#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ia7 s GLN 3 N 0.00 4.36 -0.08 5.56 -0.21 -1.26 -4.90 119.66 123.13 3ia7 s GLN 3 Ca 0.00 0.59 0.00 0.00 0.02 0.00 0.00 55.36 55.97 3ia7 s GLN 3 Cb 0.00 -3.45 -0.03 0.00 1.00 0.00 0.00 33.01 30.53 3ia7 s GLN 3 CO 0.00 0.10 -0.07 1.03 -2.12 0.00 0.00 175.29 174.23 3ia7 s ARG 4 N 0.76 2.90 -0.34 2.91 1.81 -1.26 -4.96 118.95 120.77 3ia7 s ARG 4 Ca 0.30 -0.56 -0.23 0.00 -1.72 0.00 0.00 55.73 53.52 3ia7 s ARG 4 Cb -0.16 -2.63 0.00 0.00 -0.45 0.00 0.00 34.95 31.72 3ia7 s ARG 4 CO 0.13 0.58 0.76 -1.58 -0.68 0.00 0.00 175.30 174.51 3ia7 s HIS 5 N -0.57 3.15 -0.19 -0.53 5.65 -1.26 -1.50 115.29 120.04 3ia7 s HIS 5 Ca 0.09 0.62 -0.00 0.00 0.25 0.00 0.00 55.06 56.01 3ia7 s HIS 5 Cb -0.12 -3.29 0.01 0.00 -1.18 0.00 0.00 32.58 28.00 3ia7 s HIS 5 CO 0.02 -0.65 -0.15 0.42 -0.65 0.00 0.00 174.74 173.72 3ia7 s ILE 6 N 2.99 2.45 -0.25 0.89 1.01 0.13 -0.33 121.20 128.08 3ia7 s ILE 6 Ca 0.31 -0.82 -0.12 0.00 0.00 0.00 0.00 60.65 60.02 3ia7 s ILE 6 Cb -0.14 -2.06 -0.05 0.00 0.01 0.00 0.00 42.46 40.22 3ia7 s ILE 6 CO 0.15 0.50 0.24 -0.22 0.00 0.00 0.00 174.94 175.61 3ia7 s LEU 7 N 1.34 4.08 -0.25 2.97 2.96 -0.10 -1.70 118.68 127.98 3ia7 s LEU 7 Ca 0.05 0.16 -0.20 0.00 -0.22 0.00 0.00 54.13 53.92 3ia7 s LEU 7 Cb -0.13 -2.23 -0.02 0.00 0.50 0.00 0.00 46.19 44.31 3ia7 s LEU 7 CO -0.10 -0.04 0.62 -0.36 -1.32 0.00 0.00 176.35 175.15 3ia7 s PHE 8 N 1.51 3.29 -0.28 5.38 0.08 0.27 0.65 117.98 128.88 3ia7 s PHE 8 Ca 0.10 0.81 -0.08 0.00 0.12 0.00 0.00 56.93 57.88 3ia7 s PHE 8 Cb -0.15 -2.82 -0.01 0.00 -0.57 0.00 0.00 43.02 39.46 3ia7 s PHE 8 CO 0.08 -0.30 0.10 0.00 -0.10 0.00 0.00 175.22 175.00 3ia7 s ALA 9 N 2.42 3.19 -0.02 5.36 0.00 0.12 -0.79 121.76 132.03 3ia7 s ALA 9 Ca 0.26 -1.28 -0.09 0.00 0.00 0.00 0.00 51.96 50.85 3ia7 s ALA 9 Cb -0.16 -2.21 0.01 0.00 0.00 0.00 0.00 23.12 20.77 3ia7 s ALA 9 CO 0.09 -0.72 0.20 1.21 0.00 0.00 0.00 175.76 176.53 3ia7 s ASN 10 N 1.60 -0.09 0.51 0.00 3.84 -1.24 -1.62 114.94 117.94 3ia7 s ASN 10 Ca 0.05 0.04 -0.11 0.00 0.21 0.00 0.00 52.86 53.05 3ia7 s ASN 10 Cb -0.16 0.30 -0.05 0.00 -0.55 0.00 0.00 41.25 40.78 3ia7 s ASN 10 CO 0.04 -0.30 0.90 0.54 -2.79 0.00 0.00 177.10 175.49 3ia7 s VAL 11 N -0.95 4.73 0.86 -5.21 0.11 -1.26 -4.49 120.40 114.19 3ia7 s VAL 11 Ca -0.10 0.75 -0.11 0.00 -2.93 0.00 0.00 61.98 59.59 3ia7 s VAL 11 Cb -0.05 -3.80 0.11 0.00 -1.53 0.00 0.00 36.38 31.10 3ia7 s VAL 11 CO 0.02 -0.82 1.09 0.00 -3.33 0.00 0.00 175.10 172.06 3ia7 s GLN 12 N -4.48 1.57 0.00 1.54 -2.07 -1.26 -4.52 119.66 110.44 3ia7 s GLN 12 Ca 0.53 0.76 0.00 0.00 -1.82 0.00 0.00 55.36 54.84 3ia7 s GLN 12 Cb -0.10 -1.85 0.00 0.00 -1.09 0.00 0.00 33.01 29.97 3ia7 s GLN 12 CO 0.41 -2.01 0.00 0.41 -1.32 0.00 0.00 175.29 172.78 3ia7 n GLY 13 N -1.48 3.71 0.08 2.60 0.00 -1.26 -4.80 105.19 104.04 3ia7 n GLY 13 Ca 0.07 -1.45 -0.10 0.00 0.00 0.00 0.00 46.02 44.54 3ia7 n GLY 13 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3ia7 h HIS 14 N 0.00 -0.05 -0.04 1.61 3.86 -1.99 -1.08 115.15 117.47 3ia7 h HIS 14 Ca 0.00 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.23 3ia7 h HIS 14 Cb 0.00 0.04 -0.00 0.00 1.06 0.00 0.00 27.41 28.51 3ia7 h HIS 14 CO 0.00 -0.04 0.07 0.78 0.86 0.00 0.00 177.93 179.60 3ia7 h GLY 15 N 0.01 0.00 0.07 2.45 0.00 -1.99 -0.95 103.07 102.67 3ia7 h GLY 15 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 47.01 3ia7 h GLY 15 CO -0.12 0.00 -2.40 1.42 0.00 0.00 0.00 176.54 175.45 3ia7 n HIS 16 N -3.54 0.12 -0.01 5.60 -0.00 -0.98 -4.58 115.22 111.83 3ia7 n HIS 16 Ca -0.02 0.03 -0.12 0.00 -0.00 0.00 0.00 57.72 57.61 3ia7 n HIS 16 Cb 0.15 -1.02 -0.10 0.00 -0.00 0.00 0.00 29.99 29.03 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 0.00 1.31 -0.04 1.59 2.07 -1.00 -3.38 116.25 116.80 3ia7 h VAL 17 Ca -0.55 -1.54 0.03 0.00 0.82 0.00 0.00 66.70 65.46 3ia7 h VAL 17 Cb 2.01 2.27 -0.04 0.00 -1.52 0.00 0.00 31.29 34.01 3ia7 h VAL 17 CO -0.04 0.37 -0.22 0.22 0.02 0.00 0.00 177.57 177.92 3ia7 h TYR 18 N -0.79 -0.58 -0.14 1.57 3.20 -1.40 -0.62 116.97 118.21 3ia7 h TYR 18 Ca -0.01 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.93 3ia7 h TYR 18 Cb 0.65 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.18 3ia7 h TYR 18 CO 0.15 -0.30 0.23 -1.35 -1.64 0.00 0.00 178.16 175.25 3ia7 h PRO 19 N -0.33 0.00 0.00 1.82 0.11 -1.80 -2.03 132.00 129.77 3ia7 h PRO 19 Ca 0.07 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.03 3ia7 h PRO 19 Cb 0.43 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.51 3ia7 h PRO 19 CO -0.23 0.00 -0.90 0.66 -0.21 0.00 0.00 178.00 177.32 3ia7 h SER 20 N 0.00 0.00 0.43 -2.05 4.64 -1.29 -3.38 113.55 111.89 3ia7 h SER 20 Ca 0.06 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.31 3ia7 h SER 20 Cb 0.52 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 3ia7 h SER 20 CO -0.00 0.65 -0.35 -0.07 -0.87 0.00 0.00 176.83 176.19 3ia7 h LEU 21 N 0.00 0.00 -0.89 5.97 3.38 -1.15 -1.60 115.31 121.02 3ia7 h LEU 21 Ca -0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3ia7 h LEU 21 Cb 1.55 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.26 3ia7 h LEU 21 CO 0.07 0.35 0.36 1.23 0.09 0.00 0.00 178.44 180.55 3ia7 h GLY 22 N 1.21 1.25 0.88 0.83 0.00 -1.75 -0.47 103.07 105.02 3ia7 h GLY 22 Ca -0.00 -0.63 -0.08 0.00 0.00 0.00 0.00 47.33 46.61 3ia7 h GLY 22 CO 0.05 0.60 -0.15 -2.00 0.00 0.00 0.00 176.54 175.04 3ia7 h LEU 23 N 1.15 0.58 -0.25 3.11 5.85 -1.60 -1.30 115.31 122.85 3ia7 h LEU 23 Ca 0.27 -0.42 0.01 0.00 0.84 0.00 0.00 57.88 58.58 3ia7 h LEU 23 Cb 0.15 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3ia7 h LEU 23 CO -0.03 0.87 0.13 0.58 -0.34 0.00 0.00 178.44 179.65 3ia7 h VAL 24 N 0.28 1.01 -0.56 1.05 2.07 -0.99 0.02 116.25 119.13 3ia7 h VAL 24 Ca 0.05 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 3ia7 h VAL 24 Cb 0.67 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 3ia7 h VAL 24 CO 0.04 0.05 0.28 0.28 0.02 0.00 0.00 177.57 178.24 3ia7 h SER 25 N 0.28 0.73 0.10 0.57 0.02 -1.04 -1.05 113.55 113.16 3ia7 h SER 25 Ca 0.10 -0.12 -0.09 0.00 -0.84 0.00 0.00 61.79 60.84 3ia7 h SER 25 Cb 0.01 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 3ia7 h SER 25 CO -0.06 0.64 -0.30 -0.08 -1.14 0.00 0.00 176.83 175.89 3ia7 h GLU 26 N 0.75 0.31 -0.06 3.45 4.57 -0.85 0.18 114.58 122.93 3ia7 h GLU 26 Ca 0.19 -0.12 -0.20 0.00 -1.18 0.00 0.00 59.36 58.06 3ia7 h GLU 26 Cb 0.11 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.68 3ia7 h GLU 26 CO -0.03 0.59 -0.79 -0.07 -1.18 0.00 0.00 179.01 177.54 3ia7 h LEU 27 N 0.27 0.53 -0.81 1.64 3.38 -0.75 -2.36 115.31 117.22 3ia7 h LEU 27 Ca 0.04 -0.36 -0.12 0.00 0.09 0.00 0.00 57.88 57.53 3ia7 h LEU 27 Cb 0.67 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3ia7 h LEU 27 CO 0.05 1.12 -0.36 0.00 0.09 0.00 0.00 178.44 179.34 3ia7 h ALA 28 N 0.86 0.98 -0.85 1.53 0.00 -0.82 -2.08 119.26 118.88 3ia7 h ALA 28 Ca -0.04 -0.41 0.09 0.00 0.00 0.00 0.00 54.91 54.55 3ia7 h ALA 28 Cb 1.38 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 3ia7 h ALA 28 CO 0.14 0.61 0.55 -0.09 0.00 0.00 0.00 179.25 180.46 3ia7 h ARG 29 N 0.39 0.83 -0.11 0.00 2.43 -0.50 -2.06 114.38 115.36 3ia7 h ARG 29 Ca 0.04 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3ia7 h ARG 29 Cb 0.81 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 3ia7 h ARG 29 CO 0.07 0.55 0.00 0.54 -1.51 0.00 0.00 179.97 179.62 3ia7 n ARG 30 N -4.51 1.37 -0.27 0.20 1.74 -0.90 -4.89 116.66 109.41 3ia7 n ARG 30 Ca 0.14 -0.57 0.00 0.00 -0.77 0.00 0.00 57.85 56.65 3ia7 n ARG 30 Cb 0.28 -1.28 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 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 0.90 0.74 3.82 -0.13 0.00 -0.77 -4.99 105.19 104.76 3ia7 n GLY 31 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.30 3.61 -0.42 1.61 3.76 -0.82 -4.65 115.29 116.07 3ia7 s HIS 32 Ca 0.00 1.34 -0.26 0.00 -0.15 0.00 0.00 55.06 56.00 3ia7 s HIS 32 Cb 0.00 -2.59 0.02 0.00 1.11 0.00 0.00 32.58 31.12 3ia7 s HIS 32 CO 0.00 0.31 0.92 0.50 -0.85 0.00 0.00 174.74 175.62 3ia7 s ARG 33 N -2.12 3.68 -0.22 1.40 3.52 -0.56 -4.25 118.95 120.39 3ia7 s ARG 33 Ca 0.44 0.35 -0.08 0.00 -0.13 0.00 0.00 55.73 56.31 3ia7 s ARG 33 Cb -0.16 -3.87 -0.04 0.00 -1.56 0.00 0.00 34.95 29.33 3ia7 s ARG 33 CO 0.20 -1.09 0.08 0.42 -0.81 0.00 0.00 175.30 174.10 3ia7 s ILE 34 N 3.62 4.63 -0.05 4.11 -1.09 -1.26 0.19 121.20 131.35 3ia7 s ILE 34 Ca 0.37 -0.08 0.01 0.00 -2.23 0.00 0.00 60.65 58.73 3ia7 s ILE 34 Cb -0.11 -3.13 -0.03 0.00 -1.58 0.00 0.00 42.46 37.61 3ia7 s ILE 34 CO 0.23 0.38 -0.06 -0.89 -1.23 0.00 0.00 174.94 173.37 3ia7 s THR 35 N 1.08 3.76 -0.04 2.92 2.01 -0.69 -0.56 115.64 124.12 3ia7 s THR 35 Ca 0.05 -0.54 -0.01 0.00 0.31 0.00 0.00 61.69 61.49 3ia7 s THR 35 Cb -0.14 -2.57 0.03 0.00 0.01 0.00 0.00 72.50 69.83 3ia7 s THR 35 CO 0.03 0.54 0.07 -0.47 -0.69 0.00 0.00 174.62 174.10 3ia7 s TYR 36 N -0.88 -0.01 -0.19 4.92 5.04 0.87 -0.57 117.35 126.53 3ia7 s TYR 36 Ca 0.14 0.26 -0.15 0.00 -2.44 0.00 0.00 57.07 54.88 3ia7 s TYR 36 Cb -0.11 -0.28 -0.04 0.00 0.35 0.00 0.00 41.96 41.88 3ia7 s TYR 36 CO 0.03 -0.14 0.36 0.08 -1.34 0.00 0.00 175.55 174.54 3ia7 s VAL 37 N 1.48 5.23 0.27 3.14 1.01 0.03 -1.27 120.40 130.29 3ia7 s VAL 37 Ca -0.04 0.65 -0.11 0.00 0.00 0.00 0.00 61.98 62.47 3ia7 s VAL 37 Cb -0.12 -3.70 0.04 0.00 0.00 0.00 0.00 36.38 32.60 3ia7 s VAL 37 CO -0.04 0.29 0.59 1.07 0.00 0.00 0.00 175.10 177.01 3ia7 n THR 38 N 4.18 0.00 -3.68 3.92 5.66 -0.73 -3.59 114.28 120.03 3ia7 n THR 38 Ca -0.09 -0.69 -0.20 0.00 -3.05 0.00 0.00 64.05 60.02 3ia7 n THR 38 Cb 0.51 0.71 -0.02 0.00 -1.55 0.00 0.00 70.33 69.98 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 -2.33 4.15 0.52 1.09 -4.23 -1.26 -1.03 115.64 112.54 3ia7 s THR 39 Ca 0.12 -1.12 0.28 0.00 -1.18 0.00 0.00 61.69 59.79 3ia7 s THR 39 Cb -0.03 -3.42 0.45 0.00 1.34 0.00 0.00 72.50 70.83 3ia7 s THR 39 CO 0.08 -0.20 1.91 -0.65 -0.54 0.00 0.00 174.62 175.22 3ia7 h PRO 40 N 1.07 0.06 -0.75 3.99 0.11 -1.97 -0.88 132.00 133.63 3ia7 h PRO 40 Ca -0.47 -0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.77 3ia7 h PRO 40 Cb 1.25 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.30 3ia7 h PRO 40 CO 0.56 0.04 0.50 1.25 -0.21 0.00 0.00 178.00 180.14 3ia7 h LEU 41 N 0.06 0.47 -0.96 2.35 5.85 -1.98 -2.91 115.31 118.20 3ia7 h LEU 41 Ca 0.39 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.13 3ia7 h LEU 41 Cb 1.47 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.42 3ia7 h LEU 41 CO -0.03 0.26 -0.09 0.49 -0.34 0.00 0.00 178.44 178.73 3ia7 n PHE 42 N -4.49 0.00 -0.18 1.25 3.72 -0.59 -4.72 117.46 112.45 3ia7 n PHE 42 Ca 0.14 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.51 3ia7 n PHE 42 Cb 0.45 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 39.03 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 1.43 0.30 -0.55 4.37 0.00 -0.99 -0.64 119.26 123.18 3ia7 h ALA 43 Ca 0.00 0.21 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 3ia7 h ALA 43 Cb 0.29 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3ia7 h ALA 43 CO 0.00 -0.47 -0.05 -0.44 0.00 0.00 0.00 179.25 178.29 3ia7 h ASP 44 N -0.03 1.00 -0.81 0.00 3.32 -1.85 -1.78 116.42 116.26 3ia7 h ASP 44 Ca 0.26 -0.33 -0.04 0.00 0.02 0.00 0.00 57.03 56.95 3ia7 h ASP 44 Cb 0.43 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 3ia7 h ASP 44 CO -0.58 1.08 0.36 -0.33 -1.72 0.00 0.00 179.24 178.06 3ia7 h GLU 45 N 0.88 1.19 -0.23 3.56 3.07 -1.80 -1.02 114.58 120.23 3ia7 h GLU 45 Ca 0.15 -0.19 -0.18 0.00 -0.50 0.00 0.00 59.36 58.64 3ia7 h GLU 45 Cb 0.60 -0.21 -0.00 0.00 -0.84 0.00 0.00 28.75 28.31 3ia7 h GLU 45 CO 0.04 0.94 -0.58 0.28 -1.40 0.00 0.00 179.01 178.29 3ia7 h VAL 46 N 1.17 1.30 -0.25 3.13 2.07 -0.83 -2.50 116.25 120.33 3ia7 h VAL 46 Ca 0.28 -1.80 -0.02 0.00 0.82 0.00 0.00 66.70 65.98 3ia7 h VAL 46 Cb 0.16 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 3ia7 h VAL 46 CO -0.03 0.57 0.08 0.11 0.02 0.00 0.00 177.57 178.32 3ia7 h LYS 47 N 0.55 0.39 -0.54 1.57 1.57 -1.25 -2.60 116.57 116.26 3ia7 h LYS 47 Ca 0.00 -0.09 0.13 0.00 -1.87 0.00 0.00 60.65 58.83 3ia7 h LYS 47 Cb 1.16 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.39 3ia7 h LYS 47 CO 0.12 0.47 0.38 0.00 -0.57 0.00 0.00 179.45 179.85 3ia7 h ALA 48 N 0.90 2.33 0.00 3.86 0.00 -1.11 -0.08 119.26 125.17 3ia7 h ALA 48 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ia7 h ALA 48 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3ia7 h ALA 48 CO -0.00 -0.48 0.00 0.00 0.00 0.00 0.00 179.25 178.77 3ia7 n ALA 49 N -2.60 2.25 0.00 0.00 0.00 -0.95 -4.87 120.51 114.34 3ia7 n ALA 49 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3ia7 n ALA 49 Cb 0.52 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 0.93 1.01 3.85 0.00 0.00 -0.04 -3.69 105.19 107.25 3ia7 n GLY 50 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 3.77 0.16 4.61 0.00 -1.03 -4.72 121.76 122.55 3ia7 s ALA 51 Ca 0.00 -0.99 -0.26 0.00 0.00 0.00 0.00 51.96 50.71 3ia7 s ALA 51 Cb 0.00 -1.60 -0.08 0.00 0.00 0.00 0.00 23.12 21.44 3ia7 s ALA 51 CO 0.00 0.71 0.79 -1.21 0.00 0.00 0.00 175.76 176.05 3ia7 s GLU 52 N -2.65 4.59 -0.13 0.00 2.02 0.27 -3.84 118.70 118.95 3ia7 s GLU 52 Ca 0.32 1.18 -0.05 0.00 0.02 0.00 0.00 54.97 56.44 3ia7 s GLU 52 Cb -0.12 -3.28 -0.04 0.00 0.10 0.00 0.00 34.13 30.80 3ia7 s GLU 52 CO 0.25 0.53 0.04 0.08 0.02 0.00 0.00 175.26 176.18 3ia7 s VAL 53 N -0.99 4.61 -0.25 2.63 1.01 -1.26 -0.09 120.40 126.06 3ia7 s VAL 53 Ca 0.37 -0.12 -0.05 0.00 0.00 0.00 0.00 61.98 62.18 3ia7 s VAL 53 Cb -0.23 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.13 3ia7 s VAL 53 CO 0.26 0.54 0.02 -0.69 0.00 0.00 0.00 175.10 175.23 3ia7 s VAL 54 N -0.30 3.75 0.14 2.92 1.01 -0.40 -4.91 120.40 122.61 3ia7 s VAL 54 Ca 0.08 -0.47 -0.28 0.00 0.00 0.00 0.00 61.98 61.30 3ia7 s VAL 54 Cb -0.12 -2.78 -0.07 0.00 0.00 0.00 0.00 36.38 33.41 3ia7 s VAL 54 CO 0.02 0.31 0.90 -0.76 0.00 0.00 0.00 175.10 175.57 3ia7 s LEU 55 N 1.52 4.54 0.23 3.92 1.43 -1.26 -1.77 118.68 127.29 3ia7 s LEU 55 Ca 0.05 1.75 0.09 0.00 -1.03 0.00 0.00 54.13 54.99 3ia7 s LEU 55 Cb -0.15 -3.49 -0.05 0.00 0.03 0.00 0.00 46.19 42.53 3ia7 s LEU 55 CO -0.00 0.04 -0.17 -0.72 0.23 0.00 0.00 176.35 175.73 3ia7 s TYR 56 N -0.46 1.94 -0.25 0.29 -0.85 -0.20 -4.90 117.35 112.91 3ia7 s TYR 56 Ca 0.42 -0.47 -0.10 0.00 -0.52 0.00 0.00 57.07 56.40 3ia7 s TYR 56 Cb -0.23 -0.88 -0.05 0.00 0.38 0.00 0.00 41.96 41.18 3ia7 s TYR 56 CO 0.29 0.49 0.15 0.21 -1.52 0.00 0.00 175.55 175.17 3ia7 s LYS 57 N -3.53 3.96 0.26 -3.49 2.20 -1.26 -4.35 119.74 113.53 3ia7 s LYS 57 Ca 0.25 -0.33 -0.25 0.00 -0.36 0.00 0.00 55.97 55.28 3ia7 s LYS 57 Cb -0.03 -3.52 -0.09 0.00 -1.51 0.00 0.00 37.83 32.68 3ia7 s LYS 57 CO 0.10 -0.04 0.87 0.45 -0.36 0.00 0.00 175.35 176.36 3ia7 s SER 58 N 1.32 7.33 0.54 1.43 0.15 -1.26 -4.89 113.70 118.32 3ia7 s SER 58 Ca 0.07 1.73 0.34 0.00 0.70 0.00 0.00 55.95 58.78 3ia7 s SER 58 Cb -0.15 -2.53 1.42 0.00 -1.71 0.00 0.00 66.02 63.05 3ia7 s SER 58 CO 0.06 0.03 1.99 -0.33 1.20 0.00 0.00 173.24 176.20 3ia7 h GLU 59 N 3.54 0.00 -0.00 5.44 4.39 -1.92 -3.11 114.58 122.92 3ia7 h GLU 59 Ca -0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.23 3ia7 h GLU 59 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 3ia7 h GLU 59 CO 0.66 0.00 -0.04 1.19 -1.16 0.00 0.00 179.01 179.66 3ia7 n PHE 60 N -3.02 0.00 0.59 4.33 3.72 -1.26 -5.12 117.46 116.70 3ia7 n PHE 60 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3ia7 n PHE 60 Cb 0.28 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 38.70 3ia7 n PHE 60 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3ia7 n ASP 61 N -0.92 0.01 0.00 4.37 10.43 -1.18 -5.28 116.55 123.98 3ia7 n ASP 61 Ca 0.18 -0.60 0.00 0.00 2.57 0.00 0.00 54.79 56.94 3ia7 n ASP 61 Cb 0.22 -0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.18 3ia7 n ASP 61 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 3ia7 n ASP 73 N -0.47 0.00 -0.26 -2.24 2.03 -1.26 -5.17 116.55 109.19 3ia7 n ASP 73 Ca 0.00 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.38 3ia7 n ASP 73 Cb 0.00 0.00 0.32 0.00 -0.72 0.00 0.00 41.12 40.72 3ia7 n ASP 73 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ia7 h ALA 74 N 0.00 1.68 0.03 -1.67 0.00 -2.05 -1.58 119.26 115.67 3ia7 h ALA 74 Ca 0.00 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 3ia7 h ALA 74 Cb 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3ia7 h ALA 74 CO 0.00 0.15 -1.00 1.05 0.00 0.00 0.00 179.25 179.46 3ia7 h GLU 75 N 0.83 0.26 -0.77 0.00 4.11 -2.05 -1.11 114.58 115.86 3ia7 h GLU 75 Ca 0.39 -0.32 -0.05 0.00 0.07 0.00 0.00 59.36 59.45 3ia7 h GLU 75 Cb 0.40 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 3ia7 h GLU 75 CO -0.16 1.06 0.28 1.15 0.07 0.00 0.00 179.01 181.42 3ia7 h THR 76 N 0.12 1.26 -0.61 -1.06 2.02 -1.88 0.40 112.91 113.17 3ia7 h THR 76 Ca -0.07 -0.85 -0.06 0.00 0.77 0.00 0.00 66.41 66.19 3ia7 h THR 76 Cb 1.66 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 68.42 3ia7 h THR 76 CO 0.16 0.34 0.13 1.56 0.37 0.00 0.00 175.52 178.09 3ia7 h GLN 77 N 1.12 0.96 -0.44 6.66 1.08 -1.27 0.58 115.11 123.80 3ia7 h GLN 77 Ca 0.25 -0.22 -0.06 0.00 -1.45 0.00 0.00 58.65 57.17 3ia7 h GLN 77 Cb 0.25 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.53 3ia7 h GLN 77 CO -0.02 0.86 0.03 -0.07 -0.95 0.00 0.00 178.83 178.69 3ia7 h LEU 78 N 0.91 0.73 -0.45 1.46 3.38 -0.71 -2.28 115.31 118.35 3ia7 h LEU 78 Ca 0.19 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3ia7 h LEU 78 Cb 0.35 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3ia7 h LEU 78 CO 0.00 0.84 0.29 0.45 0.09 0.00 0.00 178.44 180.11 3ia7 h HIS 79 N 0.60 0.57 -0.18 1.13 3.86 0.09 -2.69 115.15 118.54 3ia7 h HIS 79 Ca 0.13 0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.27 3ia7 h HIS 79 Cb 0.44 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 28.72 3ia7 h HIS 79 CO 0.03 0.38 -0.20 -0.07 0.86 0.00 0.00 177.93 178.93 3ia7 h LEU 80 N 0.61 0.49 -1.50 2.43 3.38 0.26 -2.28 115.31 118.70 3ia7 h LEU 80 Ca 0.16 -0.49 0.05 0.00 0.09 0.00 0.00 57.88 57.69 3ia7 h LEU 80 Cb -0.05 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3ia7 h LEU 80 CO -0.03 0.88 0.39 1.62 0.09 0.00 0.00 178.44 181.39 3ia7 h VAL 81 N 0.11 1.04 -0.49 1.22 3.04 -1.49 0.19 116.25 119.87 3ia7 h VAL 81 Ca 0.03 -0.22 0.01 0.00 -1.01 0.00 0.00 66.70 65.51 3ia7 h VAL 81 Cb 0.76 0.35 -0.03 0.00 -2.01 0.00 0.00 31.29 30.36 3ia7 h VAL 81 CO 0.05 0.12 0.32 0.22 -1.01 0.00 0.00 177.57 177.26 3ia7 h TYR 82 N 0.63 0.60 0.23 3.17 3.20 -1.20 0.18 116.97 123.79 3ia7 h TYR 82 Ca 0.24 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.12 3ia7 h TYR 82 Cb 0.17 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.25 3ia7 h TYR 82 CO -0.00 0.36 -0.11 0.28 -1.64 0.00 0.00 178.16 177.05 3ia7 h VAL 83 N 0.64 0.82 -0.86 1.81 2.07 -0.64 -2.41 116.25 117.69 3ia7 h VAL 83 Ca 0.19 -0.33 0.16 0.00 0.82 0.00 0.00 66.70 67.54 3ia7 h VAL 83 Cb -0.04 1.01 -0.07 0.00 -1.52 0.00 0.00 31.29 30.67 3ia7 h VAL 83 CO -0.06 0.07 0.56 0.03 0.02 0.00 0.00 177.57 178.20 3ia7 h ARG 84 N -0.48 0.54 -0.43 1.57 3.08 -0.45 0.95 114.38 119.15 3ia7 h ARG 84 Ca -0.03 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.92 3ia7 h ARG 84 Cb 0.36 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 3ia7 h ARG 84 CO 0.05 0.36 0.02 1.49 -1.07 0.00 0.00 179.97 180.82 3ia7 h GLU 85 N 0.55 0.75 -0.35 0.04 4.57 -0.56 0.19 114.58 119.78 3ia7 h GLU 85 Ca 0.44 -0.23 0.02 0.00 -1.18 0.00 0.00 59.36 58.41 3ia7 h GLU 85 Cb 0.86 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.35 3ia7 h GLU 85 CO -0.18 0.81 0.19 -0.91 -1.18 0.00 0.00 179.01 177.74 3ia7 h ASN 86 N 0.60 0.30 -0.41 1.04 2.35 -0.86 -1.70 115.58 116.90 3ia7 h ASN 86 Ca 0.13 0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.92 3ia7 h ASN 86 Cb 0.46 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.75 3ia7 h ASN 86 CO 0.02 0.22 0.20 0.58 -1.65 0.00 0.00 177.43 176.80 3ia7 h VAL 87 N 0.39 0.97 -0.52 2.81 2.07 -0.63 0.82 116.25 122.17 3ia7 h VAL 87 Ca 0.14 -0.14 0.08 0.00 0.82 0.00 0.00 66.70 67.60 3ia7 h VAL 87 Cb 0.03 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 30.27 3ia7 h VAL 87 CO -0.08 0.07 0.17 0.00 0.02 0.00 0.00 177.57 177.75 3ia7 h ALA 88 N 1.22 0.63 -0.19 1.67 0.00 -0.43 0.17 119.26 122.33 3ia7 h ALA 88 Ca 0.17 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 3ia7 h ALA 88 Cb 0.09 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3ia7 h ALA 88 CO -0.13 -0.23 -0.28 0.82 0.00 0.00 0.00 179.25 179.43 3ia7 h ILE 89 N 0.34 1.34 -0.39 0.00 2.04 -1.15 -2.00 117.51 117.68 3ia7 h ILE 89 Ca 0.25 -1.50 0.08 0.00 1.00 0.00 0.00 64.86 64.70 3ia7 h ILE 89 Cb 0.29 1.86 -0.08 0.00 -0.74 0.00 0.00 36.82 38.15 3ia7 h ILE 89 CO -0.27 0.46 -0.16 0.25 0.00 0.00 0.00 178.15 178.42 3ia7 h LEU 90 N 0.18 -0.56 -0.53 1.44 5.85 -0.54 -1.47 115.31 119.68 3ia7 h LEU 90 Ca 0.02 0.14 -0.16 0.00 0.84 0.00 0.00 57.88 58.72 3ia7 h LEU 90 Cb 0.86 0.32 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 3ia7 h LEU 90 CO 0.07 -0.20 -0.65 0.03 -0.34 0.00 0.00 178.44 177.35 3ia7 h ARG 91 N -0.09 0.34 -0.22 1.25 2.47 -0.99 -2.12 114.38 115.02 3ia7 h ARG 91 Ca 0.19 -0.25 0.03 0.00 -1.26 0.00 0.00 59.98 58.70 3ia7 h ARG 91 Cb 0.38 0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.71 3ia7 h ARG 91 CO -0.45 0.88 0.01 0.00 0.56 0.00 0.00 179.97 180.97 3ia7 h ALA 92 N 1.06 0.20 -0.30 0.04 0.00 -1.01 -2.08 119.26 117.18 3ia7 h ALA 92 Ca -0.01 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3ia7 h ALA 92 Cb 1.19 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3ia7 h ALA 92 CO 0.11 -0.41 -0.06 0.00 0.00 0.00 0.00 179.25 178.89 3ia7 h ALA 93 N 1.18 0.41 0.52 0.00 0.00 -1.22 -2.20 119.26 117.95 3ia7 h ALA 93 Ca 0.10 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3ia7 h ALA 93 Cb 0.12 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.81 3ia7 h ALA 93 CO -0.16 0.22 -0.25 0.93 0.00 0.00 0.00 179.25 179.98 3ia7 h GLU 94 N 0.33 -0.67 -0.69 0.00 5.08 -1.38 0.22 114.58 117.47 3ia7 h GLU 94 Ca 0.08 0.05 0.11 0.00 -1.00 0.00 0.00 59.36 58.59 3ia7 h GLU 94 Cb 0.53 0.15 -0.08 0.00 0.50 0.00 0.00 28.75 29.86 3ia7 h GLU 94 CO 0.03 -0.44 0.29 0.93 -1.00 0.00 0.00 179.01 178.81 3ia7 h GLU 95 N -0.71 0.46 -0.13 2.33 5.08 -1.44 0.72 114.58 120.90 3ia7 h GLU 95 Ca -0.07 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 3ia7 h GLU 95 Cb 0.54 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 3ia7 h GLU 95 CO 0.12 0.31 -0.10 0.00 -1.00 0.00 0.00 179.01 178.34 3ia7 h ALA 96 N 1.47 0.18 0.01 3.43 0.00 -1.27 -3.33 119.26 119.75 3ia7 h ALA 96 Ca 0.36 -0.29 -0.25 0.00 0.00 0.00 0.00 54.91 54.73 3ia7 h ALA 96 Cb 0.47 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3ia7 h ALA 96 CO -0.33 0.01 -1.34 -0.07 0.00 0.00 0.00 179.25 177.52 3ia7 h LEU 97 N -0.08 0.02 0.00 0.00 -0.00 -0.79 -3.48 115.31 110.97 3ia7 h LEU 97 Ca 0.02 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 3ia7 h LEU 97 Cb 0.60 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.25 3ia7 h LEU 97 CO 0.03 1.02 0.00 0.61 -0.00 0.00 0.00 178.44 180.10 3ia7 n GLY 98 N 1.46 3.08 0.70 0.83 0.00 0.25 -0.99 105.19 110.52 3ia7 n GLY 98 Ca -0.08 0.27 0.04 0.00 0.00 0.00 0.00 46.02 46.25 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 5.72 1.96 -3.54 1.61 9.92 -1.26 -4.39 116.55 126.57 3ia7 n ASP 99 Ca 0.00 -2.13 -0.27 0.00 -0.53 0.00 0.00 54.79 51.86 3ia7 n ASP 99 Cb 0.00 -0.33 -0.10 0.00 -0.64 0.00 0.00 41.12 40.05 3ia7 n ASP 99 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3ia7 n ASN 100 N 0.28 1.66 -4.70 -2.24 3.02 -0.16 -5.13 115.26 107.99 3ia7 n ASN 100 Ca 0.10 -2.92 -0.38 0.00 -0.03 0.00 0.00 54.58 51.34 3ia7 n ASN 100 Cb 0.37 -0.66 0.05 0.00 -0.61 0.00 0.00 39.78 38.93 3ia7 n ASN 100 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3ia7 n PRO 101 N 1.91 1.30 -1.59 3.52 -0.04 -1.26 -4.83 135.00 134.02 3ia7 n PRO 101 Ca 0.25 0.49 -0.30 0.00 -0.04 0.00 0.00 63.50 63.91 3ia7 n PRO 101 Cb 0.43 -2.42 0.18 0.00 -0.04 0.00 0.00 33.50 31.65 3ia7 n PRO 101 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3ia7 s PRO 102 N -2.92 0.36 0.20 0.54 0.04 -1.26 -4.98 135.00 126.97 3ia7 s PRO 102 Ca 0.75 -0.09 0.11 0.00 0.04 0.00 0.00 61.00 61.81 3ia7 s PRO 102 Cb -0.42 -1.78 -0.05 0.00 0.04 0.00 0.00 34.50 32.29 3ia7 s PRO 102 CO 0.47 -2.66 1.37 -0.44 0.04 0.00 0.00 177.00 175.78 3ia7 h ASP 103 N -1.82 0.00 -3.80 6.66 3.32 -1.07 -3.47 116.42 116.24 3ia7 h ASP 103 Ca -0.46 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.43 3ia7 h ASP 103 Cb 1.28 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.58 3ia7 h ASP 103 CO 0.45 0.77 -0.38 -0.22 -1.72 0.00 0.00 179.24 178.15 3ia7 s LEU 104 N -6.66 0.83 -0.21 1.55 2.96 -1.13 -4.30 118.68 111.72 3ia7 s LEU 104 Ca 0.02 0.60 -0.06 0.00 -0.22 0.00 0.00 54.13 54.47 3ia7 s LEU 104 Cb 0.09 1.01 -0.03 0.00 0.50 0.00 0.00 46.19 47.76 3ia7 s LEU 104 CO 0.78 -0.11 0.02 -0.69 -1.32 0.00 0.00 176.35 175.04 3ia7 s VAL 105 N 0.24 4.12 -0.12 1.68 1.01 -0.95 -0.92 120.40 125.46 3ia7 s VAL 105 Ca -0.01 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.75 3ia7 s VAL 105 Cb -0.03 -2.87 0.01 0.00 0.00 0.00 0.00 36.38 33.49 3ia7 s VAL 105 CO -0.00 0.42 -0.23 -0.69 0.00 0.00 0.00 175.10 174.60 3ia7 s VAL 106 N 1.02 2.04 0.01 2.92 1.01 0.21 -0.32 120.40 127.29 3ia7 s VAL 106 Ca 0.02 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.04 3ia7 s VAL 106 Cb -0.14 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 3ia7 s VAL 106 CO 0.02 0.55 -0.06 -0.72 0.00 0.00 0.00 175.10 174.89 3ia7 s TYR 107 N 0.60 0.56 0.59 5.22 -0.85 -0.05 0.13 117.35 123.54 3ia7 s TYR 107 Ca -0.13 -0.24 -0.15 0.00 -0.52 0.00 0.00 57.07 56.04 3ia7 s TYR 107 Cb -0.17 -0.35 -0.04 0.00 0.38 0.00 0.00 41.96 41.79 3ia7 s TYR 107 CO 0.03 -0.03 1.04 0.34 -1.52 0.00 0.00 175.55 175.40 3ia7 s ASP 108 N -0.66 5.99 0.26 -0.18 2.15 -0.64 0.49 116.67 124.09 3ia7 s ASP 108 Ca -0.02 1.69 -0.02 0.00 0.43 0.00 0.00 52.55 54.62 3ia7 s ASP 108 Cb -0.05 -2.52 0.42 0.00 -0.30 0.00 0.00 42.92 40.48 3ia7 s ASP 108 CO 0.00 -1.03 1.87 0.58 -0.17 0.00 0.00 175.17 176.42 3ia7 h VAL 109 N 0.34 1.05 0.50 1.11 2.07 -1.40 -3.03 116.25 116.88 3ia7 h VAL 109 Ca -0.46 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 3ia7 h VAL 109 Cb 1.21 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3ia7 h VAL 109 CO 0.59 0.20 -0.43 0.15 0.02 0.00 0.00 177.57 178.10 3ia7 h PHE 110 N 1.11 -1.17 -0.13 1.57 -0.00 -1.93 -1.58 116.94 114.80 3ia7 h PHE 110 Ca 0.44 0.00 -0.13 0.00 -0.00 0.00 0.00 57.97 58.28 3ia7 h PHE 110 Cb 0.23 0.45 -0.05 0.00 -0.00 0.00 0.00 35.95 36.58 3ia7 h PHE 110 CO -0.01 -0.61 -0.03 -0.35 -0.00 0.00 0.00 178.31 177.32 3ia7 n PRO 111 N -5.53 1.48 0.26 6.41 -0.04 -1.15 -4.46 135.00 131.97 3ia7 n PRO 111 Ca -0.12 -0.64 0.13 0.00 -0.04 0.00 0.00 63.50 62.84 3ia7 n PRO 111 Cb 0.43 -1.44 0.71 0.00 -0.04 0.00 0.00 33.50 33.16 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 1.75 0.00 0.18 0.54 -5.15 -1.25 0.11 116.94 113.13 3ia7 h PHE 112 Ca 0.12 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.88 3ia7 h PHE 112 Cb 1.12 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.29 3ia7 h PHE 112 CO 0.82 0.12 -0.09 0.82 -2.00 0.00 0.00 178.31 177.99 3ia7 h ILE 113 N 0.00 0.93 -0.17 0.88 2.04 -1.85 -1.60 117.51 117.74 3ia7 h ILE 113 Ca -0.00 -0.88 0.05 0.00 1.00 0.00 0.00 64.86 65.03 3ia7 h ILE 113 Cb 0.40 1.43 -0.07 0.00 -0.74 0.00 0.00 36.82 37.84 3ia7 h ILE 113 CO 0.02 0.19 -0.30 0.00 0.00 0.00 0.00 178.15 178.06 3ia7 h ALA 114 N -0.02 -0.30 -0.05 1.87 0.00 -1.66 -1.56 119.26 117.53 3ia7 h ALA 114 Ca -0.02 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3ia7 h ALA 114 Cb 0.49 0.58 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 3ia7 h ALA 114 CO 0.04 -0.76 -0.14 0.78 0.00 0.00 0.00 179.25 179.17 3ia7 h GLY 115 N -0.35 -0.14 2.00 0.00 0.00 -0.75 0.18 103.07 104.01 3ia7 h GLY 115 Ca 0.11 0.17 -0.09 0.00 0.00 0.00 0.00 47.33 47.52 3ia7 h GLY 115 CO -0.37 -0.14 -0.45 3.21 0.00 0.00 0.00 176.54 178.79 3ia7 h ARG 116 N -0.22 0.00 0.07 4.80 3.08 -1.24 -2.00 114.38 118.88 3ia7 h ARG 116 Ca 0.06 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.86 3ia7 h ARG 116 Cb 0.30 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.36 3ia7 h ARG 116 CO -0.17 0.45 -1.11 -0.07 -1.07 0.00 0.00 179.97 178.00 3ia7 h LEU 117 N 0.00 0.54 -0.40 3.04 3.38 -0.84 0.27 115.31 121.31 3ia7 h LEU 117 Ca -0.00 -0.50 0.04 0.00 0.09 0.00 0.00 57.88 57.51 3ia7 h LEU 117 Cb 0.98 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 3ia7 h LEU 117 CO 0.06 1.33 0.16 -0.07 0.09 0.00 0.00 178.44 180.01 3ia7 h LEU 118 N 0.17 0.20 -0.75 1.67 3.38 -0.90 0.40 115.31 119.48 3ia7 h LEU 118 Ca -0.12 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 3ia7 h LEU 118 Cb 1.78 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.53 3ia7 h LEU 118 CO 0.19 0.15 -0.30 0.00 0.09 0.00 0.00 178.44 178.58 3ia7 h ALA 119 N 1.24 0.93 -0.55 1.53 0.00 -1.17 -0.77 119.26 120.47 3ia7 h ALA 119 Ca 0.18 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 3ia7 h ALA 119 Cb 0.13 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3ia7 h ALA 119 CO -0.16 0.62 -0.05 0.00 0.00 0.00 0.00 179.25 179.66 3ia7 h ALA 120 N 1.14 0.75 -0.01 0.00 0.00 -0.30 -1.36 119.26 119.48 3ia7 h ALA 120 Ca 0.07 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.50 3ia7 h ALA 120 Cb 0.78 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3ia7 h ALA 120 CO 0.06 0.62 -0.68 -0.09 0.00 0.00 0.00 179.25 179.15 3ia7 h ARG 121 N 0.89 0.06 -0.01 0.00 9.65 -0.67 -3.17 114.38 121.14 3ia7 h ARG 121 Ca 0.15 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.98 3ia7 h ARG 121 Cb 0.60 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.19 3ia7 h ARG 121 CO 0.04 0.72 -0.49 0.91 2.80 0.00 0.00 179.97 183.95 3ia7 n TRP 122 N -3.75 0.00 -3.63 2.20 8.01 -0.32 -4.99 117.44 114.96 3ia7 n TRP 122 Ca -0.02 0.00 -0.22 0.00 -1.31 0.00 0.00 57.50 55.95 3ia7 n TRP 122 Cb 0.67 -0.05 0.04 0.00 -2.01 0.00 0.00 31.31 29.96 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 -0.54 -2.67 -4.26 -0.99 2.03 -0.60 -5.02 116.55 104.49 3ia7 n ASP 123 Ca 0.09 -0.83 -0.23 0.00 0.52 0.00 0.00 54.79 54.34 3ia7 n ASP 123 Cb 0.40 -4.13 -0.12 0.00 -0.72 0.00 0.00 41.12 36.55 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 -5.74 1.07 0.70 -0.67 1.81 -0.67 -5.06 118.95 110.39 3ia7 s ARG 124 Ca 0.15 -1.13 -0.11 0.00 -1.72 0.00 0.00 55.73 52.91 3ia7 s ARG 124 Cb -0.04 -1.27 0.01 0.00 -0.45 0.00 0.00 34.95 33.20 3ia7 s ARG 124 CO 0.81 0.29 1.07 -1.25 -0.68 0.00 0.00 175.30 175.54 3ia7 s PRO 125 N -1.93 2.93 0.13 3.54 0.04 -1.26 -4.64 135.00 133.80 3ia7 s PRO 125 Ca 0.05 0.64 0.05 0.00 0.04 0.00 0.00 61.00 61.78 3ia7 s PRO 125 Cb -0.10 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 3ia7 s PRO 125 CO 0.04 -1.02 -0.12 0.00 0.04 0.00 0.00 177.00 175.94 3ia7 s ALA 126 N -3.23 1.39 -0.01 8.56 0.00 -1.26 -2.23 121.76 124.98 3ia7 s ALA 126 Ca 0.58 -1.34 0.06 0.00 0.00 0.00 0.00 51.96 51.26 3ia7 s ALA 126 Cb -0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 3ia7 s ALA 126 CO 0.53 -0.00 -0.19 0.08 0.00 0.00 0.00 175.76 176.18 3ia7 s VAL 127 N -2.62 1.50 -0.16 0.00 1.01 0.56 -4.17 120.40 116.53 3ia7 s VAL 127 Ca 0.11 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 3ia7 s VAL 127 Cb -0.02 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 3ia7 s VAL 127 CO 0.02 0.42 0.07 -0.60 0.00 0.00 0.00 175.10 175.00 3ia7 s ARG 128 N -0.44 3.73 -0.07 2.72 3.52 -0.69 -0.87 118.95 126.85 3ia7 s ARG 128 Ca 0.07 -0.32 0.00 0.00 -0.13 0.00 0.00 55.73 55.36 3ia7 s ARG 128 Cb -0.07 -3.14 -0.03 0.00 -1.56 0.00 0.00 34.95 30.14 3ia7 s ARG 128 CO -0.01 0.43 -0.05 -0.51 -0.81 0.00 0.00 175.30 174.35 3ia7 s LEU 129 N -0.08 3.26 -0.06 -0.88 1.43 0.18 -1.32 118.68 121.21 3ia7 s LEU 129 Ca 0.07 0.01 -0.03 0.00 -1.03 0.00 0.00 54.13 53.15 3ia7 s LEU 129 Cb -0.12 -1.73 0.04 0.00 0.03 0.00 0.00 46.19 44.41 3ia7 s LEU 129 CO 0.01 0.36 0.14 0.28 0.23 0.00 0.00 176.35 177.37 3ia7 s THR 130 N -0.84 -0.09 -2.12 5.49 -1.32 -0.89 -0.94 115.64 114.93 3ia7 s THR 130 Ca 0.13 0.22 0.16 0.00 -1.21 0.00 0.00 61.69 60.99 3ia7 s THR 130 Cb -0.11 -0.23 0.40 0.00 -1.51 0.00 0.00 72.50 71.05 3ia7 s THR 130 CO 0.02 0.09 1.39 0.61 -2.21 0.00 0.00 174.62 174.52 3ia7 n GLY 131 N 4.42 0.77 0.25 6.08 0.00 -1.26 -1.32 105.19 114.13 3ia7 n GLY 131 Ca -0.22 -0.46 -0.02 0.00 0.00 0.00 0.00 46.02 45.32 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 1.17 4.15 3.77 -0.02 0.00 -1.26 -4.85 105.19 108.15 3ia7 n GLY 132 Ca 0.15 -2.20 -0.41 0.00 0.00 0.00 0.00 46.02 43.57 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 -1.17 2.82 0.63 1.61 0.08 -1.26 -4.72 117.98 115.97 3ia7 s PHE 133 Ca 0.00 1.32 -0.16 0.00 0.12 0.00 0.00 56.93 58.21 3ia7 s PHE 133 Cb 0.00 -3.82 -0.01 0.00 -0.57 0.00 0.00 43.02 38.62 3ia7 s PHE 133 CO 0.00 -2.36 1.12 0.00 -0.10 0.00 0.00 175.22 173.88 3ia7 s ALA 134 N -1.15 2.51 -0.03 5.36 0.00 -1.26 -4.84 121.76 122.35 3ia7 s ALA 134 Ca 0.52 0.64 0.05 0.00 0.00 0.00 0.00 51.96 53.16 3ia7 s ALA 134 Cb -0.42 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.35 3ia7 s ALA 134 CO 0.56 -1.17 -0.18 0.00 0.00 0.00 0.00 175.76 174.97 3ia7 s ALA 135 N -2.17 1.56 0.00 0.00 0.00 -1.26 -4.67 121.76 115.22 3ia7 s ALA 135 Ca 0.69 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.89 3ia7 s ALA 135 Cb -0.22 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.44 3ia7 s ALA 135 CO 0.38 0.33 0.00 0.27 0.00 0.00 0.00 175.76 176.74 3ia7 n ASN 136 N 2.88 0.00 0.08 0.00 6.94 -0.88 -4.98 115.26 119.29 3ia7 n ASN 136 Ca -0.16 -0.11 0.09 0.00 -0.02 0.00 0.00 54.58 54.37 3ia7 n ASN 136 Cb 0.53 0.00 0.39 0.00 -2.36 0.00 0.00 39.78 38.34 3ia7 n ASN 136 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3ia7 n GLU 137 N 0.00 0.10 -0.04 -3.83 4.71 -1.26 -3.67 120.64 116.65 3ia7 n GLU 137 Ca 0.00 0.41 0.03 0.00 -0.01 0.00 0.00 57.16 57.59 3ia7 n GLU 137 Cb 0.00 -1.72 -0.16 0.00 -1.01 0.00 0.00 31.44 28.54 3ia7 n GLU 137 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 3ia7 n HIS 138 N -1.92 0.02 -3.68 -0.32 8.25 -1.26 -4.98 115.22 111.33 3ia7 n HIS 138 Ca 0.02 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.36 3ia7 n HIS 138 Cb 0.15 -0.69 -0.09 0.00 1.12 0.00 0.00 29.99 30.48 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 -3.13 -0.68 -0.17 4.41 5.04 -1.24 -5.05 117.35 116.54 3ia7 s TYR 139 Ca -0.09 1.54 -0.04 0.00 -2.44 0.00 0.00 57.07 56.04 3ia7 s TYR 139 Cb 0.11 0.28 0.09 0.00 0.35 0.00 0.00 41.96 42.79 3ia7 s TYR 139 CO 0.88 -0.34 0.28 0.45 -1.34 0.00 0.00 175.55 175.48 3ia7 s SER 140 N 0.70 0.59 0.23 4.32 0.15 -1.26 -2.07 113.70 116.36 3ia7 s SER 140 Ca -0.03 0.32 -0.06 0.00 0.70 0.00 0.00 55.95 56.88 3ia7 s SER 140 Cb -0.05 0.71 0.34 0.00 -1.71 0.00 0.00 66.02 65.31 3ia7 s SER 140 CO -0.05 -0.27 1.82 0.25 1.20 0.00 0.00 173.24 176.19 3ia7 h LEU 141 N 8.27 0.68 -0.48 3.45 5.85 -1.88 -1.30 115.31 129.91 3ia7 h LEU 141 Ca -0.16 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.61 3ia7 h LEU 141 Cb 1.13 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 3ia7 h LEU 141 CO 0.20 0.42 0.30 -0.26 -0.34 0.00 0.00 178.44 178.76 3ia7 h PHE 142 N 0.81 0.57 -0.58 1.25 0.04 -1.95 0.52 116.94 117.60 3ia7 h PHE 142 Ca 0.37 0.02 0.02 0.00 2.80 0.00 0.00 57.97 61.17 3ia7 h PHE 142 Cb 0.27 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.19 3ia7 h PHE 142 CO -0.06 0.35 0.37 0.87 -0.60 0.00 0.00 178.31 179.24 3ia7 h LYS 143 N 0.61 0.72 -0.78 1.51 1.57 -1.90 -1.62 116.57 116.69 3ia7 h LYS 143 Ca 0.18 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 3ia7 h LYS 143 Cb -0.04 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.07 3ia7 h LYS 143 CO -0.06 0.48 0.42 0.93 -0.57 0.00 0.00 179.45 180.65 3ia7 h GLU 144 N 0.74 1.09 -0.12 3.15 4.39 -0.62 -1.50 114.58 121.71 3ia7 h GLU 144 Ca 0.22 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 3ia7 h GLU 144 Cb -0.04 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.39 3ia7 h GLU 144 CO -0.07 0.81 0.06 -0.07 -1.16 0.00 0.00 179.01 178.58 3ia7 h LEU 145 N 1.08 0.16 -0.69 1.33 3.38 -0.67 -0.30 115.31 119.60 3ia7 h LEU 145 Ca 0.27 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.16 3ia7 h LEU 145 Cb 0.04 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3ia7 h LEU 145 CO -0.04 0.23 0.43 -0.50 0.09 0.00 0.00 178.44 178.64 3ia7 h TRP 146 N 0.08 0.81 0.07 1.13 6.55 -1.23 -1.19 115.95 122.17 3ia7 h TRP 146 Ca 0.04 0.02 -0.00 0.00 0.95 0.00 0.00 58.89 59.90 3ia7 h TRP 146 Cb 0.11 -0.27 0.00 0.00 -0.86 0.00 0.00 29.16 28.14 3ia7 h TRP 146 CO -0.03 0.47 -0.04 -0.22 -1.05 0.00 0.00 178.44 177.57 3ia7 h LYS 147 N 0.85 -0.10 0.00 0.49 3.64 -1.15 0.11 116.57 120.42 3ia7 h LYS 147 Ca 0.27 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.59 3ia7 h LYS 147 Cb 0.01 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3ia7 h LYS 147 CO -0.10 -0.04 -0.33 0.66 -2.27 0.00 0.00 179.45 177.37 3ia7 h SER 148 N -0.12 0.00 -0.33 4.20 4.64 -0.79 -1.46 113.55 119.69 3ia7 h SER 148 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3ia7 h SER 148 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3ia7 h SER 148 CO 0.02 0.33 0.00 0.59 -0.87 0.00 0.00 176.83 176.89 3ia7 n ASN 149 N -4.01 1.90 -2.09 4.97 5.03 -0.47 -4.95 115.26 115.63 3ia7 n ASN 149 Ca -0.02 -1.95 -0.19 0.00 0.87 0.00 0.00 54.58 53.29 3ia7 n ASN 149 Cb 0.38 -0.22 -0.04 0.00 -1.02 0.00 0.00 39.78 38.89 3ia7 n ASN 149 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3ia7 n GLY 150 N 1.09 0.34 3.84 7.41 0.00 -0.55 -5.00 105.19 112.31 3ia7 n GLY 150 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 3ia7 n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ia7 s GLN 151 N -4.51 4.01 0.50 1.61 -0.21 0.29 -5.01 119.66 116.34 3ia7 s GLN 151 Ca 0.00 0.52 -0.21 0.00 0.02 0.00 0.00 55.36 55.69 3ia7 s GLN 151 Cb 0.00 -3.00 -0.07 0.00 1.00 0.00 0.00 33.01 30.95 3ia7 s GLN 151 CO 0.00 0.52 1.13 1.03 -2.12 0.00 0.00 175.29 175.85 3ia7 s ARG 152 N -1.78 3.57 0.26 2.91 0.52 -1.26 -4.39 118.95 118.77 3ia7 s ARG 152 Ca 0.36 1.65 -0.30 0.00 -0.52 0.00 0.00 55.73 56.91 3ia7 s ARG 152 Cb -0.16 -2.18 -0.14 0.00 0.52 0.00 0.00 34.95 33.00 3ia7 s ARG 152 CO 0.19 -0.68 1.24 1.58 0.02 0.00 0.00 175.30 177.64 3ia7 n HIS 153 N -0.93 1.80 -0.06 -0.53 -0.00 -1.26 -4.84 115.22 109.41 3ia7 n HIS 153 Ca 0.10 0.57 0.17 0.00 -0.00 0.00 0.00 57.72 58.56 3ia7 n HIS 153 Cb 0.50 -2.36 0.60 0.00 -0.00 0.00 0.00 29.99 28.73 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 3.15 0.19 0.00 1.57 0.13 -1.95 0.12 132.00 135.21 3ia7 h PRO 154 Ca -0.43 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.65 3ia7 h PRO 154 Cb 1.31 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 3ia7 h PRO 154 CO 0.68 0.12 -0.15 0.00 -0.23 0.00 0.00 178.00 178.43 3ia7 h ALA 155 N 1.71 1.62 -0.25 -0.56 0.00 -1.92 -1.35 119.26 118.51 3ia7 h ALA 155 Ca 0.29 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3ia7 h ALA 155 Cb 0.86 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3ia7 h ALA 155 CO -0.05 0.19 0.00 -0.25 0.00 0.00 0.00 179.25 179.14 3ia7 n ASP 156 N -4.17 1.89 -4.34 0.00 8.00 0.43 -4.52 116.55 113.84 3ia7 n ASP 156 Ca -0.02 -2.12 -0.36 0.00 0.71 0.00 0.00 54.79 53.00 3ia7 n ASP 156 Cb 0.23 -0.31 -0.13 0.00 -0.02 0.00 0.00 41.12 40.88 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 -1.64 3.73 0.14 2.53 1.01 -0.51 -4.94 120.40 120.72 3ia7 s VAL 157 Ca 0.19 -0.55 -0.25 0.00 0.00 0.00 0.00 61.98 61.37 3ia7 s VAL 157 Cb 0.11 -2.81 -0.01 0.00 0.00 0.00 0.00 36.38 33.67 3ia7 s VAL 157 CO 0.10 0.26 1.62 -0.08 0.00 0.00 0.00 175.10 177.00 3ia7 h GLU 158 N 8.17 -0.35 -0.80 2.72 4.57 -1.86 0.83 114.58 127.87 3ia7 h GLU 158 Ca -0.36 0.02 0.04 0.00 -1.18 0.00 0.00 59.36 57.88 3ia7 h GLU 158 Cb 1.15 0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 29.77 3ia7 h GLU 158 CO 0.59 -0.23 0.53 0.00 -1.18 0.00 0.00 179.01 178.72 3ia7 h ALA 159 N 0.51 1.54 0.02 2.92 0.00 -1.95 0.69 119.26 122.98 3ia7 h ALA 159 Ca 0.10 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 3ia7 h ALA 159 Cb 0.52 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.05 3ia7 h ALA 159 CO -0.34 0.38 -0.47 0.28 0.00 0.00 0.00 179.25 179.09 3ia7 h VAL 160 N 0.96 1.50 -0.72 0.00 2.07 -1.58 -3.18 116.25 115.31 3ia7 h VAL 160 Ca 0.32 -2.11 0.05 0.00 0.82 0.00 0.00 66.70 65.77 3ia7 h VAL 160 Cb 0.08 2.79 -0.05 0.00 -1.52 0.00 0.00 31.29 32.59 3ia7 h VAL 160 CO -0.10 0.60 0.44 -0.74 0.02 0.00 0.00 177.57 177.79 3ia7 h HIS 161 N -0.34 0.81 0.19 1.57 6.17 0.11 -1.59 115.15 122.09 3ia7 h HIS 161 Ca -0.07 0.02 -0.00 0.00 0.71 0.00 0.00 60.37 61.04 3ia7 h HIS 161 Cb 1.24 -0.26 -0.01 0.00 2.52 0.00 0.00 27.41 30.90 3ia7 h HIS 161 CO 0.17 0.43 -0.13 0.66 0.71 0.00 0.00 177.93 179.77 3ia7 h SER 162 N 0.83 -0.34 -0.90 3.26 4.64 0.30 -0.57 113.55 120.77 3ia7 h SER 162 Ca 0.31 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.64 3ia7 h SER 162 Cb 0.10 0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 62.25 3ia7 h SER 162 CO -0.14 -0.21 0.53 -0.37 -0.87 0.00 0.00 176.83 175.77 3ia7 h VAL 163 N -0.33 1.25 -0.25 0.95 -1.51 -1.46 -2.43 116.25 112.48 3ia7 h VAL 163 Ca -0.01 -0.56 -0.14 0.00 -1.23 0.00 0.00 66.70 64.75 3ia7 h VAL 163 Cb 0.28 -0.01 -0.01 0.00 -2.13 0.00 0.00 31.29 29.42 3ia7 h VAL 163 CO 0.01 0.27 -0.42 -0.07 -1.23 0.00 0.00 177.57 176.12 3ia7 h LEU 164 N 1.24 0.65 -0.11 4.19 3.38 -1.00 -0.12 115.31 123.54 3ia7 h LEU 164 Ca 0.32 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3ia7 h LEU 164 Cb -0.04 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3ia7 h LEU 164 CO -0.06 0.99 -0.05 0.58 0.09 0.00 0.00 178.44 179.99 3ia7 h VAL 165 N 0.50 0.83 0.28 1.22 2.07 -0.73 0.92 116.25 121.34 3ia7 h VAL 165 Ca 0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.56 3ia7 h VAL 165 Cb 0.94 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 3ia7 h VAL 165 CO 0.08 0.00 -0.29 0.44 0.02 0.00 0.00 177.57 177.83 3ia7 h ASP 166 N -0.04 -0.78 0.29 0.57 3.32 -1.20 -0.73 116.42 117.86 3ia7 h ASP 166 Ca 0.06 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3ia7 h ASP 166 Cb 0.13 0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 3ia7 h ASP 166 CO -0.13 -0.41 -0.34 0.25 -1.72 0.00 0.00 179.24 176.88 3ia7 h LEU 167 N -0.61 -0.93 -1.53 1.55 5.85 -0.89 -2.10 115.31 116.65 3ia7 h LEU 167 Ca -0.01 0.09 0.12 0.00 0.84 0.00 0.00 57.88 58.92 3ia7 h LEU 167 Cb 0.56 0.32 -0.05 0.00 0.37 0.00 0.00 40.66 41.86 3ia7 h LEU 167 CO -0.06 -0.46 0.48 -0.07 -0.34 0.00 0.00 178.44 177.98 3ia7 h LEU 168 N -0.67 0.46 -0.29 2.25 4.07 -0.82 -2.85 115.31 117.45 3ia7 h LEU 168 Ca -0.01 0.02 -0.08 0.00 0.08 0.00 0.00 57.88 57.89 3ia7 h LEU 168 Cb 0.63 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.29 3ia7 h LEU 168 CO -0.09 0.26 -0.12 1.23 -1.08 0.00 0.00 178.44 178.64 3ia7 h GLY 169 N 0.50 0.63 0.37 0.83 0.00 -0.67 -0.48 103.07 104.25 3ia7 h GLY 169 Ca 0.35 -0.56 0.17 0.00 0.00 0.00 0.00 47.33 47.29 3ia7 h GLY 169 CO -0.12 0.51 0.65 0.50 0.00 0.00 0.00 176.54 178.08 3ia7 h LYS 170 N 0.33 0.00 -0.43 4.80 1.57 -1.15 0.04 116.57 121.74 3ia7 h LYS 170 Ca 0.07 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.61 3ia7 h LYS 170 Cb 0.62 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.79 3ia7 h LYS 170 CO 0.04 0.00 -0.05 0.66 -0.57 0.00 0.00 179.45 179.53 3ia7 n TYR 171 N -3.61 1.34 -2.40 -1.35 4.01 -1.09 -4.96 117.16 109.11 3ia7 n TYR 171 Ca 0.12 -1.70 -0.10 0.00 -0.16 0.00 0.00 57.90 56.05 3ia7 n TYR 171 Cb 0.87 -0.54 -0.01 0.00 -0.31 0.00 0.00 39.34 39.35 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 -1.11 -0.43 3.56 2.72 0.00 -0.00 -4.86 105.19 105.08 3ia7 n GLY 172 Ca 0.36 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.48 5.28 -1.31 1.61 1.01 -0.21 -4.96 120.40 119.34 3ia7 s VAL 173 Ca 0.00 0.05 0.11 0.00 0.00 0.00 0.00 61.98 62.14 3ia7 s VAL 173 Cb 0.00 -3.64 0.07 0.00 0.00 0.00 0.00 36.38 32.81 3ia7 s VAL 173 CO 0.00 0.11 0.81 -0.67 0.00 0.00 0.00 175.10 175.35 3ia7 n ASP 174 N 5.13 1.80 -4.69 3.32 4.64 -1.26 -3.57 116.55 121.92 3ia7 n ASP 174 Ca -0.13 -1.40 -0.44 0.00 -1.38 0.00 0.00 54.79 51.45 3ia7 n ASP 174 Cb 0.51 0.09 -0.02 0.00 -1.04 0.00 0.00 41.12 40.65 3ia7 n ASP 174 CO 0.00 0.00 0.00 0.41 -0.82 0.00 0.00 177.20 176.79 3ia7 n THR 175 N 0.46 1.09 -1.61 5.18 -1.04 -1.26 -4.94 114.28 112.16 3ia7 n THR 175 Ca 0.06 -0.27 -0.39 0.00 -2.04 0.00 0.00 64.05 61.41 3ia7 n THR 175 Cb 0.27 -1.57 0.04 0.00 -1.82 0.00 0.00 70.33 67.25 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 1.88 1.08 -0.22 -2.82 -0.02 -1.26 -4.71 135.00 128.93 3ia7 n PRO 176 Ca 0.10 0.40 -0.07 0.00 -2.02 0.00 0.00 63.50 61.92 3ia7 n PRO 176 Cb 0.33 -2.13 0.04 0.00 -0.02 0.00 0.00 33.50 31.71 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 0.87 1.22 -0.20 -1.45 2.07 -1.93 -1.56 116.25 115.27 3ia7 h VAL 177 Ca -0.47 -0.65 -0.09 0.00 0.82 0.00 0.00 66.70 66.30 3ia7 h VAL 177 Cb 1.35 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 3ia7 h VAL 177 CO 0.53 0.26 -0.28 0.50 0.02 0.00 0.00 177.57 178.60 3ia7 h LYS 178 N 0.87 0.38 0.14 1.57 3.64 -1.90 -0.72 116.57 120.55 3ia7 h LYS 178 Ca 0.21 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 3ia7 h LYS 178 Cb 0.15 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3ia7 h LYS 178 CO -0.02 0.64 -0.07 1.49 -2.27 0.00 0.00 179.45 179.22 3ia7 h GLU 179 N 0.34 -0.18 -0.94 1.90 4.57 -1.79 -2.32 114.58 116.16 3ia7 h GLU 179 Ca 0.05 0.01 0.22 0.00 -1.18 0.00 0.00 59.36 58.46 3ia7 h GLU 179 Cb 0.68 0.04 -0.18 0.00 -0.16 0.00 0.00 28.75 29.13 3ia7 h GLU 179 CO 0.05 0.24 -0.12 0.98 -1.18 0.00 0.00 179.01 178.98 3ia7 n TYR 180 N -4.89 0.46 -0.22 0.92 4.19 -0.64 0.42 117.16 117.40 3ia7 n TYR 180 Ca -0.07 1.14 0.02 0.00 3.31 0.00 0.00 57.90 62.31 3ia7 n TYR 180 Cb 0.25 -1.12 0.14 0.00 0.49 0.00 0.00 39.34 39.10 3ia7 n TYR 180 CO 0.00 0.00 0.00 2.35 0.91 0.00 0.00 176.86 180.12 3ia7 h TRP 181 N 0.00 0.35 -0.08 2.98 2.91 -1.04 -2.71 115.95 118.37 3ia7 h TRP 181 Ca 0.51 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.56 3ia7 h TRP 181 Cb 0.91 -0.06 0.00 0.00 -0.51 0.00 0.00 29.16 29.50 3ia7 h TRP 181 CO -0.61 0.03 0.00 -0.25 -1.03 0.00 0.00 178.44 176.57 3ia7 n ASP 182 N -5.06 1.76 -4.77 2.65 10.43 0.17 -4.95 116.55 116.79 3ia7 n ASP 182 Ca 0.11 -1.62 -0.40 0.00 2.57 0.00 0.00 54.79 55.45 3ia7 n ASP 182 Cb 0.35 -0.04 0.01 0.00 1.84 0.00 0.00 41.12 43.28 3ia7 n ASP 182 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 3ia7 s GLU 183 N -1.92 3.80 -0.01 -1.24 2.02 0.00 -4.99 118.70 116.37 3ia7 s GLU 183 Ca 0.36 2.39 -0.21 0.00 0.02 0.00 0.00 54.97 57.53 3ia7 s GLU 183 Cb 0.20 -2.72 -0.05 0.00 0.10 0.00 0.00 34.13 31.66 3ia7 s GLU 183 CO 0.31 -0.71 0.61 0.42 0.02 0.00 0.00 175.26 175.90 3ia7 s ILE 184 N -1.20 4.92 0.63 -1.63 1.01 -1.26 -5.06 121.20 118.60 3ia7 s ILE 184 Ca 0.59 1.27 -0.14 0.00 0.00 0.00 0.00 60.65 62.37 3ia7 s ILE 184 Cb -0.43 -3.94 -0.02 0.00 0.01 0.00 0.00 42.46 38.08 3ia7 s ILE 184 CO 0.56 0.40 1.06 -1.61 0.00 0.00 0.00 174.94 175.35 3ia7 s GLU 185 N -0.10 3.14 0.29 2.79 0.41 -1.26 -4.95 118.70 119.01 3ia7 s GLU 185 Ca 0.32 1.14 0.04 0.00 -0.41 0.00 0.00 54.97 56.05 3ia7 s GLU 185 Cb -0.18 -2.01 0.71 0.00 -1.78 0.00 0.00 34.13 30.87 3ia7 s GLU 185 CO 0.17 -0.95 1.71 0.78 -0.49 0.00 0.00 175.26 176.48 3ia7 h GLY 186 N 0.03 1.55 -5.17 -1.39 0.00 -1.91 -3.41 103.07 92.76 3ia7 h GLY 186 Ca -0.46 -0.19 -0.17 0.00 0.00 0.00 0.00 47.33 46.51 3ia7 h GLY 186 CO 0.57 -0.23 -0.52 -2.27 0.00 0.00 0.00 176.54 174.08 3ia7 s LEU 187 N -10.46 1.48 -0.06 3.11 2.96 -1.26 -4.67 118.68 109.77 3ia7 s LEU 187 Ca -0.12 0.11 -0.00 0.00 -0.22 0.00 0.00 54.13 53.90 3ia7 s LEU 187 Cb 0.25 0.58 0.02 0.00 0.50 0.00 0.00 46.19 47.54 3ia7 s LEU 187 CO 0.78 -0.18 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.72 3ia7 s THR 188 N -0.49 0.51 -0.27 3.68 2.01 0.19 -1.70 115.64 119.57 3ia7 s THR 188 Ca -0.06 -0.03 -0.12 0.00 0.31 0.00 0.00 61.69 61.79 3ia7 s THR 188 Cb -0.04 -0.59 -0.05 0.00 0.01 0.00 0.00 72.50 71.84 3ia7 s THR 188 CO 0.01 0.25 0.23 -0.63 -0.69 0.00 0.00 174.62 173.79 3ia7 s ILE 189 N 1.43 5.28 -0.26 1.82 1.01 -0.43 -0.99 121.20 129.06 3ia7 s ILE 189 Ca -0.03 0.28 -0.07 0.00 0.00 0.00 0.00 60.65 60.83 3ia7 s ILE 189 Cb -0.13 -3.57 -0.02 0.00 0.01 0.00 0.00 42.46 38.75 3ia7 s ILE 189 CO -0.03 0.24 0.07 -0.69 0.00 0.00 0.00 174.94 174.53 3ia7 s VAL 190 N 1.74 4.23 -0.30 2.92 1.01 0.10 -2.10 120.40 128.00 3ia7 s VAL 190 Ca 0.09 -0.28 -0.05 0.00 0.00 0.00 0.00 61.98 61.74 3ia7 s VAL 190 Cb -0.16 -3.02 -0.10 0.00 0.00 0.00 0.00 36.38 33.10 3ia7 s VAL 190 CO 0.10 0.29 3.18 0.49 0.00 0.00 0.00 175.10 179.16 3ia7 n PHE 191 N 4.91 0.89 -4.14 5.22 3.72 -0.43 -1.19 117.46 126.43 3ia7 n PHE 191 Ca -0.16 -1.80 -0.13 0.00 -0.05 0.00 0.00 57.45 55.31 3ia7 n PHE 191 Cb 0.51 -1.54 -0.11 0.00 -0.94 0.00 0.00 39.48 37.40 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 -1.04 2.39 0.27 4.37 1.43 -1.25 -3.07 118.68 121.78 3ia7 s LEU 192 Ca 0.63 -0.79 -0.29 0.00 -1.03 0.00 0.00 54.13 52.65 3ia7 s LEU 192 Cb 0.34 -0.21 -0.09 0.00 0.03 0.00 0.00 46.19 46.25 3ia7 s LEU 192 CO -0.11 -0.29 1.04 -2.16 0.23 0.00 0.00 176.35 175.06 3ia7 s PRO 193 N -2.70 4.69 0.35 1.29 0.04 -1.26 -1.86 135.00 135.55 3ia7 s PRO 193 Ca 0.03 1.66 0.13 0.00 0.04 0.00 0.00 61.00 62.86 3ia7 s PRO 193 Cb -0.03 -3.17 0.97 0.00 0.04 0.00 0.00 34.50 32.31 3ia7 s PRO 193 CO -0.01 0.30 1.74 -0.22 0.04 0.00 0.00 177.00 178.85 3ia7 h LYS 194 N 3.84 0.49 0.00 4.56 3.64 -1.92 -1.52 116.57 125.66 3ia7 h LYS 194 Ca -0.46 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 3ia7 h LYS 194 Cb 1.21 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 3ia7 h LYS 194 CO 0.67 0.33 0.00 1.03 -2.27 0.00 0.00 179.45 179.21 3ia7 h SER 195 N 0.51 0.00 1.36 4.20 0.87 -1.97 -1.50 113.55 117.02 3ia7 h SER 195 Ca 0.63 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.19 3ia7 h SER 195 Cb 1.35 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.31 3ia7 h SER 195 CO -0.41 0.00 0.00 0.15 -0.53 0.00 0.00 176.83 176.04 3ia7 h PHE 196 N 0.00 0.00 -3.15 2.24 3.57 -1.66 -3.45 116.94 114.49 3ia7 h PHE 196 Ca 0.00 0.00 -0.57 0.00 3.53 0.00 0.00 57.97 60.93 3ia7 h PHE 196 Cb 0.38 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.07 3ia7 h PHE 196 CO 0.00 0.00 0.70 -1.14 -2.23 0.00 0.00 178.31 175.64 3ia7 s GLN 197 N -3.19 4.31 0.24 1.11 2.00 -0.57 -5.01 119.66 118.55 3ia7 s GLN 197 Ca 0.08 1.34 -0.31 0.00 -2.00 0.00 0.00 55.36 54.47 3ia7 s GLN 197 Cb 0.11 -3.61 -0.13 0.00 0.80 0.00 0.00 33.01 30.17 3ia7 s GLN 197 CO 0.56 -0.52 1.42 -2.30 -0.50 0.00 0.00 175.29 173.95 3ia7 n PRO 198 N 5.88 2.07 -2.97 1.67 -0.02 -1.26 -2.59 135.00 137.77 3ia7 n PRO 198 Ca 0.10 0.74 -0.22 0.00 -2.02 0.00 0.00 63.50 62.10 3ia7 n PRO 198 Cb 0.47 -2.40 0.03 0.00 -0.02 0.00 0.00 33.50 31.58 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 1.96 -1.84 -0.24 6.00 3.72 -1.26 -4.88 117.46 120.90 3ia7 n PHE 199 Ca 0.12 0.45 0.03 0.00 -0.05 0.00 0.00 57.45 58.00 3ia7 n PHE 199 Cb 0.32 -4.28 0.16 0.00 -0.94 0.00 0.00 39.48 34.73 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 0.99 -0.54 4.37 0.00 -1.79 -2.09 119.26 121.20 3ia7 h ALA 200 Ca -0.52 0.09 0.16 0.00 0.00 0.00 0.00 54.91 54.64 3ia7 h ALA 200 Cb 1.36 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 3ia7 h ALA 200 CO 0.57 -0.17 0.56 1.05 0.00 0.00 0.00 179.25 181.26 3ia7 h GLU 201 N 0.48 0.00 -0.00 0.00 9.09 -1.90 -1.99 114.58 120.26 3ia7 h GLU 201 Ca 0.38 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.79 3ia7 h GLU 201 Cb 0.52 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.62 3ia7 h GLU 201 CO -0.35 0.00 -0.09 0.25 0.05 0.00 0.00 179.01 178.86 3ia7 n THR 202 N -3.71 0.00 -2.98 -1.06 -2.24 -0.79 -4.85 114.28 98.65 3ia7 n THR 202 Ca 0.10 -0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.46 3ia7 n THR 202 Cb 0.77 -0.35 -0.05 0.00 -2.10 0.00 0.00 70.33 68.59 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 -2.96 3.18 0.27 4.78 0.08 -0.75 -5.03 117.98 117.56 3ia7 s PHE 203 Ca 0.15 0.70 -0.04 0.00 0.12 0.00 0.00 56.93 57.86 3ia7 s PHE 203 Cb 0.19 -3.22 0.06 0.00 -0.57 0.00 0.00 43.02 39.48 3ia7 s PHE 203 CO 0.55 -0.59 0.37 -0.40 -0.10 0.00 0.00 175.22 175.05 3ia7 n ASP 204 N 6.19 0.08 0.29 1.36 5.68 -1.26 -4.88 116.55 124.01 3ia7 n ASP 204 Ca 0.03 -1.16 0.17 0.00 -0.50 0.00 0.00 54.79 53.32 3ia7 n ASP 204 Cb 0.48 -0.28 0.91 0.00 -1.14 0.00 0.00 41.12 41.09 3ia7 n ASP 204 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3ia7 h GLU 205 N 0.00 0.00 0.00 0.11 9.09 -2.00 -1.54 114.58 120.24 3ia7 h GLU 205 Ca -0.12 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.29 3ia7 h GLU 205 Cb 0.34 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.44 3ia7 h GLU 205 CO 0.09 0.05 0.00 0.54 0.05 0.00 0.00 179.01 179.73 3ia7 n ARG 206 N -3.48 0.74 -4.10 1.06 1.74 -1.26 -4.64 116.66 106.72 3ia7 n ARG 206 Ca -0.02 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.73 3ia7 n ARG 206 Cb 0.16 -1.26 -0.16 0.00 -1.02 0.00 0.00 32.46 30.18 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 -2.00 2.82 -0.34 -1.55 0.08 -0.58 -0.64 117.98 115.77 3ia7 s PHE 207 Ca 0.19 -1.73 -0.06 0.00 0.12 0.00 0.00 56.93 55.44 3ia7 s PHE 207 Cb 0.08 -1.90 0.04 0.00 -0.57 0.00 0.00 43.02 40.68 3ia7 s PHE 207 CO 0.14 -0.81 0.10 0.00 -0.10 0.00 0.00 175.22 174.55 3ia7 s ALA 208 N 1.27 3.03 -0.89 5.36 0.00 -0.16 -4.88 121.76 125.49 3ia7 s ALA 208 Ca 0.03 -1.74 -0.21 0.00 0.00 0.00 0.00 51.96 50.03 3ia7 s ALA 208 Cb -0.14 -2.25 0.09 0.00 0.00 0.00 0.00 23.12 20.82 3ia7 s ALA 208 CO -0.12 -1.33 1.18 -0.06 0.00 0.00 0.00 175.76 175.44 3ia7 s PHE 209 N 1.39 2.84 -1.71 0.00 0.08 -1.26 0.00 117.98 119.33 3ia7 s PHE 209 Ca -0.02 -1.01 0.22 0.00 0.12 0.00 0.00 56.93 56.24 3ia7 s PHE 209 Cb -0.19 -4.40 -0.08 0.00 -0.57 0.00 0.00 43.02 37.77 3ia7 s PHE 209 CO 0.03 -1.66 1.03 1.33 -0.10 0.00 0.00 175.22 175.84 3ia7 n VAL 210 N 5.97 0.00 0.00 -0.44 0.24 -0.33 -4.43 118.33 119.34 3ia7 n VAL 210 Ca 0.19 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 3ia7 n VAL 210 Cb 0.49 1.18 0.00 0.00 -1.47 0.00 0.00 33.84 34.04 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 1.45 -1.22 3.76 7.63 0.00 -0.78 -0.44 105.19 115.60 3ia7 n GLY 211 Ca 0.08 -1.60 -0.38 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.46 3.45 0.10 1.61 0.04 -1.17 -3.86 135.00 133.71 3ia7 s PRO 212 Ca 0.00 2.14 -0.31 0.00 0.04 0.00 0.00 61.00 62.87 3ia7 s PRO 212 Cb 0.00 -2.40 -0.08 0.00 0.04 0.00 0.00 34.50 32.06 3ia7 s PRO 212 CO 0.00 -0.91 1.40 0.99 0.04 0.00 0.00 177.00 178.52 3ia7 s THR 213 N -1.34 3.34 0.00 1.26 2.01 -1.26 -4.75 115.64 114.90 3ia7 s THR 213 Ca 0.67 0.93 0.00 0.00 0.31 0.00 0.00 61.69 63.60 3ia7 s THR 213 Cb -0.38 -3.60 0.00 0.00 0.01 0.00 0.00 72.50 68.53 3ia7 s THR 213 CO 0.46 0.06 0.00 0.00 -0.69 0.00 0.00 174.62 174.45 3ia7 n LEU 214 N 4.20 0.00 -1.73 4.42 -0.00 -1.26 -5.04 117.00 117.59 3ia7 n LEU 214 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.13 3ia7 n LEU 214 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.84 3ia7 n LEU 214 CO 0.59 0.00 -0.23 0.00 -0.00 0.00 0.00 177.39 177.75 3ia7 n GLN 220 N -0.72 -2.58 -1.43 1.47 6.02 -1.26 -5.12 117.38 113.76 3ia7 n GLN 220 Ca 0.00 1.85 -0.43 0.00 -0.01 0.00 0.00 57.00 58.40 3ia7 n GLN 220 Cb 0.00 -2.29 -0.01 0.00 1.02 0.00 0.00 30.24 28.96 3ia7 n GLN 220 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 3ia7 n PRO 221 N 0.86 0.46 -2.30 -1.09 -0.02 -1.26 -4.93 135.00 126.73 3ia7 n PRO 221 Ca 0.00 0.17 -0.26 0.00 -2.02 0.00 0.00 63.50 61.39 3ia7 n PRO 221 Cb 0.00 -1.36 0.11 0.00 -0.02 0.00 0.00 33.50 32.23 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 -0.91 1.74 0.40 -1.23 0.00 -1.26 -5.04 107.32 101.02 3ia7 s GLY 222 Ca 0.62 -1.28 -0.25 0.00 0.00 0.00 0.00 44.72 43.80 3ia7 s GLY 222 CO 0.59 -0.75 1.18 0.86 0.00 0.00 0.00 173.10 174.97 3ia7 s TRP 223 N -3.33 3.04 -0.01 1.90 -0.00 -1.26 -5.05 118.94 114.22 3ia7 s TRP 223 Ca 0.65 1.54 0.04 0.00 -0.00 0.00 0.00 56.10 58.33 3ia7 s TRP 223 Cb -0.07 -3.41 -0.01 0.00 -0.00 0.00 0.00 33.47 29.98 3ia7 s TRP 223 CO 0.46 -1.38 -0.13 -0.65 -0.00 0.00 0.00 176.95 175.25 3ia7 s GLN 224 N -2.32 1.11 0.33 5.86 -1.52 -1.26 -4.73 119.66 117.13 3ia7 s GLN 224 Ca 0.57 -0.47 -0.29 0.00 -1.95 0.00 0.00 55.36 53.23 3ia7 s GLN 224 Cb -0.31 -1.06 -0.10 0.00 -0.22 0.00 0.00 33.01 31.32 3ia7 s GLN 224 CO 0.39 0.27 1.36 -1.25 -0.25 0.00 0.00 175.29 175.80 3ia7 s PRO 225 N -0.23 4.30 0.33 2.91 0.04 -1.26 -4.91 135.00 136.18 3ia7 s PRO 225 Ca 0.04 2.29 0.16 0.00 0.04 0.00 0.00 61.00 63.53 3ia7 s PRO 225 Cb -0.06 -3.06 0.49 0.00 0.04 0.00 0.00 34.50 31.91 3ia7 s PRO 225 CO -0.00 -0.28 1.65 -1.00 0.04 0.00 0.00 177.00 177.40 3ia7 h PRO 226 N 3.55 0.00 -4.46 0.56 0.13 -2.00 -3.39 132.00 126.38 3ia7 h PRO 226 Ca -0.49 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.02 3ia7 h PRO 226 Cb 1.23 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.98 3ia7 h PRO 226 CO 0.67 0.46 -0.79 0.50 -0.23 0.00 0.00 178.00 178.61 3ia7 s ARG 227 N -3.45 1.74 0.58 0.86 3.52 -1.26 -5.02 118.95 115.91 3ia7 s ARG 227 Ca 0.01 -1.10 0.28 0.00 -0.13 0.00 0.00 55.73 54.79 3ia7 s ARG 227 Cb 0.11 -2.66 1.58 0.00 -1.56 0.00 0.00 34.95 32.41 3ia7 s ARG 227 CO 0.71 -0.61 2.06 -1.35 -0.81 0.00 0.00 175.30 175.30 3ia7 h PRO 228 N 7.91 0.00 -0.01 5.12 0.11 -2.01 -1.71 132.00 141.42 3ia7 h PRO 228 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 3ia7 h PRO 228 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3ia7 h PRO 228 CO 0.43 0.00 -0.34 -0.25 -0.21 0.00 0.00 178.00 177.63 3ia7 n ASP 229 N -3.90 0.87 -4.74 -2.05 8.00 -1.26 -4.95 116.55 108.52 3ia7 n ASP 229 Ca 0.03 -0.69 -0.41 0.00 0.71 0.00 0.00 54.79 54.43 3ia7 n ASP 229 Cb 0.40 0.18 -0.04 0.00 -0.02 0.00 0.00 41.12 41.64 3ia7 n ASP 229 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ia7 s ALA 230 N -2.66 3.35 0.15 2.24 0.00 -0.64 -4.98 121.76 119.21 3ia7 s ALA 230 Ca 0.20 0.77 -0.31 0.00 0.00 0.00 0.00 51.96 52.62 3ia7 s ALA 230 Cb 0.19 -3.34 -0.09 0.00 0.00 0.00 0.00 23.12 19.88 3ia7 s ALA 230 CO 0.58 -0.17 1.45 -1.25 0.00 0.00 0.00 175.76 176.37 3ia7 s PRO 231 N -0.35 4.28 -0.16 0.00 0.04 -1.26 -4.79 135.00 132.77 3ia7 s PRO 231 Ca 0.49 2.19 -0.06 0.00 0.04 0.00 0.00 61.00 63.66 3ia7 s PRO 231 Cb -0.28 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.02 3ia7 s PRO 231 CO 0.34 -0.48 0.03 0.08 0.04 0.00 0.00 177.00 177.01 3ia7 s VAL 232 N 0.98 4.55 -0.15 -0.36 1.01 -1.26 -0.65 120.40 124.51 3ia7 s VAL 232 Ca 0.66 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.50 3ia7 s VAL 232 Cb -0.40 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 3ia7 s VAL 232 CO 0.32 0.50 -0.12 -0.22 0.00 0.00 0.00 175.10 175.58 3ia7 s LEU 233 N 0.10 2.71 -0.20 3.92 2.96 -0.05 -0.24 118.68 127.88 3ia7 s LEU 233 Ca 0.03 -0.36 -0.12 0.00 -0.22 0.00 0.00 54.13 53.46 3ia7 s LEU 233 Cb -0.13 -1.63 -0.05 0.00 0.50 0.00 0.00 46.19 44.89 3ia7 s LEU 233 CO 0.01 0.12 0.23 -0.22 -1.32 0.00 0.00 176.35 175.18 3ia7 s LEU 234 N 0.61 4.18 -0.15 -0.68 2.96 -1.03 -1.15 118.68 123.41 3ia7 s LEU 234 Ca -0.07 0.31 -0.00 0.00 -0.22 0.00 0.00 54.13 54.15 3ia7 s LEU 234 Cb -0.15 -2.25 -0.01 0.00 0.50 0.00 0.00 46.19 44.28 3ia7 s LEU 234 CO 0.03 0.07 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.31 3ia7 s VAL 235 N 0.81 2.95 -0.17 1.68 1.01 0.37 -0.40 120.40 126.65 3ia7 s VAL 235 Ca 0.12 -0.68 -0.14 0.00 0.00 0.00 0.00 61.98 61.28 3ia7 s VAL 235 Cb -0.13 -2.25 0.05 0.00 0.00 0.00 0.00 36.38 34.04 3ia7 s VAL 235 CO 0.04 0.51 0.45 -0.55 0.00 0.00 0.00 175.10 175.54 3ia7 s SER 236 N 0.64 -0.49 -0.18 3.32 0.15 -0.77 -0.02 113.70 116.35 3ia7 s SER 236 Ca -0.07 0.92 0.16 0.00 0.70 0.00 0.00 55.95 57.66 3ia7 s SER 236 Cb -0.15 0.90 0.46 0.00 -1.71 0.00 0.00 66.02 65.51 3ia7 s SER 236 CO 0.03 -0.17 1.35 0.18 1.20 0.00 0.00 173.24 175.83 3ia7 n LEU 237 N 3.16 3.46 0.00 3.45 4.77 -1.26 -3.48 117.00 127.11 3ia7 n LEU 237 Ca -0.15 -3.15 0.00 0.00 -0.03 0.00 0.00 56.01 52.67 3ia7 n LEU 237 Cb 0.57 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3ia7 n LEU 237 CO 0.11 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 3ia7 n GLY 238 N -0.86 -2.62 3.47 -0.72 0.00 -1.26 -4.48 105.19 98.71 3ia7 n GLY 238 Ca 0.21 -1.68 -0.44 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.30 5.17 -4.72 1.61 5.15 -1.26 -4.27 115.26 116.64 3ia7 n ASN 239 Ca 0.00 -2.97 -0.33 0.00 -0.60 0.00 0.00 54.58 50.68 3ia7 n ASN 239 Cb 0.00 -1.60 0.12 0.00 -0.53 0.00 0.00 39.78 37.77 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 1.98 1.80 -0.23 1.20 -1.52 -1.26 -4.88 119.66 116.75 3ia7 s GLN 240 Ca 0.45 1.57 -0.19 0.00 -1.95 0.00 0.00 55.36 55.23 3ia7 s GLN 240 Cb -0.01 -1.81 -0.17 0.00 -0.22 0.00 0.00 33.01 30.79 3ia7 s GLN 240 CO 0.02 -2.05 0.05 0.34 -0.25 0.00 0.00 175.29 173.40 3ia7 n PHE 241 N -3.36 0.74 -2.57 0.91 7.35 -1.26 -4.57 117.46 114.70 3ia7 n PHE 241 Ca 0.12 0.32 -0.36 0.00 -0.76 0.00 0.00 57.45 56.77 3ia7 n PHE 241 Cb 0.51 -1.07 -0.04 0.00 0.35 0.00 0.00 39.48 39.23 3ia7 n PHE 241 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3ia7 s ASN 242 N -7.04 6.71 -0.14 -2.13 2.20 -1.26 -4.97 114.94 108.32 3ia7 s ASN 242 Ca -0.32 1.99 -0.04 0.00 -0.94 0.00 0.00 52.86 53.56 3ia7 s ASN 242 Cb 0.08 -2.58 -0.03 0.00 -2.00 0.00 0.00 41.25 36.72 3ia7 s ASN 242 CO 0.56 -0.52 -0.01 -1.61 -2.94 0.00 0.00 177.10 172.58 3ia7 s GLU 243 N -2.65 3.57 -0.63 3.55 2.02 -1.26 -5.03 118.70 118.28 3ia7 s GLU 243 Ca 0.59 -0.45 0.05 0.00 0.02 0.00 0.00 54.97 55.18 3ia7 s GLU 243 Cb -0.20 -2.95 0.32 0.00 0.10 0.00 0.00 34.13 31.40 3ia7 s GLU 243 CO 0.25 0.36 0.97 0.72 0.02 0.00 0.00 175.26 177.58 3ia7 n HIS 244 N 3.19 3.88 -0.01 1.61 8.25 -1.26 -4.87 115.22 126.01 3ia7 n HIS 244 Ca -0.17 -3.92 0.06 0.00 -0.26 0.00 0.00 57.72 53.42 3ia7 n HIS 244 Cb 0.53 -0.56 0.45 0.00 1.12 0.00 0.00 29.99 31.52 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 3.34 0.50 -0.60 -0.41 0.13 -1.98 -2.85 132.00 130.13 3ia7 h PRO 245 Ca 0.17 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3ia7 h PRO 245 Cb 0.52 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 31.51 3ia7 h PRO 245 CO 0.85 0.33 0.36 0.93 -0.23 0.00 0.00 178.00 180.24 3ia7 h GLU 246 N 0.51 0.81 -0.49 0.86 3.07 -1.98 -0.57 114.58 116.79 3ia7 h GLU 246 Ca 0.17 -0.08 -0.02 0.00 -0.50 0.00 0.00 59.36 58.93 3ia7 h GLU 246 Cb 0.05 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 27.77 3ia7 h GLU 246 CO -0.04 0.59 0.23 0.35 -1.40 0.00 0.00 179.01 178.74 3ia7 h PHE 247 N 0.81 0.70 -0.35 4.33 3.57 -1.91 -0.98 116.94 123.12 3ia7 h PHE 247 Ca 0.21 -0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.55 3ia7 h PHE 247 Cb -0.01 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.50 3ia7 h PHE 247 CO -0.02 0.56 -0.30 0.74 -2.23 0.00 0.00 178.31 177.07 3ia7 h PHE 248 N 0.64 0.85 -0.67 0.41 0.04 -1.34 -0.77 116.94 116.10 3ia7 h PHE 248 Ca 0.17 -0.22 -0.02 0.00 2.80 0.00 0.00 57.97 60.70 3ia7 h PHE 248 Cb 0.13 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 38.05 3ia7 h PHE 248 CO -0.01 0.94 0.33 0.00 -0.60 0.00 0.00 178.31 178.98 3ia7 h ARG 249 N 0.63 0.97 -0.72 1.51 3.08 -1.06 -0.96 114.38 117.82 3ia7 h ARG 249 Ca 0.07 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 3ia7 h ARG 249 Cb 0.81 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.66 3ia7 h ARG 249 CO 0.07 0.76 0.33 0.00 -1.07 0.00 0.00 179.97 180.06 3ia7 h ALA 250 N 1.15 0.93 -0.50 0.04 0.00 -0.77 -0.34 119.26 119.78 3ia7 h ALA 250 Ca 0.23 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ia7 h ALA 250 Cb 0.11 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3ia7 h ALA 250 CO -0.03 0.51 0.31 0.00 0.00 0.00 0.00 179.25 180.04 3ia7 h ALA 252 N 1.15 0.52 -0.65 0.00 0.00 -0.85 -2.55 119.26 116.89 3ia7 h ALA 252 Ca 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3ia7 h ALA 252 Cb -0.03 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3ia7 h ALA 252 CO -0.03 -0.12 0.27 1.96 0.00 0.00 0.00 179.25 181.32 3ia7 h GLN 253 N 0.45 0.96 -0.73 0.00 4.20 -0.89 -1.71 115.11 117.40 3ia7 h GLN 253 Ca 0.17 -0.17 0.05 0.00 0.06 0.00 0.00 58.65 58.76 3ia7 h GLN 253 Cb 0.05 -0.16 -0.05 0.00 0.30 0.00 0.00 27.48 27.62 3ia7 h GLN 253 CO -0.10 0.80 0.43 0.00 -0.67 0.00 0.00 178.83 179.29 3ia7 h ALA 254 N 1.11 0.97 -0.02 3.87 0.00 -0.71 -3.15 119.26 121.34 3ia7 h ALA 254 Ca 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3ia7 h ALA 254 Cb 0.19 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3ia7 h ALA 254 CO -0.02 0.15 -0.24 1.19 0.00 0.00 0.00 179.25 180.34 3ia7 n PHE 255 N -4.71 0.00 -1.70 0.00 3.72 -0.99 -4.80 117.46 108.97 3ia7 n PHE 255 Ca 0.09 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.06 3ia7 n PHE 255 Cb 0.15 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.67 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 0.47 1.53 -1.18 4.37 0.00 -0.65 -1.98 120.51 123.07 3ia7 n ALA 256 Ca 0.10 0.38 -0.06 0.00 0.00 0.00 0.00 53.44 53.85 3ia7 n ALA 256 Cb 0.46 -2.31 -0.03 0.00 0.00 0.00 0.00 19.45 17.57 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 1.45 -4.70 -4.89 0.00 8.00 -1.26 -5.01 116.55 110.13 3ia7 n ASP 257 Ca 0.07 0.16 -0.20 0.00 0.71 0.00 0.00 54.79 55.53 3ia7 n ASP 257 Cb 0.35 -2.75 -0.03 0.00 -0.02 0.00 0.00 41.12 38.67 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 -1.92 3.12 -1.08 -3.53 -4.23 -0.84 -5.01 115.64 102.15 3ia7 s THR 258 Ca 0.00 -1.28 0.13 0.00 -1.18 0.00 0.00 61.69 59.36 3ia7 s THR 258 Cb 0.00 -3.10 0.13 0.00 1.34 0.00 0.00 72.50 70.88 3ia7 s THR 258 CO 0.00 -0.07 1.41 -2.65 -0.54 0.00 0.00 174.62 172.76 3ia7 n PRO 259 N -1.53 0.04 -2.09 3.99 -0.02 -1.26 -4.87 135.00 129.25 3ia7 n PRO 259 Ca 0.02 0.25 -0.36 0.00 -2.02 0.00 0.00 63.50 61.39 3ia7 n PRO 259 Cb 0.60 -1.50 0.02 0.00 -0.02 0.00 0.00 33.50 32.61 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 -2.92 2.48 -0.18 6.00 0.52 -1.26 -4.20 118.94 119.39 3ia7 s TRP 260 Ca 0.08 1.52 -0.03 0.00 0.02 0.00 0.00 56.10 57.69 3ia7 s TRP 260 Cb 0.09 -3.43 -0.02 0.00 -1.15 0.00 0.00 33.47 28.96 3ia7 s TRP 260 CO 0.23 -2.02 -0.05 -1.58 0.02 0.00 0.00 176.95 173.55 3ia7 s HIS 261 N -1.64 2.95 -0.12 -1.98 2.46 0.17 -4.83 115.29 112.31 3ia7 s HIS 261 Ca 0.76 -0.62 0.01 0.00 0.47 0.00 0.00 55.06 55.68 3ia7 s HIS 261 Cb -0.29 -2.00 -0.01 0.00 -0.13 0.00 0.00 32.58 30.15 3ia7 s HIS 261 CO 0.31 -0.28 -0.14 0.08 -2.47 0.00 0.00 174.74 172.24 3ia7 s VAL 262 N 0.84 2.95 0.47 0.89 1.01 0.33 -0.87 120.40 126.01 3ia7 s VAL 262 Ca -0.02 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.27 3ia7 s VAL 262 Cb -0.15 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 34.02 3ia7 s VAL 262 CO 0.01 0.53 0.10 0.52 0.00 0.00 0.00 175.10 176.27 3ia7 n VAL 263 N 3.43 0.00 -3.31 2.92 0.31 -0.30 -0.55 118.33 120.82 3ia7 n VAL 263 Ca -0.18 -2.10 0.03 0.00 -0.01 0.00 0.00 64.34 62.07 3ia7 n VAL 263 Cb 0.53 0.29 -0.02 0.00 -0.91 0.00 0.00 33.84 33.73 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 -2.76 -2.42 -1.97 3.52 0.00 0.97 -0.48 121.76 118.61 3ia7 s ALA 265 Ca 0.07 1.95 0.22 0.00 0.00 0.00 0.00 51.96 54.21 3ia7 s ALA 265 Cb -0.01 -2.10 -0.03 0.00 0.00 0.00 0.00 23.12 20.99 3ia7 s ALA 265 CO 0.05 -1.20 1.08 0.44 0.00 0.00 0.00 175.76 176.12 3ia7 n ILE 266 N 5.39 0.00 0.00 0.00 -5.35 0.48 -3.98 119.36 115.90 3ia7 n ILE 266 Ca -0.06 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.18 3ia7 n ILE 266 Cb 0.51 1.24 0.00 0.00 -1.74 0.00 0.00 39.64 39.65 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 1.43 -1.00 0.21 3.28 0.00 -0.67 -4.42 105.19 104.03 3ia7 n GLY 267 Ca 0.09 -1.65 0.11 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.13 -0.52 0.09 -0.02 0.00 -1.26 -3.82 105.19 98.54 3ia7 n GLY 268 Ca 0.00 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.39 0.00 -3.16 1.61 3.72 -1.26 -4.99 117.46 112.99 3ia7 n PHE 269 Ca 0.16 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.17 3ia7 n PHE 269 Cb 0.18 -0.84 -0.05 0.00 -0.94 0.00 0.00 39.48 37.83 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 -5.70 4.43 -0.23 4.37 2.96 -1.25 -5.04 118.68 118.22 3ia7 s LEU 270 Ca -0.18 1.22 -0.25 0.00 -0.22 0.00 0.00 54.13 54.71 3ia7 s LEU 270 Cb 0.06 -2.99 -0.01 0.00 0.50 0.00 0.00 46.19 43.76 3ia7 s LEU 270 CO 0.61 0.09 0.82 -0.62 -1.32 0.00 0.00 176.35 175.93 3ia7 s ASP 271 N -0.18 6.85 0.49 3.68 -1.08 -1.26 -4.84 116.67 120.33 3ia7 s ASP 271 Ca 0.32 1.06 0.21 0.00 -0.52 0.00 0.00 52.55 53.62 3ia7 s ASP 271 Cb -0.19 -2.44 1.25 0.00 -1.46 0.00 0.00 42.92 40.08 3ia7 s ASP 271 CO 0.18 -0.48 1.97 -0.65 0.52 0.00 0.00 175.17 176.71 3ia7 h PRO 272 N 7.60 0.17 -0.95 4.34 0.11 -1.94 -1.35 132.00 139.98 3ia7 h PRO 272 Ca -0.25 -0.01 0.18 0.00 0.11 0.00 0.00 66.00 66.03 3ia7 h PRO 272 Cb 1.10 -0.04 -0.10 0.00 0.11 0.00 0.00 31.00 32.07 3ia7 h PRO 272 CO 0.86 0.11 0.55 0.00 -0.21 0.00 0.00 178.00 179.32 3ia7 h ALA 273 N 1.70 1.53 -1.29 -0.75 0.00 -1.92 -1.97 119.26 116.56 3ia7 h ALA 273 Ca 0.29 0.08 0.37 0.00 0.00 0.00 0.00 54.91 55.66 3ia7 h ALA 273 Cb 0.91 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 3ia7 h ALA 273 CO -0.05 -0.06 0.93 0.28 0.00 0.00 0.00 179.25 180.34 3ia7 h VAL 274 N 0.71 0.35 0.00 0.00 2.07 -1.65 -0.92 116.25 116.82 3ia7 h VAL 274 Ca 0.54 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.06 3ia7 h VAL 274 Cb 0.82 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3ia7 h VAL 274 CO -0.38 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.39 3ia7 n LEU 275 N -4.16 0.00 -0.34 2.57 4.77 -0.74 -5.04 117.00 114.06 3ia7 n LEU 275 Ca 0.28 0.40 0.05 0.00 -0.03 0.00 0.00 56.01 56.70 3ia7 n LEU 275 Cb 1.34 -0.40 -0.01 0.00 -2.33 0.00 0.00 43.42 42.02 3ia7 n LEU 275 CO 0.41 -0.03 -0.07 0.61 -1.33 0.00 0.00 177.39 176.98 3ia7 n GLY 276 N 1.17 -1.48 3.57 -0.72 0.00 -0.35 -4.85 105.19 102.53 3ia7 n GLY 276 Ca 0.10 -1.44 -0.45 0.00 0.00 0.00 0.00 46.02 44.22 3ia7 n GLY 276 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ia7 n PRO 277 N -1.87 1.20 -4.21 1.61 -0.04 -1.26 -4.96 135.00 125.47 3ia7 n PRO 277 Ca 0.00 0.42 -0.30 0.00 -0.04 0.00 0.00 63.50 63.59 3ia7 n PRO 277 Cb 0.16 -1.76 -0.10 0.00 -0.04 0.00 0.00 33.50 31.77 3ia7 n PRO 277 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ia7 s LEU 278 N 0.73 3.11 0.98 1.53 1.43 -1.26 -5.11 118.68 120.08 3ia7 s LEU 278 Ca 0.60 -0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 53.22 3ia7 s LEU 278 Cb -0.73 -1.89 0.18 0.00 0.03 0.00 0.00 46.19 43.78 3ia7 s LEU 278 CO 0.59 0.17 1.08 -2.16 0.23 0.00 0.00 176.35 176.27 3ia7 s PRO 279 N -2.25 0.56 0.30 1.29 0.04 -1.26 -4.91 135.00 128.76 3ia7 s PRO 279 Ca 0.22 0.73 0.26 0.00 0.04 0.00 0.00 61.00 62.25 3ia7 s PRO 279 Cb -0.11 -1.73 0.97 0.00 0.04 0.00 0.00 34.50 33.66 3ia7 s PRO 279 CO 0.15 -2.70 1.76 -1.35 0.04 0.00 0.00 177.00 174.90 3ia7 h PRO 280 N -1.88 0.00 -0.65 0.56 0.11 -2.00 -2.65 132.00 125.49 3ia7 h PRO 280 Ca -0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3ia7 h PRO 280 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3ia7 h PRO 280 CO 0.55 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.61 3ia7 n ASN 281 N -2.41 3.92 -4.01 -2.05 6.94 -1.26 -4.86 115.26 111.53 3ia7 n ASN 281 Ca 0.03 -2.19 -0.26 0.00 -0.02 0.00 0.00 54.58 52.14 3ia7 n ASN 281 Cb 0.30 -0.49 -0.17 0.00 -2.36 0.00 0.00 39.78 37.06 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 -1.45 1.18 0.05 3.53 1.01 -1.00 -0.51 120.40 123.21 3ia7 s VAL 282 Ca 0.45 -0.48 0.08 0.00 0.00 0.00 0.00 61.98 62.03 3ia7 s VAL 282 Cb 0.26 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 3ia7 s VAL 282 CO 0.26 0.37 -0.21 -1.83 0.00 0.00 0.00 175.10 173.70 3ia7 s GLU 283 N 0.90 1.37 -0.02 2.72 -1.05 0.29 -4.62 118.70 118.28 3ia7 s GLU 283 Ca -0.10 -0.98 0.05 0.00 -0.15 0.00 0.00 54.97 53.79 3ia7 s GLU 283 Cb -0.15 -1.51 -0.01 0.00 -0.44 0.00 0.00 34.13 32.01 3ia7 s GLU 283 CO 0.01 0.38 -0.17 0.00 0.95 0.00 0.00 175.26 176.43 3ia7 s ALA 284 N -0.85 1.46 -0.07 -0.84 0.00 -1.26 -4.28 121.76 115.92 3ia7 s ALA 284 Ca 0.08 -0.72 -0.09 0.00 0.00 0.00 0.00 51.96 51.23 3ia7 s ALA 284 Cb -0.09 -0.41 0.02 0.00 0.00 0.00 0.00 23.12 22.64 3ia7 s ALA 284 CO 0.02 0.32 0.22 -1.01 0.00 0.00 0.00 175.76 175.32 3ia7 s HIS 285 N -0.24 -0.20 0.12 0.00 3.76 -1.26 -4.99 115.29 112.48 3ia7 s HIS 285 Ca 0.03 0.46 -0.19 0.00 -0.15 0.00 0.00 55.06 55.22 3ia7 s HIS 285 Cb -0.08 0.07 -0.05 0.00 1.11 0.00 0.00 32.58 33.62 3ia7 s HIS 285 CO 0.00 -0.17 1.74 1.96 -0.85 0.00 0.00 174.74 177.42 3ia7 h GLN 286 N 5.36 0.35 -5.51 1.40 4.20 -1.89 0.14 115.11 119.16 3ia7 h GLN 286 Ca -0.27 -0.03 -0.59 0.00 0.06 0.00 0.00 58.65 57.81 3ia7 h GLN 286 Cb 1.19 -0.07 -0.31 0.00 0.30 0.00 0.00 27.48 28.59 3ia7 h GLN 286 CO 0.37 0.29 -0.85 -1.58 -0.67 0.00 0.00 178.83 176.39 3ia7 s TRP 287 N -5.96 1.88 0.06 2.96 0.52 -1.26 -1.67 118.94 115.47 3ia7 s TRP 287 Ca -0.13 -0.53 0.03 0.00 0.02 0.00 0.00 56.10 55.49 3ia7 s TRP 287 Cb 0.09 -1.26 -0.03 0.00 -1.15 0.00 0.00 33.47 31.12 3ia7 s TRP 287 CO 0.71 -0.17 -0.10 0.96 0.02 0.00 0.00 176.95 178.37 3ia7 s ILE 288 N -0.05 0.73 -0.61 2.03 -4.36 -1.26 -5.05 121.20 112.63 3ia7 s ILE 288 Ca -0.03 -1.23 -0.28 0.00 -0.26 0.00 0.00 60.65 58.85 3ia7 s ILE 288 Cb -0.12 -0.85 0.03 0.00 1.25 0.00 0.00 42.46 42.77 3ia7 s ILE 288 CO 0.02 -0.39 1.24 -2.16 0.24 0.00 0.00 174.94 173.90 3ia7 s PRO 289 N -1.85 3.42 0.17 0.37 0.04 -1.26 -4.88 135.00 131.00 3ia7 s PRO 289 Ca -0.05 0.18 -0.15 0.00 0.04 0.00 0.00 61.00 61.02 3ia7 s PRO 289 Cb -0.09 -4.06 0.10 0.00 0.04 0.00 0.00 34.50 30.50 3ia7 s PRO 289 CO 0.01 -1.81 1.74 0.74 0.04 0.00 0.00 177.00 177.72 3ia7 h PHE 290 N 9.84 0.21 -0.80 0.56 0.05 -2.00 -2.59 116.94 122.22 3ia7 h PHE 290 Ca -0.26 0.02 -0.04 0.00 3.82 0.00 0.00 57.97 61.52 3ia7 h PHE 290 Cb 1.06 -0.03 -0.04 0.00 2.00 0.00 0.00 35.95 38.94 3ia7 h PHE 290 CO 1.06 0.06 0.36 1.12 -0.18 0.00 0.00 178.31 180.73 3ia7 h HIS 291 N 0.27 1.17 -0.49 -0.55 2.07 -1.96 0.15 115.15 115.81 3ia7 h HIS 291 Ca 0.19 -0.07 -0.05 0.00 -2.85 0.00 0.00 60.37 57.59 3ia7 h HIS 291 Cb 0.20 -0.36 -0.02 0.00 2.57 0.00 0.00 27.41 29.80 3ia7 h HIS 291 CO -0.17 0.86 0.09 0.66 -3.07 0.00 0.00 177.93 176.30 3ia7 h SER 292 N 1.14 0.70 -0.03 3.10 4.64 -1.83 0.14 113.55 121.42 3ia7 h SER 292 Ca 0.27 -0.13 -0.09 0.00 -0.47 0.00 0.00 61.79 61.37 3ia7 h SER 292 Cb 0.15 -0.18 0.01 0.00 -0.31 0.00 0.00 62.40 62.06 3ia7 h SER 292 CO -0.03 0.71 -0.35 0.58 -0.87 0.00 0.00 176.83 176.87 3ia7 h VAL 293 N 0.72 1.47 -0.58 0.95 2.07 -1.25 -3.25 116.25 116.39 3ia7 h VAL 293 Ca 0.16 -1.88 0.00 0.00 0.82 0.00 0.00 66.70 65.80 3ia7 h VAL 293 Cb 0.31 2.55 -0.03 0.00 -1.52 0.00 0.00 31.29 32.60 3ia7 h VAL 293 CO 0.00 0.53 0.37 -0.07 0.02 0.00 0.00 177.57 178.42 3ia7 h LEU 294 N -0.28 0.67 -1.95 2.57 3.38 -0.52 -0.19 115.31 118.98 3ia7 h LEU 294 Ca -0.04 -0.02 0.17 0.00 0.09 0.00 0.00 57.88 58.08 3ia7 h LEU 294 Cb 1.05 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 3ia7 h LEU 294 CO 0.07 0.50 0.43 0.00 0.09 0.00 0.00 178.44 179.53 3ia7 h ALA 295 N 1.62 2.51 -0.01 1.53 0.00 -0.76 -2.03 119.26 122.13 3ia7 h ALA 295 Ca 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3ia7 h ALA 295 Cb -0.07 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3ia7 h ALA 295 CO -0.04 -0.68 -0.59 0.72 0.00 0.00 0.00 179.25 178.66 3ia7 n HIS 296 N -4.37 0.00 -2.67 0.00 8.25 -0.15 -5.03 115.22 111.24 3ia7 n HIS 296 Ca 0.11 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.17 3ia7 n HIS 296 Cb 0.65 -0.01 -0.05 0.00 1.12 0.00 0.00 29.99 31.70 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 -2.61 3.35 -0.19 -1.41 0.00 -0.76 -4.27 121.76 115.86 3ia7 s ALA 297 Ca 0.16 0.69 0.20 0.00 0.00 0.00 0.00 51.96 53.01 3ia7 s ALA 297 Cb 0.18 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 3ia7 s ALA 297 CO 0.64 0.08 1.01 -0.09 0.00 0.00 0.00 175.76 177.39 3ia7 h ARG 298 N 4.28 0.00 -3.28 0.00 2.43 -0.94 -3.45 114.38 113.42 3ia7 h ARG 298 Ca -0.45 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.71 3ia7 h ARG 298 Cb 1.20 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.67 3ia7 h ARG 298 CO 0.68 0.15 0.06 0.00 -1.51 0.00 0.00 179.97 179.35 3ia7 s ALA 299 N -3.15 -0.92 -0.02 2.80 0.00 -1.17 -4.35 121.76 114.95 3ia7 s ALA 299 Ca -0.01 -0.32 0.01 0.00 0.00 0.00 0.00 51.96 51.64 3ia7 s ALA 299 Cb 0.09 0.89 0.01 0.00 0.00 0.00 0.00 23.12 24.11 3ia7 s ALA 299 CO 0.79 -0.87 -0.02 0.00 0.00 0.00 0.00 175.76 175.66 3ia7 s LEU 301 N 0.45 3.57 0.21 0.00 2.96 0.47 -1.04 118.68 125.30 3ia7 s LEU 301 Ca -0.05 -0.46 -0.13 0.00 -0.22 0.00 0.00 54.13 53.27 3ia7 s LEU 301 Cb -0.08 -1.88 0.01 0.00 0.50 0.00 0.00 46.19 44.74 3ia7 s LEU 301 CO -0.01 -0.11 0.45 0.28 -1.32 0.00 0.00 176.35 175.64 3ia7 s THR 302 N 1.55 0.02 0.25 3.68 -1.32 -0.32 -1.84 115.64 117.66 3ia7 s THR 302 Ca 0.05 -1.20 -0.01 0.00 -1.21 0.00 0.00 61.69 59.32 3ia7 s THR 302 Cb -0.16 -1.91 0.05 0.00 -1.51 0.00 0.00 72.50 68.96 3ia7 s THR 302 CO 0.02 -0.11 1.67 1.12 -2.21 0.00 0.00 174.62 175.11 3ia7 h HIS 303 N 2.30 0.68 0.00 9.09 2.07 -1.77 0.26 115.15 127.79 3ia7 h HIS 303 Ca -0.28 -0.15 0.00 0.00 -2.85 0.00 0.00 60.37 57.09 3ia7 h HIS 303 Cb 1.25 -0.16 0.00 0.00 2.57 0.00 0.00 27.41 31.06 3ia7 h HIS 303 CO 0.38 0.80 0.00 0.41 -3.07 0.00 0.00 177.93 176.46 3ia7 n GLY 304 N -0.29 1.24 3.67 6.13 0.00 -1.26 -3.32 105.19 111.36 3ia7 n GLY 304 Ca -0.00 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 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 2.39 0.14 2.61 -4.23 -1.26 -3.58 115.64 109.71 3ia7 s THR 305 Ca 0.00 0.13 -0.21 0.00 -1.18 0.00 0.00 61.69 60.42 3ia7 s THR 305 Cb 0.00 -2.31 -0.00 0.00 1.34 0.00 0.00 72.50 71.52 3ia7 s THR 305 CO 0.00 -0.17 1.67 0.74 -0.54 0.00 0.00 174.62 176.33 3ia7 h THR 306 N -1.81 0.62 -0.14 3.99 2.02 -1.91 -0.99 112.91 114.68 3ia7 h THR 306 Ca -0.47 0.00 0.05 0.00 0.77 0.00 0.00 66.41 66.76 3ia7 h THR 306 Cb 1.27 0.62 -0.06 0.00 -1.74 0.00 0.00 68.15 68.24 3ia7 h THR 306 CO 0.47 0.00 -0.30 1.23 0.37 0.00 0.00 175.52 177.29 3ia7 h GLY 307 N -0.14 -0.38 0.85 2.16 0.00 -1.92 -0.92 103.07 102.72 3ia7 h GLY 307 Ca 0.11 0.37 0.03 0.00 0.00 0.00 0.00 47.33 47.84 3ia7 h GLY 307 CO -0.26 -0.22 0.38 0.00 0.00 0.00 0.00 176.54 176.44 3ia7 h ALA 308 N 0.49 0.82 -0.20 3.60 0.00 -1.84 -2.12 119.26 120.01 3ia7 h ALA 308 Ca 0.10 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3ia7 h ALA 308 Cb 0.52 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3ia7 h ALA 308 CO -0.35 0.12 -0.09 0.28 0.00 0.00 0.00 179.25 179.21 3ia7 h VAL 309 N 0.75 1.31 -0.17 0.00 2.07 -0.87 -2.69 116.25 116.64 3ia7 h VAL 309 Ca 0.26 -1.15 -0.06 0.00 0.82 0.00 0.00 66.70 66.57 3ia7 h VAL 309 Cb 0.04 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 3ia7 h VAL 309 CO -0.11 0.35 -0.16 -0.07 0.02 0.00 0.00 177.57 177.60 3ia7 h LEU 310 N 0.11 0.27 -0.72 2.57 3.38 -1.11 -1.26 115.31 118.54 3ia7 h LEU 310 Ca 0.04 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 3ia7 h LEU 310 Cb 0.58 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 3ia7 h LEU 310 CO 0.03 0.46 0.17 -0.33 0.09 0.00 0.00 178.44 178.86 3ia7 h GLU 311 N 0.27 1.15 -0.06 1.13 4.39 -1.28 0.18 114.58 120.35 3ia7 h GLU 311 Ca 0.05 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.46 3ia7 h GLU 311 Cb 0.44 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.94 3ia7 h GLU 311 CO 0.03 1.01 -0.02 0.00 -1.16 0.00 0.00 179.01 178.86 3ia7 h ALA 312 N 1.09 0.08 -0.17 3.43 0.00 -1.13 -3.09 119.26 119.47 3ia7 h ALA 312 Ca 0.23 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3ia7 h ALA 312 Cb 0.38 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3ia7 h ALA 312 CO 0.00 -0.19 -0.07 0.74 0.00 0.00 0.00 179.25 179.73 3ia7 h PHE 313 N -0.24 0.27 -0.11 0.00 0.04 -1.12 -0.74 116.94 115.03 3ia7 h PHE 313 Ca 0.01 -0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.79 3ia7 h PHE 313 Cb 0.43 -0.08 -0.00 0.00 2.20 0.00 0.00 35.95 38.50 3ia7 h PHE 313 CO 0.06 0.34 0.10 0.00 -0.60 0.00 0.00 178.31 178.21 3ia7 h ALA 314 N 1.68 1.91 -0.52 2.45 0.00 -0.57 -0.85 119.26 123.36 3ia7 h ALA 314 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ia7 h ALA 314 Cb 0.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3ia7 h ALA 314 CO 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.11 3ia7 n ALA 315 N -2.45 2.40 -2.74 0.00 0.00 -0.77 -4.90 120.51 112.05 3ia7 n ALA 315 Ca -0.00 -1.11 -0.16 0.00 0.00 0.00 0.00 53.44 52.16 3ia7 n ALA 315 Cb 0.21 -0.88 0.02 0.00 0.00 0.00 0.00 19.45 18.80 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 1.55 -0.20 3.43 0.00 0.00 -0.33 -4.85 105.19 104.78 3ia7 n GLY 316 Ca 0.21 -0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.97 4.04 0.71 1.61 1.01 -0.35 -4.73 120.40 119.71 3ia7 s VAL 317 Ca 0.19 -0.27 -0.11 0.00 0.00 0.00 0.00 61.98 61.79 3ia7 s VAL 317 Cb -0.08 -2.86 0.02 0.00 0.00 0.00 0.00 36.38 33.46 3ia7 s VAL 317 CO 0.24 0.38 1.07 -2.16 0.00 0.00 0.00 175.10 174.64 3ia7 s PRO 318 N 1.37 2.71 0.04 2.72 0.04 -1.26 -4.07 135.00 136.55 3ia7 s PRO 318 Ca 0.05 1.08 0.07 0.00 0.04 0.00 0.00 61.00 62.24 3ia7 s PRO 318 Cb -0.15 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 3ia7 s PRO 318 CO 0.02 -1.28 -0.19 -0.51 0.04 0.00 0.00 177.00 175.07 3ia7 s LEU 319 N -5.56 2.53 -0.17 -3.56 1.43 -1.18 -1.77 118.68 110.41 3ia7 s LEU 319 Ca 0.60 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 3ia7 s LEU 319 Cb -0.16 -1.48 0.00 0.00 0.03 0.00 0.00 46.19 44.59 3ia7 s LEU 319 CO 0.53 0.26 -0.16 -0.69 0.23 0.00 0.00 176.35 176.52 3ia7 s VAL 320 N -0.91 2.53 -0.00 -1.59 1.01 -0.21 -0.69 120.40 120.54 3ia7 s VAL 320 Ca 0.14 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 3ia7 s VAL 320 Cb -0.10 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 3ia7 s VAL 320 CO 0.05 0.51 0.11 -0.76 0.00 0.00 0.00 175.10 175.01 3ia7 s LEU 321 N 1.03 4.03 -0.54 3.92 1.43 0.19 -1.17 118.68 127.56 3ia7 s LEU 321 Ca -0.01 0.20 0.07 0.00 -1.03 0.00 0.00 54.13 53.35 3ia7 s LEU 321 Cb -0.15 -2.38 0.24 0.00 0.03 0.00 0.00 46.19 43.94 3ia7 s LEU 321 CO -0.04 0.27 0.62 1.33 0.23 0.00 0.00 176.35 178.76 3ia7 n VAL 322 N 1.09 0.98 0.54 -1.59 0.24 0.91 -0.11 118.33 120.39 3ia7 n VAL 322 Ca -0.12 -4.65 0.06 0.00 -2.04 0.00 0.00 64.34 57.60 3ia7 n VAL 322 Cb 0.53 -2.03 0.31 0.00 -1.47 0.00 0.00 33.84 31.17 3ia7 n VAL 322 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 3ia7 n PRO 323 N 1.27 0.10 0.26 7.34 -0.04 -1.21 -2.48 135.00 140.24 3ia7 n PRO 323 Ca 0.26 0.21 0.14 0.00 -0.04 0.00 0.00 63.50 64.08 3ia7 n PRO 323 Cb 0.45 -1.50 0.62 0.00 -0.04 0.00 0.00 33.50 33.03 3ia7 n PRO 323 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 3ia7 h HIS 324 N 0.00 0.00 0.00 0.54 2.07 -1.88 -2.80 115.15 113.07 3ia7 h HIS 324 Ca 0.00 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.49 3ia7 h HIS 324 Cb 0.17 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.14 3ia7 h HIS 324 CO 0.00 0.10 -0.13 0.74 -3.07 0.00 0.00 177.93 175.57 3ia7 h PHE 325 N 0.00 0.00 -3.19 6.12 0.04 -1.83 -3.43 116.94 114.66 3ia7 h PHE 325 Ca -0.00 0.00 -0.55 0.00 2.80 0.00 0.00 57.97 60.22 3ia7 h PHE 325 Cb 0.57 0.00 -0.36 0.00 2.20 0.00 0.00 35.95 38.35 3ia7 h PHE 325 CO 0.00 0.13 -0.81 0.00 -0.60 0.00 0.00 178.31 177.03 3ia7 s ALA 326 N -3.64 1.47 0.25 2.45 0.00 -1.06 -5.04 121.76 116.19 3ia7 s ALA 326 Ca 0.01 -0.64 -0.02 0.00 0.00 0.00 0.00 51.96 51.32 3ia7 s ALA 326 Cb 0.10 -0.92 0.31 0.00 0.00 0.00 0.00 23.12 22.61 3ia7 s ALA 326 CO 0.60 -0.35 1.72 1.79 0.00 0.00 0.00 175.76 179.52 3ia7 h THR 327 N 6.12 1.25 0.00 0.00 1.35 -1.85 -2.43 112.91 117.35 3ia7 h THR 327 Ca -0.32 -1.12 -0.00 0.00 -0.55 0.00 0.00 66.41 64.41 3ia7 h THR 327 Cb 1.14 1.03 -0.00 0.00 -1.73 0.00 0.00 68.15 68.59 3ia7 h THR 327 CO 0.45 0.38 -0.02 -0.08 -0.25 0.00 0.00 175.52 176.00 3ia7 h GLU 328 N 0.67 0.00 0.00 4.72 4.22 -1.96 -3.31 114.58 118.92 3ia7 h GLU 328 Ca 0.12 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.55 3ia7 h GLU 328 Cb 0.55 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 3ia7 h GLU 328 CO 0.03 0.02 -0.02 0.00 -2.18 0.00 0.00 179.01 176.86 3ia7 h ALA 329 N 1.98 1.03 -0.17 2.92 0.00 -1.70 -3.36 119.26 119.97 3ia7 h ALA 329 Ca -0.00 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.92 3ia7 h ALA 329 Cb 0.54 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 3ia7 h ALA 329 CO 0.00 0.03 -0.53 0.00 0.00 0.00 0.00 179.25 178.74 3ia7 h ALA 330 N 1.98 -0.87 -0.96 0.00 0.00 -1.74 0.30 119.26 117.97 3ia7 h ALA 330 Ca -0.00 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.87 3ia7 h ALA 330 Cb 0.33 1.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.09 3ia7 h ALA 330 CO 0.00 -1.07 0.64 -1.35 0.00 0.00 0.00 179.25 177.47 3ia7 h PRO 331 N -0.54 1.27 -0.09 0.00 0.11 -1.91 -0.01 132.00 130.83 3ia7 h PRO 331 Ca 0.04 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 3ia7 h PRO 331 Cb 0.65 -0.29 -0.00 0.00 0.11 0.00 0.00 31.00 31.47 3ia7 h PRO 331 CO -0.45 0.84 0.01 1.03 -0.21 0.00 0.00 178.00 179.22 3ia7 h SER 332 N 1.31 0.15 -0.38 -2.05 0.87 -1.71 -1.52 113.55 110.22 3ia7 h SER 332 Ca 0.35 -0.29 0.05 0.00 -1.23 0.00 0.00 61.79 60.67 3ia7 h SER 332 Cb -0.15 -0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 61.73 3ia7 h SER 332 CO -0.08 0.40 0.11 0.00 -0.53 0.00 0.00 176.83 176.73 3ia7 h ALA 333 N 0.75 0.43 -0.75 6.23 0.00 -0.25 -1.43 119.26 124.25 3ia7 h ALA 333 Ca 0.03 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.06 3ia7 h ALA 333 Cb 0.32 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 3ia7 h ALA 333 CO 0.00 -0.29 0.44 0.93 0.00 0.00 0.00 179.25 180.33 3ia7 h GLU 334 N 0.25 0.77 -0.55 0.00 5.08 -0.93 -1.91 114.58 117.29 3ia7 h GLU 334 Ca 0.18 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.39 3ia7 h GLU 334 Cb 0.18 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3ia7 h GLU 334 CO -0.21 0.51 -0.04 -0.09 -1.00 0.00 0.00 179.01 178.19 3ia7 h ARG 335 N 0.80 1.00 -0.55 2.33 9.65 -0.81 0.39 114.38 127.18 3ia7 h ARG 335 Ca 0.33 -0.34 0.07 0.00 -1.10 0.00 0.00 59.98 58.94 3ia7 h ARG 335 Cb 0.19 -0.08 -0.06 0.00 -1.39 0.00 0.00 29.97 28.64 3ia7 h ARG 335 CO -0.18 1.02 0.24 0.28 2.80 0.00 0.00 179.97 184.13 3ia7 h VAL 336 N 0.88 0.87 -0.15 0.20 2.07 -0.82 -0.16 116.25 119.14 3ia7 h VAL 336 Ca 0.15 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 3ia7 h VAL 336 Cb 0.59 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3ia7 h VAL 336 CO 0.04 0.08 -0.05 0.40 0.02 0.00 0.00 177.57 178.06 3ia7 h ILE 337 N 0.46 1.30 -0.80 4.57 1.08 -1.19 -0.48 117.51 122.45 3ia7 h ILE 337 Ca 0.26 -1.03 0.10 0.00 -0.39 0.00 0.00 64.86 63.80 3ia7 h ILE 337 Cb 0.24 1.67 -0.08 0.00 -3.07 0.00 0.00 36.82 35.59 3ia7 h ILE 337 CO -0.23 0.30 0.44 -0.08 -0.69 0.00 0.00 178.15 177.89 3ia7 h GLU 338 N -0.01 0.69 -0.01 2.37 4.81 -0.65 -1.41 114.58 120.37 3ia7 h GLU 338 Ca 0.04 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3ia7 h GLU 338 Cb 0.49 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.72 3ia7 h GLU 338 CO 0.02 0.46 -0.04 1.28 -0.73 0.00 0.00 179.01 180.00 3ia7 n LEU 339 N -4.80 0.72 -3.30 1.64 4.77 -0.09 -4.94 117.00 111.00 3ia7 n LEU 339 Ca 0.14 -0.20 -0.22 0.00 -0.03 0.00 0.00 56.01 55.70 3ia7 n LEU 339 Cb 0.31 -0.05 0.07 0.00 -2.33 0.00 0.00 43.42 41.42 3ia7 n LEU 339 CO 0.25 0.12 0.22 0.61 -1.33 0.00 0.00 177.39 177.27 3ia7 n GLY 340 N 1.15 -0.40 0.90 -0.72 0.00 -0.53 -4.93 105.19 100.65 3ia7 n GLY 340 Ca 0.19 0.17 0.10 0.00 0.00 0.00 0.00 46.02 46.49 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 -4.57 2.90 0.00 0.99 4.77 -0.24 -4.49 117.00 116.36 3ia7 n LEU 341 Ca 0.00 -1.16 0.00 0.00 -0.03 0.00 0.00 56.01 54.82 3ia7 n LEU 341 Cb 0.56 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3ia7 n LEU 341 CO 0.59 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.80 3ia7 n GLY 342 N 1.21 -1.16 3.43 -0.72 0.00 -1.25 -3.11 105.19 103.60 3ia7 n GLY 342 Ca 0.14 -0.93 -0.21 0.00 0.00 0.00 0.00 46.02 45.02 3ia7 n GLY 342 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ia7 s SER 343 N -1.68 2.15 -0.01 1.61 1.04 0.13 -4.61 113.70 112.33 3ia7 s SER 343 Ca 0.00 -1.43 0.05 0.00 0.48 0.00 0.00 55.95 55.05 3ia7 s SER 343 Cb 0.00 0.07 -0.01 0.00 0.10 0.00 0.00 66.02 66.18 3ia7 s SER 343 CO 0.00 -0.69 -0.17 0.54 0.98 0.00 0.00 173.24 173.90 3ia7 s VAL 344 N -3.40 1.34 -0.23 5.02 0.11 -1.26 0.53 120.40 122.52 3ia7 s VAL 344 Ca 0.35 -0.75 -0.07 0.00 -2.93 0.00 0.00 61.98 58.58 3ia7 s VAL 344 Cb 0.08 -1.12 -0.03 0.00 -1.53 0.00 0.00 36.38 33.77 3ia7 s VAL 344 CO 0.15 0.36 0.05 -0.76 -3.33 0.00 0.00 175.10 171.57 3ia7 s LEU 345 N -0.46 3.48 0.61 2.54 1.43 0.84 -4.88 118.68 122.25 3ia7 s LEU 345 Ca 0.06 -0.15 -0.14 0.00 -1.03 0.00 0.00 54.13 52.87 3ia7 s LEU 345 Cb -0.07 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 3ia7 s LEU 345 CO -0.00 0.03 1.05 -0.13 0.23 0.00 0.00 176.35 177.52 3ia7 s ARG 346 N 1.23 3.31 0.22 1.70 1.81 -1.26 -4.53 118.95 121.43 3ia7 s ARG 346 Ca 0.04 1.09 0.16 0.00 -1.72 0.00 0.00 55.73 55.30 3ia7 s ARG 346 Cb -0.14 -2.04 0.82 0.00 -0.45 0.00 0.00 34.95 33.13 3ia7 s ARG 346 CO 0.03 -0.81 1.48 -2.30 -0.68 0.00 0.00 175.30 173.02 3ia7 n PRO 347 N -2.28 0.10 -0.15 3.54 -0.02 -1.26 -0.59 135.00 134.34 3ia7 n PRO 347 Ca 0.08 0.57 0.10 0.00 -2.02 0.00 0.00 63.50 62.22 3ia7 n PRO 347 Cb 0.53 -1.81 0.28 0.00 -0.02 0.00 0.00 33.50 32.49 3ia7 n PRO 347 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3ia7 n ASP 348 N -2.02 2.26 -1.51 2.55 5.75 -1.26 -4.21 116.55 118.11 3ia7 n ASP 348 Ca -0.01 -1.86 -0.13 0.00 -0.01 0.00 0.00 54.79 52.78 3ia7 n ASP 348 Cb 0.05 -0.20 0.09 0.00 -1.03 0.00 0.00 41.12 40.03 3ia7 n ASP 348 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ia7 n GLN 349 N 0.72 2.84 -0.24 0.11 6.02 0.24 -4.75 117.38 122.31 3ia7 n GLN 349 Ca 0.16 -3.84 0.07 0.00 -0.01 0.00 0.00 57.00 53.39 3ia7 n GLN 349 Cb 0.40 -2.02 0.19 0.00 1.02 0.00 0.00 30.24 29.83 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 -0.85 3.22 -4.76 1.08 4.77 -1.26 -4.01 117.00 115.19 3ia7 n LEU 350 Ca 0.34 -2.12 -0.38 0.00 -0.03 0.00 0.00 56.01 53.82 3ia7 n LEU 350 Cb 0.87 -0.31 0.02 0.00 -2.33 0.00 0.00 43.42 41.67 3ia7 n LEU 350 CO 0.23 0.76 0.94 -1.83 -1.33 0.00 0.00 177.39 176.16 3ia7 s GLU 351 N -1.22 3.51 0.20 3.23 1.03 -1.26 -4.82 118.70 119.38 3ia7 s GLU 351 Ca 0.29 2.10 -0.14 0.00 0.03 0.00 0.00 54.97 57.25 3ia7 s GLU 351 Cb 0.17 -2.42 0.21 0.00 -0.80 0.00 0.00 34.13 31.29 3ia7 s GLU 351 CO 0.17 -0.85 1.63 -1.35 -1.33 0.00 0.00 175.26 173.53 3ia7 h PRO 352 N 1.91 -0.02 -0.56 -4.83 0.11 -1.93 -0.67 132.00 126.01 3ia7 h PRO 352 Ca -0.50 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.62 3ia7 h PRO 352 Cb 1.27 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.36 3ia7 h PRO 352 CO 0.59 -0.01 0.37 0.00 -0.21 0.00 0.00 178.00 178.74 3ia7 h ALA 353 N 1.56 1.65 -0.30 -0.75 0.00 -1.91 -0.50 119.26 119.00 3ia7 h ALA 353 Ca 0.29 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 3ia7 h ALA 353 Cb 0.45 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3ia7 h ALA 353 CO -0.63 0.31 -0.17 1.03 0.00 0.00 0.00 179.25 179.80 3ia7 h SER 354 N 0.71 0.67 -0.28 0.00 0.87 -1.46 -1.12 113.55 112.94 3ia7 h SER 354 Ca 0.21 -0.42 0.02 0.00 -1.23 0.00 0.00 61.79 60.38 3ia7 h SER 354 Cb -0.02 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.73 3ia7 h SER 354 CO -0.05 0.94 0.11 0.40 -0.53 0.00 0.00 176.83 177.71 3ia7 h ILE 355 N 0.40 0.95 -0.00 2.23 2.04 -0.85 -1.41 117.51 120.88 3ia7 h ILE 355 Ca 0.06 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.84 3ia7 h ILE 355 Cb 0.70 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 3ia7 h ILE 355 CO 0.05 0.05 -0.03 -0.09 0.00 0.00 0.00 178.15 178.13 3ia7 h ARG 356 N 0.25 -0.05 -0.48 2.37 2.43 -1.03 -1.48 114.38 116.40 3ia7 h ARG 356 Ca 0.12 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.35 3ia7 h ARG 356 Cb 0.07 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.58 3ia7 h ARG 356 CO -0.11 -0.03 0.20 1.49 -1.51 0.00 0.00 179.97 180.01 3ia7 h GLU 357 N -0.05 0.38 -0.50 0.20 4.81 -1.04 -0.74 114.58 117.65 3ia7 h GLU 357 Ca 0.01 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 3ia7 h GLU 357 Cb 0.06 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 3ia7 h GLU 357 CO -0.03 0.25 0.16 0.00 -0.73 0.00 0.00 179.01 178.66 3ia7 h ALA 358 N 1.30 0.65 -0.29 2.92 0.00 -1.05 -1.10 119.26 121.70 3ia7 h ALA 358 Ca 0.23 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3ia7 h ALA 358 Cb 0.20 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3ia7 h ALA 358 CO -0.20 0.30 -0.01 0.28 0.00 0.00 0.00 179.25 179.62 3ia7 h VAL 359 N 0.67 1.26 -0.54 0.00 2.07 -0.93 -1.47 116.25 117.31 3ia7 h VAL 359 Ca 0.16 -0.95 -0.04 0.00 0.82 0.00 0.00 66.70 66.69 3ia7 h VAL 359 Cb 0.27 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 3ia7 h VAL 359 CO -0.01 0.30 0.17 -0.33 0.02 0.00 0.00 177.57 177.73 3ia7 h GLU 360 N 0.30 0.83 -0.33 1.57 5.08 -0.99 -0.05 114.58 120.99 3ia7 h GLU 360 Ca 0.08 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3ia7 h GLU 360 Cb 0.44 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3ia7 h GLU 360 CO 0.02 0.76 0.22 -0.09 -1.00 0.00 0.00 179.01 178.91 3ia7 h ARG 361 N 0.74 0.44 -0.18 2.33 2.43 -1.13 -2.02 114.38 116.99 3ia7 h ARG 361 Ca 0.17 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 3ia7 h ARG 361 Cb 0.27 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 3ia7 h ARG 361 CO -0.01 0.29 0.05 1.25 -1.51 0.00 0.00 179.97 180.05 3ia7 h LEU 362 N 0.45 0.28 -2.06 3.80 5.85 -1.04 -2.63 115.31 119.96 3ia7 h LEU 362 Ca 0.12 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 3ia7 h LEU 362 Cb -0.05 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 3ia7 h LEU 362 CO -0.03 0.43 -0.03 0.00 -0.34 0.00 0.00 178.44 178.47 3ia7 h ALA 363 N 0.86 1.80 -0.02 1.25 0.00 -0.87 -1.50 119.26 120.78 3ia7 h ALA 363 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ia7 h ALA 363 Cb 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3ia7 h ALA 363 CO -0.00 0.04 -0.05 0.00 0.00 0.00 0.00 179.25 179.24 3ia7 n ALA 364 N -2.47 2.66 -2.70 0.00 0.00 -0.77 -4.82 120.51 112.42 3ia7 n ALA 364 Ca -0.03 -0.46 -0.43 0.00 0.00 0.00 0.00 53.44 52.52 3ia7 n ALA 364 Cb 0.12 -1.12 -0.04 0.00 0.00 0.00 0.00 19.45 18.40 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 -2.09 6.30 0.31 0.00 -1.08 -0.57 -4.90 116.67 114.65 3ia7 s ASP 365 Ca 0.35 -0.52 0.12 0.00 -0.52 0.00 0.00 52.55 51.98 3ia7 s ASP 365 Cb 0.21 -2.42 0.51 0.00 -1.46 0.00 0.00 42.92 39.75 3ia7 s ASP 365 CO 0.36 -1.24 1.70 0.77 0.52 0.00 0.00 175.17 177.29 3ia7 h SER 366 N 9.33 0.00 0.04 -0.34 4.64 -1.87 -1.83 113.55 123.51 3ia7 h SER 366 Ca -0.27 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3ia7 h SER 366 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3ia7 h SER 366 CO 1.09 0.52 -0.02 0.00 -0.87 0.00 0.00 176.83 177.55 3ia7 h ALA 367 N 1.48 -0.05 -0.74 5.18 0.00 -1.98 -1.14 119.26 122.02 3ia7 h ALA 367 Ca -0.01 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.90 3ia7 h ALA 367 Cb 0.92 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 3ia7 h ALA 367 CO 0.07 -0.50 0.47 0.28 0.00 0.00 0.00 179.25 179.56 3ia7 h VAL 368 N -0.11 1.11 -0.43 0.00 2.07 -1.76 -1.80 116.25 115.33 3ia7 h VAL 368 Ca -0.01 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 3ia7 h VAL 368 Cb 0.10 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.96 3ia7 h VAL 368 CO 0.01 0.17 0.24 -0.09 0.02 0.00 0.00 177.57 177.91 3ia7 h ARG 369 N 0.91 0.59 -0.54 1.57 2.43 -1.13 -0.79 114.38 117.43 3ia7 h ARG 369 Ca 0.29 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.32 3ia7 h ARG 369 Cb 0.01 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 3ia7 h ARG 369 CO -0.11 0.47 0.02 1.49 -1.51 0.00 0.00 179.97 180.33 3ia7 h GLU 370 N 0.56 0.90 -0.67 0.20 4.57 -1.02 -0.31 114.58 118.81 3ia7 h GLU 370 Ca 0.15 -0.25 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 3ia7 h GLU 370 Cb 0.04 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.50 3ia7 h GLU 370 CO -0.03 0.89 0.43 0.00 -1.18 0.00 0.00 179.01 179.12 3ia7 h ARG 371 N 0.84 0.90 -0.48 1.92 3.08 -0.82 -1.51 114.38 118.31 3ia7 h ARG 371 Ca 0.16 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 60.03 3ia7 h ARG 371 Cb 0.47 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 3ia7 h ARG 371 CO 0.02 0.61 -0.17 0.28 -1.07 0.00 0.00 179.97 179.64 3ia7 h VAL 372 N 0.91 1.27 -0.40 2.04 2.07 -0.91 -2.81 116.25 118.42 3ia7 h VAL 372 Ca 0.24 -1.31 -0.09 0.00 0.82 0.00 0.00 66.70 66.37 3ia7 h VAL 372 Cb -0.07 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3ia7 h VAL 372 CO -0.05 0.45 -0.10 0.03 0.02 0.00 0.00 177.57 177.92 3ia7 h ARG 373 N 0.82 0.70 -1.74 1.57 3.08 -0.82 0.11 114.38 118.09 3ia7 h ARG 373 Ca 0.12 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.95 3ia7 h ARG 373 Cb 0.72 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.70 3ia7 h ARG 373 CO 0.06 0.79 0.00 2.89 -1.07 0.00 0.00 179.97 182.63 3ia7 n ARG 374 N -4.18 0.29 0.00 0.04 1.85 -0.59 -1.77 116.66 112.30 3ia7 n ARG 374 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.86 3ia7 n ARG 374 Cb 0.35 -1.36 0.00 0.00 -1.05 0.00 0.00 32.46 30.40 3ia7 n ARG 374 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 3ia7 n GLN 376 N 0.96 0.00 -0.08 2.89 7.27 0.37 -1.19 117.38 127.60 3ia7 n GLN 376 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 57.00 57.00 3ia7 n GLN 376 Cb 0.14 0.00 -0.00 0.00 2.41 0.00 0.00 30.24 32.79 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 0.17 0.05 3.69 3.08 -1.61 -0.93 114.38 118.82 3ia7 h ARG 377 Ca 0.00 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.07 3ia7 h ARG 377 Cb 0.00 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 29.96 3ia7 h ARG 377 CO 0.00 0.11 -0.35 0.22 -1.07 0.00 0.00 179.97 178.88 3ia7 h ASP 378 N 0.18 -1.04 -0.36 7.04 3.58 -1.44 -1.55 116.42 122.82 3ia7 h ASP 378 Ca 0.14 0.13 0.08 0.00 0.42 0.00 0.00 57.03 57.79 3ia7 h ASP 378 Cb 0.14 0.41 -0.08 0.00 1.72 0.00 0.00 39.33 41.52 3ia7 h ASP 378 CO -0.17 -0.42 -0.19 0.40 -2.88 0.00 0.00 179.24 175.98 3ia7 h ILE 379 N -0.53 0.45 -0.68 2.25 2.04 -1.80 -0.86 117.51 118.38 3ia7 h ILE 379 Ca 0.05 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.01 3ia7 h ILE 379 Cb 0.60 0.45 -0.07 0.00 -0.74 0.00 0.00 36.82 37.05 3ia7 h ILE 379 CO -0.25 0.00 0.30 0.25 0.00 0.00 0.00 178.15 178.44 3ia7 h LEU 380 N -0.13 0.34 -0.18 1.44 5.85 -0.85 -1.92 115.31 119.87 3ia7 h LEU 380 Ca 0.18 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.97 3ia7 h LEU 380 Cb 0.41 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3ia7 h LEU 380 CO -0.44 0.19 -0.01 -1.54 -0.34 0.00 0.00 178.44 176.30 3ia7 n SER 381 N -4.93 0.28 -0.13 1.25 3.41 -0.41 -4.00 113.62 109.10 3ia7 n SER 381 Ca 0.11 -0.97 -0.06 0.00 -0.26 0.00 0.00 58.87 57.69 3ia7 n SER 381 Cb 0.29 -0.03 0.13 0.00 -0.26 0.00 0.00 64.21 64.34 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 0.43 0.82 0.00 4.04 0.02 -0.48 -3.47 113.55 114.90 3ia7 h SER 382 Ca 0.00 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 3ia7 h SER 382 Cb 0.14 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.46 3ia7 h SER 382 CO 0.00 0.89 0.00 0.61 -1.14 0.00 0.00 176.83 177.19 3ia7 n GLY 383 N -0.56 0.64 7.00 -3.77 0.00 -1.22 -4.34 105.19 102.94 3ia7 n GLY 383 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.21 0.37 -0.02 0.00 0.42 -2.98 105.19 102.77 3ia7 n GLY 384 Ca 0.00 -0.99 0.02 0.00 0.00 0.00 0.00 46.02 45.05 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 1.12 -0.65 1.61 0.11 -1.86 -1.05 132.00 131.28 3ia7 h PRO 385 Ca 0.00 -0.07 0.04 0.00 0.11 0.00 0.00 66.00 66.09 3ia7 h PRO 385 Cb 0.00 -0.25 -0.05 0.00 0.11 0.00 0.00 31.00 30.81 3ia7 h PRO 385 CO 0.00 0.74 0.38 0.00 -0.21 0.00 0.00 178.00 178.91 3ia7 h ALA 386 N 1.46 0.86 -0.36 -0.75 0.00 -1.91 -0.72 119.26 117.85 3ia7 h ALA 386 Ca 0.40 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.18 3ia7 h ALA 386 Cb 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3ia7 h ALA 386 CO -0.14 0.10 -0.27 -0.09 0.00 0.00 0.00 179.25 178.85 3ia7 h ARG 387 N 0.73 0.81 -0.95 0.00 2.43 -1.25 -1.48 114.38 114.67 3ia7 h ARG 387 Ca 0.28 -0.40 0.11 0.00 -0.81 0.00 0.00 59.98 59.16 3ia7 h ARG 387 Cb 0.10 -0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.57 3ia7 h ARG 387 CO -0.14 1.03 0.58 0.00 -1.51 0.00 0.00 179.97 179.93 3ia7 h ALA 388 N 0.76 1.40 -0.37 2.80 0.00 -0.98 0.56 119.26 123.43 3ia7 h ALA 388 Ca 0.07 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 3ia7 h ALA 388 Cb 0.84 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3ia7 h ALA 388 CO 0.07 0.21 -0.36 0.00 0.00 0.00 0.00 179.25 179.17 3ia7 h ALA 389 N 1.50 0.65 -0.77 0.00 0.00 -1.02 -1.49 119.26 118.13 3ia7 h ALA 389 Ca 0.46 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3ia7 h ALA 389 Cb 0.42 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3ia7 h ALA 389 CO -0.25 0.67 0.45 -0.44 0.00 0.00 0.00 179.25 179.69 3ia7 h ASP 390 N 0.72 0.93 -0.05 0.00 3.32 -0.02 -0.22 116.42 121.10 3ia7 h ASP 390 Ca 0.07 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 3ia7 h ASP 390 Cb 0.94 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.25 3ia7 h ASP 390 CO 0.09 0.73 0.03 -0.33 -1.72 0.00 0.00 179.24 178.04 3ia7 h GLU 391 N 1.05 0.07 -0.13 3.56 4.39 0.11 0.41 114.58 124.05 3ia7 h GLU 391 Ca 0.27 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 60.01 3ia7 h GLU 391 Cb -0.02 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.56 3ia7 h GLU 391 CO -0.05 0.09 -0.19 0.28 -1.16 0.00 0.00 179.01 177.99 3ia7 h VAL 392 N 0.03 0.52 -0.50 3.13 2.07 -0.98 -0.56 116.25 119.96 3ia7 h VAL 392 Ca 0.02 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 3ia7 h VAL 392 Cb 0.04 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 3ia7 h VAL 392 CO -0.00 0.00 0.18 -0.33 0.02 0.00 0.00 177.57 177.44 3ia7 h GLU 393 N -0.24 0.72 0.30 1.57 5.08 -0.85 -1.81 114.58 119.35 3ia7 h GLU 393 Ca 0.10 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3ia7 h GLU 393 Cb 0.38 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3ia7 h GLU 393 CO -0.27 0.61 -0.14 0.00 -1.00 0.00 0.00 179.01 178.21 3ia7 h ALA 394 N 1.49 -0.40 -0.75 3.43 0.00 -0.63 -1.35 119.26 121.05 3ia7 h ALA 394 Ca 0.17 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 55.04 3ia7 h ALA 394 Cb 0.17 0.16 -0.14 0.00 0.00 0.00 0.00 17.79 17.97 3ia7 h ALA 394 CO -0.01 -0.55 -0.26 -0.92 0.00 0.00 0.00 179.25 177.50 3ia7 h TYR 395 N -0.75 -0.66 -0.47 0.00 3.20 -1.04 0.69 116.97 117.93 3ia7 h TYR 395 Ca -0.04 0.08 0.04 0.00 3.14 0.00 0.00 58.73 61.94 3ia7 h TYR 395 Cb 0.50 0.40 -0.03 0.00 1.54 0.00 0.00 36.73 39.15 3ia7 h TYR 395 CO 0.03 -0.36 0.31 -0.07 -1.64 0.00 0.00 178.16 176.43 3ia7 h LEU 396 N -0.05 0.42 -0.49 2.82 3.38 -1.23 -0.92 115.31 119.24 3ia7 h LEU 396 Ca 0.33 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.31 3ia7 h LEU 396 Cb 0.57 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 3ia7 h LEU 396 CO -0.79 0.29 0.30 1.23 0.09 0.00 0.00 178.44 179.56 3ia7 h GLY 397 N 0.49 0.68 0.48 0.83 0.00 0.29 0.34 103.07 106.18 3ia7 h GLY 397 Ca 0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 3ia7 h GLY 397 CO -0.05 0.21 -0.03 3.21 0.00 0.00 0.00 176.54 179.89 3ia7 h ARG 398 N 0.61 0.05 -0.00 4.80 3.08 -0.34 -3.30 114.38 119.28 3ia7 h ARG 398 Ca 0.19 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.21 3ia7 h ARG 398 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.03 3ia7 h ARG 398 CO -0.06 0.59 -0.44 1.33 -1.07 0.00 0.00 179.97 180.32 3ia7 n VAL 399 N -4.78 0.00 -3.25 2.04 0.24 -0.62 -4.63 118.33 107.33 3ia7 n VAL 399 Ca -0.08 -0.03 -0.23 0.00 -2.04 0.00 0.00 64.34 61.96 3ia7 n VAL 399 Cb 0.30 0.27 -0.07 0.00 -1.47 0.00 0.00 33.84 32.86 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 -1.31 1.99 1.76 2.33 0.00 0.11 -4.99 120.51 120.41 3ia7 n ALA 400 Ca 0.07 -2.82 0.15 0.00 0.00 0.00 0.00 53.44 50.84 3ia7 n ALA 400 Cb 0.34 -0.88 0.74 0.00 0.00 0.00 0.00 19.45 19.65 3ia7 n ALA 400 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15