#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ia7 n GLN 3 N 0.00 1.95 -4.26 2.89 7.27 -1.26 -4.95 117.38 119.02 3ia7 n GLN 3 Ca 0.00 0.71 -0.28 0.00 0.07 0.00 0.00 57.00 57.50 3ia7 n GLN 3 Cb 0.00 -2.49 -0.09 0.00 2.41 0.00 0.00 30.24 30.07 3ia7 n GLN 3 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 3ia7 s ARG 4 N 2.35 2.10 -0.38 3.69 1.81 -1.26 -4.96 118.95 122.30 3ia7 s ARG 4 Ca 0.87 -1.18 -0.16 0.00 -1.72 0.00 0.00 55.73 53.54 3ia7 s ARG 4 Cb -0.75 -2.22 0.00 0.00 -0.45 0.00 0.00 34.95 31.53 3ia7 s ARG 4 CO 0.47 0.46 0.41 -1.58 -0.68 0.00 0.00 175.30 174.38 3ia7 s HIS 5 N -1.54 3.19 -0.18 -0.53 5.65 -1.26 -1.35 115.29 119.28 3ia7 s HIS 5 Ca 0.24 -0.17 -0.01 0.00 0.25 0.00 0.00 55.06 55.37 3ia7 s HIS 5 Cb -0.10 -2.80 0.00 0.00 -1.18 0.00 0.00 32.58 28.51 3ia7 s HIS 5 CO 0.15 -0.57 -0.13 0.42 -0.65 0.00 0.00 174.74 173.96 3ia7 s ILE 6 N 2.11 2.72 -0.19 0.89 1.01 1.00 -0.33 121.20 128.41 3ia7 s ILE 6 Ca 0.12 -0.73 -0.09 0.00 0.00 0.00 0.00 60.65 59.95 3ia7 s ILE 6 Cb -0.17 -2.17 -0.05 0.00 0.01 0.00 0.00 42.46 40.08 3ia7 s ILE 6 CO 0.13 0.50 0.11 -0.22 0.00 0.00 0.00 174.94 175.45 3ia7 s LEU 7 N 1.07 4.07 -0.21 2.97 2.96 -0.24 -1.57 118.68 127.72 3ia7 s LEU 7 Ca -0.00 0.19 -0.08 0.00 -0.22 0.00 0.00 54.13 54.01 3ia7 s LEU 7 Cb -0.15 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.46 3ia7 s LEU 7 CO -0.04 0.19 0.10 -0.36 -1.32 0.00 0.00 176.35 174.92 3ia7 s PHE 8 N 0.31 3.24 -0.24 5.38 0.40 0.62 0.74 117.98 128.43 3ia7 s PHE 8 Ca 0.07 0.02 -0.06 0.00 -0.60 0.00 0.00 56.93 56.36 3ia7 s PHE 8 Cb -0.11 -2.17 -0.02 0.00 0.51 0.00 0.00 43.02 41.22 3ia7 s PHE 8 CO -0.01 0.02 0.03 0.00 0.70 0.00 0.00 175.22 175.96 3ia7 s ALA 9 N 0.85 3.04 0.04 5.36 0.00 0.47 -0.70 121.76 130.82 3ia7 s ALA 9 Ca 0.05 -1.13 -0.03 0.00 0.00 0.00 0.00 51.96 50.85 3ia7 s ALA 9 Cb -0.13 -1.93 -0.02 0.00 0.00 0.00 0.00 23.12 21.03 3ia7 s ALA 9 CO 0.03 -0.44 0.03 1.21 0.00 0.00 0.00 175.76 176.58 3ia7 s ASN 10 N 1.52 0.31 0.58 0.00 3.84 -1.18 -1.55 114.94 118.46 3ia7 s ASN 10 Ca 0.06 -0.73 -0.08 0.00 0.21 0.00 0.00 52.86 52.32 3ia7 s ASN 10 Cb -0.15 0.20 -0.01 0.00 -0.55 0.00 0.00 41.25 40.74 3ia7 s ASN 10 CO 0.01 -0.52 0.92 0.54 -2.79 0.00 0.00 177.10 175.26 3ia7 s VAL 11 N -3.03 4.25 0.63 -5.21 0.11 -1.26 -4.56 120.40 111.32 3ia7 s VAL 11 Ca -0.01 0.32 -0.12 0.00 -2.93 0.00 0.00 61.98 59.24 3ia7 s VAL 11 Cb 0.01 -3.67 -0.03 0.00 -1.53 0.00 0.00 36.38 31.16 3ia7 s VAL 11 CO -0.07 -0.76 1.04 0.00 -3.33 0.00 0.00 175.10 171.99 3ia7 s GLN 12 N -5.01 3.37 0.00 1.54 -2.07 -1.26 -4.53 119.66 111.69 3ia7 s GLN 12 Ca 0.53 0.91 0.00 0.00 -1.82 0.00 0.00 55.36 54.98 3ia7 s GLN 12 Cb -0.11 -2.05 0.00 0.00 -1.09 0.00 0.00 33.01 29.77 3ia7 s GLN 12 CO 0.48 -0.76 0.00 0.41 -1.32 0.00 0.00 175.29 174.10 3ia7 n GLY 13 N -2.08 4.05 0.29 2.60 0.00 -1.26 -4.83 105.19 103.95 3ia7 n GLY 13 Ca 0.07 -1.20 -0.01 0.00 0.00 0.00 0.00 46.02 44.88 3ia7 n GLY 13 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3ia7 h HIS 14 N 0.00 0.85 0.00 1.61 2.76 -1.98 0.23 115.15 118.61 3ia7 h HIS 14 Ca 0.00 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 3ia7 h HIS 14 Cb 0.00 -0.27 -0.00 0.00 1.55 0.00 0.00 27.41 28.69 3ia7 h HIS 14 CO 0.00 0.44 -0.06 0.78 -1.30 0.00 0.00 177.93 177.79 3ia7 h GLY 15 N 0.86 0.00 0.15 5.26 0.00 -1.98 -0.54 103.07 106.82 3ia7 h GLY 15 Ca 0.33 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 47.28 3ia7 h GLY 15 CO -0.16 0.00 -2.35 1.42 0.00 0.00 0.00 176.54 175.45 3ia7 n HIS 16 N -3.29 0.27 -0.03 5.60 -0.00 -0.70 -4.60 115.22 112.46 3ia7 n HIS 16 Ca -0.01 0.06 -0.15 0.00 -0.00 0.00 0.00 57.72 57.62 3ia7 n HIS 16 Cb 0.24 -1.04 -0.12 0.00 -0.00 0.00 0.00 29.99 29.07 3ia7 n HIS 16 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3ia7 h VAL 17 N 0.01 1.62 -0.15 1.59 2.07 -0.79 -3.38 116.25 117.22 3ia7 h VAL 17 Ca -0.53 -2.10 0.01 0.00 0.82 0.00 0.00 66.70 64.89 3ia7 h VAL 17 Cb 1.99 2.99 -0.01 0.00 -1.52 0.00 0.00 31.29 34.74 3ia7 h VAL 17 CO -0.03 0.56 0.08 0.22 0.02 0.00 0.00 177.57 178.42 3ia7 h TYR 18 N -0.66 0.15 -0.09 1.57 3.20 -1.33 -2.29 116.97 117.53 3ia7 h TYR 18 Ca -0.03 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.87 3ia7 h TYR 18 Cb 1.04 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 39.26 3ia7 h TYR 18 CO 0.21 0.09 0.07 -1.35 -1.64 0.00 0.00 178.16 175.54 3ia7 h PRO 19 N 0.17 0.00 0.00 1.82 0.11 -1.79 -1.81 132.00 130.50 3ia7 h PRO 19 Ca 0.06 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.10 3ia7 h PRO 19 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 3ia7 h PRO 19 CO -0.03 0.00 -0.34 0.66 -0.21 0.00 0.00 178.00 178.07 3ia7 h SER 20 N 0.00 0.00 -0.54 -2.05 4.64 -1.59 -3.36 113.55 110.65 3ia7 h SER 20 Ca 0.04 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.24 3ia7 h SER 20 Cb 0.17 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 3ia7 h SER 20 CO -0.00 0.34 -0.12 -0.07 -0.87 0.00 0.00 176.83 176.12 3ia7 h LEU 21 N 0.00 1.04 -0.60 5.97 3.38 -1.24 -1.82 115.31 122.04 3ia7 h LEU 21 Ca -0.00 -0.36 0.11 0.00 0.09 0.00 0.00 57.88 57.72 3ia7 h LEU 21 Cb 0.85 -0.28 -0.08 0.00 0.09 0.00 0.00 40.66 41.23 3ia7 h LEU 21 CO 0.04 1.15 0.13 1.23 0.09 0.00 0.00 178.44 181.09 3ia7 h GLY 22 N 0.91 0.76 0.94 0.83 0.00 -1.74 -1.06 103.07 103.72 3ia7 h GLY 22 Ca 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 3ia7 h GLY 22 CO 0.05 -0.11 0.17 -2.00 0.00 0.00 0.00 176.54 174.65 3ia7 h LEU 23 N 0.26 0.47 -0.25 3.11 5.85 -1.66 -1.77 115.31 121.32 3ia7 h LEU 23 Ca 0.31 -0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.96 3ia7 h LEU 23 Cb 0.46 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.29 3ia7 h LEU 23 CO -0.40 0.47 -0.30 0.58 -0.34 0.00 0.00 178.44 178.45 3ia7 h VAL 24 N 0.44 0.30 -0.68 1.05 2.07 -0.88 -0.92 116.25 117.62 3ia7 h VAL 24 Ca 0.12 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.62 3ia7 h VAL 24 Cb 0.13 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 3ia7 h VAL 24 CO -0.01 0.00 0.35 0.28 0.02 0.00 0.00 177.57 178.21 3ia7 h SER 25 N -0.31 0.88 -0.64 0.57 0.02 -1.10 -0.97 113.55 111.99 3ia7 h SER 25 Ca 0.13 -0.11 -0.09 0.00 -0.84 0.00 0.00 61.79 60.88 3ia7 h SER 25 Cb 0.52 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 3ia7 h SER 25 CO -0.42 0.74 0.05 -0.08 -1.14 0.00 0.00 176.83 175.98 3ia7 h GLU 26 N 0.94 1.09 -0.38 3.45 4.57 -1.12 0.15 114.58 123.29 3ia7 h GLU 26 Ca 0.24 -0.32 -0.03 0.00 -1.18 0.00 0.00 59.36 58.06 3ia7 h GLU 26 Cb 0.08 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 3ia7 h GLU 26 CO -0.03 1.04 0.11 -0.07 -1.18 0.00 0.00 179.01 178.87 3ia7 h LEU 27 N 1.01 0.56 -0.77 1.64 3.38 -0.98 -2.36 115.31 117.78 3ia7 h LEU 27 Ca 0.19 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.99 3ia7 h LEU 27 Cb 0.51 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 3ia7 h LEU 27 CO 0.02 0.62 0.48 0.00 0.09 0.00 0.00 178.44 179.65 3ia7 h ALA 28 N 0.96 1.02 -0.68 1.53 0.00 -0.94 -1.96 119.26 119.20 3ia7 h ALA 28 Ca 0.12 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.09 3ia7 h ALA 28 Cb 0.27 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3ia7 h ALA 28 CO -0.00 0.25 0.45 0.00 0.00 0.00 0.00 179.25 179.94 3ia7 h ARG 29 N 0.91 0.63 0.00 0.00 3.08 -0.48 -0.73 114.38 117.80 3ia7 h ARG 29 Ca 0.32 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.33 3ia7 h ARG 29 Cb 0.08 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.99 3ia7 h ARG 29 CO -0.14 0.42 0.00 0.54 -1.07 0.00 0.00 179.97 179.72 3ia7 n ARG 30 N -4.48 0.97 -0.11 0.04 1.74 -0.77 -4.89 116.66 109.15 3ia7 n ARG 30 Ca 0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 3ia7 n ARG 30 Cb 0.26 -1.18 0.00 0.00 -1.02 0.00 0.00 32.46 30.52 3ia7 n ARG 30 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ia7 n GLY 31 N 0.64 0.57 3.76 -0.13 0.00 -0.28 -4.87 105.19 104.88 3ia7 n GLY 31 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 3ia7 n GLY 31 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ia7 s HIS 32 N -2.29 3.42 -0.33 1.61 3.76 -0.98 -4.66 115.29 115.81 3ia7 s HIS 32 Ca 0.00 1.65 -0.25 0.00 -0.15 0.00 0.00 55.06 56.31 3ia7 s HIS 32 Cb 0.00 -3.29 0.01 0.00 1.11 0.00 0.00 32.58 30.41 3ia7 s HIS 32 CO 0.00 -0.74 0.89 0.50 -0.85 0.00 0.00 174.74 174.54 3ia7 s ARG 33 N -1.78 3.92 -0.19 1.40 3.52 -0.45 -4.29 118.95 121.09 3ia7 s ARG 33 Ca 0.49 0.66 -0.05 0.00 -0.13 0.00 0.00 55.73 56.70 3ia7 s ARG 33 Cb -0.30 -3.76 -0.02 0.00 -1.56 0.00 0.00 34.95 29.30 3ia7 s ARG 33 CO 0.39 -0.83 -0.01 0.42 -0.81 0.00 0.00 175.30 174.46 3ia7 s ILE 34 N 3.28 3.91 0.01 4.11 -1.09 -1.26 -0.00 121.20 130.16 3ia7 s ILE 34 Ca 0.37 -0.33 0.05 0.00 -2.23 0.00 0.00 60.65 58.50 3ia7 s ILE 34 Cb -0.13 -2.76 -0.03 0.00 -1.58 0.00 0.00 42.46 37.96 3ia7 s ILE 34 CO 0.15 0.44 -0.12 -0.89 -1.23 0.00 0.00 174.94 173.29 3ia7 s THR 35 N 0.89 3.23 -0.07 2.92 2.01 -0.61 -0.69 115.64 123.32 3ia7 s THR 35 Ca 0.01 -0.94 -0.03 0.00 0.31 0.00 0.00 61.69 61.04 3ia7 s THR 35 Cb -0.14 -2.37 0.04 0.00 0.01 0.00 0.00 72.50 70.03 3ia7 s THR 35 CO 0.02 0.39 0.12 -0.47 -0.69 0.00 0.00 174.62 173.99 3ia7 s TYR 36 N -0.94 -0.10 -0.24 4.92 5.04 0.53 -0.28 117.35 126.29 3ia7 s TYR 36 Ca 0.15 0.48 -0.24 0.00 -2.44 0.00 0.00 57.07 55.03 3ia7 s TYR 36 Cb -0.11 -0.31 -0.01 0.00 0.35 0.00 0.00 41.96 41.88 3ia7 s TYR 36 CO 0.06 -0.23 0.79 0.08 -1.34 0.00 0.00 175.55 174.90 3ia7 s VAL 37 N 2.14 4.88 0.21 3.14 1.01 0.12 -1.16 120.40 130.74 3ia7 s VAL 37 Ca 0.02 1.48 -0.06 0.00 0.00 0.00 0.00 61.98 63.42 3ia7 s VAL 37 Cb -0.12 -4.08 0.02 0.00 0.00 0.00 0.00 36.38 32.21 3ia7 s VAL 37 CO -0.05 -0.04 0.39 1.07 0.00 0.00 0.00 175.10 176.48 3ia7 n THR 38 N 5.17 0.00 -3.41 3.92 5.66 -0.61 -3.12 114.28 121.88 3ia7 n THR 38 Ca 0.04 -0.68 -0.19 0.00 -3.05 0.00 0.00 64.05 60.17 3ia7 n THR 38 Cb 0.48 0.57 -0.01 0.00 -1.55 0.00 0.00 70.33 69.82 3ia7 n THR 38 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3ia7 s THR 39 N -2.54 3.23 0.47 1.09 -4.23 -1.26 -1.08 115.64 111.32 3ia7 s THR 39 Ca 0.11 -1.16 0.19 0.00 -1.18 0.00 0.00 61.69 59.65 3ia7 s THR 39 Cb -0.02 -3.12 0.37 0.00 1.34 0.00 0.00 72.50 71.07 3ia7 s THR 39 CO 0.08 -0.07 1.96 -0.65 -0.54 0.00 0.00 174.62 175.40 3ia7 h PRO 40 N 0.91 0.25 -0.60 3.99 0.11 -1.98 -1.86 132.00 132.82 3ia7 h PRO 40 Ca -0.42 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.76 3ia7 h PRO 40 Cb 1.27 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 3ia7 h PRO 40 CO 0.52 0.16 0.40 1.25 -0.21 0.00 0.00 178.00 180.13 3ia7 h LEU 41 N 0.26 0.38 -2.26 2.35 5.85 -1.97 -2.57 115.31 117.34 3ia7 h LEU 41 Ca 0.31 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.04 3ia7 h LEU 41 Cb 0.87 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.82 3ia7 h LEU 41 CO -0.07 0.23 0.00 0.49 -0.34 0.00 0.00 178.44 178.75 3ia7 n PHE 42 N -4.47 0.23 -0.22 1.25 3.72 -0.80 -4.74 117.46 112.43 3ia7 n PHE 42 Ca 0.10 -0.29 -0.06 0.00 -0.05 0.00 0.00 57.45 57.14 3ia7 n PHE 42 Cb 0.36 -0.02 0.04 0.00 -0.94 0.00 0.00 39.48 38.92 3ia7 n PHE 42 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ia7 h ALA 43 N 1.81 0.80 -0.68 4.37 0.00 -0.93 -1.92 119.26 122.72 3ia7 h ALA 43 Ca 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3ia7 h ALA 43 Cb 0.58 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3ia7 h ALA 43 CO 0.00 0.29 0.28 -0.44 0.00 0.00 0.00 179.25 179.38 3ia7 h ASP 44 N 0.85 0.93 -0.52 0.00 3.32 -1.85 -1.56 116.42 117.59 3ia7 h ASP 44 Ca 0.22 -0.17 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 3ia7 h ASP 44 Cb -0.00 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 3ia7 h ASP 44 CO -0.04 0.84 0.03 -0.33 -1.72 0.00 0.00 179.24 178.03 3ia7 h GLU 45 N 0.96 0.89 -0.36 3.56 3.07 -1.81 -1.06 114.58 119.83 3ia7 h GLU 45 Ca 0.23 -0.27 -0.16 0.00 -0.50 0.00 0.00 59.36 58.67 3ia7 h GLU 45 Cb 0.20 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 3ia7 h GLU 45 CO -0.02 0.90 -0.39 0.28 -1.40 0.00 0.00 179.01 178.38 3ia7 h VAL 46 N 0.76 1.28 -0.53 3.13 2.07 -1.26 -2.30 116.25 119.40 3ia7 h VAL 46 Ca 0.15 -1.56 -0.03 0.00 0.82 0.00 0.00 66.70 66.08 3ia7 h VAL 46 Cb 0.48 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 3ia7 h VAL 46 CO 0.02 0.52 0.21 0.11 0.02 0.00 0.00 177.57 178.45 3ia7 h LYS 47 N 0.71 0.80 -0.06 1.57 1.57 -1.10 -2.34 116.57 117.72 3ia7 h LYS 47 Ca 0.06 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 3ia7 h LYS 47 Cb 0.97 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 3ia7 h LYS 47 CO 0.09 0.70 -0.13 0.00 -0.57 0.00 0.00 179.45 179.54 3ia7 h ALA 48 N 1.06 1.67 0.00 3.86 0.00 -1.07 -1.51 119.26 123.27 3ia7 h ALA 48 Ca 0.18 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ia7 h ALA 48 Cb 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3ia7 h ALA 48 CO -0.01 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.48 3ia7 n ALA 49 N -2.50 1.74 0.00 0.00 0.00 -0.88 -4.89 120.51 113.98 3ia7 n ALA 49 Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ia7 n ALA 49 Cb 0.23 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.34 3ia7 n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ia7 n GLY 50 N 0.17 1.12 3.87 0.00 0.00 -0.57 -3.56 105.19 106.22 3ia7 n GLY 50 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 3ia7 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ia7 s ALA 51 N -2.00 3.83 0.35 4.61 0.00 -0.96 -4.64 121.76 122.95 3ia7 s ALA 51 Ca 0.00 -0.92 -0.25 0.00 0.00 0.00 0.00 51.96 50.79 3ia7 s ALA 51 Cb 0.00 -1.67 -0.10 0.00 0.00 0.00 0.00 23.12 21.35 3ia7 s ALA 51 CO 0.00 0.78 0.94 -1.21 0.00 0.00 0.00 175.76 176.27 3ia7 s GLU 52 N -2.52 4.50 -0.10 0.00 2.02 0.13 -3.82 118.70 118.91 3ia7 s GLU 52 Ca 0.33 1.27 -0.01 0.00 0.02 0.00 0.00 54.97 56.58 3ia7 s GLU 52 Cb -0.13 -2.65 -0.03 0.00 0.10 0.00 0.00 34.13 31.43 3ia7 s GLU 52 CO 0.26 0.20 -0.03 0.08 0.02 0.00 0.00 175.26 175.79 3ia7 s VAL 53 N -1.76 4.01 -0.26 2.63 1.01 -1.26 -0.35 120.40 124.42 3ia7 s VAL 53 Ca 0.53 -0.35 -0.04 0.00 0.00 0.00 0.00 61.98 62.12 3ia7 s VAL 53 Cb -0.16 -2.69 0.01 0.00 0.00 0.00 0.00 36.38 33.54 3ia7 s VAL 53 CO 0.21 0.58 0.00 -0.69 0.00 0.00 0.00 175.10 175.20 3ia7 s VAL 54 N -0.56 3.41 0.29 2.92 1.01 -0.31 -4.89 120.40 122.27 3ia7 s VAL 54 Ca 0.09 -0.82 -0.26 0.00 0.00 0.00 0.00 61.98 60.99 3ia7 s VAL 54 Cb -0.12 -2.72 -0.09 0.00 0.00 0.00 0.00 36.38 33.45 3ia7 s VAL 54 CO 0.02 0.17 0.91 -0.76 0.00 0.00 0.00 175.10 175.45 3ia7 s LEU 55 N 1.42 4.40 0.20 3.92 1.43 -1.26 -1.58 118.68 127.21 3ia7 s LEU 55 Ca 0.02 1.80 0.06 0.00 -1.03 0.00 0.00 54.13 54.98 3ia7 s LEU 55 Cb -0.17 -3.87 -0.05 0.00 0.03 0.00 0.00 46.19 42.13 3ia7 s LEU 55 CO -0.01 -0.01 -0.10 -0.72 0.23 0.00 0.00 176.35 175.74 3ia7 s TYR 56 N -1.52 1.60 -0.31 0.29 -0.85 -0.24 -4.90 117.35 111.43 3ia7 s TYR 56 Ca 0.47 -0.69 -0.12 0.00 -0.52 0.00 0.00 57.07 56.21 3ia7 s TYR 56 Cb -0.20 -0.81 -0.03 0.00 0.38 0.00 0.00 41.96 41.30 3ia7 s TYR 56 CO 0.25 0.22 0.22 0.21 -1.52 0.00 0.00 175.55 174.93 3ia7 s LYS 57 N -3.71 3.73 0.15 -3.49 2.47 -1.26 -4.37 119.74 113.24 3ia7 s LYS 57 Ca 0.23 -0.47 -0.30 0.00 -1.56 0.00 0.00 55.97 53.87 3ia7 s LYS 57 Cb 0.02 -3.73 -0.07 0.00 -1.46 0.00 0.00 37.83 32.58 3ia7 s LYS 57 CO 0.06 -0.32 1.03 0.45 0.16 0.00 0.00 175.35 176.74 3ia7 s SER 58 N 1.74 7.38 0.62 1.43 0.15 -1.26 -4.90 113.70 118.86 3ia7 s SER 58 Ca 0.07 1.95 0.31 0.00 0.70 0.00 0.00 55.95 58.98 3ia7 s SER 58 Cb -0.17 -2.60 1.71 0.00 -1.71 0.00 0.00 66.02 63.26 3ia7 s SER 58 CO 0.11 -0.14 2.04 -0.33 1.20 0.00 0.00 173.24 176.12 3ia7 h GLU 59 N 5.33 0.00 -0.00 5.44 4.39 -1.93 -2.56 114.58 125.25 3ia7 h GLU 59 Ca -0.44 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.26 3ia7 h GLU 59 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 3ia7 h GLU 59 CO 0.72 0.00 -0.02 1.19 -1.16 0.00 0.00 179.01 179.74 3ia7 n PHE 60 N -3.43 0.00 -0.20 4.33 3.72 -1.26 -1.06 117.46 119.55 3ia7 n PHE 60 Ca 0.01 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.32 3ia7 n PHE 60 Cb 0.38 -0.11 0.02 0.00 -0.94 0.00 0.00 39.48 38.83 3ia7 n PHE 60 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3ia7 h ASP 61 N 0.38 1.05 0.00 4.37 5.19 -1.86 -3.36 116.42 122.18 3ia7 h ASP 61 Ca 0.00 -0.32 0.00 0.00 -0.62 0.00 0.00 57.03 56.09 3ia7 h ASP 61 Cb 0.20 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 39.43 3ia7 h ASP 61 CO 0.00 1.12 -0.77 0.35 -3.12 0.00 0.00 179.24 176.82 3ia7 n THR 62 N -4.18 0.00 -2.59 0.35 -2.24 -1.13 -4.58 114.28 99.91 3ia7 n THR 62 Ca 0.02 -0.24 -0.43 0.00 -2.27 0.00 0.00 64.05 61.13 3ia7 n THR 62 Cb 0.37 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 3ia7 n THR 62 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3ia7 n PHE 63 N -1.42 3.43 0.03 4.78 7.35 -0.22 -4.06 117.46 127.36 3ia7 n PHE 63 Ca -0.00 -2.94 0.00 0.00 -0.76 0.00 0.00 57.45 53.75 3ia7 n PHE 63 Cb 0.11 -1.92 0.00 0.00 0.35 0.00 0.00 39.48 38.02 3ia7 n PHE 63 CO 0.00 0.00 0.00 0.72 -0.76 0.00 0.00 176.76 176.72 3ia7 n HIS 64 N 3.97 -0.38 0.05 -5.13 8.25 -1.26 -4.58 115.22 116.14 3ia7 n HIS 64 Ca 0.37 0.07 0.07 0.00 -0.26 0.00 0.00 57.72 57.97 3ia7 n HIS 64 Cb 0.38 0.25 -0.06 0.00 1.12 0.00 0.00 29.99 31.67 3ia7 n HIS 64 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3ia7 n VAL 65 N -2.99 0.71 -0.17 1.59 0.31 -1.26 -4.19 118.33 112.34 3ia7 n VAL 65 Ca 0.00 -0.60 -0.09 0.00 -0.01 0.00 0.00 64.34 63.65 3ia7 n VAL 65 Cb 0.18 -0.40 0.05 0.00 -0.91 0.00 0.00 33.84 32.76 3ia7 n VAL 65 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3ia7 h PRO 66 N 0.00 0.98 -4.09 5.55 0.13 -1.90 -3.39 132.00 129.28 3ia7 h PRO 66 Ca -0.07 -0.34 -0.64 0.00 -0.87 0.00 0.00 66.00 64.07 3ia7 h PRO 66 Cb 1.22 -0.07 -0.40 0.00 0.13 0.00 0.00 31.00 31.88 3ia7 h PRO 66 CO 0.01 1.02 -0.70 -1.21 -0.23 0.00 0.00 178.00 176.89 3ia7 s GLU 67 N -4.87 1.53 0.06 0.86 0.41 -1.26 -4.78 118.70 110.65 3ia7 s GLU 67 Ca -0.11 -2.01 0.00 0.00 -0.41 0.00 0.00 54.97 52.44 3ia7 s GLU 67 Cb 0.13 -3.05 0.00 0.00 -1.78 0.00 0.00 34.13 29.43 3ia7 s GLU 67 CO 0.85 -1.01 0.00 0.28 -0.49 0.00 0.00 175.26 174.90 3ia7 n VAL 68 N 3.94 0.07 -3.79 2.63 0.31 -1.26 -4.86 118.33 115.37 3ia7 n VAL 68 Ca 0.04 0.02 -0.35 0.00 -0.01 0.00 0.00 64.34 64.04 3ia7 n VAL 68 Cb 0.39 -0.73 -0.09 0.00 -0.91 0.00 0.00 33.84 32.49 3ia7 n VAL 68 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3ia7 s VAL 69 N -2.00 5.14 0.12 2.52 1.01 -1.26 -5.09 120.40 120.83 3ia7 s VAL 69 Ca 0.00 0.10 -0.18 0.00 0.00 0.00 0.00 61.98 61.89 3ia7 s VAL 69 Cb 0.00 -3.36 -0.07 0.00 0.00 0.00 0.00 36.38 32.95 3ia7 s VAL 69 CO 0.00 0.41 0.59 -0.54 0.00 0.00 0.00 175.10 175.56 3ia7 s LYS 70 N 0.66 4.17 0.54 2.72 -0.14 -1.26 -5.09 119.74 121.35 3ia7 s LYS 70 Ca 0.06 0.71 0.06 0.00 -1.36 0.00 0.00 55.97 55.44 3ia7 s LYS 70 Cb -0.12 -3.11 0.04 0.00 -1.68 0.00 0.00 37.83 32.95 3ia7 s LYS 70 CO 0.01 0.56 0.45 1.14 -0.76 0.00 0.00 175.35 176.75 3ia7 s GLN 71 N -1.45 2.27 0.10 1.68 0.00 -1.26 -5.05 119.66 115.95 3ia7 s GLN 71 Ca 0.33 -1.96 -0.20 0.00 -0.00 0.00 0.00 55.36 53.53 3ia7 s GLN 71 Cb -0.18 -2.17 -0.05 0.00 0.00 0.00 0.00 33.01 30.61 3ia7 s GLN 71 CO 0.20 -0.63 1.35 1.49 0.00 0.00 0.00 175.29 177.69 3ia7 h GLU 72 N 0.70 -0.07 -0.97 9.60 4.81 -2.06 -2.55 114.58 124.04 3ia7 h GLU 72 Ca -0.36 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 58.81 3ia7 h GLU 72 Cb 1.30 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.66 3ia7 h GLU 72 CO 0.55 -0.05 0.08 -0.40 -0.73 0.00 0.00 179.01 178.47 3ia7 n ASP 73 N -4.44 2.69 -0.16 1.04 5.75 -1.26 -4.35 116.55 115.81 3ia7 n ASP 73 Ca 0.00 -2.25 0.11 0.00 -0.01 0.00 0.00 54.79 52.64 3ia7 n ASP 73 Cb 0.18 -0.55 0.44 0.00 -1.03 0.00 0.00 41.12 40.16 3ia7 n ASP 73 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ia7 h ALA 74 N 2.01 1.93 0.17 2.12 0.00 -1.86 -1.46 119.26 122.18 3ia7 h ALA 74 Ca 0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ia7 h ALA 74 Cb 1.14 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3ia7 h ALA 74 CO 0.16 -0.09 -0.12 0.93 0.00 0.00 0.00 179.25 180.13 3ia7 h GLU 75 N 0.55 -0.28 -0.90 0.00 5.08 -1.87 -0.39 114.58 116.78 3ia7 h GLU 75 Ca 0.34 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.78 3ia7 h GLU 75 Cb 0.58 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.83 3ia7 h GLU 75 CO -0.12 -0.19 0.56 1.15 -1.00 0.00 0.00 179.01 179.42 3ia7 h THR 76 N -0.29 1.04 -0.83 1.13 2.02 -1.79 -2.00 112.91 112.19 3ia7 h THR 76 Ca -0.01 -0.35 -0.03 0.00 0.77 0.00 0.00 66.41 66.79 3ia7 h THR 76 Cb 0.25 -0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 66.56 3ia7 h THR 76 CO 0.01 0.19 0.40 1.56 0.37 0.00 0.00 175.52 178.04 3ia7 h GLN 77 N 1.01 1.20 -0.14 6.66 1.08 -1.02 -0.20 115.11 123.70 3ia7 h GLN 77 Ca 0.39 -0.17 0.00 0.00 -1.45 0.00 0.00 58.65 57.42 3ia7 h GLN 77 Cb 0.18 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 3ia7 h GLN 77 CO -0.18 0.92 0.09 -0.07 -0.95 0.00 0.00 178.83 178.64 3ia7 h LEU 78 N 1.18 0.17 -0.99 1.46 3.38 -0.73 -0.88 115.31 118.91 3ia7 h LEU 78 Ca 0.29 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.25 3ia7 h LEU 78 Cb 0.11 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 3ia7 h LEU 78 CO -0.04 0.15 0.65 0.45 0.09 0.00 0.00 178.44 179.74 3ia7 h HIS 79 N 0.17 1.23 -0.34 1.13 3.86 -1.11 -2.47 115.15 117.62 3ia7 h HIS 79 Ca 0.05 0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.19 3ia7 h HIS 79 Cb 0.01 -0.41 -0.02 0.00 1.06 0.00 0.00 27.41 28.05 3ia7 h HIS 79 CO -0.06 0.75 -0.19 -0.07 0.86 0.00 0.00 177.93 179.21 3ia7 h LEU 80 N 1.30 0.64 -0.93 2.43 3.38 -0.72 -2.14 115.31 119.27 3ia7 h LEU 80 Ca 0.37 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 58.03 3ia7 h LEU 80 Cb -0.09 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3ia7 h LEU 80 CO -0.10 0.84 -0.40 1.62 0.09 0.00 0.00 178.44 180.48 3ia7 h VAL 81 N 0.57 1.31 -0.11 1.22 3.04 -1.03 -0.33 116.25 120.92 3ia7 h VAL 81 Ca 0.09 -1.51 -0.00 0.00 -1.01 0.00 0.00 66.70 64.27 3ia7 h VAL 81 Cb 0.65 1.66 -0.01 0.00 -2.01 0.00 0.00 31.29 31.59 3ia7 h VAL 81 CO 0.05 0.45 0.07 0.22 -1.01 0.00 0.00 177.57 177.35 3ia7 h TYR 82 N 0.22 0.15 -0.26 3.17 3.20 -1.14 -0.41 116.97 121.91 3ia7 h TYR 82 Ca 0.02 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 3ia7 h TYR 82 Cb 0.81 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 3ia7 h TYR 82 CO 0.02 0.13 0.15 0.28 -1.64 0.00 0.00 178.16 177.09 3ia7 h VAL 83 N 0.12 1.11 -0.96 1.81 2.07 -1.12 -1.42 116.25 117.86 3ia7 h VAL 83 Ca 0.04 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 67.33 3ia7 h VAL 83 Cb 0.02 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 30.56 3ia7 h VAL 83 CO -0.01 0.11 0.62 0.03 0.02 0.00 0.00 177.57 178.34 3ia7 h ARG 84 N 0.31 1.14 -0.44 1.57 3.08 -0.89 -0.27 114.38 118.87 3ia7 h ARG 84 Ca 0.09 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 3ia7 h ARG 84 Cb 0.04 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 3ia7 h ARG 84 CO -0.02 0.75 0.08 1.49 -1.07 0.00 0.00 179.97 181.21 3ia7 h GLU 85 N 1.17 0.72 -0.42 0.04 4.57 -0.87 0.16 114.58 119.95 3ia7 h GLU 85 Ca 0.40 -0.19 0.07 0.00 -1.18 0.00 0.00 59.36 58.46 3ia7 h GLU 85 Cb 0.07 -0.09 -0.06 0.00 -0.16 0.00 0.00 28.75 28.52 3ia7 h GLU 85 CO -0.14 0.74 0.08 -0.91 -1.18 0.00 0.00 179.01 177.60 3ia7 h ASN 86 N 0.59 0.01 -0.73 1.04 2.35 -0.81 -2.47 115.58 115.56 3ia7 h ASN 86 Ca 0.14 0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.93 3ia7 h ASN 86 Cb 0.36 0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.79 3ia7 h ASN 86 CO 0.01 0.04 0.36 0.58 -1.65 0.00 0.00 177.43 176.76 3ia7 h VAL 87 N 0.22 1.24 -0.54 2.81 2.07 -0.58 -0.91 116.25 120.55 3ia7 h VAL 87 Ca 0.20 -0.67 0.05 0.00 0.82 0.00 0.00 66.70 67.11 3ia7 h VAL 87 Cb 0.25 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 30.25 3ia7 h VAL 87 CO -0.27 0.28 0.27 0.00 0.02 0.00 0.00 177.57 177.88 3ia7 h ALA 88 N 1.33 0.69 -0.12 1.67 0.00 -0.41 0.76 119.26 123.18 3ia7 h ALA 88 Ca 0.26 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 3ia7 h ALA 88 Cb 0.11 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3ia7 h ALA 88 CO -0.03 -0.08 -0.06 0.82 0.00 0.00 0.00 179.25 179.90 3ia7 h ILE 89 N 0.52 1.32 -0.13 0.00 2.04 -1.20 -2.09 117.51 117.96 3ia7 h ILE 89 Ca 0.24 -1.09 0.04 0.00 1.00 0.00 0.00 64.86 65.05 3ia7 h ILE 89 Cb 0.16 1.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.97 3ia7 h ILE 89 CO -0.17 0.31 -0.13 0.25 0.00 0.00 0.00 178.15 178.41 3ia7 h LEU 90 N -0.09 -0.41 -0.66 1.44 5.85 -0.98 -1.22 115.31 119.24 3ia7 h LEU 90 Ca 0.03 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 3ia7 h LEU 90 Cb 0.52 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 3ia7 h LEU 90 CO 0.02 -0.17 0.30 0.03 -0.34 0.00 0.00 178.44 178.28 3ia7 h ARG 91 N -0.16 0.96 -0.44 1.25 3.08 -0.86 -1.66 114.38 116.56 3ia7 h ARG 91 Ca 0.09 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 3ia7 h ARG 91 Cb 0.29 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3ia7 h ARG 91 CO -0.22 0.77 0.18 0.00 -1.07 0.00 0.00 179.97 179.63 3ia7 h ALA 92 N 1.14 0.57 -0.39 0.04 0.00 -1.04 -1.10 119.26 118.47 3ia7 h ALA 92 Ca 0.22 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3ia7 h ALA 92 Cb 0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3ia7 h ALA 92 CO -0.03 0.16 0.08 0.00 0.00 0.00 0.00 179.25 179.47 3ia7 h ALA 93 N 1.03 0.52 -0.46 0.00 0.00 -1.12 -1.48 119.26 117.76 3ia7 h ALA 93 Ca 0.15 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3ia7 h ALA 93 Cb 0.17 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3ia7 h ALA 93 CO -0.01 0.21 0.14 0.93 0.00 0.00 0.00 179.25 180.52 3ia7 h GLU 94 N 0.50 0.72 -0.30 0.00 5.08 -1.21 -0.72 114.58 118.64 3ia7 h GLU 94 Ca 0.12 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3ia7 h GLU 94 Cb 0.34 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3ia7 h GLU 94 CO 0.00 0.69 0.16 1.49 -1.00 0.00 0.00 179.01 180.35 3ia7 h GLU 95 N 0.61 0.43 -0.45 2.33 4.22 -1.17 0.17 114.58 120.72 3ia7 h GLU 95 Ca 0.15 -0.06 -0.14 0.00 0.08 0.00 0.00 59.36 59.39 3ia7 h GLU 95 Cb 0.27 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3ia7 h GLU 95 CO -0.00 0.38 -0.27 0.00 -2.18 0.00 0.00 179.01 176.93 3ia7 h ALA 96 N 1.02 0.65 0.00 2.92 0.00 -1.13 -3.27 119.26 119.46 3ia7 h ALA 96 Ca 0.11 -0.41 -0.26 0.00 0.00 0.00 0.00 54.91 54.34 3ia7 h ALA 96 Cb 0.08 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3ia7 h ALA 96 CO -0.02 0.68 -1.48 -0.07 0.00 0.00 0.00 179.25 178.36 3ia7 h LEU 97 N 0.83 0.00 0.00 0.00 -0.00 -1.12 -3.49 115.31 111.53 3ia7 h LEU 97 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.97 3ia7 h LEU 97 Cb 0.86 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.52 3ia7 h LEU 97 CO 0.08 0.96 0.00 0.61 -0.00 0.00 0.00 178.44 180.09 3ia7 n GLY 98 N 1.48 3.31 0.74 0.83 0.00 0.59 -1.13 105.19 111.01 3ia7 n GLY 98 Ca -0.12 0.11 0.04 0.00 0.00 0.00 0.00 46.02 46.05 3ia7 n GLY 98 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ia7 n ASP 99 N 4.81 2.08 -3.21 1.61 8.00 -1.26 -4.40 116.55 124.17 3ia7 n ASP 99 Ca 0.00 -2.13 -0.25 0.00 0.71 0.00 0.00 54.79 53.12 3ia7 n ASP 99 Cb 0.00 -0.33 -0.06 0.00 -0.02 0.00 0.00 41.12 40.71 3ia7 n ASP 99 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3ia7 n ASN 100 N 0.34 2.91 -4.74 -2.24 3.02 -0.29 -5.12 115.26 109.15 3ia7 n ASN 100 Ca 0.11 -3.32 -0.34 0.00 -0.03 0.00 0.00 54.58 51.01 3ia7 n ASN 100 Cb 0.39 -0.63 0.08 0.00 -0.61 0.00 0.00 39.78 39.01 3ia7 n ASN 100 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3ia7 s PRO 101 N -2.51 2.29 1.03 3.52 0.04 -1.26 -4.88 135.00 133.23 3ia7 s PRO 101 Ca 0.42 1.60 -0.15 0.00 0.04 0.00 0.00 61.00 62.91 3ia7 s PRO 101 Cb 0.22 -1.87 0.20 0.00 0.04 0.00 0.00 34.50 33.09 3ia7 s PRO 101 CO -0.07 -1.69 1.13 -1.25 0.04 0.00 0.00 177.00 175.16 3ia7 s PRO 102 N -4.05 0.16 0.31 0.56 0.04 -1.26 -4.98 135.00 125.77 3ia7 s PRO 102 Ca 0.71 0.18 0.17 0.00 0.04 0.00 0.00 61.00 62.11 3ia7 s PRO 102 Cb -0.25 -1.73 0.12 0.00 0.04 0.00 0.00 34.50 32.67 3ia7 s PRO 102 CO 0.45 -2.84 1.45 -0.44 0.04 0.00 0.00 177.00 175.65 3ia7 h ASP 103 N -1.96 0.00 -3.80 6.66 3.32 -1.06 -3.47 116.42 116.10 3ia7 h ASP 103 Ca -0.50 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.43 3ia7 h ASP 103 Cb 1.31 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.62 3ia7 h ASP 103 CO 0.51 0.36 -0.25 -0.22 -1.72 0.00 0.00 179.24 177.92 3ia7 s LEU 104 N -6.33 0.38 -0.23 1.55 2.96 -1.12 -4.36 118.68 111.52 3ia7 s LEU 104 Ca 0.04 0.83 -0.07 0.00 -0.22 0.00 0.00 54.13 54.71 3ia7 s LEU 104 Cb 0.07 1.39 -0.03 0.00 0.50 0.00 0.00 46.19 48.12 3ia7 s LEU 104 CO 0.73 -0.15 0.05 -0.69 -1.32 0.00 0.00 176.35 174.97 3ia7 s VAL 105 N 0.36 4.23 -0.21 1.68 1.01 -0.85 -1.08 120.40 125.54 3ia7 s VAL 105 Ca -0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 3ia7 s VAL 105 Cb -0.04 -2.96 -0.00 0.00 0.00 0.00 0.00 36.38 33.38 3ia7 s VAL 105 CO -0.01 0.37 -0.08 -0.69 0.00 0.00 0.00 175.10 174.69 3ia7 s VAL 106 N 1.39 3.11 0.02 2.92 1.01 0.23 -0.65 120.40 128.43 3ia7 s VAL 106 Ca 0.05 -0.59 0.06 0.00 0.00 0.00 0.00 61.98 61.51 3ia7 s VAL 106 Cb -0.15 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 3ia7 s VAL 106 CO 0.03 0.45 -0.19 -0.72 0.00 0.00 0.00 175.10 174.67 3ia7 s TYR 107 N 1.37 1.67 0.58 5.22 -0.85 -0.23 -0.40 117.35 124.72 3ia7 s TYR 107 Ca 0.05 -0.35 -0.17 0.00 -0.52 0.00 0.00 57.07 56.08 3ia7 s TYR 107 Cb -0.14 -1.02 -0.04 0.00 0.38 0.00 0.00 41.96 41.14 3ia7 s TYR 107 CO -0.05 0.05 1.08 0.34 -1.52 0.00 0.00 175.55 175.45 3ia7 s ASP 108 N -0.93 5.68 0.46 -0.18 2.15 -0.60 -0.07 116.67 123.18 3ia7 s ASP 108 Ca 0.06 1.95 0.13 0.00 0.43 0.00 0.00 52.55 55.12 3ia7 s ASP 108 Cb -0.08 -2.55 1.07 0.00 -0.30 0.00 0.00 42.92 41.06 3ia7 s ASP 108 CO 0.01 -1.24 2.06 1.62 -0.17 0.00 0.00 175.17 177.45 3ia7 h VAL 109 N 0.65 0.98 0.39 1.11 3.04 -1.05 -3.00 116.25 118.37 3ia7 h VAL 109 Ca -0.48 -0.11 -0.02 0.00 -1.01 0.00 0.00 66.70 65.09 3ia7 h VAL 109 Cb 1.23 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 31.16 3ia7 h VAL 109 CO 0.57 0.06 -0.19 0.15 -1.01 0.00 0.00 177.57 177.15 3ia7 h PHE 110 N 0.31 -0.48 -0.19 3.17 3.57 -1.92 -2.31 116.94 119.09 3ia7 h PHE 110 Ca 0.15 -0.01 -0.19 0.00 3.53 0.00 0.00 57.97 61.45 3ia7 h PHE 110 Cb 0.22 0.16 -0.07 0.00 2.79 0.00 0.00 35.95 39.05 3ia7 h PHE 110 CO -0.00 -0.26 -0.11 -0.35 -2.23 0.00 0.00 178.31 175.36 3ia7 n PRO 111 N -5.29 1.77 0.15 6.41 -0.04 -1.14 -4.57 135.00 132.29 3ia7 n PRO 111 Ca -0.11 -0.97 0.00 0.00 -0.04 0.00 0.00 63.50 62.39 3ia7 n PRO 111 Cb 0.24 -1.72 0.22 0.00 -0.04 0.00 0.00 33.50 32.21 3ia7 n PRO 111 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3ia7 h PHE 112 N 2.33 0.00 -0.10 0.54 -5.15 -1.40 -0.59 116.94 112.57 3ia7 h PHE 112 Ca 0.18 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.94 3ia7 h PHE 112 Cb 1.21 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.38 3ia7 h PHE 112 CO 1.24 0.55 0.04 0.82 -2.00 0.00 0.00 178.31 178.95 3ia7 h ILE 113 N 0.00 1.15 -0.52 0.88 2.04 -1.86 -0.96 117.51 118.24 3ia7 h ILE 113 Ca -0.01 -0.45 0.05 0.00 1.00 0.00 0.00 64.86 65.46 3ia7 h ILE 113 Cb 1.00 1.25 -0.05 0.00 -0.74 0.00 0.00 36.82 38.29 3ia7 h ILE 113 CO 0.07 0.13 0.26 0.00 0.00 0.00 0.00 178.15 178.62 3ia7 h ALA 114 N 0.88 0.67 -0.26 1.87 0.00 -1.71 -0.82 119.26 119.89 3ia7 h ALA 114 Ca 0.03 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3ia7 h ALA 114 Cb 0.17 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3ia7 h ALA 114 CO -0.00 -0.08 0.04 0.78 0.00 0.00 0.00 179.25 179.98 3ia7 h GLY 115 N 0.51 0.48 1.56 0.00 0.00 -0.86 -1.55 103.07 103.21 3ia7 h GLY 115 Ca 0.23 -0.32 -0.14 0.00 0.00 0.00 0.00 47.33 47.10 3ia7 h GLY 115 CO -0.16 0.30 -0.46 3.21 0.00 0.00 0.00 176.54 179.42 3ia7 h ARG 116 N 0.25 0.47 -0.43 4.80 3.08 -1.08 -2.10 114.38 119.37 3ia7 h ARG 116 Ca 0.08 -0.26 -0.13 0.00 0.07 0.00 0.00 59.98 59.74 3ia7 h ARG 116 Cb 0.35 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 3ia7 h ARG 116 CO 0.01 0.84 -0.24 -0.07 -1.07 0.00 0.00 179.97 179.44 3ia7 h LEU 117 N 0.38 0.91 -0.31 3.04 3.38 -1.02 -0.94 115.31 120.75 3ia7 h LEU 117 Ca 0.02 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.65 3ia7 h LEU 117 Cb 0.96 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 3ia7 h LEU 117 CO 0.08 1.10 0.20 -0.07 0.09 0.00 0.00 178.44 179.85 3ia7 h LEU 118 N 0.76 0.34 -0.66 1.67 3.38 -1.21 -0.34 115.31 119.25 3ia7 h LEU 118 Ca 0.10 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3ia7 h LEU 118 Cb 0.79 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 3ia7 h LEU 118 CO 0.07 0.25 0.37 0.00 0.09 0.00 0.00 178.44 179.21 3ia7 h ALA 119 N 1.12 0.84 0.20 1.53 0.00 -1.27 0.14 119.26 121.83 3ia7 h ALA 119 Ca 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3ia7 h ALA 119 Cb -0.04 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.49 3ia7 h ALA 119 CO -0.03 0.35 -0.09 0.00 0.00 0.00 0.00 179.25 179.47 3ia7 h ALA 120 N 1.18 -0.26 -0.50 0.00 0.00 -0.90 -0.51 119.26 118.27 3ia7 h ALA 120 Ca 0.23 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3ia7 h ALA 120 Cb 0.03 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3ia7 h ALA 120 CO -0.04 -0.57 0.10 -0.09 0.00 0.00 0.00 179.25 178.65 3ia7 h ARG 121 N -0.43 0.82 0.00 0.00 2.43 -0.90 -2.47 114.38 113.82 3ia7 h ARG 121 Ca -0.03 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 3ia7 h ARG 121 Cb 0.33 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 3ia7 h ARG 121 CO 0.04 0.81 0.00 0.91 -1.51 0.00 0.00 179.97 180.22 3ia7 n TRP 122 N -4.43 0.53 -3.37 2.20 8.01 0.49 -4.94 117.44 115.93 3ia7 n TRP 122 Ca 0.01 0.17 -0.19 0.00 -1.31 0.00 0.00 57.50 56.18 3ia7 n TRP 122 Cb 0.24 -0.77 0.06 0.00 -2.01 0.00 0.00 31.31 28.83 3ia7 n TRP 122 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 3ia7 n ASP 123 N -1.94 -6.11 -4.15 -0.99 2.03 -0.34 -5.03 116.55 100.01 3ia7 n ASP 123 Ca 0.05 -0.78 -0.14 0.00 0.52 0.00 0.00 54.79 54.44 3ia7 n ASP 123 Cb 0.34 -4.76 -0.11 0.00 -0.72 0.00 0.00 41.12 35.87 3ia7 n ASP 123 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3ia7 s ARG 124 N -4.82 0.76 0.69 -0.67 1.81 -0.37 -5.05 118.95 111.30 3ia7 s ARG 124 Ca 0.44 -1.04 -0.13 0.00 -1.72 0.00 0.00 55.73 53.28 3ia7 s ARG 124 Cb -0.08 -0.48 0.01 0.00 -0.45 0.00 0.00 34.95 33.95 3ia7 s ARG 124 CO 0.77 0.08 1.10 -1.25 -0.68 0.00 0.00 175.30 175.32 3ia7 s PRO 125 N -2.42 2.69 0.06 3.54 0.04 -1.26 -4.61 135.00 133.03 3ia7 s PRO 125 Ca 0.01 1.29 0.02 0.00 0.04 0.00 0.00 61.00 62.36 3ia7 s PRO 125 Cb -0.05 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 3ia7 s PRO 125 CO -0.00 -1.32 -0.08 0.00 0.04 0.00 0.00 177.00 175.64 3ia7 s ALA 126 N -2.55 0.72 -0.06 8.56 0.00 -1.26 -2.00 121.76 125.16 3ia7 s ALA 126 Ca 0.64 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 51.71 3ia7 s ALA 126 Cb -0.19 0.06 -0.00 0.00 0.00 0.00 0.00 23.12 22.99 3ia7 s ALA 126 CO 0.46 -0.06 -0.18 0.08 0.00 0.00 0.00 175.76 176.06 3ia7 s VAL 127 N -1.94 1.57 0.03 0.00 1.01 0.18 -4.26 120.40 117.00 3ia7 s VAL 127 Ca -0.04 -0.77 -0.14 0.00 0.00 0.00 0.00 61.98 61.03 3ia7 s VAL 127 Cb -0.06 -1.36 -0.06 0.00 0.00 0.00 0.00 36.38 34.90 3ia7 s VAL 127 CO -0.01 0.45 0.42 -0.60 0.00 0.00 0.00 175.10 175.36 3ia7 s ARG 128 N 0.19 3.89 0.03 2.72 3.52 0.23 -1.06 118.95 128.46 3ia7 s ARG 128 Ca -0.09 0.37 0.07 0.00 -0.13 0.00 0.00 55.73 55.95 3ia7 s ARG 128 Cb -0.14 -3.14 -0.03 0.00 -1.56 0.00 0.00 34.95 30.08 3ia7 s ARG 128 CO 0.04 0.64 -0.18 -0.51 -0.81 0.00 0.00 175.30 174.48 3ia7 s LEU 129 N -1.35 2.58 -0.10 -0.88 1.43 0.90 -0.32 118.68 120.94 3ia7 s LEU 129 Ca 0.27 -0.41 -0.08 0.00 -1.03 0.00 0.00 54.13 52.88 3ia7 s LEU 129 Cb -0.16 -1.51 0.03 0.00 0.03 0.00 0.00 46.19 44.58 3ia7 s LEU 129 CO 0.15 0.27 0.26 0.28 0.23 0.00 0.00 176.35 177.54 3ia7 s THR 130 N -0.89 -0.01 -2.42 5.49 -1.32 -0.11 -0.34 115.64 116.04 3ia7 s THR 130 Ca 0.14 0.03 0.28 0.00 -1.21 0.00 0.00 61.69 60.92 3ia7 s THR 130 Cb -0.10 -0.38 0.51 0.00 -1.51 0.00 0.00 72.50 71.02 3ia7 s THR 130 CO 0.04 0.01 1.71 0.61 -2.21 0.00 0.00 174.62 174.79 3ia7 n GLY 131 N 3.17 -0.05 0.00 6.08 0.00 -1.26 -0.67 105.19 112.47 3ia7 n GLY 131 Ca -0.15 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.42 3ia7 n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ia7 n GLY 132 N 1.20 4.28 3.76 -0.02 0.00 -1.26 -4.82 105.19 108.34 3ia7 n GLY 132 Ca 0.18 -2.21 -0.41 0.00 0.00 0.00 0.00 46.02 43.58 3ia7 n GLY 132 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ia7 s PHE 133 N -0.95 2.93 0.76 1.61 0.08 -1.26 -4.76 117.98 116.38 3ia7 s PHE 133 Ca 0.00 1.16 -0.14 0.00 0.12 0.00 0.00 56.93 58.07 3ia7 s PHE 133 Cb 0.00 -3.83 0.05 0.00 -0.57 0.00 0.00 43.02 38.68 3ia7 s PHE 133 CO 0.00 -2.53 1.17 0.00 -0.10 0.00 0.00 175.22 173.76 3ia7 s ALA 134 N -0.56 2.06 -0.01 5.36 0.00 -1.26 -4.83 121.76 122.52 3ia7 s ALA 134 Ca 0.55 0.73 0.07 0.00 0.00 0.00 0.00 51.96 53.31 3ia7 s ALA 134 Cb -0.42 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.25 3ia7 s ALA 134 CO 0.50 -1.95 -0.21 0.00 0.00 0.00 0.00 175.76 174.11 3ia7 s ALA 135 N -2.23 1.73 0.00 0.00 0.00 -1.26 -4.70 121.76 115.30 3ia7 s ALA 135 Ca 0.71 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.75 3ia7 s ALA 135 Cb -0.26 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.44 3ia7 s ALA 135 CO 0.48 0.42 0.00 0.27 0.00 0.00 0.00 175.76 176.93 3ia7 n ASN 136 N 2.47 0.00 0.18 0.00 0.23 0.03 -5.00 115.26 113.18 3ia7 n ASN 136 Ca -0.15 -0.41 0.13 0.00 -0.53 0.00 0.00 54.58 53.61 3ia7 n ASN 136 Cb 0.53 0.00 0.62 0.00 -2.08 0.00 0.00 39.78 38.84 3ia7 n ASN 136 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3ia7 h GLU 137 N 0.00 0.00 0.00 -3.83 9.09 -1.95 -2.65 114.58 115.23 3ia7 h GLU 137 Ca 0.00 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.20 3ia7 h GLU 137 Cb 0.00 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.06 3ia7 h GLU 137 CO 0.00 0.00 -1.58 0.72 0.05 0.00 0.00 179.01 178.20 3ia7 n HIS 138 N -2.44 0.88 -3.66 2.06 8.25 -1.26 -4.98 115.22 114.07 3ia7 n HIS 138 Ca 0.00 0.30 -0.10 0.00 -0.26 0.00 0.00 57.72 57.66 3ia7 n HIS 138 Cb 0.17 -1.09 -0.08 0.00 1.12 0.00 0.00 29.99 30.11 3ia7 n HIS 138 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 3ia7 s TYR 139 N -2.83 -0.82 -0.18 4.41 5.04 -1.00 -5.05 117.35 116.92 3ia7 s TYR 139 Ca -0.04 1.77 -0.04 0.00 -2.44 0.00 0.00 57.07 56.32 3ia7 s TYR 139 Cb 0.08 0.40 0.09 0.00 0.35 0.00 0.00 41.96 42.89 3ia7 s TYR 139 CO 0.82 -0.41 0.30 0.45 -1.34 0.00 0.00 175.55 175.37 3ia7 s SER 140 N 1.08 0.49 0.19 4.32 0.15 -1.26 -0.79 113.70 117.87 3ia7 s SER 140 Ca -0.06 0.37 -0.12 0.00 0.70 0.00 0.00 55.95 56.83 3ia7 s SER 140 Cb -0.05 0.81 0.15 0.00 -1.71 0.00 0.00 66.02 65.22 3ia7 s SER 140 CO -0.10 -0.27 1.80 0.25 1.20 0.00 0.00 173.24 176.11 3ia7 h LEU 141 N 8.25 0.44 -0.57 3.45 5.85 -1.88 -2.27 115.31 128.59 3ia7 h LEU 141 Ca -0.16 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.59 3ia7 h LEU 141 Cb 1.13 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 3ia7 h LEU 141 CO 0.20 0.30 0.37 -0.26 -0.34 0.00 0.00 178.44 178.71 3ia7 h PHE 142 N 0.57 0.71 -0.71 1.25 0.04 -1.96 -0.11 116.94 116.74 3ia7 h PHE 142 Ca 0.24 0.02 0.03 0.00 2.80 0.00 0.00 57.97 61.05 3ia7 h PHE 142 Cb 0.12 -0.24 -0.04 0.00 2.20 0.00 0.00 35.95 37.99 3ia7 h PHE 142 CO -0.09 0.45 0.47 0.87 -0.60 0.00 0.00 178.31 179.41 3ia7 h LYS 143 N 0.77 0.84 -0.20 1.51 1.57 -1.93 -0.25 116.57 118.88 3ia7 h LYS 143 Ca 0.21 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.79 3ia7 h LYS 143 Cb -0.09 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.03 3ia7 h LYS 143 CO -0.04 0.56 -0.50 0.93 -0.57 0.00 0.00 179.45 179.83 3ia7 h GLU 144 N 0.87 0.54 0.14 3.15 4.39 -0.62 -1.38 114.58 121.66 3ia7 h GLU 144 Ca 0.28 -0.31 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 3ia7 h GLU 144 Cb 0.03 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 3ia7 h GLU 144 CO -0.08 0.91 -0.07 -0.07 -1.16 0.00 0.00 179.01 178.55 3ia7 h LEU 145 N 0.42 -0.16 -0.56 1.33 3.38 -0.27 -0.42 115.31 119.04 3ia7 h LEU 145 Ca 0.02 -0.29 0.10 0.00 0.09 0.00 0.00 57.88 57.80 3ia7 h LEU 145 Cb 1.02 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.73 3ia7 h LEU 145 CO 0.09 0.22 0.13 -0.50 0.09 0.00 0.00 178.44 178.48 3ia7 h TRP 146 N -0.56 0.22 -0.25 1.13 6.55 -1.11 0.29 115.95 122.21 3ia7 h TRP 146 Ca -0.02 0.03 0.03 0.00 0.95 0.00 0.00 58.89 59.88 3ia7 h TRP 146 Cb 0.43 -0.01 -0.03 0.00 -0.86 0.00 0.00 29.16 28.69 3ia7 h TRP 146 CO 0.04 0.00 0.07 -0.22 -1.05 0.00 0.00 178.44 177.29 3ia7 h LYS 147 N 0.28 0.17 -0.09 0.49 3.64 -1.18 -0.39 116.57 119.49 3ia7 h LYS 147 Ca 0.29 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.56 3ia7 h LYS 147 Cb 0.39 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 3ia7 h LYS 147 CO -0.35 0.11 -0.40 0.66 -2.27 0.00 0.00 179.45 177.20 3ia7 h SER 148 N 0.18 0.20 0.73 4.20 4.64 -0.39 -2.16 113.55 120.94 3ia7 h SER 148 Ca 0.11 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3ia7 h SER 148 Cb 0.10 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3ia7 h SER 148 CO -0.13 0.58 0.00 0.59 -0.87 0.00 0.00 176.83 177.00 3ia7 n ASN 149 N -4.04 0.00 -1.75 4.97 3.02 0.96 -4.94 115.26 113.48 3ia7 n ASN 149 Ca -0.01 0.26 -0.18 0.00 -0.03 0.00 0.00 54.58 54.61 3ia7 n ASN 149 Cb 0.46 -0.41 -0.04 0.00 -0.61 0.00 0.00 39.78 39.18 3ia7 n ASN 149 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ia7 n GLY 150 N 1.09 0.60 3.92 7.41 0.00 -0.29 -5.02 105.19 112.90 3ia7 n GLY 150 Ca 0.09 -0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 3ia7 n GLY 150 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3ia7 s GLN 151 N -4.27 3.33 0.53 1.61 -2.07 -0.45 -5.03 119.66 113.31 3ia7 s GLN 151 Ca 0.00 -0.68 -0.20 0.00 -1.82 0.00 0.00 55.36 52.66 3ia7 s GLN 151 Cb 0.00 -2.89 -0.06 0.00 -1.09 0.00 0.00 33.01 28.97 3ia7 s GLN 151 CO 0.00 0.50 1.12 1.03 -1.32 0.00 0.00 175.29 176.62 3ia7 s ARG 152 N -3.31 3.47 0.29 9.60 0.52 -1.26 -4.44 118.95 123.82 3ia7 s ARG 152 Ca 0.34 1.58 -0.29 0.00 -0.52 0.00 0.00 55.73 56.84 3ia7 s ARG 152 Cb -0.11 -2.05 -0.13 0.00 0.52 0.00 0.00 34.95 33.18 3ia7 s ARG 152 CO 0.28 -0.75 1.23 1.58 0.02 0.00 0.00 175.30 177.66 3ia7 n HIS 153 N -1.18 1.92 -0.10 -0.53 -0.00 -1.26 -4.84 115.22 109.23 3ia7 n HIS 153 Ca 0.11 0.58 0.23 0.00 -0.00 0.00 0.00 57.72 58.63 3ia7 n HIS 153 Cb 0.51 -2.37 0.68 0.00 -0.00 0.00 0.00 29.99 28.81 3ia7 n HIS 153 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3ia7 h PRO 154 N 2.82 0.06 0.00 1.57 0.13 -1.95 0.18 132.00 134.81 3ia7 h PRO 154 Ca -0.44 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3ia7 h PRO 154 Cb 1.30 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 3ia7 h PRO 154 CO 0.65 0.04 -0.00 0.00 -0.23 0.00 0.00 178.00 178.46 3ia7 h ALA 155 N 1.65 1.00 -0.25 -0.56 0.00 -1.95 -2.09 119.26 117.06 3ia7 h ALA 155 Ca 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3ia7 h ALA 155 Cb 1.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3ia7 h ALA 155 CO -0.02 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 178.98 3ia7 n ASP 156 N -3.10 2.46 -4.60 0.00 8.00 0.62 -4.50 116.55 115.43 3ia7 n ASP 156 Ca 0.00 -1.84 -0.38 0.00 0.71 0.00 0.00 54.79 53.28 3ia7 n ASP 156 Cb 0.28 -0.16 -0.10 0.00 -0.02 0.00 0.00 41.12 41.12 3ia7 n ASP 156 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3ia7 s VAL 157 N -1.68 5.25 0.20 2.53 1.01 -0.79 -4.93 120.40 121.99 3ia7 s VAL 157 Ca 0.35 0.37 -0.15 0.00 0.00 0.00 0.00 61.98 62.55 3ia7 s VAL 157 Cb 0.20 -3.61 0.20 0.00 0.00 0.00 0.00 36.38 33.16 3ia7 s VAL 157 CO 0.29 0.21 1.63 -0.08 0.00 0.00 0.00 175.10 177.15 3ia7 h GLU 158 N 8.21 -0.01 -0.62 2.72 4.57 -1.87 0.95 114.58 128.52 3ia7 h GLU 158 Ca -0.34 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 57.87 3ia7 h GLU 158 Cb 1.18 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.73 3ia7 h GLU 158 CO 0.60 -0.01 0.41 0.00 -1.18 0.00 0.00 179.01 178.84 3ia7 h ALA 159 N 1.55 1.62 0.05 2.92 0.00 -1.95 -1.65 119.26 121.80 3ia7 h ALA 159 Ca 0.27 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 3ia7 h ALA 159 Cb 0.43 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3ia7 h ALA 159 CO -0.60 0.32 -0.37 0.28 0.00 0.00 0.00 179.25 178.89 3ia7 h VAL 160 N 0.78 1.63 -0.65 0.00 2.07 -1.61 -3.26 116.25 115.21 3ia7 h VAL 160 Ca 0.24 -2.40 0.08 0.00 0.82 0.00 0.00 66.70 65.45 3ia7 h VAL 160 Cb 0.02 3.24 -0.07 0.00 -1.52 0.00 0.00 31.29 32.97 3ia7 h VAL 160 CO -0.06 0.63 0.30 -0.74 0.02 0.00 0.00 177.57 177.72 3ia7 h HIS 161 N -0.79 0.55 -0.59 1.57 -0.00 -0.76 -0.71 115.15 114.41 3ia7 h HIS 161 Ca -0.07 0.03 -0.08 0.00 -0.00 0.00 0.00 60.37 60.24 3ia7 h HIS 161 Cb 1.23 -0.15 -0.02 0.00 -0.00 0.00 0.00 27.41 28.47 3ia7 h HIS 161 CO 0.24 0.20 0.05 0.66 -0.00 0.00 0.00 177.93 179.08 3ia7 h SER 162 N 0.54 0.99 -0.48 3.26 4.64 -1.44 0.87 113.55 121.93 3ia7 h SER 162 Ca 0.31 -0.29 -0.04 0.00 -0.47 0.00 0.00 61.79 61.31 3ia7 h SER 162 Cb 0.31 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 3ia7 h SER 162 CO -0.25 1.03 0.15 0.58 -0.87 0.00 0.00 176.83 177.47 3ia7 h VAL 163 N 0.91 1.23 -0.33 0.95 2.07 -1.49 -2.64 116.25 116.95 3ia7 h VAL 163 Ca 0.17 -0.75 -0.16 0.00 0.82 0.00 0.00 66.70 66.78 3ia7 h VAL 163 Cb 0.49 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 3ia7 h VAL 163 CO 0.02 0.27 -0.43 -0.07 0.02 0.00 0.00 177.57 177.38 3ia7 h LEU 164 N 0.64 0.95 -0.54 2.57 3.38 -0.73 -1.77 115.31 119.80 3ia7 h LEU 164 Ca 0.15 -0.50 0.06 0.00 0.09 0.00 0.00 57.88 57.68 3ia7 h LEU 164 Cb 0.27 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 3ia7 h LEU 164 CO -0.01 1.26 0.25 0.58 0.09 0.00 0.00 178.44 180.61 3ia7 h VAL 165 N 0.66 0.92 -0.18 1.22 2.07 -0.81 -0.27 116.25 119.85 3ia7 h VAL 165 Ca 0.04 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3ia7 h VAL 165 Cb 1.03 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3ia7 h VAL 165 CO 0.10 0.09 0.09 -0.78 0.02 0.00 0.00 177.57 177.09 3ia7 h ASP 166 N 0.49 0.23 0.22 0.57 3.58 -1.39 -1.53 116.42 118.59 3ia7 h ASP 166 Ca 0.24 -0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.57 3ia7 h ASP 166 Cb 0.19 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.18 3ia7 h ASP 166 CO -0.19 0.28 -0.11 0.25 -2.88 0.00 0.00 179.24 176.59 3ia7 h LEU 167 N 0.17 -0.25 -0.83 2.28 5.85 -1.09 -2.23 115.31 119.21 3ia7 h LEU 167 Ca 0.06 -0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.79 3ia7 h LEU 167 Cb 0.10 0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.13 3ia7 h LEU 167 CO -0.01 -0.07 0.47 -0.07 -0.34 0.00 0.00 178.44 178.42 3ia7 h LEU 168 N -0.43 0.66 -1.49 2.25 3.38 -1.05 -2.05 115.31 116.58 3ia7 h LEU 168 Ca -0.03 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3ia7 h LEU 168 Cb 0.33 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3ia7 h LEU 168 CO 0.05 0.37 0.29 1.23 0.09 0.00 0.00 178.44 180.47 3ia7 h GLY 169 N 0.77 0.68 2.00 0.83 0.00 -1.02 -0.31 103.07 106.02 3ia7 h GLY 169 Ca 0.40 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3ia7 h GLY 169 CO -0.26 0.26 0.00 0.50 0.00 0.00 0.00 176.54 177.04 3ia7 h LYS 170 N 0.65 0.00 -0.35 4.80 1.57 -0.75 -2.15 116.57 120.34 3ia7 h LYS 170 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3ia7 h LYS 170 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.27 3ia7 h LYS 170 CO -0.03 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.51 3ia7 n TYR 171 N -2.45 0.60 -1.16 -1.35 4.01 -0.49 -4.96 117.16 111.36 3ia7 n TYR 171 Ca -0.00 -0.57 -0.04 0.00 -0.16 0.00 0.00 57.90 57.12 3ia7 n TYR 171 Cb 0.12 -0.08 -0.02 0.00 -0.31 0.00 0.00 39.34 39.05 3ia7 n TYR 171 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ia7 n GLY 172 N 0.39 0.68 3.51 2.72 0.00 -0.81 -4.82 105.19 106.86 3ia7 n GLY 172 Ca 0.14 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 3ia7 n GLY 172 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ia7 s VAL 173 N -2.15 5.25 -0.79 1.61 1.01 -0.25 -4.94 120.40 120.13 3ia7 s VAL 173 Ca 0.00 -0.33 0.12 0.00 0.00 0.00 0.00 61.98 61.77 3ia7 s VAL 173 Cb 0.00 -3.75 0.37 0.00 0.00 0.00 0.00 36.38 33.01 3ia7 s VAL 173 CO 0.00 -0.08 1.31 -0.90 0.00 0.00 0.00 175.10 175.43 3ia7 n ASP 174 N 5.11 3.21 -4.70 3.32 5.75 -1.26 -3.04 116.55 124.95 3ia7 n ASP 174 Ca -0.12 -2.24 -0.44 0.00 -0.01 0.00 0.00 54.79 51.98 3ia7 n ASP 174 Cb 0.49 -0.31 -0.03 0.00 -1.03 0.00 0.00 41.12 40.24 3ia7 n ASP 174 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 3ia7 n THR 175 N 0.33 0.53 -1.54 2.12 -1.04 -1.26 -4.91 114.28 108.50 3ia7 n THR 175 Ca 0.14 -0.13 -0.43 0.00 -2.04 0.00 0.00 64.05 61.59 3ia7 n THR 175 Cb 0.55 -1.71 0.00 0.00 -1.82 0.00 0.00 70.33 67.35 3ia7 n THR 175 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3ia7 n PRO 176 N 2.80 1.02 -0.06 -2.82 -0.02 -1.26 -4.71 135.00 129.94 3ia7 n PRO 176 Ca 0.13 0.36 -0.09 0.00 -2.02 0.00 0.00 63.50 61.88 3ia7 n PRO 176 Cb 0.33 -1.76 -0.02 0.00 -0.02 0.00 0.00 33.50 32.03 3ia7 n PRO 176 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3ia7 h VAL 177 N 1.38 1.02 -0.53 -1.45 2.07 -1.95 -0.13 116.25 116.68 3ia7 h VAL 177 Ca -0.41 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 3ia7 h VAL 177 Cb 1.36 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 3ia7 h VAL 177 CO 0.56 0.05 0.20 0.50 0.02 0.00 0.00 177.57 178.90 3ia7 h LYS 178 N 0.29 0.80 -0.07 1.57 3.64 -1.90 -1.54 116.57 119.36 3ia7 h LYS 178 Ca 0.10 -0.15 0.03 0.00 -1.27 0.00 0.00 60.65 59.35 3ia7 h LYS 178 Cb 0.00 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 3ia7 h LYS 178 CO -0.05 0.71 -0.10 1.49 -2.27 0.00 0.00 179.45 179.23 3ia7 h GLU 179 N 0.71 -0.13 -0.55 1.90 4.81 -1.84 -2.71 114.58 116.78 3ia7 h GLU 179 Ca 0.17 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.51 3ia7 h GLU 179 Cb 0.22 0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.55 3ia7 h GLU 179 CO -0.01 -0.09 0.12 -0.92 -0.73 0.00 0.00 179.01 177.38 3ia7 h TYR 180 N -0.14 0.19 -0.87 0.92 3.20 -0.90 -2.24 116.97 117.14 3ia7 h TYR 180 Ca 0.06 0.03 0.11 0.00 3.14 0.00 0.00 58.73 62.08 3ia7 h TYR 180 Cb 0.23 -0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.43 3ia7 h TYR 180 CO -0.20 -0.01 0.56 2.35 -1.64 0.00 0.00 178.16 179.22 3ia7 h TRP 181 N 0.26 0.87 -0.01 -3.82 2.91 -1.05 -1.90 115.95 113.21 3ia7 h TRP 181 Ca 0.28 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.33 3ia7 h TRP 181 Cb 0.39 -0.28 0.00 0.00 -0.51 0.00 0.00 29.16 28.76 3ia7 h TRP 181 CO -0.23 0.38 -0.13 -0.25 -1.03 0.00 0.00 178.44 177.18 3ia7 n ASP 182 N -4.53 0.90 -4.76 2.65 8.00 -0.87 -4.95 116.55 112.98 3ia7 n ASP 182 Ca 0.15 -0.94 -0.39 0.00 0.71 0.00 0.00 54.79 54.32 3ia7 n ASP 182 Cb 0.36 0.03 0.01 0.00 -0.02 0.00 0.00 41.12 41.49 3ia7 n ASP 182 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3ia7 s GLU 183 N -2.34 3.68 -0.13 -1.24 2.02 -0.72 -4.95 118.70 115.02 3ia7 s GLU 183 Ca 0.31 2.10 -0.14 0.00 0.02 0.00 0.00 54.97 57.25 3ia7 s GLU 183 Cb 0.20 -2.53 -0.05 0.00 0.10 0.00 0.00 34.13 31.85 3ia7 s GLU 183 CO 0.45 -0.71 0.33 0.42 0.02 0.00 0.00 175.26 175.76 3ia7 s ILE 184 N -1.34 5.27 0.66 -1.63 1.01 -1.26 -5.08 121.20 118.82 3ia7 s ILE 184 Ca 0.63 0.63 -0.16 0.00 0.00 0.00 0.00 60.65 61.74 3ia7 s ILE 184 Cb -0.37 -3.66 -0.00 0.00 0.01 0.00 0.00 42.46 38.45 3ia7 s ILE 184 CO 0.45 0.41 1.15 -0.70 0.00 0.00 0.00 174.94 176.26 3ia7 s GLU 185 N 0.22 2.70 0.46 2.79 2.56 -1.26 -4.94 118.70 121.24 3ia7 s GLU 185 Ca 0.19 1.59 0.15 0.00 0.00 0.00 0.00 54.97 56.90 3ia7 s GLU 185 Cb -0.14 -1.92 1.09 0.00 2.00 0.00 0.00 34.13 35.17 3ia7 s GLU 185 CO 0.06 -1.36 2.01 0.78 -0.56 0.00 0.00 175.26 176.19 3ia7 h GLY 186 N 0.21 0.42 -5.82 -1.50 0.00 -1.93 -3.41 103.07 91.04 3ia7 h GLY 186 Ca -0.48 -0.13 -0.20 0.00 0.00 0.00 0.00 47.33 46.52 3ia7 h GLY 186 CO 0.53 0.09 -0.52 -2.27 0.00 0.00 0.00 176.54 174.37 3ia7 s LEU 187 N -9.24 0.85 -0.10 3.11 2.96 -1.26 -4.72 118.68 110.28 3ia7 s LEU 187 Ca -0.07 0.41 0.01 0.00 -0.22 0.00 0.00 54.13 54.26 3ia7 s LEU 187 Cb 0.19 0.61 0.02 0.00 0.50 0.00 0.00 46.19 47.51 3ia7 s LEU 187 CO 0.73 -0.12 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.65 3ia7 s THR 188 N 0.75 1.16 -0.31 3.68 2.01 0.49 -0.60 115.64 122.82 3ia7 s THR 188 Ca -0.05 -0.41 -0.12 0.00 0.31 0.00 0.00 61.69 61.41 3ia7 s THR 188 Cb -0.07 -1.12 -0.03 0.00 0.01 0.00 0.00 72.50 71.29 3ia7 s THR 188 CO -0.04 0.38 0.21 -0.63 -0.69 0.00 0.00 174.62 173.85 3ia7 s ILE 189 N 1.31 5.26 -0.20 1.82 -1.09 0.57 -0.32 121.20 128.55 3ia7 s ILE 189 Ca -0.02 -0.05 -0.04 0.00 -2.23 0.00 0.00 60.65 58.31 3ia7 s ILE 189 Cb -0.14 -3.61 -0.02 0.00 -1.58 0.00 0.00 42.46 37.11 3ia7 s ILE 189 CO -0.04 0.11 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.05 3ia7 s VAL 190 N 1.73 3.60 -0.27 2.92 1.01 -0.02 -0.93 120.40 128.44 3ia7 s VAL 190 Ca 0.06 -0.43 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 3ia7 s VAL 190 Cb -0.17 -2.62 0.03 0.00 0.00 0.00 0.00 36.38 33.62 3ia7 s VAL 190 CO 0.11 0.44 2.65 0.49 0.00 0.00 0.00 175.10 178.78 3ia7 n PHE 191 N 4.39 1.06 -4.13 5.22 3.72 0.16 -0.99 117.46 126.89 3ia7 n PHE 191 Ca -0.18 -1.75 -0.13 0.00 -0.05 0.00 0.00 57.45 55.34 3ia7 n PHE 191 Cb 0.51 -1.20 -0.11 0.00 -0.94 0.00 0.00 39.48 37.74 3ia7 n PHE 191 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3ia7 s LEU 192 N -1.36 2.36 0.41 4.37 1.43 -1.25 -3.16 118.68 121.47 3ia7 s LEU 192 Ca 0.46 -0.74 -0.24 0.00 -1.03 0.00 0.00 54.13 52.57 3ia7 s LEU 192 Cb 0.29 -0.20 -0.09 0.00 0.03 0.00 0.00 46.19 46.22 3ia7 s LEU 192 CO -0.09 -0.28 1.10 -2.16 0.23 0.00 0.00 176.35 175.15 3ia7 s PRO 193 N -2.48 4.08 0.39 1.29 0.04 -1.26 -1.72 135.00 135.33 3ia7 s PRO 193 Ca 0.00 1.64 0.10 0.00 0.04 0.00 0.00 61.00 62.78 3ia7 s PRO 193 Cb -0.04 -2.57 0.87 0.00 0.04 0.00 0.00 34.50 32.80 3ia7 s PRO 193 CO -0.01 -0.24 1.93 -0.22 0.04 0.00 0.00 177.00 178.50 3ia7 h LYS 194 N 2.50 0.59 0.00 4.56 3.64 -1.87 -0.90 116.57 125.09 3ia7 h LYS 194 Ca -0.48 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 3ia7 h LYS 194 Cb 1.22 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 3ia7 h LYS 194 CO 0.62 0.39 0.00 0.66 -2.27 0.00 0.00 179.45 178.85 3ia7 h SER 195 N 0.61 0.00 1.44 4.20 4.64 -1.94 -1.32 113.55 121.19 3ia7 h SER 195 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 3ia7 h SER 195 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3ia7 h SER 195 CO -0.13 0.00 -0.19 0.15 -0.87 0.00 0.00 176.83 175.79 3ia7 h PHE 196 N 0.00 0.00 -3.04 4.77 3.57 -1.54 -3.46 116.94 117.24 3ia7 h PHE 196 Ca 0.00 0.00 -0.56 0.00 3.53 0.00 0.00 57.97 60.94 3ia7 h PHE 196 Cb 0.37 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 3ia7 h PHE 196 CO 0.00 0.00 0.76 -1.14 -2.23 0.00 0.00 178.31 175.70 3ia7 s GLN 197 N -3.16 4.32 0.34 1.11 2.00 -0.50 -5.02 119.66 118.75 3ia7 s GLN 197 Ca 0.08 1.65 -0.29 0.00 -2.00 0.00 0.00 55.36 54.81 3ia7 s GLN 197 Cb 0.11 -3.62 -0.12 0.00 0.80 0.00 0.00 33.01 30.18 3ia7 s GLN 197 CO 0.65 -0.52 1.49 -2.30 -0.50 0.00 0.00 175.29 174.10 3ia7 n PRO 198 N 5.64 2.57 -2.77 1.67 -0.02 -1.26 -2.32 135.00 138.50 3ia7 n PRO 198 Ca 0.12 0.90 -0.19 0.00 -2.02 0.00 0.00 63.50 62.31 3ia7 n PRO 198 Cb 0.46 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 3ia7 n PRO 198 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3ia7 n PHE 199 N 1.04 -1.54 -0.33 6.00 3.72 -1.26 -4.88 117.46 120.20 3ia7 n PHE 199 Ca 0.05 0.23 0.16 0.00 -0.05 0.00 0.00 57.45 57.84 3ia7 n PHE 199 Cb 0.37 -3.53 0.36 0.00 -0.94 0.00 0.00 39.48 35.74 3ia7 n PHE 199 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ia7 h ALA 200 N 1.00 1.66 0.00 4.37 0.00 -1.76 -1.00 119.26 123.53 3ia7 h ALA 200 Ca -0.43 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3ia7 h ALA 200 Cb 1.30 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3ia7 h ALA 200 CO 0.50 -0.32 0.00 1.05 0.00 0.00 0.00 179.25 180.48 3ia7 h GLU 201 N 0.49 0.00 -0.01 0.00 4.11 -1.90 -2.13 114.58 115.15 3ia7 h GLU 201 Ca 0.62 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.05 3ia7 h GLU 201 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3ia7 h GLU 201 CO -0.51 0.00 -0.25 0.25 0.07 0.00 0.00 179.01 178.57 3ia7 n THR 202 N -2.99 0.00 -3.16 -1.06 -2.24 -0.38 -4.85 114.28 99.60 3ia7 n THR 202 Ca -0.02 -0.12 -0.41 0.00 -2.27 0.00 0.00 64.05 61.24 3ia7 n THR 202 Cb 0.10 0.34 -0.07 0.00 -2.10 0.00 0.00 70.33 68.60 3ia7 n THR 202 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3ia7 s PHE 203 N -2.52 3.25 0.31 4.78 0.08 -0.80 -5.02 117.98 118.06 3ia7 s PHE 203 Ca 0.24 0.66 -0.05 0.00 0.12 0.00 0.00 56.93 57.90 3ia7 s PHE 203 Cb 0.19 -2.84 0.07 0.00 -0.57 0.00 0.00 43.02 39.87 3ia7 s PHE 203 CO 0.52 -0.36 0.39 -0.40 -0.10 0.00 0.00 175.22 175.27 3ia7 n ASP 204 N 5.70 -0.25 0.06 1.36 5.68 -1.26 -4.87 116.55 122.97 3ia7 n ASP 204 Ca -0.02 -1.05 0.08 0.00 -0.50 0.00 0.00 54.79 53.30 3ia7 n ASP 204 Cb 0.49 -0.31 0.36 0.00 -1.14 0.00 0.00 41.12 40.52 3ia7 n ASP 204 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3ia7 n GLU 205 N -1.99 0.08 0.00 0.11 0.00 -1.26 -1.44 120.64 116.13 3ia7 n GLU 205 Ca 0.05 0.38 0.05 0.00 0.00 0.00 0.00 57.16 57.64 3ia7 n GLU 205 Cb 0.18 -1.67 0.24 0.00 0.00 0.00 0.00 31.44 30.19 3ia7 n GLU 205 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3ia7 n ARG 206 N -1.82 0.04 -3.89 3.44 1.74 -1.26 -4.59 116.66 110.33 3ia7 n ARG 206 Ca 0.02 0.28 -0.35 0.00 -0.77 0.00 0.00 57.85 57.03 3ia7 n ARG 206 Cb 0.15 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 29.96 3ia7 n ARG 206 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3ia7 s PHE 207 N -2.88 2.99 -0.31 -1.55 0.08 -0.52 -0.38 117.98 115.41 3ia7 s PHE 207 Ca 0.07 -0.92 -0.10 0.00 0.12 0.00 0.00 56.93 56.10 3ia7 s PHE 207 Cb 0.07 -2.12 -0.01 0.00 -0.57 0.00 0.00 43.02 40.39 3ia7 s PHE 207 CO 0.19 -0.54 0.15 0.00 -0.10 0.00 0.00 175.22 174.92 3ia7 s ALA 208 N 1.48 3.28 -0.90 5.36 0.00 0.56 -4.91 121.76 126.64 3ia7 s ALA 208 Ca 0.05 -1.35 -0.18 0.00 0.00 0.00 0.00 51.96 50.48 3ia7 s ALA 208 Cb -0.15 -2.37 0.14 0.00 0.00 0.00 0.00 23.12 20.74 3ia7 s ALA 208 CO -0.02 -0.86 1.07 -0.06 0.00 0.00 0.00 175.76 175.89 3ia7 s PHE 209 N 1.62 3.16 -1.40 0.00 0.08 -1.26 -0.84 117.98 119.34 3ia7 s PHE 209 Ca 0.05 -1.41 0.26 0.00 0.12 0.00 0.00 56.93 55.95 3ia7 s PHE 209 Cb -0.17 -4.23 0.64 0.00 -0.57 0.00 0.00 43.02 38.69 3ia7 s PHE 209 CO 0.06 -1.44 1.49 1.33 -0.10 0.00 0.00 175.22 176.57 3ia7 n VAL 210 N 5.36 0.00 -0.19 -0.44 0.24 -0.16 -4.51 118.33 118.63 3ia7 n VAL 210 Ca 0.21 -0.07 0.03 0.00 -2.04 0.00 0.00 64.34 62.47 3ia7 n VAL 210 Cb 0.49 0.33 -0.01 0.00 -1.47 0.00 0.00 33.84 33.18 3ia7 n VAL 210 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ia7 n GLY 211 N 1.41 -1.42 3.78 7.63 0.00 -0.70 -0.79 105.19 115.10 3ia7 n GLY 211 Ca 0.09 -1.48 -0.32 0.00 0.00 0.00 0.00 46.02 44.30 3ia7 n GLY 211 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ia7 s PRO 212 N -1.26 2.75 0.08 1.61 0.04 -1.19 -3.97 135.00 133.06 3ia7 s PRO 212 Ca 0.00 1.28 -0.30 0.00 0.04 0.00 0.00 61.00 62.02 3ia7 s PRO 212 Cb 0.00 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.54 3ia7 s PRO 212 CO 0.00 -1.27 1.01 0.99 0.04 0.00 0.00 177.00 177.77 3ia7 s THR 213 N -2.53 4.48 0.96 1.26 2.01 -1.26 -4.76 115.64 115.80 3ia7 s THR 213 Ca 0.65 1.95 -0.16 0.00 0.31 0.00 0.00 61.69 64.43 3ia7 s THR 213 Cb -0.19 -4.25 0.20 0.00 0.01 0.00 0.00 72.50 68.28 3ia7 s THR 213 CO 0.45 0.25 1.32 -0.76 -0.69 0.00 0.00 174.62 175.19 3ia7 s LEU 214 N 0.35 2.69 0.35 4.42 2.01 -1.26 -5.06 118.68 122.18 3ia7 s LEU 214 Ca 0.50 0.28 0.09 0.00 0.01 0.00 0.00 54.13 55.00 3ia7 s LEU 214 Cb -0.24 -2.32 -0.06 0.00 0.01 0.00 0.00 46.19 43.58 3ia7 s LEU 214 CO 0.30 -2.74 0.02 0.28 1.01 0.00 0.00 176.35 175.22 3ia7 s THR 215 N -3.88 2.54 0.00 5.49 -1.32 -1.26 -5.17 115.64 112.04 3ia7 s THR 215 Ca 0.74 -1.96 0.00 0.00 -1.21 0.00 0.00 61.69 59.26 3ia7 s THR 215 Cb -0.04 -2.82 0.00 0.00 -1.51 0.00 0.00 72.50 68.13 3ia7 s THR 215 CO 0.53 -0.17 0.00 0.61 -2.21 0.00 0.00 174.62 173.38 3ia7 n GLY 216 N -0.98 4.09 0.16 6.08 0.00 -1.26 -5.05 105.19 108.23 3ia7 n GLY 216 Ca -0.04 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.93 3ia7 n GLY 216 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ia7 n PRO 221 N -0.02 0.00 -3.89 1.61 -0.02 -1.26 -5.03 135.00 126.39 3ia7 n PRO 221 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.12 3ia7 n PRO 221 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.41 3ia7 n PRO 221 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3ia7 s GLY 222 N 0.00 2.07 0.33 -1.23 0.00 -1.26 -5.00 107.32 102.22 3ia7 s GLY 222 Ca 0.00 -0.68 -0.29 0.00 0.00 0.00 0.00 44.72 43.75 3ia7 s GLY 222 CO 0.00 -0.18 1.27 0.86 0.00 0.00 0.00 173.10 175.05 3ia7 s TRP 223 N -0.40 3.13 0.10 1.90 -0.00 -1.26 -5.06 118.94 117.34 3ia7 s TRP 223 Ca 0.11 1.46 0.09 0.00 -0.00 0.00 0.00 56.10 57.76 3ia7 s TRP 223 Cb -0.12 -3.61 -0.03 0.00 -0.00 0.00 0.00 33.47 29.71 3ia7 s TRP 223 CO 0.01 -1.64 -0.22 -0.65 -0.00 0.00 0.00 176.95 174.45 3ia7 s GLN 224 N -1.76 1.21 0.78 5.86 -1.52 -1.26 -4.74 119.66 118.23 3ia7 s GLN 224 Ca 0.49 -1.17 -0.11 0.00 -1.95 0.00 0.00 55.36 52.61 3ia7 s GLN 224 Cb -0.38 -1.50 0.06 0.00 -0.22 0.00 0.00 33.01 30.96 3ia7 s GLN 224 CO 0.51 0.36 1.08 -1.25 -0.25 0.00 0.00 175.29 175.73 3ia7 s PRO 225 N -1.85 2.23 0.41 2.91 0.04 -1.26 -4.96 135.00 132.51 3ia7 s PRO 225 Ca 0.08 0.92 0.22 0.00 0.04 0.00 0.00 61.00 62.26 3ia7 s PRO 225 Cb -0.10 -1.91 0.72 0.00 0.04 0.00 0.00 34.50 33.25 3ia7 s PRO 225 CO 0.04 -1.59 1.74 -1.00 0.04 0.00 0.00 177.00 176.23 3ia7 h PRO 226 N -1.08 0.00 -4.14 0.56 0.13 -2.00 -3.44 132.00 122.03 3ia7 h PRO 226 Ca -0.45 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.50 3ia7 h PRO 226 Cb 1.24 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.18 3ia7 h PRO 226 CO 0.55 0.27 -0.70 1.03 -0.23 0.00 0.00 178.00 178.92 3ia7 s ARG 227 N -3.50 0.42 0.26 0.86 0.52 -1.26 -5.04 118.95 111.21 3ia7 s ARG 227 Ca 0.02 -0.77 -0.01 0.00 -0.52 0.00 0.00 55.73 54.45 3ia7 s ARG 227 Cb 0.09 0.06 0.54 0.00 0.52 0.00 0.00 34.95 36.16 3ia7 s ARG 227 CO 0.66 -0.05 1.76 -1.35 0.02 0.00 0.00 175.30 176.35 3ia7 h PRO 228 N 4.29 0.61 -0.30 3.54 0.11 -2.03 -2.44 132.00 135.78 3ia7 h PRO 228 Ca -0.33 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3ia7 h PRO 228 Cb 1.19 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3ia7 h PRO 228 CO 0.46 0.40 0.00 -0.25 -0.21 0.00 0.00 178.00 178.40 3ia7 n ASP 229 N -4.87 3.76 -4.67 -2.05 8.00 -1.26 -5.00 116.55 110.46 3ia7 n ASP 229 Ca 0.17 -2.77 -0.46 0.00 0.71 0.00 0.00 54.79 52.44 3ia7 n ASP 229 Cb 0.44 -0.48 -0.04 0.00 -0.02 0.00 0.00 41.12 41.02 3ia7 n ASP 229 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ia7 n ALA 230 N -0.19 1.32 -2.28 2.24 0.00 -0.92 -4.92 120.51 115.76 3ia7 n ALA 230 Ca 0.19 0.45 -0.42 0.00 0.00 0.00 0.00 53.44 53.66 3ia7 n ALA 230 Cb 0.80 -2.34 -0.03 0.00 0.00 0.00 0.00 19.45 17.88 3ia7 n ALA 230 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3ia7 s PRO 231 N 0.82 4.26 -0.11 0.00 0.02 -1.26 -4.90 135.00 133.82 3ia7 s PRO 231 Ca 0.78 1.87 -0.01 0.00 0.02 0.00 0.00 61.00 63.66 3ia7 s PRO 231 Cb -0.68 -3.71 -0.03 0.00 0.02 0.00 0.00 34.50 30.10 3ia7 s PRO 231 CO 0.39 -0.65 -0.07 0.08 -0.33 0.00 0.00 177.00 176.42 3ia7 s VAL 232 N 3.04 3.68 -0.13 3.83 1.01 -1.26 -0.84 120.40 129.73 3ia7 s VAL 232 Ca 0.62 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.14 3ia7 s VAL 232 Cb -0.28 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.53 3ia7 s VAL 232 CO 0.23 0.54 -0.13 -0.22 0.00 0.00 0.00 175.10 175.52 3ia7 s LEU 233 N -0.13 2.71 -0.19 3.92 2.96 -0.49 -0.56 118.68 126.89 3ia7 s LEU 233 Ca 0.02 -0.32 -0.11 0.00 -0.22 0.00 0.00 54.13 53.50 3ia7 s LEU 233 Cb -0.13 -1.61 -0.05 0.00 0.50 0.00 0.00 46.19 44.90 3ia7 s LEU 233 CO 0.03 0.17 0.16 -0.22 -1.32 0.00 0.00 176.35 175.16 3ia7 s LEU 234 N 0.31 4.22 -0.15 -0.68 2.96 -1.02 -0.78 118.68 123.55 3ia7 s LEU 234 Ca -0.10 0.28 0.01 0.00 -0.22 0.00 0.00 54.13 54.09 3ia7 s LEU 234 Cb -0.16 -2.13 0.00 0.00 0.50 0.00 0.00 46.19 44.40 3ia7 s LEU 234 CO 0.06 0.17 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.39 3ia7 s VAL 235 N 0.35 2.45 -0.13 1.68 1.01 0.18 -0.11 120.40 125.83 3ia7 s VAL 235 Ca 0.09 -0.85 -0.12 0.00 0.00 0.00 0.00 61.98 61.11 3ia7 s VAL 235 Cb -0.11 -2.02 0.04 0.00 0.00 0.00 0.00 36.38 34.29 3ia7 s VAL 235 CO -0.01 0.53 0.35 -0.55 0.00 0.00 0.00 175.10 175.42 3ia7 s SER 236 N 0.79 -0.37 -0.06 3.32 0.15 -0.38 -0.66 113.70 116.49 3ia7 s SER 236 Ca -0.06 0.71 0.10 0.00 0.70 0.00 0.00 55.95 57.40 3ia7 s SER 236 Cb -0.15 0.70 0.25 0.00 -1.71 0.00 0.00 66.02 65.11 3ia7 s SER 236 CO -0.00 -0.13 1.18 0.18 1.20 0.00 0.00 173.24 175.67 3ia7 n LEU 237 N 3.08 2.69 0.00 3.45 4.77 -1.25 -3.28 117.00 126.45 3ia7 n LEU 237 Ca -0.14 -2.43 0.00 0.00 -0.03 0.00 0.00 56.01 53.41 3ia7 n LEU 237 Cb 0.57 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3ia7 n LEU 237 CO 0.14 0.64 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 3ia7 n GLY 238 N -0.43 -2.05 3.09 -0.72 0.00 -1.26 -4.49 105.19 99.33 3ia7 n GLY 238 Ca 0.11 -1.46 -0.43 0.00 0.00 0.00 0.00 46.02 44.24 3ia7 n GLY 238 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ia7 n ASN 239 N 0.88 4.96 -4.67 1.61 5.15 -1.26 -4.17 115.26 117.76 3ia7 n ASN 239 Ca 0.00 -3.02 -0.42 0.00 -0.60 0.00 0.00 54.58 50.54 3ia7 n ASN 239 Cb 0.00 -1.55 -0.03 0.00 -0.53 0.00 0.00 39.78 37.67 3ia7 n ASN 239 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3ia7 s GLN 240 N 1.44 4.24 0.59 1.20 -1.52 -1.26 -4.87 119.66 119.48 3ia7 s GLN 240 Ca 0.43 1.92 0.36 0.00 -1.95 0.00 0.00 55.36 56.11 3ia7 s GLN 240 Cb 0.06 -3.75 1.86 0.00 -0.22 0.00 0.00 33.01 30.96 3ia7 s GLN 240 CO -0.00 -0.69 2.19 0.74 -0.25 0.00 0.00 175.29 177.28 3ia7 h PHE 241 N 8.43 0.00 -2.82 0.91 -1.00 -1.97 -3.41 116.94 117.09 3ia7 h PHE 241 Ca -0.34 0.00 -0.64 0.00 2.81 0.00 0.00 57.97 59.80 3ia7 h PHE 241 Cb 1.15 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 40.66 3ia7 h PHE 241 CO 0.81 0.04 -0.43 -0.80 -1.61 0.00 0.00 178.31 176.31 3ia7 s ASN 242 N -5.67 6.45 -0.46 2.17 0.01 -1.26 -5.04 114.94 111.13 3ia7 s ASN 242 Ca -0.03 0.49 -0.26 0.00 -0.71 0.00 0.00 52.86 52.36 3ia7 s ASN 242 Cb 0.12 -2.07 0.03 0.00 0.41 0.00 0.00 41.25 39.74 3ia7 s ASN 242 CO 0.50 0.30 0.93 -1.61 -1.51 0.00 0.00 177.10 175.71 3ia7 s GLU 243 N -1.60 3.54 -0.70 -0.60 8.01 -1.26 -4.95 118.70 121.14 3ia7 s GLU 243 Ca 0.24 0.18 0.03 0.00 0.01 0.00 0.00 54.97 55.43 3ia7 s GLU 243 Cb -0.13 -3.92 0.34 0.00 -4.31 0.00 0.00 34.13 26.11 3ia7 s GLU 243 CO 0.14 -1.22 1.23 0.72 0.01 0.00 0.00 175.26 176.14 3ia7 n HIS 244 N 7.18 3.64 0.01 1.61 8.25 -1.26 -4.88 115.22 129.77 3ia7 n HIS 244 Ca 0.06 -3.50 -0.02 0.00 -0.26 0.00 0.00 57.72 54.00 3ia7 n HIS 244 Cb 0.48 -0.68 0.25 0.00 1.12 0.00 0.00 29.99 31.17 3ia7 n HIS 244 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3ia7 h PRO 245 N 3.30 0.50 -0.70 -0.41 0.13 -1.98 -2.90 132.00 129.94 3ia7 h PRO 245 Ca 0.27 -0.14 0.05 0.00 -0.87 0.00 0.00 66.00 65.30 3ia7 h PRO 245 Cb 0.46 -0.05 -0.05 0.00 0.13 0.00 0.00 31.00 31.49 3ia7 h PRO 245 CO 0.94 0.62 0.41 1.05 -0.23 0.00 0.00 178.00 180.79 3ia7 h GLU 246 N 0.46 0.76 -0.02 0.86 9.09 -1.98 0.00 114.58 123.75 3ia7 h GLU 246 Ca 0.09 -0.05 -0.00 0.00 0.05 0.00 0.00 59.36 59.45 3ia7 h GLU 246 Cb 0.49 -0.17 -0.00 0.00 -1.65 0.00 0.00 28.75 27.42 3ia7 h GLU 246 CO 0.03 0.50 0.01 0.35 0.05 0.00 0.00 179.01 179.95 3ia7 h PHE 247 N 0.78 0.03 -0.74 2.06 3.57 -1.92 0.40 116.94 121.11 3ia7 h PHE 247 Ca 0.30 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.78 3ia7 h PHE 247 Cb 0.13 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 3ia7 h PHE 247 CO -0.06 0.09 0.38 0.74 -2.23 0.00 0.00 178.31 177.23 3ia7 h PHE 248 N -0.04 1.04 -0.71 0.41 0.04 -1.40 0.04 116.94 116.31 3ia7 h PHE 248 Ca 0.01 -0.04 0.01 0.00 2.80 0.00 0.00 57.97 60.75 3ia7 h PHE 248 Cb 0.07 -0.33 -0.04 0.00 2.20 0.00 0.00 35.95 37.85 3ia7 h PHE 248 CO -0.05 0.75 0.47 0.00 -0.60 0.00 0.00 178.31 178.87 3ia7 h ARG 249 N 1.02 0.93 -0.88 1.51 3.08 -0.81 -0.31 114.38 118.92 3ia7 h ARG 249 Ca 0.26 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.26 3ia7 h ARG 249 Cb 0.08 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 29.88 3ia7 h ARG 249 CO -0.04 0.61 0.58 0.00 -1.07 0.00 0.00 179.97 180.06 3ia7 h ALA 250 N 1.27 1.12 -0.52 0.04 0.00 -0.38 0.83 119.26 121.62 3ia7 h ALA 250 Ca 0.27 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3ia7 h ALA 250 Cb -0.09 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.33 3ia7 h ALA 250 CO -0.07 0.51 0.17 0.00 0.00 0.00 0.00 179.25 179.86 3ia7 h ALA 252 N 1.03 0.24 -0.74 0.00 0.00 -0.62 -2.77 119.26 116.40 3ia7 h ALA 252 Ca 0.17 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.04 3ia7 h ALA 252 Cb 0.27 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 3ia7 h ALA 252 CO -0.01 -0.17 0.42 1.96 0.00 0.00 0.00 179.25 181.45 3ia7 h GLN 253 N 0.14 0.73 -0.94 0.00 4.20 -0.70 -2.23 115.11 116.31 3ia7 h GLN 253 Ca 0.06 -0.04 0.14 0.00 0.06 0.00 0.00 58.65 58.86 3ia7 h GLN 253 Cb 0.18 -0.17 -0.08 0.00 0.30 0.00 0.00 27.48 27.72 3ia7 h GLN 253 CO -0.00 0.49 0.60 0.00 -0.67 0.00 0.00 178.83 179.24 3ia7 h ALA 254 N 1.38 1.71 -0.09 3.87 0.00 -0.73 -3.04 119.26 122.36 3ia7 h ALA 254 Ca 0.34 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3ia7 h ALA 254 Cb 0.23 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3ia7 h ALA 254 CO -0.20 0.04 0.00 1.19 0.00 0.00 0.00 179.25 180.28 3ia7 n PHE 255 N -4.60 0.10 -1.67 0.00 3.72 -1.05 -4.70 117.46 109.26 3ia7 n PHE 255 Ca 0.18 -0.09 -0.45 0.00 -0.05 0.00 0.00 57.45 57.05 3ia7 n PHE 255 Cb 0.44 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.95 3ia7 n PHE 255 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ia7 n ALA 256 N 0.77 1.12 -3.70 4.37 0.00 -0.87 -2.42 120.51 119.78 3ia7 n ALA 256 Ca 0.09 0.42 -0.26 0.00 0.00 0.00 0.00 53.44 53.69 3ia7 n ALA 256 Cb 0.36 -2.28 0.06 0.00 0.00 0.00 0.00 19.45 17.60 3ia7 n ALA 256 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ia7 n ASP 257 N 2.27 -5.92 -4.33 0.00 8.00 -1.26 -5.01 116.55 110.29 3ia7 n ASP 257 Ca 0.12 -0.61 -0.17 0.00 0.71 0.00 0.00 54.79 54.83 3ia7 n ASP 257 Cb 0.31 -4.68 -0.10 0.00 -0.02 0.00 0.00 41.12 36.63 3ia7 n ASP 257 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3ia7 s THR 258 N -3.31 1.30 -1.73 -3.53 -4.23 -1.02 -5.05 115.64 98.08 3ia7 s THR 258 Ca 0.62 -2.09 0.20 0.00 -1.18 0.00 0.00 61.69 59.24 3ia7 s THR 258 Cb -0.28 -2.20 0.47 0.00 1.34 0.00 0.00 72.50 71.83 3ia7 s THR 258 CO 0.76 -0.47 1.62 -2.65 -0.54 0.00 0.00 174.62 173.35 3ia7 n PRO 259 N -0.39 0.47 -1.83 3.99 -0.02 -1.26 -4.84 135.00 131.12 3ia7 n PRO 259 Ca -0.07 0.05 -0.35 0.00 -2.02 0.00 0.00 63.50 61.11 3ia7 n PRO 259 Cb 0.62 -1.50 0.05 0.00 -0.02 0.00 0.00 33.50 32.65 3ia7 n PRO 259 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3ia7 s TRP 260 N -2.27 2.37 -0.17 6.00 0.52 -1.26 -4.37 118.94 119.76 3ia7 s TRP 260 Ca 0.25 1.55 0.00 0.00 0.02 0.00 0.00 56.10 57.92 3ia7 s TRP 260 Cb 0.14 -3.40 0.00 0.00 -1.15 0.00 0.00 33.47 29.06 3ia7 s TRP 260 CO 0.27 -2.16 -0.15 -1.58 0.02 0.00 0.00 176.95 173.35 3ia7 s HIS 261 N -1.87 2.80 -0.16 -1.98 5.65 -0.02 -4.84 115.29 114.86 3ia7 s HIS 261 Ca 0.74 -1.19 -0.03 0.00 0.25 0.00 0.00 55.06 54.83 3ia7 s HIS 261 Cb -0.27 -1.92 -0.02 0.00 -1.18 0.00 0.00 32.58 29.19 3ia7 s HIS 261 CO 0.37 -0.57 -0.07 0.08 -0.65 0.00 0.00 174.74 173.90 3ia7 s VAL 262 N 1.02 3.54 0.52 0.89 1.01 0.47 -1.40 120.40 126.43 3ia7 s VAL 262 Ca -0.02 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 61.53 3ia7 s VAL 262 Cb -0.15 -2.54 0.04 0.00 0.00 0.00 0.00 36.38 33.73 3ia7 s VAL 262 CO -0.04 0.49 0.35 0.52 0.00 0.00 0.00 175.10 176.42 3ia7 n VAL 263 N 3.78 0.00 -3.24 2.92 0.31 0.04 -0.86 118.33 121.28 3ia7 n VAL 263 Ca -0.18 -2.08 0.04 0.00 -0.01 0.00 0.00 64.34 62.11 3ia7 n VAL 263 Cb 0.52 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.43 3ia7 n VAL 263 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ia7 s ALA 265 N -2.75 -2.89 -1.96 3.52 0.00 0.17 -0.64 121.76 117.21 3ia7 s ALA 265 Ca 0.26 1.75 0.18 0.00 0.00 0.00 0.00 51.96 54.16 3ia7 s ALA 265 Cb -0.02 -2.26 0.06 0.00 0.00 0.00 0.00 23.12 20.90 3ia7 s ALA 265 CO 0.17 -1.26 1.00 0.44 0.00 0.00 0.00 175.76 176.10 3ia7 n ILE 266 N 5.32 0.00 0.00 0.00 -5.35 0.12 -3.90 119.36 115.56 3ia7 n ILE 266 Ca -0.06 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 62.02 3ia7 n ILE 266 Cb 0.52 1.29 0.00 0.00 -1.74 0.00 0.00 39.64 39.72 3ia7 n ILE 266 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ia7 n GLY 267 N 1.15 -1.32 0.64 3.28 0.00 -0.34 -4.41 105.19 104.19 3ia7 n GLY 267 Ca 0.09 -1.56 0.11 0.00 0.00 0.00 0.00 46.02 44.66 3ia7 n GLY 267 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ia7 n GLY 268 N -1.27 0.48 0.30 -0.02 0.00 -1.26 -3.68 105.19 99.74 3ia7 n GLY 268 Ca 0.00 -0.47 0.05 0.00 0.00 0.00 0.00 46.02 45.60 3ia7 n GLY 268 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ia7 n PHE 269 N 0.49 0.00 -4.65 1.61 3.72 -1.26 -4.95 117.46 112.42 3ia7 n PHE 269 Ca 0.17 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.25 3ia7 n PHE 269 Cb 0.37 0.00 -0.17 0.00 -0.94 0.00 0.00 39.48 38.75 3ia7 n PHE 269 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3ia7 s LEU 270 N -1.11 2.02 -0.12 4.37 2.96 -1.24 -4.93 118.68 120.62 3ia7 s LEU 270 Ca 0.09 -0.56 -0.29 0.00 -0.22 0.00 0.00 54.13 53.15 3ia7 s LEU 270 Cb 0.08 -1.36 -0.03 0.00 0.50 0.00 0.00 46.19 45.38 3ia7 s LEU 270 CO 0.16 0.07 1.35 -0.62 -1.32 0.00 0.00 176.35 175.99 3ia7 s ASP 271 N 0.83 6.89 0.59 3.68 -1.08 -1.26 -4.83 116.67 121.49 3ia7 s ASP 271 Ca -0.08 1.84 0.39 0.00 -0.52 0.00 0.00 52.55 54.18 3ia7 s ASP 271 Cb -0.16 -2.54 2.05 0.00 -1.46 0.00 0.00 42.92 40.82 3ia7 s ASP 271 CO -0.01 -0.78 2.19 1.55 0.52 0.00 0.00 175.17 178.64 3ia7 h PRO 272 N 8.39 0.00 0.00 4.34 0.13 -1.95 -1.30 132.00 141.61 3ia7 h PRO 272 Ca -0.30 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.79 3ia7 h PRO 272 Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 3ia7 h PRO 272 CO 0.96 0.00 -0.16 0.00 -0.23 0.00 0.00 178.00 178.57 3ia7 h ALA 273 N 2.01 1.64 -0.80 -0.56 0.00 -1.92 -2.71 119.26 116.91 3ia7 h ALA 273 Ca 0.00 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 54.87 3ia7 h ALA 273 Cb 0.09 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 3ia7 h ALA 273 CO 0.00 0.19 0.52 0.28 0.00 0.00 0.00 179.25 180.25 3ia7 h VAL 274 N 0.00 0.92 0.00 0.00 2.07 -1.64 -1.73 116.25 115.87 3ia7 h VAL 274 Ca -0.00 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 3ia7 h VAL 274 Cb 0.29 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.22 3ia7 h VAL 274 CO 0.02 0.13 -0.05 -0.07 0.02 0.00 0.00 177.57 177.62 3ia7 h LEU 275 N 0.70 0.00 0.00 2.57 3.38 -1.64 -3.49 115.31 116.83 3ia7 h LEU 275 Ca 0.38 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.36 3ia7 h LEU 275 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3ia7 h LEU 275 CO -0.15 0.05 -0.01 0.61 0.09 0.00 0.00 178.44 179.03 3ia7 n GLY 276 N -1.00 -2.03 3.68 0.83 0.00 -0.65 -4.86 105.19 101.16 3ia7 n GLY 276 Ca -0.02 -1.40 -0.46 0.00 0.00 0.00 0.00 46.02 44.13 3ia7 n GLY 276 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ia7 n PRO 277 N -0.45 2.25 -4.01 1.61 -0.02 -1.26 -4.95 135.00 128.16 3ia7 n PRO 277 Ca 0.00 0.81 -0.28 0.00 -2.02 0.00 0.00 63.50 62.01 3ia7 n PRO 277 Cb 0.01 -2.61 -0.05 0.00 -0.02 0.00 0.00 33.50 30.84 3ia7 n PRO 277 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3ia7 s LEU 278 N 1.55 4.02 0.83 2.45 1.43 -1.26 -5.11 118.68 122.58 3ia7 s LEU 278 Ca 0.81 0.04 -0.12 0.00 -1.03 0.00 0.00 54.13 53.83 3ia7 s LEU 278 Cb -0.65 -2.64 0.09 0.00 0.03 0.00 0.00 46.19 43.02 3ia7 s LEU 278 CO 0.39 0.11 1.18 -2.84 0.23 0.00 0.00 176.35 175.42 3ia7 s PRO 279 N -2.83 1.56 0.41 1.29 0.02 -1.26 -4.89 135.00 129.30 3ia7 s PRO 279 Ca 0.32 1.65 0.29 0.00 0.02 0.00 0.00 61.00 63.27 3ia7 s PRO 279 Cb -0.11 -1.78 1.37 0.00 0.02 0.00 0.00 34.50 34.00 3ia7 s PRO 279 CO 0.25 -2.25 1.87 -1.00 -0.33 0.00 0.00 177.00 175.54 3ia7 h PRO 280 N -1.14 0.00 -0.59 5.54 0.13 -2.00 -2.28 132.00 131.67 3ia7 h PRO 280 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3ia7 h PRO 280 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3ia7 h PRO 280 CO 0.46 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.50 3ia7 n ASN 281 N -2.57 5.22 -3.98 1.44 6.94 -1.26 -4.86 115.26 116.19 3ia7 n ASN 281 Ca -0.00 -2.73 -0.23 0.00 -0.02 0.00 0.00 54.58 51.59 3ia7 n ASN 281 Cb 0.16 -0.63 -0.17 0.00 -2.36 0.00 0.00 39.78 36.79 3ia7 n ASN 281 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3ia7 s VAL 282 N -2.37 0.97 0.01 3.53 1.01 -0.86 -0.40 120.40 122.30 3ia7 s VAL 282 Ca 0.52 -0.38 0.07 0.00 0.00 0.00 0.00 61.98 62.20 3ia7 s VAL 282 Cb 0.37 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.82 3ia7 s VAL 282 CO 0.19 0.32 -0.20 -1.83 0.00 0.00 0.00 175.10 173.58 3ia7 s GLU 283 N 0.79 1.51 -0.03 2.72 -1.05 -0.04 -4.64 118.70 117.95 3ia7 s GLU 283 Ca -0.13 -0.82 0.06 0.00 -0.15 0.00 0.00 54.97 53.93 3ia7 s GLU 283 Cb -0.15 -1.53 -0.01 0.00 -0.44 0.00 0.00 34.13 32.00 3ia7 s GLU 283 CO 0.02 0.41 -0.20 0.00 0.95 0.00 0.00 175.26 176.43 3ia7 s ALA 284 N -0.62 1.74 -0.00 -0.84 0.00 -1.26 -4.35 121.76 116.42 3ia7 s ALA 284 Ca 0.07 -0.86 -0.01 0.00 0.00 0.00 0.00 51.96 51.16 3ia7 s ALA 284 Cb -0.08 -0.50 -0.00 0.00 0.00 0.00 0.00 23.12 22.54 3ia7 s ALA 284 CO 0.00 0.38 0.02 -1.01 0.00 0.00 0.00 175.76 175.15 3ia7 s HIS 285 N -0.27 0.06 0.15 0.00 3.76 -1.26 -4.99 115.29 112.74 3ia7 s HIS 285 Ca 0.02 -0.12 -0.16 0.00 -0.15 0.00 0.00 55.06 54.65 3ia7 s HIS 285 Cb -0.10 -0.06 0.01 0.00 1.11 0.00 0.00 32.58 33.54 3ia7 s HIS 285 CO 0.01 -0.09 1.80 1.96 -0.85 0.00 0.00 174.74 177.57 3ia7 h GLN 286 N 5.50 0.52 -5.84 1.40 4.20 -1.88 0.37 115.11 119.38 3ia7 h GLN 286 Ca -0.27 -0.04 -0.54 0.00 0.06 0.00 0.00 58.65 57.86 3ia7 h GLN 286 Cb 1.21 -0.11 -0.25 0.00 0.30 0.00 0.00 27.48 28.62 3ia7 h GLN 286 CO 0.46 0.36 -0.83 -1.58 -0.67 0.00 0.00 178.83 176.57 3ia7 s TRP 287 N -6.11 1.63 0.04 2.96 0.51 -1.26 -1.20 118.94 115.51 3ia7 s TRP 287 Ca -0.13 -0.36 -0.03 0.00 -2.12 0.00 0.00 56.10 53.46 3ia7 s TRP 287 Cb 0.11 -0.97 -0.02 0.00 -0.81 0.00 0.00 33.47 31.77 3ia7 s TRP 287 CO 0.72 0.07 0.03 -1.50 -0.51 0.00 0.00 176.95 175.76 3ia7 s ILE 288 N -0.81 0.15 -0.47 2.03 1.10 -1.26 -5.05 121.20 116.90 3ia7 s ILE 288 Ca 0.06 -1.24 -0.28 0.00 -0.51 0.00 0.00 60.65 58.67 3ia7 s ILE 288 Cb -0.08 -0.89 0.03 0.00 0.15 0.00 0.00 42.46 41.67 3ia7 s ILE 288 CO 0.02 -0.68 1.10 -2.16 -2.11 0.00 0.00 174.94 171.10 3ia7 s PRO 289 N -2.65 3.70 0.21 3.50 0.04 -1.26 -4.88 135.00 133.67 3ia7 s PRO 289 Ca -0.05 0.51 -0.09 0.00 0.04 0.00 0.00 61.00 61.42 3ia7 s PRO 289 Cb -0.01 -3.91 0.24 0.00 0.04 0.00 0.00 34.50 30.86 3ia7 s PRO 289 CO -0.05 -1.34 1.82 0.74 0.04 0.00 0.00 177.00 178.21 3ia7 h PHE 290 N 9.17 0.75 -1.00 0.56 0.04 -2.00 -2.71 116.94 121.75 3ia7 h PHE 290 Ca -0.23 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.59 3ia7 h PHE 290 Cb 1.06 -0.24 -0.05 0.00 2.20 0.00 0.00 35.95 38.92 3ia7 h PHE 290 CO 0.96 0.38 0.66 1.12 -0.60 0.00 0.00 178.31 180.82 3ia7 h HIS 291 N 0.76 1.24 -0.51 -0.55 2.07 -1.96 0.22 115.15 116.42 3ia7 h HIS 291 Ca 0.30 0.03 -0.13 0.00 -2.85 0.00 0.00 60.37 57.73 3ia7 h HIS 291 Cb 0.14 -0.42 -0.01 0.00 2.57 0.00 0.00 27.41 29.69 3ia7 h HIS 291 CO -0.06 0.74 -0.17 0.77 -3.07 0.00 0.00 177.93 176.13 3ia7 h SER 292 N 1.30 1.03 -0.05 3.10 0.02 -1.84 -0.46 113.55 116.65 3ia7 h SER 292 Ca 0.39 -0.38 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 3ia7 h SER 292 Cb -0.06 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.20 3ia7 h SER 292 CO -0.11 1.17 -0.20 0.58 -1.14 0.00 0.00 176.83 177.14 3ia7 h VAL 293 N 0.88 1.45 -0.40 2.27 2.07 -1.21 -3.22 116.25 118.09 3ia7 h VAL 293 Ca 0.12 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 66.01 3ia7 h VAL 293 Cb 0.75 2.38 -0.02 0.00 -1.52 0.00 0.00 31.29 32.88 3ia7 h VAL 293 CO 0.06 0.46 0.26 -0.07 0.02 0.00 0.00 177.57 178.30 3ia7 h LEU 294 N -0.31 0.45 -2.61 2.57 3.38 -0.50 -0.82 115.31 117.46 3ia7 h LEU 294 Ca -0.01 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.96 3ia7 h LEU 294 Cb 0.84 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 3ia7 h LEU 294 CO 0.04 0.33 0.08 0.00 0.09 0.00 0.00 178.44 178.98 3ia7 h ALA 295 N 1.75 1.30 -0.00 1.53 0.00 -1.09 -2.12 119.26 120.64 3ia7 h ALA 295 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3ia7 h ALA 295 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3ia7 h ALA 295 CO -0.03 -0.09 -0.53 0.72 0.00 0.00 0.00 179.25 179.32 3ia7 n HIS 296 N -3.35 0.00 -2.40 0.00 8.25 -0.40 -5.05 115.22 112.27 3ia7 n HIS 296 Ca -0.02 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.07 3ia7 n HIS 296 Cb 0.16 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.24 3ia7 n HIS 296 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ia7 s ALA 297 N -2.05 3.00 -0.16 -1.41 0.00 -0.69 -4.32 121.76 116.12 3ia7 s ALA 297 Ca 0.04 0.80 0.22 0.00 0.00 0.00 0.00 51.96 53.03 3ia7 s ALA 297 Cb 0.09 -3.32 -0.13 0.00 0.00 0.00 0.00 23.12 19.75 3ia7 s ALA 297 CO 0.46 -0.45 0.82 0.54 0.00 0.00 0.00 175.76 177.13 3ia7 n ARG 298 N -0.41 0.63 -3.61 0.00 5.12 0.27 -4.86 116.66 113.80 3ia7 n ARG 298 Ca 0.07 0.02 -0.09 0.00 -1.93 0.00 0.00 57.85 55.92 3ia7 n ARG 298 Cb 0.49 -1.72 -0.02 0.00 -1.16 0.00 0.00 32.46 30.06 3ia7 n ARG 298 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3ia7 s ALA 299 N -3.37 -1.52 -0.04 7.54 0.00 -1.23 -4.39 121.76 118.75 3ia7 s ALA 299 Ca -0.03 0.28 0.02 0.00 0.00 0.00 0.00 51.96 52.22 3ia7 s ALA 299 Cb 0.11 0.77 0.01 0.00 0.00 0.00 0.00 23.12 24.02 3ia7 s ALA 299 CO 0.83 -0.87 -0.06 0.00 0.00 0.00 0.00 175.76 175.66 3ia7 s LEU 301 N 0.62 3.55 0.17 0.00 2.96 0.84 -0.53 118.68 126.28 3ia7 s LEU 301 Ca -0.09 -0.46 -0.10 0.00 -0.22 0.00 0.00 54.13 53.26 3ia7 s LEU 301 Cb -0.12 -1.88 -0.00 0.00 0.50 0.00 0.00 46.19 44.69 3ia7 s LEU 301 CO 0.01 -0.10 0.32 0.28 -1.32 0.00 0.00 176.35 175.53 3ia7 s THR 302 N 1.55 0.06 0.27 3.68 -1.32 -0.27 -1.24 115.64 118.37 3ia7 s THR 302 Ca 0.05 -1.28 0.12 0.00 -1.21 0.00 0.00 61.69 59.37 3ia7 s THR 302 Cb -0.16 -1.78 0.02 0.00 -1.51 0.00 0.00 72.50 69.08 3ia7 s THR 302 CO 0.02 -0.28 1.67 1.12 -2.21 0.00 0.00 174.62 174.94 3ia7 h HIS 303 N 2.49 0.00 0.00 9.09 2.07 -1.76 0.40 115.15 127.44 3ia7 h HIS 303 Ca -0.31 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.21 3ia7 h HIS 303 Cb 1.23 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.21 3ia7 h HIS 303 CO 0.39 0.53 0.00 0.41 -3.07 0.00 0.00 177.93 176.19 3ia7 n GLY 304 N 0.11 0.97 3.75 6.13 0.00 -1.26 -3.57 105.19 111.31 3ia7 n GLY 304 Ca -0.01 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 3ia7 n GLY 304 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ia7 s THR 305 N -2.00 2.09 0.28 2.61 -4.23 -1.26 -3.47 115.64 109.67 3ia7 s THR 305 Ca 0.00 0.07 0.02 0.00 -1.18 0.00 0.00 61.69 60.60 3ia7 s THR 305 Cb 0.00 -3.03 0.27 0.00 1.34 0.00 0.00 72.50 71.08 3ia7 s THR 305 CO 0.00 -0.00 1.76 0.71 -0.54 0.00 0.00 174.62 176.55 3ia7 h THR 306 N 1.29 0.69 0.06 3.99 1.35 -1.91 -1.18 112.91 117.20 3ia7 h THR 306 Ca -0.51 -0.23 0.03 0.00 -0.55 0.00 0.00 66.41 65.15 3ia7 h THR 306 Cb 1.31 -0.03 -0.04 0.00 -1.73 0.00 0.00 68.15 67.66 3ia7 h THR 306 CO 0.56 0.12 -0.28 1.23 -0.25 0.00 0.00 175.52 176.91 3ia7 h GLY 307 N 0.66 -0.47 1.21 5.82 0.00 -1.90 -2.10 103.07 106.28 3ia7 h GLY 307 Ca 0.52 0.33 -0.09 0.00 0.00 0.00 0.00 47.33 48.09 3ia7 h GLY 307 CO -0.39 -0.22 -0.02 0.00 0.00 0.00 0.00 176.54 175.91 3ia7 h ALA 308 N 0.31 0.93 0.21 3.60 0.00 -1.69 -2.37 119.26 120.25 3ia7 h ALA 308 Ca 0.05 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3ia7 h ALA 308 Cb 0.51 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3ia7 h ALA 308 CO -0.20 0.64 -0.10 0.28 0.00 0.00 0.00 179.25 179.86 3ia7 h VAL 309 N 0.87 0.80 -0.09 0.00 2.07 -1.16 -2.46 116.25 116.29 3ia7 h VAL 309 Ca 0.16 -0.02 -0.09 0.00 0.82 0.00 0.00 66.70 67.56 3ia7 h VAL 309 Cb 0.54 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 3ia7 h VAL 309 CO 0.03 0.00 -0.37 -0.07 0.02 0.00 0.00 177.57 177.18 3ia7 h LEU 310 N -0.29 0.19 -0.10 2.57 3.38 -1.34 -0.10 115.31 119.63 3ia7 h LEU 310 Ca -0.03 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.88 3ia7 h LEU 310 Cb 0.22 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3ia7 h LEU 310 CO 0.05 0.56 0.01 -0.08 0.09 0.00 0.00 178.44 179.06 3ia7 h GLU 311 N 0.16 0.04 -0.11 1.13 4.57 -1.35 0.16 114.58 119.18 3ia7 h GLU 311 Ca 0.02 -0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.21 3ia7 h GLU 311 Cb 0.74 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.30 3ia7 h GLU 311 CO 0.06 0.03 -0.00 0.00 -1.18 0.00 0.00 179.01 177.91 3ia7 h ALA 312 N 1.08 0.09 -0.21 2.92 0.00 -0.98 -2.95 119.26 119.21 3ia7 h ALA 312 Ca 0.04 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3ia7 h ALA 312 Cb 0.05 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3ia7 h ALA 312 CO -0.07 -0.46 -0.24 0.74 0.00 0.00 0.00 179.25 179.22 3ia7 h PHE 313 N 0.04 0.42 -0.84 0.00 0.04 -0.88 -1.43 116.94 114.30 3ia7 h PHE 313 Ca 0.05 -0.08 0.22 0.00 2.80 0.00 0.00 57.97 60.96 3ia7 h PHE 313 Cb 0.06 -0.11 -0.05 0.00 2.20 0.00 0.00 35.95 38.06 3ia7 h PHE 313 CO -0.14 0.60 0.58 0.00 -0.60 0.00 0.00 178.31 178.75 3ia7 h ALA 314 N 1.41 2.50 -0.36 2.45 0.00 -0.51 0.17 119.26 124.92 3ia7 h ALA 314 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ia7 h ALA 314 Cb 0.61 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3ia7 h ALA 314 CO 0.04 -0.76 0.00 0.00 0.00 0.00 0.00 179.25 178.54 3ia7 n ALA 315 N -2.61 2.44 -2.90 0.00 0.00 -0.63 -4.93 120.51 111.87 3ia7 n ALA 315 Ca 0.17 -0.90 -0.18 0.00 0.00 0.00 0.00 53.44 52.54 3ia7 n ALA 315 Cb 0.78 -0.93 0.03 0.00 0.00 0.00 0.00 19.45 19.33 3ia7 n ALA 315 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ia7 n GLY 316 N 1.42 -0.26 3.54 0.00 0.00 0.61 -4.87 105.19 105.63 3ia7 n GLY 316 Ca 0.19 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 3ia7 n GLY 316 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ia7 s VAL 317 N -3.06 4.63 0.62 1.61 1.01 -0.66 -4.76 120.40 119.80 3ia7 s VAL 317 Ca 0.26 -0.07 -0.15 0.00 0.00 0.00 0.00 61.98 62.02 3ia7 s VAL 317 Cb -0.11 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 3ia7 s VAL 317 CO 0.32 0.37 1.06 -2.16 0.00 0.00 0.00 175.10 174.69 3ia7 s PRO 318 N 1.17 3.16 0.02 2.72 0.04 -1.26 -4.15 135.00 136.70 3ia7 s PRO 318 Ca 0.05 1.18 0.06 0.00 0.04 0.00 0.00 61.00 62.32 3ia7 s PRO 318 Cb -0.14 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 3ia7 s PRO 318 CO 0.04 -0.94 -0.14 -0.51 0.04 0.00 0.00 177.00 175.49 3ia7 s LEU 319 N -4.78 2.83 -0.18 -3.56 1.02 -1.18 -1.69 118.68 111.14 3ia7 s LEU 319 Ca 0.63 -0.31 -0.04 0.00 0.02 0.00 0.00 54.13 54.43 3ia7 s LEU 319 Cb -0.16 -1.64 -0.02 0.00 0.02 0.00 0.00 46.19 44.39 3ia7 s LEU 319 CO 0.41 0.27 -0.04 -0.69 0.02 0.00 0.00 176.35 176.32 3ia7 s VAL 320 N -0.95 3.64 -0.12 -1.59 1.01 0.31 -1.62 120.40 121.08 3ia7 s VAL 320 Ca 0.16 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 61.65 3ia7 s VAL 320 Cb -0.11 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 3ia7 s VAL 320 CO 0.06 0.46 0.10 -0.76 0.00 0.00 0.00 175.10 174.96 3ia7 s LEU 321 N 0.83 4.12 -0.58 3.92 1.43 0.42 -1.11 118.68 127.70 3ia7 s LEU 321 Ca -0.01 0.35 0.06 0.00 -1.03 0.00 0.00 54.13 53.49 3ia7 s LEU 321 Cb -0.15 -1.99 0.22 0.00 0.03 0.00 0.00 46.19 44.30 3ia7 s LEU 321 CO 0.02 0.38 0.59 1.33 0.23 0.00 0.00 176.35 178.90 3ia7 n VAL 322 N 2.16 1.13 0.30 -1.59 0.24 0.13 -0.38 118.33 120.32 3ia7 n VAL 322 Ca -0.19 -4.67 0.19 0.00 -2.04 0.00 0.00 64.34 57.62 3ia7 n VAL 322 Cb 0.54 -2.04 0.86 0.00 -1.47 0.00 0.00 33.84 31.74 3ia7 n VAL 322 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 3ia7 h PRO 323 N 4.61 0.00 0.00 7.34 0.11 -1.80 -2.93 132.00 139.33 3ia7 h PRO 323 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3ia7 h PRO 323 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 3ia7 h PRO 323 CO 0.68 0.02 0.00 -2.39 -0.21 0.00 0.00 178.00 176.09 3ia7 n HIS 324 N -3.15 0.81 0.17 0.65 1.44 -1.26 -2.03 115.22 111.84 3ia7 n HIS 324 Ca -0.01 0.38 0.05 0.00 -2.01 0.00 0.00 57.72 56.13 3ia7 n HIS 324 Cb 0.22 -1.10 0.18 0.00 0.12 0.00 0.00 29.99 29.41 3ia7 n HIS 324 CO 0.00 0.00 0.00 0.74 -2.81 0.00 0.00 176.34 174.27 3ia7 h PHE 325 N 0.00 0.00 -3.46 -1.40 0.04 -1.85 -3.41 116.94 106.86 3ia7 h PHE 325 Ca 0.00 0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.20 3ia7 h PHE 325 Cb 0.15 0.00 -0.39 0.00 2.20 0.00 0.00 35.95 37.92 3ia7 h PHE 325 CO 0.00 0.40 -0.78 0.00 -0.60 0.00 0.00 178.31 177.33 3ia7 s ALA 326 N -3.23 1.58 0.43 2.45 0.00 -0.86 -5.00 121.76 117.13 3ia7 s ALA 326 Ca 0.03 -1.04 0.14 0.00 0.00 0.00 0.00 51.96 51.08 3ia7 s ALA 326 Cb 0.09 -1.28 1.01 0.00 0.00 0.00 0.00 23.12 22.93 3ia7 s ALA 326 CO 0.71 -1.08 1.96 1.79 0.00 0.00 0.00 175.76 179.14 3ia7 h THR 327 N 6.55 0.87 0.00 0.00 1.35 -1.81 -1.30 112.91 118.57 3ia7 h THR 327 Ca -0.19 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 3ia7 h THR 327 Cb 1.09 0.40 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 3ia7 h THR 327 CO 0.39 0.08 0.00 -0.33 -0.25 0.00 0.00 175.52 175.41 3ia7 h GLU 328 N 0.44 0.00 0.00 4.72 5.08 -1.95 -3.23 114.58 119.64 3ia7 h GLU 328 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 3ia7 h GLU 328 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3ia7 h GLU 328 CO -0.09 0.00 -0.18 0.00 -1.00 0.00 0.00 179.01 177.74 3ia7 n ALA 329 N -1.90 2.67 0.14 3.43 0.00 -0.49 -4.47 120.51 119.89 3ia7 n ALA 329 Ca -0.00 -0.16 -0.13 0.00 0.00 0.00 0.00 53.44 53.14 3ia7 n ALA 329 Cb 0.15 -1.36 -0.07 0.00 0.00 0.00 0.00 19.45 18.17 3ia7 n ALA 329 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ia7 h ALA 330 N 2.89 -0.31 -0.16 0.00 0.00 -1.72 0.17 119.26 120.13 3ia7 h ALA 330 Ca 0.00 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.89 3ia7 h ALA 330 Cb 0.55 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 3ia7 h ALA 330 CO 0.00 -0.69 -0.07 -1.35 0.00 0.00 0.00 179.25 177.14 3ia7 h PRO 331 N -0.34 -0.05 -0.23 0.00 0.11 -1.89 0.24 132.00 129.84 3ia7 h PRO 331 Ca -0.01 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 3ia7 h PRO 331 Cb 0.30 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 3ia7 h PRO 331 CO -0.01 -0.03 0.08 0.66 -0.21 0.00 0.00 178.00 178.49 3ia7 h SER 332 N -0.05 0.34 -0.47 -2.05 4.64 -1.78 -1.54 113.55 112.64 3ia7 h SER 332 Ca 0.09 -0.20 0.07 0.00 -0.47 0.00 0.00 61.79 61.28 3ia7 h SER 332 Cb 0.18 -0.09 -0.06 0.00 -0.31 0.00 0.00 62.40 62.12 3ia7 h SER 332 CO -0.19 0.44 0.15 0.00 -0.87 0.00 0.00 176.83 176.35 3ia7 h ALA 333 N 0.91 0.55 -0.60 5.18 0.00 -0.49 -0.84 119.26 123.97 3ia7 h ALA 333 Ca 0.08 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3ia7 h ALA 333 Cb 0.22 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3ia7 h ALA 333 CO -0.00 -0.25 0.17 0.93 0.00 0.00 0.00 179.25 180.10 3ia7 h GLU 334 N 0.31 0.92 -0.51 0.00 4.39 -0.37 -2.21 114.58 117.10 3ia7 h GLU 334 Ca 0.23 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 3ia7 h GLU 334 Cb 0.25 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 3ia7 h GLU 334 CO -0.25 0.80 0.26 -0.09 -1.16 0.00 0.00 179.01 178.57 3ia7 h ARG 335 N 0.89 0.72 -0.46 2.33 9.65 -0.60 0.86 114.38 127.77 3ia7 h ARG 335 Ca 0.20 -0.09 0.05 0.00 -1.10 0.00 0.00 59.98 59.04 3ia7 h ARG 335 Cb 0.28 -0.14 -0.05 0.00 -1.39 0.00 0.00 29.97 28.67 3ia7 h ARG 335 CO -0.01 0.58 0.18 0.28 2.80 0.00 0.00 179.97 183.81 3ia7 h VAL 336 N 0.68 0.89 -0.32 0.20 2.07 -0.87 -0.52 116.25 118.38 3ia7 h VAL 336 Ca 0.18 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.52 3ia7 h VAL 336 Cb 0.08 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 3ia7 h VAL 336 CO -0.03 0.07 0.02 0.40 0.02 0.00 0.00 177.57 178.05 3ia7 h ILE 337 N 0.37 1.25 -0.98 4.57 1.08 -1.16 -0.88 117.51 121.76 3ia7 h ILE 337 Ca 0.21 -0.91 0.11 0.00 -0.39 0.00 0.00 64.86 63.88 3ia7 h ILE 337 Cb 0.19 1.22 -0.08 0.00 -3.07 0.00 0.00 36.82 35.08 3ia7 h ILE 337 CO -0.20 0.30 0.63 -0.08 -0.69 0.00 0.00 178.15 178.11 3ia7 h GLU 338 N 0.36 0.97 -0.00 2.37 4.81 -0.44 -1.43 114.58 121.22 3ia7 h GLU 338 Ca 0.09 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3ia7 h GLU 338 Cb 0.41 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.57 3ia7 h GLU 338 CO 0.01 0.64 -0.16 1.28 -0.73 0.00 0.00 179.01 180.06 3ia7 n LEU 339 N -4.58 0.64 -1.85 1.64 4.77 -0.24 -4.95 117.00 112.44 3ia7 n LEU 339 Ca 0.18 -0.07 -0.13 0.00 -0.03 0.00 0.00 56.01 55.96 3ia7 n LEU 339 Cb 0.32 -0.17 0.02 0.00 -2.33 0.00 0.00 43.42 41.26 3ia7 n LEU 339 CO 0.29 0.12 0.02 0.61 -1.33 0.00 0.00 177.39 177.10 3ia7 n GLY 340 N 1.31 0.02 0.83 -0.72 0.00 -0.54 -4.91 105.19 101.17 3ia7 n GLY 340 Ca 0.13 -0.26 0.10 0.00 0.00 0.00 0.00 46.02 46.00 3ia7 n GLY 340 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ia7 n LEU 341 N -2.45 2.74 -3.62 0.99 4.77 -0.40 -4.51 117.00 114.52 3ia7 n LEU 341 Ca -0.06 -1.05 -0.00 0.00 -0.03 0.00 0.00 56.01 54.87 3ia7 n LEU 341 Cb 0.56 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.62 3ia7 n LEU 341 CO 0.28 0.49 1.04 -0.83 -1.33 0.00 0.00 177.39 177.03 3ia7 s GLY 342 N -1.65 -0.38 0.47 -0.72 0.00 -1.24 -3.10 107.32 100.70 3ia7 s GLY 342 Ca 0.25 0.93 0.07 0.00 0.00 0.00 0.00 44.72 45.97 3ia7 s GLY 342 CO 0.25 0.23 0.34 -1.35 0.00 0.00 0.00 173.10 172.58 3ia7 s SER 343 N -2.76 4.73 -0.02 1.64 1.04 -0.64 -4.42 113.70 113.27 3ia7 s SER 343 Ca 0.13 -1.02 0.03 0.00 0.48 0.00 0.00 55.95 55.57 3ia7 s SER 343 Cb 0.03 -0.16 -0.00 0.00 0.10 0.00 0.00 66.02 65.99 3ia7 s SER 343 CO -0.04 -0.81 -0.11 0.54 0.98 0.00 0.00 173.24 173.80 3ia7 s VAL 344 N -2.62 0.94 -0.10 5.02 0.11 -1.26 -0.43 120.40 122.06 3ia7 s VAL 344 Ca 0.41 -0.48 -0.02 0.00 -2.93 0.00 0.00 61.98 58.96 3ia7 s VAL 344 Cb -0.01 -0.81 -0.03 0.00 -1.53 0.00 0.00 36.38 34.00 3ia7 s VAL 344 CO 0.24 0.28 0.00 -0.76 -3.33 0.00 0.00 175.10 171.53 3ia7 s LEU 345 N -0.06 3.57 0.53 2.54 1.43 0.48 -4.90 118.68 122.28 3ia7 s LEU 345 Ca 0.01 0.12 -0.04 0.00 -1.03 0.00 0.00 54.13 53.19 3ia7 s LEU 345 Cb -0.07 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.33 3ia7 s LEU 345 CO 0.00 0.35 0.81 -0.13 0.23 0.00 0.00 176.35 177.61 3ia7 s ARG 346 N -0.69 3.00 0.32 1.70 1.81 -1.26 -4.55 118.95 119.29 3ia7 s ARG 346 Ca 0.11 -0.18 0.11 0.00 -1.72 0.00 0.00 55.73 54.05 3ia7 s ARG 346 Cb -0.12 -2.38 0.94 0.00 -0.45 0.00 0.00 34.95 32.94 3ia7 s ARG 346 CO 0.02 -0.52 1.70 -1.35 -0.68 0.00 0.00 175.30 174.47 3ia7 h PRO 347 N 0.05 0.44 0.00 3.54 0.11 -2.00 0.16 132.00 134.30 3ia7 h PRO 347 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3ia7 h PRO 347 Cb 1.25 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3ia7 h PRO 347 CO 0.59 0.29 0.00 -0.40 -0.21 0.00 0.00 178.00 178.27 3ia7 n ASP 348 N -4.98 0.00 -1.28 -2.05 5.68 -1.26 -3.72 116.55 108.94 3ia7 n ASP 348 Ca 0.28 -0.75 -0.04 0.00 -0.50 0.00 0.00 54.79 53.79 3ia7 n ASP 348 Cb 0.83 -0.04 0.22 0.00 -1.14 0.00 0.00 41.12 40.98 3ia7 n ASP 348 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ia7 n GLN 349 N -1.04 2.25 -0.36 0.11 6.02 0.54 -4.66 117.38 120.24 3ia7 n GLN 349 Ca 0.19 -3.08 0.08 0.00 -0.01 0.00 0.00 57.00 54.18 3ia7 n GLN 349 Cb 0.11 -1.89 0.23 0.00 1.02 0.00 0.00 30.24 29.71 3ia7 n GLN 349 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3ia7 n LEU 350 N -0.93 3.60 -4.75 1.08 4.77 -1.24 -4.28 117.00 115.24 3ia7 n LEU 350 Ca 0.34 -2.64 -0.38 0.00 -0.03 0.00 0.00 56.01 53.30 3ia7 n LEU 350 Cb 1.10 -0.44 0.03 0.00 -2.33 0.00 0.00 43.42 41.78 3ia7 n LEU 350 CO 0.25 0.70 0.92 -1.61 -1.33 0.00 0.00 177.39 176.31 3ia7 s GLU 351 N -2.16 3.24 0.29 3.23 0.41 -1.26 -4.79 118.70 117.66 3ia7 s GLU 351 Ca 0.36 2.05 0.04 0.00 -0.41 0.00 0.00 54.97 57.00 3ia7 s GLU 351 Cb 0.26 -2.22 0.73 0.00 -1.78 0.00 0.00 34.13 31.12 3ia7 s GLU 351 CO 0.12 -1.05 1.69 -1.35 -0.49 0.00 0.00 175.26 174.18 3ia7 h PRO 352 N 1.47 0.38 -0.42 0.39 0.11 -1.94 -0.72 132.00 131.27 3ia7 h PRO 352 Ca -0.50 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.48 3ia7 h PRO 352 Cb 1.29 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 3ia7 h PRO 352 CO 0.57 0.25 -0.16 0.00 -0.21 0.00 0.00 178.00 178.45 3ia7 h ALA 353 N 1.71 0.93 -0.75 -0.75 0.00 -1.90 -1.48 119.26 117.01 3ia7 h ALA 353 Ca 0.56 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3ia7 h ALA 353 Cb 1.07 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 3ia7 h ALA 353 CO -0.54 0.62 0.42 1.03 0.00 0.00 0.00 179.25 180.79 3ia7 h SER 354 N 0.70 0.93 0.01 0.00 0.87 -1.47 -1.63 113.55 112.96 3ia7 h SER 354 Ca 0.11 -0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.58 3ia7 h SER 354 Cb 0.66 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 3ia7 h SER 354 CO 0.05 0.75 -0.01 0.40 -0.53 0.00 0.00 176.83 177.49 3ia7 h ILE 355 N 1.04 1.14 -0.19 2.23 2.04 -0.88 -1.64 117.51 121.24 3ia7 h ILE 355 Ca 0.27 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.68 3ia7 h ILE 355 Cb 0.02 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 3ia7 h ILE 355 CO -0.04 0.12 0.12 -0.09 0.00 0.00 0.00 178.15 178.25 3ia7 h ARG 356 N -0.21 0.24 -0.64 2.37 2.43 -1.23 -1.71 114.38 115.62 3ia7 h ARG 356 Ca -0.00 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 3ia7 h ARG 356 Cb 0.21 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 3ia7 h ARG 356 CO 0.00 0.16 0.23 0.93 -1.51 0.00 0.00 179.97 179.78 3ia7 h GLU 357 N 0.25 0.98 -0.58 0.20 5.08 -1.30 0.14 114.58 119.35 3ia7 h GLU 357 Ca 0.07 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 3ia7 h GLU 357 Cb -0.02 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 3ia7 h GLU 357 CO -0.03 0.84 0.38 0.00 -1.00 0.00 0.00 179.01 179.20 3ia7 h ALA 358 N 1.09 0.73 -0.44 3.43 0.00 -1.14 -0.60 119.26 122.33 3ia7 h ALA 358 Ca 0.21 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 3ia7 h ALA 358 Cb 0.25 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3ia7 h ALA 358 CO -0.01 0.17 -0.27 0.28 0.00 0.00 0.00 179.25 179.42 3ia7 h VAL 359 N 0.78 1.27 -0.48 0.00 2.07 -1.05 -1.92 116.25 116.93 3ia7 h VAL 359 Ca 0.21 -1.44 -0.08 0.00 0.82 0.00 0.00 66.70 66.21 3ia7 h VAL 359 Cb -0.09 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 3ia7 h VAL 359 CO -0.05 0.49 -0.02 -0.33 0.02 0.00 0.00 177.57 177.68 3ia7 h GLU 360 N 0.80 0.86 -0.27 1.57 5.08 -0.68 0.21 114.58 122.15 3ia7 h GLU 360 Ca 0.09 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 3ia7 h GLU 360 Cb 0.86 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 3ia7 h GLU 360 CO 0.08 0.91 0.14 -0.09 -1.00 0.00 0.00 179.01 179.05 3ia7 h ARG 361 N 0.71 0.37 -0.27 2.33 2.43 -1.08 -1.28 114.38 117.60 3ia7 h ARG 361 Ca 0.13 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 3ia7 h ARG 361 Cb 0.54 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 3ia7 h ARG 361 CO 0.03 0.34 0.10 1.25 -1.51 0.00 0.00 179.97 180.17 3ia7 h LEU 362 N 0.31 0.39 -1.52 3.80 5.85 -1.14 -2.40 115.31 120.59 3ia7 h LEU 362 Ca 0.09 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 3ia7 h LEU 362 Cb 0.07 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 3ia7 h LEU 362 CO -0.01 0.47 -0.25 0.00 -0.34 0.00 0.00 178.44 178.31 3ia7 h ALA 363 N 0.93 1.39 -0.00 1.25 0.00 -0.80 -1.79 119.26 120.23 3ia7 h ALA 363 Ca 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3ia7 h ALA 363 Cb 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3ia7 h ALA 363 CO -0.00 0.31 -0.24 0.00 0.00 0.00 0.00 179.25 179.31 3ia7 n ALA 364 N -2.40 3.01 -2.52 0.00 0.00 -0.50 -4.86 120.51 113.24 3ia7 n ALA 364 Ca -0.02 -0.31 -0.42 0.00 0.00 0.00 0.00 53.44 52.70 3ia7 n ALA 364 Cb 0.33 -1.24 -0.02 0.00 0.00 0.00 0.00 19.45 18.51 3ia7 n ALA 364 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ia7 s ASP 365 N -2.69 6.37 0.30 0.00 -1.08 -0.68 -4.89 116.67 114.01 3ia7 s ASP 365 Ca 0.21 0.19 0.02 0.00 -0.52 0.00 0.00 52.55 52.45 3ia7 s ASP 365 Cb 0.19 -2.55 0.49 0.00 -1.46 0.00 0.00 42.92 39.59 3ia7 s ASP 365 CO 0.56 -1.53 1.83 0.77 0.52 0.00 0.00 175.17 177.31 3ia7 h SER 366 N 9.97 0.60 -0.35 -0.34 4.64 -1.89 -2.00 113.55 124.18 3ia7 h SER 366 Ca -0.25 -0.13 -0.05 0.00 -0.47 0.00 0.00 61.79 60.89 3ia7 h SER 366 Cb 1.07 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.99 3ia7 h SER 366 CO 1.18 0.67 0.02 0.00 -0.87 0.00 0.00 176.83 177.83 3ia7 h ALA 367 N 1.40 0.47 0.05 5.18 0.00 -1.97 -0.45 119.26 123.94 3ia7 h ALA 367 Ca 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3ia7 h ALA 367 Cb 0.38 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3ia7 h ALA 367 CO 0.01 0.22 -0.05 0.28 0.00 0.00 0.00 179.25 179.71 3ia7 h VAL 368 N 0.43 0.88 -0.92 0.00 2.07 -1.75 -1.84 116.25 115.12 3ia7 h VAL 368 Ca 0.10 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 3ia7 h VAL 368 Cb 0.43 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 3ia7 h VAL 368 CO 0.01 0.00 0.53 -0.09 0.02 0.00 0.00 177.57 178.05 3ia7 h ARG 369 N -0.12 1.26 -0.57 1.57 2.43 -1.13 0.22 114.38 118.04 3ia7 h ARG 369 Ca 0.00 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.03 3ia7 h ARG 369 Cb 0.12 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 3ia7 h ARG 369 CO -0.02 0.90 0.29 1.49 -1.51 0.00 0.00 179.97 181.12 3ia7 h GLU 370 N 1.27 0.81 -0.67 0.20 4.57 -1.03 0.24 114.58 119.97 3ia7 h GLU 370 Ca 0.33 -0.11 -0.06 0.00 -1.18 0.00 0.00 59.36 58.33 3ia7 h GLU 370 Cb -0.02 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.39 3ia7 h GLU 370 CO -0.06 0.65 0.17 0.00 -1.18 0.00 0.00 179.01 178.60 3ia7 h ARG 371 N 0.77 1.06 -0.61 1.92 3.08 -0.67 -1.83 114.38 118.09 3ia7 h ARG 371 Ca 0.20 -0.24 -0.09 0.00 0.07 0.00 0.00 59.98 59.92 3ia7 h ARG 371 Cb 0.09 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3ia7 h ARG 371 CO -0.03 0.93 0.01 0.28 -1.07 0.00 0.00 179.97 180.09 3ia7 h VAL 372 N 1.01 1.26 -0.62 2.04 2.07 -0.37 -2.85 116.25 118.79 3ia7 h VAL 372 Ca 0.21 -1.14 -0.05 0.00 0.82 0.00 0.00 66.70 66.55 3ia7 h VAL 372 Cb 0.34 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 3ia7 h VAL 372 CO -0.00 0.42 0.18 0.03 0.02 0.00 0.00 177.57 178.22 3ia7 h ARG 373 N 0.98 0.95 -1.23 1.57 3.08 -0.66 0.18 114.38 119.25 3ia7 h ARG 373 Ca 0.18 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3ia7 h ARG 373 Cb 0.54 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3ia7 h ARG 373 CO 0.03 0.82 0.00 0.54 -1.07 0.00 0.00 179.97 180.29 3ia7 n ARG 374 N -4.27 0.15 0.00 0.04 5.12 -0.72 -1.98 116.66 115.00 3ia7 n ARG 374 Ca 0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 3ia7 n ARG 374 Cb 0.22 -1.30 0.00 0.00 -1.16 0.00 0.00 32.46 30.22 3ia7 n ARG 374 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 3ia7 n GLN 376 N 0.74 0.00 -0.22 5.56 7.27 0.64 -1.67 117.38 129.70 3ia7 n GLN 376 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 57.00 56.99 3ia7 n GLN 376 Cb 0.06 0.00 0.03 0.00 2.41 0.00 0.00 30.24 32.74 3ia7 n GLN 376 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3ia7 h ARG 377 N 0.00 0.95 -0.31 3.69 2.47 -1.66 -0.25 114.38 119.28 3ia7 h ARG 377 Ca 0.00 -0.21 -0.06 0.00 -1.26 0.00 0.00 59.98 58.45 3ia7 h ARG 377 Cb 0.00 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.17 3ia7 h ARG 377 CO 0.00 0.86 -0.06 0.22 0.56 0.00 0.00 179.97 181.55 3ia7 h ASP 378 N 0.87 0.47 -0.16 7.04 3.58 -1.61 -0.48 116.42 126.13 3ia7 h ASP 378 Ca 0.19 -0.10 -0.05 0.00 0.42 0.00 0.00 57.03 57.49 3ia7 h ASP 378 Cb 0.31 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 41.24 3ia7 h ASP 378 CO -0.00 0.58 -0.10 0.40 -2.88 0.00 0.00 179.24 177.23 3ia7 h ILE 379 N 0.47 1.32 -0.47 2.25 2.04 -1.80 -2.75 117.51 118.58 3ia7 h ILE 379 Ca 0.09 -1.19 -0.02 0.00 1.00 0.00 0.00 64.86 64.75 3ia7 h ILE 379 Cb 0.40 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.22 3ia7 h ILE 379 CO 0.02 0.35 0.22 0.25 0.00 0.00 0.00 178.15 178.99 3ia7 h LEU 380 N 0.01 0.58 -0.88 1.44 5.85 -0.73 -2.22 115.31 119.36 3ia7 h LEU 380 Ca 0.03 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3ia7 h LEU 380 Cb 0.60 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.48 3ia7 h LEU 380 CO 0.03 0.50 0.00 -1.54 -0.34 0.00 0.00 178.44 177.09 3ia7 n SER 381 N -4.39 1.33 0.15 1.25 3.41 -0.22 -4.35 113.62 110.81 3ia7 n SER 381 Ca 0.04 -1.64 0.02 0.00 -0.26 0.00 0.00 58.87 57.03 3ia7 n SER 381 Cb 0.12 -0.08 0.20 0.00 -0.26 0.00 0.00 64.21 64.19 3ia7 n SER 381 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3ia7 h SER 382 N 1.79 0.00 0.00 4.04 0.02 -1.08 -3.48 113.55 114.84 3ia7 h SER 382 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3ia7 h SER 382 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 3ia7 h SER 382 CO 0.00 0.52 0.00 0.61 -1.14 0.00 0.00 176.83 176.82 3ia7 n GLY 383 N 0.53 2.23 7.00 -3.77 0.00 -1.23 -4.29 105.19 105.66 3ia7 n GLY 383 Ca -0.00 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.42 3ia7 n GLY 383 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ia7 n GLY 384 N 0.00 -1.18 0.29 -0.02 0.00 0.03 -3.04 105.19 101.27 3ia7 n GLY 384 Ca 0.00 -1.22 0.08 0.00 0.00 0.00 0.00 46.02 44.88 3ia7 n GLY 384 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ia7 h PRO 385 N 0.00 0.23 -0.76 1.61 0.11 -1.88 -0.71 132.00 130.60 3ia7 h PRO 385 Ca 0.00 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.04 3ia7 h PRO 385 Cb 0.00 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.03 3ia7 h PRO 385 CO 0.00 0.15 0.25 0.00 -0.21 0.00 0.00 178.00 178.19 3ia7 h ALA 386 N 1.86 0.99 -0.33 -0.75 0.00 -1.92 -0.42 119.26 118.69 3ia7 h ALA 386 Ca 0.10 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 3ia7 h ALA 386 Cb 0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3ia7 h ALA 386 CO -0.02 0.66 -0.32 -0.09 0.00 0.00 0.00 179.25 179.49 3ia7 h ARG 387 N 1.12 0.80 -0.80 0.00 2.43 -1.34 -1.67 114.38 114.91 3ia7 h ARG 387 Ca 0.25 -0.42 0.03 0.00 -0.81 0.00 0.00 59.98 59.03 3ia7 h ARG 387 Cb 0.29 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.80 3ia7 h ARG 387 CO -0.01 1.05 0.51 0.00 -1.51 0.00 0.00 179.97 180.01 3ia7 h ALA 388 N 0.73 1.05 -0.61 2.80 0.00 -0.82 -0.66 119.26 121.75 3ia7 h ALA 388 Ca 0.05 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3ia7 h ALA 388 Cb 0.90 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3ia7 h ALA 388 CO 0.08 0.34 -0.00 0.00 0.00 0.00 0.00 179.25 179.67 3ia7 h ALA 389 N 1.33 0.82 -0.75 0.00 0.00 -1.04 -1.06 119.26 118.56 3ia7 h ALA 389 Ca 0.32 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3ia7 h ALA 389 Cb -0.01 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 3ia7 h ALA 389 CO -0.11 0.67 0.47 -0.44 0.00 0.00 0.00 179.25 179.85 3ia7 h ASP 390 N 0.98 0.78 -0.30 0.00 3.32 -0.81 0.68 116.42 121.07 3ia7 h ASP 390 Ca 0.17 -0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.10 3ia7 h ASP 390 Cb 0.57 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 3ia7 h ASP 390 CO 0.03 0.54 -0.28 -0.33 -1.72 0.00 0.00 179.24 177.48 3ia7 h GLU 391 N 0.92 0.73 -0.23 3.56 4.39 -0.82 0.67 114.58 123.80 3ia7 h GLU 391 Ca 0.30 -0.38 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 3ia7 h GLU 391 Cb 0.01 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 3ia7 h GLU 391 CO -0.11 0.99 0.04 0.28 -1.16 0.00 0.00 179.01 179.06 3ia7 h VAL 392 N 0.48 1.22 -0.82 3.13 2.07 -0.98 -1.06 116.25 120.30 3ia7 h VAL 392 Ca 0.05 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 3ia7 h VAL 392 Cb 0.85 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 3ia7 h VAL 392 CO 0.07 0.23 0.39 -0.33 0.02 0.00 0.00 177.57 177.95 3ia7 h GLU 393 N 0.18 1.17 -0.73 1.57 5.08 -0.68 -1.53 114.58 119.64 3ia7 h GLU 393 Ca 0.07 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 3ia7 h GLU 393 Cb 0.31 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 3ia7 h GLU 393 CO 0.00 0.90 0.29 0.00 -1.00 0.00 0.00 179.01 179.20 3ia7 h ALA 394 N 1.26 0.95 -0.31 3.43 0.00 -0.77 -1.43 119.26 122.40 3ia7 h ALA 394 Ca 0.28 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3ia7 h ALA 394 Cb 0.12 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3ia7 h ALA 394 CO -0.04 0.58 0.18 -0.92 0.00 0.00 0.00 179.25 179.05 3ia7 h TYR 395 N 1.06 0.43 -0.65 0.00 3.20 -0.92 -1.54 116.97 118.55 3ia7 h TYR 395 Ca 0.24 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.15 3ia7 h TYR 395 Cb 0.22 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.31 3ia7 h TYR 395 CO 0.02 0.34 0.37 -0.07 -1.64 0.00 0.00 178.16 177.18 3ia7 h LEU 396 N 0.39 0.57 -0.97 2.82 3.38 -1.12 0.56 115.31 120.93 3ia7 h LEU 396 Ca 0.11 0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.24 3ia7 h LEU 396 Cb 0.05 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 40.61 3ia7 h LEU 396 CO -0.02 0.38 0.59 1.23 0.09 0.00 0.00 178.44 180.72 3ia7 h GLY 397 N 0.70 1.63 0.24 0.83 0.00 -0.80 0.16 103.07 105.83 3ia7 h GLY 397 Ca 0.28 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 3ia7 h GLY 397 CO -0.15 0.08 -0.07 3.21 0.00 0.00 0.00 176.54 179.61 3ia7 h ARG 398 N 0.89 0.04 0.00 4.80 3.08 -0.25 -3.36 114.38 119.58 3ia7 h ARG 398 Ca 0.51 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.50 3ia7 h ARG 398 Cb 0.59 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.66 3ia7 h ARG 398 CO -0.30 0.86 -1.63 1.33 -1.07 0.00 0.00 179.97 179.16 3ia7 n VAL 399 N -4.64 0.00 -2.81 2.04 0.24 0.08 -4.70 118.33 108.55 3ia7 n VAL 399 Ca -0.10 -0.34 -0.10 0.00 -2.04 0.00 0.00 64.34 61.76 3ia7 n VAL 399 Cb 0.43 0.30 0.04 0.00 -1.47 0.00 0.00 33.84 33.14 3ia7 n VAL 399 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ia7 n ALA 400 N -1.98 -0.86 1.33 2.33 0.00 0.48 -4.96 120.51 116.84 3ia7 n ALA 400 Ca -0.02 -1.67 0.11 0.00 0.00 0.00 0.00 53.44 51.86 3ia7 n ALA 400 Cb 0.45 -1.26 0.63 0.00 0.00 0.00 0.00 19.45 19.27 3ia7 n ALA 400 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15