8 n GLY 357 N 0.23 3.81 3.16 7.32 0.00 -1.21 -1.68 105.19 116.83 1dm8 n GLY 357 Ca -0.16 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 1dm8 n GLY 357 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1dm8 s TRP 358 N 2.75 0.58 0.52 1.61 -2.14 -1.26 -4.59 118.94 116.42 1dm8 s TRP 358 Ca 0.00 -1.02 -0.17 0.00 2.66 0.00 0.00 56.10 57.58 1dm8 s TRP 358 Cb 0.00 -0.33 -0.07 0.00 -3.10 0.00 0.00 33.47 29.97 1dm8 s TRP 358 CO 0.00 -0.50 0.99 0.71 -2.66 0.00 0.00 176.95 175.49 1dm8 s TYR 359 N -3.97 3.40 -0.19 1.66 2.02 -1.26 -4.92 117.35 114.09 1dm8 s TYR 359 Ca 0.15 1.47 -0.05 0.00 -0.37 0.00 0.00 57.07 58.27 1dm8 s TYR 359 Cb 0.07 -2.82 -0.03 0.00 -0.40 0.00 0.00 41.96 38.78 1dm8 s TYR 359 CO -0.04 -0.45 -0.01 1.41 -1.57 0.00 0.00 175.55 174.89 1dm8 s MET 360 N -4.05 3.66 0.43 -0.62 -2.45 -1.26 -2.26 119.30 112.74 1dm8 s MET 360 Ca 0.60 -0.51 0.29 0.00 -1.25 0.00 0.00 55.69 54.82 1dm8 s MET 360 Cb -0.11 -3.04 1.45 0.00 1.25 0.00 0.00 34.83 34.38 1dm8 s MET 360 CO 0.32 0.09 1.59 0.66 1.05 0.00 0.00 175.02 178.73 1dm8 h SER 361 N 7.22 0.24 0.23 1.11 4.64 -1.30 -0.75 113.55 124.94 1dm8 h SER 361 Ca -0.35 0.17 -0.04 0.00 -0.47 0.00 0.00 61.79 61.10 1dm8 h SER 361 Cb 1.18 0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.44 1dm8 h SER 361 CO 0.62 -0.28 -0.21 0.71 -0.87 0.00 0.00 176.83 176.80 1dm8 h THR 362 N 0.03 1.11 -0.50 2.95 1.35 -1.95 0.18 112.91 116.08 1dm8 h THR 362 Ca 0.86 -0.74 0.07 0.00 -0.55 0.00 0.00 66.41 66.06 1dm8 h THR 362 Cb 2.65 1.40 -0.06 0.00 -1.73 0.00 0.00 68.15 70.42 1dm8 h THR 362 CO -0.52 0.21 0.16 -0.33 -0.25 0.00 0.00 175.52 174.79 1dm8 h GLU 363 N 0.00 0.32 0.00 4.72 5.08 -1.54 0.14 114.58 123.30 1dm8 h GLU 363 Ca -0.00 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1dm8 h GLU 363 Cb 0.38 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1dm8 h GLU 363 CO 0.03 0.21 -0.37 0.82 -1.00 0.00 0.00 179.01 178.70 1dm8 h ILE 364 N 0.33 0.99 -0.09 3.13 2.04 -1.60 -0.90 117.51 121.41 1dm8 h ILE 364 Ca 0.24 -1.86 -0.08 0.00 1.00 0.00 0.00 64.86 64.16 1dm8 h ILE 364 Cb 0.27 1.99 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 1dm8 h ILE 364 CO -0.26 0.34 -0.30 1.23 0.00 0.00 0.00 178.15 179.16 1dm8 h GLY 365 N -1.00 0.17 0.00 5.37 0.00 -0.68 -1.53 103.07 105.40 1dm8 h GLY 365 Ca -0.09 -0.14 -0.26 0.00 0.00 0.00 0.00 47.33 46.85 1dm8 h GLY 365 CO -0.05 0.13 -1.81 2.41 0.00 0.00 0.00 176.54 177.21 1dm8 n THR 366 N -4.14 1.11 0.05 4.70 -1.04 0.42 -4.30 114.28 111.08 1dm8 n THR 366 Ca -0.01 -0.17 -0.03 0.00 -2.04 0.00 0.00 64.05 61.79 1dm8 n THR 366 Cb 0.38 -1.82 -0.01 0.00 -1.82 0.00 0.00 70.33 67.05 1dm8 n THR 366 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1dm8 h ARG 367 N -0.68 -0.17 -0.88 -2.82 2.47 -1.37 -2.55 114.38 108.37 1dm8 h ARG 367 Ca -0.39 0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.35 1dm8 h ARG 367 Cb 1.29 0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 29.60 1dm8 h ARG 367 CO -0.24 -0.11 0.58 -0.91 0.56 0.00 0.00 179.97 179.85 1dm8 h ASN 368 N -0.66 1.01 0.48 7.04 2.35 -1.22 -1.23 115.58 123.35 1dm8 h ASN 368 Ca -0.02 -0.02 -0.29 0.00 -0.55 0.00 0.00 56.30 55.41 1dm8 h ASN 368 Cb 0.14 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 38.21 1dm8 h ASN 368 CO 0.03 0.72 -1.70 -0.07 -1.65 0.00 0.00 177.43 174.76 1dm8 h LEU 369 N 1.19 0.04 0.00 1.61 3.38 -1.47 -2.83 115.31 117.23 1dm8 h LEU 369 Ca 0.33 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1dm8 h LEU 369 Cb -0.12 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1dm8 h LEU 369 CO -0.08 1.08 -0.83 0.00 0.09 0.00 0.00 178.44 178.70 1dm8 n ASP 371 N -1.44 2.32 -0.02 0.00 10.43 -0.47 -4.53 116.55 122.85 1dm8 n ASP 371 Ca 0.02 1.05 0.03 0.00 2.57 0.00 0.00 54.79 58.47 1dm8 n ASP 371 Cb 0.25 -1.49 0.40 0.00 1.84 0.00 0.00 41.12 42.12 1dm8 n ASP 371 CO 0.00 0.00 0.00 -0.65 -1.07 0.00 0.00 177.20 175.48 1dm8 h PRO 372 N 1.78 0.57 -0.65 -0.24 0.11 -1.95 -1.94 132.00 129.69 1dm8 h PRO 372 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1dm8 h PRO 372 Cb 1.31 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1dm8 h PRO 372 CO 0.58 0.39 0.00 -2.39 -0.21 0.00 0.00 178.00 176.38 1dm8 n HIS 373 N -4.46 1.29 0.00 0.65 1.44 -1.26 -4.62 115.22 108.26 1dm8 n HIS 373 Ca 0.03 -0.48 0.00 0.00 -2.01 0.00 0.00 57.72 55.26 1dm8 n HIS 373 Cb 0.07 -0.28 0.00 0.00 0.12 0.00 0.00 29.99 29.90 1dm8 n HIS 373 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1dm8 n ARG 374 N 0.65 0.84 0.22 -1.40 5.12 -0.75 -4.35 116.66 117.00 1dm8 n ARG 374 Ca 0.20 0.00 0.07 0.00 -1.93 0.00 0.00 57.85 56.18 1dm8 n ARG 374 Cb 0.80 0.00 0.50 0.00 -1.16 0.00 0.00 32.46 32.60 1dm8 n ARG 374 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1dm8 h TYR 375 N 0.00 0.00 -6.20 -1.55 -1.99 -1.67 -3.41 116.97 102.16 1dm8 h TYR 375 Ca 0.00 0.00 -0.43 0.00 2.00 0.00 0.00 58.73 60.30 1dm8 h TYR 375 Cb 0.00 0.00 0.05 0.00 2.00 0.00 0.00 36.73 38.78 1dm8 h TYR 375 CO 0.00 0.25 -0.89 -1.71 -0.00 0.00 0.00 178.16 175.81 1dm8 n ASN 376 N -3.96 -2.80 -0.74 3.88 4.05 -0.85 -4.90 115.26 109.94 1dm8 n ASN 376 Ca -0.02 -0.93 0.12 0.00 0.45 0.00 0.00 54.58 54.20 1dm8 n ASN 376 Cb 0.33 -3.64 0.33 0.00 1.23 0.00 0.00 39.78 38.02 1dm8 n ASN 376 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 1dm8 n ILE 377 N -4.20 0.18 -0.07 -1.44 -5.35 -0.43 -4.54 119.36 103.51 1dm8 n ILE 377 Ca -0.21 -0.44 -0.08 0.00 -0.27 0.00 0.00 62.75 61.75 1dm8 n ILE 377 Cb 0.65 0.74 -0.02 0.00 -1.74 0.00 0.00 39.64 39.27 1dm8 n ILE 377 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 1dm8 h LEU 378 N 3.20 -0.86 -0.48 7.28 5.85 -1.85 -1.77 115.31 126.68 1dm8 h LEU 378 Ca 0.00 0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.88 1dm8 h LEU 378 Cb 0.69 0.40 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 1dm8 h LEU 378 CO 0.00 -0.29 0.32 -0.08 -0.34 0.00 0.00 178.44 178.05 1dm8 h GLU 379 N -0.25 0.64 -0.44 1.25 4.81 -1.98 -1.13 114.58 117.47 1dm8 h GLU 379 Ca 0.15 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.38 1dm8 h GLU 379 Cb 0.49 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.68 1dm8 h GLU 379 CO -0.43 0.42 0.21 -0.44 -0.73 0.00 0.00 179.01 178.04 1dm8 h ASP 380 N 0.65 0.30 0.08 1.04 3.32 -1.77 0.32 116.42 120.36 1dm8 h ASP 380 Ca 0.18 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.16 1dm8 h ASP 380 Cb -0.07 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1dm8 h ASP 380 CO -0.04 0.21 -0.32 0.58 -1.72 0.00 0.00 179.24 177.95 1dm8 h VAL 381 N 0.42 1.28 -0.26 -1.35 2.07 -1.09 -2.41 116.25 114.92 1dm8 h VAL 381 Ca 0.19 -1.36 -0.06 0.00 0.82 0.00 0.00 66.70 66.29 1dm8 h VAL 381 Cb 0.11 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1dm8 h VAL 381 CO -0.15 0.42 -0.07 0.00 0.02 0.00 0.00 177.57 177.79 1dm8 h ALA 382 N 1.35 0.35 -0.70 1.67 0.00 -0.51 -1.33 119.26 120.09 1dm8 h ALA 382 Ca 0.04 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.74 1dm8 h ALA 382 Cb 0.73 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1dm8 h ALA 382 CO 0.06 0.17 0.46 0.28 0.00 0.00 0.00 179.25 180.22 1dm8 h VAL 383 N 0.24 1.02 -0.25 0.00 2.07 -0.80 0.20 116.25 118.74 1dm8 h VAL 383 Ca 0.06 -0.25 -0.16 0.00 0.82 0.00 0.00 66.70 67.17 1dm8 h VAL 383 Cb 0.55 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1dm8 h VAL 383 CO 0.03 0.13 -0.48 0.00 0.02 0.00 0.00 177.57 177.27 1dm8 n MET 385 N -4.12 1.07 -3.93 0.00 2.81 -0.54 -4.91 117.12 107.51 1dm8 n MET 385 Ca -0.05 -0.11 -0.40 0.00 -1.81 0.00 0.00 57.70 55.32 1dm8 n MET 385 Cb 0.58 -1.18 0.03 0.00 -0.71 0.00 0.00 33.22 31.94 1dm8 n MET 385 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1dm8 n ASP 386 N -0.56 -4.34 -4.99 7.83 2.03 0.56 -4.98 116.55 112.10 1dm8 n ASP 386 Ca 0.09 -1.19 -0.19 0.00 0.52 0.00 0.00 54.79 54.02 1dm8 n ASP 386 Cb 0.06 -2.36 -0.00 0.00 -0.72 0.00 0.00 41.12 38.11 1dm8 n ASP 386 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1dm8 s LEU 387 N -7.08 3.94 -0.99 -2.67 1.43 -0.28 -5.01 118.68 108.02 1dm8 s LEU 387 Ca 0.46 -0.22 -0.20 0.00 -1.03 0.00 0.00 54.13 53.15 1dm8 s LEU 387 Cb -0.22 -2.74 0.10 0.00 0.03 0.00 0.00 46.19 43.36 1dm8 s LEU 387 CO 0.93 -0.47 1.28 -0.62 0.23 0.00 0.00 176.35 177.70 1dm8 s ASP 388 N -4.19 6.61 -0.00 2.29 -1.08 -1.26 -4.70 116.67 114.34 1dm8 s ASP 388 Ca 0.46 -1.89 0.01 0.00 -0.52 0.00 0.00 52.55 50.61 1dm8 s ASP 388 Cb -0.10 -2.47 0.03 0.00 -1.46 0.00 0.00 42.92 38.93 1dm8 s ASP 388 CO 0.31 -1.21 0.96 0.35 0.52 0.00 0.00 175.17 176.10 1dm8 n THR 389 N 5.99 0.05 0.68 1.71 -2.24 -1.26 -3.64 114.28 115.57 1dm8 n THR 389 Ca 0.29 -0.05 0.11 0.00 -2.27 0.00 0.00 64.05 62.13 1dm8 n THR 389 Cb 0.49 -0.04 0.05 0.00 -2.10 0.00 0.00 70.33 68.72 1dm8 n THR 389 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1dm8 n ARG 390 N -0.35 0.21 -4.01 -0.78 1.74 -1.26 -4.91 116.66 107.30 1dm8 n ARG 390 Ca 0.01 -0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.94 1dm8 n ARG 390 Cb 0.06 -1.57 -0.15 0.00 -1.02 0.00 0.00 32.46 29.78 1dm8 n ARG 390 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1dm8 s THR 391 N -3.14 0.23 0.30 0.55 -1.32 -1.24 -5.05 115.64 105.97 1dm8 s THR 391 Ca 0.05 -0.08 -0.00 0.00 -1.21 0.00 0.00 61.69 60.45 1dm8 s THR 391 Cb 0.15 -0.23 0.20 0.00 -1.51 0.00 0.00 72.50 71.11 1dm8 s THR 391 CO 0.79 0.09 1.90 0.71 -2.21 0.00 0.00 174.62 175.90 1dm8 h THR 392 N 5.39 1.21 0.00 5.08 1.35 -1.90 -3.07 112.91 120.97 1dm8 h THR 392 Ca -0.31 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 1dm8 h THR 392 Cb 1.18 0.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 1dm8 h THR 392 CO 0.50 0.25 0.00 -1.54 -0.25 0.00 0.00 175.52 174.48 1dm8 n SER 393 N -4.34 0.00 -0.03 5.36 3.41 -1.26 -1.54 113.62 115.22 1dm8 n SER 393 Ca 0.05 -0.07 0.13 0.00 -0.26 0.00 0.00 58.87 58.72 1dm8 n SER 393 Cb 0.15 -0.15 0.44 0.00 -0.26 0.00 0.00 64.21 64.39 1dm8 n SER 393 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1dm8 n SER 394 N -1.15 0.36 -3.38 4.04 3.41 -1.16 -4.91 113.62 110.82 1dm8 n SER 394 Ca 0.06 -0.10 -0.25 0.00 -0.26 0.00 0.00 58.87 58.33 1dm8 n SER 394 Cb 0.06 -0.06 0.02 0.00 -0.26 0.00 0.00 64.21 63.98 1dm8 n SER 394 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1dm8 n LEU 395 N -1.36 -2.34 0.02 1.04 4.77 -0.59 -4.88 117.00 113.66 1dm8 n LEU 395 Ca 0.08 -0.45 0.02 0.00 -0.03 0.00 0.00 56.01 55.63 1dm8 n LEU 395 Cb 0.33 -2.61 0.38 0.00 -2.33 0.00 0.00 43.42 39.19 1dm8 n LEU 395 CO 0.30 0.30 1.05 4.11 -1.33 0.00 0.00 177.39 181.82 1dm8 h TRP 396 N -1.52 0.49 -0.25 -1.77 5.08 -1.84 -1.86 115.95 114.28 1dm8 h TRP 396 Ca -0.51 -0.02 -0.03 0.00 1.08 0.00 0.00 58.89 59.41 1dm8 h TRP 396 Cb 1.34 -0.15 -0.01 0.00 -3.00 0.00 0.00 29.16 27.34 1dm8 h TRP 396 CO 0.58 0.40 0.05 0.87 -1.28 0.00 0.00 178.44 179.06 1dm8 h LYS 397 N 0.49 0.41 -0.38 0.12 1.57 -1.90 -2.09 116.57 114.79 1dm8 h LYS 397 Ca 0.12 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1dm8 h LYS 397 Cb 0.12 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1dm8 h LYS 397 CO -0.01 0.52 0.25 -0.44 -0.57 0.00 0.00 179.45 179.20 1dm8 h ASP 398 N 0.23 0.43 0.11 0.86 5.19 -1.84 -1.09 116.42 120.30 1dm8 h ASP 398 Ca 0.08 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.47 1dm8 h ASP 398 Cb 0.31 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.71 1dm8 h ASP 398 CO 0.00 0.31 -0.05 0.11 -3.12 0.00 0.00 179.24 176.49 1dm8 h LYS 399 N 0.51 -0.14 -0.55 3.56 1.57 -1.31 -2.08 116.57 118.13 1dm8 h LYS 399 Ca 0.14 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.96 1dm8 h LYS 399 Cb -0.06 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 1dm8 h LYS 399 CO -0.03 -0.00 0.32 0.00 -0.57 0.00 0.00 179.45 179.16 1dm8 h ALA 400 N 0.64 0.71 -0.83 3.86 0.00 -1.32 -2.38 119.26 119.93 1dm8 h ALA 400 Ca -0.01 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1dm8 h ALA 400 Cb 0.20 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 1dm8 h ALA 400 CO 0.02 0.02 0.52 0.00 0.00 0.00 0.00 179.25 179.81 1dm8 h ALA 401 N 1.26 1.13 -0.12 0.00 0.00 -1.08 -0.42 119.26 120.03 1dm8 h ALA 401 Ca 0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1dm8 h ALA 401 Cb 0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1dm8 h ALA 401 CO -0.12 0.27 0.07 0.28 0.00 0.00 0.00 179.25 179.75 1dm8 h VAL 402 N 0.95 1.09 -0.68 0.00 2.07 -0.89 -1.77 116.25 117.01 1dm8 h VAL 402 Ca 0.36 -0.24 -0.07 0.00 0.82 0.00 0.00 66.70 67.57 1dm8 h VAL 402 Cb 0.14 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1dm8 h VAL 402 CO -0.16 0.08 0.16 -0.33 0.02 0.00 0.00 177.57 177.33 1dm8 h GLU 403 N 0.11 1.09 -0.74 1.57 4.39 -1.00 -0.42 114.58 119.59 1dm8 h GLU 403 Ca 0.04 -0.26 -0.01 0.00 0.34 0.00 0.00 59.36 59.48 1dm8 h GLU 403 Cb 0.07 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.54 1dm8 h GLU 403 CO -0.01 0.97 0.44 0.82 -1.16 0.00 0.00 179.01 180.07 1dm8 h ILE 404 N 1.04 1.21 -0.49 3.13 2.04 -0.97 0.36 117.51 123.83 1dm8 h ILE 404 Ca 0.21 -0.48 -0.12 0.00 1.00 0.00 0.00 64.86 65.48 1dm8 h ILE 404 Cb 0.38 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1dm8 h ILE 404 CO 0.00 0.22 -0.16 0.78 0.00 0.00 0.00 178.15 179.00 1dm8 h ASN 405 N 1.01 0.99 -0.61 1.72 2.35 -0.99 -1.63 115.58 118.42 1dm8 h ASN 405 Ca 0.26 -0.37 -0.04 0.00 -0.55 0.00 0.00 56.30 55.60 1dm8 h ASN 405 Cb -0.02 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.05 1dm8 h ASN 405 CO -0.05 1.14 0.26 0.25 -1.65 0.00 0.00 177.43 177.37 1dm8 h LEU 406 N 0.83 0.86 -0.34 1.61 5.85 -0.49 -1.77 115.31 121.85 1dm8 h LEU 406 Ca 0.12 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1dm8 h LEU 406 Cb 0.73 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1dm8 h LEU 406 CO 0.06 0.77 0.18 0.00 -0.34 0.00 0.00 178.44 179.11 1dm8 h ALA 407 N 1.35 0.44 -0.29 1.25 0.00 0.12 -0.61 119.26 121.52 1dm8 h ALA 407 Ca 0.22 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1dm8 h ALA 407 Cb 0.18 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1dm8 h ALA 407 CO -0.02 -0.02 0.10 0.28 0.00 0.00 0.00 179.25 179.60 1dm8 h VAL 408 N 0.42 0.92 -0.01 0.00 2.07 -0.75 -0.37 116.25 118.53 1dm8 h VAL 408 Ca 0.12 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 1dm8 h VAL 408 Cb 0.09 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1dm8 h VAL 408 CO -0.02 0.04 0.01 -0.07 0.02 0.00 0.00 177.57 177.55 1dm8 h LEU 409 N 0.23 0.01 -0.41 2.57 3.38 -1.14 -2.04 115.31 117.91 1dm8 h LEU 409 Ca 0.13 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.10 1dm8 h LEU 409 Cb 0.10 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1dm8 h LEU 409 CO -0.13 0.06 0.16 -0.74 0.09 0.00 0.00 178.44 177.88 1dm8 h HIS 410 N -0.03 0.29 -0.64 1.13 2.76 -0.86 -1.38 115.15 116.42 1dm8 h HIS 410 Ca 0.00 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.10 1dm8 h HIS 410 Cb 0.05 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 28.91 1dm8 h HIS 410 CO -0.06 0.12 0.05 0.77 -1.30 0.00 0.00 177.93 177.51 1dm8 h SER 411 N 0.34 1.06 -0.58 3.26 0.02 -0.98 -0.26 113.55 116.41 1dm8 h SER 411 Ca 0.19 -0.28 -0.10 0.00 -0.84 0.00 0.00 61.79 60.76 1dm8 h SER 411 Cb 0.15 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1dm8 h SER 411 CO -0.17 1.08 -0.02 -0.26 -1.14 0.00 0.00 176.83 176.32 1dm8 h PHE 412 N 1.01 1.14 -0.28 3.45 0.04 -1.19 -1.36 116.94 119.74 1dm8 h PHE 412 Ca 0.19 -0.20 -0.03 0.00 2.80 0.00 0.00 57.97 60.72 1dm8 h PHE 412 Cb 0.51 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.35 1dm8 h PHE 412 CO 0.04 1.02 0.06 1.96 -0.60 0.00 0.00 178.31 180.79 1dm8 h GLN 413 N 0.93 0.45 -0.14 1.51 4.20 -1.04 -0.14 115.11 120.88 1dm8 h GLN 413 Ca 0.16 -0.11 0.04 0.00 0.06 0.00 0.00 58.65 58.80 1dm8 h GLN 413 Cb 0.58 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.25 1dm8 h GLN 413 CO 0.03 0.54 -0.16 -0.07 -0.67 0.00 0.00 178.83 178.50 1dm8 h LEU 414 N 0.28 -0.51 0.00 1.46 3.38 -0.90 -1.01 115.31 118.01 1dm8 h LEU 414 Ca 0.09 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1dm8 h LEU 414 Cb 0.30 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1dm8 h LEU 414 CO 0.00 -0.21 0.00 0.00 0.09 0.00 0.00 178.44 178.32 1dm8 n ALA 415 N -2.60 2.19 -3.63 1.53 0.00 -0.53 -4.88 120.51 112.60 1dm8 n ALA 415 Ca -0.03 -0.12 -0.22 0.00 0.00 0.00 0.00 53.44 53.07 1dm8 n ALA 415 Cb 0.23 -1.31 0.06 0.00 0.00 0.00 0.00 19.45 18.42 1dm8 n ALA 415 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1dm8 n LYS 416 N -1.05 -6.43 -4.79 0.00 5.02 -0.38 -4.96 118.16 105.57 1dm8 n LYS 416 Ca 0.14 0.74 -0.33 0.00 -2.02 0.00 0.00 58.31 56.84 1dm8 n LYS 416 Cb 0.08 -5.65 -0.14 0.00 -0.02 0.00 0.00 35.03 29.31 1dm8 n LYS 416 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1dm8 s VAL 417 N -3.41 3.11 0.28 -0.18 1.01 -0.15 -4.33 120.40 116.72 1dm8 s VAL 417 Ca 0.30 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.31 1dm8 s VAL 417 Cb -0.14 -2.28 -0.12 0.00 0.00 0.00 0.00 36.38 33.84 1dm8 s VAL 417 CO 0.77 0.55 1.55 0.41 0.00 0.00 0.00 175.10 178.38 1dm8 n THR 418 N 3.09 1.00 -3.50 3.92 -1.04 0.24 -4.42 114.28 113.57 1dm8 n THR 418 Ca -0.18 -0.25 -0.12 0.00 -2.04 0.00 0.00 64.05 61.46 1dm8 n THR 418 Cb 0.53 -1.84 -0.04 0.00 -1.82 0.00 0.00 70.33 67.16 1dm8 n THR 418 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1dm8 s ILE 419 N -0.02 0.00 -0.02 12.58 2.07 -1.26 -4.50 121.20 130.06 1dm8 s ILE 419 Ca 0.65 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.90 1dm8 s ILE 419 Cb -0.53 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.07 1dm8 s ILE 419 CO 0.49 0.00 -0.05 0.54 -1.91 0.00 0.00 174.94 174.01 1dm8 s VAL 420 N -2.43 0.45 0.65 4.00 0.11 -0.96 -5.00 120.40 117.23 1dm8 s VAL 420 Ca -0.01 -0.16 -0.11 0.00 -2.93 0.00 0.00 61.98 58.77 1dm8 s VAL 420 Cb -0.01 -0.44 -0.02 0.00 -1.53 0.00 0.00 36.38 34.38 1dm8 s VAL 420 CO -0.04 0.17 1.04 1.51 -3.33 0.00 0.00 175.10 174.46 1dm8 s ASP 421 N 0.39 5.97 0.64 3.54 -4.77 -1.26 -0.81 116.67 120.37 1dm8 s ASP 421 Ca -0.05 1.41 0.42 0.00 -3.30 0.00 0.00 52.55 51.04 1dm8 s ASP 421 Cb -0.08 -2.40 2.20 0.00 -1.09 0.00 0.00 42.92 41.55 1dm8 s ASP 421 CO -0.00 -1.04 2.28 1.12 0.70 0.00 0.00 175.17 178.24 1dm8 h HIS 422 N -0.44 0.00 0.12 2.11 2.07 -1.97 -0.00 115.15 117.04 1dm8 h HIS 422 Ca -0.44 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.07 1dm8 h HIS 422 Cb 1.20 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.18 1dm8 h HIS 422 CO 0.63 0.00 -0.06 0.45 -3.07 0.00 0.00 177.93 175.88 1dm8 h HIS 423 N 0.00 -0.14 -0.45 6.12 3.86 -1.98 -2.65 115.15 119.91 1dm8 h HIS 423 Ca 0.00 -0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.25 1dm8 h HIS 423 Cb 0.10 0.05 -0.04 0.00 1.06 0.00 0.00 27.41 28.57 1dm8 h HIS 423 CO 0.00 0.18 0.19 0.00 0.86 0.00 0.00 177.93 179.16 1dm8 h ALA 424 N -0.67 0.55 -0.09 2.45 0.00 -1.89 -1.02 119.26 118.60 1dm8 h ALA 424 Ca -0.02 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1dm8 h ALA 424 Cb 0.39 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1dm8 h ALA 424 CO 0.03 -0.18 -0.17 0.00 0.00 0.00 0.00 179.25 178.93 1dm8 h ALA 425 N 1.27 -0.13 -0.45 0.00 0.00 -1.12 -1.03 119.26 117.81 1dm8 h ALA 425 Ca 0.20 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 1dm8 h ALA 425 Cb 0.15 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1dm8 h ALA 425 CO -0.17 -0.63 -0.02 1.79 0.00 0.00 0.00 179.25 180.21 1dm8 h THR 426 N -0.23 1.26 -0.53 0.00 1.35 -1.22 -1.61 112.91 111.94 1dm8 h THR 426 Ca 0.08 -1.08 0.09 0.00 -0.55 0.00 0.00 66.41 64.95 1dm8 h THR 426 Cb 0.34 1.07 -0.07 0.00 -1.73 0.00 0.00 68.15 67.76 1dm8 h THR 426 CO -0.22 0.37 0.14 0.58 -0.25 0.00 0.00 175.52 176.14 1dm8 h VAL 427 N 0.65 0.74 -0.18 6.82 2.07 -0.95 -0.54 116.25 124.86 1dm8 h VAL 427 Ca 0.12 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 67.48 1dm8 h VAL 427 Cb 0.53 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1dm8 h VAL 427 CO 0.03 0.05 -0.20 0.77 0.02 0.00 0.00 177.57 178.24 1dm8 h SER 428 N 0.29 0.30 0.39 0.57 4.64 -0.93 -1.37 113.55 117.43 1dm8 h SER 428 Ca 0.27 -0.08 -0.08 0.00 -0.47 0.00 0.00 61.79 61.43 1dm8 h SER 428 Cb 0.35 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 1dm8 h SER 428 CO -0.32 0.51 -0.37 0.15 -0.87 0.00 0.00 176.83 175.93 1dm8 h PHE 429 N 0.28 0.00 -0.49 4.77 3.57 -0.16 -0.04 116.94 124.87 1dm8 h PHE 429 Ca 0.05 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.42 1dm8 h PHE 429 Cb 0.51 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1dm8 h PHE 429 CO 0.01 0.37 -0.20 0.52 -2.23 0.00 0.00 178.31 176.78 1dm8 h MET 430 N 0.00 1.00 -0.64 1.11 2.86 -0.04 -0.04 114.93 119.18 1dm8 h MET 430 Ca -0.00 -0.42 -0.05 0.00 -2.06 0.00 0.00 59.70 57.16 1dm8 h MET 430 Cb 0.66 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.26 1dm8 h MET 430 CO 0.05 1.10 0.18 -0.22 1.06 0.00 0.00 176.91 179.08 1dm8 h LYS 431 N 0.87 0.99 -0.56 1.72 1.63 -0.99 -1.53 116.57 118.70 1dm8 h LYS 431 Ca 0.12 -0.20 -0.02 0.00 -0.85 0.00 0.00 60.65 59.69 1dm8 h LYS 431 Cb 0.77 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 32.23 1dm8 h LYS 431 CO 0.06 0.86 0.28 1.25 -3.45 0.00 0.00 179.45 178.45 1dm8 h HIS 432 N 0.95 0.80 -0.89 1.91 2.76 -0.51 -0.14 115.15 120.03 1dm8 h HIS 432 Ca 0.21 -0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.34 1dm8 h HIS 432 Cb 0.30 -0.25 -0.04 0.00 1.55 0.00 0.00 27.41 28.96 1dm8 h HIS 432 CO 0.02 0.61 0.54 -0.07 -1.30 0.00 0.00 177.93 177.73 1dm8 h LEU 433 N 0.76 1.07 -0.19 0.26 3.38 -0.40 0.11 115.31 120.29 1dm8 h LEU 433 Ca 0.19 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1dm8 h LEU 433 Cb 0.10 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1dm8 h LEU 433 CO -0.03 0.82 0.07 0.44 0.09 0.00 0.00 178.44 179.84 1dm8 h ASP 434 N 1.22 0.27 -0.10 -0.43 3.45 -0.88 -0.55 116.42 119.41 1dm8 h ASP 434 Ca 0.32 -0.17 0.03 0.00 0.43 0.00 0.00 57.03 57.63 1dm8 h ASP 434 Cb -0.05 -0.07 -0.03 0.00 -0.56 0.00 0.00 39.33 38.62 1dm8 h ASP 434 CO -0.06 0.37 -0.05 0.78 -1.57 0.00 0.00 179.24 178.71 1dm8 h ASN 435 N 0.15 -0.17 0.06 6.45 2.35 -0.45 -2.73 115.58 121.24 1dm8 h ASN 435 Ca 0.06 0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.80 1dm8 h ASN 435 Cb 0.19 0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 1dm8 h ASN 435 CO -0.00 -0.07 -0.17 -0.33 -1.65 0.00 0.00 177.43 175.21 1dm8 h GLU 436 N -0.05 0.22 -0.28 0.81 4.39 -0.72 -1.22 114.58 117.73 1dm8 h GLU 436 Ca 0.06 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.72 1dm8 h GLU 436 Cb 0.13 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 1dm8 h GLU 436 CO -0.13 0.39 0.16 0.37 -1.16 0.00 0.00 179.01 178.63 1dm8 h GLN 437 N 0.20 0.32 -0.34 2.33 5.75 -0.79 0.97 115.11 123.56 1dm8 h GLN 437 Ca 0.04 -0.02 -0.06 0.00 -0.15 0.00 0.00 58.65 58.46 1dm8 h GLN 437 Cb 0.42 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.89 1dm8 h GLN 437 CO 0.03 0.21 -0.02 0.87 -2.65 0.00 0.00 178.83 177.26 1dm8 h LYS 438 N 0.33 0.61 -0.01 1.69 1.57 -1.29 0.27 116.57 119.74 1dm8 h LYS 438 Ca 0.11 -0.21 -0.21 0.00 -1.87 0.00 0.00 60.65 58.47 1dm8 h LYS 438 Cb 0.01 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 1dm8 h LYS 438 CO -0.06 0.75 -0.90 0.00 -0.57 0.00 0.00 179.45 178.67 1dm8 h ALA 439 N 0.84 0.44 0.00 3.86 0.00 -1.03 -3.40 119.26 119.96 1dm8 h ALA 439 Ca 0.09 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1dm8 h ALA 439 Cb 0.49 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1dm8 h ALA 439 CO 0.02 0.84 0.00 0.54 0.00 0.00 0.00 179.25 180.65 1dm8 n ARG 440 N -3.73 2.18 -0.94 0.00 1.74 0.30 -5.03 116.66 111.18 1dm8 n ARG 440 Ca -0.05 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 56.96 1dm8 n ARG 440 Cb 0.81 -0.38 0.00 0.00 -1.02 0.00 0.00 32.46 31.88 1dm8 n ARG 440 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1dm8 n GLY 441 N 0.33 0.57 0.00 -0.13 0.00 0.08 -4.06 105.19 101.99 1dm8 n GLY 441 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1dm8 n GLY 441 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dm8 n GLY 442 N -2.38 0.70 3.24 -0.02 0.00 -1.21 -0.78 105.19 104.73 1dm8 n GLY 442 Ca 0.00 -1.44 -0.05 0.00 0.00 0.00 0.00 46.02 44.53 1dm8 n GLY 442 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dm8 s PRO 444 N 2.70 4.22 -0.09 0.00 0.04 -1.26 -4.59 135.00 136.03 1dm8 s PRO 444 Ca 0.05 2.27 -0.06 0.00 0.04 0.00 0.00 61.00 63.30 1dm8 s PRO 444 Cb -0.13 -3.46 0.03 0.00 0.04 0.00 0.00 34.50 30.98 1dm8 s PRO 444 CO -0.16 -0.66 0.22 0.00 0.04 0.00 0.00 177.00 176.44 1dm8 s ALA 445 N 2.12 -0.51 -0.67 8.56 0.00 -0.54 -4.07 121.76 126.65 1dm8 s ALA 445 Ca 0.71 0.76 -0.18 0.00 0.00 0.00 0.00 51.96 53.25 1dm8 s ALA 445 Cb -0.40 -0.47 0.12 0.00 0.00 0.00 0.00 23.12 22.38 1dm8 s ALA 445 CO 0.31 -0.14 0.76 0.34 0.00 0.00 0.00 175.76 177.03 1dm8 s ASP 446 N 0.66 6.32 0.17 0.00 -1.08 -0.25 -3.70 116.67 118.80 1dm8 s ASP 446 Ca -0.05 -1.70 -0.25 0.00 -0.52 0.00 0.00 52.55 50.03 1dm8 s ASP 446 Cb -0.06 -2.30 0.05 0.00 -1.46 0.00 0.00 42.92 39.15 1dm8 s ASP 446 CO -0.04 -1.03 1.57 -0.25 0.52 0.00 0.00 175.17 175.94 1dm8 h TRP 447 N 8.94 -1.26 -0.51 -5.34 7.01 -1.90 0.06 115.95 122.94 1dm8 h TRP 447 Ca -0.18 0.08 0.15 0.00 2.11 0.00 0.00 58.89 61.05 1dm8 h TRP 447 Cb 1.07 0.64 -0.02 0.00 -2.10 0.00 0.00 29.16 28.75 1dm8 h TRP 447 CO 0.90 -0.42 0.47 0.00 -2.79 0.00 0.00 178.44 176.61 1dm8 h ALA 448 N 0.67 2.29 0.00 2.65 0.00 -1.92 -0.76 119.26 122.19 1dm8 h ALA 448 Ca 0.19 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.87 1dm8 h ALA 448 Cb 0.56 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1dm8 h ALA 448 CO -0.71 -0.73 -1.85 0.91 0.00 0.00 0.00 179.25 176.87 1dm8 n TRP 449 N -3.88 0.49 0.08 0.00 7.02 -0.35 -4.40 117.44 116.40 1dm8 n TRP 449 Ca 0.09 0.16 -0.19 0.00 -1.02 0.00 0.00 57.50 56.55 1dm8 n TRP 449 Cb 0.68 -0.95 -0.11 0.00 -2.42 0.00 0.00 31.31 28.51 1dm8 n TRP 449 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 1dm8 h ILE 450 N 0.00 1.33 -3.06 -0.99 1.08 0.30 -3.44 117.51 112.74 1dm8 h ILE 450 Ca -0.26 -2.47 -0.54 0.00 -0.39 0.00 0.00 64.86 61.20 1dm8 h ILE 450 Cb 1.71 2.59 0.00 0.00 -3.07 0.00 0.00 36.82 38.05 1dm8 h ILE 450 CO 0.03 0.75 0.69 -0.69 -0.69 0.00 0.00 178.15 178.25 1dm8 s VAL 451 N -3.08 3.85 0.61 1.67 1.01 -0.47 -4.97 120.40 119.02 1dm8 s VAL 451 Ca -0.08 1.28 -0.19 0.00 0.00 0.00 0.00 61.98 62.99 1dm8 s VAL 451 Cb 0.07 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 1dm8 s VAL 451 CO 0.91 0.05 1.25 -2.65 0.00 0.00 0.00 175.10 174.67 1dm8 n PRO 452 N 4.58 1.25 0.08 2.72 -0.02 -1.26 -4.92 135.00 137.43 1dm8 n PRO 452 Ca 0.11 0.48 0.08 0.00 -2.02 0.00 0.00 63.50 62.15 1dm8 n PRO 452 Cb 0.45 -2.48 0.37 0.00 -0.02 0.00 0.00 33.50 31.82 1dm8 n PRO 452 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1dm8 n PRO 453 N -1.46 0.09 -4.02 0.52 -0.04 -1.26 -4.07 135.00 124.77 1dm8 n PRO 453 Ca 0.14 0.44 -0.11 0.00 -0.04 0.00 0.00 63.50 63.93 1dm8 n PRO 453 Cb 0.47 -1.72 -0.12 0.00 -0.04 0.00 0.00 33.50 32.09 1dm8 n PRO 453 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1dm8 s ILE 454 N -3.22 0.29 -1.70 0.52 -4.36 -1.26 -4.86 121.20 106.61 1dm8 s ILE 454 Ca 0.03 -0.83 -0.01 0.00 -0.26 0.00 0.00 60.65 59.58 1dm8 s ILE 454 Cb 0.07 -0.38 0.00 0.00 1.25 0.00 0.00 42.46 43.40 1dm8 s ILE 454 CO 0.23 -0.35 0.08 -1.20 0.24 0.00 0.00 174.94 173.94 1dm8 n SER 455 N 1.80 -5.78 -0.25 4.36 7.64 -1.26 -4.92 113.62 115.21 1dm8 n SER 455 Ca -0.21 -0.04 -0.07 0.00 1.01 0.00 0.00 58.87 59.56 1dm8 n SER 455 Cb 0.56 -4.79 -0.06 0.00 -1.01 0.00 0.00 64.21 58.90 1dm8 n SER 455 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dm8 n GLY 456 N -1.07 -2.22 0.00 0.23 0.00 -1.26 -0.71 105.19 100.16 1dm8 n GLY 456 Ca -0.22 0.84 0.10 0.00 0.00 0.00 0.00 46.02 46.74 1dm8 n GLY 456 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1dm8 n SER 457 N -4.44 0.00 0.07 1.61 3.41 -1.26 -2.45 113.62 110.56 1dm8 n SER 457 Ca 0.01 0.07 0.13 0.00 -0.26 0.00 0.00 58.87 58.83 1dm8 n SER 457 Cb 0.16 -0.32 0.47 0.00 -0.26 0.00 0.00 64.21 64.25 1dm8 n SER 457 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1dm8 n LEU 458 N -1.32 0.56 -4.89 1.04 4.77 0.12 -4.78 117.00 112.50 1dm8 n LEU 458 Ca 0.09 0.56 -0.30 0.00 -0.03 0.00 0.00 56.01 56.32 1dm8 n LEU 458 Cb 0.18 -0.38 -0.05 0.00 -2.33 0.00 0.00 43.42 40.84 1dm8 n LEU 458 CO 0.16 -0.14 -0.17 0.42 -1.33 0.00 0.00 177.39 176.33 1dm8 s THR 459 N -3.08 5.16 0.36 -5.08 -4.23 -1.03 -5.03 115.64 102.72 1dm8 s THR 459 Ca 0.11 -0.52 0.03 0.00 -1.18 0.00 0.00 61.69 60.14 1dm8 s THR 459 Cb 0.14 -3.53 0.27 0.00 1.34 0.00 0.00 72.50 70.72 1dm8 s THR 459 CO 0.57 0.11 2.01 1.55 -0.54 0.00 0.00 174.62 178.32 1dm8 h PRO 460 N 3.04 0.79 -0.09 3.99 0.13 -1.86 -3.03 132.00 134.96 1dm8 h PRO 460 Ca -0.46 -0.05 0.03 0.00 -0.87 0.00 0.00 66.00 64.65 1dm8 h PRO 460 Cb 1.16 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 32.11 1dm8 h PRO 460 CO 0.73 0.52 0.09 -0.39 -0.23 0.00 0.00 178.00 178.72 1dm8 h VAL 461 N 0.81 0.62 -0.63 1.56 -1.51 -1.89 -2.09 116.25 113.12 1dm8 h VAL 461 Ca 0.23 0.00 0.04 0.00 -1.23 0.00 0.00 66.70 65.74 1dm8 h VAL 461 Cb -0.05 0.93 -0.04 0.00 -2.13 0.00 0.00 31.29 30.00 1dm8 h VAL 461 CO -0.05 0.00 0.42 0.15 -1.23 0.00 0.00 177.57 176.85 1dm8 h PHE 462 N 0.00 0.71 -0.35 5.19 3.57 -1.72 -2.31 116.94 122.02 1dm8 h PHE 462 Ca 0.04 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1dm8 h PHE 462 Cb 0.22 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1dm8 h PHE 462 CO 0.00 0.41 0.00 0.72 -2.23 0.00 0.00 178.31 177.21 1dm8 n HIS 463 N -4.46 0.46 -3.81 0.41 8.25 -0.78 -4.84 115.22 110.44 1dm8 n HIS 463 Ca 0.08 -0.23 -0.36 0.00 -0.26 0.00 0.00 57.72 56.95 1dm8 n HIS 463 Cb 0.14 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.12 1dm8 n HIS 463 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1dm8 s GLN 464 N -1.54 3.15 0.60 -0.41 2.00 -0.87 -0.81 119.66 121.78 1dm8 s GLN 464 Ca 0.29 -0.80 -0.18 0.00 -2.00 0.00 0.00 55.36 52.68 1dm8 s GLN 464 Cb 0.16 -3.26 -0.03 0.00 0.80 0.00 0.00 33.01 30.68 1dm8 s GLN 464 CO 0.21 -0.37 1.15 -1.21 -0.50 0.00 0.00 175.29 174.57 1dm8 s GLU 465 N 1.48 3.02 0.02 1.67 2.02 -0.58 -5.00 118.70 121.32 1dm8 s GLU 465 Ca 0.03 1.61 0.01 0.00 0.02 0.00 0.00 54.97 56.64 1dm8 s GLU 465 Cb -0.16 -1.96 -0.02 0.00 0.10 0.00 0.00 34.13 32.09 1dm8 s GLU 465 CO 0.01 -1.12 -0.04 -1.64 0.02 0.00 0.00 175.26 172.49 1dm8 s MET 466 N -3.57 0.32 -0.17 1.61 -1.94 -1.26 -4.75 119.30 109.54 1dm8 s MET 466 Ca 0.72 -0.50 -0.04 0.00 -1.71 0.00 0.00 55.69 54.16 1dm8 s MET 466 Cb -0.25 -0.06 -0.02 0.00 2.01 0.00 0.00 34.83 36.51 1dm8 s MET 466 CO 0.34 -0.00 -0.04 0.08 -0.01 0.00 0.00 175.02 175.39 1dm8 s VAL 467 N -1.06 3.71 -0.10 -6.03 1.01 -1.26 -4.90 120.40 111.76 1dm8 s VAL 467 Ca -0.10 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.45 1dm8 s VAL 467 Cb -0.08 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 1dm8 s VAL 467 CO -0.00 0.47 -0.02 0.21 0.00 0.00 0.00 175.10 175.76 1dm8 s ASN 468 N 0.71 5.07 0.13 3.32 3.04 -1.24 -1.47 114.94 124.50 1dm8 s ASN 468 Ca -0.02 0.06 -0.25 0.00 0.04 0.00 0.00 52.86 52.69 1dm8 s ASN 468 Cb -0.15 -1.49 0.07 0.00 -1.54 0.00 0.00 41.25 38.14 1dm8 s ASN 468 CO 0.02 0.33 0.86 -0.72 -3.04 0.00 0.00 177.10 174.55 1dm8 s TYR 469 N -0.59 -0.25 -0.25 0.43 -0.85 -1.26 -4.94 117.35 109.63 1dm8 s TYR 469 Ca 0.10 -0.03 -0.10 0.00 -0.52 0.00 0.00 57.07 56.52 1dm8 s TYR 469 Cb -0.12 0.61 -0.05 0.00 0.38 0.00 0.00 41.96 42.79 1dm8 s TYR 469 CO 0.02 -0.82 0.15 0.42 -1.52 0.00 0.00 175.55 173.81 1dm8 s ILE 470 N -3.40 5.18 0.14 -3.49 1.01 -1.26 -4.85 121.20 114.52 1dm8 s ILE 470 Ca 0.09 0.12 0.11 0.00 0.00 0.00 0.00 60.65 60.96 1dm8 s ILE 470 Cb -0.02 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 38.98 1dm8 s ILE 470 CO -0.02 0.31 -0.26 -0.76 0.00 0.00 0.00 174.94 174.22 1dm8 s LEU 471 N 1.36 2.33 0.05 2.97 1.43 -1.26 -3.98 118.68 121.58 1dm8 s LEU 471 Ca 0.07 -0.76 0.08 0.00 -1.03 0.00 0.00 54.13 52.49 1dm8 s LEU 471 Cb -0.15 -1.17 -0.03 0.00 0.03 0.00 0.00 46.19 44.88 1dm8 s LEU 471 CO 0.07 0.16 -0.22 -0.55 0.23 0.00 0.00 176.35 176.03 1dm8 s SER 472 N -2.13 2.69 0.96 2.29 0.15 -1.26 -4.21 113.70 112.19 1dm8 s SER 472 Ca 0.14 -0.56 -0.13 0.00 0.70 0.00 0.00 55.95 56.09 1dm8 s SER 472 Cb -0.10 -0.22 0.00 0.00 -1.71 0.00 0.00 66.02 63.99 1dm8 s SER 472 CO 0.06 0.18 0.20 -2.65 1.20 0.00 0.00 173.24 172.23 1dm8 n PRO 473 N 1.73 -0.24 -3.43 5.44 -0.02 -1.26 -5.01 135.00 132.22 1dm8 n PRO 473 Ca -0.17 -0.03 -0.12 0.00 -2.02 0.00 0.00 63.50 61.15 1dm8 n PRO 473 Cb 0.53 -1.71 -0.02 0.00 -0.02 0.00 0.00 33.50 32.28 1dm8 n PRO 473 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dm8 s ALA 474 N -2.33 -1.61 -0.26 3.55 0.00 -0.61 -4.24 121.76 116.25 1dm8 s ALA 474 Ca 0.54 0.55 -0.09 0.00 0.00 0.00 0.00 51.96 52.96 1dm8 s ALA 474 Cb -0.21 0.83 -0.04 0.00 0.00 0.00 0.00 23.12 23.71 1dm8 s ALA 474 CO 0.70 -0.75 0.12 -0.06 0.00 0.00 0.00 175.76 175.78 1dm8 s PHE 475 N -3.59 3.14 0.33 0.00 0.40 -1.26 -1.00 117.98 116.00 1dm8 s PHE 475 Ca 0.00 -0.23 0.10 0.00 -0.60 0.00 0.00 56.93 56.20 1dm8 s PHE 475 Cb -0.01 -2.30 -0.06 0.00 0.51 0.00 0.00 43.02 41.17 1dm8 s PHE 475 CO -0.12 -0.29 -0.06 1.03 0.70 0.00 0.00 175.22 176.48 1dm8 s ARG 476 N 1.67 1.93 0.35 0.44 0.52 0.42 -4.94 118.95 119.34 1dm8 s ARG 476 Ca 0.07 -1.79 -0.13 0.00 -0.52 0.00 0.00 55.73 53.35 1dm8 s ARG 476 Cb -0.16 -1.84 -0.08 0.00 0.52 0.00 0.00 34.95 33.39 1dm8 s ARG 476 CO 0.07 0.19 0.74 0.71 0.02 0.00 0.00 175.30 177.02 1dm8 s TYR 477 N -2.53 3.41 0.04 -0.53 2.02 -1.26 -0.64 117.35 117.85 1dm8 s TYR 477 Ca 0.33 1.14 -0.00 0.00 -0.37 0.00 0.00 57.07 58.17 1dm8 s TYR 477 Cb -0.01 -2.49 -0.03 0.00 -0.40 0.00 0.00 41.96 39.03 1dm8 s TYR 477 CO 0.18 0.03 -0.03 1.14 -1.57 0.00 0.00 175.55 175.30 1dm8 s GLN 478 N -3.27 0.46 0.65 -0.62 -2.07 -1.26 -0.43 119.66 113.12 1dm8 s GLN 478 Ca 0.53 -0.88 -0.17 0.00 -1.82 0.00 0.00 55.36 53.02 1dm8 s GLN 478 Cb -0.10 0.11 -0.01 0.00 -1.09 0.00 0.00 33.01 31.92 1dm8 s GLN 478 CO 0.22 -0.06 1.23 -2.14 -1.32 0.00 0.00 175.29 173.22 1dm8 s PRO 479 N -2.47 2.62 0.38 9.60 0.02 -1.26 -4.96 135.00 138.93 1dm8 s PRO 479 Ca -0.06 1.86 -0.27 0.00 0.02 0.00 0.00 61.00 62.55 1dm8 s PRO 479 Cb -0.03 -1.88 -0.09 0.00 0.02 0.00 0.00 34.50 32.52 1dm8 s PRO 479 CO -0.04 -1.49 1.29 -0.51 -0.33 0.00 0.00 177.00 175.92 1dm8 s ASP 480 N -1.69 6.48 0.41 2.53 1.01 -1.26 -4.92 116.67 119.24 1dm8 s ASP 480 Ca 0.78 2.64 0.29 0.00 0.71 0.00 0.00 52.55 56.97 1dm8 s ASP 480 Cb -0.32 -2.64 1.24 0.00 1.01 0.00 0.00 42.92 42.21 1dm8 s ASP 480 CO 0.38 -0.73 1.87 1.55 0.21 0.00 0.00 175.17 178.45 1dm8 h PRO 481 N 2.91 0.00 -0.02 8.23 0.13 -1.94 -3.52 132.00 137.79 1dm8 h PRO 481 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1dm8 h PRO 481 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1dm8 h PRO 481 CO 0.63 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.73