#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 0.56 0.00 0.00 8.00 -1.26 -1.55 116.55 122.30 3d3i n ASP 3 Ca 0.00 0.70 0.14 0.00 0.71 0.00 0.00 54.79 56.34 3d3i n ASP 3 Cb 0.00 -0.80 0.68 0.00 -0.02 0.00 0.00 41.12 40.99 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 -2.19 0.00 -3.49 -2.24 3.02 -1.26 -4.26 115.26 104.84 3d3i n ASN 4 Ca 0.00 0.10 -0.27 0.00 -0.03 0.00 0.00 54.58 54.39 3d3i n ASN 4 Cb 0.12 -0.36 -0.09 0.00 -0.61 0.00 0.00 39.78 38.83 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 -1.36 2.23 -3.22 3.10 4.01 -0.60 -5.09 117.16 116.24 3d3i n TYR 5 Ca 0.11 -3.98 -0.39 0.00 -0.16 0.00 0.00 57.90 53.48 3d3i n TYR 5 Cb 0.27 -0.44 -0.06 0.00 -0.31 0.00 0.00 39.34 38.80 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 -1.68 4.31 -1.33 -0.72 1.02 -1.26 -4.11 119.74 115.97 3d3i s LYS 6 Ca 0.34 0.71 -0.00 0.00 0.02 0.00 0.00 55.97 57.04 3d3i s LYS 6 Cb 0.09 -3.35 0.00 0.00 -0.52 0.00 0.00 37.83 34.06 3d3i s LYS 6 CO -0.09 0.36 0.62 0.09 -0.92 0.00 0.00 175.35 175.41 3d3i n ASN 7 N 2.78 -0.93 -0.02 2.83 3.02 0.15 -4.87 115.26 118.23 3d3i n ASN 7 Ca -0.07 -0.87 -0.00 0.00 -0.03 0.00 0.00 54.58 53.61 3d3i n ASN 7 Cb 0.51 -3.79 0.29 0.00 -0.61 0.00 0.00 39.78 36.18 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 -1.86 1.20 -4.21 2.41 2.07 -1.82 -3.41 116.25 110.62 3d3i h VAL 8 Ca -0.62 -0.75 -0.56 0.00 0.82 0.00 0.00 66.70 65.60 3d3i h VAL 8 Cb 1.36 0.87 -0.30 0.00 -1.52 0.00 0.00 31.29 31.71 3d3i h VAL 8 CO 0.58 0.26 -0.84 -0.63 0.02 0.00 0.00 177.57 176.97 3d3i s ILE 9 N -5.04 1.43 -0.36 4.57 1.01 -1.26 -4.43 121.20 117.11 3d3i s ILE 9 Ca -0.08 -0.76 -0.29 0.00 0.00 0.00 0.00 60.65 59.53 3d3i s ILE 9 Cb 0.16 -1.20 -0.01 0.00 0.01 0.00 0.00 42.46 41.42 3d3i s ILE 9 CO 0.77 0.41 1.65 0.21 0.00 0.00 0.00 174.94 177.97 3d3i s ASN 10 N -0.29 6.06 -0.21 3.58 3.84 0.23 -4.84 114.94 123.31 3d3i s ASN 10 Ca 0.04 1.11 0.15 0.00 0.21 0.00 0.00 52.86 54.37 3d3i s ASN 10 Cb -0.08 -2.53 0.57 0.00 -0.55 0.00 0.00 41.25 38.66 3d3i s ASN 10 CO 0.00 -1.61 1.48 0.54 -2.79 0.00 0.00 177.10 174.73 3d3i n ARG 11 N 8.30 3.04 -2.60 0.43 1.74 -1.26 -4.34 116.66 121.97 3d3i n ARG 11 Ca 0.20 -2.92 -0.29 0.00 -0.77 0.00 0.00 57.85 54.07 3d3i n ARG 11 Cb 0.47 -1.91 -0.01 0.00 -1.02 0.00 0.00 32.46 29.99 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 -2.88 4.84 0.00 0.55 -4.23 -1.26 -0.41 115.64 112.25 3d3i s THR 12 Ca 0.44 0.43 0.00 0.00 -1.18 0.00 0.00 61.69 61.39 3d3i s THR 12 Cb 0.36 -3.82 0.00 0.00 1.34 0.00 0.00 72.50 70.38 3d3i s THR 12 CO 0.09 -0.78 0.00 0.61 -0.54 0.00 0.00 174.62 173.99 3d3i n GLY 13 N -2.01 3.55 2.46 3.99 0.00 -0.98 -4.70 105.19 107.49 3d3i n GLY 13 Ca 0.02 -0.65 -0.27 0.00 0.00 0.00 0.00 46.02 45.12 3d3i n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d3i n ALA 14 N -1.05 2.94 -1.69 4.61 0.00 -1.26 -4.56 120.51 119.50 3d3i n ALA 14 Ca 0.00 -3.35 -0.42 0.00 0.00 0.00 0.00 53.44 49.67 3d3i n ALA 14 Cb 0.00 -0.80 -0.00 0.00 0.00 0.00 0.00 19.45 18.65 3d3i n ALA 14 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3d3i n PRO 15 N 2.61 1.97 0.00 0.00 -0.02 -1.26 -4.93 135.00 133.37 3d3i n PRO 15 Ca 0.28 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 3d3i n PRO 15 Cb 0.46 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 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 0.39 -0.66 0.00 -0.52 1.13 -1.26 -4.17 117.38 112.29 3d3i n GLN 16 Ca 0.06 -0.52 0.00 0.00 -1.94 0.00 0.00 57.00 54.60 3d3i n GLN 16 Cb 0.37 -0.96 0.00 0.00 0.11 0.00 0.00 30.24 29.76 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 -0.03 0.00 0.00 1.08 4.01 -1.26 -4.24 117.16 116.72 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 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.07 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 -3.17 -0.72 5.02 -0.24 -4.61 118.16 114.44 3d3i n LYS 19 Ca 0.00 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.85 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 -3.47 -0.52 0.00 0.00 177.40 173.41 3d3i n ASP 20 N 0.00 5.93 -4.88 4.39 -0.08 -1.26 -1.35 116.55 119.29 3d3i n ASP 20 Ca 0.00 -3.21 -0.30 0.00 -1.51 0.00 0.00 54.79 49.78 3d3i n ASP 20 Cb 0.00 -1.34 -0.00 0.00 2.34 0.00 0.00 41.12 42.12 3d3i n ASP 20 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 3d3i s TYR 21 N -1.91 3.58 0.38 -0.67 2.02 -0.63 -1.23 117.35 118.90 3d3i s TYR 21 Ca 0.31 1.10 0.01 0.00 -0.37 0.00 0.00 57.07 58.13 3d3i s TYR 21 Cb -0.03 -2.54 0.07 0.00 -0.40 0.00 0.00 41.96 39.06 3d3i s TYR 21 CO 0.01 -0.47 0.52 -0.40 -1.57 0.00 0.00 175.55 173.64 3d3i n ASP 22 N -2.38 0.86 0.04 2.29 5.68 0.13 -0.07 116.55 123.09 3d3i n ASP 22 Ca 0.04 -1.69 0.21 0.00 -0.50 0.00 0.00 54.79 52.85 3d3i n ASP 22 Cb 0.54 -0.32 0.73 0.00 -1.14 0.00 0.00 41.12 40.93 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 -0.35 0.00 -0.62 2.11 0.05 -1.93 -1.83 116.97 114.39 3d3i h TYR 23 Ca -0.17 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.41 3d3i h TYR 23 Cb 0.68 0.00 -0.12 0.00 1.01 0.00 0.00 36.73 38.30 3d3i h TYR 23 CO 0.00 0.00 0.20 -0.25 -1.05 0.00 0.00 178.16 177.06 3d3i n ASP 24 N -4.06 4.23 -0.81 3.88 8.00 -1.26 -4.94 116.55 121.59 3d3i n ASP 24 Ca 0.09 -3.31 -0.10 0.00 0.71 0.00 0.00 54.79 52.18 3d3i n ASP 24 Cb 0.62 -0.70 -0.04 0.00 -0.02 0.00 0.00 41.12 40.97 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 -0.45 -4.18 -4.91 -2.24 8.00 -0.69 -4.83 116.55 107.25 3d3i n ASP 25 Ca 0.38 0.24 -0.32 0.00 0.71 0.00 0.00 54.79 55.80 3d3i n ASP 25 Cb 1.28 -2.64 -0.04 0.00 -0.02 0.00 0.00 41.12 39.69 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 -2.39 3.53 0.17 1.24 3.76 -1.26 -4.02 115.29 116.32 3d3i s HIS 26 Ca 0.00 0.31 -0.32 0.00 -0.15 0.00 0.00 55.06 54.91 3d3i s HIS 26 Cb 0.00 -1.81 -0.11 0.00 1.11 0.00 0.00 32.58 31.77 3d3i s HIS 26 CO 0.00 0.60 1.78 1.04 -0.85 0.00 0.00 174.74 177.31 3d3i n GLN 27 N 0.52 2.80 0.00 1.40 1.13 -0.72 0.20 117.38 122.71 3d3i n GLN 27 Ca -0.07 1.01 0.08 0.00 -1.94 0.00 0.00 57.00 56.09 3d3i n GLN 27 Cb 0.52 -2.89 0.50 0.00 0.11 0.00 0.00 30.24 28.48 3d3i n GLN 27 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 3d3i n ARG 28 N 4.78 0.89 -4.48 -1.09 1.85 -0.36 -4.77 116.66 113.48 3d3i n ARG 28 Ca 0.17 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.77 3d3i n ARG 28 Cb 0.36 -1.30 -0.10 0.00 -1.05 0.00 0.00 32.46 30.38 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 2.34 -0.71 2.89 0.08 -1.26 -5.00 117.98 114.33 3d3i s PHE 29 Ca 0.25 -0.38 0.04 0.00 0.12 0.00 0.00 56.93 56.96 3d3i s PHE 29 Cb 0.11 -1.12 0.17 0.00 -0.57 0.00 0.00 43.02 41.61 3d3i s PHE 29 CO 0.19 0.67 0.50 -0.80 -0.10 0.00 0.00 175.22 175.69 3d3i s ASN 30 N -3.55 4.92 0.66 1.36 0.01 -1.26 -4.98 114.94 112.10 3d3i s ASN 30 Ca 0.31 -3.75 -0.17 0.00 -0.71 0.00 0.00 52.86 48.54 3d3i s ASN 30 Cb -0.03 -1.67 0.00 0.00 0.41 0.00 0.00 41.25 39.96 3d3i s ASN 30 CO 0.16 -0.11 1.19 -2.84 -1.51 0.00 0.00 177.10 173.99 3d3i s PRO 31 N -1.32 2.59 -0.22 -0.60 0.02 -1.26 -4.51 135.00 129.69 3d3i s PRO 31 Ca 0.24 1.74 -0.20 0.00 0.02 0.00 0.00 61.00 62.80 3d3i s PRO 31 Cb -0.07 -1.89 -0.02 0.00 0.02 0.00 0.00 34.50 32.53 3d3i s PRO 31 CO -0.14 -1.48 0.60 0.12 -0.33 0.00 0.00 177.00 175.76 3d3i s PHE 32 N -1.86 3.33 0.09 6.54 5.36 0.14 -4.78 117.98 126.79 3d3i s PHE 32 Ca 0.75 0.83 0.08 0.00 -0.96 0.00 0.00 56.93 57.62 3d3i s PHE 32 Cb -0.29 -2.78 -0.03 0.00 -0.34 0.00 0.00 43.02 39.58 3d3i s PHE 32 CO 0.40 -0.22 -0.20 -0.06 -1.46 0.00 0.00 175.22 173.68 3d3i s PHE 33 N 2.09 1.70 0.21 10.12 0.08 -1.26 -2.06 117.98 128.85 3d3i s PHE 33 Ca 0.26 -0.41 -0.20 0.00 0.12 0.00 0.00 56.93 56.70 3d3i s PHE 33 Cb -0.16 -0.95 0.04 0.00 -0.57 0.00 0.00 43.02 41.38 3d3i s PHE 33 CO 0.09 0.16 0.61 0.34 -0.10 0.00 0.00 175.22 176.32 3d3i s ASP 34 N -1.72 -0.36 -1.51 1.36 2.15 -1.26 -4.27 116.67 111.05 3d3i s ASP 34 Ca 0.05 -0.36 0.00 0.00 0.43 0.00 0.00 52.55 52.67 3d3i s ASP 34 Cb -0.10 0.63 0.00 0.00 -0.30 0.00 0.00 42.92 43.16 3d3i s ASP 34 CO 0.03 -1.12 0.00 -0.11 -0.17 0.00 0.00 175.17 173.81 3d3i n LEU 35 N -0.39 -0.75 -0.27 -1.34 7.94 -1.26 -1.43 117.00 119.49 3d3i n LEU 35 Ca -0.10 0.35 -0.04 0.00 -1.11 0.00 0.00 56.01 55.11 3d3i n LEU 35 Cb 0.62 -2.70 -0.02 0.00 0.53 0.00 0.00 43.42 41.86 3d3i n LEU 35 CO 0.15 -1.04 -0.03 0.61 -1.11 0.00 0.00 177.39 175.97 3d3i n GLY 36 N 0.02 0.66 3.63 -3.96 0.00 -1.24 -4.17 105.19 100.13 3d3i n GLY 36 Ca -0.14 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.09 0.87 -0.28 4.61 0.00 -0.52 -0.52 121.76 123.84 3d3i s ALA 37 Ca 0.00 0.15 0.11 0.00 0.00 0.00 0.00 51.96 52.22 3d3i s ALA 37 Cb 0.00 -3.30 0.57 0.00 0.00 0.00 0.00 23.12 20.39 3d3i s ALA 37 CO 0.00 -2.97 1.55 0.91 0.00 0.00 0.00 175.76 175.25 3d3i n TRP 38 N -4.33 1.45 -3.68 0.00 7.02 -1.25 -4.78 117.44 111.87 3d3i n TRP 38 Ca 0.07 -1.35 -0.15 0.00 -1.02 0.00 0.00 57.50 55.06 3d3i n TRP 38 Cb 0.54 -0.52 -0.08 0.00 -2.42 0.00 0.00 31.31 28.84 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 -3.09 -0.33 0.28 -5.99 -3.43 -1.26 -1.52 115.29 99.95 3d3i s HIS 39 Ca 0.47 0.51 0.02 0.00 -0.80 0.00 0.00 55.06 55.26 3d3i s HIS 39 Cb 0.40 0.20 -0.05 0.00 -1.43 0.00 0.00 32.58 31.70 3d3i s HIS 39 CO 0.06 -0.48 0.10 0.20 -2.00 0.00 0.00 174.74 172.62 3d3i s GLY 40 N -1.37 1.86 0.07 -1.38 0.00 -0.03 -4.73 107.32 101.74 3d3i s GLY 40 Ca -0.12 -1.84 0.02 0.00 0.00 0.00 0.00 44.72 42.78 3d3i s GLY 40 CO 0.05 -1.63 -0.08 0.30 0.00 0.00 0.00 173.10 171.75 3d3i s HIS 41 N -3.66 0.83 0.39 1.90 3.76 -0.88 -1.52 115.29 116.11 3d3i s HIS 41 Ca 0.37 -0.69 0.08 0.00 -0.15 0.00 0.00 55.06 54.67 3d3i s HIS 41 Cb 0.07 -0.48 -0.06 0.00 1.11 0.00 0.00 32.58 33.22 3d3i s HIS 41 CO 0.14 -0.09 0.04 -0.51 -0.85 0.00 0.00 174.74 173.48 3d3i s LEU 42 N -2.30 2.95 0.13 0.89 1.43 -0.70 0.24 118.68 121.33 3d3i s LEU 42 Ca 0.01 -1.18 -0.07 0.00 -1.03 0.00 0.00 54.13 51.86 3d3i s LEU 42 Cb -0.03 -1.17 -0.06 0.00 0.03 0.00 0.00 46.19 44.96 3d3i s LEU 42 CO -0.02 -0.39 0.41 -0.76 0.23 0.00 0.00 176.35 175.82 3d3i s LEU 43 N -3.75 4.28 0.51 1.79 1.43 0.45 -3.39 118.68 120.00 3d3i s LEU 43 Ca 0.36 0.70 -0.22 0.00 -1.03 0.00 0.00 54.13 53.95 3d3i s LEU 43 Cb 0.05 -3.25 -0.06 0.00 0.03 0.00 0.00 46.19 42.96 3d3i s LEU 43 CO 0.19 0.07 1.23 -2.16 0.23 0.00 0.00 176.35 175.92 3d3i s PRO 44 N -2.43 3.41 0.00 1.29 0.04 -1.26 -2.33 135.00 133.73 3d3i s PRO 44 Ca 0.39 1.92 0.09 0.00 0.04 0.00 0.00 61.00 63.44 3d3i s PRO 44 Cb -0.13 -2.26 0.21 0.00 0.04 0.00 0.00 34.50 32.37 3d3i s PRO 44 CO 0.22 -0.88 1.13 -0.40 0.04 0.00 0.00 177.00 177.11 3d3i n ASP 45 N -0.88 2.57 0.00 6.66 5.75 -1.26 -4.75 116.55 124.63 3d3i n ASP 45 Ca 0.10 -1.89 0.00 0.00 -0.01 0.00 0.00 54.79 52.98 3d3i n ASP 45 Cb 0.47 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 3d3i n ASP 45 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3d3i n GLY 46 N 0.34 -1.47 0.35 6.12 0.00 -1.26 -4.99 105.19 104.28 3d3i n GLY 46 Ca 0.09 -1.06 0.17 0.00 0.00 0.00 0.00 46.02 45.22 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 0.00 0.00 1.61 0.11 -1.98 -2.45 132.00 129.29 3d3i h PRO 47 Ca 0.00 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 3d3i h PRO 47 Cb 0.00 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 3d3i h PRO 47 CO 0.00 0.00 -0.00 -0.91 -0.21 0.00 0.00 178.00 176.88 3d3i h ASN 48 N 0.00 0.00 -4.15 -2.05 -0.26 -2.02 -3.48 115.58 103.63 3d3i h ASN 48 Ca 0.20 0.00 -0.64 0.00 -0.56 0.00 0.00 56.30 55.30 3d3i h ASN 48 Cb 0.79 0.00 -0.41 0.00 -1.06 0.00 0.00 38.32 37.64 3d3i h ASN 48 CO -0.00 0.00 -0.66 0.42 -1.06 0.00 0.00 177.43 176.13 3d3i s THR 49 N -3.53 2.37 0.00 2.81 -4.23 -0.92 -4.98 115.64 107.16 3d3i s THR 49 Ca 0.03 -3.04 0.00 0.00 -1.18 0.00 0.00 61.69 57.50 3d3i s THR 49 Cb 0.08 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 71.25 3d3i s THR 49 CO 0.58 -0.77 0.00 0.61 -0.54 0.00 0.00 174.62 174.50 3d3i n GLY 51 N 3.37 0.00 3.56 3.99 0.00 -1.26 -4.62 105.19 110.23 3d3i n GLY 51 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.79 0.95 -0.43 -0.02 0.00 -1.26 -1.09 107.32 103.69 3d3i s GLY 52 Ca 0.00 -1.16 -0.05 0.00 0.00 0.00 0.00 44.72 43.51 3d3i s GLY 52 CO 0.00 -0.77 0.25 -1.36 0.00 0.00 0.00 173.10 171.22 3d3i s PHE 53 N -3.39 3.53 1.08 1.90 0.08 -1.26 -4.16 117.98 115.75 3d3i s PHE 53 Ca 0.26 -2.21 -0.16 0.00 0.12 0.00 0.00 56.93 54.94 3d3i s PHE 53 Cb -0.01 -3.28 0.23 0.00 -0.57 0.00 0.00 43.02 39.39 3d3i s PHE 53 CO 0.14 -0.97 1.13 -1.25 -0.10 0.00 0.00 175.22 174.17 3d3i s PRO 54 N 1.22 -0.23 -0.80 0.24 0.04 -1.22 -4.57 135.00 129.68 3d3i s PRO 54 Ca 0.07 0.13 -0.00 0.00 0.04 0.00 0.00 61.00 61.24 3d3i s PRO 54 Cb -0.24 -1.69 -0.00 0.00 0.04 0.00 0.00 34.50 32.60 3d3i s PRO 54 CO -0.03 -3.09 0.67 0.41 0.04 0.00 0.00 177.00 175.00 3d3i n GLY 55 N -1.41 -0.14 3.64 0.56 0.00 -0.23 -1.72 105.19 105.89 3d3i n GLY 55 Ca 0.10 -0.05 -0.44 0.00 0.00 0.00 0.00 46.02 45.63 3d3i n GLY 55 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3d3i n VAL 56 N -3.08 0.61 -3.68 1.61 0.31 -1.11 -4.26 118.33 108.73 3d3i n VAL 56 Ca -0.18 -0.22 -0.37 0.00 -0.01 0.00 0.00 64.34 63.56 3d3i n VAL 56 Cb 0.61 -2.26 -0.12 0.00 -0.91 0.00 0.00 33.84 31.16 3d3i n VAL 56 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3d3i s ALA 57 N 5.46 3.37 -0.17 3.52 0.00 -0.58 -4.00 121.76 129.37 3d3i s ALA 57 Ca 0.94 -1.08 -0.08 0.00 0.00 0.00 0.00 51.96 51.74 3d3i s ALA 57 Cb -0.48 -2.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.32 3d3i s ALA 57 CO 0.43 -0.47 0.09 -0.51 0.00 0.00 0.00 175.76 175.30 3d3i s LEU 58 N 1.60 4.01 -0.73 0.00 1.43 0.59 -0.85 118.68 124.73 3d3i s LEU 58 Ca 0.07 0.19 -0.18 0.00 -1.03 0.00 0.00 54.13 53.18 3d3i s LEU 58 Cb -0.15 -2.01 0.14 0.00 0.03 0.00 0.00 46.19 44.20 3d3i s LEU 58 CO 0.07 0.22 0.81 -0.76 0.23 0.00 0.00 176.35 176.92 3d3i s LEU 59 N 0.09 5.70 -1.30 1.79 1.43 -0.57 -0.65 118.68 125.16 3d3i s LEU 59 Ca 0.07 -1.91 -0.16 0.00 -1.03 0.00 0.00 54.13 51.11 3d3i s LEU 59 Cb -0.12 -2.30 0.10 0.00 0.03 0.00 0.00 46.19 43.90 3d3i s LEU 59 CO 0.00 -0.96 1.76 0.35 0.23 0.00 0.00 176.35 177.73 3d3i n THR 60 N 5.12 3.97 0.00 5.49 -2.24 0.64 -4.75 114.28 122.52 3d3i n THR 60 Ca 0.04 -4.11 0.00 0.00 -2.27 0.00 0.00 64.05 57.71 3d3i n THR 60 Cb 0.45 -2.42 0.00 0.00 -2.10 0.00 0.00 70.33 66.26 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 7.00 0.00 0.00 -0.78 1.02 -1.26 -3.18 120.64 123.44 3d3i n GLU 61 Ca 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 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 0.09 -4.08 3.49 1.02 -1.26 -3.31 120.64 116.59 3d3i n GLU 62 Ca 0.00 -0.33 -0.07 0.00 -0.02 0.00 0.00 57.16 56.74 3d3i n GLU 62 Cb 0.00 -0.61 -0.10 0.00 -0.02 0.00 0.00 31.44 30.71 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 -0.08 0.50 -0.22 -0.32 2.02 -1.19 -3.64 117.35 114.42 3d3i s TYR 63 Ca 0.00 -1.03 -0.07 0.00 -0.37 0.00 0.00 57.07 55.60 3d3i s TYR 63 Cb 0.00 -0.37 -0.04 0.00 -0.40 0.00 0.00 41.96 41.15 3d3i s TYR 63 CO 0.00 -0.37 0.07 -1.50 -1.57 0.00 0.00 175.55 172.18 3d3i s ILE 64 N -3.78 4.59 -0.02 2.71 -1.16 -1.26 -0.26 121.20 122.02 3d3i s ILE 64 Ca 0.06 -0.09 0.01 0.00 -0.51 0.00 0.00 60.65 60.12 3d3i s ILE 64 Cb 0.07 -3.11 0.02 0.00 0.61 0.00 0.00 42.46 40.05 3d3i s ILE 64 CO -0.10 0.39 -0.03 0.20 -2.81 0.00 0.00 174.94 172.60 3d3i s ASN 65 N 1.00 0.57 1.05 4.50 0.01 0.18 -4.95 114.94 117.30 3d3i s ASN 65 Ca 0.04 -0.07 -0.11 0.00 -0.71 0.00 0.00 52.86 52.01 3d3i s ASN 65 Cb -0.14 -0.22 0.16 0.00 0.41 0.00 0.00 41.25 41.46 3d3i s ASN 65 CO 0.03 -0.04 0.80 0.49 -1.51 0.00 0.00 177.10 176.88 3d3i n PHE 66 N 3.72 -3.87 -1.45 2.20 3.72 -1.26 -0.30 117.46 120.22 3d3i n PHE 66 Ca -0.22 -0.71 -0.30 0.00 -0.05 0.00 0.00 57.45 56.17 3d3i n PHE 66 Cb 0.53 -0.68 0.10 0.00 -0.94 0.00 0.00 39.48 38.49 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 -3.69 2.14 0.00 4.37 0.00 -1.26 -4.86 121.76 118.47 3d3i s ALA 68 Ca 0.47 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.34 3d3i s ALA 68 Cb -0.02 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.95 3d3i s ALA 68 CO 0.34 -1.81 0.00 0.45 0.00 0.00 0.00 175.76 174.74 3d3i n SER 69 N -3.50 0.00 -4.73 0.00 2.88 -1.25 -2.71 113.62 104.30 3d3i n SER 69 Ca 0.07 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.21 3d3i n SER 69 Cb 0.55 0.00 -0.05 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 7.30 -0.29 -3.46 0.02 -1.26 -1.07 114.94 115.19 3d3i s ASN 70 Ca 0.00 1.56 -0.01 0.00 -1.02 0.00 0.00 52.86 53.39 3d3i s ASN 70 Cb 0.00 -2.51 0.18 0.00 0.02 0.00 0.00 41.25 38.93 3d3i s ASN 70 CO 0.00 -0.06 0.54 0.12 0.02 0.00 0.00 177.10 177.72 3d3i s PHE 71 N 0.17 -1.42 -0.42 2.20 5.36 -1.26 -1.37 117.98 121.24 3d3i s PHE 71 Ca 0.43 1.40 -0.02 0.00 -0.96 0.00 0.00 56.93 57.77 3d3i s PHE 71 Cb -0.21 0.39 0.00 0.00 -0.34 0.00 0.00 43.02 42.86 3d3i s PHE 71 CO 0.25 -0.86 0.32 -3.47 -1.46 0.00 0.00 175.22 170.00 3d3i n ASP 72 N 5.41 -3.24 -4.69 6.13 2.03 0.65 -4.74 116.55 118.10 3d3i n ASP 72 Ca -0.01 -0.15 -0.42 0.00 0.52 0.00 0.00 54.79 54.73 3d3i n ASP 72 Cb 0.51 -1.86 -0.03 0.00 -0.72 0.00 0.00 41.12 39.02 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 -5.28 4.44 0.06 -0.67 3.52 -0.16 -4.72 118.95 116.14 3d3i s ARG 73 Ca 0.16 1.34 -0.21 0.00 -0.13 0.00 0.00 55.73 56.89 3d3i s ARG 73 Cb -0.07 -3.52 -0.06 0.00 -1.56 0.00 0.00 34.95 29.74 3d3i s ARG 73 CO 0.20 -0.24 0.61 -1.17 -0.81 0.00 0.00 175.30 173.89 3d3i s LEU 74 N 1.73 4.49 0.03 -0.88 2.96 -0.25 -1.50 118.68 125.27 3d3i s LEU 74 Ca 0.48 1.28 0.04 0.00 -0.22 0.00 0.00 54.13 55.71 3d3i s LEU 74 Cb -0.19 -2.96 -0.02 0.00 0.50 0.00 0.00 46.19 43.52 3d3i s LEU 74 CO 0.20 0.20 -0.13 0.42 -1.32 0.00 0.00 176.35 175.72 3d3i s THR 75 N -0.75 1.02 -0.05 3.68 -4.23 0.45 -4.47 115.64 111.29 3d3i s THR 75 Ca 0.31 -0.91 0.05 0.00 -1.18 0.00 0.00 61.69 59.96 3d3i s THR 75 Cb -0.19 -0.92 -0.02 0.00 1.34 0.00 0.00 72.50 72.70 3d3i s THR 75 CO 0.19 0.01 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.40 3d3i s VAL 76 N -0.79 2.56 0.01 2.29 1.01 -1.26 -1.70 120.40 122.52 3d3i s VAL 76 Ca 0.01 -0.91 0.05 0.00 0.00 0.00 0.00 61.98 61.14 3d3i s VAL 76 Cb -0.07 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 3d3i s VAL 76 CO 0.01 0.58 -0.17 0.26 0.00 0.00 0.00 175.10 175.78 3d3i s TRP 77 N -0.54 1.49 -0.06 5.22 0.52 -0.11 -0.25 118.94 125.21 3d3i s TRP 77 Ca 0.07 -0.31 0.01 0.00 0.02 0.00 0.00 56.10 55.88 3d3i s TRP 77 Cb -0.11 -0.93 0.02 0.00 -1.15 0.00 0.00 33.47 31.30 3d3i s TRP 77 CO 0.01 0.01 -0.04 1.14 0.02 0.00 0.00 176.95 178.09 3d3i s GLN 78 N -0.72 0.91 -1.42 4.98 1.03 0.27 -1.51 119.66 123.20 3d3i s GLN 78 Ca 0.06 -0.10 -0.09 0.00 0.04 0.00 0.00 55.36 55.26 3d3i s GLN 78 Cb -0.07 -0.97 0.06 0.00 0.03 0.00 0.00 33.01 32.06 3d3i s GLN 78 CO 0.00 -0.13 0.64 -3.47 -2.54 0.00 0.00 175.29 169.80 3d3i n ASP 79 N 4.31 -4.67 0.00 12.60 2.03 -1.26 -0.79 116.55 128.77 3d3i n ASP 79 Ca -0.20 -0.45 0.00 0.00 0.52 0.00 0.00 54.79 54.66 3d3i n ASP 79 Cb 0.51 -3.79 0.00 0.00 -0.72 0.00 0.00 41.12 37.11 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 -1.40 0.93 3.47 0.27 0.00 -1.26 -5.02 105.19 102.19 3d3i n GLY 80 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.04 2.74 0.17 1.61 2.20 0.03 -5.08 119.74 121.37 3d3i s LYS 81 Ca 0.00 -0.67 -0.30 0.00 -0.36 0.00 0.00 55.97 54.64 3d3i s LYS 81 Cb 0.00 -2.47 -0.08 0.00 -1.51 0.00 0.00 37.83 33.77 3d3i s LYS 81 CO 0.00 0.54 1.30 0.21 -0.36 0.00 0.00 175.35 177.04 3d3i s LYS 82 N -0.50 4.40 0.24 4.03 2.20 -1.26 -0.57 119.74 128.27 3d3i s LYS 82 Ca 0.07 2.01 -0.30 0.00 -0.36 0.00 0.00 55.97 57.39 3d3i s LYS 82 Cb -0.12 -3.22 -0.09 0.00 -1.51 0.00 0.00 37.83 32.89 3d3i s LYS 82 CO 0.02 -0.25 1.10 0.08 -0.36 0.00 0.00 175.35 175.94 3d3i s VAL 83 N 0.30 3.63 -0.49 4.02 1.01 0.65 -4.92 120.40 124.60 3d3i s VAL 83 Ca 0.57 1.54 -0.17 0.00 0.00 0.00 0.00 61.98 63.92 3d3i s VAL 83 Cb -0.35 -3.98 0.07 0.00 0.00 0.00 0.00 36.38 32.12 3d3i s VAL 83 CO 0.36 0.32 0.49 -0.62 0.00 0.00 0.00 175.10 175.66 3d3i s ASP 84 N -0.56 6.18 0.18 3.32 2.15 -1.26 -4.76 116.67 121.92 3d3i s ASP 84 Ca 0.47 -1.17 0.01 0.00 0.43 0.00 0.00 52.55 52.29 3d3i s ASP 84 Cb -0.31 -2.23 -0.04 0.00 -0.30 0.00 0.00 42.92 40.05 3d3i s ASP 84 CO 0.38 -0.75 0.33 -0.36 -0.17 0.00 0.00 175.17 174.61 3d3i s PHE 85 N 2.04 3.48 -0.01 -5.34 0.08 -1.26 -4.55 117.98 112.43 3d3i s PHE 85 Ca 0.08 0.19 0.02 0.00 0.12 0.00 0.00 56.93 57.35 3d3i s PHE 85 Cb -0.22 -1.73 -0.03 0.00 -0.57 0.00 0.00 43.02 40.46 3d3i s PHE 85 CO 0.09 0.45 -0.05 0.95 -0.10 0.00 0.00 175.22 176.56 3d3i s THR 86 N -1.82 3.81 0.01 0.64 -4.23 -0.45 -4.89 115.64 108.72 3d3i s THR 86 Ca 0.36 -0.69 0.00 0.00 -1.18 0.00 0.00 61.69 60.18 3d3i s THR 86 Cb -0.11 -2.66 -0.04 0.00 1.34 0.00 0.00 72.50 71.03 3d3i s THR 86 CO 0.29 0.41 0.07 -0.22 -0.54 0.00 0.00 174.62 174.63 3d3i s LEU 87 N -1.40 3.83 -0.10 4.79 2.96 -1.26 -1.86 118.68 125.64 3d3i s LEU 87 Ca 0.17 0.10 -0.03 0.00 -0.22 0.00 0.00 54.13 54.15 3d3i s LEU 87 Cb -0.11 -2.26 0.05 0.00 0.50 0.00 0.00 46.19 44.37 3d3i s LEU 87 CO 0.08 0.26 0.14 -0.70 -1.32 0.00 0.00 176.35 174.81 3d3i s GLU 88 N -1.79 0.03 -0.00 1.98 2.12 -0.85 -5.01 118.70 115.19 3d3i s GLU 88 Ca 0.23 0.40 0.01 0.00 0.36 0.00 0.00 54.97 55.98 3d3i s GLU 88 Cb -0.12 -0.63 -0.00 0.00 0.26 0.00 0.00 34.13 33.64 3d3i s GLU 88 CO 0.14 -0.40 -0.04 0.00 -0.54 0.00 0.00 175.26 174.42 3d3i s ALA 89 N 2.25 0.35 0.13 6.30 0.00 -1.26 0.24 121.76 129.76 3d3i s ALA 89 Ca 0.04 -0.17 -0.23 0.00 0.00 0.00 0.00 51.96 51.59 3d3i s ALA 89 Cb -0.13 -0.09 0.07 0.00 0.00 0.00 0.00 23.12 22.96 3d3i s ALA 89 CO -0.06 0.08 0.59 1.52 0.00 0.00 0.00 175.76 177.89 3d3i s TYR 90 N -0.08 -0.52 0.19 0.00 -0.85 -0.01 -5.00 117.35 111.08 3d3i s TYR 90 Ca 0.01 0.39 0.06 0.00 -0.52 0.00 0.00 57.07 57.01 3d3i s TYR 90 Cb -0.02 0.51 -0.04 0.00 0.38 0.00 0.00 41.96 42.79 3d3i s TYR 90 CO -0.00 -0.80 0.11 -1.54 -1.52 0.00 0.00 175.55 171.80 3d3i s SER 91 N -2.55 5.30 0.06 -0.18 1.04 -1.26 -0.96 113.70 115.15 3d3i s SER 91 Ca -0.00 -0.25 -0.02 0.00 0.48 0.00 0.00 55.95 56.16 3d3i s SER 91 Cb -0.01 -1.30 -0.04 0.00 0.10 0.00 0.00 66.02 64.77 3d3i s SER 91 CO -0.10 0.04 -0.00 0.27 0.98 0.00 0.00 173.24 174.43 3d3i s ILE 92 N -1.87 0.20 -0.14 -1.02 -4.36 -0.38 -0.67 121.20 112.95 3d3i s ILE 92 Ca 0.31 -1.78 -0.31 0.00 -0.26 0.00 0.00 60.65 58.61 3d3i s ILE 92 Cb -0.09 -1.58 -0.08 0.00 1.25 0.00 0.00 42.46 41.96 3d3i s ILE 92 CO 0.22 -0.91 2.09 -2.65 0.24 0.00 0.00 174.94 173.94 3d3i n PRO 93 N 0.07 2.15 -0.07 0.37 -0.02 -1.26 -1.58 135.00 134.65 3d3i n PRO 93 Ca -0.13 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3d3i n PRO 93 Cb 0.61 -2.98 0.00 0.00 -0.02 0.00 0.00 33.50 31.11 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 5.29 0.49 3.48 -1.23 0.00 -1.26 -4.93 105.19 107.03 3d3i n GLY 94 Ca 0.27 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.17 -1.76 -0.05 4.61 0.00 -0.62 -4.61 121.76 117.17 3d3i s ALA 95 Ca 0.00 0.89 0.05 0.00 0.00 0.00 0.00 51.96 52.90 3d3i s ALA 95 Cb 0.00 0.50 -0.02 0.00 0.00 0.00 0.00 23.12 23.60 3d3i s ALA 95 CO 0.00 -0.69 -0.18 -0.51 0.00 0.00 0.00 175.76 174.39 3d3i s LEU 96 N -2.48 2.54 0.01 0.00 1.43 -0.73 -1.25 118.68 118.20 3d3i s LEU 96 Ca 0.03 -0.28 0.02 0.00 -1.03 0.00 0.00 54.13 52.87 3d3i s LEU 96 Cb -0.01 -1.50 -0.01 0.00 0.03 0.00 0.00 46.19 44.71 3d3i s LEU 96 CO -0.09 0.33 -0.06 -0.69 0.23 0.00 0.00 176.35 176.07 3d3i s VAL 97 N -0.64 0.45 -0.10 -1.59 1.01 -0.13 -0.93 120.40 118.47 3d3i s VAL 97 Ca 0.10 -0.42 -0.07 0.00 0.00 0.00 0.00 61.98 61.58 3d3i s VAL 97 Cb -0.11 -0.41 0.03 0.00 0.00 0.00 0.00 36.38 35.89 3d3i s VAL 97 CO 0.00 0.01 0.25 0.00 0.00 0.00 0.00 175.10 175.36 3d3i s GLN 98 N -0.45 0.26 -0.12 2.72 -2.07 -1.26 -0.83 119.66 117.91 3d3i s GLN 98 Ca -0.01 0.42 0.03 0.00 -1.82 0.00 0.00 55.36 53.98 3d3i s GLN 98 Cb -0.04 0.04 0.01 0.00 -1.09 0.00 0.00 33.01 31.93 3d3i s GLN 98 CO -0.00 -0.08 -0.22 0.15 -1.32 0.00 0.00 175.29 173.82 3d3i s LYS 99 N 0.56 2.88 -0.19 9.60 1.02 0.14 -4.41 119.74 129.34 3d3i s LYS 99 Ca -0.03 -0.81 -0.05 0.00 0.02 0.00 0.00 55.97 55.10 3d3i s LYS 99 Cb -0.05 -2.28 -0.03 0.00 -0.52 0.00 0.00 37.83 34.95 3d3i s LYS 99 CO -0.03 0.05 -0.00 -0.51 -0.92 0.00 0.00 175.35 173.93 3d3i s LEU 100 N 0.67 3.28 -0.10 3.17 1.43 0.44 -2.00 118.68 125.57 3d3i s LEU 100 Ca -0.11 -0.18 0.04 0.00 -1.03 0.00 0.00 54.13 52.85 3d3i s LEU 100 Cb -0.16 -1.82 -0.00 0.00 0.03 0.00 0.00 46.19 44.23 3d3i s LEU 100 CO 0.02 0.09 -0.22 -0.89 0.23 0.00 0.00 176.35 175.58 3d3i s THR 101 N 0.85 2.24 0.26 5.49 2.01 -0.78 -1.21 115.64 124.51 3d3i s THR 101 Ca 0.01 -0.96 0.02 0.00 0.31 0.00 0.00 61.69 61.06 3d3i s THR 101 Cb -0.14 -1.86 -0.03 0.00 0.01 0.00 0.00 72.50 70.47 3d3i s THR 101 CO 0.02 0.56 0.22 0.00 -0.69 0.00 0.00 174.62 174.73 3d3i s ALA 102 N 0.24 1.38 0.05 7.40 0.00 -0.66 -1.33 121.76 128.84 3d3i s ALA 102 Ca -0.15 -1.82 -0.30 0.00 0.00 0.00 0.00 51.96 49.70 3d3i s ALA 102 Cb -0.17 1.40 -0.18 0.00 0.00 0.00 0.00 23.12 24.18 3d3i s ALA 102 CO 0.07 -0.64 1.51 -0.22 0.00 0.00 0.00 175.76 176.48 3d3i h LYS 103 N 2.38 -0.72 0.00 0.00 1.63 -2.00 -3.35 116.57 114.51 3d3i h LYS 103 Ca -0.31 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.54 3d3i h LYS 103 Cb 1.24 0.16 0.00 0.00 -0.60 0.00 0.00 32.23 33.04 3d3i h LYS 103 CO 0.45 -0.44 -1.52 -0.25 -3.45 0.00 0.00 179.45 174.24 3d3i n ASP 104 N -5.38 0.43 -4.12 4.20 8.00 -1.26 -4.95 116.55 113.47 3d3i n ASP 104 Ca -0.12 -0.35 -0.22 0.00 0.71 0.00 0.00 54.79 54.81 3d3i n ASP 104 Cb 0.32 1.47 -0.15 0.00 -0.02 0.00 0.00 41.12 42.75 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 -3.30 1.13 0.02 2.53 1.01 -1.26 -4.08 120.40 116.46 3d3i s VAL 105 Ca -0.01 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.26 3d3i s VAL 105 Cb 0.15 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 35.54 3d3i s VAL 105 CO 0.88 0.23 -0.05 -1.10 0.00 0.00 0.00 175.10 175.06 3d3i s GLN 106 N -0.57 0.40 -0.03 2.72 1.11 -0.72 -1.65 119.66 120.92 3d3i s GLN 106 Ca 0.05 -0.54 0.02 0.00 0.01 0.00 0.00 55.36 54.90 3d3i s GLN 106 Cb -0.06 -0.18 0.01 0.00 -1.01 0.00 0.00 33.01 31.77 3d3i s GLN 106 CO 0.00 0.03 -0.06 0.08 0.01 0.00 0.00 175.29 175.35 3d3i s VAL 107 N -1.03 0.59 0.38 1.09 1.01 -0.35 -0.89 120.40 121.22 3d3i s VAL 107 Ca -0.08 -0.22 0.05 0.00 0.00 0.00 0.00 61.98 61.72 3d3i s VAL 107 Cb -0.07 -0.56 -0.06 0.00 0.00 0.00 0.00 36.38 35.68 3d3i s VAL 107 CO -0.00 0.21 0.04 -0.70 0.00 0.00 0.00 175.10 174.65 3d3i s GLU 108 N 0.46 1.85 0.00 2.72 2.12 0.19 -0.42 118.70 125.61 3d3i s GLU 108 Ca -0.06 -2.06 0.00 0.00 0.36 0.00 0.00 54.97 53.20 3d3i s GLU 108 Cb -0.10 -1.19 0.00 0.00 0.26 0.00 0.00 34.13 33.10 3d3i s GLU 108 CO 0.00 -0.19 0.00 2.41 -0.54 0.00 0.00 175.26 176.95 3d3i n THR 110 N -0.87 0.00 -4.21 -1.70 -1.04 -0.58 -1.19 114.28 104.69 3d3i n THR 110 Ca -0.05 0.00 -0.33 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 69.02 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 2.33 0.22 -4.42 2.96 -0.11 -0.63 118.68 119.02 3d3i s LEU 111 Ca 0.00 -0.57 0.01 0.00 -0.22 0.00 0.00 54.13 53.36 3d3i s LEU 111 Cb 0.00 -1.54 -0.05 0.00 0.50 0.00 0.00 46.19 45.10 3d3i s LEU 111 CO 0.00 0.02 0.06 -0.13 -1.32 0.00 0.00 176.35 174.98 3d3i s ARG 112 N 1.19 1.26 -0.05 1.98 0.52 -0.53 -1.78 118.95 121.54 3d3i s ARG 112 Ca 0.02 -1.65 -0.10 0.00 -0.52 0.00 0.00 55.73 53.49 3d3i s ARG 112 Cb -0.14 -0.21 -0.05 0.00 0.52 0.00 0.00 34.95 35.08 3d3i s ARG 112 CO -0.08 -0.24 0.26 -0.06 0.02 0.00 0.00 175.30 175.21 3d3i s PHE 113 N -3.76 3.64 -0.15 -0.53 0.40 -1.26 0.65 117.98 116.97 3d3i s PHE 113 Ca 0.32 0.70 0.07 0.00 -0.60 0.00 0.00 56.93 57.41 3d3i s PHE 113 Cb 0.07 -2.07 -0.14 0.00 0.51 0.00 0.00 43.02 41.39 3d3i s PHE 113 CO 0.09 0.68 -0.04 0.00 0.70 0.00 0.00 175.22 176.65 3d3i n ALA 114 N 1.73 1.66 -2.67 5.36 0.00 0.21 -4.77 120.51 122.04 3d3i n ALA 114 Ca -0.16 -0.79 -0.12 0.00 0.00 0.00 0.00 53.44 52.37 3d3i n ALA 114 Cb 0.54 0.04 -0.07 0.00 0.00 0.00 0.00 19.45 19.95 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 -2.32 0.00 -2.00 0.00 -4.23 -0.83 -4.98 115.64 101.28 3d3i s THR 115 Ca -0.14 -1.73 0.05 0.00 -1.18 0.00 0.00 61.69 58.70 3d3i s THR 115 Cb 0.05 -2.43 0.15 0.00 1.34 0.00 0.00 72.50 71.61 3d3i s THR 115 CO 0.46 0.00 0.70 -2.65 -0.54 0.00 0.00 174.62 172.60 3d3i n PRO 116 N -0.40 0.27 0.00 3.99 -0.02 -1.26 -2.35 135.00 135.24 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 -1.31 0.00 0.00 -0.02 0.00 0.00 33.50 32.81 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 -0.81 0.00 -3.89 -0.52 5.12 -1.26 -3.76 116.66 111.54 3d3i n ARG 117 Ca 0.04 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.81 3d3i n ARG 117 Cb 0.02 -0.45 -0.15 0.00 -1.16 0.00 0.00 32.46 30.72 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 0.08 0.13 0.55 2.01 -0.99 -2.61 115.64 114.81 3d3i s THR 118 Ca 0.00 0.07 0.04 0.00 0.31 0.00 0.00 61.69 62.11 3d3i s THR 118 Cb 0.00 -0.15 -0.04 0.00 0.01 0.00 0.00 72.50 72.33 3d3i s THR 118 CO 0.00 0.08 0.10 -0.94 -0.69 0.00 0.00 174.62 173.18 3d3i s SER 119 N 0.61 5.47 -0.10 3.53 1.04 -0.05 -0.62 113.70 123.58 3d3i s SER 119 Ca -0.05 -0.10 0.04 0.00 0.48 0.00 0.00 55.95 56.31 3d3i s SER 119 Cb -0.08 -1.43 0.00 0.00 0.10 0.00 0.00 66.02 64.61 3d3i s SER 119 CO -0.01 0.11 -0.23 -0.22 0.98 0.00 0.00 173.24 173.86 3d3i s LEU 120 N -2.80 2.12 -0.20 2.42 2.96 0.21 -1.41 118.68 121.98 3d3i s LEU 120 Ca 0.30 -0.55 -0.03 0.00 -0.22 0.00 0.00 54.13 53.63 3d3i s LEU 120 Cb -0.11 -1.42 -0.01 0.00 0.50 0.00 0.00 46.19 45.15 3d3i s LEU 120 CO 0.22 0.15 -0.07 -0.22 -1.32 0.00 0.00 176.35 175.12 3d3i s LEU 121 N 0.38 2.83 -0.26 -0.68 2.96 0.36 -1.46 118.68 122.82 3d3i s LEU 121 Ca -0.18 -0.38 -0.10 0.00 -0.22 0.00 0.00 54.13 53.25 3d3i s LEU 121 Cb -0.18 -1.70 -0.05 0.00 0.50 0.00 0.00 46.19 44.76 3d3i s LEU 121 CO 0.08 0.03 0.17 -0.70 -1.32 0.00 0.00 176.35 174.60 3d3i s GLU 122 N 1.19 3.95 -0.46 1.98 2.12 0.20 -1.52 118.70 126.15 3d3i s GLU 122 Ca 0.02 -0.33 -0.04 0.00 0.36 0.00 0.00 54.97 54.99 3d3i s GLU 122 Cb -0.14 -3.58 0.12 0.00 0.26 0.00 0.00 34.13 30.79 3d3i s GLU 122 CO -0.02 -0.11 0.27 0.99 -0.54 0.00 0.00 175.26 175.85 3d3i s THR 123 N 1.53 3.53 -0.39 -1.70 2.01 -0.14 -1.52 115.64 118.97 3d3i s THR 123 Ca 0.07 -2.17 -0.20 0.00 0.31 0.00 0.00 61.69 59.70 3d3i s THR 123 Cb -0.15 -3.38 0.01 0.00 0.01 0.00 0.00 72.50 68.99 3d3i s THR 123 CO 0.08 -0.74 0.61 -0.75 -0.69 0.00 0.00 174.62 173.13 3d3i s LYS 124 N 0.96 3.48 -0.17 4.92 2.20 -0.33 -1.06 119.74 129.74 3d3i s LYS 124 Ca 0.09 -0.19 -0.04 0.00 -0.36 0.00 0.00 55.97 55.48 3d3i s LYS 124 Cb -0.23 -3.87 -0.02 0.00 -1.51 0.00 0.00 37.83 32.20 3d3i s LYS 124 CO -0.04 -0.84 -0.04 0.42 -0.36 0.00 0.00 175.35 174.50 3d3i s ILE 125 N 2.68 3.75 -0.24 5.43 1.01 0.18 -0.64 121.20 133.38 3d3i s ILE 125 Ca 0.22 -0.39 -0.04 0.00 0.00 0.00 0.00 60.65 60.44 3d3i s ILE 125 Cb -0.15 -2.66 0.00 0.00 0.01 0.00 0.00 42.46 39.66 3d3i s ILE 125 CO 0.16 0.47 -0.01 -0.89 0.00 0.00 0.00 174.94 174.67 3d3i s THR 126 N 0.70 3.46 -0.20 2.92 2.01 -0.07 -1.19 115.64 123.28 3d3i s THR 126 Ca -0.02 -0.63 -0.14 0.00 0.31 0.00 0.00 61.69 61.21 3d3i s THR 126 Cb -0.14 -2.66 0.06 0.00 0.01 0.00 0.00 72.50 69.76 3d3i s THR 126 CO 0.02 0.29 0.50 -0.55 -0.69 0.00 0.00 174.62 174.19 3d3i s SER 127 N 1.46 -0.59 0.00 3.53 0.15 -1.26 -1.75 113.70 115.24 3d3i s SER 127 Ca 0.04 1.05 0.29 0.00 0.70 0.00 0.00 55.95 58.03 3d3i s SER 127 Cb -0.15 0.99 1.31 0.00 -1.71 0.00 0.00 66.02 66.46 3d3i s SER 127 CO -0.02 -0.19 1.92 -0.46 1.20 0.00 0.00 173.24 175.69 3d3i n ASN 128 N 3.64 0.27 -4.08 5.45 6.94 -1.26 -1.93 115.26 124.29 3d3i n ASN 128 Ca -0.18 -0.36 -0.09 0.00 -0.02 0.00 0.00 54.58 53.93 3d3i n ASN 128 Cb 0.56 -0.16 -0.09 0.00 -2.36 0.00 0.00 39.78 37.74 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 -2.55 0.93 0.78 -3.83 1.02 -1.26 -5.01 119.74 109.81 3d3i s LYS 129 Ca 0.27 -1.31 -0.14 0.00 0.02 0.00 0.00 55.97 54.81 3d3i s LYS 129 Cb 0.20 0.28 0.07 0.00 -0.52 0.00 0.00 37.83 37.85 3d3i s LYS 129 CO 0.48 -0.28 1.21 -2.14 -0.92 0.00 0.00 175.35 173.70 3d3i s PRO 130 N -4.00 1.83 0.09 -1.68 0.02 -1.19 -4.31 135.00 125.77 3d3i s PRO 130 Ca 0.19 1.77 -0.06 0.00 0.02 0.00 0.00 61.00 62.91 3d3i s PRO 130 Cb 0.06 -1.80 -0.02 0.00 0.02 0.00 0.00 34.50 32.77 3d3i s PRO 130 CO -0.01 -2.07 0.12 -0.51 -0.33 0.00 0.00 177.00 174.20 3d3i s LEU 131 N -5.48 1.73 -0.13 -5.54 1.43 -0.70 -4.90 118.68 105.09 3d3i s LEU 131 Ca 0.74 -0.81 -0.01 0.00 -1.03 0.00 0.00 54.13 53.01 3d3i s LEU 131 Cb -0.29 0.74 -0.02 0.00 0.03 0.00 0.00 46.19 46.65 3d3i s LEU 131 CO 0.49 -0.70 -0.10 -1.81 0.23 0.00 0.00 176.35 174.45 3d3i s ASP 132 N -2.90 4.26 -0.01 2.29 1.01 -0.57 -1.26 116.67 119.49 3d3i s ASP 132 Ca 0.08 -0.26 0.02 0.00 0.71 0.00 0.00 52.55 53.10 3d3i s ASP 132 Cb 0.06 -1.63 -0.03 0.00 1.01 0.00 0.00 42.92 42.32 3d3i s ASP 132 CO -0.09 0.18 -0.02 -0.76 0.21 0.00 0.00 175.17 174.69 3d3i s LEU 133 N 0.29 3.41 -0.02 1.23 1.43 0.16 -0.94 118.68 124.24 3d3i s LEU 133 Ca -0.08 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 52.99 3d3i s LEU 133 Cb -0.15 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 44.15 3d3i s LEU 133 CO 0.05 0.29 -0.02 -0.69 0.23 0.00 0.00 176.35 176.21 3d3i s VAL 134 N -1.04 0.28 -0.02 -1.59 1.01 -0.69 -1.37 120.40 116.99 3d3i s VAL 134 Ca 0.18 -0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.20 3d3i s VAL 134 Cb -0.11 -0.32 -0.02 0.00 0.00 0.00 0.00 36.38 35.93 3d3i s VAL 134 CO 0.09 0.14 -0.24 0.26 0.00 0.00 0.00 175.10 175.35 3d3i s TRP 135 N 0.67 2.18 0.17 5.22 0.51 0.30 -0.41 118.94 127.58 3d3i s TRP 135 Ca -0.07 -0.45 0.03 0.00 -2.12 0.00 0.00 56.10 53.48 3d3i s TRP 135 Cb -0.10 -1.41 -0.05 0.00 -0.81 0.00 0.00 33.47 31.10 3d3i s TRP 135 CO -0.01 -0.07 -0.03 0.16 -0.51 0.00 0.00 176.95 176.50 3d3i s ASP 136 N -0.49 1.47 0.03 2.95 -4.77 -0.56 0.15 116.67 115.45 3d3i s ASP 136 Ca 0.07 -1.13 -0.27 0.00 -3.30 0.00 0.00 52.55 47.92 3d3i s ASP 136 Cb -0.10 0.06 0.09 0.00 -1.09 0.00 0.00 42.92 41.89 3d3i s ASP 136 CO -0.00 -0.49 0.79 -0.83 0.70 0.00 0.00 175.17 175.34 3d3i s GLY 137 N -3.19 -0.50 -0.21 2.12 0.00 -0.81 -0.25 107.32 104.48 3d3i s GLY 137 Ca 0.22 0.97 -0.11 0.00 0.00 0.00 0.00 44.72 45.81 3d3i s GLY 137 CO 0.03 0.40 0.49 1.85 0.00 0.00 0.00 173.10 175.87 3d3i s GLU 138 N -2.97 0.47 0.49 2.90 2.12 -0.47 -1.08 118.70 120.17 3d3i s GLU 138 Ca 0.02 0.96 -0.21 0.00 0.36 0.00 0.00 54.97 56.10 3d3i s GLU 138 Cb -0.01 0.10 -0.07 0.00 0.26 0.00 0.00 34.13 34.40 3d3i s GLU 138 CO -0.08 -0.17 1.09 -0.51 -0.54 0.00 0.00 175.26 175.05 3d3i s LEU 139 N 1.67 3.86 0.77 2.70 1.43 0.44 -3.90 118.68 125.65 3d3i s LEU 139 Ca -0.09 2.07 -0.12 0.00 -1.03 0.00 0.00 54.13 54.96 3d3i s LEU 139 Cb -0.08 -4.49 0.06 0.00 0.03 0.00 0.00 46.19 41.71 3d3i s LEU 139 CO -0.15 -0.92 1.13 -0.76 0.23 0.00 0.00 176.35 175.88 3d3i s LEU 140 N -3.45 3.12 -0.00 1.79 1.43 -1.26 -4.92 118.68 115.38 3d3i s LEU 140 Ca 0.68 2.04 0.00 0.00 -1.03 0.00 0.00 54.13 55.82 3d3i s LEU 140 Cb -0.21 -4.55 -0.00 0.00 0.03 0.00 0.00 46.19 41.46 3d3i s LEU 140 CO 0.25 -2.23 -0.00 1.21 0.23 0.00 0.00 176.35 175.81 3d3i n GLU 141 N -3.30 0.01 -2.64 1.70 2.13 -1.26 -4.91 120.64 112.37 3d3i n GLU 141 Ca 0.11 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.53 3d3i n GLU 141 Cb 0.52 -1.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.18 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 -2.00 4.75 -0.10 5.31 1.02 -1.26 -0.90 119.74 126.56 3d3i s LYS 142 Ca -0.00 1.61 -0.09 0.00 0.02 0.00 0.00 55.97 57.51 3d3i s LYS 142 Cb 0.00 -3.26 -0.07 0.00 -0.52 0.00 0.00 37.83 33.98 3d3i s LYS 142 CO 0.00 0.35 0.27 1.25 -0.92 0.00 0.00 175.35 176.31 3d3i h LEU 143 N 4.24 -0.04 -7.87 3.17 5.85 -1.67 -3.39 115.31 115.60 3d3i h LEU 143 Ca -0.45 -0.24 -0.18 0.00 0.84 0.00 0.00 57.88 57.84 3d3i h LEU 143 Cb 1.21 0.01 -0.23 0.00 0.37 0.00 0.00 40.66 42.02 3d3i h LEU 143 CO 0.68 0.56 -0.67 -1.83 -0.34 0.00 0.00 178.44 176.84 3d3i s GLU 144 N -1.94 0.24 0.03 1.25 -1.05 -1.26 -1.07 118.70 114.89 3d3i s GLU 144 Ca -0.06 -0.38 -0.16 0.00 -0.15 0.00 0.00 54.97 54.22 3d3i s GLU 144 Cb -0.01 0.09 0.03 0.00 -0.44 0.00 0.00 34.13 33.80 3d3i s GLU 144 CO 0.20 -0.04 0.36 0.00 0.95 0.00 0.00 175.26 176.73 3d3i s ALA 145 N -0.98 -0.88 -0.12 -0.84 0.00 -0.46 -1.74 121.76 116.74 3d3i s ALA 145 Ca -0.11 0.24 -0.00 0.00 0.00 0.00 0.00 51.96 52.09 3d3i s ALA 145 Cb -0.07 0.28 0.03 0.00 0.00 0.00 0.00 23.12 23.36 3d3i s ALA 145 CO -0.00 -0.40 -0.09 0.21 0.00 0.00 0.00 175.76 175.47 3d3i s LYS 146 N -2.26 1.70 -1.40 0.00 2.20 0.67 -1.60 119.74 119.04 3d3i s LYS 146 Ca -0.07 -0.34 -0.06 0.00 -0.36 0.00 0.00 55.97 55.14 3d3i s LYS 146 Cb -0.02 -1.73 0.03 0.00 -1.51 0.00 0.00 37.83 34.61 3d3i s LYS 146 CO -0.01 -0.27 0.83 0.39 -0.36 0.00 0.00 175.35 175.93 3d3i n GLU 147 N 4.90 -5.29 -0.19 4.03 -0.58 0.89 -1.96 120.64 122.44 3d3i n GLU 147 Ca -0.13 0.62 0.00 0.00 -0.42 0.00 0.00 57.16 57.23 3d3i n GLU 147 Cb 0.50 -5.33 0.00 0.00 -0.57 0.00 0.00 31.44 26.04 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 -1.64 2.36 3.56 0.62 0.00 -1.26 -5.02 105.19 103.80 3d3i n GLY 148 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.09 3.69 0.35 1.61 -0.14 -0.83 -5.07 119.74 119.27 3d3i s LYS 149 Ca 0.00 -0.46 -0.29 0.00 -1.36 0.00 0.00 55.97 53.87 3d3i s LYS 149 Cb 0.00 -2.99 -0.11 0.00 -1.68 0.00 0.00 37.83 33.05 3d3i s LYS 149 CO 0.00 0.30 1.53 -0.35 -0.76 0.00 0.00 175.35 176.07 3d3i n PRO 150 N 3.39 2.70 0.12 -1.68 -0.04 -1.26 -0.24 135.00 137.98 3d3i n PRO 150 Ca -0.17 0.95 0.09 0.00 -0.04 0.00 0.00 63.50 64.33 3d3i n PRO 150 Cb 0.52 -2.70 0.03 0.00 -0.04 0.00 0.00 33.50 31.31 3d3i n PRO 150 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3d3i h LEU 151 N 3.56 0.00 -7.95 1.53 3.38 -1.67 -3.45 115.31 110.72 3d3i h LEU 151 Ca -0.50 0.00 0.16 0.00 0.09 0.00 0.00 57.88 57.63 3d3i h LEU 151 Cb 1.24 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 3d3i h LEU 151 CO 0.69 0.14 0.57 -0.94 0.09 0.00 0.00 178.44 178.99 3d3i s SER 152 N -5.74 -0.00 -0.14 -0.43 1.04 -1.26 -5.02 113.70 102.14 3d3i s SER 152 Ca 0.01 -0.69 0.17 0.00 0.48 0.00 0.00 55.95 55.93 3d3i s SER 152 Cb 0.08 0.51 0.73 0.00 0.10 0.00 0.00 66.02 67.44 3d3i s SER 152 CO 0.76 -1.02 1.64 -0.90 0.98 0.00 0.00 173.24 174.71 3d3i n ASP 153 N -1.21 4.92 -4.77 7.02 5.68 -1.26 -4.79 116.55 122.15 3d3i n ASP 153 Ca -0.03 -2.58 -0.39 0.00 -0.50 0.00 0.00 54.79 51.28 3d3i n ASP 153 Cb 0.59 -0.60 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 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 -2.10 3.82 0.27 0.11 1.02 -1.26 -4.94 119.74 116.66 3d3i s LYS 154 Ca 0.51 2.19 0.08 0.00 0.02 0.00 0.00 55.97 58.77 3d3i s LYS 154 Cb 0.35 -2.67 -0.04 0.00 -0.52 0.00 0.00 37.83 34.95 3d3i s LYS 154 CO 0.22 -0.63 0.17 0.95 -0.92 0.00 0.00 175.35 175.13 3d3i s THR 155 N -1.27 4.07 0.10 2.17 -4.23 -1.26 -2.01 115.64 113.21 3d3i s THR 155 Ca 0.59 -1.51 -0.22 0.00 -1.18 0.00 0.00 61.69 59.37 3d3i s THR 155 Cb -0.39 -3.25 -0.13 0.00 1.34 0.00 0.00 72.50 70.08 3d3i s THR 155 CO 0.49 -0.33 1.75 0.40 -0.54 0.00 0.00 174.62 176.39 3d3i h ILE 156 N 1.54 1.02 -0.28 2.99 1.08 -1.28 -0.72 117.51 121.86 3d3i h ILE 156 Ca -0.47 -0.04 -0.09 0.00 -0.39 0.00 0.00 64.86 63.87 3d3i h ILE 156 Cb 1.24 0.94 -0.02 0.00 -3.07 0.00 0.00 36.82 35.92 3d3i h ILE 156 CO 0.60 0.02 -0.18 0.00 -0.69 0.00 0.00 178.15 177.90 3d3i h ALA 157 N 1.02 1.15 -0.18 1.87 0.00 -1.82 -0.59 119.26 120.71 3d3i h ALA 157 Ca 0.02 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.46 3d3i h ALA 157 Cb -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3d3i h ALA 157 CO -0.00 0.53 -0.56 0.78 0.00 0.00 0.00 179.25 180.00 3d3i h GLY 158 N 0.97 0.61 1.51 0.00 0.00 -1.88 -2.78 103.07 101.51 3d3i h GLY 158 Ca 0.08 -0.72 -0.22 0.00 0.00 0.00 0.00 47.33 46.47 3d3i h GLY 158 CO 0.04 0.64 -0.87 -2.09 0.00 0.00 0.00 176.54 174.26 3d3i h GLU 159 N 0.43 0.45 -2.82 4.80 4.57 -0.93 -3.39 114.58 117.69 3d3i h GLU 159 Ca 0.01 -0.44 -0.61 0.00 -1.18 0.00 0.00 59.36 57.14 3d3i h GLU 159 Cb 1.11 0.11 -0.41 0.00 -0.16 0.00 0.00 28.75 29.40 3d3i h GLU 159 CO 0.11 1.09 -0.72 0.71 -1.18 0.00 0.00 179.01 179.01 3d3i s TYR 160 N -3.41 2.66 0.58 0.92 2.02 -0.25 -4.97 117.35 114.91 3d3i s TYR 160 Ca -0.06 -2.97 0.28 0.00 -0.37 0.00 0.00 57.07 53.94 3d3i s TYR 160 Cb 0.09 -2.05 1.56 0.00 -0.40 0.00 0.00 41.96 41.16 3d3i s TYR 160 CO 0.86 -0.65 2.04 -1.35 -1.57 0.00 0.00 175.55 174.89 3d3i h PRO 161 N 5.48 0.00 -0.00 -1.71 0.11 -1.69 -1.54 132.00 132.65 3d3i h PRO 161 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 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 0.59 0.00 -0.32 -0.25 -0.21 0.00 0.00 178.00 177.81 3d3i n ASP 162 N -3.92 0.61 -0.34 -2.05 8.00 -1.26 -4.00 116.55 113.60 3d3i n ASP 162 Ca 0.04 -0.42 -0.00 0.00 0.71 0.00 0.00 54.79 55.11 3d3i n ASP 162 Cb 0.44 0.10 0.13 0.00 -0.02 0.00 0.00 41.12 41.76 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 0.46 1.10 -6.94 1.24 3.20 -1.55 -3.34 116.97 111.15 3d3i h TYR 163 Ca 0.00 0.03 -0.47 0.00 3.14 0.00 0.00 58.73 61.43 3d3i h TYR 163 Cb 0.48 -0.36 -0.06 0.00 1.54 0.00 0.00 36.73 38.33 3d3i h TYR 163 CO 0.00 0.62 -0.76 1.04 -1.64 0.00 0.00 178.16 177.41 3d3i n GLN 164 N -4.53 -0.57 -1.93 1.82 6.02 -1.26 0.62 117.38 117.56 3d3i n GLN 164 Ca 0.12 -0.04 -0.41 0.00 -0.01 0.00 0.00 57.00 56.66 3d3i n GLN 164 Cb 0.11 -1.97 -0.01 0.00 1.02 0.00 0.00 30.24 29.40 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 -6.74 4.21 -0.06 -1.09 0.52 -1.26 -4.32 118.95 110.21 3d3i s ARG 165 Ca 0.26 2.43 -0.09 0.00 -0.52 0.00 0.00 55.73 57.82 3d3i s ARG 165 Cb -0.15 -3.01 0.02 0.00 0.52 0.00 0.00 34.95 32.33 3d3i s ARG 165 CO 0.75 -0.40 0.22 0.21 0.02 0.00 0.00 175.30 176.10 3d3i s LYS 166 N -1.96 0.35 -0.17 3.54 2.20 -0.89 -4.98 119.74 117.84 3d3i s LYS 166 Ca 0.51 0.13 -0.04 0.00 -0.36 0.00 0.00 55.97 56.21 3d3i s LYS 166 Cb -0.44 0.16 -0.03 0.00 -1.51 0.00 0.00 37.83 36.02 3d3i s LYS 166 CO 0.59 -0.06 -0.03 0.42 -0.36 0.00 0.00 175.35 175.91 3d3i s ILE 167 N -0.31 3.94 0.03 5.43 1.09 -1.26 -0.64 121.20 129.47 3d3i s ILE 167 Ca -0.04 -0.34 0.05 0.00 -1.10 0.00 0.00 60.65 59.22 3d3i s ILE 167 Cb -0.03 -2.74 -0.02 0.00 -1.06 0.00 0.00 42.46 38.61 3d3i s ILE 167 CO 0.01 0.48 -0.15 -0.44 -0.10 0.00 0.00 174.94 174.74 3d3i s SER 168 N 0.49 1.77 0.53 3.58 0.01 -0.16 -4.98 113.70 114.93 3d3i s SER 168 Ca -0.03 -0.41 -0.17 0.00 1.31 0.00 0.00 55.95 56.65 3d3i s SER 168 Cb -0.14 -0.14 -0.07 0.00 0.21 0.00 0.00 66.02 65.88 3d3i s SER 168 CO 0.03 0.08 1.01 0.00 0.41 0.00 0.00 173.24 174.77 3d3i s ALA 169 N -0.71 2.93 0.42 1.44 0.00 -1.26 -1.16 121.76 123.41 3d3i s ALA 169 Ca 0.03 0.33 0.05 0.00 0.00 0.00 0.00 51.96 52.37 3d3i s ALA 169 Cb -0.07 -3.18 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 3d3i s ALA 169 CO 0.01 -0.40 0.17 0.95 0.00 0.00 0.00 175.76 176.49 3d3i s THR 170 N -2.44 0.43 0.02 0.00 -4.23 -0.61 -4.85 115.64 103.96 3d3i s THR 170 Ca 0.62 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 59.45 3d3i s THR 170 Cb -0.13 -2.29 0.37 0.00 1.34 0.00 0.00 72.50 71.78 3d3i s THR 170 CO 0.30 0.00 1.96 0.08 -0.54 0.00 0.00 174.62 176.41 3d3i h ARG 171 N 1.76 0.00 -0.03 3.99 0.11 -1.98 -3.29 114.38 114.94 3d3i h ARG 171 Ca -0.32 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.57 3d3i h ARG 171 Cb 1.27 0.00 -0.38 0.00 1.11 0.00 0.00 29.97 31.97 3d3i h ARG 171 CO 0.51 0.00 -1.02 -0.40 0.10 0.00 0.00 179.97 179.16 3d3i n ASP 172 N -2.91 0.98 0.00 0.08 5.75 -1.26 -4.97 116.55 114.23 3d3i n ASP 172 Ca 0.01 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.78 3d3i n ASP 172 Cb 0.27 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 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 0.41 -0.21 3.83 6.12 0.00 -1.24 -0.88 105.19 113.22 3d3i n GLY 173 Ca 0.05 -0.29 -0.06 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.23 0.04 0.99 2.34 -0.92 -1.58 118.68 119.31 3d3i s LEU 174 Ca 0.00 -0.56 -0.12 0.00 0.06 0.00 0.00 54.13 53.51 3d3i s LEU 174 Cb 0.00 2.57 0.01 0.00 -0.56 0.00 0.00 46.19 48.21 3d3i s LEU 174 CO 0.00 -1.23 0.26 -1.59 -1.06 0.00 0.00 176.35 172.73 3d3i s LYS 175 N -3.71 0.75 -0.13 1.48 -2.85 -0.31 -1.07 119.74 113.89 3d3i s LYS 175 Ca 0.11 -0.52 -0.01 0.00 -1.00 0.00 0.00 55.97 54.56 3d3i s LYS 175 Cb -0.05 0.32 -0.02 0.00 -2.06 0.00 0.00 37.83 36.02 3d3i s LYS 175 CO 0.06 -0.23 -0.10 0.08 0.10 0.00 0.00 175.35 175.26 3d3i s VAL 176 N -2.41 3.34 0.09 1.79 1.01 0.07 -0.99 120.40 123.30 3d3i s VAL 176 Ca -0.06 -0.57 0.07 0.00 0.00 0.00 0.00 61.98 61.42 3d3i s VAL 176 Cb -0.02 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 3d3i s VAL 176 CO -0.03 0.52 -0.09 0.42 0.00 0.00 0.00 175.10 175.93 3d3i s THR 177 N 0.21 3.44 -0.00 3.92 -4.23 0.18 -1.32 115.64 117.83 3d3i s THR 177 Ca -0.06 -1.20 0.05 0.00 -1.18 0.00 0.00 61.69 59.30 3d3i s THR 177 Cb -0.15 -2.60 -0.01 0.00 1.34 0.00 0.00 72.50 71.08 3d3i s THR 177 CO 0.04 0.14 -0.16 -0.36 -0.54 0.00 0.00 174.62 173.74 3d3i s PHE 178 N -1.20 1.46 0.86 3.99 0.08 -1.13 -2.09 117.98 119.96 3d3i s PHE 178 Ca 0.21 -0.29 -0.13 0.00 0.12 0.00 0.00 56.93 56.84 3d3i s PHE 178 Cb -0.11 -0.93 0.12 0.00 -0.57 0.00 0.00 43.02 41.54 3d3i s PHE 178 CO 0.13 -0.01 1.22 0.20 -0.10 0.00 0.00 175.22 176.66 3d3i s GLY 179 N -0.52 1.67 -0.23 4.36 0.00 0.20 -4.08 107.32 108.73 3d3i s GLY 179 Ca 0.06 -0.90 -0.29 0.00 0.00 0.00 0.00 44.72 43.59 3d3i s GLY 179 CO -0.00 -0.31 1.11 1.25 0.00 0.00 0.00 173.10 175.15 3d3i s LYS 180 N -5.66 4.22 -0.12 2.90 2.20 -1.25 -4.10 119.74 117.91 3d3i s LYS 180 Ca 0.66 1.39 -0.00 0.00 -0.36 0.00 0.00 55.97 57.67 3d3i s LYS 180 Cb -0.08 -3.69 0.02 0.00 -1.51 0.00 0.00 37.83 32.57 3d3i s LYS 180 CO 0.50 -0.70 -0.10 0.08 -0.36 0.00 0.00 175.35 174.77 3d3i s VAL 181 N 3.38 1.22 -0.74 4.02 1.01 -1.22 -4.68 120.40 123.39 3d3i s VAL 181 Ca 0.47 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 62.06 3d3i s VAL 181 Cb -0.16 -1.20 0.34 0.00 0.00 0.00 0.00 36.38 35.36 3d3i s VAL 181 CO 0.10 0.40 1.38 0.54 0.00 0.00 0.00 175.10 177.51 3d3i n ARG 182 N 4.86 3.97 -2.83 2.72 5.12 -1.26 -0.73 116.66 128.51 3d3i n ARG 182 Ca -0.14 -4.62 -0.43 0.00 -1.93 0.00 0.00 57.85 50.73 3d3i n ARG 182 Cb 0.50 -2.32 -0.02 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 -3.84 3.28 0.22 7.54 0.00 0.13 -4.90 121.76 124.20 3d3i s ALA 183 Ca 0.46 -2.72 0.08 0.00 0.00 0.00 0.00 51.96 49.77 3d3i s ALA 183 Cb 0.28 -4.20 0.70 0.00 0.00 0.00 0.00 23.12 19.90 3d3i s ALA 183 CO -0.17 -3.12 1.03 2.41 0.00 0.00 0.00 175.76 175.91 3d3i n THR 184 N 5.77 -0.28 -0.26 0.00 -1.04 -1.26 -0.69 114.28 116.52 3d3i n THR 184 Ca 0.29 1.39 0.06 0.00 -2.04 0.00 0.00 64.05 63.75 3d3i n THR 184 Cb 0.49 -2.14 0.18 0.00 -1.82 0.00 0.00 70.33 67.04 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 -4.67 0.57 0.00 -1.42 7.02 -1.26 -4.67 117.44 113.01 3d3i n TRP 185 Ca 0.20 -0.53 0.00 0.00 -1.02 0.00 0.00 57.50 56.16 3d3i n TRP 185 Cb 0.69 -0.05 0.00 0.00 -2.42 0.00 0.00 31.31 29.53 3d3i n TRP 185 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 3d3i n ASP 186 N 0.57 0.02 -3.68 -0.99 8.00 0.13 -5.09 116.55 115.52 3d3i n ASP 186 Ca 0.14 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.53 3d3i n ASP 186 Cb 0.49 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.48 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 -4.90 -0.27 -0.12 0.64 2.96 -0.62 -4.82 118.68 111.54 3d3i s LEU 187 Ca 0.00 0.82 -0.00 0.00 -0.22 0.00 0.00 54.13 54.73 3d3i s LEU 187 Cb 0.00 1.13 0.02 0.00 0.50 0.00 0.00 46.19 47.85 3d3i s LEU 187 CO 0.00 -0.21 -0.09 -0.76 -1.32 0.00 0.00 176.35 173.96 3d3i s LEU 188 N 2.03 1.32 0.06 -0.68 1.43 -1.24 -0.69 118.68 120.92 3d3i s LEU 188 Ca -0.04 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 3d3i s LEU 188 Cb -0.11 -0.94 -0.03 0.00 0.03 0.00 0.00 46.19 45.14 3d3i s LEU 188 CO -0.11 -0.10 -0.06 0.42 0.23 0.00 0.00 176.35 176.73 3d3i s THR 189 N 1.65 0.48 -0.36 5.49 -4.23 0.09 -3.98 115.64 114.77 3d3i s THR 189 Ca 0.05 -1.53 0.23 0.00 -1.18 0.00 0.00 61.69 59.26 3d3i s THR 189 Cb -0.13 -1.15 0.10 0.00 1.34 0.00 0.00 72.50 72.66 3d3i s THR 189 CO -0.09 -0.70 1.25 0.77 -0.54 0.00 0.00 174.62 175.30 3d3i h SER 190 N 3.67 0.00 0.00 3.99 4.64 -1.85 -3.22 113.55 120.78 3d3i h SER 190 Ca -0.35 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 3d3i h SER 190 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3d3i h SER 190 CO 0.55 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 177.13 3d3i n GLY 191 N 1.19 0.60 0.00 -0.77 0.00 -1.26 -4.65 105.19 100.30 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 1.13 -2.50 1.61 -0.58 -1.26 -4.61 120.64 112.43 3d3i n GLU 192 Ca 0.00 -0.89 -0.33 0.00 -0.42 0.00 0.00 57.16 55.51 3d3i n GLU 192 Cb 0.00 -0.83 -0.03 0.00 -0.57 0.00 0.00 31.44 30.00 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 -0.45 6.43 0.09 1.62 1.04 -1.25 -4.13 113.70 117.05 3d3i s SER 193 Ca 0.00 1.80 -0.11 0.00 0.48 0.00 0.00 55.95 58.12 3d3i s SER 193 Cb 0.00 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.59 3d3i s SER 193 CO 0.00 -0.72 0.25 -1.61 0.98 0.00 0.00 173.24 172.14 3d3i s GLU 194 N -3.49 0.89 -0.24 4.02 2.02 0.20 -2.82 118.70 119.29 3d3i s GLU 194 Ca 0.64 -0.85 0.02 0.00 0.02 0.00 0.00 54.97 54.80 3d3i s GLU 194 Cb -0.14 0.37 0.06 0.00 0.10 0.00 0.00 34.13 34.52 3d3i s GLU 194 CO 0.23 -0.30 -0.09 -0.47 0.02 0.00 0.00 175.26 174.65 3d3i s TYR 195 N -3.70 2.72 0.00 1.61 5.04 -0.43 -0.91 117.35 121.68 3d3i s TYR 195 Ca 0.03 -1.93 0.00 0.00 -2.44 0.00 0.00 57.07 52.74 3d3i s TYR 195 Cb 0.03 -1.72 -0.04 0.00 0.35 0.00 0.00 41.96 40.58 3d3i s TYR 195 CO -0.10 -0.81 0.05 -0.65 -1.34 0.00 0.00 175.55 172.70 3d3i s GLN 196 N 1.29 2.95 -0.18 4.97 -0.21 0.67 -0.75 119.66 128.39 3d3i s GLN 196 Ca -0.06 -0.54 0.01 0.00 0.02 0.00 0.00 55.36 54.78 3d3i s GLN 196 Cb -0.19 -2.78 0.04 0.00 1.00 0.00 0.00 33.01 31.08 3d3i s GLN 196 CO -0.06 0.63 -0.10 0.08 -2.12 0.00 0.00 175.29 173.72 3d3i s VAL 197 N -1.17 1.55 -0.05 1.09 1.01 -0.23 -1.08 120.40 121.51 3d3i s VAL 197 Ca 0.22 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.37 3d3i s VAL 197 Cb -0.12 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.64 3d3i s VAL 197 CO 0.13 0.22 -0.21 -1.00 0.00 0.00 0.00 175.10 174.24 3d3i s HIS 198 N 1.45 2.53 0.18 5.22 3.76 -0.82 -2.17 115.29 125.44 3d3i s HIS 198 Ca 0.00 -0.49 0.08 0.00 -0.15 0.00 0.00 55.06 54.50 3d3i s HIS 198 Cb -0.15 -1.61 -0.04 0.00 1.11 0.00 0.00 32.58 31.88 3d3i s HIS 198 CO -0.09 -0.06 -0.16 0.15 -0.85 0.00 0.00 174.74 173.73 3d3i s LYS 199 N -0.37 1.29 0.00 1.40 1.02 -0.06 -0.71 119.74 122.31 3d3i s LYS 199 Ca 0.03 -1.48 0.30 0.00 0.02 0.00 0.00 55.97 54.84 3d3i s LYS 199 Cb -0.12 -1.23 1.51 0.00 -0.52 0.00 0.00 37.83 37.46 3d3i s LYS 199 CO 0.02 0.23 2.01 -1.13 -0.92 0.00 0.00 175.35 175.56 3d3i n SER 200 N 0.01 0.46 -4.13 2.83 3.41 -0.37 -4.87 113.62 110.96 3d3i n SER 200 Ca -0.11 -0.93 -0.11 0.00 -0.26 0.00 0.00 58.87 57.46 3d3i n SER 200 Cb 0.58 -0.04 -0.10 0.00 -0.26 0.00 0.00 64.21 64.39 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 -2.17 2.44 0.19 1.04 2.34 -1.26 -4.94 118.68 116.31 3d3i s LEU 201 Ca 0.39 -0.88 -0.31 0.00 0.06 0.00 0.00 54.13 53.40 3d3i s LEU 201 Cb 0.21 -0.05 -0.09 0.00 -0.56 0.00 0.00 46.19 45.70 3d3i s LEU 201 CO 0.40 -0.42 1.43 -2.84 -1.06 0.00 0.00 176.35 173.87 3d3i s PRO 202 N -3.22 4.29 0.16 1.48 0.02 -1.26 -4.96 135.00 131.50 3d3i s PRO 202 Ca 0.05 2.21 0.06 0.00 0.02 0.00 0.00 61.00 63.35 3d3i s PRO 202 Cb 0.01 -3.17 -0.04 0.00 0.02 0.00 0.00 34.50 31.32 3d3i s PRO 202 CO -0.04 -0.44 -0.14 0.14 -0.33 0.00 0.00 177.00 176.19 3d3i s VAL 203 N 0.58 1.47 -0.26 3.83 -7.23 -1.26 -4.71 120.40 112.81 3d3i s VAL 203 Ca 0.63 -1.98 -0.07 0.00 -1.81 0.00 0.00 61.98 58.75 3d3i s VAL 203 Cb -0.40 -1.80 -0.01 0.00 0.56 0.00 0.00 36.38 34.72 3d3i s VAL 203 CO 0.36 -0.55 0.07 -1.10 -0.31 0.00 0.00 175.10 173.57 3d3i s GLN 204 N -3.26 3.45 -0.08 4.82 -1.52 0.13 -4.89 119.66 118.31 3d3i s GLN 204 Ca 0.16 -0.61 0.03 0.00 -1.95 0.00 0.00 55.36 52.99 3d3i s GLN 204 Cb -0.02 -3.33 -0.01 0.00 -0.22 0.00 0.00 33.01 29.43 3d3i s GLN 204 CO 0.04 -0.27 -0.19 0.99 -0.25 0.00 0.00 175.29 175.60 3d3i s THR 205 N 1.57 2.53 -0.18 -0.19 2.01 -1.26 0.77 115.64 120.89 3d3i s THR 205 Ca 0.05 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 61.18 3d3i s THR 205 Cb -0.16 -1.99 0.02 0.00 0.01 0.00 0.00 72.50 70.38 3d3i s THR 205 CO 0.03 0.56 -0.18 -0.70 -0.69 0.00 0.00 174.62 173.63 3d3i s GLU 206 N -0.02 3.04 -0.16 4.92 2.12 0.51 -5.00 118.70 124.10 3d3i s GLU 206 Ca -0.06 -0.81 -0.05 0.00 0.36 0.00 0.00 54.97 54.41 3d3i s GLU 206 Cb -0.15 -2.60 -0.03 0.00 0.26 0.00 0.00 34.13 31.61 3d3i s GLU 206 CO 0.05 -0.18 0.02 0.42 -0.54 0.00 0.00 175.26 175.03 3d3i s ILE 207 N 1.24 4.41 -0.60 -3.70 -1.09 -1.26 -1.30 121.20 118.90 3d3i s ILE 207 Ca 0.03 -0.17 0.05 0.00 -2.23 0.00 0.00 60.65 58.33 3d3i s ILE 207 Cb -0.13 -2.96 0.17 0.00 -1.58 0.00 0.00 42.46 37.96 3d3i s ILE 207 CO -0.10 0.49 0.44 0.20 -1.23 0.00 0.00 174.94 174.73 3d3i s ASN 208 N 0.23 3.70 1.63 3.58 -0.87 0.03 -5.01 114.94 118.23 3d3i s ASN 208 Ca 0.01 -3.57 0.00 0.00 -1.57 0.00 0.00 52.86 47.73 3d3i s ASN 208 Cb -0.13 -1.24 0.00 0.00 -0.02 0.00 0.00 41.25 39.87 3d3i s ASN 208 CO 0.01 -0.12 0.00 0.61 -2.57 0.00 0.00 177.10 175.04 3d3i n GLY 209 N 2.30 3.45 1.08 0.66 0.00 -1.26 -2.47 105.19 108.94 3d3i n GLY 209 Ca 0.23 -0.11 0.04 0.00 0.00 0.00 0.00 46.02 46.18 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 8.56 3.06 -4.23 1.61 3.02 -1.26 -4.54 115.26 121.49 3d3i n ASN 210 Ca 0.00 -2.34 -0.14 0.00 -0.03 0.00 0.00 54.58 52.06 3d3i n ASN 210 Cb 0.00 -0.50 -0.10 0.00 -0.61 0.00 0.00 39.78 38.57 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 -1.79 1.00 0.11 3.52 1.70 -1.03 -0.42 118.95 122.03 3d3i s ARG 211 Ca 0.28 -1.37 -0.07 0.00 -0.47 0.00 0.00 55.73 54.10 3d3i s ARG 211 Cb 0.19 -0.59 -0.01 0.00 -0.57 0.00 0.00 34.95 33.97 3d3i s ARG 211 CO 0.11 0.08 0.17 -0.59 -1.08 0.00 0.00 175.30 173.98 3d3i s PHE 212 N -3.09 0.37 -0.05 5.89 -0.12 -0.24 -0.79 117.98 119.95 3d3i s PHE 212 Ca 0.14 -0.80 -0.02 0.00 -0.05 0.00 0.00 56.93 56.20 3d3i s PHE 212 Cb 0.01 -0.17 0.04 0.00 -0.63 0.00 0.00 43.02 42.27 3d3i s PHE 212 CO 0.00 -0.57 0.10 0.99 -0.05 0.00 0.00 175.22 175.70 3d3i s THR 213 N -3.93 -0.09 0.04 -4.49 2.01 -0.42 -1.93 115.64 106.84 3d3i s THR 213 Ca 0.11 0.24 0.08 0.00 0.31 0.00 0.00 61.69 62.44 3d3i s THR 213 Cb 0.05 -0.19 -0.03 0.00 0.01 0.00 0.00 72.50 72.35 3d3i s THR 213 CO -0.06 0.10 -0.24 -0.44 -0.69 0.00 0.00 174.62 173.29 3d3i s SER 214 N 1.40 2.84 0.14 3.53 0.01 0.12 -0.36 113.70 121.37 3d3i s SER 214 Ca -0.06 -0.56 0.07 0.00 1.31 0.00 0.00 55.95 56.71 3d3i s SER 214 Cb -0.12 -0.25 -0.04 0.00 0.21 0.00 0.00 66.02 65.82 3d3i s SER 214 CO -0.05 0.21 -0.15 -0.54 0.41 0.00 0.00 173.24 173.13 3d3i s LYS 215 N -1.20 1.10 -0.06 12.44 1.02 0.23 -0.54 119.74 132.72 3d3i s LYS 215 Ca 0.10 -1.30 -0.31 0.00 0.02 0.00 0.00 55.97 54.48 3d3i s LYS 215 Cb -0.09 -1.01 0.08 0.00 -0.52 0.00 0.00 37.83 36.28 3d3i s LYS 215 CO 0.02 0.20 0.72 0.00 -0.92 0.00 0.00 175.35 175.36 3d3i s ALA 216 N -2.17 -1.79 -0.08 5.17 0.00 -0.47 0.22 121.76 122.64 3d3i s ALA 216 Ca 0.11 1.35 0.05 0.00 0.00 0.00 0.00 51.96 53.47 3d3i s ALA 216 Cb -0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 3d3i s ALA 216 CO 0.04 -0.36 -0.24 -1.58 0.00 0.00 0.00 175.76 173.62 3d3i s HIS 217 N -1.19 2.52 0.22 0.00 2.46 -1.26 0.39 115.29 118.43 3d3i s HIS 217 Ca -0.10 -0.84 0.11 0.00 0.47 0.00 0.00 55.06 54.71 3d3i s HIS 217 Cb -0.00 -1.66 -0.05 0.00 -0.13 0.00 0.00 32.58 30.74 3d3i s HIS 217 CO 0.09 -0.29 -0.21 0.96 -2.47 0.00 0.00 174.74 172.82 3d3i s ILE 218 N 0.06 2.31 -0.52 0.89 -5.25 -0.39 -5.00 121.20 113.30 3d3i s ILE 218 Ca -0.10 -2.18 0.24 0.00 -0.99 0.00 0.00 60.65 57.62 3d3i s ILE 218 Cb -0.16 -2.16 0.05 0.00 2.95 0.00 0.00 42.46 43.14 3d3i s ILE 218 CO 0.06 -0.27 1.25 0.78 -1.79 0.00 0.00 174.94 174.97 3d3i h ASN 219 N 2.81 0.00 0.00 4.36 2.35 -1.91 -1.87 115.58 121.32 3d3i h ASN 219 Ca -0.43 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.17 3d3i h ASN 219 Cb 1.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.60 3d3i h ASN 219 CO 0.54 0.07 0.00 0.61 -1.65 0.00 0.00 177.43 177.00 3d3i n GLY 220 N 1.28 -0.72 3.55 2.83 0.00 -1.26 -3.16 105.19 107.71 3d3i n GLY 220 Ca 0.02 -0.99 -0.56 0.00 0.00 0.00 0.00 46.02 44.49 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 0.51 0.81 -3.54 1.61 7.64 -0.81 -4.77 113.62 115.07 3d3i n SER 221 Ca 0.00 1.14 -0.08 0.00 1.01 0.00 0.00 58.87 60.94 3d3i n SER 221 Cb 0.00 -1.04 -0.02 0.00 -1.01 0.00 0.00 64.21 62.14 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 0.43 0.00 -0.16 0.44 -1.32 -0.34 -4.94 115.64 109.76 3d3i s THR 222 Ca 0.89 -0.12 0.01 0.00 -1.21 0.00 0.00 61.69 61.26 3d3i s THR 222 Cb -1.14 -1.17 0.02 0.00 -1.51 0.00 0.00 72.50 68.70 3d3i s THR 222 CO 0.54 0.00 -0.19 -0.89 -2.21 0.00 0.00 174.62 171.86 3d3i s THR 223 N -3.24 1.95 0.25 5.08 2.01 -1.26 -0.64 115.64 119.79 3d3i s THR 223 Ca 0.06 -0.89 0.08 0.00 0.31 0.00 0.00 61.69 61.25 3d3i s THR 223 Cb -0.01 -1.76 -0.04 0.00 0.01 0.00 0.00 72.50 70.71 3d3i s THR 223 CO -0.08 0.52 0.14 -1.48 -0.69 0.00 0.00 174.62 173.04 3d3i s LEU 224 N 1.15 3.66 -0.01 4.42 0.05 -0.23 -4.94 118.68 122.78 3d3i s LEU 224 Ca 0.00 -0.34 0.05 0.00 0.05 0.00 0.00 54.13 53.89 3d3i s LEU 224 Cb -0.14 -2.20 -0.01 0.00 -2.05 0.00 0.00 46.19 41.79 3d3i s LEU 224 CO -0.08 -0.02 -0.16 -0.31 -0.55 0.00 0.00 176.35 175.22 3d3i s TYR 225 N -2.15 1.46 -0.01 3.48 2.02 -1.26 -0.96 117.35 119.92 3d3i s TYR 225 Ca 0.32 -0.28 0.01 0.00 -0.37 0.00 0.00 57.07 56.75 3d3i s TYR 225 Cb -0.08 -0.94 0.01 0.00 -0.40 0.00 0.00 41.96 40.55 3d3i s TYR 225 CO 0.24 -0.03 -0.04 0.99 -1.57 0.00 0.00 175.55 175.14 3d3i s THR 226 N -0.36 0.33 0.01 -0.71 2.01 -0.58 -1.24 115.64 115.11 3d3i s THR 226 Ca 0.06 -0.13 0.04 0.00 0.31 0.00 0.00 61.69 61.97 3d3i s THR 226 Cb -0.06 -0.32 -0.03 0.00 0.01 0.00 0.00 72.50 72.09 3d3i s THR 226 CO -0.01 0.12 -0.08 0.42 -0.69 0.00 0.00 174.62 174.39 3d3i s THR 227 N 0.23 3.56 -0.12 -0.82 -4.23 0.11 -0.48 115.64 113.89 3d3i s THR 227 Ca -0.02 -0.84 0.02 0.00 -1.18 0.00 0.00 61.69 59.67 3d3i s THR 227 Cb -0.06 -2.55 0.01 0.00 1.34 0.00 0.00 72.50 71.24 3d3i s THR 227 CO -0.00 0.37 -0.18 -0.31 -0.54 0.00 0.00 174.62 173.95 3d3i s TYR 228 N -1.01 2.28 -0.04 3.99 2.02 -0.50 -1.94 117.35 122.15 3d3i s TYR 228 Ca 0.17 -1.10 0.01 0.00 -0.37 0.00 0.00 57.07 55.79 3d3i s TYR 228 Cb -0.11 -1.59 0.02 0.00 -0.40 0.00 0.00 41.96 39.88 3d3i s TYR 228 CO 0.08 -0.52 -0.04 -1.12 -1.57 0.00 0.00 175.55 172.38 3d3i s SER 229 N 0.87 0.82 -0.32 2.29 0.01 -0.24 -0.87 113.70 116.25 3d3i s SER 229 Ca -0.08 -0.11 -0.07 0.00 1.31 0.00 0.00 55.95 57.00 3d3i s SER 229 Cb -0.15 -0.40 0.02 0.00 0.21 0.00 0.00 66.02 65.70 3d3i s SER 229 CO -0.01 -0.06 0.11 -2.28 0.41 0.00 0.00 173.24 171.41 3d3i s HIS 230 N 0.90 3.20 -0.16 2.43 2.46 -1.07 -0.24 115.29 122.81 3d3i s HIS 230 Ca -0.11 -1.14 -0.01 0.00 0.47 0.00 0.00 55.06 54.26 3d3i s HIS 230 Cb -0.14 -2.29 -0.01 0.00 -0.13 0.00 0.00 32.58 30.01 3d3i s HIS 230 CO -0.00 -0.64 -0.11 -0.51 -2.47 0.00 0.00 174.74 171.01 3d3i s LEU 231 N 1.47 2.76 0.08 8.88 1.43 -0.09 -4.77 118.68 128.45 3d3i s LEU 231 Ca 0.01 -0.35 0.24 0.00 -1.03 0.00 0.00 54.13 52.99 3d3i s LEU 231 Cb -0.18 -1.65 0.23 0.00 0.03 0.00 0.00 46.19 44.62 3d3i s LEU 231 CO 0.03 0.11 1.20 0.18 0.23 0.00 0.00 176.35 178.10 3d3i n LEU 232 N 3.93 0.65 -4.14 1.79 4.32 -1.26 -0.63 117.00 121.66 3d3i n LEU 232 Ca -0.18 0.11 -0.09 0.00 -0.02 0.00 0.00 56.01 55.83 3d3i n LEU 232 Cb 0.52 -0.15 -0.10 0.00 -1.62 0.00 0.00 43.42 42.07 3d3i n LEU 232 CO 0.30 -0.01 -0.30 0.42 -1.22 0.00 0.00 177.39 176.59 3d3i s THR 233 N -3.17 0.12 0.30 -5.08 -4.23 -1.26 -3.93 115.64 98.38 3d3i s THR 233 Ca 0.05 -1.89 -0.01 0.00 -1.18 0.00 0.00 61.69 58.66 3d3i s THR 233 Cb 0.14 -1.98 0.22 0.00 1.34 0.00 0.00 72.50 72.21 3d3i s THR 233 CO 0.75 -0.52 1.92 0.00 -0.54 0.00 0.00 174.62 176.23 3d3i h ALA 234 N 2.89 1.36 -0.62 3.99 0.00 -1.94 -1.08 119.26 123.87 3d3i h ALA 234 Ca -0.35 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 3d3i h ALA 234 Cb 1.19 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 3d3i h ALA 234 CO 0.60 0.51 0.18 1.96 0.00 0.00 0.00 179.25 182.50 3d3i h GLN 235 N 0.92 0.97 -0.67 0.00 7.50 -1.96 -1.59 115.11 120.28 3d3i h GLN 235 Ca 0.23 -0.21 -0.05 0.00 0.50 0.00 0.00 58.65 59.12 3d3i h GLN 235 Cb 0.06 -0.14 -0.03 0.00 0.05 0.00 0.00 27.48 27.42 3d3i h GLN 235 CO -0.03 0.87 0.22 0.93 -1.50 0.00 0.00 178.83 179.31 3d3i h GLU 236 N 0.89 1.03 -0.08 1.46 5.08 -1.79 -1.22 114.58 119.95 3d3i h GLU 236 Ca 0.20 -0.21 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3d3i h GLU 236 Cb 0.31 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3d3i h GLU 236 CO -0.00 0.89 0.01 0.28 -1.00 0.00 0.00 179.01 179.18 3d3i h VAL 237 N 0.96 0.96 0.07 3.13 2.07 -0.88 -1.55 116.25 121.02 3d3i h VAL 237 Ca 0.22 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.72 3d3i h VAL 237 Cb 0.28 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3d3i h VAL 237 CO -0.01 0.01 -0.04 0.28 0.02 0.00 0.00 177.57 177.83 3d3i h SER 238 N 0.05 -0.09 -0.41 0.57 0.02 -1.11 -3.07 113.55 109.51 3d3i h SER 238 Ca 0.04 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 3d3i h SER 238 Cb 0.03 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 3d3i h SER 238 CO -0.05 -0.06 0.24 0.50 -1.14 0.00 0.00 176.83 176.32 3d3i h LYS 239 N -0.10 0.58 0.00 3.45 3.64 -1.11 -3.03 116.57 120.01 3d3i h LYS 239 Ca -0.01 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.24 3d3i h LYS 239 Cb 0.08 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3d3i h LYS 239 CO 0.01 0.43 -0.37 1.49 -2.27 0.00 0.00 179.45 178.74 3d3i h GLU 240 N 0.59 0.00 -0.78 1.90 4.57 -1.19 -3.36 114.58 116.31 3d3i h GLU 240 Ca 0.16 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 3d3i h GLU 240 Cb 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 3d3i h GLU 240 CO -0.03 0.37 0.00 1.04 -1.18 0.00 0.00 179.01 179.22 3d3i n GLN 241 N -3.47 0.00 0.00 1.92 1.13 -1.15 -0.76 117.38 115.05 3d3i n GLN 241 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3d3i n GLN 241 Cb 0.53 -0.97 0.00 0.00 0.11 0.00 0.00 30.24 29.91 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 0.55 0.00 -0.25 -1.09 1.13 -1.26 -1.49 117.38 114.97 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 0.08 0.00 0.11 0.00 0.00 30.24 30.43 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 1.10 -0.91 5.09 1.08 -1.31 0.92 117.51 123.47 3d3i h ILE 244 Ca 0.00 -0.30 -0.01 0.00 -0.39 0.00 0.00 64.86 64.16 3d3i h ILE 244 Cb 0.00 0.14 -0.04 0.00 -3.07 0.00 0.00 36.82 33.85 3d3i h ILE 244 CO 0.00 0.16 0.52 0.03 -0.69 0.00 0.00 178.15 178.17 3d3i h ARG 245 N 0.88 1.26 -0.42 2.37 3.08 -1.52 -1.55 114.38 118.48 3d3i h ARG 245 Ca 0.29 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 60.16 3d3i h ARG 245 Cb 0.02 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 29.80 3d3i h ARG 245 CO -0.11 0.91 0.10 -0.44 -1.07 0.00 0.00 179.97 179.36 3d3i h ASP 246 N 1.27 0.64 -0.40 7.04 3.32 -1.55 -2.19 116.42 124.55 3d3i h ASP 246 Ca 0.32 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 3d3i h ASP 246 Cb -0.01 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 3d3i h ASP 246 CO -0.06 0.71 0.25 0.40 -1.72 0.00 0.00 179.24 178.82 3d3i h ILE 247 N 0.55 1.13 0.00 0.35 2.04 -0.47 -1.30 117.51 119.80 3d3i h ILE 247 Ca 0.13 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 3d3i h ILE 247 Cb 0.31 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 3d3i h ILE 247 CO 0.00 0.13 -0.14 -0.07 0.00 0.00 0.00 178.15 178.07 3d3i h LEU 248 N 0.53 0.00 0.03 1.44 3.38 -1.24 -0.58 115.31 118.88 3d3i h LEU 248 Ca 0.15 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.86 3d3i h LEU 248 Cb -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3d3i h LEU 248 CO -0.03 0.14 -1.29 0.00 0.09 0.00 0.00 178.44 177.35 3d3i h ALA 249 N 1.86 0.42 -1.89 1.53 0.00 -0.92 -3.39 119.26 116.87 3d3i h ALA 249 Ca -0.00 -1.08 -0.47 0.00 0.00 0.00 0.00 54.91 53.35 3d3i h ALA 249 Cb 0.63 0.10 -0.40 0.00 0.00 0.00 0.00 17.79 18.12 3d3i h ALA 249 CO 0.02 1.29 -1.18 0.54 0.00 0.00 0.00 179.25 179.92 3d3i n ARG 250 N -3.31 1.08 -0.03 0.00 1.74 -0.53 -4.97 116.66 110.64 3d3i n ARG 250 Ca -0.08 -3.42 0.11 0.00 -0.77 0.00 0.00 57.85 53.69 3d3i n ARG 250 Cb 0.99 -1.67 0.52 0.00 -1.02 0.00 0.00 32.46 31.28 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 3.00 0.35 -0.56 5.56 0.13 -1.31 -2.27 132.00 136.90 3d3i h PRO 251 Ca 0.08 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.18 3d3i h PRO 251 Cb 0.98 -0.08 -0.03 0.00 0.13 0.00 0.00 31.00 32.00 3d3i h PRO 251 CO 0.51 0.23 0.32 0.00 -0.23 0.00 0.00 178.00 178.83 3d3i h ALA 252 N 1.73 1.52 -0.67 -0.56 0.00 -1.93 -1.58 119.26 117.78 3d3i h ALA 252 Ca 0.23 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 3d3i h ALA 252 Cb 0.44 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3d3i h ALA 252 CO -0.06 0.41 0.17 0.74 0.00 0.00 0.00 179.25 180.51 3d3i h PHE 253 N 0.77 1.09 -0.06 0.00 0.04 -1.80 -0.84 116.94 116.14 3d3i h PHE 253 Ca 0.20 -0.12 -0.20 0.00 2.80 0.00 0.00 57.97 60.65 3d3i h PHE 253 Cb -0.01 -0.31 -0.00 0.00 2.20 0.00 0.00 35.95 37.83 3d3i h PHE 253 CO 0.00 0.89 -0.79 1.88 -0.60 0.00 0.00 178.31 179.69 3d3i h TYR 254 N 1.00 0.60 -0.27 -0.55 0.05 -1.45 -0.85 116.97 115.50 3d3i h TYR 254 Ca 0.21 -0.28 -0.06 0.00 0.05 0.00 0.00 58.73 58.65 3d3i h TYR 254 Cb 0.35 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 37.99 3d3i h TYR 254 CO 0.03 1.06 -0.06 -0.07 -1.05 0.00 0.00 178.16 178.07 3d3i h LEU 255 N 0.28 0.53 -0.51 3.88 3.38 -1.16 -2.25 115.31 119.45 3d3i h LEU 255 Ca -0.04 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 3d3i h LEU 255 Cb 1.39 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 3d3i h LEU 255 CO 0.14 0.77 0.24 0.74 0.09 0.00 0.00 178.44 180.41 3d3i h THR 256 N 0.28 1.20 -0.79 0.22 2.02 -1.15 -1.05 112.91 113.65 3d3i h THR 256 Ca 0.07 -0.58 0.04 0.00 0.77 0.00 0.00 66.41 66.71 3d3i h THR 256 Cb 0.53 0.63 -0.05 0.00 -1.74 0.00 0.00 68.15 67.52 3d3i h THR 256 CO 0.03 0.23 0.50 0.00 0.37 0.00 0.00 175.52 176.64 3d3i h ALA 257 N 1.08 1.04 -0.28 6.16 0.00 -1.05 0.29 119.26 126.49 3d3i h ALA 257 Ca 0.18 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3d3i h ALA 257 Cb 0.14 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3d3i h ALA 257 CO -0.02 0.29 -0.00 1.03 0.00 0.00 0.00 179.25 180.55 3d3i h SER 258 N 0.96 0.49 -0.18 0.00 0.87 -1.16 -1.23 113.55 113.31 3d3i h SER 258 Ca 0.32 -0.31 0.02 0.00 -1.23 0.00 0.00 61.79 60.59 3d3i h SER 258 Cb 0.04 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 3d3i h SER 258 CO -0.12 0.69 0.05 -0.61 -0.53 0.00 0.00 176.83 176.30 3d3i h GLN 259 N 0.29 0.13 -0.42 2.24 4.15 -0.67 -1.78 115.11 119.03 3d3i h GLN 259 Ca 0.08 -0.01 -0.10 0.00 0.77 0.00 0.00 58.65 59.39 3d3i h GLN 259 Cb 0.44 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.08 3d3i h GLN 259 CO 0.02 0.08 -0.15 1.96 -1.93 0.00 0.00 178.83 178.81 3d3i h GLN 260 N 0.13 0.79 -0.84 1.69 4.20 -0.93 -1.10 115.11 119.05 3d3i h GLN 260 Ca 0.08 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.50 3d3i h GLN 260 Cb 0.06 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 3d3i h GLN 260 CO -0.09 0.89 0.53 -0.09 -0.67 0.00 0.00 178.83 179.41 3d3i h ARG 261 N 0.71 1.13 -0.01 1.46 2.43 -0.95 -1.57 114.38 117.58 3d3i h ARG 261 Ca 0.11 -0.09 -0.20 0.00 -0.81 0.00 0.00 59.98 59.00 3d3i h ARG 261 Cb 0.65 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 3d3i h ARG 261 CO 0.05 0.77 -0.86 -1.49 -1.51 0.00 0.00 179.97 176.93 3d3i h TRP 262 N 1.15 0.34 -0.48 2.20 4.06 -1.09 -2.30 115.95 119.83 3d3i h TRP 262 Ca 0.31 -0.18 -0.02 0.00 2.06 0.00 0.00 58.89 61.05 3d3i h TRP 262 Cb -0.08 -0.04 -0.02 0.00 -1.00 0.00 0.00 29.16 28.01 3d3i h TRP 262 CO -0.01 0.98 0.20 0.93 -3.56 0.00 0.00 178.44 176.99 3d3i h GLU 263 N 0.13 0.69 -0.30 0.49 4.39 -0.86 -2.31 114.58 116.81 3d3i h GLU 263 Ca -0.04 -0.09 -0.16 0.00 0.34 0.00 0.00 59.36 59.40 3d3i h GLU 263 Cb 1.47 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.99 3d3i h GLU 263 CO 0.13 0.56 -0.46 1.49 -1.16 0.00 0.00 179.01 179.57 3d3i h GLU 264 N 0.69 0.78 -0.56 2.33 4.81 -1.13 -0.96 114.58 120.55 3d3i h GLU 264 Ca 0.17 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 3d3i h GLU 264 Cb 0.12 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 3d3i h GLU 264 CO -0.02 1.08 0.35 1.88 -0.73 0.00 0.00 179.01 181.57 3d3i h TYR 265 N 0.62 0.72 -0.28 0.92 0.05 -0.90 -0.72 116.97 117.38 3d3i h TYR 265 Ca 0.04 0.01 -0.14 0.00 0.05 0.00 0.00 58.73 58.69 3d3i h TYR 265 Cb 1.04 -0.24 -0.00 0.00 1.01 0.00 0.00 36.73 38.53 3d3i h TYR 265 CO 0.06 0.48 -0.36 -0.07 -1.05 0.00 0.00 178.16 177.22 3d3i h LEU 266 N 0.76 0.81 -0.55 3.88 3.38 -1.38 -0.47 115.31 121.72 3d3i h LEU 266 Ca 0.20 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 3d3i h LEU 266 Cb -0.05 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 3d3i h LEU 266 CO -0.04 1.14 0.30 0.50 0.09 0.00 0.00 178.44 180.43 3d3i h LYS 267 N 0.49 0.77 0.01 1.13 1.63 -0.98 -1.47 116.57 118.16 3d3i h LYS 267 Ca 0.04 -0.09 -0.22 0.00 -0.85 0.00 0.00 60.65 59.52 3d3i h LYS 267 Cb 0.94 -0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 32.42 3d3i h LYS 267 CO 0.09 0.60 -0.94 0.87 -3.45 0.00 0.00 179.45 176.62 3d3i h LYS 268 N 0.74 0.28 0.14 1.90 1.57 -1.15 -3.38 116.57 116.68 3d3i h LYS 268 Ca 0.19 -0.32 -0.31 0.00 -1.87 0.00 0.00 60.65 58.34 3d3i h LYS 268 Cb 0.06 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3d3i h LYS 268 CO -0.03 1.04 -1.49 0.78 -0.57 0.00 0.00 179.45 179.18 3d3i h GLY 269 N 1.60 0.33 -7.10 3.86 0.00 -0.95 -3.41 103.07 97.40 3d3i h GLY 269 Ca -0.07 -0.85 -0.72 0.00 0.00 0.00 0.00 47.33 45.70 3d3i h GLY 269 CO 0.15 0.74 2.19 1.04 0.00 0.00 0.00 176.54 180.66 3d3i n LEU 270 N -3.50 5.81 -1.48 3.11 4.77 -0.56 -4.72 117.00 120.43 3d3i n LEU 270 Ca -0.16 -4.25 0.10 0.00 -0.03 0.00 0.00 56.01 51.68 3d3i n LEU 270 Cb 1.05 -1.64 0.34 0.00 -2.33 0.00 0.00 43.42 40.84 3d3i n LEU 270 CO 0.52 0.77 0.80 0.35 -1.33 0.00 0.00 177.39 178.50 3d3i n THR 271 N 5.03 1.49 -3.75 -5.08 -2.24 -1.26 -4.84 114.28 103.63 3d3i n THR 271 Ca 0.45 -1.12 -0.37 0.00 -2.27 0.00 0.00 64.05 60.74 3d3i n THR 271 Cb 0.42 0.29 -0.11 0.00 -2.10 0.00 0.00 70.33 68.82 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 -0.96 5.30 0.19 3.42 2.47 -1.26 -4.95 114.94 119.16 3d3i s ASN 272 Ca 0.50 -2.11 0.20 0.00 0.42 0.00 0.00 52.86 51.87 3d3i s ASN 272 Cb 0.30 -1.85 0.87 0.00 -1.45 0.00 0.00 41.25 39.12 3d3i s ASN 272 CO 0.28 -0.54 1.62 -0.81 -3.72 0.00 0.00 177.10 173.93 3d3i n PRO 273 N 4.50 0.13 0.00 0.43 -0.04 -1.26 -2.38 135.00 136.38 3d3i n PRO 273 Ca -0.02 0.40 0.13 0.00 -0.04 0.00 0.00 63.50 63.97 3d3i n PRO 273 Cb 0.41 -1.77 0.35 0.00 -0.04 0.00 0.00 33.50 32.44 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 -2.03 0.53 -4.77 3.54 8.00 -1.26 -4.91 116.55 115.65 3d3i n ASP 274 Ca 0.02 -0.30 -0.37 0.00 0.71 0.00 0.00 54.79 54.85 3d3i n ASP 274 Cb 0.19 0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.37 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 -2.87 3.13 0.73 2.24 0.00 -1.00 -0.73 121.76 123.27 3d3i s ALA 275 Ca 0.15 0.81 -0.12 0.00 0.00 0.00 0.00 51.96 52.81 3d3i s ALA 275 Cb 0.18 -3.32 0.03 0.00 0.00 0.00 0.00 23.12 20.02 3d3i s ALA 275 CO 0.63 -0.33 1.11 0.95 0.00 0.00 0.00 175.76 178.13 3d3i s THR 276 N -1.53 3.16 0.32 0.00 -4.23 -1.26 -4.80 115.64 107.31 3d3i s THR 276 Ca 0.56 0.38 0.02 0.00 -1.18 0.00 0.00 61.69 61.47 3d3i s THR 276 Cb -0.26 -3.35 0.28 0.00 1.34 0.00 0.00 72.50 70.51 3d3i s THR 276 CO 0.33 -0.49 1.94 -0.65 -0.54 0.00 0.00 174.62 175.20 3d3i h PRO 277 N -0.77 0.91 -0.70 3.99 0.11 -1.99 0.48 132.00 134.03 3d3i h PRO 277 Ca -0.45 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 3d3i h PRO 277 Cb 1.27 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 3d3i h PRO 277 CO 0.64 0.60 0.26 0.93 -0.21 0.00 0.00 178.00 180.22 3d3i h GLU 278 N 0.94 1.07 -0.16 1.05 3.07 -1.99 -0.38 114.58 118.18 3d3i h GLU 278 Ca 0.35 -0.21 -0.14 0.00 -0.50 0.00 0.00 59.36 58.86 3d3i h GLU 278 Cb 0.16 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 3d3i h GLU 278 CO -0.12 0.89 -0.50 1.96 -1.40 0.00 0.00 179.01 179.84 3d3i h GLN 279 N 1.01 0.42 -0.28 2.33 4.20 -1.69 -2.60 115.11 118.50 3d3i h GLN 279 Ca 0.23 -0.25 -0.11 0.00 0.06 0.00 0.00 58.65 58.59 3d3i h GLN 279 Cb 0.24 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 3d3i h GLN 279 CO -0.02 0.83 -0.27 1.15 -0.67 0.00 0.00 178.83 179.85 3d3i h THR 280 N 0.33 1.27 -0.33 -0.54 2.02 -0.54 -2.57 112.91 112.56 3d3i h THR 280 Ca 0.01 -1.34 -0.06 0.00 0.77 0.00 0.00 66.41 65.80 3d3i h THR 280 Cb 1.00 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.75 3d3i h THR 280 CO 0.09 0.43 -0.06 -0.09 0.37 0.00 0.00 175.52 176.26 3d3i h ARG 281 N 0.48 0.53 -0.50 6.66 2.43 -0.79 -1.23 114.38 121.97 3d3i h ARG 281 Ca 0.07 -0.13 -0.04 0.00 -0.81 0.00 0.00 59.98 59.07 3d3i h ARG 281 Cb 0.72 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 3d3i h ARG 281 CO 0.06 0.60 0.17 0.28 -1.51 0.00 0.00 179.97 179.56 3d3i h VAL 282 N 0.50 1.22 -0.75 0.20 2.07 -1.10 -0.62 116.25 117.78 3d3i h VAL 282 Ca 0.10 -0.74 0.04 0.00 0.82 0.00 0.00 66.70 66.92 3d3i h VAL 282 Cb 0.41 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 3d3i h VAL 282 CO 0.02 0.27 0.47 0.00 0.02 0.00 0.00 177.57 178.35 3d3i h ALA 283 N 1.02 0.99 -0.53 1.67 0.00 -1.04 -0.52 119.26 120.86 3d3i h ALA 283 Ca 0.16 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3d3i h ALA 283 Cb 0.25 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3d3i h ALA 283 CO -0.01 0.25 -0.00 0.28 0.00 0.00 0.00 179.25 179.77 3d3i h VAL 284 N 0.91 1.25 -0.84 0.00 2.07 -0.82 -0.99 116.25 117.83 3d3i h VAL 284 Ca 0.31 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 3d3i h VAL 284 Cb 0.05 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 3d3i h VAL 284 CO -0.12 0.38 0.47 0.50 0.02 0.00 0.00 177.57 178.82 3d3i h LYS 285 N 0.83 1.17 -0.64 1.57 3.64 -0.23 0.16 116.57 123.07 3d3i h LYS 285 Ca 0.16 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 3d3i h LYS 285 Cb 0.49 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 3d3i h LYS 285 CO 0.02 0.86 0.30 0.00 -2.27 0.00 0.00 179.45 178.36 3d3i h ALA 286 N 1.25 0.82 -0.45 5.00 0.00 -0.56 -0.17 119.26 125.15 3d3i h ALA 286 Ca 0.30 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3d3i h ALA 286 Cb 0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3d3i h ALA 286 CO -0.05 0.39 0.09 0.82 0.00 0.00 0.00 179.25 180.50 3d3i h ILE 287 N 0.88 1.24 -0.68 0.00 5.03 -0.57 -1.06 117.51 122.35 3d3i h ILE 287 Ca 0.22 -0.86 -0.03 0.00 -0.12 0.00 0.00 64.86 64.06 3d3i h ILE 287 Cb 0.12 0.94 -0.03 0.00 -3.03 0.00 0.00 36.82 34.82 3d3i h ILE 287 CO -0.03 0.30 0.30 -0.33 -0.68 0.00 0.00 178.15 177.71 3d3i h GLU 288 N 0.60 1.00 0.14 2.37 5.08 -0.72 -1.79 114.58 121.26 3d3i h GLU 288 Ca 0.14 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3d3i h GLU 288 Cb 0.36 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3d3i h GLU 288 CO 0.01 0.82 -0.07 1.15 -1.00 0.00 0.00 179.01 179.91 3d3i h THR 289 N 0.96 0.95 -0.50 1.13 2.02 -0.80 -1.00 112.91 115.66 3d3i h THR 289 Ca 0.23 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 3d3i h THR 289 Cb 0.17 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 3d3i h THR 289 CO -0.02 0.08 0.27 -0.07 0.37 0.00 0.00 175.52 176.15 3d3i h LEU 290 N -0.35 0.62 -1.38 2.58 3.38 -1.16 -1.85 115.31 117.16 3d3i h LEU 290 Ca -0.02 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 3d3i h LEU 290 Cb 0.28 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3d3i h LEU 290 CO 0.03 0.54 -0.31 0.78 0.09 0.00 0.00 178.44 179.57 3d3i h ASN 291 N 0.66 0.00 1.04 -0.43 2.35 -1.30 -2.22 115.58 115.69 3d3i h ASN 291 Ca 0.18 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.85 3d3i h ASN 291 Cb 0.05 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 3d3i h ASN 291 CO -0.03 0.31 -0.35 1.23 -1.65 0.00 0.00 177.43 176.94 3d3i h GLY 292 N 0.96 0.00 -0.43 2.83 0.00 -0.64 -2.98 103.07 102.81 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 -0.02 0.70 0.00 0.00 0.00 176.54 177.26 3d3i n ASN 293 N -3.40 1.48 -4.71 0.19 3.02 -0.74 -4.74 115.26 106.36 3d3i n ASN 293 Ca 0.00 -1.46 -0.42 0.00 -0.03 0.00 0.00 54.58 52.67 3d3i n ASN 293 Cb 0.54 0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.68 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 -2.03 3.64 -0.00 3.10 -0.00 -1.06 -1.63 118.94 120.96 3d3i s TRP 294 Ca 0.37 1.68 0.08 0.00 -0.00 0.00 0.00 56.10 58.24 3d3i s TRP 294 Cb 0.21 -3.13 -0.02 0.00 -0.00 0.00 0.00 33.47 30.53 3d3i s TRP 294 CO 0.35 -0.05 -0.26 1.03 -0.00 0.00 0.00 176.95 178.02 3d3i s ARG 295 N 1.10 1.98 0.87 5.86 1.81 0.15 -3.70 118.95 127.02 3d3i s ARG 295 Ca 0.52 -0.97 -0.13 0.00 -1.72 0.00 0.00 55.73 53.43 3d3i s ARG 295 Cb -0.21 -1.98 0.12 0.00 -0.45 0.00 0.00 34.95 32.42 3d3i s ARG 295 CO 0.27 0.54 1.17 -1.54 -0.68 0.00 0.00 175.30 175.06 3d3i s SER 296 N -0.79 3.90 0.44 0.23 1.04 0.32 -0.40 113.70 118.44 3d3i s SER 296 Ca 0.10 0.80 -0.23 0.00 0.48 0.00 0.00 55.95 57.10 3d3i s SER 296 Cb -0.10 -1.28 -0.10 0.00 0.10 0.00 0.00 66.02 64.64 3d3i s SER 296 CO -0.00 -2.29 1.00 -2.65 0.98 0.00 0.00 173.24 170.28 3d3i n PRO 297 N -3.57 1.29 -3.64 4.02 -0.02 -1.24 -4.71 135.00 127.14 3d3i n PRO 297 Ca 0.08 0.47 -0.06 0.00 -2.02 0.00 0.00 63.50 61.97 3d3i n PRO 297 Cb 0.60 -2.05 -0.07 0.00 -0.02 0.00 0.00 33.50 31.96 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 -0.80 -0.40 0.00 -1.23 0.00 -0.14 -4.99 107.32 99.75 3d3i s GLY 298 Ca 0.65 2.65 0.00 0.00 0.00 0.00 0.00 44.72 48.01 3d3i s GLY 298 CO 0.56 2.40 0.00 0.61 0.00 0.00 0.00 173.10 176.67 3d3i n GLY 299 N 3.92 3.43 0.15 0.20 0.00 -1.26 -2.12 105.19 109.49 3d3i n GLY 299 Ca -0.19 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.96 1.00 -2.26 4.61 0.00 -1.10 -3.41 119.26 117.15 3d3i h ALA 300 Ca 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 54.91 54.23 3d3i h ALA 300 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.62 3d3i h ALA 300 CO 0.00 0.00 -0.04 0.08 0.00 0.00 0.00 179.25 179.29 3d3i s VAL 301 N -3.36 4.96 -2.12 0.00 1.01 -0.90 -4.92 120.40 115.07 3d3i s VAL 301 Ca 0.04 -0.21 0.15 0.00 0.00 0.00 0.00 61.98 61.96 3d3i s VAL 301 Cb 0.09 -4.15 0.37 0.00 0.00 0.00 0.00 36.38 32.69 3d3i s VAL 301 CO 0.40 -0.55 1.40 0.29 0.00 0.00 0.00 175.10 176.64 3d3i n LYS 302 N 5.94 1.64 -4.37 2.72 4.76 -1.26 -0.97 118.16 126.61 3d3i n LYS 302 Ca -0.05 -0.97 -0.19 0.00 -2.87 0.00 0.00 58.31 54.23 3d3i n LYS 302 Cb 0.47 -1.30 -0.10 0.00 -1.84 0.00 0.00 35.03 32.26 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 -1.72 1.77 0.47 2.13 0.08 -1.26 -4.79 117.98 114.65 3d3i s PHE 303 Ca 0.26 -0.65 -0.23 0.00 0.12 0.00 0.00 56.93 56.43 3d3i s PHE 303 Cb 0.13 -0.91 -0.07 0.00 -0.57 0.00 0.00 43.02 41.61 3d3i s PHE 303 CO 0.20 0.29 1.18 -0.80 -0.10 0.00 0.00 175.22 175.99 3d3i s ASN 304 N -3.35 6.10 0.32 1.36 0.01 -1.26 -3.63 114.94 114.48 3d3i s ASN 304 Ca 0.25 2.34 -0.01 0.00 -0.71 0.00 0.00 52.86 54.73 3d3i s ASN 304 Cb 0.01 -2.60 -0.01 0.00 0.41 0.00 0.00 41.25 39.06 3d3i s ASN 304 CO 0.08 -0.97 0.39 0.28 -1.51 0.00 0.00 177.10 175.38 3d3i s THR 305 N -1.53 0.00 -0.04 1.60 -1.32 0.46 -3.00 115.64 111.81 3d3i s THR 305 Ca 0.64 -1.73 0.00 0.00 -1.21 0.00 0.00 61.69 59.40 3d3i s THR 305 Cb -0.29 -2.56 0.03 0.00 -1.51 0.00 0.00 72.50 68.16 3d3i s THR 305 CO 0.36 0.00 -0.01 -0.69 -2.21 0.00 0.00 174.62 172.06 3d3i s VAL 306 N -3.32 0.33 0.37 5.08 1.01 -1.26 0.33 120.40 122.92 3d3i s VAL 306 Ca 0.33 0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.41 3d3i s VAL 306 Cb 0.01 -0.42 -0.00 0.00 0.00 0.00 0.00 36.38 35.97 3d3i s VAL 306 CO 0.21 0.19 0.51 0.42 0.00 0.00 0.00 175.10 176.43 3d3i s THR 307 N 1.19 3.77 0.51 3.92 -4.23 -0.64 -4.77 115.64 115.39 3d3i s THR 307 Ca -0.07 -0.97 0.18 0.00 -1.18 0.00 0.00 61.69 59.65 3d3i s THR 307 Cb -0.14 -3.30 0.27 0.00 1.34 0.00 0.00 72.50 70.67 3d3i s THR 307 CO -0.02 -0.12 2.13 -0.65 -0.54 0.00 0.00 174.62 175.42 3d3i h PRO 308 N 0.79 0.00 -0.58 3.99 0.11 -1.77 -3.42 132.00 131.12 3d3i h PRO 308 Ca -0.44 0.00 0.22 0.00 0.11 0.00 0.00 66.00 65.89 3d3i h PRO 308 Cb 1.26 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 32.10 3d3i h PRO 308 CO 0.51 0.04 0.45 0.45 -0.21 0.00 0.00 178.00 179.24 3d3i s SER 309 N -6.88 -0.25 0.56 -2.05 0.15 -1.23 0.17 113.70 104.17 3d3i s SER 309 Ca -0.05 0.36 0.33 0.00 0.70 0.00 0.00 55.95 57.28 3d3i s SER 309 Cb 0.16 1.26 1.62 0.00 -1.71 0.00 0.00 66.02 67.36 3d3i s SER 309 CO 0.65 -0.05 2.11 1.62 1.20 0.00 0.00 173.24 178.77 3d3i h VAL 310 N 5.19 0.30 -0.02 4.45 3.04 -1.80 -2.21 116.25 125.21 3d3i h VAL 310 Ca -0.16 -0.44 0.00 0.00 -1.01 0.00 0.00 66.70 65.09 3d3i h VAL 310 Cb 1.13 1.33 0.00 0.00 -2.01 0.00 0.00 31.29 31.74 3d3i h VAL 310 CO 0.09 0.07 -0.29 0.35 -1.01 0.00 0.00 177.57 176.78 3d3i n THR 311 N -3.37 0.00 -2.28 3.17 -2.24 -1.26 -4.63 114.28 103.66 3d3i n THR 311 Ca -0.01 -0.35 -0.37 0.00 -2.27 0.00 0.00 64.05 61.06 3d3i n THR 311 Cb 0.23 1.32 -0.01 0.00 -2.10 0.00 0.00 70.33 69.77 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 -2.30 2.74 0.25 3.38 0.00 -0.84 -1.76 107.32 108.80 3d3i s GLY 312 Ca 0.22 0.89 -0.05 0.00 0.00 0.00 0.00 44.72 45.79 3d3i s GLY 312 CO 0.47 1.32 1.90 -0.09 0.00 0.00 0.00 173.10 176.70 3d3i h ARG 313 N 1.89 1.19 0.00 2.90 9.65 -1.89 -3.20 114.38 124.92 3d3i h ARG 313 Ca -0.49 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.31 3d3i h ARG 313 Cb 1.25 -0.27 0.00 0.00 -1.39 0.00 0.00 29.97 29.56 3d3i h ARG 313 CO 0.60 0.78 0.00 0.91 2.80 0.00 0.00 179.97 185.06 3d3i n TRP 314 N -4.47 0.00 -0.04 2.20 7.02 -1.26 -4.71 117.44 116.17 3d3i n TRP 314 Ca 0.13 -0.43 0.04 0.00 -1.02 0.00 0.00 57.50 56.22 3d3i n TRP 314 Cb 0.10 -0.04 0.09 0.00 -2.42 0.00 0.00 31.31 29.04 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 -0.43 0.26 -1.12 -5.99 3.72 -1.21 -4.99 117.46 107.69 3d3i n PHE 315 Ca 0.00 -0.41 0.00 0.00 -0.05 0.00 0.00 57.45 56.99 3d3i n PHE 315 Cb 0.26 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.77 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 0.23 0.00 0.00 4.37 2.88 -1.19 -3.57 113.62 116.34 3d3i n SER 316 Ca 0.07 -0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.35 3d3i n SER 316 Cb 0.34 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 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 3.10 0.81 0.46 0.00 -1.24 -2.24 105.19 111.08 3d3i n GLY 317 Ca 0.00 -0.31 0.02 0.00 0.00 0.00 0.00 46.02 45.73 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 1.68 2.12 -4.69 1.61 6.94 -1.21 -4.86 115.26 116.85 3d3i n ASN 318 Ca 0.00 -3.78 -0.42 0.00 -0.02 0.00 0.00 54.58 50.36 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 4.13 -0.02 -3.83 -0.21 -0.95 -4.56 119.66 111.00 3d3i s GLN 319 Ca 0.40 2.61 0.04 0.00 0.02 0.00 0.00 55.36 58.44 3d3i s GLN 319 Cb 0.38 -3.63 -0.01 0.00 1.00 0.00 0.00 33.01 30.76 3d3i s GLN 319 CO -0.03 -0.86 -0.15 0.99 -2.12 0.00 0.00 175.29 173.12 3d3i s THR 320 N 2.84 1.21 0.08 -0.19 2.01 -0.17 -4.37 115.64 117.05 3d3i s THR 320 Ca 0.82 -0.63 0.09 0.00 0.31 0.00 0.00 61.69 62.28 3d3i s THR 320 Cb -0.46 -1.03 -0.03 0.00 0.01 0.00 0.00 72.50 70.99 3d3i s THR 320 CO 0.37 0.35 -0.23 0.26 -0.69 0.00 0.00 174.62 174.68 3d3i s TRP 321 N -0.14 2.42 0.05 4.92 0.51 -1.26 -2.11 118.94 123.33 3d3i s TRP 321 Ca 0.01 -0.34 -0.26 0.00 -2.12 0.00 0.00 56.10 53.40 3d3i s TRP 321 Cb -0.08 -1.36 -0.17 0.00 -0.81 0.00 0.00 33.47 31.05 3d3i s TRP 321 CO 0.00 0.26 1.54 -1.35 -0.51 0.00 0.00 176.95 176.90 3d3i h PRO 322 N 4.29 -0.30 -0.34 4.98 0.11 -1.78 -2.14 132.00 136.82 3d3i h PRO 322 Ca -0.49 0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.72 3d3i h PRO 322 Cb 1.16 0.07 -0.08 0.00 0.11 0.00 0.00 31.00 32.25 3d3i h PRO 322 CO 0.44 -0.10 -0.31 2.35 -0.21 0.00 0.00 178.00 180.17 3d3i h TRP 323 N -0.45 -0.86 -0.60 0.65 -0.00 -1.91 -1.19 115.95 111.60 3d3i h TRP 323 Ca -0.03 0.05 -0.00 0.00 -0.00 0.00 0.00 58.89 58.91 3d3i h TRP 323 Cb 0.34 0.43 -0.03 0.00 -0.00 0.00 0.00 29.16 29.90 3d3i h TRP 323 CO -0.02 -0.37 0.36 -0.44 -0.00 0.00 0.00 178.44 177.96 3d3i h ASP 324 N -0.27 0.71 -0.99 2.65 3.45 -1.96 -2.89 116.42 117.13 3d3i h ASP 324 Ca 0.16 -0.06 0.05 0.00 0.43 0.00 0.00 57.03 57.61 3d3i h ASP 324 Cb 0.53 -0.18 -0.06 0.00 -0.56 0.00 0.00 39.33 39.05 3d3i h ASP 324 CO -0.49 0.56 0.64 0.74 -1.57 0.00 0.00 179.24 179.12 3d3i h THR 325 N 0.81 1.12 -0.29 0.35 2.02 -0.62 0.43 112.91 116.73 3d3i h THR 325 Ca 0.21 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 3d3i h THR 325 Cb -0.02 -0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.19 3d3i h THR 325 CO -0.04 0.22 0.17 -0.50 0.37 0.00 0.00 175.52 175.74 3d3i h TRP 326 N 1.20 0.39 -0.17 3.16 -0.00 -1.03 -0.22 115.95 119.29 3d3i h TRP 326 Ca 0.41 -0.00 -0.19 0.00 -0.00 0.00 0.00 58.89 59.11 3d3i h TRP 326 Cb 0.09 -0.13 0.00 0.00 -0.00 0.00 0.00 29.16 29.12 3d3i h TRP 326 CO -0.00 0.31 -0.67 1.57 -0.00 0.00 0.00 178.44 179.65 3d3i h LYS 327 N 0.37 0.65 -0.10 0.49 2.10 -1.48 -2.09 116.57 116.50 3d3i h LYS 327 Ca 0.10 -0.47 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 3d3i h LYS 327 Cb 0.03 0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 31.44 3d3i h LYS 327 CO -0.02 1.09 0.06 1.96 -2.00 0.00 0.00 179.45 180.55 3d3i h GLN 328 N 0.47 0.13 -0.30 0.07 4.20 -0.73 -2.55 115.11 116.40 3d3i h GLN 328 Ca -0.02 -0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.58 3d3i h GLN 328 Cb 1.26 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.99 3d3i h GLN 328 CO 0.13 0.11 -0.23 0.00 -0.67 0.00 0.00 178.83 178.17 3d3i h ALA 329 N 1.02 1.04 -0.45 3.87 0.00 -1.06 -2.95 119.26 120.73 3d3i h ALA 329 Ca 0.04 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.62 3d3i h ALA 329 Cb 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3d3i h ALA 329 CO -0.01 0.58 0.26 0.35 0.00 0.00 0.00 179.25 180.43 3d3i h PHE 330 N 0.51 0.49 0.00 0.00 3.57 -1.20 -0.53 116.94 119.79 3d3i h PHE 330 Ca 0.08 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.59 3d3i h PHE 330 Cb 0.67 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.25 3d3i h PHE 330 CO 0.03 0.28 0.00 0.00 -2.23 0.00 0.00 178.31 176.39 3d3i n ALA 331 N -2.26 2.08 0.00 2.41 0.00 -0.98 -4.28 120.51 117.48 3d3i n ALA 331 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3d3i n ALA 331 Cb 0.07 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 1.47 0.00 0.00 -0.21 -4.18 120.51 118.22 3d3i n ALA 333 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 3d3i n ALA 333 Cb 0.28 0.00 0.47 0.00 0.00 0.00 0.00 19.45 20.20 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 -0.12 0.12 0.00 0.00 8.25 -1.26 -4.15 115.22 118.06 3d3i n HIS 334 Ca 0.00 -0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 3d3i n HIS 334 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 0.00 0.00 -3.17 4.41 1.16 -1.26 -3.35 117.46 115.24 3d3i n PHE 335 Ca 0.17 0.00 -0.20 0.00 -1.87 0.00 0.00 57.45 55.55 3d3i n PHE 335 Cb 0.27 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.10 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 -0.38 1.07 -0.15 5.98 2.85 -1.26 -4.48 115.26 118.88 3d3i n ASN 336 Ca 0.00 -3.02 0.14 0.00 -0.11 0.00 0.00 54.58 51.59 3d3i n ASN 336 Cb 0.00 -0.62 0.49 0.00 1.24 0.00 0.00 39.78 40.89 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 3.18 0.43 -0.65 1.20 0.13 -1.94 -2.22 132.00 132.12 3d3i h PRO 337 Ca 0.10 -0.03 0.02 0.00 -0.87 0.00 0.00 66.00 65.23 3d3i h PRO 337 Cb 0.91 -0.10 -0.04 0.00 0.13 0.00 0.00 31.00 31.91 3d3i h PRO 337 CO 0.53 0.28 0.41 -0.44 -0.23 0.00 0.00 178.00 178.55 3d3i h ASP 338 N 0.44 0.68 1.02 1.44 3.32 -1.94 -1.31 116.42 120.07 3d3i h ASP 338 Ca 0.35 -0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.22 3d3i h ASP 338 Cb 0.75 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 3d3i h ASP 338 CO -0.11 0.48 -0.83 0.40 -1.72 0.00 0.00 179.24 177.46 3d3i h ILE 339 N 0.81 1.49 -0.29 0.35 5.03 -1.88 -2.44 117.51 120.59 3d3i h ILE 339 Ca 0.26 -2.93 0.00 0.00 -0.12 0.00 0.00 64.86 62.07 3d3i h ILE 339 Cb -0.01 2.62 -0.01 0.00 -3.03 0.00 0.00 36.82 36.40 3d3i h ILE 339 CO -0.09 0.81 0.19 0.00 -0.68 0.00 0.00 178.15 178.37 3d3i h ALA 340 N 1.17 0.36 -0.45 1.87 0.00 -0.95 0.73 119.26 122.00 3d3i h ALA 340 Ca -0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3d3i h ALA 340 Cb 1.56 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 3d3i h ALA 340 CO 0.11 -0.17 0.21 0.87 0.00 0.00 0.00 179.25 180.27 3d3i h LYS 341 N 0.39 0.65 -0.59 0.00 1.57 -1.23 -2.65 116.57 114.72 3d3i h LYS 341 Ca 0.11 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3d3i h LYS 341 Cb -0.04 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 3d3i h LYS 341 CO -0.02 0.56 0.37 0.93 -0.57 0.00 0.00 179.45 180.71 3d3i h GLU 342 N 0.58 0.80 -0.62 3.15 4.39 -1.04 -0.86 114.58 120.98 3d3i h GLU 342 Ca 0.15 -0.07 0.05 0.00 0.34 0.00 0.00 59.36 59.84 3d3i h GLU 342 Cb 0.13 -0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 28.56 3d3i h GLU 342 CO -0.02 0.56 0.35 -0.97 -1.16 0.00 0.00 179.01 177.77 3d3i h ASN 343 N 0.80 0.53 -0.50 1.42 -1.24 -0.72 0.26 115.58 116.12 3d3i h ASN 343 Ca 0.21 0.02 -0.04 0.00 0.71 0.00 0.00 56.30 57.20 3d3i h ASN 343 Cb -0.04 -0.08 -0.02 0.00 0.73 0.00 0.00 38.32 38.90 3d3i h ASN 343 CO -0.04 0.35 0.14 0.40 -1.29 0.00 0.00 177.43 176.99 3d3i h ILE 344 N 0.66 1.23 -0.81 2.57 1.08 -1.13 -2.81 117.51 118.31 3d3i h ILE 344 Ca 0.27 -0.80 -0.01 0.00 -0.39 0.00 0.00 64.86 63.93 3d3i h ILE 344 Cb 0.13 0.80 -0.04 0.00 -3.07 0.00 0.00 36.82 34.64 3d3i h ILE 344 CO -0.16 0.29 0.47 0.03 -0.69 0.00 0.00 178.15 178.09 3d3i h ARG 345 N 0.69 1.11 -0.28 2.37 3.08 -0.20 -2.47 114.38 118.69 3d3i h ARG 345 Ca 0.16 -0.11 0.05 0.00 0.07 0.00 0.00 59.98 60.15 3d3i h ARG 345 Cb 0.30 -0.23 -0.05 0.00 0.08 0.00 0.00 29.97 30.08 3d3i h ARG 345 CO -0.00 0.80 -0.01 0.00 -1.07 0.00 0.00 179.97 179.69 3d3i h ALA 346 N 1.25 0.24 -0.55 0.04 0.00 -0.29 0.29 119.26 120.24 3d3i h ALA 346 Ca 0.29 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 3d3i h ALA 346 Cb -0.01 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3d3i h ALA 346 CO -0.05 -0.42 0.24 0.28 0.00 0.00 0.00 179.25 179.30 3d3i h VAL 347 N 0.07 1.21 0.00 0.00 2.07 -1.32 -2.77 116.25 115.52 3d3i h VAL 347 Ca 0.13 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3d3i h VAL 347 Cb 0.18 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 3d3i h VAL 347 CO -0.23 0.25 0.00 -0.26 0.02 0.00 0.00 177.57 177.35 3d3i h PHE 348 N 0.74 0.00 0.00 1.57 0.04 -1.06 -3.21 116.94 115.02 3d3i h PHE 348 Ca 0.18 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.95 3d3i h PHE 348 Cb 0.16 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.31 3d3i h PHE 348 CO 0.00 0.00 -0.00 0.66 -0.60 0.00 0.00 178.31 178.37 3d3i h SER 349 N 0.00 0.00 -0.25 2.17 4.64 -0.13 -1.62 113.55 118.36 3d3i h SER 349 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3d3i h SER 349 Cb 0.68 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.74 3d3i h SER 349 CO 0.00 0.00 -0.03 0.79 -0.87 0.00 0.00 176.83 176.72 3d3i n TRP 350 N -3.10 0.83 -2.05 4.77 7.02 -1.21 -5.00 117.44 118.70 3d3i n TRP 350 Ca -0.01 -1.14 -0.41 0.00 -1.02 0.00 0.00 57.50 54.92 3d3i n TRP 350 Cb 0.18 -0.35 -0.02 0.00 -2.42 0.00 0.00 31.31 28.71 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 -2.98 4.30 0.16 -0.99 0.74 -0.61 -4.54 119.66 115.74 3d3i s GLN 351 Ca 0.41 2.27 -0.32 0.00 0.05 0.00 0.00 55.36 57.78 3d3i s GLN 351 Cb 0.35 -3.08 -0.10 0.00 1.10 0.00 0.00 33.01 31.28 3d3i s GLN 351 CO 0.05 -0.30 1.61 0.42 -0.55 0.00 0.00 175.29 176.52 3d3i s ILE 352 N -0.72 2.57 0.17 -2.34 -1.09 -0.20 -4.88 121.20 114.73 3d3i s ILE 352 Ca 0.53 0.37 0.05 0.00 -2.23 0.00 0.00 60.65 59.37 3d3i s ILE 352 Cb -0.41 -3.24 -0.04 0.00 -1.58 0.00 0.00 42.46 37.20 3d3i s ILE 352 CO 0.50 0.02 0.15 -1.10 -1.23 0.00 0.00 174.94 173.28 3d3i s GLN 353 N 1.36 2.91 0.27 2.79 -1.52 -1.26 -1.22 119.66 123.00 3d3i s GLN 353 Ca 0.72 -0.89 -0.30 0.00 -1.95 0.00 0.00 55.36 52.94 3d3i s GLN 353 Cb -0.44 -2.64 -0.13 0.00 -0.22 0.00 0.00 33.01 29.57 3d3i s GLN 353 CO 0.32 0.48 1.26 -2.30 -0.25 0.00 0.00 175.29 174.80 3d3i n PRO 354 N -0.44 1.84 -1.01 2.91 -0.02 -1.26 -1.68 135.00 135.34 3d3i n PRO 354 Ca -0.08 0.65 -0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3d3i n PRO 354 Cb 0.55 -2.21 -0.00 0.00 -0.02 0.00 0.00 33.50 31.82 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 1.52 0.45 3.63 -1.23 0.00 -1.26 -4.99 105.19 103.31 3d3i n GLY 355 Ca 0.09 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 45.04 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 1.13 1.75 0.23 1.61 2.03 -0.67 -4.88 116.55 117.75 3d3i n ASP 356 Ca -0.00 1.14 0.11 0.00 0.52 0.00 0.00 54.79 56.55 3d3i n ASP 356 Cb 0.02 -1.37 0.54 0.00 -0.72 0.00 0.00 41.12 39.59 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 2.01 0.00 0.00 1.67 4.64 -1.94 -3.26 113.55 116.67 3d3i h SER 357 Ca -0.43 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.49 3d3i h SER 357 Cb 1.32 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.35 3d3i h SER 357 CO 0.60 0.20 -2.31 0.52 -0.87 0.00 0.00 176.83 174.96 3d3i n VAL 358 N -3.47 1.33 -3.34 0.95 0.31 -1.26 -4.88 118.33 107.97 3d3i n VAL 358 Ca -0.01 -0.32 -0.26 0.00 -0.01 0.00 0.00 64.34 63.74 3d3i n VAL 358 Cb 0.37 -1.84 -0.08 0.00 -0.91 0.00 0.00 33.84 31.38 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 -4.09 0.93 0.20 5.55 1.85 -1.26 -4.94 116.66 114.90 3d3i n ARG 359 Ca -0.47 -3.53 0.14 0.00 -1.00 0.00 0.00 57.85 52.99 3d3i n ARG 359 Cb 0.83 -1.59 0.69 0.00 -1.05 0.00 0.00 32.46 31.34 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 4.59 0.00 -0.01 2.89 0.13 -1.90 -1.27 132.00 136.43 3d3i h PRO 360 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3d3i h PRO 360 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3d3i h PRO 360 CO 0.51 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.28 3d3i n GLN 361 N -2.45 1.27 -1.32 0.86 0.00 -1.26 -3.95 117.38 110.53 3d3i n GLN 361 Ca -0.01 -0.39 -0.14 0.00 0.00 0.00 0.00 57.00 56.47 3d3i n GLN 361 Cb 0.10 -1.47 0.12 0.00 0.00 0.00 0.00 30.24 28.98 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 -0.51 3.86 -4.67 2.61 8.00 -0.48 -4.96 116.55 120.39 3d3i n ASP 362 Ca 0.21 -3.80 -0.46 0.00 0.71 0.00 0.00 54.79 51.45 3d3i n ASP 362 Cb 0.20 -0.53 -0.04 0.00 -0.02 0.00 0.00 41.12 40.73 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 -0.94 0.09 0.00 2.53 0.31 -1.25 -1.21 118.33 117.87 3d3i n VAL 363 Ca 0.38 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.69 3d3i n VAL 363 Cb 0.90 -1.59 0.00 0.00 -0.91 0.00 0.00 33.84 32.24 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 2.75 3.77 2.92 0.00 -0.35 -4.47 105.19 113.38 3d3i n GLY 364 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.73 2.72 -0.21 1.61 5.36 -0.35 -3.79 117.98 120.59 3d3i s PHE 365 Ca 0.00 1.27 -0.02 0.00 -0.96 0.00 0.00 56.93 57.22 3d3i s PHE 365 Cb 0.00 -3.88 0.00 0.00 -0.34 0.00 0.00 43.02 38.80 3d3i s PHE 365 CO 0.00 -2.58 -0.09 0.08 -1.46 0.00 0.00 175.22 171.17 3d3i s VAL 366 N -1.15 2.91 0.41 3.12 1.01 -1.26 -1.03 120.40 124.41 3d3i s VAL 366 Ca 0.53 -0.70 -0.25 0.00 0.00 0.00 0.00 61.98 61.56 3d3i s VAL 366 Cb -0.43 -2.32 -0.11 0.00 0.00 0.00 0.00 36.38 33.52 3d3i s VAL 366 CO 0.58 0.43 1.12 -2.65 0.00 0.00 0.00 175.10 174.58 3d3i n PRO 367 N 4.73 1.61 -0.30 2.72 -0.02 -1.26 -4.46 135.00 138.02 3d3i n PRO 367 Ca -0.19 0.57 -0.04 0.00 -2.02 0.00 0.00 63.50 61.82 3d3i n PRO 367 Cb 0.50 -2.17 0.10 0.00 -0.02 0.00 0.00 33.50 31.91 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 1.83 1.08 -3.02 2.55 3.58 -0.95 -3.40 116.42 118.09 3d3i h ASP 368 Ca -0.45 -0.12 -0.19 0.00 0.42 0.00 0.00 57.03 56.68 3d3i h ASP 368 Cb 1.32 -0.28 -0.31 0.00 1.72 0.00 0.00 39.33 41.78 3d3i h ASP 368 CO 0.59 0.90 -0.49 -0.22 -2.88 0.00 0.00 179.24 177.14 3d3i s LEU 369 N -9.81 -0.09 0.15 2.28 0.20 -1.06 -4.09 118.68 106.27 3d3i s LEU 369 Ca -0.12 0.62 0.11 0.00 0.69 0.00 0.00 54.13 55.43 3d3i s LEU 369 Cb 0.16 0.80 -0.04 0.00 -0.43 0.00 0.00 46.19 46.69 3d3i s LEU 369 CO 0.83 -0.21 -0.25 0.27 -0.29 0.00 0.00 176.35 176.70 3d3i s ILE 370 N 1.99 2.37 0.38 6.68 -4.36 -0.89 -1.40 121.20 125.97 3d3i s ILE 370 Ca -0.03 -1.81 -0.15 0.00 -0.26 0.00 0.00 60.65 58.40 3d3i s ILE 370 Cb -0.11 -2.09 0.06 0.00 1.25 0.00 0.00 42.46 41.57 3d3i s ILE 370 CO -0.09 0.02 0.78 0.00 0.24 0.00 0.00 174.94 175.89 3d3i n ALA 371 N 0.68 -1.77 -0.25 2.27 0.00 -1.26 -1.00 120.51 119.18 3d3i n ALA 371 Ca -0.16 -1.22 0.03 0.00 0.00 0.00 0.00 53.44 52.09 3d3i n ALA 371 Cb 0.54 0.96 0.12 0.00 0.00 0.00 0.00 19.45 21.08 3d3i n ALA 371 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 3d3i h TRP 372 N 1.96 -0.20 -3.45 0.00 2.91 -1.78 -3.38 115.95 112.00 3d3i h TRP 372 Ca -0.32 0.06 -0.62 0.00 1.13 0.00 0.00 58.89 59.14 3d3i h TRP 372 Cb 1.20 0.21 -0.15 0.00 -0.51 0.00 0.00 29.16 29.91 3d3i h TRP 372 CO 0.00 -0.28 -0.53 -0.80 -1.03 0.00 0.00 178.44 175.80 3d3i s ASN 373 N -5.21 5.91 0.72 2.65 0.01 -1.26 -0.72 114.94 117.03 3d3i s ASN 373 Ca -0.14 0.10 -0.12 0.00 -0.71 0.00 0.00 52.86 51.98 3d3i s ASN 373 Cb 0.22 -2.05 0.03 0.00 0.41 0.00 0.00 41.25 39.86 3d3i s ASN 373 CO 0.75 0.11 1.10 -0.76 -1.51 0.00 0.00 177.10 176.78 3d3i s LEU 374 N 0.79 3.19 0.83 0.60 1.43 -1.26 -4.24 118.68 120.01 3d3i s LEU 374 Ca 0.06 1.88 -0.11 0.00 -1.03 0.00 0.00 54.13 54.93 3d3i s LEU 374 Cb -0.13 -4.53 0.09 0.00 0.03 0.00 0.00 46.19 41.65 3d3i s LEU 374 CO 0.02 -1.83 1.09 -0.94 0.23 0.00 0.00 176.35 174.92 3d3i s SER 375 N -3.08 4.09 0.50 2.29 1.04 -1.26 -0.67 113.70 116.61 3d3i s SER 375 Ca 0.63 1.51 0.16 0.00 0.48 0.00 0.00 55.95 58.73 3d3i s SER 375 Cb -0.18 -2.22 1.21 0.00 0.10 0.00 0.00 66.02 64.93 3d3i s SER 375 CO 0.50 -2.25 2.10 -0.65 0.98 0.00 0.00 173.24 173.92 3d3i h PRO 376 N -1.28 0.11 0.00 4.02 0.11 -1.71 0.50 132.00 133.75 3d3i h PRO 376 Ca -0.47 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 3d3i h PRO 376 Cb 1.26 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 3d3i h PRO 376 CO 0.55 0.07 -0.08 0.93 -0.21 0.00 0.00 178.00 179.27 3d3i h GLU 377 N 0.11 0.00 -0.36 1.05 3.07 -1.91 -2.07 114.58 114.47 3d3i h GLU 377 Ca 0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 3d3i h GLU 377 Cb 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 3d3i h GLU 377 CO -0.01 0.08 0.00 0.54 -1.40 0.00 0.00 179.01 178.22 3d3i n ARG 378 N -3.74 3.01 -0.01 2.33 1.74 0.07 -4.91 116.66 115.16 3d3i n ARG 378 Ca -0.02 -2.46 0.00 0.00 -0.77 0.00 0.00 57.85 54.60 3d3i n ARG 378 Cb 0.18 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 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 0.23 0.29 0.00 -0.13 0.00 -0.78 -4.86 105.19 99.93 3d3i n GLY 379 Ca 0.17 0.00 0.00 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 -2.00 2.72 0.37 -0.02 0.00 -0.60 -4.94 105.19 100.72 3d3i n GLY 380 Ca 0.00 -2.13 0.07 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.95 1.73 -4.74 1.61 5.75 -1.09 -2.98 116.55 114.89 3d3i n ASP 381 Ca 0.00 -3.04 -0.41 0.00 -0.01 0.00 0.00 54.79 51.33 3d3i n ASP 381 Cb 0.00 -0.41 -0.04 0.00 -1.03 0.00 0.00 41.12 39.64 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 -2.61 2.84 -0.00 6.12 0.00 0.16 -4.91 107.32 108.93 3d3i s GLY 382 Ca 0.29 0.80 0.21 0.00 0.00 0.00 0.00 44.72 46.01 3d3i s GLY 382 CO -0.01 1.65 0.87 0.61 0.00 0.00 0.00 173.10 176.22 3d3i n GLY 383 N 2.10 -0.99 0.13 0.20 0.00 -1.26 -4.25 105.19 101.12 3d3i n GLY 383 Ca 0.03 -0.59 -0.20 0.00 0.00 0.00 0.00 46.02 45.26 3d3i n GLY 383 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3d3i n ASN 384 N -1.55 2.00 -4.73 1.61 5.03 -1.26 -4.90 115.26 111.46 3d3i n ASN 384 Ca 0.03 0.22 -0.63 0.00 0.87 0.00 0.00 54.58 55.07 3d3i n ASN 384 Cb 0.34 -0.77 -0.09 0.00 -1.02 0.00 0.00 39.78 38.25 3d3i n ASN 384 CO 0.00 0.00 0.00 1.87 -1.83 0.00 0.00 177.26 177.30 3d3i n TRP 385 N -3.43 1.86 -4.33 3.10 -0.00 -1.26 -4.83 117.44 108.55 3d3i n TRP 385 Ca -0.31 0.88 -0.21 0.00 -0.00 0.00 0.00 57.50 57.86 3d3i n TRP 385 Cb 1.05 -2.33 -0.16 0.00 -0.00 0.00 0.00 31.31 29.87 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 3.16 1.16 -0.09 5.87 2.47 -0.49 -4.77 114.94 122.24 3d3i s ASN 386 Ca 1.02 -0.18 0.14 0.00 0.42 0.00 0.00 52.86 54.26 3d3i s ASN 386 Cb -1.30 -0.46 0.28 0.00 -1.45 0.00 0.00 41.25 38.32 3d3i s ASN 386 CO 0.74 0.01 1.13 -0.62 -3.72 0.00 0.00 177.10 174.65 3d3i n GLU 387 N 3.68 0.81 0.13 0.43 1.02 -1.26 -2.35 120.64 123.09 3d3i n GLU 387 Ca -0.22 -2.27 0.13 0.00 -0.02 0.00 0.00 57.16 54.78 3d3i n GLU 387 Cb 0.52 -1.00 0.42 0.00 -0.02 0.00 0.00 31.44 31.36 3d3i n GLU 387 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3d3i h ARG 388 N 0.44 0.00 -2.30 3.49 3.08 -1.93 -3.43 114.38 113.72 3d3i h ARG 388 Ca -0.04 0.00 0.21 0.00 0.07 0.00 0.00 59.98 60.22 3d3i h ARG 388 Cb 1.27 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.26 3d3i h ARG 388 CO 0.02 0.00 0.63 0.54 -1.07 0.00 0.00 179.97 180.09 3d3i s ASN 389 N -4.63 -0.04 0.00 7.04 4.22 -1.26 -1.70 114.94 118.56 3d3i s ASN 389 Ca 0.09 -0.49 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 0.55 -0.80 0.00 1.07 -2.04 0.00 0.00 177.10 175.89 3d3i n THR 390 N -0.65 0.00 -4.17 0.54 5.66 -1.26 -1.78 114.28 112.62 3d3i n THR 390 Ca -0.04 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.84 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 3.00 1.31 0.47 1.09 -0.14 -1.26 -4.07 119.74 120.14 3d3i s LYS 391 Ca 0.00 -1.59 -0.25 0.00 -1.36 0.00 0.00 55.97 52.78 3d3i s LYS 391 Cb 0.00 0.31 -0.08 0.00 -1.68 0.00 0.00 37.83 36.39 3d3i s LYS 391 CO 0.00 -0.46 1.39 -2.30 -0.76 0.00 0.00 175.35 173.22 3d3i n PRO 392 N -0.32 2.08 -3.54 -1.68 -0.02 -1.15 -4.91 135.00 125.46 3d3i n PRO 392 Ca 0.02 0.75 -0.40 0.00 -2.02 0.00 0.00 63.50 61.84 3d3i n PRO 392 Cb 0.65 -2.58 -0.11 0.00 -0.02 0.00 0.00 33.50 31.44 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 -0.57 5.96 -0.14 2.55 0.15 -1.26 -4.58 113.70 115.80 3d3i s SER 393 Ca 0.63 -0.56 0.15 0.00 0.70 0.00 0.00 55.95 56.87 3d3i s SER 393 Cb -0.45 -2.11 0.36 0.00 -1.71 0.00 0.00 66.02 62.11 3d3i s SER 393 CO 0.56 -0.27 1.18 0.18 1.20 0.00 0.00 173.24 176.08 3d3i n LEU 394 N 5.09 2.15 -0.03 3.45 4.77 -1.26 -4.82 117.00 126.35 3d3i n LEU 394 Ca -0.12 -3.19 -0.10 0.00 -0.03 0.00 0.00 56.01 52.56 3d3i n LEU 394 Cb 0.49 -0.38 -0.04 0.00 -2.33 0.00 0.00 43.42 41.16 3d3i n LEU 394 CO 0.37 1.01 0.94 0.00 -1.33 0.00 0.00 177.39 178.38 3d3i h ALA 395 N 0.68 0.21 -0.59 -1.18 0.00 -1.95 -1.36 119.26 115.08 3d3i h ALA 395 Ca -0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3d3i h ALA 395 Cb 1.17 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 3d3i h ALA 395 CO 0.02 -0.32 0.27 0.00 0.00 0.00 0.00 179.25 179.22 3d3i h ALA 396 N 1.07 0.76 -0.59 0.00 0.00 -1.93 0.02 119.26 118.59 3d3i h ALA 396 Ca 0.06 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.91 3d3i h ALA 396 Cb -0.02 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.48 3d3i h ALA 396 CO -0.02 0.33 0.25 2.35 0.00 0.00 0.00 179.25 182.16 3d3i h TRP 397 N 0.80 0.44 -0.17 0.00 7.01 -1.84 -2.65 115.95 119.54 3d3i h TRP 397 Ca 0.20 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.19 3d3i h TRP 397 Cb 0.13 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.08 3d3i h TRP 397 CO 0.00 0.15 -0.04 1.03 -2.79 0.00 0.00 178.44 176.79 3d3i h SER 398 N 0.46 0.33 0.00 2.65 0.87 -0.77 -2.29 113.55 114.80 3d3i h SER 398 Ca 0.28 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 3d3i h SER 398 Cb 0.30 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 3d3i h SER 398 CO -0.25 0.62 0.00 0.52 -0.53 0.00 0.00 176.83 177.19 3d3i n VAL 399 N -4.67 0.02 0.00 2.23 0.31 -0.05 -2.74 118.33 113.43 3d3i n VAL 399 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 3d3i n VAL 399 Cb 0.27 -0.45 0.00 0.00 -0.91 0.00 0.00 33.84 32.75 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 0.93 0.00 -0.24 5.55 4.07 -0.86 -2.49 120.64 127.60 3d3i n GLU 401 Ca 0.00 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.07 3d3i n GLU 401 Cb 0.01 0.00 0.14 0.00 -0.06 0.00 0.00 31.44 31.53 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 1.24 -0.38 6.31 2.07 -1.82 -2.28 116.25 121.39 3d3i h VAL 402 Ca 0.00 -0.70 -0.06 0.00 0.82 0.00 0.00 66.70 66.76 3d3i h VAL 402 Cb 0.00 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 3d3i h VAL 402 CO 0.00 0.29 0.02 0.22 0.02 0.00 0.00 177.57 178.12 3d3i h TYR 403 N 1.05 0.72 -0.88 1.57 3.20 -1.79 0.19 116.97 121.04 3d3i h TYR 403 Ca 0.25 -0.12 0.18 0.00 3.14 0.00 0.00 58.73 62.18 3d3i h TYR 403 Cb 0.14 -0.19 -0.07 0.00 1.54 0.00 0.00 36.73 38.16 3d3i h TYR 403 CO 0.01 0.74 0.58 -0.91 -1.64 0.00 0.00 178.16 176.94 3d3i h ASN 404 N 0.49 0.50 0.04 -2.11 2.35 -1.72 0.97 115.58 116.09 3d3i h ASN 404 Ca 0.11 0.04 -0.12 0.00 -0.55 0.00 0.00 56.30 55.78 3d3i h ASN 404 Cb 0.44 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 3d3i h ASN 404 CO 0.02 0.22 -0.62 0.58 -1.65 0.00 0.00 177.43 175.98 3d3i h VAL 405 N 0.51 1.44 0.00 2.81 2.07 -1.11 -3.40 116.25 118.57 3d3i h VAL 405 Ca 0.46 -2.34 -0.20 0.00 0.82 0.00 0.00 66.70 65.43 3d3i h VAL 405 Cb 0.97 2.99 -0.03 0.00 -1.52 0.00 0.00 31.29 33.70 3d3i h VAL 405 CO -0.19 0.57 -1.22 0.71 0.02 0.00 0.00 177.57 177.46 3d3i h THR 406 N -0.81 0.96 -2.61 2.57 1.35 -0.65 -3.48 112.91 110.25 3d3i h THR 406 Ca -0.15 -2.58 -0.41 0.00 -0.55 0.00 0.00 66.41 62.73 3d3i h THR 406 Cb 1.28 2.41 -0.05 0.00 -1.73 0.00 0.00 68.15 70.05 3d3i h THR 406 CO -0.02 0.55 -0.49 0.00 -0.25 0.00 0.00 175.52 175.31 3d3i n GLN 407 N -3.11 -1.66 -2.98 4.72 6.02 0.33 -4.92 117.38 115.78 3d3i n GLN 407 Ca -0.07 1.03 -0.44 0.00 -0.01 0.00 0.00 57.00 57.51 3d3i n GLN 407 Cb 0.90 -5.63 -0.04 0.00 1.02 0.00 0.00 30.24 26.49 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 -2.20 6.20 0.49 1.08 -1.08 -1.26 -4.92 116.67 114.98 3d3i s ASP 408 Ca 0.00 -1.06 0.22 0.00 -0.52 0.00 0.00 52.55 51.19 3d3i s ASP 408 Cb 0.00 -2.36 1.28 0.00 -1.46 0.00 0.00 42.92 40.38 3d3i s ASP 408 CO 0.00 -1.24 2.05 0.11 0.52 0.00 0.00 175.17 176.61 3d3i h LYS 409 N 9.34 0.00 0.00 4.34 1.57 -1.96 -2.03 116.57 127.83 3d3i h LYS 409 Ca -0.29 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.46 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 0.14 -0.17 1.79 -0.57 0.00 0.00 179.45 181.76 3d3i h THR 410 N 0.00 0.56 -0.27 -0.16 1.35 -1.99 -0.68 112.91 111.72 3d3i h THR 410 Ca -0.00 -0.80 -0.15 0.00 -0.55 0.00 0.00 66.41 64.91 3d3i h THR 410 Cb 0.32 1.53 -0.00 0.00 -1.73 0.00 0.00 68.15 68.27 3d3i h THR 410 CO 0.02 0.17 -0.43 -0.25 -0.25 0.00 0.00 175.52 174.78 3d3i h TRP 411 N 0.00 0.95 -0.46 4.73 2.91 -1.79 -1.49 115.95 120.81 3d3i h TRP 411 Ca -0.00 -0.32 -0.06 0.00 1.13 0.00 0.00 58.89 59.63 3d3i h TRP 411 Cb 0.52 -0.18 -0.02 0.00 -0.51 0.00 0.00 29.16 28.97 3d3i h TRP 411 CO 0.00 1.11 0.04 0.28 -1.03 0.00 0.00 178.44 178.85 3d3i h VAL 412 N 0.51 1.25 -0.75 2.65 2.07 -1.37 -2.83 116.25 117.79 3d3i h VAL 412 Ca 0.02 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 3d3i h VAL 412 Cb 1.02 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 3d3i h VAL 412 CO 0.10 0.34 0.44 0.00 0.02 0.00 0.00 177.57 178.46 3d3i h ALA 413 N 0.93 1.36 0.00 1.67 0.00 -1.07 0.40 119.26 122.56 3d3i h ALA 413 Ca 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3d3i h ALA 413 Cb 0.43 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3d3i h ALA 413 CO 0.01 0.54 0.00 -1.91 0.00 0.00 0.00 179.25 177.90 3d3i n GLU 414 N -4.38 0.34 0.00 0.00 2.13 -0.57 -4.46 120.64 113.70 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 0.08 -1.05 0.00 0.00 0.27 0.00 0.00 31.44 30.73 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 -0.55 0.00 0.22 4.31 9.36 0.13 -4.55 117.16 126.08 3d3i n TYR 416 Ca 0.01 0.00 0.07 0.00 3.32 0.00 0.00 57.90 61.30 3d3i n TYR 416 Cb 0.00 0.00 0.58 0.00 -0.63 0.00 0.00 39.34 39.29 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 0.05 -0.24 2.98 0.13 -1.85 -0.85 132.00 132.21 3d3i h PRO 417 Ca 0.00 -0.01 -0.16 0.00 -0.87 0.00 0.00 66.00 64.97 3d3i h PRO 417 Cb 0.00 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.12 3d3i h PRO 417 CO 0.00 0.09 -0.46 0.87 -0.23 0.00 0.00 178.00 178.27 3d3i h LYS 418 N 0.05 0.74 -0.52 0.86 1.57 -1.94 -2.00 116.57 115.34 3d3i h LYS 418 Ca 0.01 -0.47 -0.08 0.00 -1.87 0.00 0.00 60.65 58.24 3d3i h LYS 418 Cb 0.09 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 3d3i h LYS 418 CO 0.00 1.10 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.89 3d3i h LEU 419 N 0.48 0.85 -0.45 2.94 3.38 -1.81 -2.07 115.31 118.63 3d3i h LEU 419 Ca 0.01 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 3d3i h LEU 419 Cb 1.06 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 3d3i h LEU 419 CO 0.10 0.93 0.07 0.58 0.09 0.00 0.00 178.44 180.21 3d3i h VAL 420 N 0.81 1.25 -0.67 1.22 2.07 -1.11 -0.31 116.25 119.51 3d3i h VAL 420 Ca 0.15 -0.91 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 3d3i h VAL 420 Cb 0.51 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 3d3i h VAL 420 CO 0.03 0.32 0.29 0.00 0.02 0.00 0.00 177.57 178.22 3d3i h ALA 421 N 0.94 1.25 -0.27 1.67 0.00 -1.16 0.78 119.26 122.48 3d3i h ALA 421 Ca 0.14 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 3d3i h ALA 421 Cb 0.39 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3d3i h ALA 421 CO 0.01 0.56 -0.29 -0.92 0.00 0.00 0.00 179.25 178.61 3d3i h TYR 422 N 0.95 0.82 -0.42 0.00 3.20 -1.19 -1.60 116.97 118.73 3d3i h TYR 422 Ca 0.23 -0.25 0.03 0.00 3.14 0.00 0.00 58.73 61.88 3d3i h TYR 422 Cb 0.15 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.21 3d3i h TYR 422 CO 0.01 0.99 0.21 1.25 -1.64 0.00 0.00 178.16 178.98 3d3i h HIS 423 N 0.41 0.39 -0.25 -3.82 2.76 -0.60 -2.27 115.15 111.77 3d3i h HIS 423 Ca 0.04 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.14 3d3i h HIS 423 Cb 0.86 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.69 3d3i h HIS 423 CO 0.07 0.20 -0.21 -0.44 -1.30 0.00 0.00 177.93 176.26 3d3i h ASP 424 N 0.43 0.44 -0.71 3.26 3.32 -0.76 -2.90 116.42 119.50 3d3i h ASP 424 Ca 0.18 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 3d3i h ASP 424 Cb 0.08 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 3d3i h ASP 424 CO -0.12 0.66 0.42 -0.25 -1.72 0.00 0.00 179.24 178.23 3d3i h TRP 425 N 0.40 0.93 -0.58 4.55 7.01 -0.73 -2.07 115.95 125.47 3d3i h TRP 425 Ca 0.07 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.10 3d3i h TRP 425 Cb 0.59 -0.31 -0.04 0.00 -2.10 0.00 0.00 29.16 27.31 3d3i h TRP 425 CO 0.02 0.63 0.34 -1.49 -2.79 0.00 0.00 178.44 175.15 3d3i h TRP 426 N 0.96 0.62 0.00 2.65 4.06 -1.26 0.06 115.95 123.06 3d3i h TRP 426 Ca 0.25 0.02 -0.05 0.00 2.06 0.00 0.00 58.89 61.17 3d3i h TRP 426 Cb -0.03 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 27.93 3d3i h TRP 426 CO -0.01 0.33 -0.24 -0.07 -3.56 0.00 0.00 178.44 174.89 3d3i h LEU 427 N 0.65 0.00 0.13 -4.49 3.38 -1.42 0.86 115.31 114.42 3d3i h LEU 427 Ca 0.24 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.86 3d3i h LEU 427 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3d3i h LEU 427 CO -0.13 0.24 -1.90 0.03 0.09 0.00 0.00 178.44 176.78 3d3i h ARG 428 N 0.00 0.28 -0.01 1.13 3.08 -0.87 -3.40 114.38 114.59 3d3i h ARG 428 Ca -0.00 -0.48 0.00 0.00 0.07 0.00 0.00 59.98 59.57 3d3i h ARG 428 Cb 0.60 0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.83 3d3i h ARG 428 CO 0.03 1.23 -0.31 0.09 -1.07 0.00 0.00 179.97 179.94 3d3i n ASN 429 N -3.57 1.43 -2.51 7.04 4.13 -0.04 -4.62 115.26 117.12 3d3i n ASN 429 Ca -0.30 -1.21 -0.10 0.00 1.68 0.00 0.00 54.58 54.64 3d3i n ASN 429 Cb 1.03 0.50 0.04 0.00 -1.54 0.00 0.00 39.78 39.81 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 -0.24 2.47 -3.14 3.52 5.12 0.29 -4.59 116.66 120.09 3d3i n ARG 430 Ca 0.06 -3.78 -0.21 0.00 -1.93 0.00 0.00 57.85 51.99 3d3i n ARG 430 Cb 0.29 -1.87 -0.05 0.00 -1.16 0.00 0.00 32.46 29.66 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 -0.63 -0.49 -0.26 0.55 2.03 -1.24 -0.89 116.55 115.62 3d3i n ASP 431 Ca 0.22 -2.74 0.06 0.00 0.52 0.00 0.00 54.79 52.85 3d3i n ASP 431 Cb 0.86 -0.19 0.19 0.00 -0.72 0.00 0.00 41.12 41.27 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 4.26 0.18 -0.63 -0.67 -0.00 -1.90 -1.36 115.15 115.04 3d3i h HIS 432 Ca 0.07 0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.48 3d3i h HIS 432 Cb 0.91 0.04 0.00 0.00 -0.00 0.00 0.00 27.41 28.36 3d3i h HIS 432 CO 0.29 -0.15 0.00 0.27 -0.00 0.00 0.00 177.93 178.34 3d3i n ASN 433 N -5.23 3.54 -4.01 3.26 6.94 -1.26 -4.98 115.26 113.52 3d3i n ASN 433 Ca 0.15 -2.06 -0.31 0.00 -0.02 0.00 0.00 54.58 52.35 3d3i n ASN 433 Cb 0.49 -0.44 -0.00 0.00 -2.36 0.00 0.00 39.78 37.47 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 1.45 -0.40 1.02 4.83 0.00 -0.51 -4.88 105.19 106.68 3d3i n GLY 434 Ca 0.22 0.16 0.09 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 -2.82 3.39 0.00 1.61 6.94 -1.26 -4.95 115.26 118.16 3d3i n ASN 435 Ca -0.05 -1.97 0.00 0.00 -0.02 0.00 0.00 54.58 52.54 3d3i n ASN 435 Cb 0.56 -0.33 0.00 0.00 -2.36 0.00 0.00 39.78 37.65 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 1.17 0.81 3.18 4.83 0.00 -1.26 -5.01 105.19 108.90 3d3i n GLY 436 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.15 3.10 0.96 1.61 1.01 -1.26 -4.99 120.40 117.68 3d3i s VAL 437 Ca 0.00 -1.41 -0.11 0.00 0.00 0.00 0.00 61.98 60.46 3d3i s VAL 437 Cb 0.00 -2.81 0.17 0.00 0.00 0.00 0.00 36.38 33.74 3d3i s VAL 437 CO 0.00 -0.16 1.10 -2.84 0.00 0.00 0.00 175.10 173.20 3d3i s PRO 438 N 1.26 0.69 0.16 2.72 0.02 -1.26 -4.82 135.00 133.77 3d3i s PRO 438 Ca -0.04 1.22 0.06 0.00 0.02 0.00 0.00 61.00 62.26 3d3i s PRO 438 Cb -0.20 -1.71 -0.04 0.00 0.02 0.00 0.00 34.50 32.57 3d3i s PRO 438 CO -0.01 -2.75 -0.14 -1.21 -0.33 0.00 0.00 177.00 172.56 3d3i s GLU 439 N -4.67 1.15 0.45 5.54 8.01 -0.07 -4.21 118.70 124.90 3d3i s GLU 439 Ca 0.66 -1.40 -0.19 0.00 0.01 0.00 0.00 54.97 54.05 3d3i s GLU 439 Cb -0.22 -0.97 -0.10 0.00 -4.31 0.00 0.00 34.13 28.53 3d3i s GLU 439 CO 0.59 0.17 0.95 0.71 0.01 0.00 0.00 175.26 177.69 3d3i s TYR 440 N -2.58 3.36 0.00 1.61 2.02 -1.26 -4.81 117.35 115.69 3d3i s TYR 440 Ca 0.15 1.54 0.00 0.00 -0.37 0.00 0.00 57.07 58.39 3d3i s TYR 440 Cb -0.02 -2.81 0.00 0.00 -0.40 0.00 0.00 41.96 38.72 3d3i s TYR 440 CO 0.04 -0.19 0.00 0.41 -1.57 0.00 0.00 175.55 174.25 3d3i n GLY 441 N -0.94 2.77 3.31 0.71 0.00 -1.26 -1.65 105.19 108.14 3d3i n GLY 441 Ca 0.07 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.00 0.00 0.56 4.61 0.00 -0.90 -3.56 121.76 121.48 3d3i s ALA 442 Ca 0.00 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.12 3d3i s ALA 442 Cb 0.00 0.81 0.05 0.00 0.00 0.00 0.00 23.12 23.99 3d3i s ALA 442 CO 0.00 -0.62 0.78 0.95 0.00 0.00 0.00 175.76 176.87 3d3i s THR 443 N -3.96 2.56 0.06 0.00 -4.23 -0.69 0.25 115.64 109.64 3d3i s THR 443 Ca 0.16 -0.74 -0.30 0.00 -1.18 0.00 0.00 61.69 59.62 3d3i s THR 443 Cb 0.04 -2.82 -0.05 0.00 1.34 0.00 0.00 72.50 71.01 3d3i s THR 443 CO -0.01 0.00 1.11 -0.60 -0.54 0.00 0.00 174.62 174.58 3d3i s ARG 444 N -4.76 4.50 0.10 3.99 3.52 -1.26 -4.71 118.95 120.33 3d3i s ARG 444 Ca 0.59 1.64 -0.17 0.00 -0.13 0.00 0.00 55.73 57.66 3d3i s ARG 444 Cb -0.09 -3.37 0.04 0.00 -1.56 0.00 0.00 34.95 29.97 3d3i s ARG 444 CO 0.39 -0.14 0.42 0.34 -0.81 0.00 0.00 175.30 175.50 3d3i s ASP 445 N 0.86 -0.28 0.56 -2.12 2.15 -1.26 -4.98 116.67 111.61 3d3i s ASP 445 Ca 0.55 -0.19 0.29 0.00 0.43 0.00 0.00 52.55 53.64 3d3i s ASP 445 Cb -0.27 0.47 1.67 0.00 -0.30 0.00 0.00 42.92 44.49 3d3i s ASP 445 CO 0.30 -0.80 2.17 0.11 -0.17 0.00 0.00 175.17 176.77 3d3i h LYS 446 N 2.54 0.00 0.00 4.34 1.57 -1.95 -0.62 116.57 122.46 3d3i h LYS 446 Ca -0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 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 0.45 0.06 -0.45 0.00 -0.57 0.00 0.00 179.45 178.94 3d3i n ALA 447 N -2.29 2.85 -0.03 3.86 0.00 -1.26 -4.13 120.51 119.52 3d3i n ALA 447 Ca -0.02 -0.21 0.03 0.00 0.00 0.00 0.00 53.44 53.24 3d3i n ALA 447 Cb 0.16 -1.24 -0.14 0.00 0.00 0.00 0.00 19.45 18.23 3d3i n ALA 447 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3d3i n HIS 448 N -2.01 0.00 -3.87 0.00 8.25 -0.34 -4.69 115.22 112.56 3d3i n HIS 448 Ca 0.04 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.41 3d3i n HIS 448 Cb 0.42 -0.56 -0.05 0.00 1.12 0.00 0.00 29.99 30.92 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 -4.43 -0.11 1.07 0.41 2.20 -0.57 -1.13 114.94 112.37 3d3i s ASN 449 Ca -0.07 -0.71 -0.17 0.00 -0.94 0.00 0.00 52.86 50.97 3d3i s ASN 449 Cb 0.10 0.52 0.23 0.00 -2.00 0.00 0.00 41.25 40.10 3d3i s ASN 449 CO 0.74 -1.00 1.21 0.42 -2.94 0.00 0.00 177.10 175.53 3d3i s THR 450 N -3.93 1.82 0.33 0.54 -4.23 0.06 -4.61 115.64 105.61 3d3i s THR 450 Ca 0.14 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.67 3d3i s THR 450 Cb 0.01 -2.75 0.27 0.00 1.34 0.00 0.00 72.50 71.37 3d3i s THR 450 CO 0.00 0.00 1.96 -0.33 -0.54 0.00 0.00 174.62 175.71 3d3i h GLU 451 N -2.05 0.92 -0.00 3.99 5.08 -1.96 -1.41 114.58 119.14 3d3i h GLU 451 Ca -0.45 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 3d3i h GLU 451 Cb 1.27 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3d3i h GLU 451 CO 0.38 0.61 -0.00 -1.13 -1.00 0.00 0.00 179.01 177.87 3d3i n SER 452 N -4.45 0.13 0.00 1.42 3.41 -1.26 -4.90 113.62 107.97 3d3i n SER 452 Ca 0.10 -1.04 0.00 0.00 -0.26 0.00 0.00 58.87 57.67 3d3i n SER 452 Cb 0.12 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 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 1.02 0.78 0.00 5.00 0.00 -0.53 -5.14 105.19 106.31 3d3i n GLY 453 Ca 0.24 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.39 1.98 -3.86 1.61 1.02 -1.26 -4.78 120.64 112.96 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 -0.09 0.00 -0.02 0.00 0.00 31.44 31.33 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 1.45 -0.16 -4.62 1.43 -0.28 -0.76 118.68 115.74 3d3i s LEU 456 Ca 0.00 -0.22 -0.30 0.00 -1.03 0.00 0.00 54.13 52.58 3d3i s LEU 456 Cb 0.00 0.79 0.12 0.00 0.03 0.00 0.00 46.19 47.13 3d3i s LEU 456 CO 0.00 -0.42 0.98 0.72 0.23 0.00 0.00 176.35 177.86 3d3i s PHE 457 N -1.67 -0.39 -0.11 0.29 -0.12 -0.26 -4.27 117.98 111.45 3d3i s PHE 457 Ca -0.12 0.68 0.03 0.00 -0.05 0.00 0.00 56.93 57.46 3d3i s PHE 457 Cb -0.06 0.44 0.01 0.00 -0.63 0.00 0.00 43.02 42.78 3d3i s PHE 457 CO 0.01 -0.35 -0.20 0.99 -0.05 0.00 0.00 175.22 175.61 3d3i s THR 458 N -1.06 1.87 -0.16 -4.49 2.01 0.26 0.04 115.64 114.12 3d3i s THR 458 Ca -0.02 -0.88 -0.13 0.00 0.31 0.00 0.00 61.69 60.97 3d3i s THR 458 Cb -0.01 -1.65 -0.05 0.00 0.01 0.00 0.00 72.50 70.81 3d3i s THR 458 CO 0.02 0.51 0.27 -0.69 -0.69 0.00 0.00 174.62 174.04 3d3i s VAL 459 N 0.67 5.32 -0.12 3.82 1.01 0.14 -0.98 120.40 130.26 3d3i s VAL 459 Ca -0.12 0.49 0.02 0.00 0.00 0.00 0.00 61.98 62.37 3d3i s VAL 459 Cb -0.16 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 3d3i s VAL 459 CO 0.02 0.42 -0.18 -0.75 0.00 0.00 0.00 175.10 174.61 3d3i s LYS 460 N 0.30 3.22 -0.20 2.72 2.47 -0.44 -1.57 119.74 126.23 3d3i s LYS 460 Ca 0.15 -0.78 -0.04 0.00 -1.56 0.00 0.00 55.97 53.74 3d3i s LYS 460 Cb -0.13 -2.48 0.09 0.00 -1.46 0.00 0.00 37.83 33.85 3d3i s LYS 460 CO 0.03 0.18 0.19 0.21 0.16 0.00 0.00 175.35 176.12 3d3i s LYS 461 N 0.39 0.16 6.75 4.03 2.47 -0.66 -0.19 119.74 132.69 3d3i s LYS 461 Ca -0.14 0.08 0.00 0.00 -1.56 0.00 0.00 55.97 54.35 3d3i s LYS 461 Cb -0.17 -1.35 0.00 0.00 -1.46 0.00 0.00 37.83 34.85 3d3i s LYS 461 CO 0.07 -0.69 0.00 0.41 0.16 0.00 0.00 175.35 175.29 3d3i n GLY 462 N 5.31 2.24 0.45 5.54 0.00 -1.26 -1.16 105.19 116.31 3d3i n GLY 462 Ca -0.06 0.05 0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 10.38 2.54 -4.74 1.61 8.00 -1.26 -4.99 116.55 128.09 3d3i n ASP 463 Ca 0.00 -1.91 -0.37 0.00 0.71 0.00 0.00 54.79 53.21 3d3i n ASP 463 Cb 0.00 -0.15 -0.06 0.00 -0.02 0.00 0.00 41.12 40.89 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 -0.96 4.24 -0.18 -1.24 -0.14 -0.31 -5.07 119.74 116.09 3d3i s LYS 464 Ca 0.16 0.32 -0.00 0.00 -1.36 0.00 0.00 55.97 55.09 3d3i s LYS 464 Cb 0.09 -3.40 0.04 0.00 -1.68 0.00 0.00 37.83 32.88 3d3i s LYS 464 CO 0.11 0.27 -0.06 -1.21 -0.76 0.00 0.00 175.35 173.71 3d3i s GLU 465 N 0.29 1.51 -0.19 1.68 2.02 -1.26 -1.66 118.70 121.09 3d3i s GLU 465 Ca 0.22 -0.62 0.01 0.00 0.02 0.00 0.00 54.97 54.60 3d3i s GLU 465 Cb -0.15 -2.15 0.02 0.00 0.10 0.00 0.00 34.13 31.96 3d3i s GLU 465 CO 0.08 -0.46 -0.18 -2.00 0.02 0.00 0.00 175.26 172.72 3d3i s GLU 466 N 1.58 2.94 -0.07 1.61 2.12 -0.61 -4.97 118.70 121.30 3d3i s GLU 466 Ca -0.01 -0.87 -0.18 0.00 0.36 0.00 0.00 54.97 54.27 3d3i s GLU 466 Cb -0.16 -2.63 -0.05 0.00 0.26 0.00 0.00 34.13 31.56 3d3i s GLU 466 CO -0.08 -0.25 0.50 0.95 -0.54 0.00 0.00 175.26 175.85 3d3i s THR 467 N 1.28 5.09 0.30 -1.70 -4.23 -1.26 -0.69 115.64 114.44 3d3i s THR 467 Ca 0.04 1.02 0.03 0.00 -1.18 0.00 0.00 61.69 61.59 3d3i s THR 467 Cb -0.14 -3.83 -0.04 0.00 1.34 0.00 0.00 72.50 69.83 3d3i s THR 467 CO -0.12 0.39 0.16 -1.10 -0.54 0.00 0.00 174.62 173.41 3d3i s GLN 468 N 0.17 1.58 0.05 3.99 -0.21 0.11 -4.99 119.66 120.35 3d3i s GLN 468 Ca 0.27 -1.90 -0.08 0.00 0.02 0.00 0.00 55.36 53.67 3d3i s GLN 468 Cb -0.16 -0.09 -0.00 0.00 1.00 0.00 0.00 33.01 33.76 3d3i s GLN 468 CO 0.13 -0.45 0.16 -1.54 -2.12 0.00 0.00 175.29 171.47 3d3i s SER 469 N -3.37 0.09 0.00 5.90 1.04 -1.26 -1.10 113.70 115.01 3d3i s SER 469 Ca 0.36 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.33 3d3i s SER 469 Cb 0.05 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.45 3d3i s SER 469 CO 0.17 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.44 3d3i n GLY 470 N 0.60 2.54 0.36 7.32 0.00 -1.26 -4.66 105.19 110.09 3d3i n GLY 470 Ca -0.18 -1.25 0.04 0.00 0.00 0.00 0.00 46.02 44.62 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 0.82 -0.38 0.99 5.85 -1.95 -1.83 115.31 118.81 3d3i h LEU 471 Ca 0.00 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3d3i h LEU 471 Cb 0.00 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 3d3i h LEU 471 CO 0.00 0.55 0.22 0.78 -0.34 0.00 0.00 178.44 179.65 3d3i h ASN 472 N 0.94 0.46 -0.74 1.25 2.35 -2.00 -0.55 115.58 117.29 3d3i h ASN 472 Ca 0.33 -0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 55.96 3d3i h ASN 472 Cb 0.12 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 3d3i h ASN 472 CO -0.10 0.39 0.27 0.78 -1.65 0.00 0.00 177.43 177.12 3d3i h ASN 473 N 0.49 1.05 -0.31 5.81 2.35 -1.70 -2.25 115.58 121.01 3d3i h ASN 473 Ca 0.13 -0.19 0.04 0.00 -0.55 0.00 0.00 56.30 55.74 3d3i h ASN 473 Cb 0.02 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.08 3d3i h ASN 473 CO -0.02 0.95 0.09 0.22 -1.65 0.00 0.00 177.43 177.02 3d3i h TYR 474 N 1.08 0.16 -0.70 1.19 3.20 -0.89 -0.89 116.97 120.12 3d3i h TYR 474 Ca 0.24 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.20 3d3i h TYR 474 Cb 0.25 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.43 3d3i h TYR 474 CO 0.02 0.06 0.38 0.00 -1.64 0.00 0.00 178.16 176.98 3d3i h ALA 475 N 1.21 0.94 -0.41 1.82 0.00 -0.72 -0.49 119.26 121.62 3d3i h ALA 475 Ca 0.14 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3d3i h ALA 475 Cb 0.13 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3d3i h ALA 475 CO -0.16 0.03 0.17 0.07 0.00 0.00 0.00 179.25 179.35 3d3i h ARG 476 N 0.67 0.61 -0.17 0.00 -0.00 -0.83 -1.97 114.38 112.69 3d3i h ARG 476 Ca 0.32 -0.11 -0.00 0.00 -0.00 0.00 0.00 59.98 60.19 3d3i h ARG 476 Cb 0.25 -0.10 -0.01 0.00 -0.00 0.00 0.00 29.97 30.11 3d3i h ARG 476 CO -0.21 0.56 0.09 0.28 -0.00 0.00 0.00 179.97 180.69 3d3i h VAL 477 N 0.52 1.12 -0.47 0.08 2.07 -0.54 -2.72 116.25 116.30 3d3i h VAL 477 Ca 0.14 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3d3i h VAL 477 Cb 0.18 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 3d3i h VAL 477 CO -0.01 0.11 0.25 0.58 0.02 0.00 0.00 177.57 178.52 3d3i h VAL 478 N 0.16 1.15 0.33 2.57 2.07 -1.04 -1.64 116.25 119.85 3d3i h VAL 478 Ca 0.06 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 3d3i h VAL 478 Cb 0.09 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3d3i h VAL 478 CO -0.01 0.17 -0.16 -0.08 0.02 0.00 0.00 177.57 177.51 3d3i h GLU 479 N 0.66 -0.42 -0.48 1.57 4.81 -1.06 -3.05 114.58 116.60 3d3i h GLU 479 Ca 0.17 0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.35 3d3i h GLU 479 Cb 0.03 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 3d3i h GLU 479 CO -0.03 -0.25 -0.03 0.87 -0.73 0.00 0.00 179.01 178.84 3d3i h LYS 480 N -0.49 0.82 -1.60 1.92 1.57 -1.31 -3.46 116.57 114.02 3d3i h LYS 480 Ca -0.05 -0.24 -0.39 0.00 -1.87 0.00 0.00 60.65 58.10 3d3i h LYS 480 Cb 0.37 -0.09 -0.11 0.00 0.08 0.00 0.00 32.23 32.49 3d3i h LYS 480 CO 0.07 0.84 -0.41 0.41 -0.57 0.00 0.00 179.45 179.80 3d3i n GLY 481 N -0.56 1.04 2.87 3.86 0.00 -0.63 -4.89 105.19 106.87 3d3i n GLY 481 Ca 0.02 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.59 3.84 -3.46 1.61 6.02 -1.26 -4.89 117.38 116.65 3d3i n GLN 482 Ca -0.21 -3.72 -0.13 0.00 -0.01 0.00 0.00 57.00 52.93 3d3i n GLN 482 Cb 0.65 -2.83 -0.03 0.00 1.02 0.00 0.00 30.24 29.05 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 -0.32 -0.54 0.04 1.08 -0.85 -1.26 -4.95 117.35 110.55 3d3i s TYR 483 Ca 0.39 0.54 -0.03 0.00 -0.52 0.00 0.00 57.07 57.44 3d3i s TYR 483 Cb 0.09 0.51 -0.28 0.00 0.38 0.00 0.00 41.96 42.67 3d3i s TYR 483 CO 0.02 -0.73 1.01 -0.44 -1.52 0.00 0.00 175.55 173.89 3d3i h ASP 484 N 2.28 0.39 -5.01 -0.18 3.32 -0.92 -3.48 116.42 112.83 3d3i h ASP 484 Ca -0.30 -0.47 -0.03 0.00 0.02 0.00 0.00 57.03 56.24 3d3i h ASP 484 Cb 1.25 -0.13 -0.14 0.00 0.22 0.00 0.00 39.33 40.54 3d3i h ASP 484 CO 0.37 1.38 0.17 -0.94 -1.72 0.00 0.00 179.24 178.50 3d3i s SER 485 N -7.05 -0.55 -0.15 6.45 1.04 -1.02 -5.04 113.70 107.39 3d3i s SER 485 Ca -0.06 0.11 -0.01 0.00 0.48 0.00 0.00 55.95 56.47 3d3i s SER 485 Cb 0.07 0.57 0.04 0.00 0.10 0.00 0.00 66.02 66.80 3d3i s SER 485 CO 0.87 -0.88 -0.05 -0.22 0.98 0.00 0.00 173.24 173.94 3d3i s LEU 486 N -2.42 1.41 -0.35 2.42 2.96 -1.26 -1.33 118.68 120.11 3d3i s LEU 486 Ca -0.01 -0.53 -0.12 0.00 -0.22 0.00 0.00 54.13 53.25 3d3i s LEU 486 Cb -0.01 -0.86 0.01 0.00 0.50 0.00 0.00 46.19 45.83 3d3i s LEU 486 CO -0.08 -0.17 0.21 -1.61 -1.32 0.00 0.00 176.35 173.38 3d3i s GLU 487 N 1.68 3.15 -0.30 1.98 2.02 -0.16 -4.97 118.70 122.10 3d3i s GLU 487 Ca 0.02 -0.87 0.01 0.00 0.02 0.00 0.00 54.97 54.16 3d3i s GLU 487 Cb -0.14 -3.73 0.07 0.00 0.10 0.00 0.00 34.13 30.42 3d3i s GLU 487 CO -0.08 -0.57 -0.03 0.42 0.02 0.00 0.00 175.26 175.03 3d3i s ILE 488 N 1.63 2.49 0.31 -1.63 1.09 -1.26 -0.57 121.20 123.26 3d3i s ILE 488 Ca 0.04 -1.74 0.07 0.00 -1.10 0.00 0.00 60.65 57.92 3d3i s ILE 488 Cb -0.18 -2.55 0.31 0.00 -1.06 0.00 0.00 42.46 38.98 3d3i s ILE 488 CO 0.08 -0.21 1.68 -0.65 -0.10 0.00 0.00 174.94 175.73 3d3i h PRO 489 N 7.82 0.34 -0.62 2.79 0.11 -1.84 0.62 132.00 141.22 3d3i h PRO 489 Ca -0.16 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.87 3d3i h PRO 489 Cb 1.04 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.05 3d3i h PRO 489 CO 0.51 0.23 0.15 0.00 -0.21 0.00 0.00 178.00 178.68 3d3i h ALA 490 N 1.77 0.82 0.00 -0.75 0.00 -1.84 -1.38 119.26 117.88 3d3i h ALA 490 Ca 0.62 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 55.20 3d3i h ALA 490 Cb 1.28 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3d3i h ALA 490 CO -0.58 0.53 -0.47 0.37 0.00 0.00 0.00 179.25 179.10 3d3i h GLN 491 N 0.91 0.00 -0.44 0.00 4.15 -1.35 -1.31 115.11 117.07 3d3i h GLN 491 Ca 0.20 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.54 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 0.47 -0.03 0.28 -1.93 0.00 0.00 178.83 177.62 3d3i h VAL 492 N 0.00 1.27 -0.23 2.39 2.07 -0.74 -2.13 116.25 118.87 3d3i h VAL 492 Ca -0.00 -1.09 -0.04 0.00 0.82 0.00 0.00 66.70 66.38 3d3i h VAL 492 Cb 0.92 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 3d3i h VAL 492 CO 0.06 0.37 -0.04 0.00 0.02 0.00 0.00 177.57 177.99 3d3i h ALA 493 N 0.89 1.51 -0.36 1.67 0.00 -0.81 -1.63 119.26 120.53 3d3i h ALA 493 Ca 0.12 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 3d3i h ALA 493 Cb 0.54 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3d3i h ALA 493 CO 0.03 0.35 -0.13 0.00 0.00 0.00 0.00 179.25 179.50 3d3i h ALA 494 N 1.63 1.10 -0.30 0.00 0.00 -0.83 0.42 119.26 121.29 3d3i h ALA 494 Ca 0.07 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 3d3i h ALA 494 Cb 0.29 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3d3i h ALA 494 CO 0.01 0.56 -0.17 0.66 0.00 0.00 0.00 179.25 180.31 3d3i h SER 495 N 0.57 0.52 -0.33 0.00 4.64 -0.67 -1.51 113.55 116.77 3d3i h SER 495 Ca 0.10 -0.15 -0.13 0.00 -0.47 0.00 0.00 61.79 61.14 3d3i h SER 495 Cb 0.56 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 3d3i h SER 495 CO 0.04 0.71 -0.28 -0.50 -0.87 0.00 0.00 176.83 175.93 3d3i h TRP 496 N 0.48 0.97 0.00 4.77 6.55 -0.82 -2.78 115.95 125.12 3d3i h TRP 496 Ca 0.08 -0.25 -0.04 0.00 0.95 0.00 0.00 58.89 59.64 3d3i h TRP 496 Cb 0.57 -0.22 -0.01 0.00 -0.86 0.00 0.00 29.16 28.64 3d3i h TRP 496 CO 0.02 1.02 -0.19 1.49 -1.05 0.00 0.00 178.44 179.73 3d3i h GLU 497 N 0.72 0.00 0.00 0.49 4.81 -0.23 -1.78 114.58 118.59 3d3i h GLU 497 Ca 0.09 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3d3i h GLU 497 Cb 0.82 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.20 3d3i h GLU 497 CO 0.07 0.19 -0.01 0.66 -0.73 0.00 0.00 179.01 179.19 3d3i h SER 498 N 0.00 0.00 0.00 1.04 4.64 -1.01 -3.04 113.55 115.17 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 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3d3i h SER 498 CO 0.02 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 3d3i n GLY 499 N 0.38 1.49 2.30 -0.77 0.00 -0.67 -4.73 105.19 103.18 3d3i n GLY 499 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 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 0.62 0.00 1.61 1.74 -1.24 -5.00 116.66 112.38 3d3i n ARG 500 Ca 0.00 -3.30 0.02 0.00 -0.77 0.00 0.00 57.85 53.80 3d3i n ARG 500 Cb 0.00 -1.46 0.11 0.00 -1.02 0.00 0.00 32.46 30.09 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 1.94 0.00 -0.03 0.55 5.68 -1.20 -2.36 116.55 121.13 3d3i n ASP 501 Ca 0.25 -0.34 0.00 0.00 -0.50 0.00 0.00 54.79 54.20 3d3i n ASP 501 Cb 0.50 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 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 -0.76 0.51 -4.77 -1.12 2.03 -1.26 -4.95 116.55 106.23 3d3i n ASP 502 Ca 0.03 -1.33 -0.40 0.00 0.52 0.00 0.00 54.79 53.61 3d3i n ASP 502 Cb 0.01 -0.02 -0.00 0.00 -0.72 0.00 0.00 41.12 40.39 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 -0.29 3.28 0.29 -1.67 0.00 -0.99 -4.58 121.76 117.78 3d3i s ALA 503 Ca 0.01 1.26 -0.02 0.00 0.00 0.00 0.00 51.96 53.21 3d3i s ALA 503 Cb 0.01 -3.50 0.42 0.00 0.00 0.00 0.00 23.12 20.05 3d3i s ALA 503 CO 0.00 -0.85 1.94 0.00 0.00 0.00 0.00 175.76 176.85 3d3i h ALA 504 N 2.69 1.40 -0.03 0.00 0.00 -1.75 -2.29 119.26 119.28 3d3i h ALA 504 Ca -0.50 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.37 3d3i h ALA 504 Cb 1.25 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 3d3i h ALA 504 CO 0.63 0.53 0.04 -0.24 0.00 0.00 0.00 179.25 180.20 3d3i h VAL 505 N 1.16 0.41 -0.48 0.00 3.04 -1.88 -0.93 116.25 117.58 3d3i h VAL 505 Ca 0.34 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 66.03 3d3i h VAL 505 Cb -0.05 0.97 -0.00 0.00 -2.01 0.00 0.00 31.29 30.20 3d3i h VAL 505 CO -0.09 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 176.96 3d3i n PHE 506 N -3.68 1.74 -0.51 3.17 3.72 -0.87 -4.90 117.46 116.13 3d3i n PHE 506 Ca -0.02 -0.61 0.00 0.00 -0.05 0.00 0.00 57.45 56.77 3d3i n PHE 506 Cb 0.12 -0.45 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 0.50 0.75 3.61 1.37 0.00 -0.35 -4.80 105.19 106.27 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 -2.66 3.17 -0.24 1.61 0.08 -1.19 -4.88 117.98 113.87 3d3i s PHE 508 Ca 0.00 0.80 -0.21 0.00 0.12 0.00 0.00 56.93 57.64 3d3i s PHE 508 Cb 0.00 -3.32 0.06 0.00 -0.57 0.00 0.00 43.02 39.19 3d3i s PHE 508 CO 0.00 -0.63 0.63 -1.50 -0.10 0.00 0.00 175.22 173.62 3d3i s ILE 509 N 3.08 -0.00 0.60 0.64 2.07 -1.26 -3.99 121.20 122.34 3d3i s ILE 509 Ca 0.34 0.00 -0.09 0.00 -1.41 0.00 0.00 60.65 59.49 3d3i s ILE 509 Cb -0.14 -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 0.97 1.51 -1.91 0.00 0.00 174.94 175.65 3d3i s ASP 510 N 0.52 5.95 0.19 4.50 1.47 -1.26 -4.81 116.67 123.22 3d3i s ASP 510 Ca -0.02 1.12 -0.20 0.00 1.18 0.00 0.00 52.55 54.64 3d3i s ASP 510 Cb -0.05 -2.16 0.13 0.00 -0.34 0.00 0.00 42.92 40.50 3d3i s ASP 510 CO -0.02 -0.95 1.60 0.11 0.68 0.00 0.00 175.17 176.59 3d3i h LYS 511 N -0.25 -0.15 -0.42 2.11 1.57 -2.02 0.99 116.57 118.41 3d3i h LYS 511 Ca -0.45 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.42 3d3i h LYS 511 Cb 1.22 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 33.49 3d3i h LYS 511 CO 0.62 -0.10 -0.03 0.93 -0.57 0.00 0.00 179.45 180.30 3d3i h GLU 512 N -0.15 0.07 -0.53 3.15 3.07 -2.00 0.10 114.58 118.29 3d3i h GLU 512 Ca 0.23 -0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.99 3d3i h GLU 512 Cb 0.53 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.41 3d3i h GLU 512 CO -0.63 0.04 -0.04 1.96 -1.40 0.00 0.00 179.01 178.94 3d3i h GLN 513 N 0.07 0.96 -0.30 2.33 4.20 -1.66 -2.64 115.11 118.08 3d3i h GLN 513 Ca 0.20 -0.33 -0.09 0.00 0.06 0.00 0.00 58.65 58.50 3d3i h GLN 513 Cb 0.30 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 3d3i h GLN 513 CO -0.37 1.00 -0.19 1.25 -0.67 0.00 0.00 178.83 179.84 3d3i h LEU 514 N 0.84 0.54 -0.42 1.46 5.85 -0.24 -1.07 115.31 122.26 3d3i h LEU 514 Ca 0.14 -0.17 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 3d3i h LEU 514 Cb 0.59 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 3d3i h LEU 514 CO 0.04 0.75 -0.00 0.44 -0.34 0.00 0.00 178.44 179.32 3d3i h ASP 515 N 0.49 0.73 -0.71 1.25 3.32 -0.71 -1.76 116.42 119.04 3d3i h ASP 515 Ca 0.08 -0.31 -0.06 0.00 0.02 0.00 0.00 57.03 56.76 3d3i h ASP 515 Cb 0.61 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 3d3i h ASP 515 CO 0.04 0.86 0.23 0.50 -1.72 0.00 0.00 179.24 179.15 3d3i h LYS 516 N 0.58 1.11 -0.20 3.56 3.64 -1.25 -0.54 116.57 123.48 3d3i h LYS 516 Ca 0.12 -0.23 0.01 0.00 -1.27 0.00 0.00 60.65 59.28 3d3i h LYS 516 Cb 0.49 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 3d3i h LYS 516 CO 0.02 0.94 0.11 -0.92 -2.27 0.00 0.00 179.45 177.34 3d3i h TYR 517 N 1.07 0.21 -0.22 1.91 3.20 -0.95 -1.50 116.97 120.68 3d3i h TYR 517 Ca 0.23 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.04 3d3i h TYR 517 Cb 0.30 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 3d3i h TYR 517 CO 0.02 0.12 -0.19 0.28 -1.64 0.00 0.00 178.16 176.76 3d3i h VAL 518 N 0.23 1.24 0.00 1.81 2.07 -1.09 -2.07 116.25 118.45 3d3i h VAL 518 Ca 0.08 -1.08 -0.04 0.00 0.82 0.00 0.00 66.70 66.48 3d3i h VAL 518 Cb 0.00 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 3d3i h VAL 518 CO -0.04 0.34 -0.17 0.00 0.02 0.00 0.00 177.57 177.72 3d3i h ALA 519 N 1.45 1.18 -0.04 1.67 0.00 -0.49 -2.27 119.26 120.76 3d3i h ALA 519 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3d3i h ALA 519 Cb 0.54 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3d3i h ALA 519 CO 0.04 0.21 0.00 0.09 0.00 0.00 0.00 179.25 179.59 3d3i n ASN 520 N -3.55 1.42 0.00 0.00 3.02 -0.62 -4.90 115.26 110.63 3d3i n ASN 520 Ca -0.01 -1.51 0.00 0.00 -0.03 0.00 0.00 54.58 53.03 3d3i n ASN 520 Cb 0.31 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.47 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 1.15 1.25 3.92 7.41 0.00 -0.85 -5.10 105.19 112.98 3d3i n GLY 521 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.64 1.67 -0.04 -0.02 0.00 -0.83 -4.99 107.32 101.47 3d3i s GLY 522 Ca 0.00 -0.92 0.06 0.00 0.00 0.00 0.00 44.72 43.85 3d3i s GLY 522 CO 0.00 -0.42 -0.21 0.54 0.00 0.00 0.00 173.10 173.01 3d3i s LYS 523 N -5.46 2.41 0.59 2.90 1.02 -1.26 -4.19 119.74 115.75 3d3i s LYS 523 Ca 0.63 -0.82 0.29 0.00 0.02 0.00 0.00 55.97 56.09 3d3i s LYS 523 Cb -0.09 -2.22 1.74 0.00 -0.52 0.00 0.00 37.83 36.73 3d3i s LYS 523 CO 0.47 0.53 2.19 0.07 -0.92 0.00 0.00 175.35 177.69 3d3i h ARG 524 N 5.60 0.00 0.00 1.68 0.11 -1.96 0.17 114.38 119.98 3d3i h ARG 524 Ca -0.41 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.67 3d3i h ARG 524 Cb 1.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.23 3d3i h ARG 524 CO 0.49 0.00 0.00 0.66 0.10 0.00 0.00 179.97 181.22 3d3i h SER 525 N 0.00 0.00 0.38 0.08 4.64 -1.98 -2.30 113.55 114.37 3d3i h SER 525 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3d3i h SER 525 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3d3i h SER 525 CO -0.00 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 176.40 3d3i h ASP 526 N 0.00 0.00 -0.36 4.97 3.32 -1.37 -1.93 116.42 121.05 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 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3d3i h ASP 526 CO 0.00 0.00 0.00 0.79 -1.72 0.00 0.00 179.24 178.31 3d3i n TRP 527 N -2.78 0.46 -2.96 4.55 7.02 -0.86 -4.91 117.44 117.95 3d3i n TRP 527 Ca -0.01 -0.26 -0.42 0.00 -1.02 0.00 0.00 57.50 55.80 3d3i n TRP 527 Cb 0.15 -0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 28.99 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 -1.39 4.84 -0.40 -0.99 2.01 -0.73 -4.35 115.64 114.63 3d3i s THR 528 Ca 0.36 1.25 -0.15 0.00 0.31 0.00 0.00 61.69 63.46 3d3i s THR 528 Cb 0.21 -4.10 0.01 0.00 0.01 0.00 0.00 72.50 68.63 3d3i s THR 528 CO 0.29 -0.16 0.33 -0.69 -0.69 0.00 0.00 174.62 173.70 3d3i s VAL 529 N 2.84 5.22 0.69 3.82 1.01 -1.26 -5.05 120.40 127.67 3d3i s VAL 529 Ca 0.32 -0.51 -0.13 0.00 0.00 0.00 0.00 61.98 61.65 3d3i s VAL 529 Cb -0.15 -3.93 0.02 0.00 0.00 0.00 0.00 36.38 32.33 3d3i s VAL 529 CO 0.11 -0.29 1.10 -0.54 0.00 0.00 0.00 175.10 175.48 3d3i s LYS 530 N 1.80 2.64 0.10 2.72 1.02 -1.26 -4.90 119.74 121.86 3d3i s LYS 530 Ca 0.07 1.31 0.08 0.00 0.02 0.00 0.00 55.97 57.44 3d3i s LYS 530 Cb -0.18 -1.94 -0.03 0.00 -0.52 0.00 0.00 37.83 35.16 3d3i s LYS 530 CO 0.11 -1.36 -0.20 0.12 -0.92 0.00 0.00 175.35 173.10 3d3i s PHE 531 N -2.54 1.72 0.08 3.18 5.36 -1.26 -1.03 117.98 123.49 3d3i s PHE 531 Ca 0.65 -0.42 -0.06 0.00 -0.96 0.00 0.00 56.93 56.14 3d3i s PHE 531 Cb -0.19 -0.94 -0.02 0.00 -0.34 0.00 0.00 43.02 41.53 3d3i s PHE 531 CO 0.46 0.18 0.12 0.00 -1.46 0.00 0.00 175.22 174.52 3d3i s ALA 532 N -1.17 0.06 0.06 11.12 0.00 -0.39 -4.86 121.76 126.58 3d3i s ALA 532 Ca 0.05 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.17 3d3i s ALA 532 Cb -0.10 0.44 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 3d3i s ALA 532 CO 0.04 -0.47 0.17 -1.83 0.00 0.00 0.00 175.76 173.68 3d3i s GLU 533 N -3.89 3.30 -0.26 0.00 -1.05 -1.26 -0.82 118.70 114.72 3d3i s GLU 533 Ca 0.07 -0.50 -0.04 0.00 -0.15 0.00 0.00 54.97 54.35 3d3i s GLU 533 Cb 0.06 -2.96 0.02 0.00 -0.44 0.00 0.00 34.13 30.80 3d3i s GLU 533 CO -0.10 0.60 -0.01 -0.80 0.95 0.00 0.00 175.26 175.90 3d3i s ASN 534 N -2.45 4.61 0.07 0.83 0.01 0.10 -4.86 114.94 113.25 3d3i s ASN 534 Ca 0.33 -0.76 0.09 0.00 -0.71 0.00 0.00 52.86 51.81 3d3i s ASN 534 Cb -0.13 -1.75 -0.03 0.00 0.41 0.00 0.00 41.25 39.75 3d3i s ASN 534 CO 0.26 -0.14 -0.25 -0.13 -1.51 0.00 0.00 177.10 175.33 3d3i s ARG 535 N 1.40 1.57 0.97 -0.60 0.52 -1.26 0.49 118.95 122.05 3d3i s ARG 535 Ca 0.02 -1.13 -0.13 0.00 -0.52 0.00 0.00 55.73 53.96 3d3i s ARG 535 Cb -0.17 -1.82 0.17 0.00 0.52 0.00 0.00 34.95 33.66 3d3i s ARG 535 CO -0.02 0.46 1.13 -1.54 0.02 0.00 0.00 175.30 175.35 3d3i s SER 536 N -1.46 2.95 0.50 0.23 1.04 0.25 -4.83 113.70 112.38 3d3i s SER 536 Ca 0.11 0.95 0.30 0.00 0.48 0.00 0.00 55.95 57.79 3d3i s SER 536 Cb -0.10 -1.49 1.63 0.00 0.10 0.00 0.00 66.02 66.16 3d3i s SER 536 CO 0.03 -2.90 1.90 -0.61 0.98 0.00 0.00 173.24 172.64 3d3i h GLN 537 N -1.74 0.00 -0.15 4.02 5.75 -2.01 0.11 115.11 121.09 3d3i h GLN 537 Ca -0.51 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 57.99 3d3i h GLN 537 Cb 1.32 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.87 3d3i h GLN 537 CO 0.57 0.00 0.00 -0.40 -2.65 0.00 0.00 178.83 176.35 3d3i n ASP 538 N -2.62 2.92 0.00 -0.69 5.68 -1.26 -4.95 116.55 115.63 3d3i n ASP 538 Ca -0.02 -1.93 0.00 0.00 -0.50 0.00 0.00 54.79 52.34 3d3i n ASP 538 Cb 0.15 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 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 1.37 0.66 3.71 6.12 0.00 0.38 -5.05 105.19 112.38 3d3i n GLY 539 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.50 3.37 -0.23 2.61 2.01 -1.26 -4.70 115.64 114.94 3d3i s THR 540 Ca 0.00 0.97 -0.29 0.00 0.31 0.00 0.00 61.69 62.68 3d3i s THR 540 Cb 0.00 -3.62 -0.02 0.00 0.01 0.00 0.00 72.50 68.87 3d3i s THR 540 CO 0.00 0.07 1.48 -0.22 -0.69 0.00 0.00 174.62 175.27 3d3i s LEU 541 N 1.17 3.96 -0.09 4.42 2.96 -1.26 -0.58 118.68 129.25 3d3i s LEU 541 Ca 0.64 1.55 0.16 0.00 -0.22 0.00 0.00 54.13 56.26 3d3i s LEU 541 Cb -0.36 -3.54 -0.23 0.00 0.50 0.00 0.00 46.19 42.56 3d3i s LEU 541 CO 0.30 -1.12 0.43 0.18 -1.32 0.00 0.00 176.35 174.81 3d3i n LEU 542 N 7.89 0.45 0.00 -0.68 4.77 0.18 -4.87 117.00 124.73 3d3i n LEU 542 Ca 0.17 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 3d3i n LEU 542 Cb 0.45 0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 3d3i n LEU 542 CO 0.63 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.67 3d3i n GLY 543 N 1.59 -0.49 3.12 -0.72 0.00 -1.04 -4.24 105.19 103.41 3d3i n GLY 543 Ca -0.22 -0.72 -0.08 0.00 0.00 0.00 0.00 46.02 45.00 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 -4.00 0.56 -0.02 1.61 2.02 0.14 -0.72 117.35 116.94 3d3i s TYR 544 Ca 0.00 -1.05 -0.07 0.00 -0.37 0.00 0.00 57.07 55.58 3d3i s TYR 544 Cb 0.00 -0.37 0.01 0.00 -0.40 0.00 0.00 41.96 41.20 3d3i s TYR 544 CO 0.00 -0.44 0.15 -1.12 -1.57 0.00 0.00 175.55 172.57 3d3i s SER 545 N -2.95 -0.05 0.36 2.29 0.01 0.00 -2.11 113.70 111.25 3d3i s SER 545 Ca 0.11 0.02 -0.26 0.00 1.31 0.00 0.00 55.95 57.13 3d3i s SER 545 Cb 0.07 0.26 -0.09 0.00 0.21 0.00 0.00 66.02 66.47 3d3i s SER 545 CO -0.07 -0.24 1.10 -0.76 0.41 0.00 0.00 173.24 173.69 3d3i s LEU 546 N -0.77 4.30 -1.49 2.44 1.43 -0.66 -1.26 118.68 122.67 3d3i s LEU 546 Ca -0.09 2.21 -0.09 0.00 -1.03 0.00 0.00 54.13 55.13 3d3i s LEU 546 Cb -0.05 -3.94 0.01 0.00 0.03 0.00 0.00 46.19 42.23 3d3i s LEU 546 CO 0.01 -0.42 2.61 0.18 0.23 0.00 0.00 176.35 178.96 3d3i n LEU 547 N 0.41 8.13 -3.64 1.79 4.77 -0.20 -4.72 117.00 123.55 3d3i n LEU 547 Ca 0.03 -4.50 -0.09 0.00 -0.03 0.00 0.00 56.01 51.42 3d3i n LEU 547 Cb 0.47 -1.51 -0.07 0.00 -2.33 0.00 0.00 43.42 39.98 3d3i n LEU 547 CO 0.50 1.87 0.48 -1.58 -1.33 0.00 0.00 177.39 177.34 3d3i s GLN 548 N 1.29 0.68 -0.23 3.23 0.74 -1.26 -1.44 119.66 122.66 3d3i s GLN 548 Ca 0.60 0.97 -0.07 0.00 0.05 0.00 0.00 55.36 56.90 3d3i s GLN 548 Cb 0.17 0.24 -0.03 0.00 1.10 0.00 0.00 33.01 34.49 3d3i s GLN 548 CO -0.07 -0.11 0.06 -1.21 -0.55 0.00 0.00 175.29 173.42 3d3i s GLU 549 N 0.92 3.72 0.04 1.67 2.02 0.23 -4.44 118.70 122.87 3d3i s GLU 549 Ca -0.04 -0.45 -0.24 0.00 0.02 0.00 0.00 54.97 54.26 3d3i s GLU 549 Cb -0.05 -3.28 -0.06 0.00 0.10 0.00 0.00 34.13 30.85 3d3i s GLU 549 CO -0.10 -0.07 0.72 -1.12 0.02 0.00 0.00 175.26 174.71 3d3i s SER 550 N 1.29 7.17 0.34 -0.19 0.01 -1.26 -1.73 113.70 119.33 3d3i s SER 550 Ca 0.05 1.39 0.10 0.00 1.31 0.00 0.00 55.95 58.80 3d3i s SER 550 Cb -0.15 -2.44 0.62 0.00 0.21 0.00 0.00 66.02 64.26 3d3i s SER 550 CO 0.03 0.06 1.78 1.62 0.41 0.00 0.00 173.24 177.14 3d3i h VAL 551 N 4.04 1.29 -0.10 3.43 3.04 -1.90 -0.27 116.25 125.77 3d3i h VAL 551 Ca -0.45 -1.37 -0.08 0.00 -1.01 0.00 0.00 66.70 63.79 3d3i h VAL 551 Cb 1.20 1.68 0.00 0.00 -2.01 0.00 0.00 31.29 32.17 3d3i h VAL 551 CO 0.70 0.40 -0.27 -2.24 -1.01 0.00 0.00 177.57 175.15 3d3i h ASP 552 N 0.08 0.41 -0.51 3.17 2.03 -1.94 -1.36 116.42 118.30 3d3i h ASP 552 Ca 0.01 -0.59 0.08 0.00 -0.73 0.00 0.00 57.03 55.79 3d3i h ASP 552 Cb 0.71 -0.12 -0.06 0.00 -0.83 0.00 0.00 39.33 39.03 3d3i h ASP 552 CO 0.05 0.93 0.15 -0.61 -1.03 0.00 0.00 179.24 178.73 3d3i h GLN 553 N -0.09 0.30 -0.72 4.15 5.75 -1.90 0.20 115.11 122.81 3d3i h GLN 553 Ca -0.01 -0.02 -0.06 0.00 -0.15 0.00 0.00 58.65 58.41 3d3i h GLN 553 Cb 0.88 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.33 3d3i h GLN 553 CO 0.06 0.20 0.20 0.00 -2.65 0.00 0.00 178.83 176.64 3d3i h ALA 554 N 1.36 1.01 -0.31 3.38 0.00 -1.03 -2.71 119.26 120.96 3d3i h ALA 554 Ca 0.25 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 3d3i h ALA 554 Cb 0.30 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3d3i h ALA 554 CO -0.28 0.66 -0.27 0.77 0.00 0.00 0.00 179.25 180.13 3d3i h SER 555 N 1.07 0.63 0.00 0.00 0.02 -0.20 -0.82 113.55 114.25 3d3i h SER 555 Ca 0.23 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3d3i h SER 555 Cb 0.33 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.70 3d3i h SER 555 CO -0.00 0.87 0.00 -1.22 -1.14 0.00 0.00 176.83 175.34 3d3i n TYR 556 N -4.10 0.00 0.00 3.45 4.01 0.60 -1.43 117.16 119.69 3d3i n TYR 556 Ca -0.00 -0.27 0.00 0.00 -0.16 0.00 0.00 57.90 57.47 3d3i n TYR 556 Cb 0.44 -0.21 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 0.97 0.00 -0.12 -0.72 9.36 -0.31 -0.40 117.16 125.94 3d3i n TYR 558 Ca 0.00 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.15 3d3i n TYR 558 Cb 0.23 0.00 0.01 0.00 -0.63 0.00 0.00 39.34 38.95 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 0.29 -0.21 2.98 0.87 -1.50 -0.98 113.55 114.99 3d3i h SER 559 Ca 0.00 0.02 0.05 0.00 -1.23 0.00 0.00 61.79 60.62 3d3i h SER 559 Cb 0.00 -0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 61.88 3d3i h SER 559 CO 0.00 0.21 -0.08 -0.78 -0.53 0.00 0.00 176.83 175.64 3d3i h ASP 560 N 0.39 -0.29 -0.70 6.23 3.58 -1.00 -0.50 116.42 124.14 3d3i h ASP 560 Ca 0.16 0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.66 3d3i h ASP 560 Cb 0.06 0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.25 3d3i h ASP 560 CO -0.11 -0.11 0.34 0.78 -2.88 0.00 0.00 179.24 177.26 3d3i h ASN 561 N -0.05 0.91 -0.20 2.28 2.35 -1.76 -0.09 115.58 119.01 3d3i h ASN 561 Ca 0.11 -0.13 0.03 0.00 -0.55 0.00 0.00 56.30 55.76 3d3i h ASN 561 Cb 0.22 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 3d3i h ASN 561 CO -0.25 0.78 0.04 -0.74 -1.65 0.00 0.00 177.43 175.61 3d3i h HIS 562 N 0.97 0.07 -0.07 1.19 2.76 -0.58 -0.15 115.15 119.34 3d3i h HIS 562 Ca 0.24 0.01 -0.16 0.00 -2.20 0.00 0.00 60.37 58.27 3d3i h HIS 562 Cb 0.11 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 3d3i h HIS 562 CO 0.00 0.02 -0.64 1.88 -1.30 0.00 0.00 177.93 177.90 3d3i h TYR 563 N 0.12 0.38 -0.21 5.26 0.05 -0.96 -2.60 116.97 119.01 3d3i h TYR 563 Ca 0.09 -0.15 -0.10 0.00 0.05 0.00 0.00 58.73 58.62 3d3i h TYR 563 Cb 0.08 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 3d3i h TYR 563 CO -0.14 0.85 -0.29 -0.07 -1.05 0.00 0.00 178.16 177.46 3d3i h LEU 564 N 0.21 0.42 -0.43 3.88 3.38 -0.76 -2.64 115.31 119.36 3d3i h LEU 564 Ca -0.01 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 3d3i h LEU 564 Cb 1.17 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 3d3i h LEU 564 CO 0.10 0.70 0.10 0.00 0.09 0.00 0.00 178.44 179.43 3d3i h ALA 565 N 1.34 0.57 0.00 1.53 0.00 -0.87 0.09 119.26 121.92 3d3i h ALA 565 Ca 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3d3i h ALA 565 Cb 0.70 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3d3i h ALA 565 CO 0.05 0.26 0.00 0.39 0.00 0.00 0.00 179.25 179.95 3d3i n GLU 566 N -4.52 0.20 0.00 0.00 1.02 -0.99 -1.64 120.64 114.71 3d3i n GLU 566 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3d3i n GLU 566 Cb 0.22 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 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 0.65 0.00 -0.13 0.62 0.00 0.02 -1.17 120.51 120.50 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 -0.01 0.00 0.00 0.00 0.00 19.45 19.52 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 -0.75 0.00 2.02 -1.53 0.12 112.91 113.95 3d3i h THR 569 Ca 0.00 -0.56 0.04 0.00 0.77 0.00 0.00 66.41 66.66 3d3i h THR 569 Cb 0.00 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.19 3d3i h THR 569 CO 0.00 0.20 0.49 0.40 0.37 0.00 0.00 175.52 176.99 3d3i h ILE 570 N 0.50 1.10 -0.14 3.11 2.04 -1.41 -1.85 117.51 120.85 3d3i h ILE 570 Ca 0.13 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.69 3d3i h ILE 570 Cb 0.16 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 3d3i h ILE 570 CO -0.01 0.16 0.00 0.18 0.00 0.00 0.00 178.15 178.48 3d3i n LEU 571 N -4.46 1.41 -2.17 1.44 4.77 -0.93 -4.94 117.00 112.13 3d3i n LEU 571 Ca 0.10 -0.59 -0.10 0.00 -0.03 0.00 0.00 56.01 55.38 3d3i n LEU 571 Cb 0.13 -0.09 0.04 0.00 -2.33 0.00 0.00 43.42 41.18 3d3i n LEU 571 CO 0.35 0.30 0.09 0.61 -1.33 0.00 0.00 177.39 177.40 3d3i n GLY 572 N 1.08 0.10 2.43 -0.72 0.00 -0.68 -4.99 105.19 102.41 3d3i n GLY 572 Ca 0.16 -0.19 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.71 2.10 -0.35 1.61 5.02 0.32 -4.97 118.16 119.18 3d3i n LYS 573 Ca -0.08 -4.27 0.11 0.00 -2.02 0.00 0.00 58.31 52.05 3d3i n LYS 573 Cb 0.56 -1.97 0.29 0.00 -0.02 0.00 0.00 35.03 33.89 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 3.87 0.81 -0.25 1.97 0.13 -1.91 -0.97 132.00 135.65 3d3i h PRO 574 Ca 0.15 -0.05 -0.15 0.00 -0.87 0.00 0.00 66.00 65.09 3d3i h PRO 574 Cb 0.71 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 31.65 3d3i h PRO 574 CO 0.72 0.54 -0.45 0.93 -0.23 0.00 0.00 178.00 179.51 3d3i h GLU 575 N 0.84 0.63 -0.19 0.86 4.39 -1.96 -1.43 114.58 117.72 3d3i h GLU 575 Ca 0.55 -0.35 -0.15 0.00 0.34 0.00 0.00 59.36 59.75 3d3i h GLU 575 Cb 0.75 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 3d3i h GLU 575 CO -0.34 0.95 -0.51 0.93 -1.16 0.00 0.00 179.01 178.89 3d3i h GLU 576 N 0.51 0.53 -0.46 2.33 5.08 -1.82 -2.19 114.58 118.57 3d3i h GLU 576 Ca 0.03 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 3d3i h GLU 576 Cb 0.98 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 3d3i h GLU 576 CO 0.09 0.92 0.20 0.00 -1.00 0.00 0.00 179.01 179.22 3d3i h ALA 577 N 1.03 0.59 -0.54 3.43 0.00 -0.98 -1.83 119.26 120.96 3d3i h ALA 577 Ca 0.02 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3d3i h ALA 577 Cb 1.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3d3i h ALA 577 CO 0.09 0.17 0.14 0.87 0.00 0.00 0.00 179.25 180.52 3d3i h LYS 578 N 0.59 0.82 -0.30 0.00 1.57 -1.13 -0.76 116.57 117.37 3d3i h LYS 578 Ca 0.15 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 3d3i h LYS 578 Cb 0.15 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3d3i h LYS 578 CO -0.02 0.73 0.10 0.00 -0.57 0.00 0.00 179.45 179.70 3d3i h ARG 579 N 0.79 0.45 -0.26 3.15 3.08 -1.03 -0.62 114.38 119.93 3d3i h ARG 579 Ca 0.18 -0.09 -0.08 0.00 0.07 0.00 0.00 59.98 60.05 3d3i h ARG 579 Cb 0.28 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 3d3i h ARG 579 CO -0.00 0.49 -0.20 1.88 -1.07 0.00 0.00 179.97 181.07 3d3i h TYR 580 N 0.32 0.53 -0.58 3.04 0.05 -1.08 0.17 116.97 119.41 3d3i h TYR 580 Ca 0.10 -0.10 -0.08 0.00 0.05 0.00 0.00 58.73 58.70 3d3i h TYR 580 Cb 0.22 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 37.80 3d3i h TYR 580 CO 0.00 0.65 0.05 -0.09 -1.05 0.00 0.00 178.16 177.72 3d3i h ARG 581 N 0.43 0.96 -0.38 4.88 2.43 -0.86 0.13 114.38 121.98 3d3i h ARG 581 Ca 0.07 -0.26 -0.14 0.00 -0.81 0.00 0.00 59.98 58.85 3d3i h ARG 581 Cb 0.59 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 3d3i h ARG 581 CO 0.04 0.91 -0.30 0.37 -1.51 0.00 0.00 179.97 179.49 3d3i h GLN 582 N 0.89 0.86 -0.79 0.20 4.15 -0.55 -1.95 115.11 117.93 3d3i h GLN 582 Ca 0.17 -0.43 -0.04 0.00 0.77 0.00 0.00 58.65 59.13 3d3i h GLN 582 Cb 0.45 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.11 3d3i h GLN 582 CO 0.02 1.07 0.35 -0.07 -1.93 0.00 0.00 178.83 178.26 3d3i h LEU 583 N 0.67 1.07 -0.21 -2.39 3.38 -0.58 -1.69 115.31 115.55 3d3i h LEU 583 Ca 0.07 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 3d3i h LEU 583 Cb 0.88 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3d3i h LEU 583 CO 0.08 0.92 0.07 0.00 0.09 0.00 0.00 178.44 179.60 3d3i h ALA 584 N 1.23 0.28 -0.88 1.53 0.00 -0.84 -2.11 119.26 118.47 3d3i h ALA 584 Ca 0.27 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3d3i h ALA 584 Cb 0.17 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 3d3i h ALA 584 CO -0.03 -0.10 0.58 1.96 0.00 0.00 0.00 179.25 181.66 3d3i h GLN 585 N 0.18 1.14 -0.74 0.00 4.20 -1.09 -0.28 115.11 118.52 3d3i h GLN 585 Ca 0.07 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 3d3i h GLN 585 Cb 0.22 -0.26 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 3d3i h GLN 585 CO -0.00 0.75 0.35 1.96 -0.67 0.00 0.00 178.83 181.22 3d3i h GLN 586 N 1.17 1.07 -0.42 1.46 4.20 -1.16 -1.25 115.11 120.19 3d3i h GLN 586 Ca 0.33 -0.16 -0.13 0.00 0.06 0.00 0.00 58.65 58.75 3d3i h GLN 586 Cb -0.10 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.48 3d3i h GLN 586 CO -0.08 0.84 -0.27 -0.07 -0.67 0.00 0.00 178.83 178.58 3d3i h LEU 587 N 1.04 0.93 -0.43 1.46 3.38 -0.82 -1.82 115.31 119.05 3d3i h LEU 587 Ca 0.25 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3d3i h LEU 587 Cb 0.13 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3d3i h LEU 587 CO -0.03 1.13 0.23 0.00 0.09 0.00 0.00 178.44 179.87 3d3i h ALA 588 N 0.92 0.55 -0.74 1.53 0.00 -0.74 0.51 119.26 121.29 3d3i h ALA 588 Ca 0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3d3i h ALA 588 Cb 0.83 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3d3i h ALA 588 CO 0.07 0.08 0.39 -0.44 0.00 0.00 0.00 179.25 179.35 3d3i h ASP 589 N 0.56 0.93 -0.41 0.00 3.32 -1.11 -0.81 116.42 118.90 3d3i h ASP 589 Ca 0.15 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 3d3i h ASP 589 Cb 0.06 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 3d3i h ASP 589 CO -0.02 0.77 0.06 0.22 -1.72 0.00 0.00 179.24 178.54 3d3i h TYR 590 N 1.02 0.73 -0.21 4.55 3.20 -0.97 0.42 116.97 125.72 3d3i h TYR 590 Ca 0.26 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 62.03 3d3i h TYR 590 Cb 0.05 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 3d3i h TYR 590 CO 0.00 0.71 0.14 0.82 -1.64 0.00 0.00 178.16 178.19 3d3i h ILE 591 N 0.53 1.06 -0.34 1.81 2.04 -0.63 0.23 117.51 122.22 3d3i h ILE 591 Ca 0.12 -0.11 -0.17 0.00 1.00 0.00 0.00 64.86 65.70 3d3i h ILE 591 Cb 0.38 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 3d3i h ILE 591 CO 0.01 0.06 -0.43 0.78 0.00 0.00 0.00 178.15 178.56 3d3i h ASN 592 N 0.28 0.97 0.05 1.72 -0.26 -1.07 -3.11 115.58 114.15 3d3i h ASN 592 Ca 0.08 -0.49 -0.18 0.00 -0.56 0.00 0.00 56.30 55.14 3d3i h ASN 592 Cb -0.02 -0.27 0.02 0.00 -1.06 0.00 0.00 38.32 36.98 3d3i h ASN 592 CO -0.02 1.27 -0.75 0.74 -1.06 0.00 0.00 177.43 177.61 3d3i h THR 593 N 0.69 1.43 -0.31 2.81 2.02 -0.86 -3.33 112.91 115.36 3d3i h THR 593 Ca 0.04 -2.25 0.00 0.00 0.77 0.00 0.00 66.41 64.98 3d3i h THR 593 Cb 1.04 2.75 0.00 0.00 -1.74 0.00 0.00 68.15 70.20 3d3i h THR 593 CO 0.10 0.65 0.00 0.00 0.37 0.00 0.00 175.52 176.65 3d3i n PHE 596 N 0.40 0.00 -3.30 0.00 7.35 -1.18 -4.19 117.46 116.54 3d3i n PHE 596 Ca 0.12 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.40 3d3i n PHE 596 Cb 0.51 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 40.26 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 6.24 0.41 -2.13 2.15 0.09 -4.95 116.67 118.48 3d3i s ASP 597 Ca 0.00 -0.33 0.12 0.00 0.43 0.00 0.00 52.55 52.77 3d3i s ASP 597 Cb 0.00 -2.24 0.96 0.00 -0.30 0.00 0.00 42.92 41.34 3d3i s ASP 597 CO 0.00 -0.51 1.95 -0.65 -0.17 0.00 0.00 175.17 175.79 3d3i h PRO 598 N 8.59 0.49 0.19 4.34 0.11 -1.98 -0.42 132.00 143.32 3d3i h PRO 598 Ca -0.28 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.80 3d3i h PRO 598 Cb 1.12 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3d3i h PRO 598 CO 0.77 0.32 -0.09 1.15 -0.21 0.00 0.00 178.00 179.95 3d3i h THR 599 N 0.50 0.86 -0.02 -1.15 2.02 -1.96 -3.26 112.91 109.91 3d3i h THR 599 Ca 0.32 -0.98 0.00 0.00 0.77 0.00 0.00 66.41 66.52 3d3i h THR 599 Cb 0.58 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 3d3i h THR 599 CO -0.10 0.20 0.00 0.35 0.37 0.00 0.00 175.52 176.34 3d3i n THR 600 N -4.97 0.01 -3.80 3.16 -2.24 -1.20 -4.95 114.28 100.29 3d3i n THR 600 Ca -0.08 -0.18 -0.24 0.00 -2.27 0.00 0.00 64.05 61.28 3d3i n THR 600 Cb 0.26 0.19 0.02 0.00 -2.10 0.00 0.00 70.33 68.70 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 -0.18 -4.52 -3.83 -0.78 6.02 -0.17 -4.97 117.38 108.95 3d3i n GLN 601 Ca 0.20 0.56 -0.09 0.00 -0.01 0.00 0.00 57.00 57.65 3d3i n GLN 601 Cb 0.28 -5.04 -0.05 0.00 1.02 0.00 0.00 30.24 26.45 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 -3.70 0.09 0.00 1.08 5.36 -1.19 -3.75 117.98 115.87 3d3i s PHE 602 Ca 0.09 -0.44 -0.02 0.00 -0.96 0.00 0.00 56.93 55.60 3d3i s PHE 602 Cb -0.05 0.23 -0.04 0.00 -0.34 0.00 0.00 43.02 42.83 3d3i s PHE 602 CO 0.84 -0.86 0.19 0.71 -1.46 0.00 0.00 175.22 174.63 3d3i s TYR 603 N -3.91 3.54 0.18 10.12 2.02 -1.26 -0.73 117.35 127.31 3d3i s TYR 603 Ca 0.13 0.34 -0.07 0.00 -0.37 0.00 0.00 57.07 57.09 3d3i s TYR 603 Cb 0.00 -1.82 -0.02 0.00 -0.40 0.00 0.00 41.96 39.73 3d3i s TYR 603 CO -0.01 0.64 0.26 0.71 -1.57 0.00 0.00 175.55 175.58 3d3i s TYR 604 N -1.35 0.56 0.90 2.71 2.02 -1.26 -4.26 117.35 116.67 3d3i s TYR 604 Ca 0.28 -0.91 -0.12 0.00 -0.37 0.00 0.00 57.07 55.96 3d3i s TYR 604 Cb -0.13 -0.14 0.13 0.00 -0.40 0.00 0.00 41.96 41.42 3d3i s TYR 604 CO 0.20 -0.73 1.11 -0.51 -1.57 0.00 0.00 175.55 174.05 3d3i s ASP 605 N -3.01 3.55 0.05 2.29 1.11 -1.26 -4.47 116.67 114.92 3d3i s ASP 605 Ca 0.22 1.23 0.04 0.00 0.18 0.00 0.00 52.55 54.23 3d3i s ASP 605 Cb 0.04 -1.90 -0.02 0.00 1.07 0.00 0.00 42.92 42.11 3d3i s ASP 605 CO 0.03 -2.56 -0.13 0.68 1.18 0.00 0.00 175.17 174.38 3d3i s VAL 606 N -3.09 1.01 0.51 -1.27 -7.23 -0.70 -0.54 120.40 109.09 3d3i s VAL 606 Ca 0.63 -1.08 -0.13 0.00 -1.81 0.00 0.00 61.98 59.60 3d3i s VAL 606 Cb -0.16 -0.95 -0.06 0.00 0.56 0.00 0.00 36.38 35.77 3d3i s VAL 606 CO 0.55 -0.12 0.92 -0.13 -0.31 0.00 0.00 175.10 176.02 3d3i s ARG 607 N -1.35 3.79 -0.82 4.82 0.52 -1.23 -0.60 118.95 124.07 3d3i s ARG 607 Ca -0.01 0.72 -0.16 0.00 -0.52 0.00 0.00 55.73 55.75 3d3i s ARG 607 Cb -0.09 -2.21 0.17 0.00 0.52 0.00 0.00 34.95 33.35 3d3i s ARG 607 CO 0.01 -0.27 0.87 0.42 0.02 0.00 0.00 175.30 176.35 3d3i s ILE 608 N -2.70 5.20 0.92 1.52 1.01 -0.52 -2.43 121.20 124.20 3d3i s ILE 608 Ca 0.55 -1.95 -0.12 0.00 0.00 0.00 0.00 60.65 59.13 3d3i s ILE 608 Cb -0.10 -4.57 0.14 0.00 0.01 0.00 0.00 42.46 37.94 3d3i s ILE 608 CO 0.38 -1.20 1.09 -1.61 0.00 0.00 0.00 174.94 173.60 3d3i s GLU 609 N 1.38 1.07 0.53 2.79 2.02 -0.50 -4.83 118.70 121.16 3d3i s GLU 609 Ca 0.22 0.72 0.27 0.00 0.02 0.00 0.00 54.97 56.20 3d3i s GLU 609 Cb -0.11 -1.79 1.41 0.00 0.10 0.00 0.00 34.13 33.74 3d3i s GLU 609 CO -0.07 -2.35 1.96 -0.44 0.02 0.00 0.00 175.26 174.39 3d3i h ASP 610 N -1.62 0.02 -3.74 -0.19 3.32 -1.96 -3.40 116.42 108.84 3d3i h ASP 610 Ca -0.51 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.33 3d3i h ASP 610 Cb 1.30 -0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.57 3d3i h ASP 610 CO 0.56 0.01 -0.62 -1.59 -1.72 0.00 0.00 179.24 175.88 3d3i s LYS 611 N -5.02 0.10 0.92 3.56 -2.85 -1.26 -5.15 119.74 110.03 3d3i s LYS 611 Ca -0.05 0.14 -0.11 0.00 -1.00 0.00 0.00 55.97 54.94 3d3i s LYS 611 Cb 0.20 0.04 0.14 0.00 -2.06 0.00 0.00 37.83 36.15 3d3i s LYS 611 CO 0.75 -0.02 1.09 -1.25 0.10 0.00 0.00 175.35 176.02 3d3i s PRO 612 N 0.11 1.06 0.75 1.78 0.04 -1.26 -4.84 135.00 132.65 3d3i s PRO 612 Ca -0.01 0.96 -0.12 0.00 0.04 0.00 0.00 61.00 61.88 3d3i s PRO 612 Cb -0.01 -1.78 0.04 0.00 0.04 0.00 0.00 34.50 32.79 3d3i s PRO 612 CO -0.00 -2.41 1.13 -0.51 0.04 0.00 0.00 177.00 175.24 3d3i s LEU 613 N -6.36 2.74 0.53 -3.56 1.43 0.91 -4.92 118.68 109.44 3d3i s LEU 613 Ca 0.64 1.02 0.21 0.00 -1.03 0.00 0.00 54.13 54.97 3d3i s LEU 613 Cb -0.19 -3.70 1.36 0.00 0.03 0.00 0.00 46.19 43.68 3d3i s LEU 613 CO 0.58 -1.58 2.08 0.00 0.23 0.00 0.00 176.35 177.66 3d3i h ALA 614 N -0.82 2.22 -0.09 4.21 0.00 -1.95 0.30 119.26 123.13 3d3i h ALA 614 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3d3i h ALA 614 Cb 1.28 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3d3i h ALA 614 CO 0.64 -0.33 0.00 0.27 0.00 0.00 0.00 179.25 179.84 3d3i n ASN 615 N -4.42 0.72 0.00 0.00 0.23 -1.26 -4.89 115.26 105.64 3d3i n ASN 615 Ca 0.03 -1.65 0.00 0.00 -0.53 0.00 0.00 54.58 52.43 3d3i n ASN 615 Cb 0.35 -0.06 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 0.88 1.32 3.77 4.83 0.00 0.10 -5.04 105.19 111.05 3d3i n GLY 616 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 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 2.52 1.48 -1.84 0.00 0.00 -1.93 0.26 119.26 119.75 3d3i h ALA 618 Ca -0.49 -0.17 0.36 0.00 0.00 0.00 0.00 54.91 54.62 3d3i h ALA 618 Cb 1.23 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.91 3d3i h ALA 618 CO 0.62 0.23 0.93 0.20 0.00 0.00 0.00 179.25 181.23 3d3i s GLY 619 N -4.21 -0.24 0.51 0.00 0.00 -1.02 -1.41 107.32 100.95 3d3i s GLY 619 Ca -0.03 0.29 -0.13 0.00 0.00 0.00 0.00 44.72 44.85 3d3i s GLY 619 CO 0.66 4.29 0.92 0.54 0.00 0.00 0.00 173.10 179.51 3d3i s LYS 620 N -2.08 3.78 0.36 2.90 1.02 -1.26 -4.65 119.74 119.81 3d3i s LYS 620 Ca 0.26 0.71 -0.28 0.00 0.02 0.00 0.00 55.97 56.67 3d3i s LYS 620 Cb 0.02 -2.21 -0.10 0.00 -0.52 0.00 0.00 37.83 35.01 3d3i s LYS 620 CO -0.02 -0.28 1.37 -1.25 -0.92 0.00 0.00 175.35 174.25 3d3i s PRO 621 N -4.35 4.22 -1.47 -1.68 0.04 -1.26 -3.49 135.00 127.01 3d3i s PRO 621 Ca 0.55 2.34 -0.12 0.00 0.04 0.00 0.00 61.00 63.81 3d3i s PRO 621 Cb -0.10 -3.00 0.03 0.00 0.04 0.00 0.00 34.50 31.46 3d3i s PRO 621 CO 0.38 -0.34 2.40 -0.89 0.04 0.00 0.00 177.00 178.58 3d3i n ILE 622 N 0.60 3.94 0.20 0.56 2.08 0.30 -4.71 119.36 122.34 3d3i n ILE 622 Ca 0.01 -3.17 0.04 0.00 0.56 0.00 0.00 62.75 60.18 3d3i n ILE 622 Cb 0.41 -2.54 0.43 0.00 -0.75 0.00 0.00 39.64 37.19 3d3i n ILE 622 CO 0.00 0.00 0.00 -0.37 0.56 0.00 0.00 176.55 176.74 3d3i h VAL 623 N 3.59 1.19 0.00 1.39 -1.51 -1.89 -3.08 116.25 115.93 3d3i h VAL 623 Ca 0.64 -0.93 -0.01 0.00 -1.23 0.00 0.00 66.70 65.18 3d3i h VAL 623 Cb 0.51 1.49 -0.00 0.00 -2.13 0.00 0.00 31.29 31.17 3d3i h VAL 623 CO 1.80 0.27 -0.03 1.05 -1.23 0.00 0.00 177.57 179.43 3d3i h GLU 624 N 0.01 0.00 -0.10 5.19 9.09 -1.98 -2.06 114.58 124.74 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 0.48 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.58 3d3i h GLU 624 CO 0.03 0.03 0.00 0.54 0.05 0.00 0.00 179.01 179.66 3d3i n ARG 625 N -3.28 1.47 0.00 1.06 1.74 -1.16 -4.85 116.66 111.64 3d3i n ARG 625 Ca -0.02 -0.71 0.00 0.00 -0.77 0.00 0.00 57.85 56.36 3d3i n ARG 625 Cb 0.16 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 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 1.02 -0.55 3.86 -0.13 0.00 -0.77 -4.57 105.19 104.05 3d3i n GLY 626 Ca 0.16 -1.72 -0.34 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.85 3.89 0.31 1.61 1.02 -1.26 -4.90 119.74 118.56 3d3i s LYS 627 Ca 0.00 0.37 0.02 0.00 0.02 0.00 0.00 55.97 56.38 3d3i s LYS 627 Cb 0.00 -2.89 -0.02 0.00 -0.52 0.00 0.00 37.83 34.40 3d3i s LYS 627 CO 0.00 0.47 0.33 0.20 -0.92 0.00 0.00 175.35 175.42 3d3i s GLY 628 N -1.86 1.86 0.63 -3.33 0.00 -1.26 -2.00 107.32 101.36 3d3i s GLY 628 Ca 0.38 -1.80 0.39 0.00 0.00 0.00 0.00 44.72 43.70 3d3i s GLY 628 CO 0.19 -1.28 2.30 -0.56 0.00 0.00 0.00 173.10 173.76 3d3i h PRO 629 N 2.21 0.00 0.00 2.90 0.13 -1.76 -0.32 132.00 135.16 3d3i h PRO 629 Ca -0.28 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.85 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 0.01 -0.00 1.05 -0.23 0.00 0.00 178.00 179.22 3d3i h GLU 630 N 0.00 0.00 0.00 0.86 9.09 -1.93 -2.04 114.58 120.56 3d3i h GLU 630 Ca -0.00 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 3d3i h GLU 630 Cb 0.05 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.15 3d3i h GLU 630 CO 0.00 0.00 -0.05 0.78 0.05 0.00 0.00 179.01 179.80 3d3i h GLY 631 N 0.43 0.00 -2.21 1.06 0.00 -1.23 -1.80 103.07 99.32 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 -4.36 0.88 -0.20 5.60 2.14 -0.77 -4.19 117.44 116.54 3d3i n TRP 632 Ca -0.03 -0.54 -0.04 0.00 2.07 0.00 0.00 57.50 58.97 3d3i n TRP 632 Cb 0.13 -0.06 0.15 0.00 -0.81 0.00 0.00 31.31 30.72 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 3.36 0.91 0.25 -0.67 0.87 -1.36 -1.52 113.55 115.38 3d3i h SER 633 Ca 0.00 -0.14 -0.03 0.00 -1.23 0.00 0.00 61.79 60.39 3d3i h SER 633 Cb 1.00 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.72 3d3i h SER 633 CO 0.05 0.83 -0.14 -0.65 -0.53 0.00 0.00 176.83 176.39 3d3i h PRO 634 N 0.97 0.00 0.00 2.24 0.11 -1.78 -1.28 132.00 132.26 3d3i h PRO 634 Ca 0.22 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.31 3d3i h PRO 634 Cb 0.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.33 3d3i h PRO 634 CO -0.02 0.14 -0.10 -0.07 -0.21 0.00 0.00 178.00 177.75 3d3i h LEU 635 N 0.00 0.08 -0.61 2.35 4.07 -1.64 0.76 115.31 120.32 3d3i h LEU 635 Ca -0.00 -0.82 0.06 0.00 0.08 0.00 0.00 57.88 57.20 3d3i h LEU 635 Cb 0.30 -0.02 -0.05 0.00 1.08 0.00 0.00 40.66 41.96 3d3i h LEU 635 CO 0.02 0.89 0.31 0.15 -1.08 0.00 0.00 178.44 178.73 3d3i h PHE 636 N -0.72 0.57 -0.00 1.13 3.57 -1.09 -2.05 116.94 118.35 3d3i h PHE 636 Ca -0.01 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3d3i h PHE 636 Cb 0.91 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.48 3d3i h PHE 636 CO 0.21 0.26 -0.06 0.09 -2.23 0.00 0.00 178.31 176.58 3d3i n ASN 637 N -4.85 0.18 -0.36 0.41 3.02 -0.50 -4.74 115.26 108.42 3d3i n ASN 637 Ca 0.07 -0.22 -0.04 0.00 -0.03 0.00 0.00 54.58 54.36 3d3i n ASN 637 Cb 0.17 -0.21 -0.02 0.00 -0.61 0.00 0.00 39.78 39.12 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 1.32 0.65 0.13 7.41 0.00 -0.75 -4.63 105.19 109.31 3d3i n GLY 638 Ca 0.13 -0.85 0.09 0.00 0.00 0.00 0.00 46.02 45.40 3d3i n GLY 638 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d3i h ALA 639 N 0.03 0.61 -2.65 4.61 0.00 -1.15 -3.48 119.26 117.23 3d3i h ALA 639 Ca -0.09 -0.16 -0.51 0.00 0.00 0.00 0.00 54.91 54.16 3d3i h ALA 639 Cb 0.39 0.04 0.07 0.00 0.00 0.00 0.00 17.79 18.29 3d3i h ALA 639 CO 0.13 0.18 0.46 0.00 0.00 0.00 0.00 179.25 180.02 3d3i s ALA 640 N -3.25 2.81 0.61 0.00 0.00 -0.87 -4.83 121.76 116.23 3d3i s ALA 640 Ca 0.01 0.89 -0.10 0.00 0.00 0.00 0.00 51.96 52.75 3d3i s ALA 640 Cb 0.09 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 3d3i s ALA 640 CO 0.77 -0.74 1.00 0.95 0.00 0.00 0.00 175.76 177.74 3d3i s THR 641 N -1.66 4.56 0.20 0.00 -4.23 -1.26 -4.89 115.64 108.36 3d3i s THR 641 Ca 0.69 0.70 -0.11 0.00 -1.18 0.00 0.00 61.69 61.79 3d3i s THR 641 Cb -0.26 -3.81 0.13 0.00 1.34 0.00 0.00 72.50 69.90 3d3i s THR 641 CO 0.31 -1.02 1.85 -0.61 -0.54 0.00 0.00 174.62 174.61 3d3i h GLN 642 N -0.27 0.85 -0.53 3.99 5.75 -1.99 -1.42 115.11 121.49 3d3i h GLN 642 Ca -0.45 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.00 3d3i h GLN 642 Cb 1.20 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 29.54 3d3i h GLN 642 CO 0.62 0.56 0.33 0.00 -2.65 0.00 0.00 178.83 177.69 3d3i h ALA 643 N 1.28 0.67 -0.12 3.38 0.00 -2.00 -0.02 119.26 122.46 3d3i h ALA 643 Ca 0.27 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 3d3i h ALA 643 Cb -0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3d3i h ALA 643 CO -0.09 0.14 -0.39 -0.91 0.00 0.00 0.00 179.25 178.00 3d3i h ASN 644 N 0.71 0.26 -0.38 0.00 2.35 -1.89 -2.41 115.58 114.23 3d3i h ASN 644 Ca 0.19 -0.11 -0.11 0.00 -0.55 0.00 0.00 56.30 55.73 3d3i h ASN 644 Cb -0.04 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 3d3i h ASN 644 CO -0.04 0.64 -0.19 0.00 -1.65 0.00 0.00 177.43 176.19 3d3i h ALA 645 N 1.38 0.53 -0.94 -0.83 0.00 -0.77 -1.75 119.26 116.88 3d3i h ALA 645 Ca 0.02 -0.36 0.05 0.00 0.00 0.00 0.00 54.91 54.62 3d3i h ALA 645 Cb 0.79 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 3d3i h ALA 645 CO 0.06 0.47 0.60 -0.44 0.00 0.00 0.00 179.25 179.95 3d3i h ASP 646 N 0.59 0.97 -0.25 0.00 3.32 -0.76 -0.87 116.42 119.42 3d3i h ASP 646 Ca 0.08 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 3d3i h ASP 646 Cb 0.74 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 3d3i h ASP 646 CO 0.06 0.64 0.06 0.00 -1.72 0.00 0.00 179.24 178.27 3d3i h ALA 647 N 1.41 0.33 -0.69 3.45 0.00 -1.20 -2.84 119.26 119.71 3d3i h ALA 647 Ca 0.39 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 3d3i h ALA 647 Cb 0.11 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3d3i h ALA 647 CO -0.15 -0.02 0.19 0.28 0.00 0.00 0.00 179.25 179.54 3d3i h VAL 648 N 0.23 1.26 -0.62 0.00 2.07 -0.89 -2.76 116.25 115.54 3d3i h VAL 648 Ca 0.08 -0.94 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 3d3i h VAL 648 Cb 0.28 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 3d3i h VAL 648 CO 0.00 0.36 0.37 0.58 0.02 0.00 0.00 177.57 178.90 3d3i h VAL 649 N 1.04 1.17 -0.71 2.57 2.07 -1.12 -1.84 116.25 119.44 3d3i h VAL 649 Ca 0.22 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 3d3i h VAL 649 Cb 0.35 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 3d3i h VAL 649 CO -0.00 0.18 0.26 0.11 0.02 0.00 0.00 177.57 178.15 3d3i h LYS 650 N 0.85 1.06 -1.43 1.57 1.57 -1.25 -1.12 116.57 117.82 3d3i h LYS 650 Ca 0.22 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3d3i h LYS 650 Cb -0.03 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.10 3d3i h LYS 650 CO -0.04 0.87 0.00 0.28 -0.57 0.00 0.00 179.45 179.99 3d3i n VAL 651 N -4.28 0.37 0.00 0.50 0.31 -0.69 -2.32 118.33 112.21 3d3i n VAL 651 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 3d3i n VAL 651 Cb 0.19 -0.65 0.00 0.00 -0.91 0.00 0.00 33.84 32.48 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 0.72 0.00 -4.67 7.52 4.77 -0.42 -3.91 117.00 121.00 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 0.20 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.26 3d3i n LEU 653 CO 0.00 0.00 0.96 -0.62 -1.33 0.00 0.00 177.39 176.40 3d3i s ASP 654 N 0.00 7.06 0.64 -1.43 -1.08 -0.98 -4.65 116.67 116.24 3d3i s ASP 654 Ca 0.00 1.64 0.42 0.00 -0.52 0.00 0.00 52.55 54.09 3d3i s ASP 654 Cb 0.00 -2.55 2.22 0.00 -1.46 0.00 0.00 42.92 41.13 3d3i s ASP 654 CO 0.00 -0.63 2.30 -0.65 0.52 0.00 0.00 175.17 176.70 3d3i h PRO 655 N 7.63 0.00 -0.01 4.34 0.11 -1.88 -0.42 132.00 141.78 3d3i h PRO 655 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3d3i h PRO 655 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3d3i h PRO 655 CO 0.92 0.00 -0.25 1.63 -0.21 0.00 0.00 178.00 180.09 3d3i n LYS 656 N -3.11 0.71 0.00 1.05 5.02 -1.26 -4.54 118.16 116.03 3d3i n LYS 656 Ca -0.02 -0.39 0.00 0.00 -2.02 0.00 0.00 58.31 55.88 3d3i n LYS 656 Cb 0.12 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 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 -0.81 0.00 -0.00 1.97 -0.58 -0.26 -4.04 120.64 116.93 3d3i n GLU 657 Ca 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 3d3i n GLU 657 Cb 0.33 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.20 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 -1.12 0.00 -2.03 -0.32 3.72 -0.88 -1.26 117.46 115.57 3d3i n PHE 658 Ca 0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 3d3i n PHE 658 Cb 0.00 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 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 -1.18 4.35 -4.60 4.37 2.85 -0.62 -1.15 115.26 119.28 3d3i n ASN 659 Ca 0.00 -2.92 -0.18 0.00 -0.11 0.00 0.00 54.58 51.36 3d3i n ASN 659 Cb 0.02 -1.62 0.07 0.00 1.24 0.00 0.00 39.78 39.49 3d3i n ASN 659 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 3d3i n THR 660 N 4.80 0.00 -0.31 -0.44 -2.24 -1.26 -4.30 114.28 110.53 3d3i n THR 660 Ca 0.48 -1.69 0.04 0.00 -2.27 0.00 0.00 64.05 60.62 3d3i n THR 660 Cb 0.39 -0.65 0.12 0.00 -2.10 0.00 0.00 70.33 68.10 3d3i n THR 660 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3d3i h PHE 661 N -0.07 -0.43 -3.80 4.78 3.57 -1.74 -2.53 116.94 116.72 3d3i h PHE 661 Ca -0.26 0.08 -0.67 0.00 3.53 0.00 0.00 57.97 60.65 3d3i h PHE 661 Cb 1.13 0.32 -0.37 0.00 2.79 0.00 0.00 35.95 39.83 3d3i h PHE 661 CO 0.00 -0.37 -0.76 0.08 -2.23 0.00 0.00 178.31 175.03 3d3i s VAL 662 N -6.23 2.31 0.84 1.41 1.01 -0.74 -4.74 120.40 114.27 3d3i s VAL 662 Ca -0.15 -1.82 -0.11 0.00 0.00 0.00 0.00 61.98 59.91 3d3i s VAL 662 Cb 0.24 -2.46 0.10 0.00 0.00 0.00 0.00 36.38 34.26 3d3i s VAL 662 CO 0.76 -0.21 1.10 -2.84 0.00 0.00 0.00 175.10 173.92 3d3i s PRO 663 N 1.06 1.65 -1.14 2.72 0.02 -0.95 -4.54 135.00 133.82 3d3i s PRO 663 Ca -0.03 1.21 -0.02 0.00 0.02 0.00 0.00 61.00 62.19 3d3i s PRO 663 Cb -0.20 -1.82 -0.02 0.00 0.02 0.00 0.00 34.50 32.48 3d3i s PRO 663 CO -0.05 -2.08 0.96 1.28 -0.33 0.00 0.00 177.00 176.77 3d3i n LEU 664 N -3.83 -4.44 -4.72 -5.54 4.77 -0.30 -4.92 117.00 98.03 3d3i n LEU 664 Ca 0.09 -0.63 -0.30 0.00 -0.03 0.00 0.00 56.01 55.14 3d3i n LEU 664 Cb 0.53 -3.11 0.23 0.00 -2.33 0.00 0.00 43.42 38.74 3d3i n LEU 664 CO 0.53 0.30 0.72 -0.83 -1.33 0.00 0.00 177.39 176.78 3d3i s GLY 665 N -4.08 1.67 0.00 -0.72 0.00 -1.26 -4.47 107.32 98.47 3d3i s GLY 665 Ca 0.12 -1.12 0.16 0.00 0.00 0.00 0.00 44.72 43.88 3d3i s GLY 665 CO 0.72 -0.25 1.54 -0.37 0.00 0.00 0.00 173.10 174.74 3d3i n THR 666 N -4.45 0.00 -3.64 0.90 5.66 -0.32 -4.35 114.28 108.09 3d3i n THR 666 Ca 0.15 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.07 3d3i n THR 666 Cb 0.60 -0.31 -0.07 0.00 -1.55 0.00 0.00 70.33 68.99 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 -2.00 0.65 1.79 0.00 -1.26 -4.24 121.76 114.70 3d3i s ALA 667 Ca 0.23 2.10 -0.16 0.00 0.00 0.00 0.00 51.96 54.13 3d3i s ALA 667 Cb 0.11 -1.46 -0.00 0.00 0.00 0.00 0.00 23.12 21.76 3d3i s ALA 667 CO 0.18 -0.31 1.17 0.00 0.00 0.00 0.00 175.76 176.79 3d3i s ALA 668 N 0.83 2.40 0.55 0.00 0.00 -0.85 -4.49 121.76 120.20 3d3i s ALA 668 Ca -0.03 0.80 0.25 0.00 0.00 0.00 0.00 51.96 52.97 3d3i s ALA 668 Cb -0.05 -3.40 1.46 0.00 0.00 0.00 0.00 23.12 21.13 3d3i s ALA 668 CO -0.10 -1.38 2.04 -0.07 0.00 0.00 0.00 175.76 176.25 3d3i h LEU 669 N 0.27 0.00 0.00 0.00 3.38 -1.36 -0.17 115.31 117.43 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 -0.09 0.35 0.09 0.00 0.00 178.44 179.32 3d3i n THR 670 N -4.19 0.02 -1.90 0.22 -2.24 -1.26 -4.87 114.28 100.06 3d3i n THR 670 Ca 0.05 -0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.40 3d3i n THR 670 Cb 0.45 -0.37 -0.03 0.00 -2.10 0.00 0.00 70.33 68.28 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 -3.04 6.56 0.67 3.42 3.84 -0.08 -4.87 114.94 121.43 3d3i s ASN 671 Ca 0.13 2.63 0.40 0.00 0.21 0.00 0.00 52.86 56.23 3d3i s ASN 671 Cb 0.19 -2.59 2.19 0.00 -0.55 0.00 0.00 41.25 40.49 3d3i s ASN 671 CO 0.56 -0.87 2.24 1.55 -2.79 0.00 0.00 177.10 177.80 3d3i h PRO 672 N 7.23 0.00 -0.40 0.43 0.13 -1.89 -0.85 132.00 136.65 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 0.92 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.69 3d3i n ALA 673 N -2.04 2.99 -1.76 -0.56 0.00 -1.26 -4.82 120.51 113.06 3d3i n ALA 673 Ca -0.03 -1.89 -0.39 0.00 0.00 0.00 0.00 53.44 51.13 3d3i n ALA 673 Cb 0.16 -0.78 0.01 0.00 0.00 0.00 0.00 19.45 18.84 3d3i n ALA 673 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3d3i s PHE 674 N -2.28 2.67 -0.26 0.00 5.36 -0.33 -4.86 117.98 118.28 3d3i s PHE 674 Ca 0.42 1.38 -0.07 0.00 -0.96 0.00 0.00 56.93 57.70 3d3i s PHE 674 Cb 0.31 -3.71 0.12 0.00 -0.34 0.00 0.00 43.02 39.40 3d3i s PHE 674 CO 0.14 -2.34 0.54 0.20 -1.46 0.00 0.00 175.22 172.30 3d3i s GLY 675 N -0.78 -0.60 0.60 13.12 0.00 0.58 -5.03 107.32 115.21 3d3i s GLY 675 Ca 0.61 1.87 0.30 0.00 0.00 0.00 0.00 44.72 47.49 3d3i s GLY 675 CO 0.49 2.83 2.11 0.00 0.00 0.00 0.00 173.10 178.53 3d3i h ALA 676 N 8.08 1.71 -0.07 3.20 0.00 -1.91 -1.54 119.26 128.74 3d3i h ALA 676 Ca -0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3d3i h ALA 676 Cb 1.11 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3d3i h ALA 676 CO 0.14 -0.27 0.00 -0.25 0.00 0.00 0.00 179.25 178.87 3d3i n ASP 677 N -3.70 2.40 -4.68 0.00 8.00 -1.26 -4.18 116.55 113.14 3d3i n ASP 677 Ca 0.01 -1.68 -0.42 0.00 0.71 0.00 0.00 54.79 53.40 3d3i n ASP 677 Cb 0.30 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.34 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 -1.27 4.76 0.19 0.53 -1.09 -0.58 -4.89 121.20 118.86 3d3i s ILE 678 Ca 0.20 1.99 -0.24 0.00 -2.23 0.00 0.00 60.65 60.37 3d3i s ILE 678 Cb 0.13 -4.29 0.09 0.00 -1.58 0.00 0.00 42.46 36.81 3d3i s ILE 678 CO 0.20 -0.05 1.56 1.88 -1.23 0.00 0.00 174.94 177.30 3d3i h TYR 679 N 7.24 -1.27 -0.32 3.97 -1.99 -1.93 -1.91 116.97 120.76 3d3i h TYR 679 Ca -0.27 0.09 0.00 0.00 2.00 0.00 0.00 58.73 60.55 3d3i h TYR 679 Cb 1.12 0.66 0.00 0.00 2.00 0.00 0.00 36.73 40.51 3d3i h TYR 679 CO 0.72 -0.41 0.00 0.91 -0.00 0.00 0.00 178.16 179.39 3d3i n TRP 680 N -5.41 0.93 -2.59 4.88 7.02 -1.26 -3.95 117.44 117.06 3d3i n TRP 680 Ca 0.04 -0.77 -0.06 0.00 -1.02 0.00 0.00 57.50 55.69 3d3i n TRP 680 Cb 0.35 -0.26 0.04 0.00 -2.42 0.00 0.00 31.31 29.03 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 -0.14 2.20 0.00 -0.99 1.74 -1.05 -4.23 116.66 114.19 3d3i n ARG 681 Ca 0.20 -3.65 0.00 0.00 -0.77 0.00 0.00 57.85 53.63 3d3i n ARG 681 Cb 0.81 -1.75 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 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 -0.61 1.52 3.72 -0.13 0.00 -1.17 -0.31 105.19 108.21 3d3i n GLY 682 Ca 0.17 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 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 1.39 -3.44 1.61 5.12 -0.74 -3.32 116.66 117.27 3d3i n ARG 683 Ca 0.00 0.52 -0.38 0.00 -1.93 0.00 0.00 57.85 56.07 3d3i n ARG 683 Cb 0.00 -2.49 -0.08 0.00 -1.16 0.00 0.00 32.46 28.73 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 -1.35 5.23 -0.01 1.55 1.01 0.71 -1.17 120.40 126.38 3d3i s VAL 684 Ca 0.75 0.62 0.02 0.00 0.00 0.00 0.00 61.98 63.37 3d3i s VAL 684 Cb -0.41 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 3d3i s VAL 684 CO 0.46 0.28 -0.02 0.26 0.00 0.00 0.00 175.10 176.08 3d3i s TRP 685 N 1.15 3.02 0.43 5.22 0.52 -1.26 -0.97 118.94 127.05 3d3i s TRP 685 Ca 0.17 0.06 0.16 0.00 0.02 0.00 0.00 56.10 56.51 3d3i s TRP 685 Cb -0.14 -1.67 1.01 0.00 -1.15 0.00 0.00 33.47 31.51 3d3i s TRP 685 CO 0.07 0.43 1.97 0.28 0.02 0.00 0.00 176.95 179.72 3d3i h VAL 686 N 3.71 1.08 0.04 4.03 2.07 -1.93 -1.74 116.25 123.50 3d3i h VAL 686 Ca -0.49 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.28 3d3i h VAL 686 Cb 1.18 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 3d3i h VAL 686 CO 0.56 0.21 -0.02 -2.24 0.02 0.00 0.00 177.57 176.10 3d3i h ASP 687 N 0.00 -0.05 -0.23 0.57 2.03 -1.93 -1.07 116.42 115.74 3d3i h ASP 687 Ca -0.00 -0.49 -0.03 0.00 -0.73 0.00 0.00 57.03 55.78 3d3i h ASP 687 Cb 0.40 0.01 -0.02 0.00 -0.83 0.00 0.00 39.33 38.89 3d3i h ASP 687 CO 0.03 0.48 0.07 1.56 -1.03 0.00 0.00 179.24 180.35 3d3i h GLN 688 N -0.60 0.44 0.18 4.15 1.08 -1.92 0.45 115.11 118.90 3d3i h GLN 688 Ca -0.01 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.12 3d3i h GLN 688 Cb 0.54 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 3d3i h GLN 688 CO 0.01 0.42 -0.09 0.35 -0.95 0.00 0.00 178.83 178.57 3d3i h PHE 689 N 0.44 -0.22 -0.78 2.96 3.57 -1.27 -1.31 116.94 120.32 3d3i h PHE 689 Ca 0.10 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 3d3i h PHE 689 Cb 0.18 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.96 3d3i h PHE 689 CO 0.01 0.00 0.33 2.35 -2.23 0.00 0.00 178.31 178.76 3d3i h TRP 690 N -0.42 1.17 -0.86 0.41 7.01 -0.82 -1.44 115.95 121.00 3d3i h TRP 690 Ca -0.02 -0.08 0.05 0.00 2.11 0.00 0.00 58.89 60.95 3d3i h TRP 690 Cb 0.33 -0.35 -0.06 0.00 -2.10 0.00 0.00 29.16 26.97 3d3i h TRP 690 CO -0.01 0.88 0.54 0.74 -2.79 0.00 0.00 178.44 177.80 3d3i h PHE 691 N 1.13 1.01 -0.10 2.65 0.04 -0.80 -0.32 116.94 120.55 3d3i h PHE 691 Ca 0.26 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 61.06 3d3i h PHE 691 Cb 0.19 -0.33 -0.00 0.00 2.20 0.00 0.00 35.95 38.00 3d3i h PHE 691 CO 0.02 0.54 0.06 0.78 -0.60 0.00 0.00 178.31 179.11 3d3i h GLY 692 N 1.02 0.14 1.04 -1.45 0.00 -0.35 -0.24 103.07 103.24 3d3i h GLY 692 Ca 0.36 -0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.59 3d3i h GLY 692 CO -0.15 0.06 0.33 1.41 0.00 0.00 0.00 176.54 178.19 3d3i h LEU 693 N 0.08 1.08 -0.75 3.11 4.07 -0.84 -2.70 115.31 119.36 3d3i h LEU 693 Ca 0.03 -0.17 -0.10 0.00 0.08 0.00 0.00 57.88 57.73 3d3i h LEU 693 Cb 0.05 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.49 3d3i h LEU 693 CO -0.01 0.95 -0.11 0.11 -1.08 0.00 0.00 178.44 178.30 3d3i h LYS 694 N 1.15 0.83 -0.77 1.13 1.79 -0.93 -0.03 116.57 119.74 3d3i h LYS 694 Ca 0.27 -0.28 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 3d3i h LYS 694 Cb 0.20 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 3d3i h LYS 694 CO -0.02 0.90 0.00 0.41 -1.08 0.00 0.00 179.45 179.66 3d3i n GLY 695 N -0.40 0.39 1.03 3.86 0.00 -0.11 -0.76 105.19 109.21 3d3i n GLY 695 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.12 1.61 2.13 -0.03 -2.86 120.64 121.93 3d3i n GLU 697 Ca 0.00 0.00 0.14 0.00 0.66 0.00 0.00 57.16 57.96 3d3i n GLU 697 Cb 0.08 0.00 0.51 0.00 0.27 0.00 0.00 31.44 32.29 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 0.39 -0.70 5.31 2.43 -1.20 -1.95 114.38 118.67 3d3i h ARG 698 Ca 0.00 -0.02 -0.21 0.00 -0.81 0.00 0.00 59.98 58.94 3d3i h ARG 698 Cb 0.00 -0.09 -0.12 0.00 -0.42 0.00 0.00 29.97 29.34 3d3i h ARG 698 CO 0.00 0.26 0.25 0.66 -1.51 0.00 0.00 179.97 179.63 3d3i n TYR 699 N -4.47 2.32 -0.57 2.20 4.01 -1.13 -4.92 117.16 114.60 3d3i n TYR 699 Ca 0.12 -1.22 0.00 0.00 -0.16 0.00 0.00 57.90 56.64 3d3i n TYR 699 Cb 0.45 -0.66 0.00 0.00 -0.31 0.00 0.00 39.34 38.81 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 -0.25 0.66 2.08 2.72 0.00 -0.73 -4.97 105.19 104.71 3d3i n GLY 700 Ca 0.40 -0.53 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.57 2.85 -0.07 1.61 4.01 -1.25 -4.78 117.16 116.96 3d3i n TYR 701 Ca 0.00 -2.38 -0.00 0.00 -0.16 0.00 0.00 57.90 55.36 3d3i n TYR 701 Cb 0.00 -0.54 0.28 0.00 -0.31 0.00 0.00 39.34 38.77 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 2.15 0.69 -0.59 -0.72 2.43 -1.93 -1.78 114.38 114.63 3d3i h ARG 702 Ca 0.41 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 3d3i h ARG 702 Cb 1.40 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.80 3d3i h ARG 702 CO 0.91 0.59 0.38 -0.44 -1.51 0.00 0.00 179.97 179.90 3d3i h ASP 703 N 0.68 0.69 0.10 -3.80 3.32 -1.98 0.31 116.42 115.73 3d3i h ASP 703 Ca 0.16 -0.03 -0.11 0.00 0.02 0.00 0.00 57.03 57.06 3d3i h ASP 703 Cb 0.18 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3d3i h ASP 703 CO -0.01 0.52 -0.38 0.44 -1.72 0.00 0.00 179.24 178.09 3d3i h ASP 704 N 0.80 0.39 -0.58 6.45 3.32 -1.85 -2.42 116.42 122.52 3d3i h ASP 704 Ca 0.21 -0.16 -0.09 0.00 0.02 0.00 0.00 57.03 57.01 3d3i h ASP 704 Cb -0.06 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 3d3i h ASP 704 CO -0.04 0.74 0.02 0.00 -1.72 0.00 0.00 179.24 178.24 3d3i h ALA 705 N 1.28 0.79 -0.68 3.45 0.00 -0.76 -1.91 119.26 121.42 3d3i h ALA 705 Ca 0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 3d3i h ALA 705 Cb 0.82 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3d3i h ALA 705 CO 0.07 0.61 0.34 -0.07 0.00 0.00 0.00 179.25 180.19 3d3i h LEU 706 N 0.91 0.86 -0.32 0.00 3.38 -0.71 -0.68 115.31 118.74 3d3i h LEU 706 Ca 0.17 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3d3i h LEU 706 Cb 0.53 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3d3i h LEU 706 CO 0.03 0.71 0.09 0.11 0.09 0.00 0.00 178.44 179.47 3d3i h LYS 707 N 0.95 0.50 -0.33 1.13 1.57 -0.99 -1.48 116.57 117.92 3d3i h LYS 707 Ca 0.24 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.84 3d3i h LYS 707 Cb 0.07 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3d3i h LYS 707 CO -0.03 0.55 -0.07 -0.07 -0.57 0.00 0.00 179.45 179.26 3d3i h LEU 708 N 0.36 0.51 -0.79 2.94 3.38 -0.92 -1.29 115.31 119.50 3d3i h LEU 708 Ca 0.10 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 3d3i h LEU 708 Cb 0.26 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3d3i h LEU 708 CO -0.00 0.63 -0.07 0.00 0.09 0.00 0.00 178.44 179.09 3d3i h ALA 709 N 1.43 0.98 -0.43 1.53 0.00 -0.90 -0.08 119.26 121.80 3d3i h ALA 709 Ca 0.10 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 3d3i h ALA 709 Cb 0.43 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3d3i h ALA 709 CO 0.02 0.61 0.04 0.22 0.00 0.00 0.00 179.25 180.14 3d3i h ASP 710 N 0.77 0.71 -0.44 0.00 3.58 -0.69 0.08 116.42 120.42 3d3i h ASP 710 Ca 0.13 -0.28 0.02 0.00 0.42 0.00 0.00 57.03 57.32 3d3i h ASP 710 Cb 0.56 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.39 3d3i h ASP 710 CO 0.03 0.81 0.26 0.74 -2.88 0.00 0.00 179.24 178.21 3d3i h THR 711 N 0.57 1.05 -0.28 2.25 2.02 -0.89 -1.01 112.91 116.62 3d3i h THR 711 Ca 0.13 -0.18 0.02 0.00 0.77 0.00 0.00 66.41 67.14 3d3i h THR 711 Cb 0.43 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 3d3i h THR 711 CO 0.01 0.10 0.15 0.15 0.37 0.00 0.00 175.52 176.30 3d3i h PHE 712 N 0.53 0.27 -0.63 3.16 3.57 -0.74 0.15 116.94 123.26 3d3i h PHE 712 Ca 0.18 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 3d3i h PHE 712 Cb 0.01 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 3d3i h PHE 712 CO -0.07 0.16 0.35 0.35 -2.23 0.00 0.00 178.31 176.87 3d3i h PHE 713 N 0.31 0.85 0.00 0.41 3.57 -0.45 0.50 116.94 122.12 3d3i h PHE 713 Ca 0.11 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.52 3d3i h PHE 713 Cb 0.02 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.47 3d3i h PHE 713 CO -0.09 0.59 -0.60 0.00 -2.23 0.00 0.00 178.31 175.98 3d3i h ARG 714 N 0.88 0.00 0.00 1.11 3.08 -0.83 -3.39 114.38 115.22 3d3i h ARG 714 Ca 0.23 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.17 3d3i h ARG 714 Cb 0.02 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 3d3i h ARG 714 CO -0.04 0.32 -1.68 0.72 -1.07 0.00 0.00 179.97 178.22 3d3i n HIS 715 N -3.09 0.00 -1.90 3.04 8.25 0.01 -4.94 115.22 116.59 3d3i n HIS 715 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.04 3d3i n HIS 715 Cb 0.69 -0.42 -0.03 0.00 1.12 0.00 0.00 29.99 31.36 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 -2.59 3.11 0.32 -1.41 0.00 0.14 -4.60 121.76 116.73 3d3i s ALA 716 Ca -0.05 0.64 -0.29 0.00 0.00 0.00 0.00 51.96 52.26 3d3i s ALA 716 Cb 0.06 -3.94 -0.12 0.00 0.00 0.00 0.00 23.12 19.13 3d3i s ALA 716 CO 0.50 -2.23 1.55 1.63 0.00 0.00 0.00 175.76 177.20 3d3i n LYS 717 N 8.06 2.65 -0.92 0.00 4.76 -0.89 -3.02 118.16 128.81 3d3i n LYS 717 Ca 0.22 0.94 0.00 0.00 -2.87 0.00 0.00 58.31 56.60 3d3i n LYS 717 Cb 0.45 -2.69 0.00 0.00 -1.84 0.00 0.00 35.03 30.94 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 1.63 0.83 0.24 0.72 0.00 -1.26 -4.77 105.19 102.58 3d3i n GLY 718 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 0.22 -2.02 0.99 5.85 -1.90 -1.94 115.31 116.51 3d3i h LEU 719 Ca 0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3d3i h LEU 719 Cb 0.00 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.10 3d3i h LEU 719 CO 0.00 0.12 0.00 0.35 -0.34 0.00 0.00 178.44 178.57 3d3i n THR 720 N -5.00 0.65 -2.63 1.05 -2.24 -1.26 -4.83 114.28 100.01 3d3i n THR 720 Ca 0.09 -0.71 -0.23 0.00 -2.27 0.00 0.00 64.05 60.94 3d3i n THR 720 Cb 0.29 0.49 0.12 0.00 -2.10 0.00 0.00 70.33 69.12 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 1.12 0.24 -0.97 6.98 0.00 -0.73 -5.02 120.51 122.13 3d3i n ALA 721 Ca 0.19 -1.94 -0.05 0.00 0.00 0.00 0.00 53.44 51.63 3d3i n ALA 721 Cb 0.48 0.33 0.31 0.00 0.00 0.00 0.00 19.45 20.58 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 -2.88 4.89 -4.91 0.00 5.75 -1.26 -4.95 116.55 113.19 3d3i n ASP 722 Ca 0.16 -3.17 -0.27 0.00 -0.01 0.00 0.00 54.79 51.51 3d3i n ASP 722 Cb 0.58 -0.74 0.03 0.00 -1.03 0.00 0.00 41.12 39.96 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 -0.94 1.60 0.67 6.12 0.00 -1.26 -0.60 107.32 112.91 3d3i s GLY 723 Ca 0.54 -0.62 -0.14 0.00 0.00 0.00 0.00 44.72 44.50 3d3i s GLY 723 CO 0.14 -0.34 1.09 2.56 0.00 0.00 0.00 173.10 176.55 3d3i s PRO 724 N -5.02 2.79 0.15 2.90 0.04 -1.26 -4.86 135.00 129.74 3d3i s PRO 724 Ca 0.54 1.28 -0.30 0.00 0.04 0.00 0.00 61.00 62.56 3d3i s PRO 724 Cb -0.11 -1.96 -0.07 0.00 0.04 0.00 0.00 34.50 32.41 3d3i s PRO 724 CO 0.46 -1.25 1.18 0.42 0.04 0.00 0.00 177.00 177.86 3d3i s ILE 725 N -2.52 3.76 0.00 0.56 -1.09 -1.26 -4.62 121.20 116.03 3d3i s ILE 725 Ca 0.65 1.42 0.00 0.00 -2.23 0.00 0.00 60.65 60.48 3d3i s ILE 725 Cb -0.19 -3.91 0.00 0.00 -1.58 0.00 0.00 42.46 36.79 3d3i s ILE 725 CO 0.45 0.19 0.00 0.00 -1.23 0.00 0.00 174.94 174.35 3d3i n GLN 726 N 2.91 3.08 -0.07 2.79 6.02 -1.26 0.53 117.38 131.38 3d3i n GLN 726 Ca 0.05 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.82 3d3i n GLN 726 Cb 0.45 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.59 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 -0.11 0.66 -4.01 -1.09 1.02 -0.81 -4.63 120.64 111.67 3d3i n GLU 727 Ca 0.00 0.33 -0.15 0.00 -0.02 0.00 0.00 57.16 57.32 3d3i n GLU 727 Cb 0.00 -1.65 -0.03 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 -3.84 -1.46 -4.03 1.62 0.23 -0.73 -4.37 115.26 102.69 3d3i n ASN 728 Ca -0.38 -2.91 -0.13 0.00 -0.53 0.00 0.00 54.58 50.62 3d3i n ASN 728 Cb 0.91 2.69 -0.12 0.00 -2.08 0.00 0.00 39.78 41.17 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 -2.83 0.57 0.06 -2.53 2.02 -0.14 -2.29 117.35 112.21 3d3i s TYR 729 Ca 0.29 -0.40 -0.31 0.00 -0.37 0.00 0.00 57.07 56.28 3d3i s TYR 729 Cb -0.01 -0.35 -0.06 0.00 -0.40 0.00 0.00 41.96 41.14 3d3i s TYR 729 CO 0.21 -0.07 1.21 1.21 -1.57 0.00 0.00 175.55 176.53 3d3i s ASN 730 N -1.20 7.06 0.45 2.29 3.84 -0.20 -0.20 114.94 126.97 3d3i s ASN 730 Ca -0.08 2.03 0.30 0.00 0.21 0.00 0.00 52.86 55.33 3d3i s ASN 730 Cb -0.08 -2.58 1.25 0.00 -0.55 0.00 0.00 41.25 39.29 3d3i s ASN 730 CO 0.00 -0.49 1.89 1.55 -2.79 0.00 0.00 177.10 177.27 3d3i h PRO 731 N 6.83 0.00 0.00 0.43 0.13 -1.77 0.28 132.00 137.90 3d3i h PRO 731 Ca -0.41 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.38 3d3i h PRO 731 Cb 1.21 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.28 3d3i h PRO 731 CO 0.82 0.00 -2.19 1.28 -0.23 0.00 0.00 178.00 177.67 3d3i n LEU 732 N -2.79 0.22 -0.00 1.56 4.77 -1.26 -1.79 117.00 117.72 3d3i n LEU 732 Ca 0.01 0.11 0.01 0.00 -0.03 0.00 0.00 56.01 56.11 3d3i n LEU 732 Cb 0.28 0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 41.73 3d3i n LEU 732 CO 0.24 0.45 -0.56 0.35 -1.33 0.00 0.00 177.39 176.55 3d3i n THR 733 N -2.80 0.05 -0.82 -5.08 -2.24 -1.22 -4.75 114.28 97.42 3d3i n THR 733 Ca -0.28 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 3d3i n THR 733 Cb 1.11 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 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 2.40 0.79 3.76 3.38 0.00 0.98 -4.83 105.19 111.67 3d3i n GLY 734 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.02 3.57 0.40 4.61 0.00 -1.26 -2.08 121.76 123.97 3d3i s ALA 735 Ca 0.00 1.33 -0.12 0.00 0.00 0.00 0.00 51.96 53.17 3d3i s ALA 735 Cb 0.00 -3.53 -0.07 0.00 0.00 0.00 0.00 23.12 19.52 3d3i s ALA 735 CO 0.00 -0.74 0.78 -0.65 0.00 0.00 0.00 175.76 175.15 3d3i s GLN 736 N -1.17 3.85 0.06 0.00 -0.21 -1.26 -1.04 119.66 119.89 3d3i s GLN 736 Ca 0.54 0.57 -0.19 0.00 0.02 0.00 0.00 55.36 56.31 3d3i s GLN 736 Cb -0.42 -2.37 0.04 0.00 1.00 0.00 0.00 33.01 31.26 3d3i s GLN 736 CO 0.50 -0.01 0.43 -0.65 -2.12 0.00 0.00 175.29 173.44 3d3i s GLN 737 N -3.66 0.97 0.00 2.91 -0.21 -0.97 -4.98 119.66 113.71 3d3i s GLN 737 Ca 0.53 -0.39 0.00 0.00 0.02 0.00 0.00 55.36 55.51 3d3i s GLN 737 Cb -0.10 0.43 0.00 0.00 1.00 0.00 0.00 33.01 34.34 3d3i s GLN 737 CO 0.28 -0.34 0.00 0.41 -2.12 0.00 0.00 175.29 173.51 3d3i n GLY 738 N 0.36 2.12 3.76 3.09 0.00 -1.26 -1.77 105.19 111.50 3d3i n GLY 738 Ca -0.18 -2.12 -0.41 0.00 0.00 0.00 0.00 46.02 43.30 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 -1.92 3.59 0.49 4.61 0.00 -1.26 -4.54 121.76 122.72 3d3i s ALA 739 Ca 0.00 1.42 -0.21 0.00 0.00 0.00 0.00 51.96 53.18 3d3i s ALA 739 Cb 0.00 -3.56 -0.08 0.00 0.00 0.00 0.00 23.12 19.48 3d3i s ALA 739 CO 0.00 -0.85 1.08 -1.25 0.00 0.00 0.00 175.76 174.74 3d3i s PRO 740 N -1.38 3.74 -1.09 0.00 0.04 -1.26 -3.69 135.00 131.36 3d3i s PRO 740 Ca 0.55 1.49 -0.06 0.00 0.04 0.00 0.00 61.00 63.02 3d3i s PRO 740 Cb -0.44 -2.17 0.01 0.00 0.04 0.00 0.00 34.50 31.94 3d3i s PRO 740 CO 0.53 -0.51 0.94 0.09 0.04 0.00 0.00 177.00 178.10 3d3i n ASN 741 N -0.87 -4.91 -4.65 6.66 4.13 0.19 -4.59 115.26 111.22 3d3i n ASN 741 Ca 0.09 -0.45 -0.43 0.00 1.68 0.00 0.00 54.58 55.47 3d3i n ASN 741 Cb 0.51 -4.23 -0.02 0.00 -1.54 0.00 0.00 39.78 34.50 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 -3.27 2.69 0.11 3.10 5.36 -0.48 -4.28 117.98 121.21 3d3i s PHE 742 Ca 0.39 0.88 -0.27 0.00 -0.96 0.00 0.00 56.93 56.97 3d3i s PHE 742 Cb -0.17 -3.70 -0.10 0.00 -0.34 0.00 0.00 43.02 38.71 3d3i s PHE 742 CO 0.60 -1.90 1.65 0.77 -1.46 0.00 0.00 175.22 174.87 3d3i h SER 743 N 8.85 -0.68 0.53 6.13 0.02 -0.52 -2.25 113.55 125.64 3d3i h SER 743 Ca -0.27 0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.72 3d3i h SER 743 Cb 1.11 0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.89 3d3i h SER 743 CO 0.99 -0.34 -0.16 4.11 -1.14 0.00 0.00 176.83 180.29 3d3i h TRP 744 N -0.47 0.00 -0.23 3.45 0.09 -1.89 0.13 115.95 117.03 3d3i h TRP 744 Ca 0.02 0.00 -0.11 0.00 0.09 0.00 0.00 58.89 58.88 3d3i h TRP 744 Cb 0.48 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.71 3d3i h TRP 744 CO -0.20 0.16 -0.30 0.77 0.09 0.00 0.00 178.44 178.95 3d3i h SER 745 N 0.00 0.67 -0.77 0.11 0.02 -1.80 -2.06 113.55 109.72 3d3i h SER 745 Ca -0.00 -0.50 0.02 0.00 -0.84 0.00 0.00 61.79 60.47 3d3i h SER 745 Cb 0.47 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.78 3d3i h SER 745 CO 0.02 1.04 0.50 0.00 -1.14 0.00 0.00 176.83 177.25 3d3i h ALA 746 N 0.65 0.99 -0.36 3.77 0.00 -0.65 0.67 119.26 124.34 3d3i h ALA 746 Ca 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3d3i h ALA 746 Cb 0.88 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3d3i h ALA 746 CO 0.07 0.35 0.20 0.00 0.00 0.00 0.00 179.25 179.87 3d3i h ALA 747 N 1.30 0.46 0.00 0.00 0.00 -0.64 -1.48 119.26 118.90 3d3i h ALA 747 Ca 0.29 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 3d3i h ALA 747 Cb -0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3d3i h ALA 747 CO -0.08 -0.02 -0.23 0.45 0.00 0.00 0.00 179.25 179.37 3d3i h HIS 748 N 0.45 0.00 -0.29 0.00 3.86 -1.12 -2.98 115.15 115.07 3d3i h HIS 748 Ca 0.13 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.17 3d3i h HIS 748 Cb 0.05 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 3d3i h HIS 748 CO -0.03 0.23 -0.46 -0.07 0.86 0.00 0.00 177.93 178.46 3d3i h LEU 749 N 0.00 0.85 -1.53 2.43 3.38 -0.62 -0.20 115.31 119.62 3d3i h LEU 749 Ca -0.00 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.55 3d3i h LEU 749 Cb 1.06 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.57 3d3i h LEU 749 CO 0.03 1.18 0.00 0.00 0.09 0.00 0.00 178.44 179.74 3d3i n TYR 750 N -4.02 0.00 0.00 1.13 9.36 -0.58 -1.11 117.16 121.95 3d3i n TYR 750 Ca -0.03 -0.05 0.00 0.00 3.32 0.00 0.00 57.90 61.15 3d3i n TYR 750 Cb 0.57 -0.07 0.00 0.00 -0.63 0.00 0.00 39.34 39.21 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 0.68 0.00 -0.17 2.98 4.77 -0.09 -1.79 117.00 123.38 3d3i n LEU 752 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 3d3i n LEU 752 Cb 0.07 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.20 3d3i n LEU 752 CO 0.00 0.00 1.04 0.22 -1.33 0.00 0.00 177.39 177.32 3d3i h TYR 753 N 0.00 0.52 0.02 -1.77 3.20 -1.38 0.17 116.97 117.73 3d3i h TYR 753 Ca 0.00 0.02 -0.25 0.00 3.14 0.00 0.00 58.73 61.64 3d3i h TYR 753 Cb 0.00 -0.16 0.01 0.00 1.54 0.00 0.00 36.73 38.12 3d3i h TYR 753 CO 0.00 0.27 -1.02 -0.97 -1.64 0.00 0.00 178.16 174.80 3d3i h ASN 754 N 0.55 0.66 0.16 -2.11 -0.00 -1.63 -3.35 115.58 109.86 3d3i h ASN 754 Ca 0.21 -0.54 -0.36 0.00 -0.00 0.00 0.00 56.30 55.61 3d3i h ASN 754 Cb 0.08 -0.20 -0.04 0.00 -0.00 0.00 0.00 38.32 38.16 3d3i h ASN 754 CO -0.13 1.35 -2.07 0.47 -0.00 0.00 0.00 177.43 177.06 3d3i n ASP 755 N -3.76 1.70 0.00 1.15 8.00 -1.16 -4.84 116.55 117.64 3d3i n ASP 755 Ca -0.09 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.58 3d3i n ASP 755 Cb 0.87 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 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 -3.30 0.00 -2.79 1.24 3.72 0.41 -5.04 117.46 111.70 3d3i n PHE 756 Ca -0.32 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.70 3d3i n PHE 756 Cb 1.05 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.52 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 -0.91 3.79 -0.05 1.38 0.08 -0.11 -4.75 117.98 117.42 3d3i s PHE 757 Ca 0.00 1.81 -0.30 0.00 0.12 0.00 0.00 56.93 58.55 3d3i s PHE 757 Cb 0.00 -2.92 0.11 0.00 -0.57 0.00 0.00 43.02 39.64 3d3i s PHE 757 CO 0.00 0.30 0.99 -0.98 -0.10 0.00 0.00 175.22 175.43 3d3i s ARG 758 N -1.74 0.69 0.00 0.44 3.03 -1.26 -4.45 118.95 115.65 3d3i s ARG 758 Ca 0.47 -0.27 0.08 0.00 2.03 0.00 0.00 55.73 58.03 3d3i s ARG 758 Cb -0.21 0.31 0.46 0.00 -1.03 0.00 0.00 34.95 34.48 3d3i s ARG 758 CO 0.26 -0.30 0.92 1.17 -1.13 0.00 0.00 175.30 176.22