#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d3i n ASP 3 N 0.00 0.40 -0.12 0.00 8.00 -1.26 -2.00 116.55 121.57 3d3i n ASP 3 Ca 0.00 0.61 0.15 0.00 0.71 0.00 0.00 54.79 56.26 3d3i n ASP 3 Cb 0.00 -0.69 0.77 0.00 -0.02 0.00 0.00 41.12 41.17 3d3i n ASP 3 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3d3i n ASN 4 N -1.96 0.40 -3.41 -2.24 3.02 -1.26 -4.32 115.26 105.48 3d3i n ASN 4 Ca 0.02 -0.89 -0.26 0.00 -0.03 0.00 0.00 54.58 53.42 3d3i n ASN 4 Cb 0.18 -0.05 -0.09 0.00 -0.61 0.00 0.00 39.78 39.21 3d3i n ASN 4 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3d3i n TYR 5 N -0.80 1.44 -3.21 3.10 4.01 -0.85 -5.10 117.16 115.75 3d3i n TYR 5 Ca 0.20 -3.83 -0.39 0.00 -0.16 0.00 0.00 57.90 53.71 3d3i n TYR 5 Cb 0.21 -0.36 -0.06 0.00 -0.31 0.00 0.00 39.34 38.82 3d3i n TYR 5 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 3d3i s LYS 6 N -1.45 4.28 -1.40 -0.72 1.02 -1.26 -4.11 119.74 116.11 3d3i s LYS 6 Ca 0.35 0.80 -0.01 0.00 0.02 0.00 0.00 55.97 57.12 3d3i s LYS 6 Cb 0.11 -3.27 0.01 0.00 -0.52 0.00 0.00 37.83 34.15 3d3i s LYS 6 CO -0.10 0.55 0.52 0.09 -0.92 0.00 0.00 175.35 175.49 3d3i n ASN 7 N 2.00 -0.76 -0.27 2.83 3.02 0.22 -4.87 115.26 117.44 3d3i n ASN 7 Ca -0.09 -0.95 -0.04 0.00 -0.03 0.00 0.00 54.58 53.47 3d3i n ASN 7 Cb 0.51 -3.32 0.12 0.00 -0.61 0.00 0.00 39.78 36.47 3d3i n ASN 7 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3d3i h VAL 8 N -1.84 1.25 -4.30 2.41 2.07 -1.82 -3.41 116.25 110.61 3d3i h VAL 8 Ca -0.62 -0.71 -0.61 0.00 0.82 0.00 0.00 66.70 65.57 3d3i h VAL 8 Cb 1.37 0.26 -0.30 0.00 -1.52 0.00 0.00 31.29 31.10 3d3i h VAL 8 CO 0.62 0.30 -0.86 -0.63 0.02 0.00 0.00 177.57 177.02 3d3i s ILE 9 N -5.62 1.68 -0.34 4.57 1.01 -1.26 -4.34 121.20 116.90 3d3i s ILE 9 Ca -0.12 -0.89 -0.29 0.00 0.00 0.00 0.00 60.65 59.35 3d3i s ILE 9 Cb 0.16 -1.41 -0.01 0.00 0.01 0.00 0.00 42.46 41.22 3d3i s ILE 9 CO 0.82 0.48 1.66 0.21 0.00 0.00 0.00 174.94 178.11 3d3i s ASN 10 N -0.36 6.08 -0.22 3.58 3.84 0.34 -4.85 114.94 123.35 3d3i s ASN 10 Ca 0.05 1.21 0.15 0.00 0.21 0.00 0.00 52.86 54.47 3d3i s ASN 10 Cb -0.09 -2.53 0.58 0.00 -0.55 0.00 0.00 41.25 38.65 3d3i s ASN 10 CO 0.00 -1.57 1.50 0.54 -2.79 0.00 0.00 177.10 174.78 3d3i n ARG 11 N 8.23 3.02 -2.89 0.43 1.74 -1.26 -4.34 116.66 121.59 3d3i n ARG 11 Ca 0.21 -2.95 -0.29 0.00 -0.77 0.00 0.00 57.85 54.05 3d3i n ARG 11 Cb 0.47 -1.92 -0.02 0.00 -1.02 0.00 0.00 32.46 29.97 3d3i n ARG 11 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3d3i s THR 12 N -2.91 4.89 0.00 0.55 -4.23 -1.26 -0.29 115.64 112.39 3d3i s THR 12 Ca 0.45 0.30 0.00 0.00 -1.18 0.00 0.00 61.69 61.26 3d3i s THR 12 Cb 0.37 -3.79 0.00 0.00 1.34 0.00 0.00 72.50 70.42 3d3i s THR 12 CO 0.09 -0.61 0.00 0.61 -0.54 0.00 0.00 174.62 174.17 3d3i n GLY 13 N -1.61 3.67 2.59 3.99 0.00 -1.02 -4.73 105.19 108.08 3d3i n GLY 13 Ca 0.01 -0.62 -0.28 0.00 0.00 0.00 0.00 46.02 45.13 3d3i n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d3i s ALA 14 N -2.00 2.27 0.33 4.61 0.00 -1.26 -4.51 121.76 121.20 3d3i s ALA 14 Ca 0.00 -2.93 -0.28 0.00 0.00 0.00 0.00 51.96 48.75 3d3i s ALA 14 Cb 0.00 -1.81 -0.13 0.00 0.00 0.00 0.00 23.12 21.19 3d3i s ALA 14 CO 0.00 -2.02 1.26 -2.30 0.00 0.00 0.00 175.76 172.69 3d3i n PRO 15 N 2.60 2.03 -0.00 0.00 -0.02 -1.26 -4.92 135.00 133.43 3d3i n PRO 15 Ca 0.25 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 3d3i n PRO 15 Cb 0.42 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 3d3i n PRO 15 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3d3i n GLN 16 N 0.60 -0.75 0.00 -0.52 1.13 -1.26 -4.13 117.38 112.44 3d3i n GLN 16 Ca 0.05 -0.57 0.00 0.00 -1.94 0.00 0.00 57.00 54.54 3d3i n GLN 16 Cb 0.35 -1.01 0.00 0.00 0.11 0.00 0.00 30.24 29.70 3d3i n GLN 16 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3d3i n TYR 17 N -0.01 0.00 0.00 1.08 4.01 -1.26 -4.31 117.16 116.67 3d3i n TYR 17 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3d3i n TYR 17 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 3d3i n TYR 17 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3d3i n LYS 19 N 0.00 0.00 -3.29 -0.72 5.02 -0.29 -4.60 118.16 114.28 3d3i n LYS 19 Ca 0.00 0.00 -0.45 0.00 -2.02 0.00 0.00 58.31 55.84 3d3i n LYS 19 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3d3i n LYS 19 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3d3i s ASP 20 N 0.00 7.28 0.46 4.39 -1.08 -1.26 -1.63 116.67 124.83 3d3i s ASP 20 Ca 0.00 -3.51 -0.04 0.00 -0.52 0.00 0.00 52.55 48.48 3d3i s ASP 20 Cb 0.00 -2.23 -0.04 0.00 -1.46 0.00 0.00 42.92 39.19 3d3i s ASP 20 CO 0.00 -0.35 0.74 -0.31 0.52 0.00 0.00 175.17 175.77 3d3i s TYR 21 N -0.90 3.55 0.06 -5.34 2.02 -0.76 -0.99 117.35 114.98 3d3i s TYR 21 Ca 0.32 0.72 0.00 0.00 -0.37 0.00 0.00 57.07 57.74 3d3i s TYR 21 Cb -0.09 -2.23 0.01 0.00 -0.40 0.00 0.00 41.96 39.25 3d3i s TYR 21 CO -0.07 -0.21 0.08 -0.40 -1.57 0.00 0.00 175.55 173.38 3d3i n ASP 22 N -2.17 0.11 0.32 2.29 5.68 0.72 0.05 116.55 123.55 3d3i n ASP 22 Ca -0.00 -1.09 0.21 0.00 -0.50 0.00 0.00 54.79 53.40 3d3i n ASP 22 Cb 0.55 -0.05 1.08 0.00 -1.14 0.00 0.00 41.12 41.57 3d3i n ASP 22 CO 0.00 0.00 0.00 1.88 -1.33 0.00 0.00 177.20 177.75 3d3i h TYR 23 N -0.37 0.00 -0.45 2.11 0.05 -1.92 -2.41 116.97 113.97 3d3i h TYR 23 Ca -0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.75 3d3i h TYR 23 Cb 0.10 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.84 3d3i h TYR 23 CO 0.00 0.01 0.00 -0.25 -1.05 0.00 0.00 178.16 176.87 3d3i n ASP 24 N -3.15 4.59 -0.32 3.88 8.00 -1.26 -4.96 116.55 123.32 3d3i n ASP 24 Ca -0.02 -2.77 -0.04 0.00 0.71 0.00 0.00 54.79 52.66 3d3i n ASP 24 Cb 0.12 -0.57 -0.02 0.00 -0.02 0.00 0.00 41.12 40.64 3d3i n ASP 24 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3d3i n ASP 25 N 0.31 -3.74 -4.91 -2.24 8.00 -0.91 -4.85 116.55 108.20 3d3i n ASP 25 Ca 0.24 0.10 -0.30 0.00 0.71 0.00 0.00 54.79 55.54 3d3i n ASP 25 Cb 0.95 -1.61 -0.04 0.00 -0.02 0.00 0.00 41.12 40.39 3d3i n ASP 25 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3d3i s HIS 26 N -2.08 3.49 0.14 1.24 3.76 -1.26 -4.10 115.29 116.48 3d3i s HIS 26 Ca 0.00 0.40 -0.31 0.00 -0.15 0.00 0.00 55.06 55.00 3d3i s HIS 26 Cb 0.00 -1.89 -0.10 0.00 1.11 0.00 0.00 32.58 31.70 3d3i s HIS 26 CO 0.00 0.46 1.67 -0.65 -0.85 0.00 0.00 174.74 175.36 3d3i s GLN 27 N -2.85 4.18 0.00 1.40 -1.52 -0.61 -0.20 119.66 120.06 3d3i s GLN 27 Ca 0.39 2.44 0.06 0.00 -1.95 0.00 0.00 55.36 56.30 3d3i s GLN 27 Cb -0.12 -3.33 0.38 0.00 -0.22 0.00 0.00 33.01 29.72 3d3i s GLN 27 CO 0.27 -0.71 1.11 2.89 -0.25 0.00 0.00 175.29 178.60 3d3i n ARG 28 N 4.70 0.85 -4.44 2.91 1.85 -0.16 -4.79 116.66 117.57 3d3i n ARG 28 Ca 0.15 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.78 3d3i n ARG 28 Cb 0.38 -1.12 -0.10 0.00 -1.05 0.00 0.00 32.46 30.57 3d3i n ARG 28 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3d3i s PHE 29 N -2.00 2.07 -0.69 2.89 0.08 -1.26 -5.01 117.98 114.06 3d3i s PHE 29 Ca 0.10 -0.55 0.05 0.00 0.12 0.00 0.00 56.93 56.65 3d3i s PHE 29 Cb 0.04 -1.08 0.18 0.00 -0.57 0.00 0.00 43.02 41.59 3d3i s PHE 29 CO 0.07 0.46 0.51 0.09 -0.10 0.00 0.00 175.22 176.26 3d3i n ASN 30 N -0.59 2.96 -4.73 1.36 3.02 -1.26 -4.97 115.26 111.04 3d3i n ASN 30 Ca -0.06 -3.20 -0.36 0.00 -0.03 0.00 0.00 54.58 50.93 3d3i n ASN 30 Cb 0.62 -0.74 0.07 0.00 -0.61 0.00 0.00 39.78 39.12 3d3i n ASN 30 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 3d3i s PRO 31 N -1.51 2.48 -0.22 3.52 0.02 -1.26 -4.52 135.00 133.51 3d3i s PRO 31 Ca 0.27 1.87 -0.22 0.00 0.02 0.00 0.00 61.00 62.94 3d3i s PRO 31 Cb -0.02 -1.86 -0.02 0.00 0.02 0.00 0.00 34.50 32.62 3d3i s PRO 31 CO -0.16 -1.60 0.69 0.12 -0.33 0.00 0.00 177.00 175.72 3d3i s PHE 32 N -1.70 3.34 0.05 6.54 5.36 0.15 -4.77 117.98 126.94 3d3i s PHE 32 Ca 0.78 0.96 0.07 0.00 -0.96 0.00 0.00 56.93 57.78 3d3i s PHE 32 Cb -0.32 -2.88 -0.03 0.00 -0.34 0.00 0.00 43.02 39.45 3d3i s PHE 32 CO 0.40 -0.27 -0.20 -0.06 -1.46 0.00 0.00 175.22 173.63 3d3i s PHE 33 N 2.30 1.74 0.19 10.12 0.08 -1.26 -1.96 117.98 129.19 3d3i s PHE 33 Ca 0.30 -0.38 -0.20 0.00 0.12 0.00 0.00 56.93 56.77 3d3i s PHE 33 Cb -0.16 -1.02 0.05 0.00 -0.57 0.00 0.00 43.02 41.32 3d3i s PHE 33 CO 0.09 0.11 0.58 0.34 -0.10 0.00 0.00 175.22 176.24 3d3i s ASP 34 N -1.30 -0.40 -1.51 1.36 2.15 -1.26 -4.26 116.67 111.45 3d3i s ASP 34 Ca 0.07 -0.27 0.00 0.00 0.43 0.00 0.00 52.55 52.78 3d3i s ASP 34 Cb -0.09 0.60 0.00 0.00 -0.30 0.00 0.00 42.92 43.13 3d3i s ASP 34 CO 0.02 -1.04 0.00 -0.11 -0.17 0.00 0.00 175.17 173.87 3d3i n LEU 35 N -0.37 -0.74 -0.28 -1.34 7.94 -1.26 -1.71 117.00 119.24 3d3i n LEU 35 Ca -0.13 0.35 -0.04 0.00 -1.11 0.00 0.00 56.01 55.09 3d3i n LEU 35 Cb 0.63 -2.70 -0.02 0.00 0.53 0.00 0.00 43.42 41.86 3d3i n LEU 35 CO 0.14 -1.04 -0.03 0.61 -1.11 0.00 0.00 177.39 175.96 3d3i n GLY 36 N -0.04 0.66 3.68 -3.96 0.00 -1.24 -4.18 105.19 100.11 3d3i n GLY 36 Ca -0.14 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 3d3i n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d3i s ALA 37 N -2.08 1.28 -0.28 4.61 0.00 -0.69 -0.46 121.76 124.14 3d3i s ALA 37 Ca 0.00 0.07 0.11 0.00 0.00 0.00 0.00 51.96 52.14 3d3i s ALA 37 Cb 0.00 -3.25 0.58 0.00 0.00 0.00 0.00 23.12 20.45 3d3i s ALA 37 CO 0.00 -2.60 1.57 0.91 0.00 0.00 0.00 175.76 175.64 3d3i n TRP 38 N -4.07 1.53 -3.76 0.00 7.02 -1.25 -4.80 117.44 112.11 3d3i n TRP 38 Ca 0.07 -1.31 -0.12 0.00 -1.02 0.00 0.00 57.50 55.12 3d3i n TRP 38 Cb 0.54 -0.52 -0.08 0.00 -2.42 0.00 0.00 31.31 28.83 3d3i n TRP 38 CO 0.00 0.00 0.00 -3.38 -2.02 0.00 0.00 177.69 172.29 3d3i s HIS 39 N -3.07 -0.14 0.18 -5.99 -3.43 -1.26 -1.18 115.29 100.40 3d3i s HIS 39 Ca 0.47 0.12 0.01 0.00 -0.80 0.00 0.00 55.06 54.86 3d3i s HIS 39 Cb 0.40 0.09 -0.05 0.00 -1.43 0.00 0.00 32.58 31.59 3d3i s HIS 39 CO 0.07 -0.44 0.02 0.20 -2.00 0.00 0.00 174.74 172.60 3d3i s GLY 40 N -1.66 1.24 0.13 -1.38 0.00 0.17 -4.71 107.32 101.11 3d3i s GLY 40 Ca -0.10 -1.60 0.06 0.00 0.00 0.00 0.00 44.72 43.08 3d3i s GLY 40 CO 0.01 -1.51 -0.14 0.30 0.00 0.00 0.00 173.10 171.77 3d3i s HIS 41 N -3.74 1.39 0.34 1.90 3.76 -0.83 -1.31 115.29 116.80 3d3i s HIS 41 Ca 0.26 -0.57 0.09 0.00 -0.15 0.00 0.00 55.06 54.69 3d3i s HIS 41 Cb 0.07 -0.72 -0.06 0.00 1.11 0.00 0.00 32.58 32.97 3d3i s HIS 41 CO 0.05 0.14 -0.04 -0.51 -0.85 0.00 0.00 174.74 173.53 3d3i s LEU 42 N -2.54 2.86 0.21 0.89 1.43 -0.73 0.30 118.68 121.12 3d3i s LEU 42 Ca 0.10 -1.09 -0.08 0.00 -1.03 0.00 0.00 54.13 52.03 3d3i s LEU 42 Cb -0.04 -1.18 -0.07 0.00 0.03 0.00 0.00 46.19 44.93 3d3i s LEU 42 CO 0.03 -0.23 0.50 -0.76 0.23 0.00 0.00 176.35 176.13 3d3i s LEU 43 N -3.67 4.18 0.38 1.79 1.43 0.60 -3.37 118.68 120.02 3d3i s LEU 43 Ca 0.34 0.81 -0.26 0.00 -1.03 0.00 0.00 54.13 53.98 3d3i s LEU 43 Cb 0.01 -3.57 -0.09 0.00 0.03 0.00 0.00 46.19 42.57 3d3i s LEU 43 CO 0.18 -0.06 1.24 -2.16 0.23 0.00 0.00 176.35 175.78 3d3i s PRO 44 N -2.86 4.10 0.01 1.29 0.04 -1.26 -2.42 135.00 133.90 3d3i s PRO 44 Ca 0.45 2.02 0.23 0.00 0.04 0.00 0.00 61.00 63.74 3d3i s PRO 44 Cb -0.11 -2.80 0.13 0.00 0.04 0.00 0.00 34.50 31.75 3d3i s PRO 44 CO 0.23 -0.33 1.14 -0.40 0.04 0.00 0.00 177.00 177.68 3d3i n ASP 45 N 0.28 0.72 0.00 6.66 5.68 -1.26 -4.77 116.55 123.85 3d3i n ASP 45 Ca 0.03 -0.55 0.00 0.00 -0.50 0.00 0.00 54.79 53.77 3d3i n ASP 45 Cb 0.44 0.65 0.00 0.00 -1.14 0.00 0.00 41.12 41.08 3d3i n ASP 45 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3d3i n GLY 46 N 1.48 -0.76 0.44 6.12 0.00 -1.26 -4.99 105.19 106.22 3d3i n GLY 46 Ca 0.04 -0.84 0.26 0.00 0.00 0.00 0.00 46.02 45.49 3d3i n GLY 46 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3d3i h PRO 47 N 0.00 0.02 0.00 1.61 0.11 -1.98 -1.84 132.00 129.92 3d3i h PRO 47 Ca 0.00 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.03 3d3i h PRO 47 Cb 0.00 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 3d3i h PRO 47 CO 0.00 0.01 -0.38 -0.91 -0.21 0.00 0.00 178.00 176.51 3d3i h ASN 48 N 0.02 0.00 -3.97 -2.05 -0.26 -2.01 -3.48 115.58 103.83 3d3i h ASN 48 Ca 0.39 0.00 -0.65 0.00 -0.56 0.00 0.00 56.30 55.48 3d3i h ASN 48 Cb 1.53 0.00 -0.40 0.00 -1.06 0.00 0.00 38.32 38.39 3d3i h ASN 48 CO -0.01 0.38 -0.67 0.42 -1.06 0.00 0.00 177.43 176.49 3d3i s THR 49 N -3.79 2.48 0.00 2.81 -4.23 -0.69 -5.00 115.64 107.22 3d3i s THR 49 Ca -0.01 -2.74 0.00 0.00 -1.18 0.00 0.00 61.69 57.76 3d3i s THR 49 Cb 0.12 -2.77 0.00 0.00 1.34 0.00 0.00 72.50 71.19 3d3i s THR 49 CO 0.69 -0.69 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 3d3i n GLY 51 N 3.79 0.00 3.65 3.99 0.00 -1.26 -4.64 105.19 110.71 3d3i n GLY 51 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 3d3i n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3d3i s GLY 52 N -1.68 0.36 -0.53 -0.02 0.00 -1.26 -0.72 107.32 103.47 3d3i s GLY 52 Ca 0.00 -0.71 -0.08 0.00 0.00 0.00 0.00 44.72 43.92 3d3i s GLY 52 CO 0.00 -0.48 0.40 -1.36 0.00 0.00 0.00 173.10 171.65 3d3i s PHE 53 N -3.99 3.47 1.11 1.90 0.08 -1.26 -4.16 117.98 115.13 3d3i s PHE 53 Ca 0.19 -2.05 -0.15 0.00 0.12 0.00 0.00 56.93 55.04 3d3i s PHE 53 Cb -0.02 -3.47 0.24 0.00 -0.57 0.00 0.00 43.02 39.20 3d3i s PHE 53 CO 0.08 -0.97 1.09 -1.25 -0.10 0.00 0.00 175.22 174.07 3d3i s PRO 54 N 1.00 -0.49 -0.82 0.24 0.04 -1.22 -4.55 135.00 129.20 3d3i s PRO 54 Ca 0.09 0.29 -0.03 0.00 0.04 0.00 0.00 61.00 61.39 3d3i s PRO 54 Cb -0.23 -1.65 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 3d3i s PRO 54 CO -0.02 -3.30 0.71 0.41 0.04 0.00 0.00 177.00 174.84 3d3i n GLY 55 N -0.79 -0.45 3.65 0.56 0.00 -0.15 -1.77 105.19 106.24 3d3i n GLY 55 Ca 0.08 0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 3d3i n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d3i s VAL 56 N -3.28 3.13 -0.26 1.61 1.01 -1.03 -4.22 120.40 117.36 3d3i s VAL 56 Ca 0.21 0.15 -0.09 0.00 0.00 0.00 0.00 61.98 62.26 3d3i s VAL 56 Cb -0.03 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 3d3i s VAL 56 CO 0.55 -0.03 0.12 0.00 0.00 0.00 0.00 175.10 175.74 3d3i s ALA 57 N 5.25 3.33 -0.18 5.51 0.00 -0.43 -4.03 121.76 131.21 3d3i s ALA 57 Ca 0.88 -1.10 -0.07 0.00 0.00 0.00 0.00 51.96 51.66 3d3i s ALA 57 Cb -0.38 -2.26 -0.04 0.00 0.00 0.00 0.00 23.12 20.44 3d3i s ALA 57 CO 0.38 -0.50 0.06 -0.51 0.00 0.00 0.00 175.76 175.19 3d3i s LEU 58 N 1.65 3.84 -0.73 0.00 1.43 0.19 -0.65 118.68 124.41 3d3i s LEU 58 Ca 0.07 0.10 -0.18 0.00 -1.03 0.00 0.00 54.13 53.08 3d3i s LEU 58 Cb -0.15 -1.97 0.13 0.00 0.03 0.00 0.00 46.19 44.23 3d3i s LEU 58 CO 0.07 0.19 0.86 -0.76 0.23 0.00 0.00 176.35 176.94 3d3i s LEU 59 N 0.29 5.41 -1.29 1.79 1.43 -0.33 -0.90 118.68 125.09 3d3i s LEU 59 Ca 0.04 -1.76 -0.16 0.00 -1.03 0.00 0.00 54.13 51.22 3d3i s LEU 59 Cb -0.12 -2.33 0.11 0.00 0.03 0.00 0.00 46.19 43.88 3d3i s LEU 59 CO 0.00 -1.05 1.71 0.35 0.23 0.00 0.00 176.35 177.59 3d3i n THR 60 N 5.32 4.02 0.00 5.49 -2.24 0.36 -4.75 114.28 122.48 3d3i n THR 60 Ca 0.04 -4.21 0.00 0.00 -2.27 0.00 0.00 64.05 57.61 3d3i n THR 60 Cb 0.45 -2.42 0.00 0.00 -2.10 0.00 0.00 70.33 66.27 3d3i n THR 60 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3d3i n GLU 61 N 6.95 0.00 0.00 -0.78 1.02 -1.25 -3.10 120.64 123.48 3d3i n GLU 61 Ca 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 3d3i n GLU 61 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.85 3d3i n GLU 61 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3d3i n GLU 62 N 0.00 0.07 -4.09 3.49 1.02 -1.26 -3.30 120.64 116.57 3d3i n GLU 62 Ca 0.00 -0.29 -0.07 0.00 -0.02 0.00 0.00 57.16 56.78 3d3i n GLU 62 Cb 0.00 -0.57 -0.10 0.00 -0.02 0.00 0.00 31.44 30.75 3d3i n GLU 62 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3d3i s TYR 63 N -0.05 0.54 -0.20 -0.32 2.02 -1.18 -3.69 117.35 114.46 3d3i s TYR 63 Ca 0.00 -1.04 -0.06 0.00 -0.37 0.00 0.00 57.07 55.60 3d3i s TYR 63 Cb 0.00 -0.39 -0.03 0.00 -0.40 0.00 0.00 41.96 41.13 3d3i s TYR 63 CO 0.00 -0.36 0.04 -1.50 -1.57 0.00 0.00 175.55 172.16 3d3i s ILE 64 N -3.81 4.38 -0.03 2.71 2.07 -1.26 -0.49 121.20 124.77 3d3i s ILE 64 Ca 0.07 -0.17 0.01 0.00 -1.41 0.00 0.00 60.65 59.14 3d3i s ILE 64 Cb 0.07 -2.99 0.02 0.00 0.13 0.00 0.00 42.46 39.70 3d3i s ILE 64 CO -0.09 0.42 -0.01 0.20 -1.91 0.00 0.00 174.94 173.55 3d3i s ASN 65 N 0.83 0.49 1.06 4.50 0.01 -0.08 -4.95 114.94 116.81 3d3i s ASN 65 Ca 0.02 -0.05 -0.12 0.00 -0.71 0.00 0.00 52.86 52.01 3d3i s ASN 65 Cb -0.14 -0.24 0.16 0.00 0.41 0.00 0.00 41.25 41.45 3d3i s ASN 65 CO 0.02 -0.07 0.81 0.49 -1.51 0.00 0.00 177.10 176.84 3d3i n PHE 66 N 3.96 -3.85 -1.64 2.20 3.72 -1.26 -0.64 117.46 119.96 3d3i n PHE 66 Ca -0.25 -0.72 -0.31 0.00 -0.05 0.00 0.00 57.45 56.13 3d3i n PHE 66 Cb 0.51 -0.69 0.06 0.00 -0.94 0.00 0.00 39.48 38.42 3d3i n PHE 66 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3d3i s ALA 68 N -3.63 2.63 0.00 4.37 0.00 -1.26 -4.86 121.76 119.02 3d3i s ALA 68 Ca 0.48 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.37 3d3i s ALA 68 Cb -0.02 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.97 3d3i s ALA 68 CO 0.35 -1.29 0.00 0.45 0.00 0.00 0.00 175.76 175.27 3d3i n SER 69 N -3.16 0.00 -4.70 0.00 2.88 -1.26 -2.46 113.62 104.92 3d3i n SER 69 Ca 0.07 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.20 3d3i n SER 69 Cb 0.55 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.97 3d3i n SER 69 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 3d3i s ASN 70 N -1.00 7.20 -0.25 -3.46 0.02 -1.26 -0.97 114.94 115.22 3d3i s ASN 70 Ca 0.00 1.46 -0.03 0.00 -1.02 0.00 0.00 52.86 53.26 3d3i s ASN 70 Cb 0.00 -2.51 0.14 0.00 0.02 0.00 0.00 41.25 38.89 3d3i s ASN 70 CO 0.00 -0.26 0.42 0.12 0.02 0.00 0.00 177.10 177.41 3d3i s PHE 71 N 1.20 -0.95 -0.60 2.20 5.36 -1.26 -1.83 117.98 122.10 3d3i s PHE 71 Ca 0.46 1.11 -0.03 0.00 -0.96 0.00 0.00 56.93 57.51 3d3i s PHE 71 Cb -0.19 0.16 0.00 0.00 -0.34 0.00 0.00 43.02 42.66 3d3i s PHE 71 CO 0.22 -0.70 0.37 -3.47 -1.46 0.00 0.00 175.22 170.17 3d3i n ASP 72 N 5.38 -3.61 -4.72 6.13 2.03 0.32 -4.74 116.55 117.34 3d3i n ASP 72 Ca -0.04 -0.17 -0.41 0.00 0.52 0.00 0.00 54.79 54.69 3d3i n ASP 72 Cb 0.50 -2.35 -0.04 0.00 -0.72 0.00 0.00 41.12 38.51 3d3i n ASP 72 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 3d3i s ARG 73 N -5.27 4.61 -0.07 -0.67 3.52 -0.17 -4.74 118.95 116.16 3d3i s ARG 73 Ca 0.18 1.39 -0.13 0.00 -0.13 0.00 0.00 55.73 57.04 3d3i s ARG 73 Cb -0.08 -3.42 -0.05 0.00 -1.56 0.00 0.00 34.95 29.84 3d3i s ARG 73 CO 0.23 0.09 0.33 -1.17 -0.81 0.00 0.00 175.30 173.97 3d3i s LEU 74 N 0.50 4.38 0.04 -0.88 2.96 0.10 -1.21 118.68 124.57 3d3i s LEU 74 Ca 0.48 0.74 0.04 0.00 -0.22 0.00 0.00 54.13 55.18 3d3i s LEU 74 Cb -0.22 -2.44 -0.02 0.00 0.50 0.00 0.00 46.19 44.01 3d3i s LEU 74 CO 0.28 0.25 -0.13 0.42 -1.32 0.00 0.00 176.35 175.86 3d3i s THR 75 N -0.52 1.00 -0.07 3.68 -4.23 -0.02 -4.45 115.64 111.04 3d3i s THR 75 Ca 0.20 -0.97 0.03 0.00 -1.18 0.00 0.00 61.69 59.77 3d3i s THR 75 Cb -0.15 -0.92 -0.02 0.00 1.34 0.00 0.00 72.50 72.75 3d3i s THR 75 CO 0.09 -0.04 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.28 3d3i s VAL 76 N -0.88 2.90 0.06 2.29 1.01 -1.26 -1.88 120.40 122.64 3d3i s VAL 76 Ca 0.00 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.28 3d3i s VAL 76 Cb -0.08 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 3d3i s VAL 76 CO 0.01 0.57 -0.16 0.26 0.00 0.00 0.00 175.10 175.78 3d3i s TRP 77 N -0.38 1.42 -0.08 5.22 0.52 0.06 0.06 118.94 125.76 3d3i s TRP 77 Ca 0.04 -0.39 -0.03 0.00 0.02 0.00 0.00 56.10 55.74 3d3i s TRP 77 Cb -0.12 -0.82 0.04 0.00 -1.15 0.00 0.00 33.47 31.42 3d3i s TRP 77 CO 0.02 0.08 0.15 1.14 0.02 0.00 0.00 176.95 178.36 3d3i s GLN 78 N -1.38 0.04 -1.45 4.98 1.03 -0.28 -0.76 119.66 121.85 3d3i s GLN 78 Ca 0.03 0.51 -0.08 0.00 0.04 0.00 0.00 55.36 55.86 3d3i s GLN 78 Cb -0.09 -0.26 0.02 0.00 0.03 0.00 0.00 33.01 32.71 3d3i s GLN 78 CO 0.02 -0.28 0.93 -3.47 -2.54 0.00 0.00 175.29 169.95 3d3i n ASP 79 N 5.08 -5.98 0.00 12.60 2.03 -1.26 -1.62 116.55 127.39 3d3i n ASP 79 Ca -0.09 -0.47 0.00 0.00 0.52 0.00 0.00 54.79 54.74 3d3i n ASP 79 Cb 0.50 -4.77 0.00 0.00 -0.72 0.00 0.00 41.12 36.14 3d3i n ASP 79 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3d3i n GLY 80 N -1.76 1.25 3.57 0.27 0.00 -1.26 -4.99 105.19 102.26 3d3i n GLY 80 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 3d3i n GLY 80 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3d3i s LYS 81 N -0.14 3.53 0.18 1.61 2.20 -0.64 -5.09 119.74 121.39 3d3i s LYS 81 Ca 0.00 -0.46 -0.30 0.00 -0.36 0.00 0.00 55.97 54.85 3d3i s LYS 81 Cb 0.00 -2.93 -0.08 0.00 -1.51 0.00 0.00 37.83 33.31 3d3i s LYS 81 CO 0.00 0.38 1.24 0.21 -0.36 0.00 0.00 175.35 176.82 3d3i s LYS 82 N 0.02 4.45 0.12 4.03 2.20 -1.26 -1.12 119.74 128.17 3d3i s LYS 82 Ca 0.02 1.94 -0.31 0.00 -0.36 0.00 0.00 55.97 57.26 3d3i s LYS 82 Cb -0.13 -3.23 -0.07 0.00 -1.51 0.00 0.00 37.83 32.89 3d3i s LYS 82 CO 0.02 -0.16 1.26 0.08 -0.36 0.00 0.00 175.35 176.19 3d3i s VAL 83 N 0.08 3.66 -0.38 4.02 1.01 0.11 -4.93 120.40 123.97 3d3i s VAL 83 Ca 0.55 1.24 -0.19 0.00 0.00 0.00 0.00 61.98 63.58 3d3i s VAL 83 Cb -0.34 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.25 3d3i s VAL 83 CO 0.37 0.13 0.58 -0.62 0.00 0.00 0.00 175.10 175.55 3d3i s ASP 84 N 0.80 6.34 0.22 3.32 2.15 -1.26 -4.74 116.67 123.50 3d3i s ASP 84 Ca 0.59 -0.10 0.07 0.00 0.43 0.00 0.00 52.55 53.54 3d3i s ASP 84 Cb -0.33 -2.30 -0.04 0.00 -0.30 0.00 0.00 42.92 39.96 3d3i s ASP 84 CO 0.32 -0.60 0.12 -0.36 -0.17 0.00 0.00 175.17 174.48 3d3i s PHE 85 N 2.58 3.01 0.03 -5.34 0.08 -1.26 -4.59 117.98 112.49 3d3i s PHE 85 Ca 0.21 -0.11 0.04 0.00 0.12 0.00 0.00 56.93 57.19 3d3i s PHE 85 Cb -0.15 -1.40 -0.04 0.00 -0.57 0.00 0.00 43.02 40.87 3d3i s PHE 85 CO 0.15 0.54 -0.04 0.95 -0.10 0.00 0.00 175.22 176.71 3d3i s THR 86 N -1.99 3.79 -0.01 0.64 -4.23 -0.55 -4.87 115.64 108.42 3d3i s THR 86 Ca 0.31 -0.83 0.01 0.00 -1.18 0.00 0.00 61.69 60.00 3d3i s THR 86 Cb -0.08 -2.70 -0.04 0.00 1.34 0.00 0.00 72.50 71.02 3d3i s THR 86 CO 0.23 0.31 0.01 -0.22 -0.54 0.00 0.00 174.62 174.41 3d3i s LEU 87 N -1.69 3.58 -0.04 4.79 2.96 -1.26 -1.58 118.68 125.43 3d3i s LEU 87 Ca 0.20 0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 54.13 3d3i s LEU 87 Cb -0.11 -2.03 0.03 0.00 0.50 0.00 0.00 46.19 44.58 3d3i s LEU 87 CO 0.11 0.29 0.03 -0.70 -1.32 0.00 0.00 176.35 174.76 3d3i s GLU 88 N -1.50 0.12 -0.10 1.98 2.12 -0.78 -5.00 118.70 115.54 3d3i s GLU 88 Ca 0.19 0.23 -0.08 0.00 0.36 0.00 0.00 54.97 55.67 3d3i s GLU 88 Cb -0.12 -0.52 0.03 0.00 0.26 0.00 0.00 34.13 33.78 3d3i s GLU 88 CO 0.10 -0.25 0.25 0.00 -0.54 0.00 0.00 175.26 174.82 3d3i s ALA 89 N 1.65 -0.61 0.16 6.30 0.00 -1.26 0.40 121.76 128.40 3d3i s ALA 89 Ca -0.01 0.75 -0.22 0.00 0.00 0.00 0.00 51.96 52.48 3d3i s ALA 89 Cb -0.13 -0.44 0.06 0.00 0.00 0.00 0.00 23.12 22.61 3d3i s ALA 89 CO -0.03 -0.13 0.58 1.52 0.00 0.00 0.00 175.76 177.70 3d3i s TYR 90 N 0.29 -0.46 0.18 0.00 -0.85 0.04 -5.00 117.35 111.54 3d3i s TYR 90 Ca -0.01 0.22 0.07 0.00 -0.52 0.00 0.00 57.07 56.83 3d3i s TYR 90 Cb -0.03 0.52 -0.04 0.00 0.38 0.00 0.00 41.96 42.79 3d3i s TYR 90 CO -0.01 -0.85 0.01 -1.54 -1.52 0.00 0.00 175.55 171.64 3d3i s SER 91 N -2.77 4.82 0.11 -0.18 1.04 -1.26 -1.05 113.70 114.41 3d3i s SER 91 Ca 0.02 -0.38 -0.01 0.00 0.48 0.00 0.00 55.95 56.06 3d3i s SER 91 Cb -0.01 -1.04 -0.04 0.00 0.10 0.00 0.00 66.02 65.03 3d3i s SER 91 CO -0.12 0.08 0.02 0.27 0.98 0.00 0.00 173.24 174.48 3d3i s ILE 92 N -1.75 0.18 -0.10 -1.02 -4.36 -0.45 -0.61 121.20 113.10 3d3i s ILE 92 Ca 0.28 -1.88 -0.31 0.00 -0.26 0.00 0.00 60.65 58.48 3d3i s ILE 92 Cb -0.09 -1.88 -0.08 0.00 1.25 0.00 0.00 42.46 41.65 3d3i s ILE 92 CO 0.19 -0.64 2.05 -2.65 0.24 0.00 0.00 174.94 174.13 3d3i n PRO 93 N -0.04 2.33 -0.34 0.37 -0.02 -1.26 -1.76 135.00 134.29 3d3i n PRO 93 Ca -0.08 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 3d3i n PRO 93 Cb 0.63 -2.98 0.00 0.00 -0.02 0.00 0.00 33.50 31.13 3d3i n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d3i n GLY 94 N 5.05 0.69 3.45 -1.23 0.00 -1.26 -4.93 105.19 106.95 3d3i n GLY 94 Ca 0.25 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.16 3d3i n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d3i s ALA 95 N -2.61 -1.67 -0.03 4.61 0.00 -0.72 -4.60 121.76 116.74 3d3i s ALA 95 Ca 0.00 0.66 0.07 0.00 0.00 0.00 0.00 51.96 52.68 3d3i s ALA 95 Cb 0.00 0.74 -0.01 0.00 0.00 0.00 0.00 23.12 23.84 3d3i s ALA 95 CO 0.00 -0.74 -0.24 -0.51 0.00 0.00 0.00 175.76 174.27 3d3i s LEU 96 N -2.65 2.04 0.00 0.00 1.43 -0.68 -1.34 118.68 117.49 3d3i s LEU 96 Ca 0.02 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.67 3d3i s LEU 96 Cb -0.01 -1.27 -0.00 0.00 0.03 0.00 0.00 46.19 44.94 3d3i s LEU 96 CO -0.12 0.27 -0.03 -0.69 0.23 0.00 0.00 176.35 176.01 3d3i s VAL 97 N -0.38 0.21 -0.06 -1.59 1.01 -0.21 -0.87 120.40 118.52 3d3i s VAL 97 Ca 0.04 -0.22 -0.08 0.00 0.00 0.00 0.00 61.98 61.72 3d3i s VAL 97 Cb -0.11 -0.20 0.02 0.00 0.00 0.00 0.00 36.38 36.08 3d3i s VAL 97 CO 0.01 -0.01 0.20 0.00 0.00 0.00 0.00 175.10 175.30 3d3i s GLN 98 N -0.25 0.33 -0.07 2.72 -2.07 -1.26 -0.78 119.66 118.28 3d3i s GLN 98 Ca -0.01 0.10 0.03 0.00 -1.82 0.00 0.00 55.36 53.66 3d3i s GLN 98 Cb -0.02 0.15 0.01 0.00 -1.09 0.00 0.00 33.01 32.06 3d3i s GLN 98 CO -0.00 -0.06 -0.14 0.15 -1.32 0.00 0.00 175.29 173.92 3d3i s LYS 99 N -0.34 1.80 -0.21 9.60 1.02 0.16 -4.49 119.74 127.29 3d3i s LYS 99 Ca -0.04 -0.47 -0.06 0.00 0.02 0.00 0.00 55.97 55.42 3d3i s LYS 99 Cb -0.03 -1.48 -0.03 0.00 -0.52 0.00 0.00 37.83 35.77 3d3i s LYS 99 CO 0.01 0.06 0.02 -0.51 -0.92 0.00 0.00 175.35 174.01 3d3i s LEU 100 N 0.57 3.31 -0.10 3.17 1.43 0.44 -1.87 118.68 125.62 3d3i s LEU 100 Ca -0.14 -0.20 0.03 0.00 -1.03 0.00 0.00 54.13 52.79 3d3i s LEU 100 Cb -0.15 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.21 3d3i s LEU 100 CO 0.04 0.05 -0.20 -0.89 0.23 0.00 0.00 176.35 175.57 3d3i s THR 101 N 1.11 2.39 0.26 5.49 2.01 -0.61 -0.89 115.64 125.40 3d3i s THR 101 Ca 0.03 -0.91 0.02 0.00 0.31 0.00 0.00 61.69 61.14 3d3i s THR 101 Cb -0.14 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.39 3d3i s THR 101 CO 0.02 0.55 0.17 0.00 -0.69 0.00 0.00 174.62 174.67 3d3i s ALA 102 N 0.27 1.57 0.06 7.40 0.00 -0.31 -1.47 121.76 129.27 3d3i s ALA 102 Ca -0.14 -1.81 -0.35 0.00 0.00 0.00 0.00 51.96 49.65 3d3i s ALA 102 Cb -0.17 1.33 -0.20 0.00 0.00 0.00 0.00 23.12 24.08 3d3i s ALA 102 CO 0.07 -0.58 1.55 -0.22 0.00 0.00 0.00 175.76 176.59 3d3i h LYS 103 N 2.39 -1.12 -0.12 0.00 1.63 -1.99 -3.33 116.57 114.03 3d3i h LYS 103 Ca -0.33 0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.55 3d3i h LYS 103 Cb 1.25 0.26 0.00 0.00 -0.60 0.00 0.00 32.23 33.13 3d3i h LYS 103 CO 0.49 -0.75 0.00 -0.25 -3.45 0.00 0.00 179.45 175.50 3d3i n ASP 104 N -5.58 2.73 -3.82 4.20 8.00 -1.26 -4.95 116.55 115.87 3d3i n ASP 104 Ca -0.15 -1.82 -0.13 0.00 0.71 0.00 0.00 54.79 53.40 3d3i n ASP 104 Cb 0.46 -0.07 -0.15 0.00 -0.02 0.00 0.00 41.12 41.35 3d3i n ASP 104 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3d3i s VAL 105 N -1.46 -0.03 0.03 2.53 1.01 -1.25 -3.23 120.40 118.00 3d3i s VAL 105 Ca 0.25 0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.35 3d3i s VAL 105 Cb 0.16 -0.07 -0.02 0.00 0.00 0.00 0.00 36.38 36.46 3d3i s VAL 105 CO 0.24 0.04 -0.06 -1.10 0.00 0.00 0.00 175.10 174.22 3d3i s GLN 106 N 0.55 0.46 -0.04 2.72 1.11 -0.49 -1.16 119.66 122.80 3d3i s GLN 106 Ca -0.04 -0.66 0.01 0.00 0.01 0.00 0.00 55.36 54.68 3d3i s GLN 106 Cb -0.06 -0.20 0.02 0.00 -1.01 0.00 0.00 33.01 31.75 3d3i s GLN 106 CO -0.02 0.03 -0.06 0.08 0.01 0.00 0.00 175.29 175.33 3d3i s VAL 107 N -1.27 0.63 0.41 1.09 1.01 -0.07 -0.79 120.40 121.42 3d3i s VAL 107 Ca -0.10 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 61.73 3d3i s VAL 107 Cb -0.09 -0.62 -0.06 0.00 0.00 0.00 0.00 36.38 35.60 3d3i s VAL 107 CO 0.00 0.24 0.02 -0.70 0.00 0.00 0.00 175.10 174.66 3d3i s GLU 108 N 0.74 1.94 0.00 2.72 2.12 -0.05 -0.42 118.70 125.75 3d3i s GLU 108 Ca -0.11 -2.13 0.00 0.00 0.36 0.00 0.00 54.97 53.10 3d3i s GLU 108 Cb -0.13 -1.45 0.00 0.00 0.26 0.00 0.00 34.13 32.81 3d3i s GLU 108 CO 0.01 -0.14 0.00 2.41 -0.54 0.00 0.00 175.26 177.00 3d3i n THR 110 N -0.97 0.00 -4.40 -1.70 -1.04 -0.77 -1.10 114.28 104.31 3d3i n THR 110 Ca -0.07 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.62 3d3i n THR 110 Cb 0.67 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 69.01 3d3i n THR 110 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3d3i s LEU 111 N 0.00 2.01 0.14 -4.42 2.96 -0.05 -0.61 118.68 118.70 3d3i s LEU 111 Ca 0.00 -0.58 0.00 0.00 -0.22 0.00 0.00 54.13 53.33 3d3i s LEU 111 Cb 0.00 -1.37 -0.04 0.00 0.50 0.00 0.00 46.19 45.28 3d3i s LEU 111 CO 0.00 0.03 0.02 -0.13 -1.32 0.00 0.00 176.35 174.96 3d3i s ARG 112 N 1.06 0.97 0.06 1.98 0.52 -0.60 -1.68 118.95 121.25 3d3i s ARG 112 Ca -0.02 -1.46 -0.14 0.00 -0.52 0.00 0.00 55.73 53.59 3d3i s ARG 112 Cb -0.14 0.02 -0.06 0.00 0.52 0.00 0.00 34.95 35.29 3d3i s ARG 112 CO -0.06 -0.19 0.47 -0.06 0.02 0.00 0.00 175.30 175.48 3d3i s PHE 113 N -3.87 3.69 -0.13 -0.53 0.40 -1.26 0.63 117.98 116.90 3d3i s PHE 113 Ca 0.22 1.02 0.07 0.00 -0.60 0.00 0.00 56.93 57.64 3d3i s PHE 113 Cb 0.07 -2.32 -0.13 0.00 0.51 0.00 0.00 43.02 41.15 3d3i s PHE 113 CO 0.01 0.56 -0.02 0.00 0.70 0.00 0.00 175.22 176.47 3d3i n ALA 114 N 1.38 1.70 -2.67 5.36 0.00 0.34 -4.79 120.51 121.83 3d3i n ALA 114 Ca -0.10 -0.73 -0.13 0.00 0.00 0.00 0.00 53.44 52.49 3d3i n ALA 114 Cb 0.52 0.06 -0.07 0.00 0.00 0.00 0.00 19.45 19.96 3d3i n ALA 114 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3d3i s THR 115 N -2.29 0.00 -2.00 0.00 -4.23 -0.88 -4.98 115.64 101.26 3d3i s THR 115 Ca -0.11 -1.73 0.07 0.00 -1.18 0.00 0.00 61.69 58.74 3d3i s THR 115 Cb 0.04 -2.45 0.19 0.00 1.34 0.00 0.00 72.50 71.63 3d3i s THR 115 CO 0.43 0.00 0.81 -2.65 -0.54 0.00 0.00 174.62 172.67 3d3i n PRO 116 N -0.41 0.32 0.00 3.99 -0.02 -1.26 -2.44 135.00 135.18 3d3i n PRO 116 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 3d3i n PRO 116 Cb 0.63 -1.33 0.00 0.00 -0.02 0.00 0.00 33.50 32.79 3d3i n PRO 116 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3d3i n ARG 117 N -0.83 0.00 -3.83 -0.52 5.12 -1.26 -3.61 116.66 111.74 3d3i n ARG 117 Ca 0.05 -0.06 -0.14 0.00 -1.93 0.00 0.00 57.85 55.77 3d3i n ARG 117 Cb 0.02 -0.48 -0.15 0.00 -1.16 0.00 0.00 32.46 30.69 3d3i n ARG 117 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3d3i s THR 118 N 0.00 -0.02 0.10 0.55 2.01 -1.02 -2.60 115.64 114.66 3d3i s THR 118 Ca 0.00 0.10 0.04 0.00 0.31 0.00 0.00 61.69 62.15 3d3i s THR 118 Cb 0.00 -0.06 -0.04 0.00 0.01 0.00 0.00 72.50 72.41 3d3i s THR 118 CO 0.00 0.05 0.04 -0.94 -0.69 0.00 0.00 174.62 173.08 3d3i s SER 119 N 0.55 5.23 -0.12 3.53 1.04 -0.03 -0.51 113.70 123.39 3d3i s SER 119 Ca -0.05 -0.13 0.02 0.00 0.48 0.00 0.00 55.95 56.28 3d3i s SER 119 Cb -0.07 -1.31 -0.00 0.00 0.10 0.00 0.00 66.02 64.74 3d3i s SER 119 CO -0.01 0.16 -0.20 -0.22 0.98 0.00 0.00 173.24 173.94 3d3i s LEU 120 N -2.43 2.27 -0.18 2.42 2.96 0.20 -1.44 118.68 122.49 3d3i s LEU 120 Ca 0.27 -0.51 -0.01 0.00 -0.22 0.00 0.00 54.13 53.66 3d3i s LEU 120 Cb -0.12 -1.47 -0.01 0.00 0.50 0.00 0.00 46.19 45.09 3d3i s LEU 120 CO 0.20 0.14 -0.11 -0.22 -1.32 0.00 0.00 176.35 175.04 3d3i s LEU 121 N 0.47 2.67 -0.26 -0.68 2.96 0.50 -1.56 118.68 122.77 3d3i s LEU 121 Ca -0.14 -0.42 -0.11 0.00 -0.22 0.00 0.00 54.13 53.24 3d3i s LEU 121 Cb -0.17 -1.64 -0.05 0.00 0.50 0.00 0.00 46.19 44.84 3d3i s LEU 121 CO 0.06 0.06 0.17 -0.70 -1.32 0.00 0.00 176.35 174.62 3d3i s GLU 122 N 1.00 4.01 -0.36 1.98 2.12 0.22 -1.35 118.70 126.33 3d3i s GLU 122 Ca -0.01 -0.29 -0.01 0.00 0.36 0.00 0.00 54.97 55.02 3d3i s GLU 122 Cb -0.15 -3.60 0.09 0.00 0.26 0.00 0.00 34.13 30.74 3d3i s GLU 122 CO -0.02 -0.05 0.11 0.99 -0.54 0.00 0.00 175.26 175.75 3d3i s THR 123 N 1.39 2.94 -0.37 -1.70 2.01 -0.05 -1.84 115.64 118.02 3d3i s THR 123 Ca 0.07 -1.95 -0.14 0.00 0.31 0.00 0.00 61.69 59.99 3d3i s THR 123 Cb -0.15 -2.96 -0.00 0.00 0.01 0.00 0.00 72.50 69.40 3d3i s THR 123 CO 0.08 -0.50 0.27 -0.75 -0.69 0.00 0.00 174.62 173.02 3d3i s LYS 124 N 1.11 3.29 -0.19 4.92 2.20 -0.26 -0.83 119.74 129.98 3d3i s LYS 124 Ca 0.05 -0.79 -0.04 0.00 -0.36 0.00 0.00 55.97 54.83 3d3i s LYS 124 Cb -0.21 -3.88 -0.02 0.00 -1.51 0.00 0.00 37.83 32.21 3d3i s LYS 124 CO -0.04 -0.57 -0.02 0.42 -0.36 0.00 0.00 175.35 174.78 3d3i s ILE 125 N 1.72 3.88 -0.22 5.43 1.09 0.23 -0.87 121.20 132.46 3d3i s ILE 125 Ca 0.06 -0.35 -0.04 0.00 -1.10 0.00 0.00 60.65 59.23 3d3i s ILE 125 Cb -0.18 -2.74 -0.01 0.00 -1.06 0.00 0.00 42.46 38.48 3d3i s ILE 125 CO 0.10 0.45 -0.05 -0.89 -0.10 0.00 0.00 174.94 174.45 3d3i s THR 126 N 0.84 3.28 -0.03 2.92 2.01 0.03 -0.99 115.64 123.70 3d3i s THR 126 Ca 0.00 -0.52 -0.11 0.00 0.31 0.00 0.00 61.69 61.37 3d3i s THR 126 Cb -0.14 -2.49 0.02 0.00 0.01 0.00 0.00 72.50 69.90 3d3i s THR 126 CO 0.02 0.43 0.24 -0.55 -0.69 0.00 0.00 174.62 174.07 3d3i s SER 127 N 1.47 -0.14 0.00 3.53 0.15 -1.26 -1.39 113.70 116.05 3d3i s SER 127 Ca 0.06 0.10 0.24 0.00 0.70 0.00 0.00 55.95 57.05 3d3i s SER 127 Cb -0.14 0.34 0.35 0.00 -1.71 0.00 0.00 66.02 64.86 3d3i s SER 127 CO -0.04 -0.33 1.31 -0.46 1.20 0.00 0.00 173.24 174.92 3d3i n ASN 128 N 1.75 1.44 -4.12 5.45 6.94 -1.20 -3.28 115.26 122.24 3d3i n ASN 128 Ca -0.20 -1.14 -0.08 0.00 -0.02 0.00 0.00 54.58 53.14 3d3i n ASN 128 Cb 0.56 0.34 -0.10 0.00 -2.36 0.00 0.00 39.78 38.23 3d3i n ASN 128 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3d3i s LYS 129 N -2.54 0.74 0.79 -3.83 1.02 -1.26 -5.04 119.74 109.61 3d3i s LYS 129 Ca 0.20 -1.31 -0.13 0.00 0.02 0.00 0.00 55.97 54.76 3d3i s LYS 129 Cb 0.18 0.19 0.08 0.00 -0.52 0.00 0.00 37.83 37.76 3d3i s LYS 129 CO 0.57 -0.16 1.18 -2.14 -0.92 0.00 0.00 175.35 173.88 3d3i s PRO 130 N -3.96 1.78 0.05 -1.68 0.02 -1.25 -4.36 135.00 125.60 3d3i s PRO 130 Ca 0.13 1.63 -0.06 0.00 0.02 0.00 0.00 61.00 62.73 3d3i s PRO 130 Cb 0.08 -1.80 -0.01 0.00 0.02 0.00 0.00 34.50 32.78 3d3i s PRO 130 CO -0.05 -2.08 0.11 -0.51 -0.33 0.00 0.00 177.00 174.14 3d3i s LEU 131 N -5.70 1.75 -0.24 -5.54 1.43 -0.32 -4.90 118.68 105.15 3d3i s LEU 131 Ca 0.71 -0.57 -0.06 0.00 -1.03 0.00 0.00 54.13 53.17 3d3i s LEU 131 Cb -0.26 0.68 -0.02 0.00 0.03 0.00 0.00 46.19 46.62 3d3i s LEU 131 CO 0.50 -0.56 0.02 -1.81 0.23 0.00 0.00 176.35 174.73 3d3i s ASP 132 N -2.31 4.75 -0.01 2.29 1.01 0.06 -1.13 116.67 121.33 3d3i s ASP 132 Ca -0.02 -0.29 -0.07 0.00 0.71 0.00 0.00 52.55 52.88 3d3i s ASP 132 Cb 0.01 -1.84 -0.05 0.00 1.01 0.00 0.00 42.92 42.05 3d3i s ASP 132 CO -0.06 -0.03 0.25 -0.76 0.21 0.00 0.00 175.17 174.78 3d3i s LEU 133 N 1.55 4.38 -0.03 1.23 1.43 0.78 -0.76 118.68 127.26 3d3i s LEU 133 Ca 0.06 0.55 0.00 0.00 -1.03 0.00 0.00 54.13 53.71 3d3i s LEU 133 Cb -0.15 -2.59 0.03 0.00 0.03 0.00 0.00 46.19 43.52 3d3i s LEU 133 CO 0.00 0.28 0.01 -0.69 0.23 0.00 0.00 176.35 176.19 3d3i s VAL 134 N -1.26 0.08 -0.08 -1.59 1.01 -0.79 -2.10 120.40 115.67 3d3i s VAL 134 Ca 0.26 0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.43 3d3i s VAL 134 Cb -0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 36.38 36.04 3d3i s VAL 134 CO 0.15 0.13 -0.21 0.26 0.00 0.00 0.00 175.10 175.42 3d3i s TRP 135 N 1.12 2.58 0.18 5.22 0.51 0.08 -0.84 118.94 127.79 3d3i s TRP 135 Ca -0.09 -0.74 0.03 0.00 -2.12 0.00 0.00 56.10 53.19 3d3i s TRP 135 Cb -0.13 -1.68 -0.05 0.00 -0.81 0.00 0.00 33.47 30.80 3d3i s TRP 135 CO -0.02 -0.23 -0.03 0.16 -0.51 0.00 0.00 176.95 176.31 3d3i s ASP 136 N 0.02 1.57 -0.06 2.95 -4.77 -0.35 0.04 116.67 116.07 3d3i s ASP 136 Ca -0.08 -1.13 -0.30 0.00 -3.30 0.00 0.00 52.55 47.74 3d3i s ASP 136 Cb -0.15 0.05 0.11 0.00 -1.09 0.00 0.00 42.92 41.84 3d3i s ASP 136 CO 0.05 -0.48 0.96 -0.83 0.70 0.00 0.00 175.17 175.57 3d3i s GLY 137 N -3.21 -0.40 -0.18 2.12 0.00 -0.97 -0.53 107.32 104.16 3d3i s GLY 137 Ca 0.23 1.30 -0.14 0.00 0.00 0.00 0.00 44.72 46.10 3d3i s GLY 137 CO 0.04 0.50 0.46 1.85 0.00 0.00 0.00 173.10 175.95 3d3i s GLU 138 N -2.64 0.51 0.48 2.90 2.12 -0.76 -0.96 118.70 120.35 3d3i s GLU 138 Ca 0.04 0.73 -0.20 0.00 0.36 0.00 0.00 54.97 55.90 3d3i s GLU 138 Cb -0.01 0.17 -0.09 0.00 0.26 0.00 0.00 34.13 34.47 3d3i s GLU 138 CO -0.06 -0.10 1.03 -0.51 -0.54 0.00 0.00 175.26 175.08 3d3i s LEU 139 N 0.67 3.86 0.71 2.70 1.43 -0.05 -4.12 118.68 123.88 3d3i s LEU 139 Ca -0.03 1.90 -0.15 0.00 -1.03 0.00 0.00 54.13 54.82 3d3i s LEU 139 Cb -0.05 -4.56 0.03 0.00 0.03 0.00 0.00 46.19 41.64 3d3i s LEU 139 CO -0.05 -0.73 1.17 -0.76 0.23 0.00 0.00 176.35 176.21 3d3i s LEU 140 N -3.45 3.33 -0.02 1.79 1.43 -1.26 -4.95 118.68 115.55 3d3i s LEU 140 Ca 0.67 2.21 0.00 0.00 -1.03 0.00 0.00 54.13 55.98 3d3i s LEU 140 Cb -0.15 -4.57 -0.01 0.00 0.03 0.00 0.00 46.19 41.48 3d3i s LEU 140 CO 0.19 -2.05 -0.02 1.21 0.23 0.00 0.00 176.35 175.92 3d3i n GLU 141 N -2.65 0.04 -2.64 1.70 2.13 -1.26 -4.90 120.64 113.06 3d3i n GLU 141 Ca 0.12 0.01 -0.40 0.00 0.66 0.00 0.00 57.16 57.55 3d3i n GLU 141 Cb 0.51 -1.01 -0.05 0.00 0.27 0.00 0.00 31.44 31.16 3d3i n GLU 141 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3d3i s LYS 142 N -2.04 4.76 -0.08 5.31 1.02 -1.26 -1.21 119.74 126.24 3d3i s LYS 142 Ca -0.02 1.62 -0.05 0.00 0.02 0.00 0.00 55.97 57.53 3d3i s LYS 142 Cb 0.01 -3.25 -0.03 0.00 -0.52 0.00 0.00 37.83 34.03 3d3i s LYS 142 CO 0.04 0.37 0.20 1.25 -0.92 0.00 0.00 175.35 176.29 3d3i h LEU 143 N 4.13 -0.12 -7.85 3.17 5.85 -1.69 -3.40 115.31 115.40 3d3i h LEU 143 Ca -0.46 -0.03 -0.17 0.00 0.84 0.00 0.00 57.88 58.06 3d3i h LEU 143 Cb 1.21 0.03 -0.22 0.00 0.37 0.00 0.00 40.66 42.05 3d3i h LEU 143 CO 0.68 0.38 -0.62 -1.83 -0.34 0.00 0.00 178.44 176.71 3d3i s GLU 144 N -2.06 0.34 0.04 1.25 -1.05 -1.26 -1.13 118.70 114.82 3d3i s GLU 144 Ca -0.03 -0.44 -0.15 0.00 -0.15 0.00 0.00 54.97 54.20 3d3i s GLU 144 Cb 0.00 0.13 0.03 0.00 -0.44 0.00 0.00 34.13 33.85 3d3i s GLU 144 CO 0.09 -0.07 0.34 0.00 0.95 0.00 0.00 175.26 176.57 3d3i s ALA 145 N -1.22 -0.80 -0.23 -0.84 0.00 -0.65 -1.87 121.76 116.16 3d3i s ALA 145 Ca -0.13 0.14 0.01 0.00 0.00 0.00 0.00 51.96 51.98 3d3i s ALA 145 Cb -0.08 0.30 0.05 0.00 0.00 0.00 0.00 23.12 23.40 3d3i s ALA 145 CO 0.00 -0.41 -0.08 0.21 0.00 0.00 0.00 175.76 175.48 3d3i s LYS 146 N -2.39 1.89 -1.44 0.00 2.20 0.05 -1.83 119.74 118.21 3d3i s LYS 146 Ca -0.06 -1.01 -0.02 0.00 -0.36 0.00 0.00 55.97 54.52 3d3i s LYS 146 Cb -0.01 -2.59 0.01 0.00 -1.51 0.00 0.00 37.83 33.73 3d3i s LYS 146 CO -0.02 -0.53 0.44 0.39 -0.36 0.00 0.00 175.35 175.27 3d3i n GLU 147 N 4.63 -3.27 0.00 4.03 -0.58 0.11 -1.84 120.64 123.72 3d3i n GLU 147 Ca -0.13 0.40 0.00 0.00 -0.42 0.00 0.00 57.16 57.00 3d3i n GLU 147 Cb 0.44 -4.57 0.00 0.00 -0.57 0.00 0.00 31.44 26.75 3d3i n GLU 147 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3d3i n GLY 148 N -1.95 3.21 3.55 0.62 0.00 -1.26 -5.02 105.19 104.34 3d3i n GLY 148 Ca -0.28 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 3d3i n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d3i s LYS 149 N -0.48 3.66 0.29 1.61 -0.14 -0.77 -5.04 119.74 118.87 3d3i s LYS 149 Ca 0.00 -0.41 -0.30 0.00 -1.36 0.00 0.00 55.97 53.90 3d3i s LYS 149 Cb 0.00 -3.76 -0.13 0.00 -1.68 0.00 0.00 37.83 32.26 3d3i s LYS 149 CO 0.00 -0.42 1.39 -0.35 -0.76 0.00 0.00 175.35 175.21 3d3i n PRO 150 N 5.25 2.16 0.01 -1.68 -0.04 -1.26 -0.77 135.00 138.67 3d3i n PRO 150 Ca -0.11 0.77 0.13 0.00 -0.04 0.00 0.00 63.50 64.25 3d3i n PRO 150 Cb 0.50 -2.41 0.51 0.00 -0.04 0.00 0.00 33.50 32.06 3d3i n PRO 150 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3d3i n LEU 151 N 1.61 0.20 -3.90 1.53 4.77 -0.78 -4.83 117.00 115.59 3d3i n LEU 151 Ca 0.08 0.39 0.02 0.00 -0.03 0.00 0.00 56.01 56.48 3d3i n LEU 151 Cb 0.34 -0.42 0.01 0.00 -2.33 0.00 0.00 43.42 41.02 3d3i n LEU 151 CO 0.63 0.01 1.09 -0.94 -1.33 0.00 0.00 177.39 176.84 3d3i s SER 152 N -3.18 -0.01 -0.05 -1.43 1.04 -1.26 -5.01 113.70 103.81 3d3i s SER 152 Ca 0.13 -0.20 0.21 0.00 0.48 0.00 0.00 55.95 56.57 3d3i s SER 152 Cb 0.18 0.15 0.69 0.00 0.10 0.00 0.00 66.02 67.15 3d3i s SER 152 CO 0.58 -0.30 1.59 -0.90 0.98 0.00 0.00 173.24 175.19 3d3i n ASP 153 N -0.95 4.36 -4.76 7.02 5.68 -1.26 -4.82 116.55 121.83 3d3i n ASP 153 Ca 0.01 -2.20 -0.39 0.00 -0.50 0.00 0.00 54.79 51.71 3d3i n ASP 153 Cb 0.60 -0.54 0.02 0.00 -1.14 0.00 0.00 41.12 40.06 3d3i n ASP 153 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3d3i s LYS 154 N -1.38 3.56 0.29 0.11 1.02 -1.26 -4.94 119.74 117.14 3d3i s LYS 154 Ca 0.51 2.28 0.08 0.00 0.02 0.00 0.00 55.97 58.86 3d3i s LYS 154 Cb 0.29 -2.53 -0.03 0.00 -0.52 0.00 0.00 37.83 35.04 3d3i s LYS 154 CO 0.30 -0.87 0.20 0.95 -0.92 0.00 0.00 175.35 175.01 3d3i s THR 155 N -1.26 3.91 0.11 2.17 -4.23 -1.26 -2.13 115.64 112.95 3d3i s THR 155 Ca 0.64 -1.47 -0.19 0.00 -1.18 0.00 0.00 61.69 59.48 3d3i s THR 155 Cb -0.41 -3.23 -0.07 0.00 1.34 0.00 0.00 72.50 70.13 3d3i s THR 155 CO 0.51 -0.28 1.69 0.40 -0.54 0.00 0.00 174.62 176.40 3d3i h ILE 156 N 1.46 1.13 -0.28 2.99 2.04 -1.42 -1.01 117.51 122.42 3d3i h ILE 156 Ca -0.46 -0.38 -0.08 0.00 1.00 0.00 0.00 64.86 64.94 3d3i h ILE 156 Cb 1.25 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 3d3i h ILE 156 CO 0.60 0.13 -0.18 0.00 0.00 0.00 0.00 178.15 178.71 3d3i h ALA 157 N 0.99 1.18 -0.32 1.87 0.00 -1.81 -0.05 119.26 121.11 3d3i h ALA 157 Ca 0.08 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.52 3d3i h ALA 157 Cb 0.10 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3d3i h ALA 157 CO -0.01 0.52 -0.46 0.78 0.00 0.00 0.00 179.25 180.09 3d3i h GLY 158 N 0.96 0.92 1.42 0.00 0.00 -1.89 -2.72 103.07 101.76 3d3i h GLY 158 Ca 0.08 -1.00 -0.20 0.00 0.00 0.00 0.00 47.33 46.21 3d3i h GLY 158 CO 0.04 0.90 -0.76 -2.09 0.00 0.00 0.00 176.54 174.63 3d3i h GLU 159 N 0.67 0.57 -2.87 4.80 4.57 -0.98 -3.38 114.58 117.96 3d3i h GLU 159 Ca 0.04 -0.47 -0.61 0.00 -1.18 0.00 0.00 59.36 57.14 3d3i h GLU 159 Cb 1.04 0.10 -0.41 0.00 -0.16 0.00 0.00 28.75 29.33 3d3i h GLU 159 CO 0.10 1.10 -0.70 0.71 -1.18 0.00 0.00 179.01 179.04 3d3i s TYR 160 N -3.66 2.77 0.57 0.92 2.02 -0.05 -4.97 117.35 114.96 3d3i s TYR 160 Ca -0.08 -3.01 0.27 0.00 -0.37 0.00 0.00 57.07 53.89 3d3i s TYR 160 Cb 0.10 -2.14 1.55 0.00 -0.40 0.00 0.00 41.96 41.07 3d3i s TYR 160 CO 0.87 -0.64 2.06 -1.35 -1.57 0.00 0.00 175.55 174.92 3d3i h PRO 161 N 5.52 0.00 -0.01 -1.71 0.11 -1.67 -1.77 132.00 132.47 3d3i h PRO 161 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3d3i h PRO 161 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 3d3i h PRO 161 CO 0.61 0.00 -0.35 -0.25 -0.21 0.00 0.00 178.00 177.79 3d3i n ASP 162 N -3.96 1.01 -0.28 -2.05 8.00 -1.26 -4.12 116.55 113.89 3d3i n ASP 162 Ca 0.04 -0.82 -0.05 0.00 0.71 0.00 0.00 54.79 54.67 3d3i n ASP 162 Cb 0.41 0.22 0.06 0.00 -0.02 0.00 0.00 41.12 41.79 3d3i n ASP 162 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3d3i h TYR 163 N 1.03 1.02 -7.06 1.24 3.20 -1.59 -3.33 116.97 111.48 3d3i h TYR 163 Ca 0.00 -0.01 -0.40 0.00 3.14 0.00 0.00 58.73 61.46 3d3i h TYR 163 Cb 0.53 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 3d3i h TYR 163 CO 0.00 0.69 -0.67 1.04 -1.64 0.00 0.00 178.16 177.58 3d3i n GLN 164 N -4.48 -0.53 -1.79 1.82 6.02 -1.26 0.16 117.38 117.32 3d3i n GLN 164 Ca 0.07 -0.12 -0.42 0.00 -0.01 0.00 0.00 57.00 56.52 3d3i n GLN 164 Cb 0.07 -1.40 -0.02 0.00 1.02 0.00 0.00 30.24 29.91 3d3i n GLN 164 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3d3i s ARG 165 N -6.59 4.14 -0.03 -1.09 0.52 -1.26 -4.31 118.95 110.33 3d3i s ARG 165 Ca 0.29 2.56 -0.01 0.00 -0.52 0.00 0.00 55.73 58.05 3d3i s ARG 165 Cb -0.16 -3.05 0.03 0.00 0.52 0.00 0.00 34.95 32.29 3d3i s ARG 165 CO 0.65 -0.64 0.05 0.21 0.02 0.00 0.00 175.30 175.59 3d3i s LYS 166 N -0.06 -0.03 -0.12 3.54 2.20 -0.85 -4.97 119.74 119.44 3d3i s LYS 166 Ca 0.66 0.24 -0.13 0.00 -0.36 0.00 0.00 55.97 56.38 3d3i s LYS 166 Cb -0.48 -0.28 -0.05 0.00 -1.51 0.00 0.00 37.83 35.52 3d3i s LYS 166 CO 0.43 -0.19 0.29 0.42 -0.36 0.00 0.00 175.35 175.94 3d3i s ILE 167 N 1.26 5.28 0.03 5.43 1.01 -1.26 -0.93 121.20 132.02 3d3i s ILE 167 Ca -0.07 0.55 0.04 0.00 0.00 0.00 0.00 60.65 61.17 3d3i s ILE 167 Cb -0.13 -3.61 -0.02 0.00 0.01 0.00 0.00 42.46 38.72 3d3i s ILE 167 CO -0.03 0.47 -0.12 -0.44 0.00 0.00 0.00 174.94 174.82 3d3i s SER 168 N -0.13 1.36 0.38 3.58 0.01 0.10 -4.99 113.70 114.02 3d3i s SER 168 Ca 0.18 -0.41 -0.16 0.00 1.31 0.00 0.00 55.95 56.87 3d3i s SER 168 Cb -0.14 -0.08 -0.09 0.00 0.21 0.00 0.00 66.02 65.92 3d3i s SER 168 CO 0.06 0.00 0.82 0.00 0.41 0.00 0.00 173.24 174.54 3d3i s ALA 169 N -0.80 3.22 0.23 1.44 0.00 -1.26 -1.10 121.76 123.49 3d3i s ALA 169 Ca -0.00 0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.10 3d3i s ALA 169 Cb -0.07 -2.90 -0.05 0.00 0.00 0.00 0.00 23.12 20.10 3d3i s ALA 169 CO 0.01 0.17 0.04 0.95 0.00 0.00 0.00 175.76 176.93 3d3i s THR 170 N -2.16 0.76 0.56 0.00 -4.23 -0.58 -4.87 115.64 105.12 3d3i s THR 170 Ca 0.56 -2.00 0.36 0.00 -1.18 0.00 0.00 61.69 59.43 3d3i s THR 170 Cb -0.10 -2.42 0.39 0.00 1.34 0.00 0.00 72.50 71.71 3d3i s THR 170 CO 0.20 -0.22 2.26 0.08 -0.54 0.00 0.00 174.62 176.39 3d3i h ARG 171 N 2.48 0.00 0.00 3.99 0.11 -1.98 -3.00 114.38 115.98 3d3i h ARG 171 Ca -0.38 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.69 3d3i h ARG 171 Cb 1.23 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.28 3d3i h ARG 171 CO 0.63 0.02 -0.30 -0.40 0.10 0.00 0.00 179.97 180.02 3d3i n ASP 172 N -3.43 1.37 0.00 0.08 5.75 -1.26 -4.71 116.55 114.35 3d3i n ASP 172 Ca -0.03 -2.71 0.00 0.00 -0.01 0.00 0.00 54.79 52.04 3d3i n ASP 172 Cb 0.12 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 39.86 3d3i n ASP 172 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3d3i n GLY 173 N -0.77 -0.49 3.83 6.12 0.00 -1.13 -0.15 105.19 112.59 3d3i n GLY 173 Ca 0.10 -0.05 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 3d3i n GLY 173 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3d3i s LEU 174 N 0.00 -0.09 0.07 0.99 2.34 -0.88 -1.52 118.68 119.60 3d3i s LEU 174 Ca 0.00 -0.86 -0.17 0.00 0.06 0.00 0.00 54.13 53.16 3d3i s LEU 174 Cb 0.00 2.64 0.03 0.00 -0.56 0.00 0.00 46.19 48.31 3d3i s LEU 174 CO 0.00 -1.43 0.39 -1.59 -1.06 0.00 0.00 176.35 172.67 3d3i s LYS 175 N -2.82 0.96 -0.10 1.48 -2.85 -0.26 -0.79 119.74 115.35 3d3i s LYS 175 Ca 0.15 -0.52 0.03 0.00 -1.00 0.00 0.00 55.97 54.63 3d3i s LYS 175 Cb -0.05 0.42 0.00 0.00 -2.06 0.00 0.00 37.83 36.15 3d3i s LYS 175 CO 0.08 -0.35 -0.22 0.08 0.10 0.00 0.00 175.35 175.05 3d3i s VAL 176 N -3.02 1.93 0.20 1.79 1.01 0.24 -0.72 120.40 121.84 3d3i s VAL 176 Ca -0.02 -0.93 0.07 0.00 0.00 0.00 0.00 61.98 61.10 3d3i s VAL 176 Cb 0.00 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 3d3i s VAL 176 CO -0.06 0.53 0.05 0.42 0.00 0.00 0.00 175.10 176.04 3d3i s THR 177 N 0.50 3.89 -0.01 3.92 -4.23 -0.11 -0.99 115.64 118.61 3d3i s THR 177 Ca -0.15 -1.47 0.03 0.00 -1.18 0.00 0.00 61.69 58.92 3d3i s THR 177 Cb -0.17 -3.01 -0.01 0.00 1.34 0.00 0.00 72.50 70.66 3d3i s THR 177 CO 0.06 -0.20 -0.10 -0.36 -0.54 0.00 0.00 174.62 173.48 3d3i s PHE 178 N -1.91 0.91 0.93 3.99 0.08 -1.12 -2.02 117.98 118.84 3d3i s PHE 178 Ca 0.30 -0.19 -0.14 0.00 0.12 0.00 0.00 56.93 57.02 3d3i s PHE 178 Cb -0.09 -0.60 0.16 0.00 -0.57 0.00 0.00 43.02 41.92 3d3i s PHE 178 CO 0.20 -0.04 1.20 0.20 -0.10 0.00 0.00 175.22 176.69 3d3i s GLY 179 N -0.13 1.64 -0.24 4.36 0.00 0.12 -4.15 107.32 108.92 3d3i s GLY 179 Ca 0.02 -0.81 -0.28 0.00 0.00 0.00 0.00 44.72 43.65 3d3i s GLY 179 CO -0.00 -0.17 0.99 1.25 0.00 0.00 0.00 173.10 175.17 3d3i s LYS 180 N -5.56 4.22 -0.13 2.90 2.20 -1.25 -4.16 119.74 117.95 3d3i s LYS 180 Ca 0.67 1.22 0.00 0.00 -0.36 0.00 0.00 55.97 57.50 3d3i s LYS 180 Cb -0.10 -3.65 0.02 0.00 -1.51 0.00 0.00 37.83 32.59 3d3i s LYS 180 CO 0.52 -0.63 -0.12 0.08 -0.36 0.00 0.00 175.35 174.84 3d3i s VAL 181 N 3.16 1.38 -0.72 4.02 1.01 -1.22 -4.71 120.40 123.31 3d3i s VAL 181 Ca 0.42 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.91 3d3i s VAL 181 Cb -0.15 -1.31 0.35 0.00 0.00 0.00 0.00 36.38 35.27 3d3i s VAL 181 CO 0.07 0.43 1.36 0.54 0.00 0.00 0.00 175.10 177.50 3d3i n ARG 182 N 4.75 3.89 -2.87 2.72 5.12 -1.26 -1.02 116.66 127.99 3d3i n ARG 182 Ca -0.16 -4.60 -0.43 0.00 -1.93 0.00 0.00 57.85 50.72 3d3i n ARG 182 Cb 0.50 -2.31 -0.03 0.00 -1.16 0.00 0.00 32.46 29.46 3d3i n ARG 182 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3d3i s ALA 183 N -3.81 3.24 0.32 7.54 0.00 -0.23 -4.90 121.76 123.92 3d3i s ALA 183 Ca 0.46 -2.59 0.18 0.00 0.00 0.00 0.00 51.96 50.00 3d3i s ALA 183 Cb 0.29 -4.10 1.15 0.00 0.00 0.00 0.00 23.12 20.46 3d3i s ALA 183 CO -0.18 -3.05 1.37 2.41 0.00 0.00 0.00 175.76 176.31 3d3i n THR 184 N 5.74 -0.36 0.17 0.00 -1.04 -1.26 -1.08 114.28 116.44 3d3i n THR 184 Ca 0.22 1.76 0.08 0.00 -2.04 0.00 0.00 64.05 64.07 3d3i n THR 184 Cb 0.49 -2.86 0.14 0.00 -1.82 0.00 0.00 70.33 66.29 3d3i n THR 184 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 3d3i n TRP 185 N -4.97 0.34 0.00 -1.42 5.03 -1.26 -4.67 117.44 110.48 3d3i n TRP 185 Ca 0.32 -0.27 0.00 0.00 3.03 0.00 0.00 57.50 60.59 3d3i n TRP 185 Cb 1.10 -0.01 0.00 0.00 -1.03 0.00 0.00 31.31 31.37 3d3i n TRP 185 CO 0.00 0.00 0.00 -0.25 -0.03 0.00 0.00 177.69 177.41 3d3i n ASP 186 N 0.87 0.16 -3.67 -0.99 8.00 -0.24 -5.08 116.55 115.59 3d3i n ASP 186 Ca 0.13 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.53 3d3i n ASP 186 Cb 0.44 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.43 3d3i n ASP 186 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3d3i s LEU 187 N -4.49 -0.37 -0.13 0.64 2.96 -0.57 -4.82 118.68 111.89 3d3i s LEU 187 Ca 0.00 0.89 0.00 0.00 -0.22 0.00 0.00 54.13 54.80 3d3i s LEU 187 Cb 0.00 1.24 0.02 0.00 0.50 0.00 0.00 46.19 47.95 3d3i s LEU 187 CO 0.00 -0.22 -0.11 -0.76 -1.32 0.00 0.00 176.35 173.94 3d3i s LEU 188 N 2.13 1.47 0.05 -0.68 1.43 -1.23 -1.06 118.68 120.80 3d3i s LEU 188 Ca -0.04 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 52.67 3d3i s LEU 188 Cb -0.11 -1.03 -0.03 0.00 0.03 0.00 0.00 46.19 45.05 3d3i s LEU 188 CO -0.12 -0.08 -0.07 0.42 0.23 0.00 0.00 176.35 176.73 3d3i s THR 189 N 1.57 0.55 -0.33 5.49 -4.23 -0.19 -3.91 115.64 114.59 3d3i s THR 189 Ca 0.05 -1.30 0.23 0.00 -1.18 0.00 0.00 61.69 59.49 3d3i s THR 189 Cb -0.13 -0.87 0.16 0.00 1.34 0.00 0.00 72.50 73.00 3d3i s THR 189 CO -0.09 -0.52 1.32 0.77 -0.54 0.00 0.00 174.62 175.55 3d3i h SER 190 N 4.11 0.00 0.00 3.99 4.64 -1.85 -3.22 113.55 121.21 3d3i h SER 190 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 3d3i h SER 190 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3d3i h SER 190 CO 0.47 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 177.06 3d3i n GLY 191 N 1.15 0.56 0.00 -0.77 0.00 -1.26 -4.70 105.19 100.17 3d3i n GLY 191 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3d3i n GLY 191 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3d3i n GLU 192 N -2.00 0.89 -2.39 1.61 -0.58 -1.26 -4.63 120.64 112.28 3d3i n GLU 192 Ca 0.00 -0.80 -0.33 0.00 -0.42 0.00 0.00 57.16 55.61 3d3i n GLU 192 Cb 0.00 -0.80 -0.03 0.00 -0.57 0.00 0.00 31.44 30.04 3d3i n GLU 192 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3d3i s SER 193 N -0.37 6.34 0.08 1.62 1.04 -1.25 -4.17 113.70 116.98 3d3i s SER 193 Ca 0.00 1.76 -0.14 0.00 0.48 0.00 0.00 55.95 58.05 3d3i s SER 193 Cb 0.00 -2.53 0.02 0.00 0.10 0.00 0.00 66.02 63.61 3d3i s SER 193 CO 0.00 -0.78 0.33 -1.61 0.98 0.00 0.00 173.24 172.15 3d3i s GLU 194 N -3.72 0.91 -0.24 4.02 2.02 0.28 -2.81 118.70 119.16 3d3i s GLU 194 Ca 0.63 -0.63 0.02 0.00 0.02 0.00 0.00 54.97 55.01 3d3i s GLU 194 Cb -0.13 0.39 0.05 0.00 0.10 0.00 0.00 34.13 34.54 3d3i s GLU 194 CO 0.27 -0.32 -0.13 -0.47 0.02 0.00 0.00 175.26 174.63 3d3i s TYR 195 N -3.17 3.11 -0.00 1.61 5.04 -0.17 -1.06 117.35 122.71 3d3i s TYR 195 Ca -0.01 -2.13 0.02 0.00 -2.44 0.00 0.00 57.07 52.52 3d3i s TYR 195 Cb 0.01 -1.92 -0.03 0.00 0.35 0.00 0.00 41.96 40.37 3d3i s TYR 195 CO -0.07 -0.86 -0.04 -0.65 -1.34 0.00 0.00 175.55 172.59 3d3i s GLN 196 N 1.16 2.64 -0.17 4.97 -0.21 0.10 -0.59 119.66 127.56 3d3i s GLN 196 Ca -0.05 -0.68 0.01 0.00 0.02 0.00 0.00 55.36 54.66 3d3i s GLN 196 Cb -0.18 -2.57 0.02 0.00 1.00 0.00 0.00 33.01 31.29 3d3i s GLN 196 CO -0.07 0.61 -0.18 0.08 -2.12 0.00 0.00 175.29 173.61 3d3i s VAL 197 N -1.02 1.92 -0.04 1.09 1.01 0.03 -1.38 120.40 121.99 3d3i s VAL 197 Ca 0.18 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.34 3d3i s VAL 197 Cb -0.11 -1.76 -0.01 0.00 0.00 0.00 0.00 36.38 34.50 3d3i s VAL 197 CO 0.08 0.49 -0.23 -1.00 0.00 0.00 0.00 175.10 174.45 3d3i s HIS 198 N 1.34 2.17 0.13 5.22 3.76 -0.79 -2.07 115.29 125.05 3d3i s HIS 198 Ca 0.04 -0.59 0.07 0.00 -0.15 0.00 0.00 55.06 54.43 3d3i s HIS 198 Cb -0.13 -1.43 -0.04 0.00 1.11 0.00 0.00 32.58 32.09 3d3i s HIS 198 CO -0.12 -0.16 -0.17 0.15 -0.85 0.00 0.00 174.74 173.59 3d3i s LYS 199 N -0.20 1.11 0.18 1.40 1.02 0.78 -0.56 119.74 123.47 3d3i s LYS 199 Ca -0.01 -1.26 0.25 0.00 0.02 0.00 0.00 55.97 54.97 3d3i s LYS 199 Cb -0.12 -1.12 0.91 0.00 -0.52 0.00 0.00 37.83 36.98 3d3i s LYS 199 CO 0.02 0.23 1.75 -1.13 -0.92 0.00 0.00 175.35 175.30 3d3i n SER 200 N 0.60 0.59 -4.26 2.83 3.41 -0.11 -4.77 113.62 111.90 3d3i n SER 200 Ca -0.16 0.59 -0.27 0.00 -0.26 0.00 0.00 58.87 58.77 3d3i n SER 200 Cb 0.56 -0.73 -0.15 0.00 -0.26 0.00 0.00 64.21 63.63 3d3i n SER 200 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 3d3i s LEU 201 N -4.17 2.13 0.35 1.04 2.34 -1.26 -4.97 118.68 114.12 3d3i s LEU 201 Ca 0.09 -0.49 -0.29 0.00 0.06 0.00 0.00 54.13 53.50 3d3i s LEU 201 Cb 0.12 -1.06 -0.11 0.00 -0.56 0.00 0.00 46.19 44.58 3d3i s LEU 201 CO 0.49 0.21 1.47 -2.84 -1.06 0.00 0.00 176.35 174.61 3d3i s PRO 202 N -0.96 4.17 -0.01 1.48 0.02 -1.26 -4.93 135.00 133.51 3d3i s PRO 202 Ca 0.08 2.49 -0.06 0.00 0.02 0.00 0.00 61.00 63.53 3d3i s PRO 202 Cb -0.09 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.43 3d3i s PRO 202 CO 0.01 -0.48 0.11 0.14 -0.33 0.00 0.00 177.00 176.46 3d3i s VAL 203 N -0.87 0.07 -0.29 3.83 -7.23 -1.26 -4.77 120.40 109.88 3d3i s VAL 203 Ca 0.54 -0.58 -0.11 0.00 -1.81 0.00 0.00 61.98 60.02 3d3i s VAL 203 Cb -0.45 -0.36 -0.04 0.00 0.56 0.00 0.00 36.38 36.08 3d3i s VAL 203 CO 0.57 -0.32 0.20 -1.10 -0.31 0.00 0.00 175.10 174.14 3d3i s GLN 204 N -1.10 3.84 -0.17 4.82 -0.21 -0.30 -4.83 119.66 121.70 3d3i s GLN 204 Ca -0.12 -0.40 -0.04 0.00 0.02 0.00 0.00 55.36 54.82 3d3i s GLN 204 Cb -0.07 -3.68 -0.03 0.00 1.00 0.00 0.00 33.01 30.23 3d3i s GLN 204 CO 0.01 -0.24 -0.02 0.99 -2.12 0.00 0.00 175.29 173.91 3d3i s THR 205 N 1.75 4.00 -0.12 -0.19 2.01 -1.26 -0.84 115.64 121.00 3d3i s THR 205 Ca 0.07 -0.31 -0.01 0.00 0.31 0.00 0.00 61.69 61.74 3d3i s THR 205 Cb -0.16 -2.77 -0.02 0.00 0.01 0.00 0.00 72.50 69.55 3d3i s THR 205 CO 0.11 0.48 -0.08 -0.70 -0.69 0.00 0.00 174.62 173.74 3d3i s GLU 206 N 0.46 3.27 -0.10 4.92 2.12 0.11 -4.89 118.70 124.60 3d3i s GLU 206 Ca -0.02 -0.58 0.01 0.00 0.36 0.00 0.00 54.97 54.74 3d3i s GLU 206 Cb -0.14 -2.72 -0.02 0.00 0.26 0.00 0.00 34.13 31.51 3d3i s GLU 206 CO 0.02 0.38 -0.14 0.42 -0.54 0.00 0.00 175.26 175.41 3d3i s ILE 207 N -0.04 3.04 -0.39 -3.70 1.01 -1.26 -1.03 121.20 118.83 3d3i s ILE 207 Ca -0.00 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 59.97 3d3i s ILE 207 Cb -0.14 -2.24 0.13 0.00 0.01 0.00 0.00 42.46 40.22 3d3i s ILE 207 CO 0.03 0.55 0.21 0.20 0.00 0.00 0.00 174.94 175.93 3d3i s ASN 208 N -0.03 3.51 1.72 3.58 -0.87 -0.24 -5.02 114.94 117.58 3d3i s ASN 208 Ca -0.03 -2.32 0.00 0.00 -1.57 0.00 0.00 52.86 48.94 3d3i s ASN 208 Cb -0.14 -0.81 0.00 0.00 -0.02 0.00 0.00 41.25 40.28 3d3i s ASN 208 CO 0.04 -0.31 0.00 0.61 -2.57 0.00 0.00 177.10 174.87 3d3i n GLY 209 N 3.93 3.71 1.96 0.66 0.00 -1.26 -2.06 105.19 112.13 3d3i n GLY 209 Ca 0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 46.02 46.04 3d3i n GLY 209 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3d3i n ASN 210 N 8.75 5.05 -4.27 1.61 3.02 -1.26 -4.64 115.26 123.52 3d3i n ASN 210 Ca 0.00 -3.10 -0.16 0.00 -0.03 0.00 0.00 54.58 51.29 3d3i n ASN 210 Cb 0.00 -0.73 -0.10 0.00 -0.61 0.00 0.00 39.78 38.34 3d3i n ASN 210 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3d3i s ARG 211 N -2.86 1.11 0.07 3.52 1.70 -0.87 -0.87 118.95 120.76 3d3i s ARG 211 Ca 0.54 -1.44 -0.06 0.00 -0.47 0.00 0.00 55.73 54.30 3d3i s ARG 211 Cb 0.42 -0.79 -0.02 0.00 -0.57 0.00 0.00 34.95 34.00 3d3i s ARG 211 CO 0.14 0.12 0.11 -0.59 -1.08 0.00 0.00 175.30 173.99 3d3i s PHE 212 N -3.02 0.28 -0.03 5.89 -0.12 -0.14 -1.08 117.98 119.76 3d3i s PHE 212 Ca 0.17 -0.74 -0.01 0.00 -0.05 0.00 0.00 56.93 56.29 3d3i s PHE 212 Cb 0.00 -0.18 0.03 0.00 -0.63 0.00 0.00 43.02 42.25 3d3i s PHE 212 CO 0.02 -0.47 0.06 0.99 -0.05 0.00 0.00 175.22 175.77 3d3i s THR 213 N -3.77 -0.08 -0.04 -4.49 2.01 -0.20 -2.29 115.64 106.79 3d3i s THR 213 Ca 0.05 0.26 0.07 0.00 0.31 0.00 0.00 61.69 62.37 3d3i s THR 213 Cb 0.05 -0.13 -0.02 0.00 0.01 0.00 0.00 72.50 72.42 3d3i s THR 213 CO -0.10 0.11 -0.24 -0.44 -0.69 0.00 0.00 174.62 173.26 3d3i s SER 214 N 1.37 3.20 0.07 3.53 0.01 0.11 0.10 113.70 122.09 3d3i s SER 214 Ca -0.06 -0.45 0.06 0.00 1.31 0.00 0.00 55.95 56.81 3d3i s SER 214 Cb -0.13 -0.61 -0.03 0.00 0.21 0.00 0.00 66.02 65.47 3d3i s SER 214 CO -0.04 0.29 -0.15 -0.54 0.41 0.00 0.00 173.24 173.21 3d3i s LYS 215 N -0.45 0.90 -0.02 12.44 1.02 -0.02 -0.74 119.74 132.88 3d3i s LYS 215 Ca 0.05 -0.95 -0.26 0.00 0.02 0.00 0.00 55.97 54.83 3d3i s LYS 215 Cb -0.12 -0.96 0.06 0.00 -0.52 0.00 0.00 37.83 36.30 3d3i s LYS 215 CO 0.01 0.22 0.58 0.00 -0.92 0.00 0.00 175.35 175.24 3d3i s ALA 216 N -1.16 -1.50 -0.08 5.17 0.00 -0.89 -1.15 121.76 122.14 3d3i s ALA 216 Ca 0.00 0.98 0.05 0.00 0.00 0.00 0.00 51.96 52.99 3d3i s ALA 216 Cb -0.10 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 3d3i s ALA 216 CO 0.02 -0.39 -0.22 -1.58 0.00 0.00 0.00 175.76 173.59 3d3i s HIS 217 N -1.52 2.54 0.12 0.00 2.46 -1.26 -0.16 115.29 117.47 3d3i s HIS 217 Ca -0.10 -0.75 0.11 0.00 0.47 0.00 0.00 55.06 54.78 3d3i s HIS 217 Cb -0.01 -1.66 -0.04 0.00 -0.13 0.00 0.00 32.58 30.74 3d3i s HIS 217 CO 0.06 -0.24 -0.26 0.96 -2.47 0.00 0.00 174.74 172.79 3d3i s ILE 218 N -0.02 2.31 -1.70 0.89 -5.25 -0.28 -5.00 121.20 112.15 3d3i s ILE 218 Ca -0.07 -1.69 0.27 0.00 -0.99 0.00 0.00 60.65 58.17 3d3i s ILE 218 Cb -0.15 -2.01 0.31 0.00 2.95 0.00 0.00 42.46 43.57 3d3i s ILE 218 CO 0.05 0.13 1.65 0.59 -1.79 0.00 0.00 174.94 175.57 3d3i n ASN 219 N 1.01 0.84 0.00 4.36 3.02 -1.26 -1.18 115.26 122.05 3d3i n ASN 219 Ca -0.18 -0.77 0.00 0.00 -0.03 0.00 0.00 54.58 53.61 3d3i n ASN 219 Cb 0.53 0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 3d3i n ASN 219 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3d3i n GLY 220 N 1.33 -0.54 3.63 7.41 0.00 -1.26 -3.75 105.19 112.01 3d3i n GLY 220 Ca 0.13 -0.84 -0.46 0.00 0.00 0.00 0.00 46.02 44.85 3d3i n GLY 220 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3d3i n SER 221 N 0.00 2.13 -3.49 1.61 7.64 -1.21 -4.76 113.62 115.54 3d3i n SER 221 Ca 0.00 1.15 -0.14 0.00 1.01 0.00 0.00 58.87 60.90 3d3i n SER 221 Cb 0.00 -1.35 -0.04 0.00 -1.01 0.00 0.00 64.21 61.81 3d3i n SER 221 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3d3i s THR 222 N -0.34 0.00 -0.13 0.44 -1.32 -0.16 -4.95 115.64 109.18 3d3i s THR 222 Ca 0.67 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 61.17 3d3i s THR 222 Cb -0.71 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.29 3d3i s THR 222 CO 0.53 0.00 -0.19 -0.89 -2.21 0.00 0.00 174.62 171.86 3d3i s THR 223 N -2.35 1.84 0.32 5.08 2.01 -1.26 -0.60 115.64 120.68 3d3i s THR 223 Ca -0.03 -0.85 0.10 0.00 0.31 0.00 0.00 61.69 61.22 3d3i s THR 223 Cb -0.01 -1.65 -0.05 0.00 0.01 0.00 0.00 72.50 70.80 3d3i s THR 223 CO -0.02 0.51 -0.04 -1.48 -0.69 0.00 0.00 174.62 172.90 3d3i s LEU 224 N 0.90 2.91 -0.00 4.42 2.34 -0.01 -4.97 118.68 124.25 3d3i s LEU 224 Ca -0.07 -0.99 0.05 0.00 0.06 0.00 0.00 54.13 53.19 3d3i s LEU 224 Cb -0.15 -1.30 -0.01 0.00 -0.56 0.00 0.00 46.19 44.16 3d3i s LEU 224 CO -0.02 -0.16 -0.16 -0.31 -1.06 0.00 0.00 176.35 174.64 3d3i s TYR 225 N -2.51 1.43 -0.01 3.48 2.02 -1.26 -0.87 117.35 119.64 3d3i s TYR 225 Ca 0.33 -0.28 0.02 0.00 -0.37 0.00 0.00 57.07 56.77 3d3i s TYR 225 Cb -0.01 -0.91 -0.00 0.00 -0.40 0.00 0.00 41.96 40.63 3d3i s TYR 225 CO 0.18 -0.01 -0.07 0.99 -1.57 0.00 0.00 175.55 175.07 3d3i s THR 226 N -0.44 0.58 0.01 -0.71 2.01 -0.45 -0.94 115.64 115.70 3d3i s THR 226 Ca 0.06 -0.30 0.06 0.00 0.31 0.00 0.00 61.69 61.81 3d3i s THR 226 Cb -0.06 -0.49 -0.03 0.00 0.01 0.00 0.00 72.50 71.92 3d3i s THR 226 CO -0.00 0.17 -0.16 0.42 -0.69 0.00 0.00 174.62 174.36 3d3i s THR 227 N -0.11 2.97 -0.12 -0.82 -4.23 0.27 -0.37 115.64 113.23 3d3i s THR 227 Ca 0.02 -1.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.55 3d3i s THR 227 Cb -0.04 -2.23 0.01 0.00 1.34 0.00 0.00 72.50 71.59 3d3i s THR 227 CO -0.00 0.42 -0.18 -0.31 -0.54 0.00 0.00 174.62 174.00 3d3i s TYR 228 N -0.88 2.27 -0.04 3.99 2.02 -0.52 -1.89 117.35 122.30 3d3i s TYR 228 Ca 0.14 -1.09 0.01 0.00 -0.37 0.00 0.00 57.07 55.76 3d3i s TYR 228 Cb -0.11 -1.59 0.02 0.00 -0.40 0.00 0.00 41.96 39.89 3d3i s TYR 228 CO 0.04 -0.52 -0.05 -1.12 -1.57 0.00 0.00 175.55 172.33 3d3i s SER 229 N 0.87 0.97 -0.33 2.29 0.01 -0.48 -0.85 113.70 116.18 3d3i s SER 229 Ca -0.08 -0.14 -0.08 0.00 1.31 0.00 0.00 55.95 56.97 3d3i s SER 229 Cb -0.15 -0.46 0.02 0.00 0.21 0.00 0.00 66.02 65.64 3d3i s SER 229 CO -0.01 -0.04 0.12 -2.28 0.41 0.00 0.00 173.24 171.44 3d3i s HIS 230 N 0.83 3.21 -0.18 2.43 2.46 -1.07 -0.72 115.29 122.25 3d3i s HIS 230 Ca -0.12 -1.14 -0.02 0.00 0.47 0.00 0.00 55.06 54.26 3d3i s HIS 230 Cb -0.14 -2.31 -0.01 0.00 -0.13 0.00 0.00 32.58 29.99 3d3i s HIS 230 CO 0.01 -0.65 -0.10 -0.51 -2.47 0.00 0.00 174.74 171.02 3d3i s LEU 231 N 1.48 2.74 0.02 8.88 1.43 -0.23 -4.76 118.68 128.24 3d3i s LEU 231 Ca 0.01 -0.39 0.25 0.00 -1.03 0.00 0.00 54.13 52.96 3d3i s LEU 231 Cb -0.19 -1.66 0.44 0.00 0.03 0.00 0.00 46.19 44.81 3d3i s LEU 231 CO 0.04 0.06 1.36 0.18 0.23 0.00 0.00 176.35 178.22 3d3i n LEU 232 N 4.24 0.55 -4.08 1.79 4.32 -1.26 -0.56 117.00 121.99 3d3i n LEU 232 Ca -0.18 0.03 -0.09 0.00 -0.02 0.00 0.00 56.01 55.74 3d3i n LEU 232 Cb 0.51 -0.22 -0.09 0.00 -1.62 0.00 0.00 43.42 42.00 3d3i n LEU 232 CO 0.29 0.09 -0.23 0.42 -1.22 0.00 0.00 177.39 176.75 3d3i s THR 233 N -3.04 0.11 0.25 -5.08 -4.23 -1.26 -3.97 115.64 98.42 3d3i s THR 233 Ca 0.10 -1.74 -0.06 0.00 -1.18 0.00 0.00 61.69 58.81 3d3i s THR 233 Cb 0.17 -1.90 0.23 0.00 1.34 0.00 0.00 72.50 72.34 3d3i s THR 233 CO 0.71 -0.49 1.89 0.00 -0.54 0.00 0.00 174.62 176.19 3d3i h ALA 234 N 2.81 1.24 -0.66 3.99 0.00 -1.93 -1.01 119.26 123.70 3d3i h ALA 234 Ca -0.34 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 3d3i h ALA 234 Cb 1.20 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 3d3i h ALA 234 CO 0.57 0.65 0.27 1.96 0.00 0.00 0.00 179.25 182.70 3d3i h GLN 235 N 1.27 0.98 -0.70 0.00 7.50 -1.96 -1.72 115.11 120.47 3d3i h GLN 235 Ca 0.33 -0.17 -0.07 0.00 0.50 0.00 0.00 58.65 59.24 3d3i h GLN 235 Cb -0.05 -0.16 -0.03 0.00 0.05 0.00 0.00 27.48 27.29 3d3i h GLN 235 CO -0.06 0.81 0.18 0.93 -1.50 0.00 0.00 178.83 179.19 3d3i h GLU 236 N 0.92 1.11 -0.42 1.46 5.08 -1.79 -1.36 114.58 119.58 3d3i h GLU 236 Ca 0.22 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3d3i h GLU 236 Cb 0.19 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3d3i h GLU 236 CO -0.02 0.97 0.26 0.28 -1.00 0.00 0.00 179.01 179.50 3d3i h VAL 237 N 1.06 1.13 0.01 3.13 2.07 -0.80 -1.56 116.25 121.28 3d3i h VAL 237 Ca 0.22 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 3d3i h VAL 237 Cb 0.35 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3d3i h VAL 237 CO -0.00 0.13 -0.01 0.28 0.02 0.00 0.00 177.57 177.99 3d3i h SER 238 N 0.56 -0.01 -0.41 0.57 0.02 -1.12 -3.22 113.55 109.94 3d3i h SER 238 Ca 0.15 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 3d3i h SER 238 Cb -0.02 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 3d3i h SER 238 CO -0.03 0.25 0.26 0.50 -1.14 0.00 0.00 176.83 176.67 3d3i h LYS 239 N -0.27 0.56 0.00 3.45 3.64 -1.17 -2.93 116.57 119.85 3d3i h LYS 239 Ca -0.00 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 3d3i h LYS 239 Cb 0.26 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3d3i h LYS 239 CO 0.00 0.38 -0.12 1.49 -2.27 0.00 0.00 179.45 178.94 3d3i h GLU 240 N 0.58 0.00 -0.92 1.90 4.57 -1.29 -3.35 114.58 116.06 3d3i h GLU 240 Ca 0.15 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 3d3i h GLU 240 Cb -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 3d3i h GLU 240 CO -0.03 0.12 0.00 1.04 -1.18 0.00 0.00 179.01 178.96 3d3i n GLN 241 N -3.20 0.00 0.00 1.92 1.13 -1.11 -0.77 117.38 115.35 3d3i n GLN 241 Ca 0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 3d3i n GLN 241 Cb 0.44 -1.11 0.00 0.00 0.11 0.00 0.00 30.24 29.68 3d3i n GLN 241 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3d3i n GLN 243 N 0.66 0.00 -0.30 -1.09 1.13 -1.26 -1.75 117.38 114.78 3d3i n GLN 243 Ca 0.00 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 55.03 3d3i n GLN 243 Cb 0.00 0.00 0.09 0.00 0.11 0.00 0.00 30.24 30.44 3d3i n GLN 243 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 3d3i h ILE 244 N 0.00 1.17 -0.52 5.09 1.08 -1.31 0.10 117.51 123.13 3d3i h ILE 244 Ca 0.00 -0.37 -0.01 0.00 -0.39 0.00 0.00 64.86 64.09 3d3i h ILE 244 Cb 0.00 0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 33.73 3d3i h ILE 244 CO 0.00 0.20 0.27 0.03 -0.69 0.00 0.00 178.15 177.96 3d3i h ARG 245 N 1.07 0.73 -0.55 2.37 3.08 -1.60 -1.10 114.38 118.39 3d3i h ARG 245 Ca 0.31 -0.09 -0.07 0.00 0.07 0.00 0.00 59.98 60.20 3d3i h ARG 245 Cb -0.06 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 3d3i h ARG 245 CO -0.09 0.58 0.05 -0.44 -1.07 0.00 0.00 179.97 179.00 3d3i h ASP 246 N 0.69 0.85 -0.21 7.04 3.32 -1.69 -1.97 116.42 124.45 3d3i h ASP 246 Ca 0.18 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 3d3i h ASP 246 Cb 0.07 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 3d3i h ASP 246 CO -0.03 0.88 0.06 0.40 -1.72 0.00 0.00 179.24 178.84 3d3i h ILE 247 N 0.84 1.20 0.00 0.35 2.04 -0.67 -2.17 117.51 119.10 3d3i h ILE 247 Ca 0.17 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.40 3d3i h ILE 247 Cb 0.43 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 3d3i h ILE 247 CO 0.01 0.20 0.00 -0.07 0.00 0.00 0.00 178.15 178.29 3d3i h LEU 248 N 0.17 0.00 0.00 1.44 3.38 -1.06 0.18 115.31 119.43 3d3i h LEU 248 Ca 0.07 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 3d3i h LEU 248 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3d3i h LEU 248 CO -0.00 0.00 -0.93 0.00 0.09 0.00 0.00 178.44 177.60 3d3i h ALA 249 N 2.12 0.62 -1.02 1.53 0.00 -1.03 -3.39 119.26 118.09 3d3i h ALA 249 Ca 0.00 -0.26 -0.36 0.00 0.00 0.00 0.00 54.91 54.29 3d3i h ALA 249 Cb 0.41 0.07 -0.36 0.00 0.00 0.00 0.00 17.79 17.91 3d3i h ALA 249 CO 0.00 0.30 -1.07 0.54 0.00 0.00 0.00 179.25 179.02 3d3i n ARG 250 N -2.84 1.11 -0.27 0.00 1.74 -0.85 -4.99 116.66 110.57 3d3i n ARG 250 Ca -0.02 -3.05 0.05 0.00 -0.77 0.00 0.00 57.85 54.06 3d3i n ARG 250 Cb 0.64 -1.17 0.19 0.00 -1.02 0.00 0.00 32.46 31.10 3d3i n ARG 250 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3d3i h PRO 251 N 2.88 0.53 -0.28 5.56 0.13 -1.18 -1.74 132.00 137.90 3d3i h PRO 251 Ca -0.09 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.00 3d3i h PRO 251 Cb 1.15 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 3d3i h PRO 251 CO 0.42 0.35 0.12 0.00 -0.23 0.00 0.00 178.00 178.65 3d3i h ALA 252 N 1.52 1.69 -0.40 -0.56 0.00 -1.94 -1.79 119.26 117.78 3d3i h ALA 252 Ca 0.41 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 55.14 3d3i h ALA 252 Cb 0.57 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3d3i h ALA 252 CO -0.36 0.25 -0.19 0.74 0.00 0.00 0.00 179.25 179.70 3d3i h PHE 253 N 0.39 0.87 -0.21 0.00 0.04 -1.71 -1.31 116.94 115.01 3d3i h PHE 253 Ca 0.10 -0.19 -0.18 0.00 2.80 0.00 0.00 57.97 60.50 3d3i h PHE 253 Cb 0.07 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 38.01 3d3i h PHE 253 CO 0.00 0.90 -0.61 1.88 -0.60 0.00 0.00 178.31 179.89 3d3i h TYR 254 N 0.68 0.89 -0.32 -0.55 0.05 -1.24 -0.76 116.97 115.73 3d3i h TYR 254 Ca 0.10 -0.34 -0.02 0.00 0.05 0.00 0.00 58.73 58.52 3d3i h TYR 254 Cb 0.69 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 38.26 3d3i h TYR 254 CO 0.04 1.13 0.11 -0.07 -1.05 0.00 0.00 178.16 178.31 3d3i h LEU 255 N 0.52 0.46 -0.64 3.88 3.38 -1.22 -1.93 115.31 119.75 3d3i h LEU 255 Ca -0.00 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 3d3i h LEU 255 Cb 1.19 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 3d3i h LEU 255 CO 0.12 0.53 0.34 0.74 0.09 0.00 0.00 178.44 180.26 3d3i h THR 256 N 0.36 1.21 -0.81 0.22 2.02 -1.17 -1.28 112.91 113.46 3d3i h THR 256 Ca 0.10 -0.53 0.02 0.00 0.77 0.00 0.00 66.41 66.77 3d3i h THR 256 Cb 0.22 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 66.99 3d3i h THR 256 CO -0.01 0.23 0.53 0.00 0.37 0.00 0.00 175.52 176.64 3d3i h ALA 257 N 1.16 1.04 -0.15 6.16 0.00 -0.93 0.42 119.26 126.96 3d3i h ALA 257 Ca 0.22 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3d3i h ALA 257 Cb 0.06 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3d3i h ALA 257 CO -0.03 0.39 0.02 1.03 0.00 0.00 0.00 179.25 180.66 3d3i h SER 258 N 1.06 0.25 -0.41 0.00 0.87 -1.07 -1.03 113.55 113.21 3d3i h SER 258 Ca 0.31 -0.27 0.05 0.00 -1.23 0.00 0.00 61.79 60.65 3d3i h SER 258 Cb -0.07 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 61.78 3d3i h SER 258 CO -0.08 0.45 0.15 -0.61 -0.53 0.00 0.00 176.83 176.21 3d3i h GLN 259 N 0.03 0.30 -0.62 2.24 4.15 -0.83 -1.60 115.11 118.78 3d3i h GLN 259 Ca 0.05 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.35 3d3i h GLN 259 Cb 0.32 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 3d3i h GLN 259 CO 0.00 0.20 0.02 1.96 -1.93 0.00 0.00 178.83 179.08 3d3i h GLN 260 N 0.31 1.07 -0.80 1.69 4.20 -0.84 -1.15 115.11 119.59 3d3i h GLN 260 Ca 0.19 -0.33 0.00 0.00 0.06 0.00 0.00 58.65 58.57 3d3i h GLN 260 Cb 0.18 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.81 3d3i h GLN 260 CO -0.19 1.03 0.50 -0.09 -0.67 0.00 0.00 178.83 179.41 3d3i h ARG 261 N 0.98 1.07 -0.03 1.46 2.43 -0.78 -1.58 114.38 117.93 3d3i h ARG 261 Ca 0.18 -0.09 -0.16 0.00 -0.81 0.00 0.00 59.98 59.10 3d3i h ARG 261 Cb 0.54 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 3d3i h ARG 261 CO 0.03 0.74 -0.70 -1.49 -1.51 0.00 0.00 179.97 177.04 3d3i h TRP 262 N 1.09 0.22 -0.40 2.20 4.06 -1.08 -2.12 115.95 119.91 3d3i h TRP 262 Ca 0.29 -0.10 -0.06 0.00 2.06 0.00 0.00 58.89 61.09 3d3i h TRP 262 Cb -0.07 -0.03 -0.02 0.00 -1.00 0.00 0.00 29.16 28.03 3d3i h TRP 262 CO -0.01 0.80 0.01 0.93 -3.56 0.00 0.00 178.44 176.62 3d3i h GLU 263 N 0.11 0.64 -0.42 0.49 4.39 -0.77 -2.09 114.58 116.93 3d3i h GLU 263 Ca -0.02 -0.15 -0.14 0.00 0.34 0.00 0.00 59.36 59.40 3d3i h GLU 263 Cb 1.24 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.79 3d3i h GLU 263 CO 0.10 0.65 -0.28 1.49 -1.16 0.00 0.00 179.01 179.81 3d3i h GLU 264 N 0.61 0.94 -0.47 2.33 4.81 -1.05 0.08 114.58 121.83 3d3i h GLU 264 Ca 0.13 -0.44 0.03 0.00 -0.13 0.00 0.00 59.36 58.95 3d3i h GLU 264 Cb 0.36 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 3d3i h GLU 264 CO 0.01 1.10 0.25 1.88 -0.73 0.00 0.00 179.01 181.53 3d3i h TYR 265 N 0.77 0.46 -0.50 0.92 0.05 -0.99 -0.50 116.97 117.18 3d3i h TYR 265 Ca 0.08 0.02 -0.11 0.00 0.05 0.00 0.00 58.73 58.77 3d3i h TYR 265 Cb 0.87 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.45 3d3i h TYR 265 CO 0.06 0.25 -0.13 -0.07 -1.05 0.00 0.00 178.16 177.21 3d3i h LEU 266 N 0.50 0.97 -0.48 3.88 3.38 -1.23 -0.21 115.31 122.13 3d3i h LEU 266 Ca 0.20 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 3d3i h LEU 266 Cb 0.07 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3d3i h LEU 266 CO -0.12 1.12 0.12 0.50 0.09 0.00 0.00 178.44 180.15 3d3i h LYS 267 N 0.82 0.76 -0.14 1.13 1.63 -0.69 -0.74 116.57 119.34 3d3i h LYS 267 Ca 0.12 -0.18 -0.19 0.00 -0.85 0.00 0.00 60.65 59.56 3d3i h LYS 267 Cb 0.70 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 32.23 3d3i h LYS 267 CO 0.05 0.74 -0.69 0.87 -3.45 0.00 0.00 179.45 176.97 3d3i h LYS 268 N 0.64 0.59 0.19 1.90 1.57 -1.06 -3.37 116.57 117.03 3d3i h LYS 268 Ca 0.15 -0.44 -0.33 0.00 -1.87 0.00 0.00 60.65 58.16 3d3i h LYS 268 Cb 0.31 0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.72 3d3i h LYS 268 CO 0.00 1.06 -1.58 0.78 -0.57 0.00 0.00 179.45 179.14 3d3i h GLY 269 N 0.98 0.46 -7.33 3.86 0.00 -0.95 -3.41 103.07 96.67 3d3i h GLY 269 Ca -0.02 -1.17 -0.74 0.00 0.00 0.00 0.00 47.33 45.40 3d3i h GLY 269 CO 0.13 1.02 1.61 1.04 0.00 0.00 0.00 176.54 180.34 3d3i n LEU 270 N -3.59 5.65 -0.71 3.11 4.77 -0.29 -4.71 117.00 121.22 3d3i n LEU 270 Ca -0.19 -4.49 0.07 0.00 -0.03 0.00 0.00 56.01 51.36 3d3i n LEU 270 Cb 1.07 -1.58 0.19 0.00 -2.33 0.00 0.00 43.42 40.77 3d3i n LEU 270 CO 0.54 0.90 0.65 0.35 -1.33 0.00 0.00 177.39 178.51 3d3i n THR 271 N 4.31 1.44 -3.19 -5.08 -2.24 -1.26 -4.89 114.28 103.38 3d3i n THR 271 Ca 0.38 -1.30 -0.45 0.00 -2.27 0.00 0.00 64.05 60.41 3d3i n THR 271 Cb 0.41 0.24 -0.04 0.00 -2.10 0.00 0.00 70.33 68.83 3d3i n THR 271 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3d3i s ASN 272 N -1.32 6.25 0.00 3.42 2.47 -1.26 -4.91 114.94 119.59 3d3i s ASN 272 Ca 0.29 -1.68 0.17 0.00 0.42 0.00 0.00 52.86 52.05 3d3i s ASN 272 Cb 0.19 -2.27 0.73 0.00 -1.45 0.00 0.00 41.25 38.45 3d3i s ASN 272 CO 0.13 -0.98 1.52 -0.81 -3.72 0.00 0.00 177.10 173.24 3d3i n PRO 273 N 5.78 0.04 -0.17 0.43 -0.04 -1.26 -2.83 135.00 136.95 3d3i n PRO 273 Ca -0.08 0.20 0.11 0.00 -0.04 0.00 0.00 63.50 63.69 3d3i n PRO 273 Cb 0.42 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.58 3d3i n PRO 273 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3d3i n ASP 274 N -1.47 3.30 -4.83 3.54 8.00 -1.26 -4.97 116.55 118.87 3d3i n ASP 274 Ca 0.05 -1.95 -0.33 0.00 0.71 0.00 0.00 54.79 53.27 3d3i n ASP 274 Cb 0.18 -0.23 -0.07 0.00 -0.02 0.00 0.00 41.12 40.99 3d3i n ASP 274 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3d3i s ALA 275 N -1.40 3.11 0.68 2.24 0.00 -1.13 -0.18 121.76 125.09 3d3i s ALA 275 Ca 0.35 0.32 -0.10 0.00 0.00 0.00 0.00 51.96 52.53 3d3i s ALA 275 Cb 0.21 -3.06 0.01 0.00 0.00 0.00 0.00 23.12 20.28 3d3i s ALA 275 CO 0.29 0.18 1.06 0.95 0.00 0.00 0.00 175.76 178.23 3d3i s THR 276 N -2.12 3.50 0.36 0.00 -4.23 -1.26 -4.80 115.64 107.09 3d3i s THR 276 Ca 0.60 0.37 0.07 0.00 -1.18 0.00 0.00 61.69 61.55 3d3i s THR 276 Cb -0.09 -3.46 0.30 0.00 1.34 0.00 0.00 72.50 70.58 3d3i s THR 276 CO 0.14 -0.59 1.94 -0.65 -0.54 0.00 0.00 174.62 174.92 3d3i h PRO 277 N -0.56 0.70 -0.59 3.99 0.11 -1.99 -0.42 132.00 133.24 3d3i h PRO 277 Ca -0.45 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 3d3i h PRO 277 Cb 1.26 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3d3i h PRO 277 CO 0.63 0.46 0.06 0.93 -0.21 0.00 0.00 178.00 179.87 3d3i h GLU 278 N 0.72 1.01 -0.18 1.05 3.07 -1.99 -1.30 114.58 116.95 3d3i h GLU 278 Ca 0.35 -0.29 -0.16 0.00 -0.50 0.00 0.00 59.36 58.75 3d3i h GLU 278 Cb 0.40 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 3d3i h GLU 278 CO -0.13 0.97 -0.55 1.96 -1.40 0.00 0.00 179.01 179.87 3d3i h GLN 279 N 0.91 0.55 -0.64 2.33 4.20 -1.66 -2.75 115.11 118.04 3d3i h GLN 279 Ca 0.18 -0.34 -0.08 0.00 0.06 0.00 0.00 58.65 58.46 3d3i h GLN 279 Cb 0.48 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 3d3i h GLN 279 CO 0.02 0.95 0.09 1.15 -0.67 0.00 0.00 178.83 180.37 3d3i h THR 280 N 0.42 1.26 -0.51 -0.54 2.02 -0.94 -2.49 112.91 112.14 3d3i h THR 280 Ca 0.01 -1.04 -0.01 0.00 0.77 0.00 0.00 66.41 66.14 3d3i h THR 280 Cb 1.09 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 3d3i h THR 280 CO 0.10 0.39 0.28 -0.09 0.37 0.00 0.00 175.52 176.57 3d3i h ARG 281 N 0.99 0.70 -0.65 6.66 2.43 -1.11 -0.67 114.38 122.72 3d3i h ARG 281 Ca 0.19 -0.07 -0.09 0.00 -0.81 0.00 0.00 59.98 59.21 3d3i h ARG 281 Cb 0.45 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 3d3i h ARG 281 CO 0.01 0.51 0.07 0.28 -1.51 0.00 0.00 179.97 179.34 3d3i h VAL 282 N 0.71 1.26 -0.80 0.20 2.07 -1.16 0.11 116.25 118.64 3d3i h VAL 282 Ca 0.18 -1.08 -0.05 0.00 0.82 0.00 0.00 66.70 66.58 3d3i h VAL 282 Cb 0.02 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 3d3i h VAL 282 CO -0.03 0.40 0.32 0.00 0.02 0.00 0.00 177.57 178.29 3d3i h ALA 283 N 1.04 1.06 -0.60 1.67 0.00 -0.83 -0.95 119.26 120.65 3d3i h ALA 283 Ca 0.20 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3d3i h ALA 283 Cb 0.48 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3d3i h ALA 283 CO 0.02 0.67 -0.02 0.28 0.00 0.00 0.00 179.25 180.20 3d3i h VAL 284 N 1.16 1.27 -0.88 0.00 2.07 -0.71 -0.89 116.25 118.27 3d3i h VAL 284 Ca 0.27 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 3d3i h VAL 284 Cb 0.21 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 3d3i h VAL 284 CO -0.02 0.42 0.50 0.50 0.02 0.00 0.00 177.57 178.99 3d3i h LYS 285 N 0.96 1.21 -0.65 1.57 3.64 -0.47 -0.01 116.57 122.82 3d3i h LYS 285 Ca 0.17 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 3d3i h LYS 285 Cb 0.58 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 3d3i h LYS 285 CO 0.03 0.87 0.30 0.00 -2.27 0.00 0.00 179.45 178.39 3d3i h ALA 286 N 1.27 0.84 -0.27 5.00 0.00 -0.69 -0.12 119.26 125.30 3d3i h ALA 286 Ca 0.31 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3d3i h ALA 286 Cb -0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3d3i h ALA 286 CO -0.05 0.42 0.09 0.82 0.00 0.00 0.00 179.25 180.52 3d3i h ILE 287 N 0.90 1.19 -0.86 0.00 2.04 -0.58 -1.00 117.51 119.21 3d3i h ILE 287 Ca 0.22 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 3d3i h ILE 287 Cb 0.14 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 3d3i h ILE 287 CO -0.03 0.20 0.50 -0.33 0.00 0.00 0.00 178.15 178.50 3d3i h GLU 288 N 0.28 1.18 0.14 2.37 5.08 -0.78 -1.56 114.58 121.30 3d3i h GLU 288 Ca 0.09 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3d3i h GLU 288 Cb 0.23 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3d3i h GLU 288 CO -0.00 0.84 -0.07 1.15 -1.00 0.00 0.00 179.01 179.93 3d3i h THR 289 N 1.19 0.97 -0.60 1.13 2.02 -0.78 -1.44 112.91 115.40 3d3i h THR 289 Ca 0.31 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 3d3i h THR 289 Cb -0.01 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 3d3i h THR 289 CO -0.05 0.12 0.34 -0.07 0.37 0.00 0.00 175.52 176.22 3d3i h LEU 290 N -0.42 0.73 -1.45 2.58 3.38 -1.12 -1.86 115.31 117.15 3d3i h LEU 290 Ca -0.02 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 3d3i h LEU 290 Cb 0.34 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3d3i h LEU 290 CO 0.03 0.60 -0.28 0.78 0.09 0.00 0.00 178.44 179.67 3d3i h ASN 291 N 0.80 0.00 1.15 -0.43 2.35 -1.27 -2.13 115.58 116.05 3d3i h ASN 291 Ca 0.21 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.88 3d3i h ASN 291 Cb 0.02 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 3d3i h ASN 291 CO -0.04 0.28 -0.38 1.23 -1.65 0.00 0.00 177.43 176.87 3d3i h GLY 292 N 0.88 0.00 -0.63 2.83 0.00 -0.69 -3.02 103.07 102.44 3d3i h GLY 292 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3d3i h GLY 292 CO 0.04 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.28 3d3i n ASN 293 N -3.36 1.60 -4.71 0.19 3.02 -0.75 -4.75 115.26 106.49 3d3i n ASN 293 Ca 0.01 -1.59 -0.41 0.00 -0.03 0.00 0.00 54.58 52.56 3d3i n ASN 293 Cb 0.58 -0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 39.67 3d3i n ASN 293 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3d3i s TRP 294 N -1.92 3.64 0.00 3.10 -0.00 -1.05 -1.52 118.94 121.20 3d3i s TRP 294 Ca 0.36 1.58 0.08 0.00 -0.00 0.00 0.00 56.10 58.12 3d3i s TRP 294 Cb 0.20 -3.04 -0.02 0.00 -0.00 0.00 0.00 33.47 30.60 3d3i s TRP 294 CO 0.31 0.01 -0.25 1.03 -0.00 0.00 0.00 176.95 178.05 3d3i s ARG 295 N 0.98 1.93 0.90 5.86 1.81 0.95 -3.67 118.95 127.71 3d3i s ARG 295 Ca 0.48 -0.96 -0.13 0.00 -1.72 0.00 0.00 55.73 53.40 3d3i s ARG 295 Cb -0.20 -1.94 0.13 0.00 -0.45 0.00 0.00 34.95 32.49 3d3i s ARG 295 CO 0.25 0.52 1.18 -1.54 -0.68 0.00 0.00 175.30 175.04 3d3i s SER 296 N -0.82 3.67 0.45 0.23 1.04 0.39 -0.58 113.70 118.09 3d3i s SER 296 Ca 0.10 0.76 -0.23 0.00 0.48 0.00 0.00 55.95 57.06 3d3i s SER 296 Cb -0.10 -1.20 -0.09 0.00 0.10 0.00 0.00 66.02 64.72 3d3i s SER 296 CO 0.00 -2.43 1.01 -2.65 0.98 0.00 0.00 173.24 170.16 3d3i n PRO 297 N -3.65 1.32 -3.64 4.02 -0.02 -1.25 -4.69 135.00 127.08 3d3i n PRO 297 Ca 0.09 0.48 -0.08 0.00 -2.02 0.00 0.00 63.50 61.96 3d3i n PRO 297 Cb 0.60 -2.09 -0.07 0.00 -0.02 0.00 0.00 33.50 31.92 3d3i n PRO 297 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3d3i s GLY 298 N -0.81 -0.57 0.00 -1.23 0.00 -0.31 -4.99 107.32 99.40 3d3i s GLY 298 Ca 0.65 2.38 0.00 0.00 0.00 0.00 0.00 44.72 47.75 3d3i s GLY 298 CO 0.55 2.26 0.00 0.61 0.00 0.00 0.00 173.10 176.52 3d3i n GLY 299 N 3.87 3.48 0.20 0.20 0.00 -1.26 -1.98 105.19 109.71 3d3i n GLY 299 Ca -0.18 -0.11 0.15 0.00 0.00 0.00 0.00 46.02 45.88 3d3i n GLY 299 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d3i h ALA 300 N -0.91 1.00 -2.10 4.61 0.00 -1.13 -3.41 119.26 117.32 3d3i h ALA 300 Ca 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.26 3d3i h ALA 300 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.64 3d3i h ALA 300 CO 0.00 0.00 0.22 0.08 0.00 0.00 0.00 179.25 179.55 3d3i s VAL 301 N -3.49 4.74 -1.87 0.00 1.01 -0.84 -4.92 120.40 115.05 3d3i s VAL 301 Ca 0.03 0.15 0.11 0.00 0.00 0.00 0.00 61.98 62.27 3d3i s VAL 301 Cb 0.09 -4.28 0.34 0.00 0.00 0.00 0.00 36.38 32.53 3d3i s VAL 301 CO 0.47 -0.70 1.26 0.29 0.00 0.00 0.00 175.10 176.43 3d3i n LYS 302 N 6.49 1.98 -4.27 2.72 4.76 -1.26 -1.17 118.16 127.42 3d3i n LYS 302 Ca -0.01 -1.38 -0.15 0.00 -2.87 0.00 0.00 58.31 53.90 3d3i n LYS 302 Cb 0.48 -1.35 -0.10 0.00 -1.84 0.00 0.00 35.03 32.22 3d3i n LYS 302 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3d3i s PHE 303 N -1.53 1.35 0.57 2.13 0.08 -1.26 -4.84 117.98 114.48 3d3i s PHE 303 Ca 0.25 -0.73 -0.19 0.00 0.12 0.00 0.00 56.93 56.38 3d3i s PHE 303 Cb 0.14 -0.68 -0.05 0.00 -0.57 0.00 0.00 43.02 41.87 3d3i s PHE 303 CO 0.16 0.13 1.19 -0.80 -0.10 0.00 0.00 175.22 175.80 3d3i s ASN 304 N -3.20 5.41 0.32 1.36 0.01 -1.26 -3.74 114.94 113.84 3d3i s ASN 304 Ca 0.18 2.33 -0.04 0.00 -0.71 0.00 0.00 52.86 54.63 3d3i s ASN 304 Cb 0.02 -2.59 -0.00 0.00 0.41 0.00 0.00 41.25 39.08 3d3i s ASN 304 CO 0.02 -1.44 0.44 0.28 -1.51 0.00 0.00 177.10 174.89 3d3i s THR 305 N -1.63 0.00 -0.04 1.60 -1.32 0.25 -3.28 115.64 111.22 3d3i s THR 305 Ca 0.75 -1.62 0.01 0.00 -1.21 0.00 0.00 61.69 59.62 3d3i s THR 305 Cb -0.29 -2.56 0.02 0.00 -1.51 0.00 0.00 72.50 68.17 3d3i s THR 305 CO 0.32 0.00 -0.03 -0.69 -2.21 0.00 0.00 174.62 172.01 3d3i s VAL 306 N -3.31 0.39 0.36 5.08 1.01 -1.26 -0.03 120.40 122.65 3d3i s VAL 306 Ca 0.30 -0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.31 3d3i s VAL 306 Cb 0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 36.38 35.93 3d3i s VAL 306 CO 0.18 0.19 0.43 0.42 0.00 0.00 0.00 175.10 176.33 3d3i s THR 307 N 0.92 3.52 0.46 3.92 -4.23 -0.57 -4.77 115.64 114.88 3d3i s THR 307 Ca -0.11 -1.14 0.12 0.00 -1.18 0.00 0.00 61.69 59.38 3d3i s THR 307 Cb -0.14 -3.21 0.25 0.00 1.34 0.00 0.00 72.50 70.74 3d3i s THR 307 CO -0.00 -0.11 2.08 -0.65 -0.54 0.00 0.00 174.62 175.40 3d3i h PRO 308 N 0.95 0.24 -0.99 3.99 0.11 -1.77 -3.42 132.00 131.11 3d3i h PRO 308 Ca -0.44 -0.02 0.18 0.00 0.11 0.00 0.00 66.00 65.83 3d3i h PRO 308 Cb 1.26 -0.05 -0.26 0.00 0.11 0.00 0.00 31.00 32.06 3d3i h PRO 308 CO 0.53 0.19 0.38 0.45 -0.21 0.00 0.00 178.00 179.34 3d3i s SER 309 N -6.89 -0.41 0.56 -2.05 0.15 -1.22 0.23 113.70 104.06 3d3i s SER 309 Ca -0.06 0.59 0.33 0.00 0.70 0.00 0.00 55.95 57.50 3d3i s SER 309 Cb 0.17 1.37 1.60 0.00 -1.71 0.00 0.00 66.02 67.45 3d3i s SER 309 CO 0.70 -0.09 2.10 1.62 1.20 0.00 0.00 173.24 178.77 3d3i h VAL 310 N 5.24 0.29 -0.02 4.45 3.04 -1.79 -2.39 116.25 125.07 3d3i h VAL 310 Ca -0.20 -0.46 0.00 0.00 -1.01 0.00 0.00 66.70 65.04 3d3i h VAL 310 Cb 1.14 1.35 0.00 0.00 -2.01 0.00 0.00 31.29 31.77 3d3i h VAL 310 CO 0.12 0.07 -0.18 0.35 -1.01 0.00 0.00 177.57 176.92 3d3i n THR 311 N -3.36 0.00 -2.24 3.17 -2.24 -1.26 -4.64 114.28 103.71 3d3i n THR 311 Ca -0.01 -0.41 -0.35 0.00 -2.27 0.00 0.00 64.05 61.00 3d3i n THR 311 Cb 0.23 1.39 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 3d3i n THR 311 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3d3i s GLY 312 N -2.11 2.67 0.25 3.38 0.00 -0.91 -1.57 107.32 109.04 3d3i s GLY 312 Ca 0.23 0.86 -0.05 0.00 0.00 0.00 0.00 44.72 45.77 3d3i s GLY 312 CO 0.39 1.24 1.85 -0.09 0.00 0.00 0.00 173.10 176.49 3d3i h ARG 313 N 1.33 1.11 0.00 2.90 9.65 -1.89 -3.27 114.38 124.21 3d3i h ARG 313 Ca -0.50 -0.16 0.00 0.00 -1.10 0.00 0.00 59.98 58.22 3d3i h ARG 313 Cb 1.26 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 29.64 3d3i h ARG 313 CO 0.57 0.85 -0.00 0.91 2.80 0.00 0.00 179.97 185.11 3d3i n TRP 314 N -4.32 0.00 -0.03 2.20 7.02 -1.26 -4.72 117.44 116.33 3d3i n TRP 314 Ca 0.08 -0.41 0.04 0.00 -1.02 0.00 0.00 57.50 56.18 3d3i n TRP 314 Cb 0.14 -0.04 0.08 0.00 -2.42 0.00 0.00 31.31 29.07 3d3i n TRP 314 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 3d3i n PHE 315 N -0.41 0.24 -1.22 -5.99 3.72 -1.23 -5.01 117.46 107.56 3d3i n PHE 315 Ca 0.00 -0.40 0.00 0.00 -0.05 0.00 0.00 57.45 57.00 3d3i n PHE 315 Cb 0.31 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 3d3i n PHE 315 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3d3i n SER 316 N 0.20 0.00 0.00 4.37 2.88 -1.16 -3.43 113.62 116.48 3d3i n SER 316 Ca 0.07 -0.38 0.00 0.00 -1.33 0.00 0.00 58.87 57.23 3d3i n SER 316 Cb 0.33 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 3d3i n SER 316 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3d3i n GLY 317 N 5.00 2.90 0.84 0.46 0.00 -1.24 -2.47 105.19 110.67 3d3i n GLY 317 Ca 0.00 -0.38 0.02 0.00 0.00 0.00 0.00 46.02 45.66 3d3i n GLY 317 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3d3i n ASN 318 N 1.39 2.18 -4.69 1.61 6.94 -1.21 -4.86 115.26 116.61 3d3i n ASN 318 Ca 0.00 -3.77 -0.42 0.00 -0.02 0.00 0.00 54.58 50.37 3d3i n ASN 318 Cb 0.00 -0.57 -0.03 0.00 -2.36 0.00 0.00 39.78 36.82 3d3i n ASN 318 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 3d3i s GLN 319 N -3.21 4.15 -0.02 -3.83 -0.21 -1.03 -4.58 119.66 110.92 3d3i s GLN 319 Ca 0.41 2.55 0.04 0.00 0.02 0.00 0.00 55.36 58.38 3d3i s GLN 319 Cb 0.38 -3.55 -0.01 0.00 1.00 0.00 0.00 33.01 30.83 3d3i s GLN 319 CO -0.03 -0.81 -0.14 0.99 -2.12 0.00 0.00 175.29 173.18 3d3i s THR 320 N 2.59 1.15 0.12 -0.19 2.01 -0.31 -4.37 115.64 116.63 3d3i s THR 320 Ca 0.79 -0.59 0.10 0.00 0.31 0.00 0.00 61.69 62.30 3d3i s THR 320 Cb -0.45 -0.97 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 3d3i s THR 320 CO 0.35 0.33 -0.25 0.26 -0.69 0.00 0.00 174.62 174.62 3d3i s TRP 321 N -0.14 2.36 0.04 4.92 0.51 -1.26 -2.02 118.94 123.35 3d3i s TRP 321 Ca 0.01 -0.36 -0.24 0.00 -2.12 0.00 0.00 56.10 53.39 3d3i s TRP 321 Cb -0.08 -1.29 -0.17 0.00 -0.81 0.00 0.00 33.47 31.12 3d3i s TRP 321 CO 0.00 0.32 1.50 -1.35 -0.51 0.00 0.00 176.95 176.92 3d3i h PRO 322 N 3.96 0.02 -0.36 4.98 0.11 -1.79 -2.32 132.00 136.61 3d3i h PRO 322 Ca -0.50 -0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.68 3d3i h PRO 322 Cb 1.17 -0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.19 3d3i h PRO 322 CO 0.41 0.26 -0.18 2.35 -0.21 0.00 0.00 178.00 180.63 3d3i h TRP 323 N -0.23 -0.45 -0.53 0.65 -0.00 -1.91 -0.95 115.95 112.52 3d3i h TRP 323 Ca 0.00 0.04 -0.03 0.00 -0.00 0.00 0.00 58.89 58.91 3d3i h TRP 323 Cb 0.25 0.25 -0.02 0.00 -0.00 0.00 0.00 29.16 29.64 3d3i h TRP 323 CO 0.01 -0.26 0.24 -0.44 -0.00 0.00 0.00 178.44 177.99 3d3i h ASP 324 N -0.12 0.72 -0.79 2.65 3.32 -1.97 -3.03 116.42 117.21 3d3i h ASP 324 Ca 0.18 -0.15 0.07 0.00 0.02 0.00 0.00 57.03 57.15 3d3i h ASP 324 Cb 0.40 -0.19 -0.06 0.00 0.22 0.00 0.00 39.33 39.70 3d3i h ASP 324 CO -0.44 0.67 0.46 0.74 -1.72 0.00 0.00 179.24 178.96 3d3i h THR 325 N 0.72 0.99 -0.30 0.35 2.02 -0.70 0.12 112.91 116.10 3d3i h THR 325 Ca 0.18 -0.29 0.03 0.00 0.77 0.00 0.00 66.41 67.10 3d3i h THR 325 Cb 0.16 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 66.62 3d3i h THR 325 CO -0.02 0.15 0.13 -0.50 0.37 0.00 0.00 175.52 175.65 3d3i h TRP 326 N 0.84 0.24 -0.15 3.16 -0.00 -1.09 0.50 115.95 119.44 3d3i h TRP 326 Ca 0.35 0.01 -0.18 0.00 -0.00 0.00 0.00 58.89 59.07 3d3i h TRP 326 Cb 0.21 -0.06 -0.00 0.00 -0.00 0.00 0.00 29.16 29.31 3d3i h TRP 326 CO -0.05 0.12 -0.65 1.57 -0.00 0.00 0.00 178.44 179.43 3d3i h LYS 327 N 0.28 0.58 -0.27 0.49 2.10 -1.48 -2.09 116.57 116.18 3d3i h LYS 327 Ca 0.13 -0.42 -0.01 0.00 -2.00 0.00 0.00 60.65 58.36 3d3i h LYS 327 Cb 0.07 0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 31.46 3d3i h LYS 327 CO -0.11 1.04 0.14 1.96 -2.00 0.00 0.00 179.45 180.48 3d3i h GLN 328 N 0.42 0.38 -0.23 0.07 4.20 -0.42 -2.55 115.11 116.98 3d3i h GLN 328 Ca -0.02 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.54 3d3i h GLN 328 Cb 1.23 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 3d3i h GLN 328 CO 0.12 0.35 -0.32 0.00 -0.67 0.00 0.00 178.83 178.30 3d3i h ALA 329 N 1.01 1.01 -0.32 3.87 0.00 -0.92 -2.96 119.26 120.95 3d3i h ALA 329 Ca 0.09 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.63 3d3i h ALA 329 Cb 0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3d3i h ALA 329 CO -0.01 0.60 0.19 0.35 0.00 0.00 0.00 179.25 180.37 3d3i h PHE 330 N 0.42 0.35 0.00 0.00 3.57 -1.20 -0.41 116.94 119.67 3d3i h PHE 330 Ca 0.05 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.56 3d3i h PHE 330 Cb 0.77 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.40 3d3i h PHE 330 CO 0.03 0.21 0.00 0.00 -2.23 0.00 0.00 178.31 176.32 3d3i n ALA 331 N -2.21 1.98 0.00 2.41 0.00 -0.97 -4.26 120.51 117.46 3d3i n ALA 331 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3d3i n ALA 331 Cb 0.05 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.50 3d3i n ALA 331 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d3i n ALA 333 N 0.63 0.00 1.69 0.00 0.00 -0.16 -4.20 120.51 118.46 3d3i n ALA 333 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 3d3i n ALA 333 Cb 0.24 0.00 0.75 0.00 0.00 0.00 0.00 19.45 20.44 3d3i n ALA 333 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3d3i n HIS 334 N -0.04 0.00 0.00 0.00 8.25 -1.26 -4.12 115.22 118.05 3d3i n HIS 334 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3d3i n HIS 334 Cb 0.00 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.04 3d3i n HIS 334 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 3d3i n PHE 335 N -0.74 0.00 -3.18 4.41 1.16 -1.26 -3.26 117.46 114.59 3d3i n PHE 335 Ca 0.20 0.00 -0.20 0.00 -1.87 0.00 0.00 57.45 55.58 3d3i n PHE 335 Cb 0.22 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.05 3d3i n PHE 335 CO 0.00 0.00 0.00 -1.71 -1.87 0.00 0.00 176.76 173.18 3d3i n ASN 336 N -0.30 0.93 -0.13 5.98 2.85 -1.26 -4.48 115.26 118.85 3d3i n ASN 336 Ca 0.00 -2.99 0.11 0.00 -0.11 0.00 0.00 54.58 51.60 3d3i n ASN 336 Cb 0.00 -0.62 0.47 0.00 1.24 0.00 0.00 39.78 40.86 3d3i n ASN 336 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3d3i h PRO 337 N 3.21 0.48 -0.67 1.20 0.13 -1.94 -2.12 132.00 132.28 3d3i h PRO 337 Ca 0.10 -0.03 0.05 0.00 -0.87 0.00 0.00 66.00 65.25 3d3i h PRO 337 Cb 0.93 -0.11 -0.05 0.00 0.13 0.00 0.00 31.00 31.90 3d3i h PRO 337 CO 0.51 0.32 0.40 -0.44 -0.23 0.00 0.00 178.00 178.55 3d3i h ASP 338 N 0.49 0.61 0.96 1.44 3.32 -1.93 -0.88 116.42 120.44 3d3i h ASP 338 Ca 0.31 0.02 -0.16 0.00 0.02 0.00 0.00 57.03 57.21 3d3i h ASP 338 Cb 0.55 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 3d3i h ASP 338 CO -0.10 0.41 -0.78 0.40 -1.72 0.00 0.00 179.24 177.46 3d3i h ILE 339 N 0.75 1.45 -0.47 0.35 1.08 -1.85 -2.27 117.51 116.56 3d3i h ILE 339 Ca 0.29 -2.76 -0.02 0.00 -0.39 0.00 0.00 64.86 61.98 3d3i h ILE 339 Cb 0.12 2.53 -0.02 0.00 -3.07 0.00 0.00 36.82 36.38 3d3i h ILE 339 CO -0.15 0.76 0.20 0.00 -0.69 0.00 0.00 178.15 178.27 3d3i h ALA 340 N 1.22 0.60 -0.34 1.87 0.00 -0.83 0.68 119.26 122.46 3d3i h ALA 340 Ca -0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3d3i h ALA 340 Cb 1.47 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 3d3i h ALA 340 CO 0.10 0.19 0.14 0.87 0.00 0.00 0.00 179.25 180.55 3d3i h LYS 341 N 0.61 0.51 -0.71 0.00 1.57 -1.11 -2.59 116.57 114.85 3d3i h LYS 341 Ca 0.16 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3d3i h LYS 341 Cb 0.16 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 3d3i h LYS 341 CO -0.02 0.49 0.47 0.93 -0.57 0.00 0.00 179.45 180.76 3d3i h GLU 342 N 0.41 0.92 -0.71 3.15 4.39 -1.10 -0.60 114.58 121.05 3d3i h GLU 342 Ca 0.11 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.80 3d3i h GLU 342 Cb 0.17 -0.21 -0.05 0.00 -0.10 0.00 0.00 28.75 28.56 3d3i h GLU 342 CO -0.01 0.61 0.43 -0.97 -1.16 0.00 0.00 179.01 177.91 3d3i h ASN 343 N 0.95 0.68 -0.34 1.42 -1.24 -0.70 0.16 115.58 116.51 3d3i h ASN 343 Ca 0.26 0.01 -0.05 0.00 0.71 0.00 0.00 56.30 57.24 3d3i h ASN 343 Cb -0.10 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 38.81 3d3i h ASN 343 CO -0.06 0.45 0.03 0.40 -1.29 0.00 0.00 177.43 176.96 3d3i h ILE 344 N 0.81 1.25 -0.69 2.57 1.08 -1.05 -2.89 117.51 118.60 3d3i h ILE 344 Ca 0.30 -0.90 0.01 0.00 -0.39 0.00 0.00 64.86 63.88 3d3i h ILE 344 Cb 0.10 1.18 -0.03 0.00 -3.07 0.00 0.00 36.82 34.99 3d3i h ILE 344 CO -0.14 0.30 0.46 0.03 -0.69 0.00 0.00 178.15 178.10 3d3i h ARG 345 N 0.39 0.90 -0.08 2.37 3.08 -0.33 -2.46 114.38 118.25 3d3i h ARG 345 Ca 0.10 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3d3i h ARG 345 Cb 0.40 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 3d3i h ARG 345 CO 0.01 0.60 0.05 0.00 -1.07 0.00 0.00 179.97 179.56 3d3i h ALA 346 N 1.57 0.10 -0.42 0.04 0.00 -0.51 0.12 119.26 120.15 3d3i h ALA 346 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3d3i h ALA 346 Cb -0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3d3i h ALA 346 CO -0.06 -0.40 0.27 0.28 0.00 0.00 0.00 179.25 179.35 3d3i h VAL 347 N 0.09 1.12 0.00 0.00 2.07 -1.34 -2.72 116.25 115.46 3d3i h VAL 347 Ca 0.03 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3d3i h VAL 347 Cb 0.01 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3d3i h VAL 347 CO -0.01 0.11 0.00 -0.26 0.02 0.00 0.00 177.57 177.44 3d3i h PHE 348 N 0.57 0.00 0.00 1.57 0.04 -1.29 -3.20 116.94 114.63 3d3i h PHE 348 Ca 0.15 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.92 3d3i h PHE 348 Cb -0.05 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.10 3d3i h PHE 348 CO -0.04 0.00 -0.04 0.66 -0.60 0.00 0.00 178.31 178.29 3d3i h SER 349 N 0.00 0.00 -0.32 2.17 4.64 -0.43 -1.16 113.55 118.44 3d3i h SER 349 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3d3i h SER 349 Cb 0.69 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.78 3d3i h SER 349 CO 0.00 0.04 0.01 0.79 -0.87 0.00 0.00 176.83 176.80 3d3i n TRP 350 N -3.71 1.15 -1.99 4.77 7.02 -1.21 -4.99 117.44 118.48 3d3i n TRP 350 Ca -0.03 -0.89 -0.41 0.00 -1.02 0.00 0.00 57.50 55.15 3d3i n TRP 350 Cb 0.14 -0.36 -0.02 0.00 -2.42 0.00 0.00 31.31 28.65 3d3i n TRP 350 CO 0.00 0.00 0.00 -1.14 -2.02 0.00 0.00 177.69 174.53 3d3i s GLN 351 N -2.85 4.26 0.17 -0.99 0.74 -0.44 -4.57 119.66 115.98 3d3i s GLN 351 Ca 0.44 2.34 -0.32 0.00 0.05 0.00 0.00 55.36 57.88 3d3i s GLN 351 Cb 0.36 -3.06 -0.10 0.00 1.10 0.00 0.00 33.01 31.30 3d3i s GLN 351 CO 0.10 -0.36 1.62 0.42 -0.55 0.00 0.00 175.29 176.51 3d3i s ILE 352 N -0.69 2.49 0.23 -2.34 -1.09 -0.35 -4.89 121.20 114.55 3d3i s ILE 352 Ca 0.54 0.33 0.07 0.00 -2.23 0.00 0.00 60.65 59.36 3d3i s ILE 352 Cb -0.42 -3.21 -0.04 0.00 -1.58 0.00 0.00 42.46 37.21 3d3i s ILE 352 CO 0.52 0.02 0.13 -1.10 -1.23 0.00 0.00 174.94 173.28 3d3i s GLN 353 N 1.27 2.77 0.24 2.79 -1.52 -1.26 -1.44 119.66 122.50 3d3i s GLN 353 Ca 0.72 -1.08 -0.31 0.00 -1.95 0.00 0.00 55.36 52.73 3d3i s GLN 353 Cb -0.45 -2.49 -0.14 0.00 -0.22 0.00 0.00 33.01 29.71 3d3i s GLN 353 CO 0.32 0.42 1.36 -2.30 -0.25 0.00 0.00 175.29 174.83 3d3i n PRO 354 N -0.88 1.91 -0.88 2.91 -0.02 -1.26 -1.78 135.00 135.00 3d3i n PRO 354 Ca -0.08 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3d3i n PRO 354 Cb 0.57 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 3d3i n PRO 354 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d3i n GLY 355 N 2.04 0.51 3.59 -1.23 0.00 -1.26 -5.00 105.19 103.84 3d3i n GLY 355 Ca 0.12 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 3d3i n GLY 355 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3d3i n ASP 356 N 0.76 1.18 0.14 1.61 2.03 -0.74 -4.87 116.55 116.67 3d3i n ASP 356 Ca 0.00 1.12 0.13 0.00 0.52 0.00 0.00 54.79 56.56 3d3i n ASP 356 Cb 0.00 -1.30 0.46 0.00 -0.72 0.00 0.00 41.12 39.56 3d3i n ASP 356 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3d3i h SER 357 N 1.80 0.00 0.00 1.67 4.64 -1.94 -3.24 113.55 116.48 3d3i h SER 357 Ca -0.41 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.66 3d3i h SER 357 Cb 1.34 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.39 3d3i h SER 357 CO 0.59 0.00 -1.83 0.52 -0.87 0.00 0.00 176.83 175.24 3d3i n VAL 358 N -2.38 0.82 -3.22 0.95 0.31 -1.26 -4.90 118.33 108.65 3d3i n VAL 358 Ca 0.03 -0.22 -0.24 0.00 -0.01 0.00 0.00 64.34 63.90 3d3i n VAL 358 Cb 0.33 -1.59 -0.07 0.00 -0.91 0.00 0.00 33.84 31.59 3d3i n VAL 358 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 3d3i n ARG 359 N -3.55 1.00 0.19 5.55 1.85 -1.26 -4.93 116.66 115.51 3d3i n ARG 359 Ca -0.29 -3.44 0.13 0.00 -1.00 0.00 0.00 57.85 53.25 3d3i n ARG 359 Cb 0.72 -1.39 0.70 0.00 -1.05 0.00 0.00 32.46 31.43 3d3i n ARG 359 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 3d3i h PRO 360 N 3.95 0.00 -0.04 2.89 0.13 -1.90 -0.34 132.00 136.69 3d3i h PRO 360 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3d3i h PRO 360 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 3d3i h PRO 360 CO 0.52 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.29 3d3i n GLN 361 N -2.40 1.35 -1.32 0.86 0.00 -1.26 -3.96 117.38 110.64 3d3i n GLN 361 Ca -0.02 -0.51 -0.13 0.00 0.00 0.00 0.00 57.00 56.34 3d3i n GLN 361 Cb 0.05 -1.43 0.12 0.00 0.00 0.00 0.00 30.24 28.97 3d3i n GLN 361 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 3d3i n ASP 362 N -0.34 3.85 -4.68 2.61 8.00 -0.14 -4.96 116.55 120.89 3d3i n ASP 362 Ca 0.19 -3.80 -0.45 0.00 0.71 0.00 0.00 54.79 51.44 3d3i n ASP 362 Cb 0.22 -0.53 -0.04 0.00 -0.02 0.00 0.00 41.12 40.75 3d3i n ASP 362 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3d3i n VAL 363 N -0.93 0.02 0.00 2.53 0.31 -1.25 -1.19 118.33 117.82 3d3i n VAL 363 Ca 0.38 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.70 3d3i n VAL 363 Cb 0.90 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 32.18 3d3i n VAL 363 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3d3i n GLY 364 N 3.57 2.51 3.77 2.92 0.00 -0.52 -4.46 105.19 112.98 3d3i n GLY 364 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3d3i n GLY 364 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3d3i s PHE 365 N -2.65 2.83 -0.25 1.61 5.36 -0.33 -3.80 117.98 120.75 3d3i s PHE 365 Ca 0.00 1.16 -0.03 0.00 -0.96 0.00 0.00 56.93 57.09 3d3i s PHE 365 Cb 0.00 -3.89 0.01 0.00 -0.34 0.00 0.00 43.02 38.80 3d3i s PHE 365 CO 0.00 -2.68 -0.02 0.08 -1.46 0.00 0.00 175.22 171.14 3d3i s VAL 366 N -0.75 3.27 0.37 3.12 1.01 -1.26 -1.21 120.40 124.95 3d3i s VAL 366 Ca 0.54 -0.78 -0.26 0.00 0.00 0.00 0.00 61.98 61.48 3d3i s VAL 366 Cb -0.44 -2.61 -0.12 0.00 0.00 0.00 0.00 36.38 33.21 3d3i s VAL 366 CO 0.54 0.24 1.09 -2.65 0.00 0.00 0.00 175.10 174.32 3d3i n PRO 367 N 4.75 1.57 -0.26 2.72 -0.02 -1.26 -4.45 135.00 138.05 3d3i n PRO 367 Ca -0.17 0.55 -0.05 0.00 -2.02 0.00 0.00 63.50 61.82 3d3i n PRO 367 Cb 0.48 -2.08 0.09 0.00 -0.02 0.00 0.00 33.50 31.97 3d3i n PRO 367 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3d3i h ASP 368 N 1.91 1.04 -2.97 2.55 3.58 -0.88 -3.41 116.42 118.25 3d3i h ASP 368 Ca -0.44 -0.17 -0.23 0.00 0.42 0.00 0.00 57.03 56.61 3d3i h ASP 368 Cb 1.32 -0.27 -0.33 0.00 1.72 0.00 0.00 39.33 41.78 3d3i h ASP 368 CO 0.59 0.94 -0.54 -0.22 -2.88 0.00 0.00 179.24 177.13 3d3i s LEU 369 N -9.62 -0.16 0.18 2.28 0.20 -1.05 -4.03 118.68 106.48 3d3i s LEU 369 Ca -0.12 0.54 0.10 0.00 0.69 0.00 0.00 54.13 55.34 3d3i s LEU 369 Cb 0.16 0.64 -0.04 0.00 -0.43 0.00 0.00 46.19 46.51 3d3i s LEU 369 CO 0.83 -0.23 -0.14 0.27 -0.29 0.00 0.00 176.35 176.79 3d3i s ILE 370 N 2.23 2.93 0.29 6.68 -5.25 -0.86 -0.96 121.20 126.27 3d3i s ILE 370 Ca 0.00 -1.75 -0.19 0.00 -0.99 0.00 0.00 60.65 57.72 3d3i s ILE 370 Cb -0.12 -2.43 0.07 0.00 2.95 0.00 0.00 42.46 42.93 3d3i s ILE 370 CO -0.08 -0.10 0.91 0.00 -1.79 0.00 0.00 174.94 173.89 3d3i s ALA 371 N -1.66 -1.14 0.24 2.27 0.00 -1.26 -1.16 121.76 119.05 3d3i s ALA 371 Ca 0.23 -0.58 -0.09 0.00 0.00 0.00 0.00 51.96 51.52 3d3i s ALA 371 Cb -0.09 0.72 0.39 0.00 0.00 0.00 0.00 23.12 24.14 3d3i s ALA 371 CO 0.13 -1.02 1.62 2.35 0.00 0.00 0.00 175.76 178.84 3d3i h TRP 372 N 2.00 -0.23 -3.60 0.00 2.91 -1.79 -3.38 115.95 111.86 3d3i h TRP 372 Ca -0.30 0.06 -0.63 0.00 1.13 0.00 0.00 58.89 59.15 3d3i h TRP 372 Cb 1.23 0.22 -0.17 0.00 -0.51 0.00 0.00 29.16 29.94 3d3i h TRP 372 CO 1.43 -0.29 -0.54 -0.80 -1.03 0.00 0.00 178.44 177.21 3d3i s ASN 373 N -5.21 5.82 0.75 2.65 0.01 -1.26 -0.79 114.94 116.92 3d3i s ASN 373 Ca -0.14 0.02 -0.12 0.00 -0.71 0.00 0.00 52.86 51.91 3d3i s ASN 373 Cb 0.22 -2.05 0.05 0.00 0.41 0.00 0.00 41.25 39.88 3d3i s ASN 373 CO 0.75 0.04 1.11 -0.76 -1.51 0.00 0.00 177.10 176.74 3d3i s LEU 374 N 1.17 3.14 0.86 0.60 1.43 -1.26 -4.23 118.68 120.39 3d3i s LEU 374 Ca 0.06 1.95 -0.11 0.00 -1.03 0.00 0.00 54.13 55.01 3d3i s LEU 374 Cb -0.14 -4.54 0.11 0.00 0.03 0.00 0.00 46.19 41.65 3d3i s LEU 374 CO 0.05 -2.04 1.09 -0.94 0.23 0.00 0.00 176.35 174.74 3d3i s SER 375 N -2.97 3.73 0.49 2.29 1.04 -1.26 -1.09 113.70 115.92 3d3i s SER 375 Ca 0.64 1.66 0.15 0.00 0.48 0.00 0.00 55.95 58.88 3d3i s SER 375 Cb -0.20 -2.33 1.15 0.00 0.10 0.00 0.00 66.02 64.75 3d3i s SER 375 CO 0.51 -2.50 2.08 -0.65 0.98 0.00 0.00 173.24 173.66 3d3i h PRO 376 N -1.45 0.02 0.00 4.02 0.11 -1.71 -0.18 132.00 132.81 3d3i h PRO 376 Ca -0.47 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3d3i h PRO 376 Cb 1.26 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 3d3i h PRO 376 CO 0.52 0.08 -0.04 0.93 -0.21 0.00 0.00 178.00 179.28 3d3i h GLU 377 N 0.02 0.00 -0.23 1.05 3.07 -1.91 -1.78 114.58 114.80 3d3i h GLU 377 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3d3i h GLU 377 Cb 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 3d3i h GLU 377 CO 0.01 0.04 0.00 0.54 -1.40 0.00 0.00 179.01 178.20 3d3i n ARG 378 N -3.39 2.72 -0.33 2.33 1.74 -0.24 -4.92 116.66 114.57 3d3i n ARG 378 Ca -0.02 -2.72 0.00 0.00 -0.77 0.00 0.00 57.85 54.34 3d3i n ARG 378 Cb 0.18 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 29.87 3d3i n ARG 378 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3d3i n GLY 379 N -0.53 0.69 0.44 -0.13 0.00 -0.67 -4.85 105.19 100.14 3d3i n GLY 379 Ca 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.19 3d3i n GLY 379 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d3i n GLY 380 N -2.04 2.81 0.30 -0.02 0.00 -0.26 -4.94 105.19 101.03 3d3i n GLY 380 Ca 0.00 -2.18 0.08 0.00 0.00 0.00 0.00 46.02 43.92 3d3i n GLY 380 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3d3i n ASP 381 N -2.17 1.87 -4.75 1.61 5.75 -1.12 -2.89 116.55 114.85 3d3i n ASP 381 Ca 0.00 -3.09 -0.40 0.00 -0.01 0.00 0.00 54.79 51.29 3d3i n ASP 381 Cb 0.07 -0.42 -0.06 0.00 -1.03 0.00 0.00 41.12 39.69 3d3i n ASP 381 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3d3i s GLY 382 N -2.69 3.08 0.00 6.12 0.00 -0.25 -4.90 107.32 108.68 3d3i s GLY 382 Ca 0.30 0.59 0.20 0.00 0.00 0.00 0.00 44.72 45.80 3d3i s GLY 382 CO -0.00 1.21 0.90 0.61 0.00 0.00 0.00 173.10 175.82 3d3i n GLY 383 N 1.64 -0.46 0.14 0.20 0.00 -1.26 -4.26 105.19 101.19 3d3i n GLY 383 Ca -0.02 -0.56 -0.22 0.00 0.00 0.00 0.00 46.02 45.22 3d3i n GLY 383 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3d3i h ASN 384 N 0.97 0.40 -1.10 1.61 -0.26 -1.88 -3.47 115.58 111.85 3d3i h ASN 384 Ca 0.00 -0.91 -0.85 0.00 -0.56 0.00 0.00 56.30 53.98 3d3i h ASN 384 Cb 0.56 -0.13 0.01 0.00 -1.06 0.00 0.00 38.32 37.70 3d3i h ASN 384 CO 0.00 1.82 0.68 1.87 -1.06 0.00 0.00 177.43 180.74 3d3i n TRP 385 N -3.60 1.73 -4.26 1.19 -0.00 -1.26 -4.82 117.44 106.42 3d3i n TRP 385 Ca -0.31 1.03 -0.21 0.00 -0.00 0.00 0.00 57.50 58.02 3d3i n TRP 385 Cb 1.01 -2.26 -0.16 0.00 -0.00 0.00 0.00 31.31 29.90 3d3i n TRP 385 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 3d3i s ASN 386 N 2.86 1.08 -0.09 5.87 2.47 -0.14 -4.77 114.94 122.22 3d3i s ASN 386 Ca 1.03 -0.16 0.13 0.00 0.42 0.00 0.00 52.86 54.27 3d3i s ASN 386 Cb -1.40 -0.50 0.23 0.00 -1.45 0.00 0.00 41.25 38.13 3d3i s ASN 386 CO 0.77 -0.03 1.11 -0.62 -3.72 0.00 0.00 177.10 174.62 3d3i n GLU 387 N 3.92 0.79 0.11 0.43 1.02 -1.26 -2.18 120.64 123.47 3d3i n GLU 387 Ca -0.24 -2.12 0.13 0.00 -0.02 0.00 0.00 57.16 54.90 3d3i n GLU 387 Cb 0.51 -1.05 0.45 0.00 -0.02 0.00 0.00 31.44 31.33 3d3i n GLU 387 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3d3i n ARG 388 N -0.75 0.23 -3.83 3.49 1.74 -1.26 -4.68 116.66 111.60 3d3i n ARG 388 Ca 0.10 0.30 -0.02 0.00 -0.77 0.00 0.00 57.85 57.47 3d3i n ARG 388 Cb 0.72 -1.83 0.01 0.00 -1.02 0.00 0.00 32.46 30.33 3d3i n ARG 388 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3d3i s ASN 389 N -4.37 -0.05 0.00 0.55 4.22 -1.26 -1.72 114.94 112.31 3d3i s ASN 389 Ca 0.08 -0.48 0.00 0.00 -2.14 0.00 0.00 52.86 50.32 3d3i s ASN 389 Cb 0.11 0.41 0.00 0.00 1.28 0.00 0.00 41.25 43.05 3d3i s ASN 389 CO 0.50 -0.79 0.00 1.07 -2.04 0.00 0.00 177.10 175.84 3d3i n THR 390 N -0.64 0.00 -4.17 0.54 5.66 -1.26 -1.95 114.28 112.46 3d3i n THR 390 Ca -0.04 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.85 3d3i n THR 390 Cb 0.60 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.29 3d3i n THR 390 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 3d3i s LYS 391 N 2.50 1.23 0.49 1.09 -0.14 -1.26 -4.02 119.74 119.63 3d3i s LYS 391 Ca 0.00 -1.57 -0.23 0.00 -1.36 0.00 0.00 55.97 52.81 3d3i s LYS 391 Cb 0.00 0.29 -0.08 0.00 -1.68 0.00 0.00 37.83 36.37 3d3i s LYS 391 CO 0.00 -0.42 1.20 -2.30 -0.76 0.00 0.00 175.35 173.07 3d3i n PRO 392 N -0.28 1.61 -3.43 -1.68 -0.02 -1.14 -4.92 135.00 125.14 3d3i n PRO 392 Ca 0.01 0.58 -0.42 0.00 -2.02 0.00 0.00 63.50 61.65 3d3i n PRO 392 Cb 0.65 -2.35 -0.10 0.00 -0.02 0.00 0.00 33.50 31.69 3d3i n PRO 392 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3d3i s SER 393 N -0.78 6.13 -0.11 2.55 0.15 -1.26 -4.60 113.70 115.78 3d3i s SER 393 Ca 0.67 -0.70 0.16 0.00 0.70 0.00 0.00 55.95 56.77 3d3i s SER 393 Cb -0.47 -2.18 0.36 0.00 -1.71 0.00 0.00 66.02 62.02 3d3i s SER 393 CO 0.54 -0.44 1.17 0.18 1.20 0.00 0.00 173.24 175.89 3d3i n LEU 394 N 5.29 1.85 -0.06 3.45 4.77 -1.26 -4.76 117.00 126.28 3d3i n LEU 394 Ca -0.10 -2.90 -0.10 0.00 -0.03 0.00 0.00 56.01 52.87 3d3i n LEU 394 Cb 0.48 -0.30 -0.04 0.00 -2.33 0.00 0.00 43.42 41.23 3d3i n LEU 394 CO 0.42 0.91 0.91 0.00 -1.33 0.00 0.00 177.39 178.29 3d3i h ALA 395 N 0.74 0.29 -0.62 -1.18 0.00 -1.95 -1.42 119.26 115.12 3d3i h ALA 395 Ca -0.07 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3d3i h ALA 395 Cb 1.31 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 3d3i h ALA 395 CO 0.03 -0.17 0.24 0.00 0.00 0.00 0.00 179.25 179.35 3d3i h ALA 396 N 0.99 0.81 -0.74 0.00 0.00 -1.92 -0.13 119.26 118.26 3d3i h ALA 396 Ca 0.08 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.86 3d3i h ALA 396 Cb 0.09 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 3d3i h ALA 396 CO -0.01 0.43 0.45 2.35 0.00 0.00 0.00 179.25 182.47 3d3i h TRP 397 N 0.87 0.84 -0.13 0.00 7.01 -1.85 -2.90 115.95 119.79 3d3i h TRP 397 Ca 0.21 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.18 3d3i h TRP 397 Cb 0.22 -0.27 -0.00 0.00 -2.10 0.00 0.00 29.16 27.01 3d3i h TRP 397 CO 0.01 0.45 -0.12 1.03 -2.79 0.00 0.00 178.44 177.01 3d3i h SER 398 N 0.85 0.33 0.00 2.65 0.87 -0.87 -2.40 113.55 114.97 3d3i h SER 398 Ca 0.31 -0.48 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 3d3i h SER 398 Cb 0.10 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 3d3i h SER 398 CO -0.14 0.74 0.00 0.52 -0.53 0.00 0.00 176.83 177.42 3d3i n VAL 399 N -4.60 0.00 0.00 2.23 0.31 -0.10 -2.70 118.33 113.48 3d3i n VAL 399 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 3d3i n VAL 399 Cb 0.35 -0.46 0.00 0.00 -0.91 0.00 0.00 33.84 32.82 3d3i n VAL 399 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3d3i n GLU 401 N 0.96 0.00 -0.30 5.55 4.07 -0.91 -2.40 120.64 127.61 3d3i n GLU 401 Ca 0.00 0.00 -0.05 0.00 -0.06 0.00 0.00 57.16 57.05 3d3i n GLU 401 Cb 0.00 0.00 0.07 0.00 -0.06 0.00 0.00 31.44 31.45 3d3i n GLU 401 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 3d3i h VAL 402 N 0.00 1.25 -0.41 6.31 2.07 -1.81 -2.30 116.25 121.36 3d3i h VAL 402 Ca 0.00 -0.71 -0.10 0.00 0.82 0.00 0.00 66.70 66.72 3d3i h VAL 402 Cb 0.00 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 3d3i h VAL 402 CO 0.00 0.30 -0.11 0.22 0.02 0.00 0.00 177.57 178.00 3d3i h TYR 403 N 1.17 0.91 -0.66 1.57 3.20 -1.77 -1.09 116.97 120.29 3d3i h TYR 403 Ca 0.28 -0.20 0.13 0.00 3.14 0.00 0.00 58.73 62.08 3d3i h TYR 403 Cb 0.11 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.12 3d3i h TYR 403 CO 0.01 0.93 0.45 -0.91 -1.64 0.00 0.00 178.16 177.00 3d3i h ASN 404 N 0.63 0.33 0.00 -2.11 2.35 -1.75 0.75 115.58 115.78 3d3i h ASN 404 Ca 0.10 0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.74 3d3i h ASN 404 Cb 0.65 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.95 3d3i h ASN 404 CO 0.04 0.18 -0.71 0.58 -1.65 0.00 0.00 177.43 175.88 3d3i h VAL 405 N 0.35 1.07 0.00 2.81 2.07 -1.24 -3.39 116.25 117.92 3d3i h VAL 405 Ca 0.32 -2.06 -0.10 0.00 0.82 0.00 0.00 66.70 65.68 3d3i h VAL 405 Cb 0.75 2.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.79 3d3i h VAL 405 CO -0.09 0.36 -0.49 0.71 0.02 0.00 0.00 177.57 178.09 3d3i h THR 406 N -1.00 0.75 -1.99 2.57 1.35 -1.06 -3.47 112.91 110.05 3d3i h THR 406 Ca -0.18 -2.07 -0.42 0.00 -0.55 0.00 0.00 66.41 63.19 3d3i h THR 406 Cb 1.06 2.36 -0.10 0.00 -1.73 0.00 0.00 68.15 69.74 3d3i h THR 406 CO -0.11 0.43 -0.46 0.00 -0.25 0.00 0.00 175.52 175.12 3d3i n GLN 407 N -3.19 -1.57 -2.97 4.72 6.02 0.26 -4.92 117.38 115.73 3d3i n GLN 407 Ca 0.02 1.12 -0.44 0.00 -0.01 0.00 0.00 57.00 57.70 3d3i n GLN 407 Cb 0.72 -5.65 -0.04 0.00 1.02 0.00 0.00 30.24 26.28 3d3i n GLN 407 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3d3i s ASP 408 N -2.41 6.20 0.53 1.08 2.15 -1.26 -4.91 116.67 118.05 3d3i s ASP 408 Ca 0.00 -1.02 0.29 0.00 0.43 0.00 0.00 52.55 52.25 3d3i s ASP 408 Cb 0.00 -2.37 1.50 0.00 -0.30 0.00 0.00 42.92 41.75 3d3i s ASP 408 CO 0.00 -1.24 2.08 0.11 -0.17 0.00 0.00 175.17 175.95 3d3i h LYS 409 N 9.35 0.00 0.00 4.34 1.57 -1.94 -2.24 116.57 127.65 3d3i h LYS 409 Ca -0.28 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.43 3d3i h LYS 409 Cb 1.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 3d3i h LYS 409 CO 1.12 0.10 -0.30 1.79 -0.57 0.00 0.00 179.45 181.59 3d3i h THR 410 N 0.00 1.07 -0.21 -0.16 1.35 -1.99 -1.05 112.91 111.91 3d3i h THR 410 Ca -0.00 -1.07 -0.05 0.00 -0.55 0.00 0.00 66.41 64.74 3d3i h THR 410 Cb 0.33 1.60 -0.01 0.00 -1.73 0.00 0.00 68.15 68.35 3d3i h THR 410 CO 0.01 0.29 -0.06 -0.25 -0.25 0.00 0.00 175.52 175.26 3d3i h TRP 411 N 0.00 0.48 -0.70 4.73 2.91 -1.82 -0.85 115.95 120.70 3d3i h TRP 411 Ca -0.00 -0.11 -0.03 0.00 1.13 0.00 0.00 58.89 59.88 3d3i h TRP 411 Cb 0.58 -0.11 -0.03 0.00 -0.51 0.00 0.00 29.16 29.08 3d3i h TRP 411 CO 0.00 0.67 0.30 0.28 -1.03 0.00 0.00 178.44 178.66 3d3i h VAL 412 N 0.14 1.24 -0.78 2.65 2.07 -1.48 -2.44 116.25 117.66 3d3i h VAL 412 Ca 0.05 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 3d3i h VAL 412 Cb 0.53 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 3d3i h VAL 412 CO 0.02 0.29 0.39 0.00 0.02 0.00 0.00 177.57 178.30 3d3i h ALA 413 N 1.14 1.22 0.00 1.67 0.00 -1.08 -0.21 119.26 122.00 3d3i h ALA 413 Ca 0.23 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3d3i h ALA 413 Cb 0.18 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3d3i h ALA 413 CO -0.02 0.61 0.00 -1.91 0.00 0.00 0.00 179.25 177.92 3d3i n GLU 414 N -4.33 0.13 0.00 0.00 2.13 -0.34 -4.42 120.64 113.82 3d3i n GLU 414 Ca 0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.90 3d3i n GLU 414 Cb 0.12 -1.15 0.00 0.00 0.27 0.00 0.00 31.44 30.68 3d3i n GLU 414 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 3d3i n TYR 416 N -0.65 0.00 0.08 4.31 9.36 -0.09 -4.55 117.16 125.62 3d3i n TYR 416 Ca 0.01 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.27 3d3i n TYR 416 Cb 0.00 0.00 0.45 0.00 -0.63 0.00 0.00 39.34 39.16 3d3i n TYR 416 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 3d3i h PRO 417 N 0.00 0.37 -0.31 2.98 0.13 -1.85 0.48 132.00 133.79 3d3i h PRO 417 Ca 0.00 -0.04 -0.17 0.00 -0.87 0.00 0.00 66.00 64.92 3d3i h PRO 417 Cb 0.00 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.05 3d3i h PRO 417 CO 0.00 0.31 -0.48 0.87 -0.23 0.00 0.00 178.00 178.46 3d3i h LYS 418 N 0.37 0.86 -0.51 0.86 1.57 -1.94 -1.28 116.57 116.50 3d3i h LYS 418 Ca 0.09 -0.51 -0.11 0.00 -1.87 0.00 0.00 60.65 58.25 3d3i h LYS 418 Cb 0.07 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 3d3i h LYS 418 CO -0.01 1.15 -0.13 -0.07 -0.57 0.00 0.00 179.45 179.81 3d3i h LEU 419 N 0.68 0.98 -0.68 2.94 3.38 -1.80 -2.22 115.31 118.58 3d3i h LEU 419 Ca 0.03 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 3d3i h LEU 419 Cb 1.08 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 3d3i h LEU 419 CO 0.11 1.11 0.32 0.58 0.09 0.00 0.00 178.44 180.65 3d3i h VAL 420 N 0.86 1.23 -0.73 1.22 2.07 -0.77 -0.41 116.25 119.72 3d3i h VAL 420 Ca 0.13 -0.65 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 3d3i h VAL 420 Cb 0.69 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 3d3i h VAL 420 CO 0.05 0.27 0.28 0.00 0.02 0.00 0.00 177.57 178.19 3d3i h ALA 421 N 1.15 1.11 -0.32 1.67 0.00 -1.01 -0.98 119.26 120.87 3d3i h ALA 421 Ca 0.23 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3d3i h ALA 421 Cb 0.13 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3d3i h ALA 421 CO -0.03 0.63 -0.12 -0.92 0.00 0.00 0.00 179.25 178.82 3d3i h TYR 422 N 1.07 0.74 -0.34 0.00 3.20 -1.09 -1.96 116.97 118.59 3d3i h TYR 422 Ca 0.24 -0.17 0.05 0.00 3.14 0.00 0.00 58.73 61.99 3d3i h TYR 422 Cb 0.23 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.27 3d3i h TYR 422 CO 0.02 0.85 0.05 1.25 -1.64 0.00 0.00 178.16 178.69 3d3i h HIS 423 N 0.42 0.09 -0.22 -3.82 2.76 -0.74 -2.17 115.15 111.46 3d3i h HIS 423 Ca 0.08 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.20 3d3i h HIS 423 Cb 0.63 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.59 3d3i h HIS 423 CO 0.06 0.00 -0.18 -0.44 -1.30 0.00 0.00 177.93 176.07 3d3i h ASP 424 N 0.17 0.37 -0.75 3.26 3.32 -1.08 -2.95 116.42 118.76 3d3i h ASP 424 Ca 0.16 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3d3i h ASP 424 Cb 0.19 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 3d3i h ASP 424 CO -0.23 0.57 0.42 -0.25 -1.72 0.00 0.00 179.24 178.03 3d3i h TRP 425 N 0.35 1.03 -0.81 4.55 7.01 -0.72 -2.37 115.95 124.99 3d3i h TRP 425 Ca 0.06 -0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.07 3d3i h TRP 425 Cb 0.52 -0.33 -0.05 0.00 -2.10 0.00 0.00 29.16 27.20 3d3i h TRP 425 CO 0.01 0.71 0.52 -1.49 -2.79 0.00 0.00 178.44 175.41 3d3i h TRP 426 N 1.04 0.97 0.00 2.65 4.06 -1.30 0.12 115.95 123.49 3d3i h TRP 426 Ca 0.27 0.03 -0.08 0.00 2.06 0.00 0.00 58.89 61.16 3d3i h TRP 426 Cb 0.02 -0.32 -0.01 0.00 -1.00 0.00 0.00 29.16 27.84 3d3i h TRP 426 CO -0.00 0.57 -0.38 -0.07 -3.56 0.00 0.00 178.44 175.00 3d3i h LEU 427 N 1.02 0.00 0.13 -4.49 3.38 -1.48 -0.29 115.31 113.57 3d3i h LEU 427 Ca 0.32 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.99 3d3i h LEU 427 Cb -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3d3i h LEU 427 CO -0.11 0.38 -1.54 0.03 0.09 0.00 0.00 178.44 177.30 3d3i h ARG 428 N 0.00 0.27 -0.01 1.13 3.08 -0.94 -3.40 114.38 114.50 3d3i h ARG 428 Ca -0.00 -0.47 0.00 0.00 0.07 0.00 0.00 59.98 59.58 3d3i h ARG 428 Cb 0.77 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.99 3d3i h ARG 428 CO 0.05 1.22 -0.24 0.09 -1.07 0.00 0.00 179.97 180.02 3d3i n ASN 429 N -3.82 1.70 -2.58 7.04 4.13 -0.02 -4.63 115.26 117.08 3d3i n ASN 429 Ca -0.26 -1.35 -0.09 0.00 1.68 0.00 0.00 54.58 54.57 3d3i n ASN 429 Cb 0.95 0.37 0.04 0.00 -1.54 0.00 0.00 39.78 39.59 3d3i n ASN 429 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3d3i n ARG 430 N 0.07 2.26 -3.15 3.52 5.12 -0.12 -4.60 116.66 119.76 3d3i n ARG 430 Ca 0.07 -3.71 -0.22 0.00 -1.93 0.00 0.00 57.85 52.06 3d3i n ARG 430 Cb 0.33 -1.78 -0.06 0.00 -1.16 0.00 0.00 32.46 29.79 3d3i n ARG 430 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 3d3i n ASP 431 N -0.57 -0.50 -0.27 0.55 2.03 -1.24 -0.11 116.55 116.44 3d3i n ASP 431 Ca 0.19 -2.72 0.07 0.00 0.52 0.00 0.00 54.79 52.85 3d3i n ASP 431 Cb 0.84 -0.21 0.21 0.00 -0.72 0.00 0.00 41.12 41.25 3d3i n ASP 431 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 3d3i h HIS 432 N 4.35 0.42 -0.44 -0.67 -0.00 -1.91 -1.30 115.15 115.60 3d3i h HIS 432 Ca 0.08 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.49 3d3i h HIS 432 Cb 0.91 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 28.26 3d3i h HIS 432 CO 0.29 -0.05 0.00 0.27 -0.00 0.00 0.00 177.93 178.45 3d3i n ASN 433 N -5.10 3.00 -3.59 3.26 6.94 -1.26 -4.98 115.26 113.53 3d3i n ASN 433 Ca 0.16 -1.95 -0.27 0.00 -0.02 0.00 0.00 54.58 52.51 3d3i n ASN 433 Cb 0.50 -0.29 0.02 0.00 -2.36 0.00 0.00 39.78 37.65 3d3i n ASN 433 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3d3i n GLY 434 N 1.41 -0.50 1.30 4.83 0.00 -0.49 -4.89 105.19 106.84 3d3i n GLY 434 Ca 0.19 0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.49 3d3i n GLY 434 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3d3i n ASN 435 N -2.63 3.81 0.00 1.61 6.94 -1.26 -4.94 115.26 118.79 3d3i n ASN 435 Ca -0.00 -2.00 0.00 0.00 -0.02 0.00 0.00 54.58 52.56 3d3i n ASN 435 Cb 0.55 -0.41 0.00 0.00 -2.36 0.00 0.00 39.78 37.56 3d3i n ASN 435 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3d3i n GLY 436 N 1.62 0.73 3.04 4.83 0.00 -1.26 -5.00 105.19 109.15 3d3i n GLY 436 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 3d3i n GLY 436 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d3i s VAL 437 N -2.72 2.96 0.97 1.61 1.01 -1.26 -4.98 120.40 117.99 3d3i s VAL 437 Ca 0.00 -2.69 -0.13 0.00 0.00 0.00 0.00 61.98 59.16 3d3i s VAL 437 Cb 0.00 -3.04 0.07 0.00 0.00 0.00 0.00 36.38 33.41 3d3i s VAL 437 CO 0.00 -0.74 0.53 -2.65 0.00 0.00 0.00 175.10 172.24 3d3i n PRO 438 N 3.84 -0.49 -4.45 2.72 -0.02 -1.26 -4.86 135.00 130.48 3d3i n PRO 438 Ca 0.04 -0.10 -0.22 0.00 -2.02 0.00 0.00 63.50 61.20 3d3i n PRO 438 Cb 0.38 -1.95 -0.10 0.00 -0.02 0.00 0.00 33.50 31.81 3d3i n PRO 438 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3d3i s GLU 439 N -3.83 1.60 0.29 -0.52 8.01 0.84 -4.48 118.70 120.60 3d3i s GLU 439 Ca 0.59 -1.82 -0.20 0.00 0.01 0.00 0.00 54.97 53.56 3d3i s GLU 439 Cb -0.21 -1.21 -0.09 0.00 -4.31 0.00 0.00 34.13 28.31 3d3i s GLU 439 CO 0.66 0.04 0.79 0.71 0.01 0.00 0.00 175.26 177.46 3d3i s TYR 440 N -2.97 3.55 0.00 1.61 2.02 -1.26 -4.82 117.35 115.47 3d3i s TYR 440 Ca 0.30 1.44 0.00 0.00 -0.37 0.00 0.00 57.07 58.44 3d3i s TYR 440 Cb 0.04 -2.68 0.00 0.00 -0.40 0.00 0.00 41.96 38.92 3d3i s TYR 440 CO 0.13 0.20 0.00 0.41 -1.57 0.00 0.00 175.55 174.72 3d3i n GLY 441 N 0.26 3.50 3.32 0.71 0.00 -1.26 -1.84 105.19 109.87 3d3i n GLY 441 Ca 0.01 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.45 3d3i n GLY 441 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d3i s ALA 442 N -1.05 -0.00 0.59 4.61 0.00 -0.71 -3.65 121.76 121.54 3d3i s ALA 442 Ca 0.00 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.13 3d3i s ALA 442 Cb 0.00 0.83 0.07 0.00 0.00 0.00 0.00 23.12 24.02 3d3i s ALA 442 CO 0.00 -0.63 0.82 0.95 0.00 0.00 0.00 175.76 176.90 3d3i s THR 443 N -3.96 2.41 0.10 0.00 -4.23 -0.70 0.20 115.64 109.46 3d3i s THR 443 Ca 0.16 -0.79 -0.30 0.00 -1.18 0.00 0.00 61.69 59.59 3d3i s THR 443 Cb 0.04 -2.63 -0.06 0.00 1.34 0.00 0.00 72.50 71.19 3d3i s THR 443 CO -0.01 0.00 1.03 -0.60 -0.54 0.00 0.00 174.62 174.50 3d3i s ARG 444 N -4.79 4.61 0.08 3.99 3.52 -1.26 -4.68 118.95 120.42 3d3i s ARG 444 Ca 0.61 1.56 -0.22 0.00 -0.13 0.00 0.00 55.73 57.54 3d3i s ARG 444 Cb -0.07 -3.36 0.06 0.00 -1.56 0.00 0.00 34.95 30.01 3d3i s ARG 444 CO 0.40 0.06 0.54 0.34 -0.81 0.00 0.00 175.30 175.82 3d3i s ASP 445 N 0.32 -0.47 0.55 -2.12 2.15 -1.26 -4.95 116.67 110.89 3d3i s ASP 445 Ca 0.50 0.11 0.22 0.00 0.43 0.00 0.00 52.55 53.82 3d3i s ASP 445 Cb -0.25 0.52 1.50 0.00 -0.30 0.00 0.00 42.92 44.39 3d3i s ASP 445 CO 0.31 -0.80 2.16 0.11 -0.17 0.00 0.00 175.17 176.78 3d3i h LYS 446 N 2.53 0.00 0.00 4.34 1.57 -1.95 -0.28 116.57 122.77 3d3i h LYS 446 Ca -0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 3d3i h LYS 446 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 3d3i h LYS 446 CO 0.41 0.00 -0.17 0.00 -0.57 0.00 0.00 179.45 179.12 3d3i h ALA 447 N 1.95 0.89 0.00 3.86 0.00 -1.98 -3.36 119.26 120.62 3d3i h ALA 447 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.66 3d3i h ALA 447 Cb 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 3d3i h ALA 447 CO -0.00 0.00 -2.12 0.72 0.00 0.00 0.00 179.25 177.84 3d3i n HIS 448 N -2.35 0.00 -4.11 0.00 8.25 -0.21 -4.68 115.22 112.13 3d3i n HIS 448 Ca 0.05 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.40 3d3i n HIS 448 Cb 0.45 -0.80 -0.09 0.00 1.12 0.00 0.00 29.99 30.68 3d3i n HIS 448 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3d3i s ASN 449 N -4.99 0.12 0.93 0.41 2.20 -0.63 -0.34 114.94 112.65 3d3i s ASN 449 Ca -0.08 -1.17 -0.15 0.00 -0.94 0.00 0.00 52.86 50.52 3d3i s ASN 449 Cb 0.05 0.41 0.18 0.00 -2.00 0.00 0.00 41.25 39.90 3d3i s ASN 449 CO 0.69 -0.88 1.29 0.42 -2.94 0.00 0.00 177.10 175.68 3d3i s THR 450 N -4.07 2.01 0.38 0.54 -4.23 -0.02 -4.62 115.64 105.63 3d3i s THR 450 Ca 0.29 -0.04 0.06 0.00 -1.18 0.00 0.00 61.69 60.82 3d3i s THR 450 Cb 0.05 -2.97 0.28 0.00 1.34 0.00 0.00 72.50 71.20 3d3i s THR 450 CO 0.07 0.00 2.00 -0.33 -0.54 0.00 0.00 174.62 175.82 3d3i h GLU 451 N -1.52 0.68 -0.00 3.99 5.08 -1.96 -0.51 114.58 120.33 3d3i h GLU 451 Ca -0.44 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 3d3i h GLU 451 Cb 1.24 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3d3i h GLU 451 CO 0.41 0.45 -0.02 -1.13 -1.00 0.00 0.00 179.01 177.72 3d3i n SER 452 N -4.47 0.14 0.00 1.42 3.41 -1.26 -4.90 113.62 107.97 3d3i n SER 452 Ca 0.07 -0.65 0.00 0.00 -0.26 0.00 0.00 58.87 58.03 3d3i n SER 452 Cb 0.14 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 3d3i n SER 452 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3d3i n GLY 453 N 1.15 0.80 0.00 5.00 0.00 -0.20 -5.13 105.19 106.82 3d3i n GLY 453 Ca 0.19 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3d3i n GLY 453 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3d3i n GLU 454 N -2.35 2.72 -3.88 1.61 1.02 -1.26 -4.74 120.64 113.75 3d3i n GLU 454 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 3d3i n GLU 454 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.31 3d3i n GLU 454 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3d3i s LEU 456 N 0.00 1.66 -0.16 -4.62 1.43 0.54 -0.84 118.68 116.69 3d3i s LEU 456 Ca 0.00 -0.18 -0.29 0.00 -1.03 0.00 0.00 54.13 52.63 3d3i s LEU 456 Cb 0.00 0.54 0.11 0.00 0.03 0.00 0.00 46.19 46.87 3d3i s LEU 456 CO 0.00 -0.30 0.92 0.72 0.23 0.00 0.00 176.35 177.92 3d3i s PHE 457 N -1.15 -0.47 -0.11 0.29 -0.12 -0.51 -4.21 117.98 111.70 3d3i s PHE 457 Ca -0.12 0.90 0.02 0.00 -0.05 0.00 0.00 56.93 57.68 3d3i s PHE 457 Cb -0.07 0.42 -0.01 0.00 -0.63 0.00 0.00 43.02 42.73 3d3i s PHE 457 CO 0.01 -0.38 -0.19 0.99 -0.05 0.00 0.00 175.22 175.59 3d3i s THR 458 N -0.82 2.46 -0.21 -4.49 2.01 0.13 0.12 115.64 114.84 3d3i s THR 458 Ca -0.03 -0.87 -0.09 0.00 0.31 0.00 0.00 61.69 61.01 3d3i s THR 458 Cb -0.01 -1.98 -0.05 0.00 0.01 0.00 0.00 72.50 70.47 3d3i s THR 458 CO 0.02 0.54 0.11 -0.69 -0.69 0.00 0.00 174.62 173.92 3d3i s VAL 459 N 0.37 5.12 -0.09 3.82 1.01 0.31 -0.35 120.40 130.59 3d3i s VAL 459 Ca -0.15 0.09 0.03 0.00 0.00 0.00 0.00 61.98 61.94 3d3i s VAL 459 Cb -0.17 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 3d3i s VAL 459 CO 0.07 0.41 -0.17 -0.75 0.00 0.00 0.00 175.10 174.67 3d3i s LYS 460 N 0.65 2.92 -0.20 2.72 2.47 -0.57 -0.72 119.74 127.01 3d3i s LYS 460 Ca 0.06 -0.74 -0.04 0.00 -1.56 0.00 0.00 55.97 53.68 3d3i s LYS 460 Cb -0.12 -2.44 0.09 0.00 -1.46 0.00 0.00 37.83 33.90 3d3i s LYS 460 CO 0.01 0.37 0.20 0.21 0.16 0.00 0.00 175.35 176.30 3d3i s LYS 461 N -0.09 0.17 6.96 4.03 2.47 0.12 -1.21 119.74 132.19 3d3i s LYS 461 Ca -0.03 0.12 0.00 0.00 -1.56 0.00 0.00 55.97 54.50 3d3i s LYS 461 Cb -0.14 -1.31 0.00 0.00 -1.46 0.00 0.00 37.83 34.92 3d3i s LYS 461 CO 0.04 -0.68 0.00 0.41 0.16 0.00 0.00 175.35 175.28 3d3i n GLY 462 N 5.31 2.50 0.55 5.54 0.00 -1.26 -0.74 105.19 117.10 3d3i n GLY 462 Ca -0.06 0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.09 3d3i n GLY 462 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3d3i n ASP 463 N 10.20 2.30 -4.71 1.61 8.00 -1.26 -4.97 116.55 127.72 3d3i n ASP 463 Ca 0.00 -1.64 -0.39 0.00 0.71 0.00 0.00 54.79 53.47 3d3i n ASP 463 Cb 0.00 -0.07 -0.06 0.00 -0.02 0.00 0.00 41.12 40.98 3d3i n ASP 463 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3d3i s LYS 464 N -1.03 4.35 0.06 -1.24 -0.14 0.09 -5.07 119.74 116.75 3d3i s LYS 464 Ca 0.17 0.59 0.09 0.00 -1.36 0.00 0.00 55.97 55.47 3d3i s LYS 464 Cb 0.11 -3.46 -0.03 0.00 -1.68 0.00 0.00 37.83 32.77 3d3i s LYS 464 CO 0.16 0.07 -0.26 -1.21 -0.76 0.00 0.00 175.35 173.35 3d3i s GLU 465 N 0.87 1.75 -0.23 1.68 2.02 -1.26 -0.71 118.70 122.83 3d3i s GLU 465 Ca 0.29 -1.14 -0.03 0.00 0.02 0.00 0.00 54.97 54.11 3d3i s GLU 465 Cb -0.16 -1.98 0.11 0.00 0.10 0.00 0.00 34.13 32.20 3d3i s GLU 465 CO 0.12 0.50 0.29 -2.00 0.02 0.00 0.00 175.26 174.20 3d3i s GLU 466 N -1.40 0.27 -0.22 1.61 2.12 0.10 -4.96 118.70 116.22 3d3i s GLU 466 Ca 0.12 0.28 -0.24 0.00 0.36 0.00 0.00 54.97 55.49 3d3i s GLU 466 Cb -0.10 -0.86 -0.01 0.00 0.26 0.00 0.00 34.13 33.42 3d3i s GLU 466 CO 0.03 -0.71 0.79 0.95 -0.54 0.00 0.00 175.26 175.78 3d3i s THR 467 N 2.41 4.88 0.46 -1.70 -4.23 -1.26 -0.53 115.64 115.67 3d3i s THR 467 Ca 0.09 1.50 0.02 0.00 -1.18 0.00 0.00 61.69 62.13 3d3i s THR 467 Cb -0.15 -4.08 -0.02 0.00 1.34 0.00 0.00 72.50 69.58 3d3i s THR 467 CO -0.16 -0.02 0.06 -1.10 -0.54 0.00 0.00 174.62 172.86 3d3i s GLN 468 N 2.52 2.07 0.07 3.99 -0.21 0.12 -4.98 119.66 123.23 3d3i s GLN 468 Ca 0.34 -2.29 -0.09 0.00 0.02 0.00 0.00 55.36 53.34 3d3i s GLN 468 Cb -0.16 -1.13 0.00 0.00 1.00 0.00 0.00 33.01 32.72 3d3i s GLN 468 CO 0.09 -0.40 0.20 -1.54 -2.12 0.00 0.00 175.29 171.53 3d3i s SER 469 N -3.75 0.06 0.00 5.90 1.04 -1.26 -1.42 113.70 114.27 3d3i s SER 469 Ca 0.15 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.07 3d3i s SER 469 Cb 0.02 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.47 3d3i s SER 469 CO 0.09 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.25 3d3i n GLY 470 N 0.24 2.09 0.32 7.32 0.00 -1.26 -4.63 105.19 109.27 3d3i n GLY 470 Ca -0.17 -1.30 -0.01 0.00 0.00 0.00 0.00 46.02 44.55 3d3i n GLY 470 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3d3i h LEU 471 N 0.00 0.89 -0.86 0.99 5.85 -1.95 -1.47 115.31 118.76 3d3i h LEU 471 Ca 0.00 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.73 3d3i h LEU 471 Cb 0.00 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 3d3i h LEU 471 CO 0.00 0.60 0.56 0.78 -0.34 0.00 0.00 178.44 180.04 3d3i h ASN 472 N 1.04 0.99 -0.59 1.25 2.35 -2.00 0.08 115.58 118.70 3d3i h ASN 472 Ca 0.34 -0.03 -0.10 0.00 -0.55 0.00 0.00 56.30 55.96 3d3i h ASN 472 Cb 0.04 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 3d3i h ASN 472 CO -0.13 0.73 -0.04 0.78 -1.65 0.00 0.00 177.43 177.13 3d3i h ASN 473 N 1.17 1.05 0.01 5.81 2.35 -1.69 -2.66 115.58 121.63 3d3i h ASN 473 Ca 0.31 -0.32 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3d3i h ASN 473 Cb -0.12 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 37.95 3d3i h ASN 473 CO -0.07 1.12 -0.09 0.22 -1.65 0.00 0.00 177.43 176.96 3d3i h TYR 474 N 0.96 -0.23 -0.89 1.19 3.20 -0.54 -1.79 116.97 118.86 3d3i h TYR 474 Ca 0.16 0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.16 3d3i h TYR 474 Cb 0.60 0.10 -0.09 0.00 1.54 0.00 0.00 36.73 38.89 3d3i h TYR 474 CO 0.04 -0.14 0.52 0.00 -1.64 0.00 0.00 178.16 176.94 3d3i h ALA 475 N 0.80 1.34 0.24 1.82 0.00 -0.87 -1.34 119.26 121.25 3d3i h ALA 475 Ca 0.03 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3d3i h ALA 475 Cb 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3d3i h ALA 475 CO -0.08 0.06 -0.12 0.07 0.00 0.00 0.00 179.25 179.18 3d3i h ARG 476 N 0.79 -0.31 -0.70 0.00 -0.00 -1.12 -2.10 114.38 110.95 3d3i h ARG 476 Ca 0.46 0.02 0.13 0.00 -0.00 0.00 0.00 59.98 60.59 3d3i h ARG 476 Cb 0.53 0.07 -0.09 0.00 -0.00 0.00 0.00 29.97 30.48 3d3i h ARG 476 CO -0.30 -0.05 0.24 0.28 -0.00 0.00 0.00 179.97 180.14 3d3i h VAL 477 N -0.55 0.65 -0.16 0.08 2.07 -0.83 0.06 116.25 117.58 3d3i h VAL 477 Ca -0.03 -0.13 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 3d3i h VAL 477 Cb 0.40 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3d3i h VAL 477 CO 0.05 0.07 -0.19 0.58 0.02 0.00 0.00 177.57 178.11 3d3i h VAL 478 N 0.38 1.21 -0.38 2.57 2.07 -1.19 -1.83 116.25 119.08 3d3i h VAL 478 Ca 0.38 -0.97 -0.16 0.00 0.82 0.00 0.00 66.70 66.77 3d3i h VAL 478 Cb 0.56 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 3d3i h VAL 478 CO -0.40 0.30 -0.39 -0.08 0.02 0.00 0.00 177.57 177.02 3d3i h GLU 479 N 0.25 0.93 -0.10 1.57 4.81 -0.29 -3.22 114.58 118.53 3d3i h GLU 479 Ca 0.05 -0.49 -0.22 0.00 -0.13 0.00 0.00 59.36 58.56 3d3i h GLU 479 Cb 0.48 0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.89 3d3i h GLU 479 CO 0.03 1.15 -0.82 0.87 -0.73 0.00 0.00 179.01 179.51 3d3i h LYS 480 N 0.76 0.67 -1.44 1.92 1.57 -1.19 -3.47 116.57 115.39 3d3i h LYS 480 Ca 0.06 -0.58 -0.38 0.00 -1.87 0.00 0.00 60.65 57.88 3d3i h LYS 480 Cb 0.99 0.13 -0.11 0.00 0.08 0.00 0.00 32.23 33.32 3d3i h LYS 480 CO 0.10 1.19 -0.39 0.41 -0.57 0.00 0.00 179.45 180.19 3d3i n GLY 481 N 0.74 1.15 2.49 3.86 0.00 -0.70 -4.88 105.19 107.84 3d3i n GLY 481 Ca -0.07 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 3d3i n GLY 481 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3d3i n GLN 482 N -2.56 4.67 -3.71 1.61 6.02 -1.26 -4.88 117.38 117.26 3d3i n GLN 482 Ca -0.20 -3.57 -0.10 0.00 -0.01 0.00 0.00 57.00 53.12 3d3i n GLN 482 Cb 0.63 -2.61 -0.05 0.00 1.02 0.00 0.00 30.24 29.24 3d3i n GLN 482 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.06 177.57 3d3i s TYR 483 N -1.47 -0.10 -0.10 1.08 -0.85 -1.26 -4.95 117.35 109.71 3d3i s TYR 483 Ca 0.53 -0.24 -0.01 0.00 -0.52 0.00 0.00 57.07 56.83 3d3i s TYR 483 Cb 0.19 0.28 -0.25 0.00 0.38 0.00 0.00 41.96 42.55 3d3i s TYR 483 CO -0.10 -0.79 0.45 -0.25 -1.52 0.00 0.00 175.55 173.34 3d3i n ASP 484 N -0.27 1.78 -3.59 -0.18 8.00 -0.35 -4.99 116.55 116.95 3d3i n ASP 484 Ca -0.13 0.27 -0.13 0.00 0.71 0.00 0.00 54.79 55.51 3d3i n ASP 484 Cb 0.63 -0.65 -0.05 0.00 -0.02 0.00 0.00 41.12 41.03 3d3i n ASP 484 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3d3i s SER 485 N -6.78 -0.41 -0.14 -2.24 1.04 -1.15 -5.05 113.70 98.97 3d3i s SER 485 Ca -0.17 0.11 -0.00 0.00 0.48 0.00 0.00 55.95 56.37 3d3i s SER 485 Cb 0.07 0.49 0.03 0.00 0.10 0.00 0.00 66.02 66.70 3d3i s SER 485 CO 0.79 -0.73 -0.10 -0.22 0.98 0.00 0.00 173.24 173.96 3d3i s LEU 486 N -2.06 1.47 -0.37 2.42 2.96 -1.26 -1.52 118.68 120.33 3d3i s LEU 486 Ca -0.05 -0.44 -0.13 0.00 -0.22 0.00 0.00 54.13 53.29 3d3i s LEU 486 Cb -0.01 -0.99 0.01 0.00 0.50 0.00 0.00 46.19 45.71 3d3i s LEU 486 CO -0.03 -0.11 0.25 -1.61 -1.32 0.00 0.00 176.35 173.53 3d3i s GLU 487 N 1.61 3.12 -0.28 1.98 2.02 0.52 -4.95 118.70 122.72 3d3i s GLU 487 Ca 0.04 -0.90 0.03 0.00 0.02 0.00 0.00 54.97 54.16 3d3i s GLU 487 Cb -0.13 -3.83 0.07 0.00 0.10 0.00 0.00 34.13 30.34 3d3i s GLU 487 CO -0.09 -0.62 -0.07 0.42 0.02 0.00 0.00 175.26 174.92 3d3i s ILE 488 N 1.65 2.16 0.26 -1.63 1.01 -1.26 0.18 121.20 123.58 3d3i s ILE 488 Ca 0.05 -1.78 -0.02 0.00 0.00 0.00 0.00 60.65 58.89 3d3i s ILE 488 Cb -0.18 -2.35 0.27 0.00 0.01 0.00 0.00 42.46 40.20 3d3i s ILE 488 CO 0.09 -0.16 1.68 -0.65 0.00 0.00 0.00 174.94 175.89 3d3i h PRO 489 N 7.74 0.26 -0.60 2.79 0.11 -1.84 -0.44 132.00 140.03 3d3i h PRO 489 Ca -0.16 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.88 3d3i h PRO 489 Cb 1.04 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.06 3d3i h PRO 489 CO 0.47 0.17 0.13 0.00 -0.21 0.00 0.00 178.00 178.56 3d3i h ALA 490 N 1.68 1.10 0.00 -0.75 0.00 -1.84 -1.08 119.26 118.36 3d3i h ALA 490 Ca 0.47 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 3d3i h ALA 490 Cb 0.87 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3d3i h ALA 490 CO -0.56 0.60 -0.48 0.37 0.00 0.00 0.00 179.25 179.18 3d3i h GLN 491 N 0.89 0.00 -0.38 0.00 4.15 -1.53 -1.23 115.11 117.01 3d3i h GLN 491 Ca 0.19 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.51 3d3i h GLN 491 Cb 0.35 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 3d3i h GLN 491 CO 0.00 0.48 -0.15 0.28 -1.93 0.00 0.00 178.83 177.52 3d3i h VAL 492 N 0.00 1.28 -0.16 2.39 2.07 -0.61 -2.20 116.25 119.02 3d3i h VAL 492 Ca -0.00 -1.26 -0.04 0.00 0.82 0.00 0.00 66.70 66.21 3d3i h VAL 492 Cb 0.99 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 3d3i h VAL 492 CO 0.06 0.42 -0.10 0.00 0.02 0.00 0.00 177.57 177.97 3d3i h ALA 493 N 0.82 1.54 -0.24 1.67 0.00 -0.87 -1.77 119.26 120.40 3d3i h ALA 493 Ca 0.09 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3d3i h ALA 493 Cb 0.68 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3d3i h ALA 493 CO 0.05 0.33 -0.22 0.00 0.00 0.00 0.00 179.25 179.41 3d3i h ALA 494 N 1.67 1.18 -0.09 0.00 0.00 -0.76 -0.27 119.26 120.99 3d3i h ALA 494 Ca 0.05 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 3d3i h ALA 494 Cb 0.33 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3d3i h ALA 494 CO 0.02 0.53 -0.40 0.66 0.00 0.00 0.00 179.25 180.06 3d3i h SER 495 N 0.40 0.21 -0.03 0.00 4.64 -0.74 -1.99 113.55 116.03 3d3i h SER 495 Ca 0.06 -0.08 -0.18 0.00 -0.47 0.00 0.00 61.79 61.13 3d3i h SER 495 Cb 0.61 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3d3i h SER 495 CO 0.04 0.59 -0.59 -0.50 -0.87 0.00 0.00 176.83 175.50 3d3i h TRP 496 N 0.17 0.81 0.00 4.77 6.55 -0.91 -2.95 115.95 124.39 3d3i h TRP 496 Ca 0.02 -0.30 -0.05 0.00 0.95 0.00 0.00 58.89 59.51 3d3i h TRP 496 Cb 0.78 -0.15 -0.01 0.00 -0.86 0.00 0.00 29.16 28.93 3d3i h TRP 496 CO 0.01 1.07 -0.22 1.49 -1.05 0.00 0.00 178.44 179.74 3d3i h GLU 497 N 0.48 0.00 0.00 0.49 4.81 -0.62 -1.80 114.58 117.94 3d3i h GLU 497 Ca -0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 3d3i h GLU 497 Cb 1.16 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 3d3i h GLU 497 CO 0.12 0.22 -0.21 0.66 -0.73 0.00 0.00 179.01 179.06 3d3i h SER 498 N 0.00 0.00 0.00 1.04 4.64 -1.21 -3.01 113.55 115.01 3d3i h SER 498 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3d3i h SER 498 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3d3i h SER 498 CO 0.03 0.21 0.00 0.61 -0.87 0.00 0.00 176.83 176.81 3d3i n GLY 499 N 0.50 1.21 2.45 -0.77 0.00 -0.68 -4.72 105.19 103.18 3d3i n GLY 499 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 3d3i n GLY 499 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d3i n ARG 500 N -2.00 0.61 0.00 1.61 1.74 -1.24 -5.01 116.66 112.37 3d3i n ARG 500 Ca 0.00 -3.45 0.02 0.00 -0.77 0.00 0.00 57.85 53.65 3d3i n ARG 500 Cb 0.00 -1.74 0.14 0.00 -1.02 0.00 0.00 32.46 29.84 3d3i n ARG 500 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3d3i n ASP 501 N 2.44 0.00 -0.64 0.55 5.68 -1.23 -2.59 116.55 120.76 3d3i n ASP 501 Ca 0.27 -0.44 0.00 0.00 -0.50 0.00 0.00 54.79 54.12 3d3i n ASP 501 Cb 0.46 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 3d3i n ASP 501 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3d3i n ASP 502 N -0.75 0.10 -4.77 -1.12 2.03 -1.26 -4.97 116.55 105.81 3d3i n ASP 502 Ca 0.04 -1.86 -0.38 0.00 0.52 0.00 0.00 54.79 53.10 3d3i n ASP 502 Cb 0.02 -0.17 -0.02 0.00 -0.72 0.00 0.00 41.12 40.22 3d3i n ASP 502 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3d3i s ALA 503 N 0.00 3.19 0.24 -1.67 0.00 -1.07 -4.54 121.76 117.91 3d3i s ALA 503 Ca 0.04 0.96 -0.07 0.00 0.00 0.00 0.00 51.96 52.90 3d3i s ALA 503 Cb 0.05 -3.38 0.26 0.00 0.00 0.00 0.00 23.12 20.06 3d3i s ALA 503 CO -0.02 -0.49 1.89 0.00 0.00 0.00 0.00 175.76 177.14 3d3i h ALA 504 N 2.77 1.15 -0.02 0.00 0.00 -1.75 -2.23 119.26 119.19 3d3i h ALA 504 Ca -0.49 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.39 3d3i h ALA 504 Cb 1.23 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 3d3i h ALA 504 CO 0.63 0.43 0.04 -0.24 0.00 0.00 0.00 179.25 180.11 3d3i h VAL 505 N 1.12 0.32 -0.48 0.00 3.04 -1.88 -0.94 116.25 117.43 3d3i h VAL 505 Ca 0.35 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.04 3d3i h VAL 505 Cb -0.02 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 30.23 3d3i h VAL 505 CO -0.11 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 176.94 3d3i n PHE 506 N -3.54 1.73 -0.62 3.17 3.72 -0.85 -4.90 117.46 116.17 3d3i n PHE 506 Ca -0.02 -0.60 0.00 0.00 -0.05 0.00 0.00 57.45 56.77 3d3i n PHE 506 Cb 0.12 -0.44 0.00 0.00 -0.94 0.00 0.00 39.48 38.22 3d3i n PHE 506 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3d3i n GLY 507 N 0.54 0.76 3.62 1.37 0.00 -0.36 -4.80 105.19 106.32 3d3i n GLY 507 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 3d3i n GLY 507 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3d3i s PHE 508 N -2.72 3.17 -0.24 1.61 0.08 -1.15 -4.88 117.98 113.85 3d3i s PHE 508 Ca 0.00 0.91 -0.21 0.00 0.12 0.00 0.00 56.93 57.75 3d3i s PHE 508 Cb 0.00 -3.40 0.06 0.00 -0.57 0.00 0.00 43.02 39.11 3d3i s PHE 508 CO 0.00 -0.65 0.63 -1.50 -0.10 0.00 0.00 175.22 173.60 3d3i s ILE 509 N 3.21 -0.00 0.66 0.64 2.07 -1.26 -3.98 121.20 122.53 3d3i s ILE 509 Ca 0.37 0.00 -0.11 0.00 -1.41 0.00 0.00 60.65 59.50 3d3i s ILE 509 Cb -0.13 -0.89 -0.02 0.00 0.13 0.00 0.00 42.46 41.55 3d3i s ILE 509 CO 0.14 0.00 1.05 1.51 -1.91 0.00 0.00 174.94 175.74 3d3i s ASP 510 N 0.58 5.89 0.18 4.50 1.47 -1.26 -4.81 116.67 123.21 3d3i s ASP 510 Ca -0.02 1.34 -0.18 0.00 1.18 0.00 0.00 52.55 54.87 3d3i s ASP 510 Cb -0.05 -2.29 0.13 0.00 -0.34 0.00 0.00 42.92 40.38 3d3i s ASP 510 CO -0.03 -1.08 1.63 0.11 0.68 0.00 0.00 175.17 176.48 3d3i h LYS 511 N -0.47 -0.09 -0.21 2.11 1.57 -2.02 0.11 116.57 117.57 3d3i h LYS 511 Ca -0.44 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.39 3d3i h LYS 511 Cb 1.21 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.50 3d3i h LYS 511 CO 0.62 -0.06 -0.10 0.93 -0.57 0.00 0.00 179.45 180.27 3d3i h GLU 512 N -0.10 -0.08 -0.78 3.15 3.07 -1.99 0.26 114.58 118.10 3d3i h GLU 512 Ca 0.22 0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 59.04 3d3i h GLU 512 Cb 0.44 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.34 3d3i h GLU 512 CO -0.53 -0.05 0.31 1.96 -1.40 0.00 0.00 179.01 179.29 3d3i h GLN 513 N -0.08 1.17 -0.25 2.33 4.20 -1.74 -2.21 115.11 118.53 3d3i h GLN 513 Ca 0.11 -0.21 -0.08 0.00 0.06 0.00 0.00 58.65 58.53 3d3i h GLN 513 Cb 0.25 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 3d3i h GLN 513 CO -0.26 0.95 -0.16 1.25 -0.67 0.00 0.00 178.83 179.94 3d3i h LEU 514 N 1.14 0.57 -0.97 1.46 5.85 -0.22 -1.12 115.31 122.02 3d3i h LEU 514 Ca 0.26 -0.43 0.06 0.00 0.84 0.00 0.00 57.88 58.61 3d3i h LEU 514 Cb 0.22 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.03 3d3i h LEU 514 CO -0.02 0.87 0.63 0.44 -0.34 0.00 0.00 178.44 180.02 3d3i h ASP 515 N 0.26 1.01 -0.62 1.25 3.32 -0.40 -1.02 116.42 120.22 3d3i h ASP 515 Ca 0.05 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.04 3d3i h ASP 515 Cb 0.68 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 3d3i h ASP 515 CO 0.04 0.66 0.12 0.50 -1.72 0.00 0.00 179.24 178.84 3d3i h LYS 516 N 1.16 1.01 -0.04 3.56 3.64 -1.24 -0.10 116.57 124.55 3d3i h LYS 516 Ca 0.41 -0.26 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 3d3i h LYS 516 Cb 0.12 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3d3i h LYS 516 CO -0.16 0.94 -0.02 -0.92 -2.27 0.00 0.00 179.45 177.02 3d3i h TYR 517 N 0.92 -0.03 -0.56 1.91 3.20 -0.14 -1.20 116.97 121.07 3d3i h TYR 517 Ca 0.19 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.99 3d3i h TYR 517 Cb 0.40 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 3d3i h TYR 517 CO 0.03 -0.03 0.05 0.28 -1.64 0.00 0.00 178.16 176.85 3d3i h VAL 518 N -0.01 1.25 0.00 1.81 2.07 -1.11 -1.90 116.25 118.36 3d3i h VAL 518 Ca 0.02 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.50 3d3i h VAL 518 Cb 0.04 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 3d3i h VAL 518 CO -0.05 0.37 -0.10 0.00 0.02 0.00 0.00 177.57 177.82 3d3i h ALA 519 N 1.18 1.60 -0.17 1.67 0.00 -0.64 -0.84 119.26 122.05 3d3i h ALA 519 Ca 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3d3i h ALA 519 Cb 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3d3i h ALA 519 CO 0.02 0.12 0.00 0.09 0.00 0.00 0.00 179.25 179.48 3d3i n ASN 520 N -4.08 1.05 0.00 0.00 3.02 -0.48 -4.86 115.26 109.90 3d3i n ASN 520 Ca -0.03 -1.87 0.00 0.00 -0.03 0.00 0.00 54.58 52.65 3d3i n ASN 520 Cb 0.18 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 3d3i n ASN 520 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3d3i n GLY 521 N 0.87 0.53 3.91 7.41 0.00 -0.33 -5.07 105.19 112.51 3d3i n GLY 521 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 3d3i n GLY 521 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3d3i s GLY 522 N -1.00 1.59 -0.13 -0.02 0.00 -0.78 -4.99 107.32 101.98 3d3i s GLY 522 Ca 0.00 -0.59 -0.07 0.00 0.00 0.00 0.00 44.72 44.06 3d3i s GLY 522 CO 0.00 -0.33 0.11 0.54 0.00 0.00 0.00 173.10 173.42 3d3i s LYS 523 N -4.97 3.55 0.45 2.90 1.02 -1.26 -4.08 119.74 117.35 3d3i s LYS 523 Ca 0.53 -0.20 0.13 0.00 0.02 0.00 0.00 55.97 56.45 3d3i s LYS 523 Cb -0.11 -3.18 1.03 0.00 -0.52 0.00 0.00 37.83 35.05 3d3i s LYS 523 CO 0.46 0.65 2.04 0.07 -0.92 0.00 0.00 175.35 177.65 3d3i h ARG 524 N 5.42 0.14 0.00 1.68 0.11 -1.96 -0.57 114.38 119.20 3d3i h ARG 524 Ca -0.51 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.56 3d3i h ARG 524 Cb 1.21 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.26 3d3i h ARG 524 CO 0.62 0.19 0.00 -1.13 0.10 0.00 0.00 179.97 179.74 3d3i n SER 525 N -4.42 0.28 0.29 0.08 3.41 -1.26 -1.88 113.62 110.12 3d3i n SER 525 Ca -0.01 0.59 0.17 0.00 -0.26 0.00 0.00 58.87 59.35 3d3i n SER 525 Cb 0.16 -0.64 0.85 0.00 -0.26 0.00 0.00 64.21 64.32 3d3i n SER 525 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3d3i h ASP 526 N 0.00 0.00 -0.63 4.04 3.32 -1.51 -2.22 116.42 119.42 3d3i h ASP 526 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3d3i h ASP 526 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3d3i h ASP 526 CO 0.00 0.05 0.00 0.79 -1.72 0.00 0.00 179.24 178.36 3d3i n TRP 527 N -3.33 0.84 -3.15 4.55 7.02 -0.79 -4.90 117.44 117.68 3d3i n TRP 527 Ca -0.01 -0.45 -0.41 0.00 -1.02 0.00 0.00 57.50 55.61 3d3i n TRP 527 Cb 0.21 -0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.03 3d3i n TRP 527 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 3d3i s THR 528 N -1.09 4.98 -0.40 -0.99 2.01 -0.84 -4.40 115.64 114.91 3d3i s THR 528 Ca 0.45 0.86 -0.15 0.00 0.31 0.00 0.00 61.69 63.16 3d3i s THR 528 Cb 0.24 -3.94 0.02 0.00 0.01 0.00 0.00 72.50 68.82 3d3i s THR 528 CO 0.32 -0.06 0.33 -0.69 -0.69 0.00 0.00 174.62 173.82 3d3i s VAL 529 N 2.50 5.22 0.69 3.82 1.01 -1.26 -5.05 120.40 127.33 3d3i s VAL 529 Ca 0.24 -0.53 -0.14 0.00 0.00 0.00 0.00 61.98 61.55 3d3i s VAL 529 Cb -0.15 -3.94 0.02 0.00 0.00 0.00 0.00 36.38 32.31 3d3i s VAL 529 CO 0.11 -0.31 1.11 -0.54 0.00 0.00 0.00 175.10 175.47 3d3i s LYS 530 N 1.80 2.65 0.13 2.72 1.02 -1.26 -4.90 119.74 121.89 3d3i s LYS 530 Ca 0.07 1.33 0.08 0.00 0.02 0.00 0.00 55.97 57.46 3d3i s LYS 530 Cb -0.18 -1.94 -0.04 0.00 -0.52 0.00 0.00 37.83 35.15 3d3i s LYS 530 CO 0.11 -1.36 -0.18 0.12 -0.92 0.00 0.00 175.35 173.12 3d3i s PHE 531 N -2.49 1.67 0.08 3.18 5.36 -1.26 -0.93 117.98 123.58 3d3i s PHE 531 Ca 0.65 -0.47 -0.09 0.00 -0.96 0.00 0.00 56.93 56.06 3d3i s PHE 531 Cb -0.20 -0.87 0.00 0.00 -0.34 0.00 0.00 43.02 41.61 3d3i s PHE 531 CO 0.45 0.23 0.20 0.00 -1.46 0.00 0.00 175.22 174.64 3d3i s ALA 532 N -1.74 -0.28 0.13 11.12 0.00 -0.44 -4.84 121.76 125.71 3d3i s ALA 532 Ca 0.10 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.55 3d3i s ALA 532 Cb -0.07 0.43 -0.04 0.00 0.00 0.00 0.00 23.12 23.44 3d3i s ALA 532 CO 0.05 -0.47 0.29 -1.83 0.00 0.00 0.00 175.76 173.79 3d3i s GLU 533 N -3.51 3.47 -0.21 0.00 -1.05 -1.26 -0.88 118.70 115.26 3d3i s GLU 533 Ca 0.02 -0.44 -0.02 0.00 -0.15 0.00 0.00 54.97 54.38 3d3i s GLU 533 Cb 0.03 -2.96 0.01 0.00 -0.44 0.00 0.00 34.13 30.77 3d3i s GLU 533 CO -0.09 0.52 -0.10 -0.80 0.95 0.00 0.00 175.26 175.75 3d3i s ASN 534 N -2.89 3.94 0.08 0.83 0.01 0.19 -4.84 114.94 112.25 3d3i s ASN 534 Ca 0.36 -0.60 0.09 0.00 -0.71 0.00 0.00 52.86 52.00 3d3i s ASN 534 Cb -0.12 -1.64 -0.03 0.00 0.41 0.00 0.00 41.25 39.87 3d3i s ASN 534 CO 0.28 -0.04 -0.23 -0.13 -1.51 0.00 0.00 177.10 175.47 3d3i s ARG 535 N 1.38 1.40 1.03 -0.60 0.52 -1.26 -0.25 118.95 121.17 3d3i s ARG 535 Ca 0.04 -1.12 -0.17 0.00 -0.52 0.00 0.00 55.73 53.96 3d3i s ARG 535 Cb -0.14 -1.64 0.23 0.00 0.52 0.00 0.00 34.95 33.91 3d3i s ARG 535 CO -0.07 0.41 1.29 -1.54 0.02 0.00 0.00 175.30 175.41 3d3i s SER 536 N -1.56 2.53 0.24 0.23 1.04 -0.19 -4.88 113.70 111.11 3d3i s SER 536 Ca 0.09 0.30 -0.05 0.00 0.48 0.00 0.00 55.95 56.77 3d3i s SER 536 Cb -0.10 -0.35 0.39 0.00 0.10 0.00 0.00 66.02 66.07 3d3i s SER 536 CO 0.03 -3.10 1.78 -0.61 0.98 0.00 0.00 173.24 172.33 3d3i h GLN 537 N -1.89 0.64 -0.11 4.02 5.75 -2.01 -1.05 115.11 120.46 3d3i h GLN 537 Ca -0.44 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.02 3d3i h GLN 537 Cb 1.24 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.64 3d3i h GLN 537 CO 0.35 0.43 0.00 -0.40 -2.65 0.00 0.00 178.83 176.55 3d3i n ASP 538 N -4.83 0.63 0.00 -0.69 5.68 -1.26 -4.89 116.55 111.20 3d3i n ASP 538 Ca 0.13 -1.92 0.00 0.00 -0.50 0.00 0.00 54.79 52.50 3d3i n ASP 538 Cb 0.31 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 3d3i n ASP 538 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3d3i n GLY 539 N 0.73 0.77 3.74 6.12 0.00 -0.40 -5.04 105.19 111.10 3d3i n GLY 539 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3d3i n GLY 539 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d3i s THR 540 N -2.86 3.15 -0.17 2.61 2.01 -1.26 -4.69 115.64 114.43 3d3i s THR 540 Ca 0.00 0.95 -0.29 0.00 0.31 0.00 0.00 61.69 62.65 3d3i s THR 540 Cb 0.00 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 68.89 3d3i s THR 540 CO 0.00 0.14 1.30 -0.22 -0.69 0.00 0.00 174.62 175.15 3d3i s LEU 541 N -0.11 4.16 -0.11 4.42 2.96 -1.26 -1.03 118.68 127.71 3d3i s LEU 541 Ca 0.57 1.68 0.18 0.00 -0.22 0.00 0.00 54.13 56.34 3d3i s LEU 541 Cb -0.37 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.54 3d3i s LEU 541 CO 0.39 -0.82 0.33 0.18 -1.32 0.00 0.00 176.35 175.11 3d3i n LEU 542 N 6.79 0.25 0.00 -0.68 4.77 0.66 -4.88 117.00 123.90 3d3i n LEU 542 Ca 0.14 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 3d3i n LEU 542 Cb 0.45 0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.85 3d3i n LEU 542 CO 0.57 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 3d3i n GLY 543 N 1.59 -0.25 3.12 -0.72 0.00 -1.13 -4.20 105.19 103.59 3d3i n GLY 543 Ca -0.22 -0.95 -0.08 0.00 0.00 0.00 0.00 46.02 44.76 3d3i n GLY 543 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3d3i s TYR 544 N -3.98 0.69 0.00 1.61 2.02 0.13 -0.64 117.35 117.18 3d3i s TYR 544 Ca 0.00 -1.11 -0.03 0.00 -0.37 0.00 0.00 57.07 55.56 3d3i s TYR 544 Cb 0.00 -0.44 -0.01 0.00 -0.40 0.00 0.00 41.96 41.11 3d3i s TYR 544 CO 0.00 -0.40 0.04 -1.12 -1.57 0.00 0.00 175.55 172.50 3d3i s SER 545 N -2.98 0.10 0.38 2.29 0.01 -0.05 -1.74 113.70 111.70 3d3i s SER 545 Ca 0.14 -0.25 -0.25 0.00 1.31 0.00 0.00 55.95 56.90 3d3i s SER 545 Cb 0.08 0.14 -0.09 0.00 0.21 0.00 0.00 66.02 66.35 3d3i s SER 545 CO -0.05 -0.25 1.07 -0.76 0.41 0.00 0.00 173.24 173.66 3d3i s LEU 546 N -1.05 4.20 -1.44 2.44 1.43 -0.77 -1.33 118.68 122.16 3d3i s LEU 546 Ca -0.11 2.09 -0.10 0.00 -1.03 0.00 0.00 54.13 54.98 3d3i s LEU 546 Cb -0.07 -4.10 0.05 0.00 0.03 0.00 0.00 46.19 42.10 3d3i s LEU 546 CO 0.00 -0.47 2.38 0.18 0.23 0.00 0.00 176.35 178.68 3d3i n LEU 547 N 0.10 7.60 -3.64 1.79 4.77 -0.10 -4.72 117.00 122.80 3d3i n LEU 547 Ca 0.04 -4.48 -0.05 0.00 -0.03 0.00 0.00 56.01 51.49 3d3i n LEU 547 Cb 0.49 -1.53 -0.07 0.00 -2.33 0.00 0.00 43.42 39.98 3d3i n LEU 547 CO 0.47 1.64 0.57 -1.58 -1.33 0.00 0.00 177.39 177.16 3d3i s GLN 548 N 1.34 0.52 -0.31 3.23 0.74 -1.26 -1.79 119.66 122.12 3d3i s GLN 548 Ca 0.53 0.85 -0.11 0.00 0.05 0.00 0.00 55.36 56.68 3d3i s GLN 548 Cb 0.15 0.13 -0.02 0.00 1.10 0.00 0.00 33.01 34.38 3d3i s GLN 548 CO -0.06 -0.10 0.19 -1.21 -0.55 0.00 0.00 175.29 173.55 3d3i s GLU 549 N 1.24 3.49 0.13 1.67 2.02 0.25 -4.50 118.70 123.00 3d3i s GLU 549 Ca -0.07 -0.63 -0.28 0.00 0.02 0.00 0.00 54.97 54.00 3d3i s GLU 549 Cb -0.04 -3.65 -0.07 0.00 0.10 0.00 0.00 34.13 30.47 3d3i s GLU 549 CO -0.15 -0.39 0.90 -1.12 0.02 0.00 0.00 175.26 174.53 3d3i s SER 550 N 1.67 7.46 0.37 -0.19 0.01 -1.26 -1.67 113.70 120.09 3d3i s SER 550 Ca 0.06 1.74 0.14 0.00 1.31 0.00 0.00 55.95 59.20 3d3i s SER 550 Cb -0.17 -2.56 0.73 0.00 0.21 0.00 0.00 66.02 64.23 3d3i s SER 550 CO 0.08 0.02 1.81 1.62 0.41 0.00 0.00 173.24 177.19 3d3i h VAL 551 N 3.80 1.18 -0.04 3.43 3.04 -1.91 0.24 116.25 126.00 3d3i h VAL 551 Ca -0.44 -1.35 -0.26 0.00 -1.01 0.00 0.00 66.70 63.65 3d3i h VAL 551 Cb 1.21 1.75 0.02 0.00 -2.01 0.00 0.00 31.29 32.25 3d3i h VAL 551 CO 0.70 0.37 -0.98 -2.24 -1.01 0.00 0.00 177.57 174.41 3d3i h ASP 552 N 0.00 0.91 -0.40 3.17 2.03 -1.94 -1.61 116.42 118.58 3d3i h ASP 552 Ca -0.00 -0.70 0.02 0.00 -0.73 0.00 0.00 57.03 55.61 3d3i h ASP 552 Cb 0.71 -0.28 -0.03 0.00 -0.83 0.00 0.00 39.33 38.91 3d3i h ASP 552 CO 0.05 1.50 0.23 -0.61 -1.03 0.00 0.00 179.24 179.39 3d3i h GLN 553 N 0.43 0.46 -0.62 4.15 5.75 -1.85 0.22 115.11 123.65 3d3i h GLN 553 Ca -0.11 -0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.31 3d3i h GLN 553 Cb 1.63 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 30.05 3d3i h GLN 553 CO 0.19 0.30 0.20 0.00 -2.65 0.00 0.00 178.83 176.88 3d3i h ALA 554 N 1.18 1.19 -0.10 3.38 0.00 -0.94 -2.49 119.26 121.48 3d3i h ALA 554 Ca 0.16 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 3d3i h ALA 554 Cb 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3d3i h ALA 554 CO -0.08 0.57 -0.45 0.77 0.00 0.00 0.00 179.25 180.07 3d3i h SER 555 N 0.90 0.26 0.00 0.00 0.02 -0.45 -0.64 113.55 113.64 3d3i h SER 555 Ca 0.20 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3d3i h SER 555 Cb 0.25 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.72 3d3i h SER 555 CO -0.01 0.68 0.00 -1.22 -1.14 0.00 0.00 176.83 175.14 3d3i n TYR 556 N -4.00 0.00 0.00 3.45 4.01 0.69 -1.37 117.16 119.94 3d3i n TYR 556 Ca -0.02 -0.48 0.00 0.00 -0.16 0.00 0.00 57.90 57.25 3d3i n TYR 556 Cb 0.50 -0.28 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 3d3i n TYR 556 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 3d3i n TYR 558 N 0.92 0.00 -0.14 -0.72 9.36 -0.25 -0.39 117.16 125.94 3d3i n TYR 558 Ca 0.00 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.18 3d3i n TYR 558 Cb 0.37 0.00 0.04 0.00 -0.63 0.00 0.00 39.34 39.12 3d3i n TYR 558 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 3d3i h SER 559 N 0.00 0.11 -0.02 2.98 0.87 -1.49 0.18 113.55 116.19 3d3i h SER 559 Ca 0.00 0.06 0.03 0.00 -1.23 0.00 0.00 61.79 60.65 3d3i h SER 559 Cb 0.00 0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 61.99 3d3i h SER 559 CO 0.00 0.09 -0.16 -0.78 -0.53 0.00 0.00 176.83 175.45 3d3i h ASP 560 N 0.29 -0.48 -0.69 6.23 3.58 -1.00 0.97 116.42 125.31 3d3i h ASP 560 Ca 0.21 0.07 -0.04 0.00 0.42 0.00 0.00 57.03 57.70 3d3i h ASP 560 Cb 0.23 0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.46 3d3i h ASP 560 CO -0.24 -0.22 0.28 0.78 -2.88 0.00 0.00 179.24 176.96 3d3i h ASN 561 N -0.26 0.94 0.06 2.28 2.35 -1.74 -0.46 115.58 118.75 3d3i h ASN 561 Ca 0.06 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 3d3i h ASN 561 Cb 0.34 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 3d3i h ASN 561 CO -0.17 0.85 -0.07 -0.74 -1.65 0.00 0.00 177.43 175.65 3d3i h HIS 562 N 0.98 -0.18 -0.05 1.19 2.76 -0.14 -0.69 115.15 119.01 3d3i h HIS 562 Ca 0.23 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.27 3d3i h HIS 562 Cb 0.20 0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.22 3d3i h HIS 562 CO 0.01 -0.11 -0.56 1.88 -1.30 0.00 0.00 177.93 177.85 3d3i h TYR 563 N -0.15 0.19 -0.29 5.26 0.05 -0.73 -2.31 116.97 118.98 3d3i h TYR 563 Ca 0.01 -0.07 -0.09 0.00 0.05 0.00 0.00 58.73 58.63 3d3i h TYR 563 Cb 0.15 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 37.84 3d3i h TYR 563 CO -0.11 0.68 -0.19 -0.07 -1.05 0.00 0.00 178.16 177.42 3d3i h LEU 564 N 0.12 0.53 -0.57 3.88 3.38 -0.85 -2.49 115.31 119.32 3d3i h LEU 564 Ca -0.00 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 3d3i h LEU 564 Cb 1.02 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 3d3i h LEU 564 CO 0.08 0.74 0.06 0.00 0.09 0.00 0.00 178.44 179.40 3d3i h ALA 565 N 1.31 0.76 0.00 1.53 0.00 -0.85 0.53 119.26 122.54 3d3i h ALA 565 Ca 0.08 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3d3i h ALA 565 Cb 0.61 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3d3i h ALA 565 CO 0.04 0.54 0.00 0.39 0.00 0.00 0.00 179.25 180.22 3d3i n GLU 566 N -4.30 0.20 0.00 0.00 1.02 -0.90 -1.91 120.64 114.76 3d3i n GLU 566 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 3d3i n GLU 566 Cb 0.30 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 3d3i n GLU 566 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3d3i n ALA 568 N 0.60 0.00 -0.12 0.62 0.00 0.18 -1.66 120.51 120.13 3d3i n ALA 568 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3d3i n ALA 568 Cb 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.51 3d3i n ALA 568 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3d3i h THR 569 N 0.00 1.19 -0.55 0.00 2.02 -1.59 0.40 112.91 114.38 3d3i h THR 569 Ca 0.00 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.58 3d3i h THR 569 Cb 0.00 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 3d3i h THR 569 CO 0.00 0.21 0.35 0.40 0.37 0.00 0.00 175.52 176.86 3d3i h ILE 570 N 0.43 1.14 -0.24 3.11 2.04 -1.59 -1.54 117.51 120.86 3d3i h ILE 570 Ca 0.12 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.70 3d3i h ILE 570 Cb 0.20 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 3d3i h ILE 570 CO -0.01 0.14 0.00 0.18 0.00 0.00 0.00 178.15 178.46 3d3i n LEU 571 N -4.45 1.74 -2.46 1.44 4.77 -0.97 -4.94 117.00 112.14 3d3i n LEU 571 Ca 0.05 -0.79 -0.15 0.00 -0.03 0.00 0.00 56.01 55.09 3d3i n LEU 571 Cb 0.05 -0.16 0.05 0.00 -2.33 0.00 0.00 43.42 41.04 3d3i n LEU 571 CO 0.36 0.39 0.16 0.61 -1.33 0.00 0.00 177.39 177.58 3d3i n GLY 572 N 1.10 0.00 2.49 -0.72 0.00 -0.51 -4.97 105.19 102.58 3d3i n GLY 572 Ca 0.14 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 3d3i n GLY 572 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3d3i n LYS 573 N -3.36 2.48 -0.29 1.61 5.02 0.13 -4.95 118.16 118.79 3d3i n LYS 573 Ca 0.00 -4.66 0.08 0.00 -2.02 0.00 0.00 58.31 51.72 3d3i n LYS 573 Cb 0.54 -2.27 0.30 0.00 -0.02 0.00 0.00 35.03 33.59 3d3i n LYS 573 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3d3i h PRO 574 N 4.33 0.84 -0.11 1.97 0.13 -1.91 -1.29 132.00 135.96 3d3i h PRO 574 Ca 0.19 -0.05 -0.18 0.00 -0.87 0.00 0.00 66.00 65.10 3d3i h PRO 574 Cb 0.67 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 3d3i h PRO 574 CO 0.83 0.56 -0.67 0.93 -0.23 0.00 0.00 178.00 179.41 3d3i h GLU 575 N 0.87 0.44 -0.16 0.86 4.39 -1.96 -1.74 114.58 117.28 3d3i h GLU 575 Ca 0.43 -0.33 -0.13 0.00 0.34 0.00 0.00 59.36 59.66 3d3i h GLU 575 Cb 0.48 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 3d3i h GLU 575 CO -0.19 0.96 -0.48 0.93 -1.16 0.00 0.00 179.01 179.06 3d3i h GLU 576 N 0.31 0.41 -0.37 2.33 5.08 -1.86 -2.65 114.58 117.84 3d3i h GLU 576 Ca -0.02 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 3d3i h GLU 576 Cb 1.23 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 3d3i h GLU 576 CO 0.12 0.80 0.16 0.00 -1.00 0.00 0.00 179.01 179.09 3d3i h ALA 577 N 1.16 0.48 -0.99 3.43 0.00 -1.05 -2.13 119.26 120.14 3d3i h ALA 577 Ca 0.02 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.84 3d3i h ALA 577 Cb 0.97 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 3d3i h ALA 577 CO 0.08 0.06 0.66 0.87 0.00 0.00 0.00 179.25 180.92 3d3i h LYS 578 N 0.45 1.26 -0.39 0.00 1.57 -1.18 -0.41 116.57 117.87 3d3i h LYS 578 Ca 0.12 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 3d3i h LYS 578 Cb 0.15 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 3d3i h LYS 578 CO -0.01 0.83 0.08 0.00 -0.57 0.00 0.00 179.45 179.78 3d3i h ARG 579 N 1.29 0.63 -0.19 3.15 3.08 -1.18 -1.60 114.38 119.57 3d3i h ARG 579 Ca 0.38 -0.16 -0.11 0.00 0.07 0.00 0.00 59.98 60.16 3d3i h ARG 579 Cb -0.06 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 3d3i h ARG 579 CO -0.11 0.67 -0.36 1.88 -1.07 0.00 0.00 179.97 180.98 3d3i h TYR 580 N 0.48 0.48 -0.66 3.04 0.05 -1.02 -1.85 116.97 117.50 3d3i h TYR 580 Ca 0.12 -0.12 -0.07 0.00 0.05 0.00 0.00 58.73 58.70 3d3i h TYR 580 Cb 0.33 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 37.93 3d3i h TYR 580 CO 0.02 0.72 0.13 -0.09 -1.05 0.00 0.00 178.16 177.89 3d3i h ARG 581 N 0.35 1.07 -0.55 4.88 2.43 -0.90 -0.25 114.38 121.41 3d3i h ARG 581 Ca 0.04 -0.28 -0.04 0.00 -0.81 0.00 0.00 59.98 58.89 3d3i h ARG 581 Cb 0.80 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 3d3i h ARG 581 CO 0.06 0.98 0.18 0.37 -1.51 0.00 0.00 179.97 180.05 3d3i h GLN 582 N 0.99 0.85 -0.70 0.20 4.15 -1.01 -0.54 115.11 119.06 3d3i h GLN 582 Ca 0.20 -0.18 -0.07 0.00 0.77 0.00 0.00 58.65 59.37 3d3i h GLN 582 Cb 0.41 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.95 3d3i h GLN 582 CO 0.01 0.77 0.17 -0.07 -1.93 0.00 0.00 178.83 177.78 3d3i h LEU 583 N 0.77 1.06 -0.09 -2.39 3.38 -1.03 -1.63 115.31 115.38 3d3i h LEU 583 Ca 0.18 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3d3i h LEU 583 Cb 0.27 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3d3i h LEU 583 CO -0.01 1.02 0.05 0.00 0.09 0.00 0.00 178.44 179.59 3d3i h ALA 584 N 1.08 0.12 -0.62 1.53 0.00 -0.76 -2.08 119.26 118.52 3d3i h ALA 584 Ca 0.22 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.17 3d3i h ALA 584 Cb 0.37 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 3d3i h ALA 584 CO 0.00 -0.35 0.26 1.96 0.00 0.00 0.00 179.25 181.12 3d3i h GLN 585 N 0.06 0.45 -0.67 0.00 4.20 -0.85 -0.54 115.11 117.77 3d3i h GLN 585 Ca 0.03 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 3d3i h GLN 585 Cb 0.07 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 3d3i h GLN 585 CO -0.01 0.30 0.19 1.96 -0.67 0.00 0.00 178.83 180.61 3d3i h GLN 586 N 0.47 1.04 -0.45 1.46 4.20 -1.11 -1.07 115.11 119.65 3d3i h GLN 586 Ca 0.31 -0.22 -0.07 0.00 0.06 0.00 0.00 58.65 58.73 3d3i h GLN 586 Cb 0.35 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 3d3i h GLN 586 CO -0.28 0.90 0.02 -0.07 -0.67 0.00 0.00 178.83 178.73 3d3i h LEU 587 N 1.00 0.76 -0.61 1.46 3.38 -0.65 -1.63 115.31 119.02 3d3i h LEU 587 Ca 0.22 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3d3i h LEU 587 Cb 0.31 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3d3i h LEU 587 CO -0.01 0.87 0.34 0.00 0.09 0.00 0.00 178.44 179.74 3d3i h ALA 588 N 0.92 0.78 -0.81 1.53 0.00 -0.82 0.78 119.26 121.64 3d3i h ALA 588 Ca 0.13 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3d3i h ALA 588 Cb 0.47 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3d3i h ALA 588 CO 0.02 0.29 0.38 -0.44 0.00 0.00 0.00 179.25 179.50 3d3i h ASP 589 N 0.83 1.06 -0.33 0.00 3.32 -1.05 -0.68 116.42 119.57 3d3i h ASP 589 Ca 0.22 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 3d3i h ASP 589 Cb 0.03 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 3d3i h ASP 589 CO -0.04 0.90 -0.03 0.22 -1.72 0.00 0.00 179.24 178.57 3d3i h TYR 590 N 1.15 0.66 -0.20 4.55 3.20 -0.68 -0.51 116.97 125.15 3d3i h TYR 590 Ca 0.28 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 62.02 3d3i h TYR 590 Cb 0.13 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 3d3i h TYR 590 CO 0.01 0.74 0.13 0.82 -1.64 0.00 0.00 178.16 178.23 3d3i h ILE 591 N 0.39 1.06 -0.27 1.81 2.04 -0.54 0.19 117.51 122.19 3d3i h ILE 591 Ca 0.09 -0.12 -0.13 0.00 1.00 0.00 0.00 64.86 65.70 3d3i h ILE 591 Cb 0.50 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 3d3i h ILE 591 CO 0.02 0.06 -0.38 0.78 0.00 0.00 0.00 178.15 178.63 3d3i h ASN 592 N 0.26 0.65 0.19 1.72 4.21 -1.08 -3.11 115.58 118.42 3d3i h ASN 592 Ca 0.07 -0.28 -0.25 0.00 1.21 0.00 0.00 56.30 57.05 3d3i h ASN 592 Cb -0.02 -0.18 0.03 0.00 -1.12 0.00 0.00 38.32 37.03 3d3i h ASN 592 CO -0.02 0.96 -1.11 0.74 -1.29 0.00 0.00 177.43 176.71 3d3i h THR 593 N 0.51 1.40 -0.44 2.81 2.02 -0.97 -3.34 112.91 114.90 3d3i h THR 593 Ca 0.05 -2.60 0.00 0.00 0.77 0.00 0.00 66.41 64.63 3d3i h THR 593 Cb 0.88 3.13 0.00 0.00 -1.74 0.00 0.00 68.15 70.42 3d3i h THR 593 CO 0.08 0.76 0.00 0.00 0.37 0.00 0.00 175.52 176.72 3d3i n PHE 596 N 0.61 0.00 -3.75 0.00 7.35 -1.17 -4.26 117.46 116.23 3d3i n PHE 596 Ca 0.19 0.00 -0.37 0.00 -0.76 0.00 0.00 57.45 56.51 3d3i n PHE 596 Cb 0.78 0.00 -0.12 0.00 0.35 0.00 0.00 39.48 40.49 3d3i n PHE 596 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3d3i s ASP 597 N 0.00 5.30 0.25 -2.13 2.15 -0.08 -4.99 116.67 117.16 3d3i s ASP 597 Ca 0.00 -1.53 -0.04 0.00 0.43 0.00 0.00 52.55 51.42 3d3i s ASP 597 Cb 0.00 -1.86 0.42 0.00 -0.30 0.00 0.00 42.92 41.19 3d3i s ASP 597 CO 0.00 -0.43 1.80 -0.65 -0.17 0.00 0.00 175.17 175.72 3d3i h PRO 598 N 8.17 0.72 -0.83 4.34 0.11 -1.97 -0.39 132.00 142.16 3d3i h PRO 598 Ca -0.20 -0.04 0.12 0.00 0.11 0.00 0.00 66.00 65.99 3d3i h PRO 598 Cb 1.07 -0.16 -0.08 0.00 0.11 0.00 0.00 31.00 31.93 3d3i h PRO 598 CO 0.66 0.48 0.45 1.15 -0.21 0.00 0.00 178.00 180.53 3d3i h THR 599 N 0.75 0.81 -0.29 -1.15 2.02 -1.96 -2.24 112.91 110.85 3d3i h THR 599 Ca 0.41 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.35 3d3i h THR 599 Cb 0.42 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 3d3i h THR 599 CO -0.27 0.13 0.00 0.35 0.37 0.00 0.00 175.52 176.10 3d3i n THR 600 N -4.81 0.52 -3.89 3.16 -2.24 -1.07 -4.99 114.28 100.95 3d3i n THR 600 Ca 0.15 -0.76 -0.26 0.00 -2.27 0.00 0.00 64.05 60.91 3d3i n THR 600 Cb 0.36 0.91 0.01 0.00 -2.10 0.00 0.00 70.33 69.51 3d3i n THR 600 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d3i n GLN 601 N 1.01 -4.38 -3.86 -0.78 6.02 -0.18 -4.96 117.38 110.25 3d3i n GLN 601 Ca 0.14 0.52 -0.09 0.00 -0.01 0.00 0.00 57.00 57.56 3d3i n GLN 601 Cb 0.48 -5.05 -0.05 0.00 1.02 0.00 0.00 30.24 26.64 3d3i n GLN 601 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 3d3i s PHE 602 N -3.62 0.11 0.07 1.08 5.36 -1.12 -3.48 117.98 116.38 3d3i s PHE 602 Ca 0.26 -0.47 0.01 0.00 -0.96 0.00 0.00 56.93 55.77 3d3i s PHE 602 Cb -0.13 0.26 -0.04 0.00 -0.34 0.00 0.00 43.02 42.76 3d3i s PHE 602 CO 0.85 -0.90 0.15 0.71 -1.46 0.00 0.00 175.22 174.57 3d3i s TYR 603 N -3.93 3.38 0.15 10.12 2.02 -1.26 -0.90 117.35 126.93 3d3i s TYR 603 Ca 0.14 0.18 -0.09 0.00 -0.37 0.00 0.00 57.07 56.93 3d3i s TYR 603 Cb -0.00 -1.70 -0.01 0.00 -0.40 0.00 0.00 41.96 39.85 3d3i s TYR 603 CO 0.01 0.56 0.26 0.71 -1.57 0.00 0.00 175.55 175.52 3d3i s TYR 604 N -1.46 0.36 0.85 2.71 2.02 -1.26 -4.23 117.35 116.35 3d3i s TYR 604 Ca 0.33 -0.74 -0.11 0.00 -0.37 0.00 0.00 57.07 56.17 3d3i s TYR 604 Cb -0.13 -0.07 0.10 0.00 -0.40 0.00 0.00 41.96 41.46 3d3i s TYR 604 CO 0.25 -0.68 1.09 -0.51 -1.57 0.00 0.00 175.55 174.14 3d3i s ASP 605 N -2.95 3.87 0.07 2.29 1.11 -1.26 -4.47 116.67 115.33 3d3i s ASP 605 Ca 0.15 1.57 0.07 0.00 0.18 0.00 0.00 52.55 54.52 3d3i s ASP 605 Cb 0.04 -2.26 -0.03 0.00 1.07 0.00 0.00 42.92 41.74 3d3i s ASP 605 CO -0.02 -2.40 -0.19 0.68 1.18 0.00 0.00 175.17 174.41 3d3i s VAL 606 N -2.94 1.56 0.51 -1.27 -7.23 -0.67 -0.61 120.40 109.74 3d3i s VAL 606 Ca 0.62 -1.35 -0.12 0.00 -1.81 0.00 0.00 61.98 59.32 3d3i s VAL 606 Cb -0.17 -1.41 -0.06 0.00 0.56 0.00 0.00 36.38 35.30 3d3i s VAL 606 CO 0.56 0.00 0.91 -0.13 -0.31 0.00 0.00 175.10 176.14 3d3i s ARG 607 N -1.59 3.75 -0.78 4.82 0.52 -1.23 -0.58 118.95 123.86 3d3i s ARG 607 Ca 0.05 0.66 -0.17 0.00 -0.52 0.00 0.00 55.73 55.75 3d3i s ARG 607 Cb -0.09 -2.22 0.15 0.00 0.52 0.00 0.00 34.95 33.31 3d3i s ARG 607 CO 0.03 -0.28 0.86 0.42 0.02 0.00 0.00 175.30 176.35 3d3i s ILE 608 N -2.73 5.07 0.91 1.52 1.09 -0.74 -2.50 121.20 123.82 3d3i s ILE 608 Ca 0.54 -1.70 -0.12 0.00 -1.10 0.00 0.00 60.65 58.28 3d3i s ILE 608 Cb -0.10 -4.58 0.14 0.00 -1.06 0.00 0.00 42.46 36.86 3d3i s ILE 608 CO 0.39 -1.21 1.09 -1.61 -0.10 0.00 0.00 174.94 173.50 3d3i s GLU 609 N 1.80 1.11 0.44 2.79 2.02 -0.21 -4.82 118.70 121.83 3d3i s GLU 609 Ca 0.20 0.78 0.21 0.00 0.02 0.00 0.00 54.97 56.19 3d3i s GLU 609 Cb -0.13 -1.80 1.19 0.00 0.10 0.00 0.00 34.13 33.49 3d3i s GLU 609 CO -0.04 -2.33 1.84 -0.44 0.02 0.00 0.00 175.26 174.30 3d3i h ASP 610 N -1.61 0.32 -4.65 -0.19 3.32 -1.95 -3.40 116.42 108.25 3d3i h ASP 610 Ca -0.50 0.04 -0.18 0.00 0.02 0.00 0.00 57.03 56.41 3d3i h ASP 610 Cb 1.29 -0.01 -0.23 0.00 0.22 0.00 0.00 39.33 40.60 3d3i h ASP 610 CO 0.55 0.10 -0.67 -1.59 -1.72 0.00 0.00 179.24 175.91 3d3i s LYS 611 N -5.33 0.26 0.89 3.56 -2.85 -1.26 -5.15 119.74 109.85 3d3i s LYS 611 Ca -0.08 -0.41 -0.11 0.00 -1.00 0.00 0.00 55.97 54.37 3d3i s LYS 611 Cb 0.23 0.10 0.13 0.00 -2.06 0.00 0.00 37.83 36.23 3d3i s LYS 611 CO 0.79 -0.05 1.10 -1.25 0.10 0.00 0.00 175.35 176.04 3d3i s PRO 612 N -1.06 1.26 0.88 1.78 0.04 -1.26 -4.82 135.00 131.82 3d3i s PRO 612 Ca -0.12 1.05 -0.12 0.00 0.04 0.00 0.00 61.00 61.86 3d3i s PRO 612 Cb -0.07 -1.79 0.12 0.00 0.04 0.00 0.00 34.50 32.80 3d3i s PRO 612 CO -0.00 -2.30 1.13 -0.51 0.04 0.00 0.00 177.00 175.35 3d3i s LEU 613 N -6.31 2.19 0.39 -3.56 1.43 0.88 -4.90 118.68 108.80 3d3i s LEU 613 Ca 0.64 1.06 0.09 0.00 -1.03 0.00 0.00 54.13 54.89 3d3i s LEU 613 Cb -0.19 -3.47 0.86 0.00 0.03 0.00 0.00 46.19 43.41 3d3i s LEU 613 CO 0.58 -2.38 1.96 0.00 0.23 0.00 0.00 176.35 176.74 3d3i h ALA 614 N -1.38 1.83 -0.01 4.21 0.00 -1.95 -0.89 119.26 121.08 3d3i h ALA 614 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3d3i h ALA 614 Cb 1.31 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3d3i h ALA 614 CO 0.61 0.04 0.00 0.27 0.00 0.00 0.00 179.25 180.18 3d3i n ASN 615 N -4.48 0.05 0.00 0.00 0.23 -1.26 -4.87 115.26 104.93 3d3i n ASN 615 Ca 0.10 -1.44 0.00 0.00 -0.53 0.00 0.00 54.58 52.71 3d3i n ASN 615 Cb 0.29 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.99 3d3i n ASN 615 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3d3i n GLY 616 N 0.79 1.69 3.77 4.83 0.00 -0.34 -5.05 105.19 110.89 3d3i n GLY 616 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 3d3i n GLY 616 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d3i h ALA 618 N 2.77 1.41 -1.62 0.00 0.00 -1.93 0.25 119.26 120.16 3d3i h ALA 618 Ca -0.50 -0.06 0.39 0.00 0.00 0.00 0.00 54.91 54.74 3d3i h ALA 618 Cb 1.25 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.92 3d3i h ALA 618 CO 0.63 0.08 0.98 0.20 0.00 0.00 0.00 179.25 181.15 3d3i s GLY 619 N -4.15 -0.33 0.47 0.00 0.00 -1.04 -1.05 107.32 101.21 3d3i s GLY 619 Ca -0.04 0.48 -0.18 0.00 0.00 0.00 0.00 44.72 44.97 3d3i s GLY 619 CO 0.57 3.87 0.95 0.54 0.00 0.00 0.00 173.10 179.03 3d3i s LYS 620 N -2.04 4.08 0.38 2.90 1.02 -1.26 -4.65 119.74 120.16 3d3i s LYS 620 Ca 0.24 1.01 -0.28 0.00 0.02 0.00 0.00 55.97 56.97 3d3i s LYS 620 Cb 0.03 -2.17 -0.10 0.00 -0.52 0.00 0.00 37.83 35.07 3d3i s LYS 620 CO -0.04 -0.14 1.40 -1.25 -0.92 0.00 0.00 175.35 174.40 3d3i s PRO 621 N -3.61 4.11 -1.49 -1.68 0.04 -1.26 -3.47 135.00 127.64 3d3i s PRO 621 Ca 0.60 2.38 -0.10 0.00 0.04 0.00 0.00 61.00 63.92 3d3i s PRO 621 Cb -0.09 -2.93 0.01 0.00 0.04 0.00 0.00 34.50 31.53 3d3i s PRO 621 CO 0.22 -0.46 2.54 -0.89 0.04 0.00 0.00 177.00 178.46 3d3i n ILE 622 N 0.43 4.26 0.25 0.56 5.41 0.21 -4.70 119.36 125.78 3d3i n ILE 622 Ca 0.02 -3.21 0.07 0.00 1.00 0.00 0.00 62.75 60.63 3d3i n ILE 622 Cb 0.41 -2.49 0.61 0.00 -0.71 0.00 0.00 39.64 37.46 3d3i n ILE 622 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 176.55 176.18 3d3i h VAL 623 N 3.28 1.01 0.00 1.39 -1.51 -1.89 -2.95 116.25 115.58 3d3i h VAL 623 Ca 0.71 -0.24 -0.00 0.00 -1.23 0.00 0.00 66.70 65.94 3d3i h VAL 623 Cb 0.42 1.13 -0.00 0.00 -2.13 0.00 0.00 31.29 30.71 3d3i h VAL 623 CO 1.74 0.07 -0.01 1.05 -1.23 0.00 0.00 177.57 179.19 3d3i h GLU 624 N 0.00 0.00 -0.08 5.19 9.09 -1.98 -2.18 114.58 124.62 3d3i h GLU 624 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3d3i h GLU 624 Cb 0.12 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.22 3d3i h GLU 624 CO 0.01 0.01 0.00 0.54 0.05 0.00 0.00 179.01 179.62 3d3i n ARG 625 N -3.13 1.51 0.00 1.06 1.74 -1.11 -4.84 116.66 111.89 3d3i n ARG 625 Ca -0.01 -0.76 0.00 0.00 -0.77 0.00 0.00 57.85 56.31 3d3i n ARG 625 Cb 0.19 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 3d3i n ARG 625 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3d3i n GLY 626 N 1.07 -1.04 3.85 -0.13 0.00 -0.82 -4.54 105.19 103.58 3d3i n GLY 626 Ca 0.17 -1.64 -0.34 0.00 0.00 0.00 0.00 46.02 44.21 3d3i n GLY 626 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d3i s LYS 627 N -1.70 3.95 0.30 1.61 1.02 -1.26 -4.92 119.74 118.75 3d3i s LYS 627 Ca 0.00 0.48 -0.01 0.00 0.02 0.00 0.00 55.97 56.47 3d3i s LYS 627 Cb 0.00 -2.77 -0.02 0.00 -0.52 0.00 0.00 37.83 34.52 3d3i s LYS 627 CO 0.00 0.38 0.36 0.20 -0.92 0.00 0.00 175.35 175.36 3d3i s GLY 628 N -1.98 1.62 0.63 -3.33 0.00 -1.26 -1.83 107.32 101.17 3d3i s GLY 628 Ca 0.43 -1.64 0.37 0.00 0.00 0.00 0.00 44.72 43.88 3d3i s GLY 628 CO 0.20 -1.17 2.25 -0.56 0.00 0.00 0.00 173.10 173.82 3d3i h PRO 629 N 2.23 0.00 0.00 2.90 0.13 -1.75 -0.91 132.00 134.60 3d3i h PRO 629 Ca -0.28 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.84 3d3i h PRO 629 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 3d3i h PRO 629 CO 0.40 0.00 -0.03 1.05 -0.23 0.00 0.00 178.00 179.20 3d3i h GLU 630 N 0.00 0.00 -0.02 0.86 9.09 -1.93 -1.99 114.58 120.59 3d3i h GLU 630 Ca 0.01 0.00 0.01 0.00 0.05 0.00 0.00 59.36 59.43 3d3i h GLU 630 Cb 0.14 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.24 3d3i h GLU 630 CO -0.00 0.03 0.03 0.78 0.05 0.00 0.00 179.01 179.90 3d3i h GLY 631 N 0.19 0.00 -1.57 1.06 0.00 -1.33 -1.13 103.07 100.29 3d3i h GLY 631 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3d3i h GLY 631 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 176.54 173.87 3d3i n TRP 632 N -3.67 0.57 -0.12 5.60 2.14 -0.75 -4.13 117.44 117.07 3d3i n TRP 632 Ca -0.02 -0.50 -0.02 0.00 2.07 0.00 0.00 57.50 59.03 3d3i n TRP 632 Cb 0.11 -0.02 0.21 0.00 -0.81 0.00 0.00 31.31 30.80 3d3i n TRP 632 CO 0.00 0.00 0.00 1.03 2.07 0.00 0.00 177.69 180.79 3d3i h SER 633 N 2.50 0.75 0.26 -0.67 0.87 -1.24 -1.33 113.55 114.69 3d3i h SER 633 Ca 0.00 -0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.40 3d3i h SER 633 Cb 0.78 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.54 3d3i h SER 633 CO 0.00 0.73 -0.15 -0.65 -0.53 0.00 0.00 176.83 176.23 3d3i h PRO 634 N 0.79 0.00 0.00 2.24 0.11 -1.79 -0.94 132.00 132.41 3d3i h PRO 634 Ca 0.18 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 3d3i h PRO 634 Cb 0.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.37 3d3i h PRO 634 CO -0.01 0.15 -0.02 -0.07 -0.21 0.00 0.00 178.00 177.84 3d3i h LEU 635 N 0.00 0.02 -0.74 2.35 4.07 -1.63 0.20 115.31 119.58 3d3i h LEU 635 Ca -0.00 -0.87 0.07 0.00 0.08 0.00 0.00 57.88 57.15 3d3i h LEU 635 Cb 0.32 -0.01 -0.06 0.00 1.08 0.00 0.00 40.66 41.99 3d3i h LEU 635 CO 0.02 0.89 0.42 0.15 -1.08 0.00 0.00 178.44 178.84 3d3i h PHE 636 N -0.85 0.78 -0.00 1.13 3.57 -1.11 -2.14 116.94 118.32 3d3i h PHE 636 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3d3i h PHE 636 Cb 0.89 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.39 3d3i h PHE 636 CO 0.23 0.36 -0.11 0.09 -2.23 0.00 0.00 178.31 176.65 3d3i n ASN 637 N -4.75 0.41 -0.42 0.41 3.02 -0.37 -4.73 115.26 108.82 3d3i n ASN 637 Ca 0.10 -0.47 -0.04 0.00 -0.03 0.00 0.00 54.58 54.14 3d3i n ASN 637 Cb 0.20 -0.10 -0.01 0.00 -0.61 0.00 0.00 39.78 39.26 3d3i n ASN 637 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3d3i n GLY 638 N 1.30 0.47 0.09 7.41 0.00 -0.78 -4.66 105.19 109.02 3d3i n GLY 638 Ca 0.14 -0.79 0.08 0.00 0.00 0.00 0.00 46.02 45.45 3d3i n GLY 638 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d3i n ALA 639 N -0.02 2.39 -1.61 4.61 0.00 0.65 -4.96 120.51 121.56 3d3i n ALA 639 Ca -0.05 -0.39 -0.33 0.00 0.00 0.00 0.00 53.44 52.67 3d3i n ALA 639 Cb 0.34 -0.99 0.03 0.00 0.00 0.00 0.00 19.45 18.82 3d3i n ALA 639 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d3i s ALA 640 N -3.25 2.60 0.53 0.00 0.00 -0.85 -4.80 121.76 115.98 3d3i s ALA 640 Ca -0.03 0.57 -0.07 0.00 0.00 0.00 0.00 51.96 52.44 3d3i s ALA 640 Cb 0.10 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 3d3i s ALA 640 CO 0.81 -1.02 0.87 0.95 0.00 0.00 0.00 175.76 177.37 3d3i s THR 641 N -2.23 4.84 0.22 0.00 -4.23 -1.26 -4.90 115.64 108.08 3d3i s THR 641 Ca 0.67 0.43 -0.08 0.00 -1.18 0.00 0.00 61.69 61.53 3d3i s THR 641 Cb -0.20 -3.87 0.18 0.00 1.34 0.00 0.00 72.50 69.95 3d3i s THR 641 CO 0.36 -0.95 1.87 -0.61 -0.54 0.00 0.00 174.62 174.76 3d3i h GLN 642 N 0.05 0.97 -0.55 3.99 5.75 -1.99 -0.98 115.11 122.36 3d3i h GLN 642 Ca -0.46 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 57.97 3d3i h GLN 642 Cb 1.20 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 29.50 3d3i h GLN 642 CO 0.62 0.64 0.29 0.00 -2.65 0.00 0.00 178.83 177.73 3d3i h ALA 643 N 1.33 0.70 -0.25 3.38 0.00 -1.99 0.14 119.26 122.57 3d3i h ALA 643 Ca 0.31 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 3d3i h ALA 643 Cb -0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3d3i h ALA 643 CO -0.11 0.24 -0.37 -0.91 0.00 0.00 0.00 179.25 178.11 3d3i h ASN 644 N 0.74 0.58 -0.30 0.00 2.35 -1.88 -2.58 115.58 114.49 3d3i h ASN 644 Ca 0.19 -0.24 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 3d3i h ASN 644 Cb 0.07 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 3d3i h ASN 644 CO -0.03 0.89 0.11 0.00 -1.65 0.00 0.00 177.43 176.76 3d3i h ALA 645 N 1.14 0.39 -0.93 -0.83 0.00 -0.77 -1.26 119.26 117.00 3d3i h ALA 645 Ca 0.05 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 54.93 3d3i h ALA 645 Cb 0.85 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.44 3d3i h ALA 645 CO 0.07 0.00 0.56 -0.44 0.00 0.00 0.00 179.25 179.45 3d3i h ASP 646 N 0.33 0.82 -0.13 0.00 3.32 -0.82 -0.39 116.42 119.56 3d3i h ASP 646 Ca 0.10 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 3d3i h ASP 646 Cb 0.20 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 3d3i h ASP 646 CO -0.01 0.45 0.02 0.00 -1.72 0.00 0.00 179.24 177.98 3d3i h ALA 647 N 1.50 0.17 -0.67 3.45 0.00 -1.07 -2.90 119.26 119.74 3d3i h ALA 647 Ca 0.45 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.21 3d3i h ALA 647 Cb 0.42 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3d3i h ALA 647 CO -0.26 -0.16 0.44 0.28 0.00 0.00 0.00 179.25 179.55 3d3i h VAL 648 N -0.02 1.17 -0.52 0.00 2.07 -0.64 -2.56 116.25 115.74 3d3i h VAL 648 Ca 0.04 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.25 3d3i h VAL 648 Cb 0.31 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 3d3i h VAL 648 CO 0.00 0.16 0.33 0.58 0.02 0.00 0.00 177.57 178.67 3d3i h VAL 649 N 0.90 1.14 -0.84 2.57 2.07 -1.05 -1.64 116.25 119.40 3d3i h VAL 649 Ca 0.25 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 3d3i h VAL 649 Cb -0.10 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.02 3d3i h VAL 649 CO -0.06 0.14 0.40 0.11 0.02 0.00 0.00 177.57 178.18 3d3i h LYS 650 N 0.71 1.21 -1.48 1.57 1.57 -1.25 -0.90 116.57 117.99 3d3i h LYS 650 Ca 0.19 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3d3i h LYS 650 Cb -0.06 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.03 3d3i h LYS 650 CO -0.04 0.93 0.00 0.28 -0.57 0.00 0.00 179.45 180.05 3d3i n VAL 651 N -4.30 0.42 0.00 0.50 0.31 -0.62 -2.39 118.33 112.25 3d3i n VAL 651 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 3d3i n VAL 651 Cb 0.14 -0.70 0.00 0.00 -0.91 0.00 0.00 33.84 32.38 3d3i n VAL 651 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3d3i n LEU 653 N 0.75 0.00 -4.66 7.52 4.77 -0.34 -3.92 117.00 121.11 3d3i n LEU 653 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.55 3d3i n LEU 653 Cb 0.22 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.29 3d3i n LEU 653 CO 0.00 0.00 0.89 -0.62 -1.33 0.00 0.00 177.39 176.33 3d3i s ASP 654 N 0.00 7.08 0.43 -1.43 -1.08 -1.01 -4.67 116.67 116.00 3d3i s ASP 654 Ca 0.00 1.36 0.29 0.00 -0.52 0.00 0.00 52.55 53.68 3d3i s ASP 654 Cb 0.00 -2.53 1.49 0.00 -1.46 0.00 0.00 42.92 40.42 3d3i s ASP 654 CO 0.00 -0.64 1.89 -0.65 0.52 0.00 0.00 175.17 176.29 3d3i h PRO 655 N 7.45 0.00 -0.06 4.34 0.11 -1.88 -0.48 132.00 141.48 3d3i h PRO 655 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3d3i h PRO 655 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3d3i h PRO 655 CO 0.96 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.38 3d3i n LYS 656 N -2.56 1.87 0.00 1.05 5.02 -1.26 -4.49 118.16 117.78 3d3i n LYS 656 Ca -0.01 -1.27 0.00 0.00 -2.02 0.00 0.00 58.31 55.01 3d3i n LYS 656 Cb 0.11 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 3d3i n LYS 656 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3d3i n GLU 657 N 0.54 0.00 0.00 1.97 -0.58 -0.35 -4.26 120.64 117.95 3d3i n GLU 657 Ca 0.17 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 3d3i n GLU 657 Cb 0.42 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.29 3d3i n GLU 657 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3d3i n PHE 658 N -1.41 0.00 -1.80 -0.32 3.72 -0.80 -1.44 117.46 115.42 3d3i n PHE 658 Ca 0.00 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.99 3d3i n PHE 658 Cb 0.00 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.53 3d3i n PHE 658 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3d3i n ASN 659 N -1.08 6.32 -4.60 4.37 2.85 -0.34 -0.85 115.26 121.93 3d3i n ASN 659 Ca 0.00 -2.88 -0.24 0.00 -0.11 0.00 0.00 54.58 51.34 3d3i n ASN 659 Cb 0.00 -1.53 0.12 0.00 1.24 0.00 0.00 39.78 39.61 3d3i n ASN 659 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 3d3i s THR 660 N 1.44 2.10 0.25 -0.44 -4.23 -1.26 -4.17 115.64 109.32 3d3i s THR 660 Ca 0.53 -0.52 -0.11 0.00 -1.18 0.00 0.00 61.69 60.40 3d3i s THR 660 Cb 0.15 -2.57 0.36 0.00 1.34 0.00 0.00 72.50 71.78 3d3i s THR 660 CO -0.06 0.00 1.57 0.15 -0.54 0.00 0.00 174.62 175.74 3d3i h PHE 661 N -0.69 -0.61 -3.76 3.99 3.57 -1.73 -2.49 116.94 115.22 3d3i h PHE 661 Ca -0.37 0.09 -0.68 0.00 3.53 0.00 0.00 57.97 60.54 3d3i h PHE 661 Cb 1.26 0.41 -0.33 0.00 2.79 0.00 0.00 35.95 40.08 3d3i h PHE 661 CO -0.34 -0.39 -0.72 0.08 -2.23 0.00 0.00 178.31 174.71 3d3i s VAL 662 N -6.19 2.89 0.72 1.41 1.01 -0.68 -4.77 120.40 114.80 3d3i s VAL 662 Ca -0.15 -1.37 -0.12 0.00 0.00 0.00 0.00 61.98 60.35 3d3i s VAL 662 Cb 0.24 -2.65 0.03 0.00 0.00 0.00 0.00 36.38 34.00 3d3i s VAL 662 CO 0.76 -0.07 1.08 -2.84 0.00 0.00 0.00 175.10 174.03 3d3i s PRO 663 N 1.25 2.59 -1.00 2.72 0.02 -0.94 -4.60 135.00 135.04 3d3i s PRO 663 Ca -0.05 1.14 -0.02 0.00 0.02 0.00 0.00 61.00 62.09 3d3i s PRO 663 Cb -0.19 -1.94 -0.03 0.00 0.02 0.00 0.00 34.50 32.36 3d3i s PRO 663 CO -0.02 -1.38 0.85 1.28 -0.33 0.00 0.00 177.00 177.40 3d3i n LEU 664 N -3.16 -4.44 -4.82 -5.54 4.77 -0.03 -4.90 117.00 98.89 3d3i n LEU 664 Ca 0.09 -0.58 -0.30 0.00 -0.03 0.00 0.00 56.01 55.18 3d3i n LEU 664 Cb 0.53 -2.86 0.21 0.00 -2.33 0.00 0.00 43.42 38.97 3d3i n LEU 664 CO 0.53 0.23 0.80 -0.83 -1.33 0.00 0.00 177.39 176.78 3d3i s GLY 665 N -3.83 1.73 0.00 -0.72 0.00 -1.26 -4.42 107.32 98.81 3d3i s GLY 665 Ca 0.18 -1.17 0.19 0.00 0.00 0.00 0.00 44.72 43.92 3d3i s GLY 665 CO 0.65 -0.34 1.54 -0.37 0.00 0.00 0.00 173.10 174.58 3d3i n THR 666 N -4.13 0.00 -3.64 0.90 5.66 -0.29 -4.28 114.28 108.49 3d3i n THR 666 Ca 0.15 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.06 3d3i n THR 666 Cb 0.59 -0.56 -0.07 0.00 -1.55 0.00 0.00 70.33 68.74 3d3i n THR 666 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3d3i s ALA 667 N -2.00 -1.94 0.66 1.79 0.00 -1.26 -4.22 121.76 114.78 3d3i s ALA 667 Ca 0.28 2.12 -0.16 0.00 0.00 0.00 0.00 51.96 54.20 3d3i s ALA 667 Cb 0.13 -1.41 0.00 0.00 0.00 0.00 0.00 23.12 21.84 3d3i s ALA 667 CO 0.21 -0.32 1.17 0.00 0.00 0.00 0.00 175.76 176.82 3d3i s ALA 668 N 0.83 2.37 0.59 0.00 0.00 -0.76 -4.50 121.76 120.28 3d3i s ALA 668 Ca -0.03 0.81 0.29 0.00 0.00 0.00 0.00 51.96 53.02 3d3i s ALA 668 Cb -0.05 -3.41 1.69 0.00 0.00 0.00 0.00 23.12 21.35 3d3i s ALA 668 CO -0.09 -1.44 2.14 -0.07 0.00 0.00 0.00 175.76 176.30 3d3i h LEU 669 N 0.20 0.00 -0.03 0.00 3.38 -1.44 0.12 115.31 117.53 3d3i h LEU 669 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3d3i h LEU 669 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3d3i h LEU 669 CO 0.53 0.00 -0.25 0.35 0.09 0.00 0.00 178.44 179.16 3d3i n THR 670 N -3.83 0.00 -1.77 0.22 -2.24 -1.26 -4.88 114.28 100.51 3d3i n THR 670 Ca 0.00 -0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 3d3i n THR 670 Cb 0.26 -0.09 -0.03 0.00 -2.10 0.00 0.00 70.33 68.38 3d3i n THR 670 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3d3i s ASN 671 N -2.94 6.42 0.48 3.42 3.84 0.03 -4.86 114.94 121.33 3d3i s ASN 671 Ca 0.14 2.83 0.32 0.00 0.21 0.00 0.00 52.86 56.37 3d3i s ASN 671 Cb 0.18 -2.60 1.71 0.00 -0.55 0.00 0.00 41.25 39.99 3d3i s ASN 671 CO 0.60 -0.94 1.99 1.55 -2.79 0.00 0.00 177.10 177.51 3d3i h PRO 672 N 6.54 0.00 -0.41 0.43 0.13 -1.88 -1.53 132.00 135.28 3d3i h PRO 672 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3d3i h PRO 672 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3d3i h PRO 672 CO 0.93 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.70 3d3i n ALA 673 N -1.92 2.56 -1.77 -0.56 0.00 -1.26 -4.85 120.51 112.70 3d3i n ALA 673 Ca -0.02 -1.53 -0.40 0.00 0.00 0.00 0.00 53.44 51.49 3d3i n ALA 673 Cb 0.08 -0.64 0.01 0.00 0.00 0.00 0.00 19.45 18.90 3d3i n ALA 673 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3d3i n PHE 674 N 0.45 2.84 -3.49 0.00 7.35 -0.58 -4.88 117.46 119.15 3d3i n PHE 674 Ca 0.17 0.44 -0.06 0.00 -0.76 0.00 0.00 57.45 57.24 3d3i n PHE 674 Cb 0.64 -2.49 -0.07 0.00 0.35 0.00 0.00 39.48 37.91 3d3i n PHE 674 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3d3i s GLY 675 N -0.34 -0.52 0.62 7.13 0.00 0.12 -5.03 107.32 109.29 3d3i s GLY 675 Ca 0.58 1.50 0.31 0.00 0.00 0.00 0.00 44.72 47.12 3d3i s GLY 675 CO 0.60 2.72 2.08 0.00 0.00 0.00 0.00 173.10 178.49 3d3i h ALA 676 N 8.13 1.62 -0.27 3.20 0.00 -1.92 -1.09 119.26 128.93 3d3i h ALA 676 Ca -0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3d3i h ALA 676 Cb 1.13 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3d3i h ALA 676 CO 0.18 -0.31 0.00 -0.25 0.00 0.00 0.00 179.25 178.87 3d3i n ASP 677 N -3.47 2.73 -4.67 0.00 8.00 -1.26 -4.21 116.55 113.66 3d3i n ASP 677 Ca 0.01 -1.83 -0.41 0.00 0.71 0.00 0.00 54.79 53.26 3d3i n ASP 677 Cb 0.34 -0.17 -0.04 0.00 -0.02 0.00 0.00 41.12 41.22 3d3i n ASP 677 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3d3i s ILE 678 N -1.04 4.90 0.20 0.53 1.01 -0.41 -4.91 121.20 121.48 3d3i s ILE 678 Ca 0.23 1.58 -0.20 0.00 0.00 0.00 0.00 60.65 62.26 3d3i s ILE 678 Cb 0.13 -4.12 0.15 0.00 0.01 0.00 0.00 42.46 38.64 3d3i s ILE 678 CO 0.18 0.05 1.57 1.88 0.00 0.00 0.00 174.94 178.62 3d3i h TYR 679 N 7.31 -1.00 -0.31 3.97 -1.99 -1.93 -2.00 116.97 121.03 3d3i h TYR 679 Ca -0.30 0.08 0.00 0.00 2.00 0.00 0.00 58.73 60.51 3d3i h TYR 679 Cb 1.14 0.54 0.00 0.00 2.00 0.00 0.00 36.73 40.41 3d3i h TYR 679 CO 0.71 -0.39 0.00 0.91 -0.00 0.00 0.00 178.16 179.39 3d3i n TRP 680 N -5.44 0.88 -2.58 4.88 7.02 -1.26 -3.94 117.44 116.99 3d3i n TRP 680 Ca 0.06 -0.77 -0.04 0.00 -1.02 0.00 0.00 57.50 55.73 3d3i n TRP 680 Cb 0.37 -0.25 0.05 0.00 -2.42 0.00 0.00 31.31 29.06 3d3i n TRP 680 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 3d3i n ARG 681 N -0.15 1.91 0.00 -0.99 1.74 -1.07 -4.24 116.66 113.85 3d3i n ARG 681 Ca 0.19 -3.46 0.00 0.00 -0.77 0.00 0.00 57.85 53.81 3d3i n ARG 681 Cb 0.78 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 30.67 3d3i n ARG 681 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3d3i n GLY 682 N -0.51 1.38 3.66 -0.13 0.00 -1.18 -0.70 105.19 107.70 3d3i n GLY 682 Ca 0.15 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 3d3i n GLY 682 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d3i n ARG 683 N 0.00 1.34 -3.52 1.61 5.12 -0.78 -3.28 116.66 117.15 3d3i n ARG 683 Ca 0.00 0.49 -0.37 0.00 -1.93 0.00 0.00 57.85 56.04 3d3i n ARG 683 Cb 0.00 -2.29 -0.08 0.00 -1.16 0.00 0.00 32.46 28.93 3d3i n ARG 683 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3d3i s VAL 684 N -1.36 5.28 0.02 1.55 1.01 0.59 -1.14 120.40 126.35 3d3i s VAL 684 Ca 0.70 0.50 0.03 0.00 0.00 0.00 0.00 61.98 63.21 3d3i s VAL 684 Cb -0.45 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 3d3i s VAL 684 CO 0.51 0.33 -0.02 0.26 0.00 0.00 0.00 175.10 176.17 3d3i s TRP 685 N 0.95 3.00 0.41 5.22 0.52 -1.26 -0.95 118.94 126.83 3d3i s TRP 685 Ca 0.15 0.02 0.15 0.00 0.02 0.00 0.00 56.10 56.43 3d3i s TRP 685 Cb -0.14 -1.62 0.91 0.00 -1.15 0.00 0.00 33.47 31.47 3d3i s TRP 685 CO 0.05 0.44 1.92 0.28 0.02 0.00 0.00 176.95 179.66 3d3i h VAL 686 N 3.43 1.14 -0.03 4.03 2.07 -1.93 -2.05 116.25 122.92 3d3i h VAL 686 Ca -0.48 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.10 3d3i h VAL 686 Cb 1.17 1.51 -0.00 0.00 -1.52 0.00 0.00 31.29 32.45 3d3i h VAL 686 CO 0.57 0.26 -0.03 -2.24 0.02 0.00 0.00 177.57 176.15 3d3i h ASP 687 N 0.00 0.07 0.03 0.57 2.03 -1.93 -1.08 116.42 116.10 3d3i h ASP 687 Ca -0.00 -0.50 -0.05 0.00 -0.73 0.00 0.00 57.03 55.75 3d3i h ASP 687 Cb 0.49 -0.02 -0.01 0.00 -0.83 0.00 0.00 39.33 38.95 3d3i h ASP 687 CO 0.03 0.55 -0.15 1.56 -1.03 0.00 0.00 179.24 180.21 3d3i h GLN 688 N -0.41 0.25 0.21 4.15 1.08 -1.91 0.12 115.11 118.60 3d3i h GLN 688 Ca 0.00 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 3d3i h GLN 688 Cb 0.53 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 3d3i h GLN 688 CO 0.01 0.40 -0.10 0.35 -0.95 0.00 0.00 178.83 178.54 3d3i h PHE 689 N 0.24 -0.27 -0.82 2.96 3.57 -1.31 -1.44 116.94 119.86 3d3i h PHE 689 Ca 0.05 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 3d3i h PHE 689 Cb 0.41 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.20 3d3i h PHE 689 CO 0.01 -0.00 0.38 2.35 -2.23 0.00 0.00 178.31 178.82 3d3i h TRP 690 N -0.51 1.20 -1.01 0.41 7.01 -0.92 -1.34 115.95 120.79 3d3i h TRP 690 Ca -0.03 -0.06 0.06 0.00 2.11 0.00 0.00 58.89 60.96 3d3i h TRP 690 Cb 0.38 -0.37 -0.06 0.00 -2.10 0.00 0.00 29.16 27.01 3d3i h TRP 690 CO 0.00 0.87 0.65 0.74 -2.79 0.00 0.00 178.44 177.92 3d3i h PHE 691 N 1.18 1.22 -0.26 2.65 0.04 -0.67 0.18 116.94 121.28 3d3i h PHE 691 Ca 0.28 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 61.05 3d3i h PHE 691 Cb 0.14 -0.40 -0.01 0.00 2.20 0.00 0.00 35.95 37.88 3d3i h PHE 691 CO 0.02 0.66 0.05 0.78 -0.60 0.00 0.00 178.31 179.21 3d3i h GLY 692 N 1.21 0.45 0.99 -1.45 0.00 -0.33 -0.33 103.07 103.62 3d3i h GLY 692 Ca 0.42 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 47.42 3d3i h GLY 692 CO -0.16 0.27 0.21 1.41 0.00 0.00 0.00 176.54 178.28 3d3i h LEU 693 N 0.24 0.81 -0.78 3.11 4.07 -0.79 -2.81 115.31 119.16 3d3i h LEU 693 Ca 0.08 -0.18 -0.08 0.00 0.08 0.00 0.00 57.88 57.78 3d3i h LEU 693 Cb 0.31 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.81 3d3i h LEU 693 CO 0.00 0.78 0.06 0.11 -1.08 0.00 0.00 178.44 178.31 3d3i h LYS 694 N 0.80 0.98 -0.86 1.13 1.79 -0.91 -0.50 116.57 119.01 3d3i h LYS 694 Ca 0.19 -0.27 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 3d3i h LYS 694 Cb 0.23 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 3d3i h LYS 694 CO -0.01 0.93 0.00 0.41 -1.08 0.00 0.00 179.45 179.70 3d3i n GLY 695 N -0.60 0.49 0.80 3.86 0.00 -0.14 -1.04 105.19 108.56 3d3i n GLY 695 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3d3i n GLY 695 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3d3i n GLU 697 N 0.56 0.00 0.11 1.61 2.13 -0.20 -2.79 120.64 122.06 3d3i n GLU 697 Ca 0.00 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.93 3d3i n GLU 697 Cb 0.10 0.00 0.61 0.00 0.27 0.00 0.00 31.44 32.42 3d3i n GLU 697 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 3d3i h ARG 698 N 0.00 0.12 -0.81 5.31 2.43 -1.34 -1.97 114.38 118.13 3d3i h ARG 698 Ca 0.00 -0.01 -0.36 0.00 -0.81 0.00 0.00 59.98 58.80 3d3i h ARG 698 Cb 0.00 -0.03 -0.21 0.00 -0.42 0.00 0.00 29.97 29.31 3d3i h ARG 698 CO 0.00 0.08 0.42 0.66 -1.51 0.00 0.00 179.97 179.62 3d3i n TYR 699 N -4.48 2.55 -0.41 2.20 4.01 -1.12 -4.92 117.16 114.99 3d3i n TYR 699 Ca 0.03 -1.58 0.00 0.00 -0.16 0.00 0.00 57.90 56.19 3d3i n TYR 699 Cb 0.26 -0.79 0.00 0.00 -0.31 0.00 0.00 39.34 38.50 3d3i n TYR 699 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3d3i n GLY 700 N -0.80 0.74 2.38 2.72 0.00 -0.74 -4.94 105.19 104.55 3d3i n GLY 700 Ca 0.49 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.18 3d3i n GLY 700 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3d3i n TYR 701 N -2.17 3.11 -0.24 1.61 4.01 -1.25 -4.71 117.16 117.52 3d3i n TYR 701 Ca 0.00 -2.76 0.00 0.00 -0.16 0.00 0.00 57.90 54.98 3d3i n TYR 701 Cb 0.00 -1.11 0.23 0.00 -0.31 0.00 0.00 39.34 38.15 3d3i n TYR 701 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3d3i h ARG 702 N 2.24 1.04 -0.51 -0.72 2.43 -1.93 -1.16 114.38 115.77 3d3i h ARG 702 Ca 0.54 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.68 3d3i h ARG 702 Cb 0.83 -0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 30.11 3d3i h ARG 702 CO 1.36 0.69 0.28 -0.44 -1.51 0.00 0.00 179.97 180.35 3d3i h ASP 703 N 1.07 0.43 0.29 -3.80 3.32 -1.98 0.66 116.42 116.40 3d3i h ASP 703 Ca 0.29 0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.23 3d3i h ASP 703 Cb -0.12 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 3d3i h ASP 703 CO -0.06 0.30 -0.50 0.44 -1.72 0.00 0.00 179.24 177.70 3d3i h ASP 704 N 0.55 0.26 -0.49 6.45 3.32 -1.82 -2.36 116.42 122.34 3d3i h ASP 704 Ca 0.21 -0.13 -0.12 0.00 0.02 0.00 0.00 57.03 57.02 3d3i h ASP 704 Cb 0.08 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 3d3i h ASP 704 CO -0.12 0.72 -0.15 0.00 -1.72 0.00 0.00 179.24 177.97 3d3i h ALA 705 N 1.29 0.77 -0.73 3.45 0.00 -0.62 -1.47 119.26 121.94 3d3i h ALA 705 Ca 0.01 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 3d3i h ALA 705 Cb 0.95 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 3d3i h ALA 705 CO 0.08 0.67 0.35 -0.07 0.00 0.00 0.00 179.25 180.27 3d3i h LEU 706 N 0.87 0.95 -0.40 0.00 3.38 -0.71 -0.83 115.31 118.56 3d3i h LEU 706 Ca 0.13 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3d3i h LEU 706 Cb 0.71 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3d3i h LEU 706 CO 0.05 0.82 0.20 0.11 0.09 0.00 0.00 178.44 179.72 3d3i h LYS 707 N 1.02 0.58 -0.46 1.13 1.57 -1.11 -1.63 116.57 117.67 3d3i h LYS 707 Ca 0.25 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.90 3d3i h LYS 707 Cb 0.12 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 3d3i h LYS 707 CO -0.03 0.49 0.08 -0.07 -0.57 0.00 0.00 179.45 179.35 3d3i h LEU 708 N 0.52 0.66 -0.86 2.94 3.38 -0.97 -0.98 115.31 119.99 3d3i h LEU 708 Ca 0.14 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3d3i h LEU 708 Cb 0.10 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3d3i h LEU 708 CO -0.02 0.68 0.14 0.00 0.09 0.00 0.00 178.44 179.33 3d3i h ALA 709 N 1.41 1.06 -0.35 1.53 0.00 -0.76 0.18 119.26 122.32 3d3i h ALA 709 Ca 0.15 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3d3i h ALA 709 Cb 0.31 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3d3i h ALA 709 CO 0.00 0.61 -0.12 0.22 0.00 0.00 0.00 179.25 179.96 3d3i h ASP 710 N 0.94 0.72 -0.64 0.00 3.58 -0.81 -1.09 116.42 119.13 3d3i h ASP 710 Ca 0.20 -0.38 0.01 0.00 0.42 0.00 0.00 57.03 57.28 3d3i h ASP 710 Cb 0.36 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.17 3d3i h ASP 710 CO 0.00 0.94 0.41 0.74 -2.88 0.00 0.00 179.24 178.46 3d3i h THR 711 N 0.50 1.14 -0.33 2.25 2.02 -0.83 -1.35 112.91 116.30 3d3i h THR 711 Ca 0.08 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.98 3d3i h THR 711 Cb 0.65 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 3d3i h THR 711 CO 0.04 0.15 0.21 0.15 0.37 0.00 0.00 175.52 176.44 3d3i h PHE 712 N 0.84 0.43 -0.77 3.16 3.57 -0.79 -0.18 116.94 123.21 3d3i h PHE 712 Ca 0.24 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 3d3i h PHE 712 Cb -0.06 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.50 3d3i h PHE 712 CO -0.04 0.30 0.46 0.35 -2.23 0.00 0.00 178.31 177.15 3d3i h PHE 713 N 0.44 1.01 0.00 0.41 3.57 -0.68 -0.44 116.94 121.24 3d3i h PHE 713 Ca 0.12 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.62 3d3i h PHE 713 Cb -0.01 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.40 3d3i h PHE 713 CO -0.04 0.67 -0.31 0.00 -2.23 0.00 0.00 178.31 176.39 3d3i h ARG 714 N 1.05 0.00 0.00 1.11 3.08 -0.98 -3.39 114.38 115.26 3d3i h ARG 714 Ca 0.28 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.28 3d3i h ARG 714 Cb -0.04 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3d3i h ARG 714 CO -0.05 0.00 -1.55 0.72 -1.07 0.00 0.00 179.97 178.02 3d3i n HIS 715 N -2.83 0.00 -2.17 3.04 8.25 -0.10 -4.95 115.22 116.45 3d3i n HIS 715 Ca 0.03 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.06 3d3i n HIS 715 Cb 0.52 -0.31 -0.02 0.00 1.12 0.00 0.00 29.99 31.29 3d3i n HIS 715 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3d3i s ALA 716 N -2.64 3.41 0.36 -1.41 0.00 -0.20 -4.58 121.76 116.69 3d3i s ALA 716 Ca -0.04 0.52 -0.28 0.00 0.00 0.00 0.00 51.96 52.15 3d3i s ALA 716 Cb 0.06 -3.79 -0.12 0.00 0.00 0.00 0.00 23.12 19.28 3d3i s ALA 716 CO 0.45 -1.71 1.43 1.63 0.00 0.00 0.00 175.76 177.56 3d3i n LYS 717 N 7.36 2.48 -0.78 0.00 4.76 -0.93 -2.84 118.16 128.21 3d3i n LYS 717 Ca 0.17 0.87 0.00 0.00 -2.87 0.00 0.00 58.31 56.48 3d3i n LYS 717 Cb 0.45 -2.55 0.00 0.00 -1.84 0.00 0.00 35.03 31.09 3d3i n LYS 717 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3d3i n GLY 718 N 0.73 0.68 0.28 0.72 0.00 -1.26 -4.81 105.19 101.53 3d3i n GLY 718 Ca 0.03 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.10 3d3i n GLY 718 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3d3i h LEU 719 N 0.00 0.39 -2.45 0.99 5.85 -1.88 -1.70 115.31 116.51 3d3i h LEU 719 Ca 0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3d3i h LEU 719 Cb 0.00 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.07 3d3i h LEU 719 CO 0.00 0.18 0.00 0.35 -0.34 0.00 0.00 178.44 178.63 3d3i n THR 720 N -4.93 0.97 -2.67 1.05 -2.24 -1.26 -4.84 114.28 100.35 3d3i n THR 720 Ca 0.14 -0.90 -0.18 0.00 -2.27 0.00 0.00 64.05 60.85 3d3i n THR 720 Cb 0.38 0.39 0.08 0.00 -2.10 0.00 0.00 70.33 69.08 3d3i n THR 720 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d3i n ALA 721 N 1.36 0.39 -0.97 6.98 0.00 -0.64 -5.02 120.51 122.61 3d3i n ALA 721 Ca 0.22 -1.61 -0.03 0.00 0.00 0.00 0.00 53.44 52.03 3d3i n ALA 721 Cb 0.58 0.31 0.33 0.00 0.00 0.00 0.00 19.45 20.68 3d3i n ALA 721 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3d3i n ASP 722 N -2.80 5.07 -4.90 0.00 5.75 -1.26 -4.94 116.55 113.47 3d3i n ASP 722 Ca 0.13 -3.13 -0.28 0.00 -0.01 0.00 0.00 54.79 51.51 3d3i n ASP 722 Cb 0.48 -0.73 0.02 0.00 -1.03 0.00 0.00 41.12 39.85 3d3i n ASP 722 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3d3i s GLY 723 N -0.92 1.58 0.67 6.12 0.00 -1.26 -0.51 107.32 113.00 3d3i s GLY 723 Ca 0.54 -0.48 -0.14 0.00 0.00 0.00 0.00 44.72 44.65 3d3i s GLY 723 CO 0.14 -0.23 1.09 2.56 0.00 0.00 0.00 173.10 176.66 3d3i s PRO 724 N -4.97 2.85 0.10 2.90 0.04 -1.26 -4.86 135.00 129.80 3d3i s PRO 724 Ca 0.52 1.25 -0.31 0.00 0.04 0.00 0.00 61.00 62.51 3d3i s PRO 724 Cb -0.11 -1.97 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 3d3i s PRO 724 CO 0.47 -1.19 1.25 0.42 0.04 0.00 0.00 177.00 178.00 3d3i s ILE 725 N -2.55 3.72 0.00 0.56 -1.09 -1.26 -4.63 121.20 115.95 3d3i s ILE 725 Ca 0.64 1.28 0.00 0.00 -2.23 0.00 0.00 60.65 60.33 3d3i s ILE 725 Cb -0.18 -3.82 0.00 0.00 -1.58 0.00 0.00 42.46 36.88 3d3i s ILE 725 CO 0.45 0.12 0.00 0.00 -1.23 0.00 0.00 174.94 174.28 3d3i n GLN 726 N 3.61 2.70 -0.03 2.79 6.02 -1.26 0.35 117.38 131.57 3d3i n GLN 726 Ca 0.09 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.87 3d3i n GLN 726 Cb 0.45 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.57 3d3i n GLN 726 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3d3i n GLU 727 N -0.21 0.73 -3.84 -1.09 1.02 -0.73 -4.64 120.64 111.88 3d3i n GLU 727 Ca 0.00 0.25 -0.12 0.00 -0.02 0.00 0.00 57.16 57.28 3d3i n GLU 727 Cb 0.00 -1.67 -0.00 0.00 -0.02 0.00 0.00 31.44 29.74 3d3i n GLU 727 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3d3i n ASN 728 N -3.49 -1.77 -4.03 1.62 0.23 -0.80 -4.41 115.26 102.59 3d3i n ASN 728 Ca -0.35 -2.73 -0.12 0.00 -0.53 0.00 0.00 54.58 50.85 3d3i n ASN 728 Cb 1.02 3.10 -0.12 0.00 -2.08 0.00 0.00 39.78 41.70 3d3i n ASN 728 CO 0.00 0.00 0.00 -0.31 -0.93 0.00 0.00 177.26 176.02 3d3i s TYR 729 N -2.66 0.56 0.01 -2.53 2.02 -0.12 -2.35 117.35 112.29 3d3i s TYR 729 Ca 0.23 -0.46 -0.30 0.00 -0.37 0.00 0.00 57.07 56.16 3d3i s TYR 729 Cb -0.03 -0.35 -0.05 0.00 -0.40 0.00 0.00 41.96 41.13 3d3i s TYR 729 CO 0.16 -0.10 1.28 1.21 -1.57 0.00 0.00 175.55 176.54 3d3i s ASN 730 N -1.41 6.97 0.57 2.29 3.84 -0.08 -0.30 114.94 126.82 3d3i s ASN 730 Ca -0.10 2.02 0.34 0.00 0.21 0.00 0.00 52.86 55.33 3d3i s ASN 730 Cb -0.09 -2.57 1.66 0.00 -0.55 0.00 0.00 41.25 39.70 3d3i s ASN 730 CO 0.00 -0.60 2.11 1.55 -2.79 0.00 0.00 177.10 177.37 3d3i h PRO 731 N 7.33 0.00 0.01 0.43 0.13 -1.76 0.28 132.00 138.41 3d3i h PRO 731 Ca -0.38 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.43 3d3i h PRO 731 Cb 1.19 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 3d3i h PRO 731 CO 0.87 0.05 -1.93 1.28 -0.23 0.00 0.00 178.00 178.04 3d3i n LEU 732 N -3.28 0.87 -0.00 1.56 4.77 -1.26 -1.68 117.00 117.97 3d3i n LEU 732 Ca -0.01 0.28 0.02 0.00 -0.03 0.00 0.00 56.01 56.26 3d3i n LEU 732 Cb 0.23 0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.41 3d3i n LEU 732 CO 0.26 0.47 -0.47 0.35 -1.33 0.00 0.00 177.39 176.68 3d3i n THR 733 N -3.01 0.00 -0.87 -5.08 -2.24 -1.18 -4.68 114.28 97.21 3d3i n THR 733 Ca -0.23 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 3d3i n THR 733 Cb 1.08 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.81 3d3i n THR 733 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d3i n GLY 734 N 2.14 0.79 3.76 3.38 0.00 0.98 -4.81 105.19 111.42 3d3i n GLY 734 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3d3i n GLY 734 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d3i s ALA 735 N -3.07 3.59 0.34 4.61 0.00 -1.26 -2.20 121.76 123.78 3d3i s ALA 735 Ca 0.00 1.37 -0.09 0.00 0.00 0.00 0.00 51.96 53.25 3d3i s ALA 735 Cb 0.00 -3.55 -0.06 0.00 0.00 0.00 0.00 23.12 19.51 3d3i s ALA 735 CO 0.00 -0.79 0.67 -0.65 0.00 0.00 0.00 175.76 174.99 3d3i s GLN 736 N -1.07 3.74 0.11 0.00 -0.21 -1.26 -0.91 119.66 120.05 3d3i s GLN 736 Ca 0.56 0.29 -0.16 0.00 0.02 0.00 0.00 55.36 56.06 3d3i s GLN 736 Cb -0.43 -2.51 0.03 0.00 1.00 0.00 0.00 33.01 31.11 3d3i s GLN 736 CO 0.50 0.10 0.39 -0.65 -2.12 0.00 0.00 175.29 173.51 3d3i s GLN 737 N -3.60 1.03 0.00 2.91 -0.21 -0.99 -4.98 119.66 113.81 3d3i s GLN 737 Ca 0.48 -0.64 0.00 0.00 0.02 0.00 0.00 55.36 55.22 3d3i s GLN 737 Cb -0.11 0.45 0.00 0.00 1.00 0.00 0.00 33.01 34.36 3d3i s GLN 737 CO 0.29 -0.39 0.00 0.41 -2.12 0.00 0.00 175.29 173.48 3d3i n GLY 738 N -0.06 2.00 3.77 3.09 0.00 -1.26 -1.77 105.19 110.95 3d3i n GLY 738 Ca -0.17 -2.12 -0.41 0.00 0.00 0.00 0.00 46.02 43.32 3d3i n GLY 738 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d3i s ALA 739 N -1.89 3.61 0.47 4.61 0.00 -1.26 -4.55 121.76 122.75 3d3i s ALA 739 Ca 0.00 1.48 -0.21 0.00 0.00 0.00 0.00 51.96 53.24 3d3i s ALA 739 Cb 0.00 -3.59 -0.09 0.00 0.00 0.00 0.00 23.12 19.44 3d3i s ALA 739 CO 0.00 -0.92 1.02 -1.25 0.00 0.00 0.00 175.76 174.61 3d3i s PRO 740 N -1.41 3.90 -0.95 0.00 0.04 -1.26 -3.76 135.00 131.55 3d3i s PRO 740 Ca 0.55 1.32 -0.04 0.00 0.04 0.00 0.00 61.00 62.87 3d3i s PRO 740 Cb -0.45 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 31.97 3d3i s PRO 740 CO 0.55 -0.34 0.82 0.09 0.04 0.00 0.00 177.00 178.16 3d3i n ASN 741 N -0.87 -4.01 -4.64 6.66 4.13 0.16 -4.57 115.26 112.11 3d3i n ASN 741 Ca 0.09 -0.42 -0.43 0.00 1.68 0.00 0.00 54.58 55.50 3d3i n ASN 741 Cb 0.53 -3.85 -0.02 0.00 -1.54 0.00 0.00 39.78 34.90 3d3i n ASN 741 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3d3i s PHE 742 N -3.25 3.02 0.12 3.10 5.36 -0.49 -4.24 117.98 121.59 3d3i s PHE 742 Ca 0.27 1.10 -0.26 0.00 -0.96 0.00 0.00 56.93 57.08 3d3i s PHE 742 Cb -0.12 -3.76 -0.06 0.00 -0.34 0.00 0.00 43.02 38.74 3d3i s PHE 742 CO 0.53 -1.04 1.64 0.77 -1.46 0.00 0.00 175.22 175.66 3d3i h SER 743 N 8.41 -0.72 0.58 6.13 0.02 -0.47 -2.17 113.55 125.34 3d3i h SER 743 Ca -0.22 0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.80 3d3i h SER 743 Cb 1.07 0.29 -0.00 0.00 0.14 0.00 0.00 62.40 63.90 3d3i h SER 743 CO 1.03 -0.32 -0.12 4.11 -1.14 0.00 0.00 176.83 180.39 3d3i h TRP 744 N -0.40 0.00 -0.12 3.45 0.09 -1.89 0.32 115.95 117.40 3d3i h TRP 744 Ca 0.05 0.00 -0.13 0.00 0.09 0.00 0.00 58.89 58.90 3d3i h TRP 744 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.71 3d3i h TRP 744 CO -0.27 0.12 -0.45 0.77 0.09 0.00 0.00 178.44 178.71 3d3i h SER 745 N 0.00 0.60 -0.71 0.11 0.02 -1.79 -2.27 113.55 109.52 3d3i h SER 745 Ca -0.00 -0.62 0.01 0.00 -0.84 0.00 0.00 61.79 60.34 3d3i h SER 745 Cb 0.45 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.78 3d3i h SER 745 CO 0.02 1.12 0.47 0.00 -1.14 0.00 0.00 176.83 177.29 3d3i h ALA 746 N 0.50 0.90 -0.20 3.77 0.00 -0.61 0.49 119.26 124.09 3d3i h ALA 746 Ca -0.02 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.87 3d3i h ALA 746 Cb 1.08 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 3d3i h ALA 746 CO 0.09 0.31 0.04 0.00 0.00 0.00 0.00 179.25 179.69 3d3i h ALA 747 N 1.26 0.20 0.00 0.00 0.00 -0.34 -1.39 119.26 119.00 3d3i h ALA 747 Ca 0.26 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 3d3i h ALA 747 Cb -0.10 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3d3i h ALA 747 CO -0.06 -0.39 -0.26 0.45 0.00 0.00 0.00 179.25 178.99 3d3i h HIS 748 N 0.12 0.00 -0.27 0.00 3.86 -1.10 -2.86 115.15 114.90 3d3i h HIS 748 Ca 0.09 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.15 3d3i h HIS 748 Cb 0.09 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.55 3d3i h HIS 748 CO -0.14 0.26 -0.45 -0.07 0.86 0.00 0.00 177.93 178.38 3d3i h LEU 749 N 0.00 0.75 -1.69 2.43 3.38 -0.58 0.18 115.31 119.77 3d3i h LEU 749 Ca -0.00 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3d3i h LEU 749 Cb 0.97 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.51 3d3i h LEU 749 CO 0.03 1.08 0.00 0.00 0.09 0.00 0.00 178.44 179.65 3d3i n TYR 750 N -4.02 0.00 0.00 1.13 9.36 -0.55 -1.35 117.16 121.74 3d3i n TYR 750 Ca -0.02 -0.09 0.00 0.00 3.32 0.00 0.00 57.90 61.10 3d3i n TYR 750 Cb 0.56 -0.11 0.00 0.00 -0.63 0.00 0.00 39.34 39.16 3d3i n TYR 750 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3d3i n LEU 752 N 0.71 0.00 -0.21 2.98 4.77 0.05 -1.44 117.00 123.86 3d3i n LEU 752 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 3d3i n LEU 752 Cb 0.11 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.26 3d3i n LEU 752 CO 0.00 0.00 1.10 0.22 -1.33 0.00 0.00 177.39 177.38 3d3i h TYR 753 N 0.00 0.68 -0.22 -1.77 3.20 -1.47 0.24 116.97 117.63 3d3i h TYR 753 Ca 0.00 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.78 3d3i h TYR 753 Cb 0.00 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.05 3d3i h TYR 753 CO 0.00 0.38 -0.28 -0.97 -1.64 0.00 0.00 178.16 175.66 3d3i h ASN 754 N 0.72 0.63 0.17 -2.11 -0.00 -1.52 -3.36 115.58 110.09 3d3i h ASN 754 Ca 0.25 -0.50 -0.36 0.00 -0.00 0.00 0.00 56.30 55.69 3d3i h ASN 754 Cb 0.04 -0.18 -0.04 0.00 -0.00 0.00 0.00 38.32 38.14 3d3i h ASN 754 CO -0.11 1.00 -2.06 0.47 -0.00 0.00 0.00 177.43 176.74 3d3i n ASP 755 N -4.34 1.71 0.00 1.15 8.00 -1.14 -4.86 116.55 117.08 3d3i n ASP 755 Ca -0.05 0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.62 3d3i n ASP 755 Cb 0.46 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 3d3i n ASP 755 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3d3i n PHE 756 N -3.31 0.00 -2.27 1.24 3.72 0.62 -5.04 117.46 112.43 3d3i n PHE 756 Ca -0.32 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.66 3d3i n PHE 756 Cb 1.05 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.56 3d3i n PHE 756 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3d3i s PHE 757 N -1.42 3.17 0.10 1.38 0.08 0.14 -4.81 117.98 116.62 3d3i s PHE 757 Ca 0.00 1.02 -0.10 0.00 0.12 0.00 0.00 56.93 57.97 3d3i s PHE 757 Cb 0.00 -3.59 0.01 0.00 -0.57 0.00 0.00 43.02 38.87 3d3i s PHE 757 CO 0.00 -2.04 0.24 1.03 -0.10 0.00 0.00 175.22 174.35 3d3i s ARG 758 N 1.57 0.90 0.00 0.44 1.81 -1.26 -4.55 118.95 117.86 3d3i s ARG 758 Ca 0.62 -0.91 0.17 0.00 -1.72 0.00 0.00 55.73 53.89 3d3i s ARG 758 Cb -0.32 0.37 1.00 0.00 -0.45 0.00 0.00 34.95 35.54 3d3i s ARG 758 CO 0.28 -0.30 1.40 1.17 -0.68 0.00 0.00 175.30 177.17