#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aiq h GLN 3 N 0.00 0.35 -0.27 1.64 7.50 -1.98 0.15 115.11 122.49 1aiq h GLN 3 Ca 0.00 -0.02 -0.03 0.00 0.50 0.00 0.00 58.65 59.10 1aiq h GLN 3 Cb 0.00 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 27.44 1aiq h GLN 3 CO 0.00 0.23 0.06 -0.92 -1.50 0.00 0.00 178.83 176.70 1aiq h TYR 4 N 0.36 0.47 -0.67 2.96 3.20 -2.00 -0.66 116.97 120.62 1aiq h TYR 4 Ca 0.28 -0.06 -0.07 0.00 3.14 0.00 0.00 58.73 62.02 1aiq h TYR 4 Cb 0.35 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 1aiq h TYR 4 CO -0.18 0.53 0.13 -0.07 -1.64 0.00 0.00 178.16 176.93 1aiq h LEU 5 N 0.27 1.04 -1.44 2.82 3.38 -1.94 -1.90 115.31 117.54 1aiq h LEU 5 Ca 0.08 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 1aiq h LEU 5 Cb 0.30 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1aiq h LEU 5 CO 0.00 1.01 0.02 -0.33 0.09 0.00 0.00 178.44 179.24 1aiq h GLU 6 N 1.02 0.39 -0.23 1.13 5.08 -0.71 -1.75 114.58 119.52 1aiq h GLU 6 Ca 0.21 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1aiq h GLU 6 Cb 0.41 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1aiq h GLU 6 CO 0.01 0.40 -0.02 1.25 -1.00 0.00 0.00 179.01 179.65 1aiq h LEU 7 N 0.38 0.42 -0.40 1.33 6.46 -0.58 -1.94 115.31 120.99 1aiq h LEU 7 Ca 0.09 -0.33 0.04 0.00 -0.12 0.00 0.00 57.88 57.55 1aiq h LEU 7 Cb 0.22 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.00 1aiq h LEU 7 CO 0.00 0.65 0.18 0.24 -0.62 0.00 0.00 178.44 178.90 1aiq h MET 8 N 0.18 0.37 -0.94 1.25 2.86 -0.73 -1.64 114.93 116.28 1aiq h MET 8 Ca 0.06 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.73 1aiq h MET 8 Cb 0.45 -0.08 -0.06 0.00 0.06 0.00 0.00 31.60 31.97 1aiq h MET 8 CO 0.02 0.24 0.61 0.37 1.06 0.00 0.00 176.91 179.21 1aiq h GLN 9 N 0.38 1.11 -0.09 1.72 5.75 -1.26 -2.12 115.11 120.59 1aiq h GLN 9 Ca 0.18 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.61 1aiq h GLN 9 Cb 0.11 -0.25 -0.00 0.00 1.07 0.00 0.00 27.48 28.40 1aiq h GLN 9 CO -0.14 0.73 0.05 -0.22 -2.65 0.00 0.00 178.83 176.60 1aiq h LYS 10 N 1.14 0.13 -0.70 1.69 3.64 -0.51 0.25 116.57 122.21 1aiq h LYS 10 Ca 0.39 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 1aiq h LYS 10 Cb 0.08 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 1aiq h LYS 10 CO -0.14 0.19 0.44 -0.24 -2.27 0.00 0.00 179.45 177.42 1aiq h VAL 11 N 0.04 1.19 -0.25 2.00 3.04 -1.05 0.81 116.25 122.03 1aiq h VAL 11 Ca 0.03 -0.39 -0.13 0.00 -1.01 0.00 0.00 66.70 65.20 1aiq h VAL 11 Cb 0.10 0.18 -0.01 0.00 -2.01 0.00 0.00 31.29 29.55 1aiq h VAL 11 CO -0.00 0.19 -0.37 -0.07 -1.01 0.00 0.00 177.57 176.31 1aiq h LEU 12 N 0.96 0.59 0.19 3.16 3.38 -1.13 0.85 115.31 123.31 1aiq h LEU 12 Ca 0.26 -0.25 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 1aiq h LEU 12 Cb -0.07 -0.16 0.02 0.00 0.09 0.00 0.00 40.66 40.54 1aiq h LEU 12 CO -0.05 0.90 -1.42 0.44 0.09 0.00 0.00 178.44 178.40 1aiq h ASP 13 N 0.47 0.62 -0.00 -0.43 3.32 0.04 -3.39 116.42 117.05 1aiq h ASP 13 Ca 0.05 -0.70 0.00 0.00 0.02 0.00 0.00 57.03 56.40 1aiq h ASP 13 Cb 0.86 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1aiq h ASP 13 CO 0.07 1.55 -0.22 -0.62 -1.72 0.00 0.00 179.24 178.31 1aiq n GLU 14 N -3.60 3.39 -1.27 3.56 1.02 0.27 -5.06 120.64 118.94 1aiq n GLU 14 Ca -0.14 -0.28 -0.35 0.00 -0.02 0.00 0.00 57.16 56.36 1aiq n GLU 14 Cb 1.07 -0.91 0.09 0.00 -0.02 0.00 0.00 31.44 31.67 1aiq n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1aiq n GLY 15 N 0.94 -0.64 3.19 0.62 0.00 0.30 -4.86 105.19 104.73 1aiq n GLY 15 Ca 0.02 -0.39 -0.27 0.00 0.00 0.00 0.00 46.02 45.39 1aiq n GLY 15 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1aiq s THR 16 N -1.91 1.55 0.15 2.61 -1.32 0.19 -4.78 115.64 112.13 1aiq s THR 16 Ca 0.71 -0.82 -0.30 0.00 -1.21 0.00 0.00 61.69 60.07 1aiq s THR 16 Cb -0.33 -1.30 -0.08 0.00 -1.51 0.00 0.00 72.50 69.28 1aiq s THR 16 CO 0.53 0.44 1.27 -1.10 -2.21 0.00 0.00 174.62 173.54 1aiq s GLN 17 N -0.29 4.42 0.02 7.08 -0.21 -1.26 -0.95 119.66 128.46 1aiq s GLN 17 Ca 0.03 1.95 0.02 0.00 0.02 0.00 0.00 55.36 57.38 1aiq s GLN 17 Cb -0.09 -3.25 -0.01 0.00 1.00 0.00 0.00 33.01 30.65 1aiq s GLN 17 CO 0.00 -0.24 -0.07 0.15 -2.12 0.00 0.00 175.29 173.01 1aiq s LYS 18 N 0.33 0.52 -0.14 2.91 1.02 -0.50 -4.96 119.74 118.91 1aiq s LYS 18 Ca 0.57 -0.49 -0.23 0.00 0.02 0.00 0.00 55.97 55.84 1aiq s LYS 18 Cb -0.34 -0.41 -0.03 0.00 -0.52 0.00 0.00 37.83 36.54 1aiq s LYS 18 CO 0.34 0.10 0.71 -0.80 -0.92 0.00 0.00 175.35 174.78 1aiq s ASN 19 N -0.86 6.87 0.28 2.83 0.01 -1.26 -1.88 114.94 120.92 1aiq s ASN 19 Ca -0.03 1.06 0.09 0.00 -0.71 0.00 0.00 52.86 53.27 1aiq s ASN 19 Cb -0.06 -2.40 -0.04 0.00 0.41 0.00 0.00 41.25 39.15 1aiq s ASN 19 CO 0.00 -0.25 0.04 1.51 -1.51 0.00 0.00 177.10 176.89 1aiq s ASP 20 N 1.04 4.66 0.32 -1.22 -4.77 -1.26 -4.96 116.67 110.48 1aiq s ASP 20 Ca 0.35 -0.63 0.10 0.00 -3.30 0.00 0.00 52.55 49.06 1aiq s ASP 20 Cb -0.17 -0.88 0.90 0.00 -1.09 0.00 0.00 42.92 41.68 1aiq s ASP 20 CO 0.14 -0.05 1.71 0.08 0.70 0.00 0.00 175.17 177.75 1aiq h ARG 21 N 1.79 0.49 0.00 2.11 0.11 -1.99 0.67 114.38 117.57 1aiq h ARG 21 Ca -0.45 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.60 1aiq h ARG 21 Cb 1.25 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 32.22 1aiq h ARG 21 CO 0.61 0.33 0.00 0.25 0.10 0.00 0.00 179.97 181.26 1aiq n THR 22 N -4.94 0.00 -1.28 0.08 -2.24 -1.26 -4.83 114.28 99.81 1aiq n THR 22 Ca 0.27 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.94 1aiq n THR 22 Cb 0.78 -0.63 -0.05 0.00 -2.10 0.00 0.00 70.33 68.33 1aiq n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aiq n GLY 23 N 0.13 1.10 0.14 3.38 0.00 0.23 -4.81 105.19 105.37 1aiq n GLY 23 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 1aiq n GLY 23 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1aiq h THR 24 N 0.00 0.93 0.00 2.61 2.02 -1.88 -3.47 112.91 113.11 1aiq h THR 24 Ca -0.24 -2.49 0.00 0.00 0.77 0.00 0.00 66.41 64.45 1aiq h THR 24 Cb 1.03 2.75 0.00 0.00 -1.74 0.00 0.00 68.15 70.19 1aiq h THR 24 CO 0.35 0.85 0.00 0.61 0.37 0.00 0.00 175.52 177.70 1aiq n GLY 25 N 1.86 1.84 3.24 2.16 0.00 -1.26 -4.54 105.19 108.49 1aiq n GLY 25 Ca -0.25 -1.50 -0.14 0.00 0.00 0.00 0.00 46.02 44.13 1aiq n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1aiq s THR 26 N -0.71 1.03 -0.25 2.61 -4.23 -0.79 -0.32 115.64 112.98 1aiq s THR 26 Ca 0.00 -2.03 -0.04 0.00 -1.18 0.00 0.00 61.69 58.44 1aiq s THR 26 Cb 0.00 -1.87 0.01 0.00 1.34 0.00 0.00 72.50 71.98 1aiq s THR 26 CO 0.00 -0.72 -0.02 -0.22 -0.54 0.00 0.00 174.62 173.12 1aiq s LEU 27 N -3.15 3.28 0.09 4.79 0.20 0.57 -1.41 118.68 123.05 1aiq s LEU 27 Ca 0.17 -0.68 0.04 0.00 0.69 0.00 0.00 54.13 54.35 1aiq s LEU 27 Cb 0.04 -1.75 -0.03 0.00 -0.43 0.00 0.00 46.19 44.01 1aiq s LEU 27 CO 0.00 -0.11 -0.11 -0.94 -0.29 0.00 0.00 176.35 174.90 1aiq s SER 28 N 1.42 1.54 0.18 3.68 1.04 -0.13 -1.13 113.70 120.30 1aiq s SER 28 Ca 0.03 -0.77 0.05 0.00 0.48 0.00 0.00 55.95 55.74 1aiq s SER 28 Cb -0.16 -0.01 -0.05 0.00 0.10 0.00 0.00 66.02 65.90 1aiq s SER 28 CO -0.02 -0.21 -0.09 0.27 0.98 0.00 0.00 173.24 174.16 1aiq s ILE 29 N -2.16 1.31 -0.11 -1.02 -4.36 -0.41 -0.63 121.20 113.81 1aiq s ILE 29 Ca 0.04 -2.10 0.00 0.00 -0.26 0.00 0.00 60.65 58.34 1aiq s ILE 29 Cb -0.05 -2.01 0.02 0.00 1.25 0.00 0.00 42.46 41.67 1aiq s ILE 29 CO 0.01 -0.61 -0.11 0.12 0.24 0.00 0.00 174.94 174.58 1aiq s PHE 30 N -3.24 1.71 0.00 1.37 5.36 -1.26 -1.47 117.98 120.45 1aiq s PHE 30 Ca 0.21 -0.85 0.00 0.00 -0.96 0.00 0.00 56.93 55.33 1aiq s PHE 30 Cb 0.02 -1.32 0.00 0.00 -0.34 0.00 0.00 43.02 41.38 1aiq s PHE 30 CO 0.04 -0.51 0.00 0.41 -1.46 0.00 0.00 175.22 173.70 1aiq n GLY 31 N 4.61 -1.54 3.43 13.12 0.00 -0.86 -5.03 105.19 118.93 1aiq n GLY 31 Ca -0.16 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 1aiq n GLY 31 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1aiq s HIS 32 N 0.00 -0.55 -0.18 1.61 2.46 -1.12 -4.97 115.29 112.55 1aiq s HIS 32 Ca 0.00 0.48 -0.13 0.00 0.47 0.00 0.00 55.06 55.88 1aiq s HIS 32 Cb 0.00 0.51 0.05 0.00 -0.13 0.00 0.00 32.58 33.01 1aiq s HIS 32 CO 0.00 -0.78 0.45 -1.14 -2.47 0.00 0.00 174.74 170.80 1aiq s GLN 33 N -3.16 0.48 0.02 2.88 0.74 -1.26 -1.39 119.66 117.97 1aiq s GLN 33 Ca -0.02 0.75 -0.00 0.00 0.05 0.00 0.00 55.36 56.13 1aiq s GLN 33 Cb -0.01 0.12 -0.02 0.00 1.10 0.00 0.00 33.01 34.20 1aiq s GLN 33 CO -0.08 -0.11 -0.02 0.00 -0.55 0.00 0.00 175.29 174.53 1aiq s MET 34 N 0.86 0.35 -0.04 1.67 0.23 -0.28 -4.99 119.30 117.11 1aiq s MET 34 Ca -0.05 -0.67 0.07 0.00 -1.03 0.00 0.00 55.69 54.01 1aiq s MET 34 Cb -0.06 0.12 -0.01 0.00 -1.53 0.00 0.00 34.83 33.35 1aiq s MET 34 CO -0.07 -0.06 -0.24 0.50 -2.03 0.00 0.00 175.02 173.12 1aiq s ARG 35 N -1.72 2.20 -0.17 3.16 3.52 -1.26 -0.14 118.95 124.53 1aiq s ARG 35 Ca -0.13 -0.88 0.01 0.00 -0.13 0.00 0.00 55.73 54.60 1aiq s ARG 35 Cb -0.08 -2.00 0.02 0.00 -1.56 0.00 0.00 34.95 31.33 1aiq s ARG 35 CO -0.02 0.46 -0.17 -0.06 -0.81 0.00 0.00 175.30 174.69 1aiq s PHE 36 N -0.38 2.59 -0.62 5.12 0.40 -0.07 -4.97 117.98 120.04 1aiq s PHE 36 Ca 0.04 -1.54 -0.28 0.00 -0.60 0.00 0.00 56.93 54.55 1aiq s PHE 36 Cb -0.11 -1.81 0.03 0.00 0.51 0.00 0.00 43.02 41.64 1aiq s PHE 36 CO 0.01 -0.77 1.23 1.21 0.70 0.00 0.00 175.22 177.60 1aiq s ASN 37 N 1.35 6.36 0.37 1.36 3.04 -1.26 -1.01 114.94 125.15 1aiq s ASN 37 Ca 0.04 -0.03 0.22 0.00 0.04 0.00 0.00 52.86 53.13 1aiq s ASN 37 Cb -0.13 -2.56 1.21 0.00 -1.54 0.00 0.00 41.25 38.23 1aiq s ASN 37 CO -0.12 -1.59 1.65 -0.07 -3.04 0.00 0.00 177.10 173.94 1aiq h LEU 38 N 12.27 0.00 0.00 3.21 3.38 -1.26 0.19 115.31 133.10 1aiq h LEU 38 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1aiq h LEU 38 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1aiq h LEU 38 CO 1.21 0.00 -0.17 0.00 0.09 0.00 0.00 178.44 179.57 1aiq n GLN 39 N -2.32 0.10 0.18 1.13 6.02 -1.26 -3.17 117.38 118.06 1aiq n GLN 39 Ca -0.01 0.06 0.07 0.00 -0.01 0.00 0.00 57.00 57.11 1aiq n GLN 39 Cb 0.13 -1.60 0.16 0.00 1.02 0.00 0.00 30.24 29.95 1aiq n GLN 39 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1aiq h ASP 40 N 0.00 0.00 -2.40 1.08 3.32 -1.01 -3.49 116.42 113.93 1aiq h ASP 40 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1aiq h ASP 40 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1aiq h ASP 40 CO 0.00 0.30 0.00 0.61 -1.72 0.00 0.00 179.24 178.43 1aiq n GLY 41 N 0.96 2.77 3.68 2.75 0.00 -1.19 -4.84 105.19 109.32 1aiq n GLY 41 Ca 0.02 -1.48 -0.43 0.00 0.00 0.00 0.00 46.02 44.14 1aiq n GLY 41 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1aiq s PHE 42 N -2.00 3.35 -1.15 1.61 5.36 0.56 -4.63 117.98 121.08 1aiq s PHE 42 Ca 0.00 1.45 -0.15 0.00 -0.96 0.00 0.00 56.93 57.27 1aiq s PHE 42 Cb 0.00 -3.28 -0.06 0.00 -0.34 0.00 0.00 43.02 39.34 1aiq s PHE 42 CO 0.00 -0.59 2.20 -0.35 -1.46 0.00 0.00 175.22 175.02 1aiq n PRO 43 N 5.63 2.36 -3.86 10.12 -0.04 -1.26 -3.85 135.00 144.09 1aiq n PRO 43 Ca 0.11 -2.10 -0.36 0.00 -0.04 0.00 0.00 63.50 61.11 1aiq n PRO 43 Cb 0.47 -2.96 -0.13 0.00 -0.04 0.00 0.00 33.50 30.84 1aiq n PRO 43 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1aiq s LEU 44 N 1.24 3.27 0.16 1.53 2.96 -1.26 -4.21 118.68 122.37 1aiq s LEU 44 Ca 0.53 -0.25 -0.33 0.00 -0.22 0.00 0.00 54.13 53.85 1aiq s LEU 44 Cb 0.14 -1.86 -0.15 0.00 0.50 0.00 0.00 46.19 44.82 1aiq s LEU 44 CO -0.00 -0.01 1.28 0.52 -1.32 0.00 0.00 176.35 176.82 1aiq n VAL 45 N 4.73 0.63 0.05 1.68 0.31 -1.26 -4.77 118.33 119.71 1aiq n VAL 45 Ca -0.17 -0.16 0.07 0.00 -0.01 0.00 0.00 64.34 64.07 1aiq n VAL 45 Cb 0.51 -1.01 -0.11 0.00 -0.91 0.00 0.00 33.84 32.32 1aiq n VAL 45 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1aiq n THR 46 N 1.95 0.00 1.30 2.52 -2.24 -1.26 -4.46 114.28 112.10 1aiq n THR 46 Ca 0.15 -0.31 0.08 0.00 -2.27 0.00 0.00 64.05 61.70 1aiq n THR 46 Cb 0.25 0.25 0.49 0.00 -2.10 0.00 0.00 70.33 69.22 1aiq n THR 46 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1aiq n THR 47 N -1.93 0.00 -3.59 4.28 -2.24 -1.26 0.76 114.28 110.30 1aiq n THR 47 Ca -0.02 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.63 1aiq n THR 47 Cb 0.36 -0.57 -0.06 0.00 -2.10 0.00 0.00 70.33 67.96 1aiq n THR 47 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1aiq s LYS 48 N -2.00 0.76 0.08 -0.78 -2.85 -1.26 -4.57 119.74 109.13 1aiq s LYS 48 Ca 0.25 0.48 -0.31 0.00 -1.00 0.00 0.00 55.97 55.38 1aiq s LYS 48 Cb 0.11 0.37 -0.07 0.00 -2.06 0.00 0.00 37.83 36.18 1aiq s LYS 48 CO 0.19 -0.18 1.33 0.50 0.10 0.00 0.00 175.35 177.29 1aiq s ARG 49 N -0.49 4.35 0.13 1.78 3.52 -0.98 -4.66 118.95 122.61 1aiq s ARG 49 Ca -0.03 1.97 0.05 0.00 -0.13 0.00 0.00 55.73 57.59 1aiq s ARG 49 Cb -0.02 -3.32 -0.04 0.00 -1.56 0.00 0.00 34.95 30.00 1aiq s ARG 49 CO 0.02 -0.40 0.04 0.00 -0.81 0.00 0.00 175.30 174.15 1aiq s HIS 51 N -1.55 3.33 0.27 0.00 2.46 -1.26 -4.91 115.29 113.63 1aiq s HIS 51 Ca 0.28 -1.56 -0.03 0.00 0.47 0.00 0.00 55.06 54.22 1aiq s HIS 51 Cb -0.11 -4.11 0.38 0.00 -0.13 0.00 0.00 32.58 28.62 1aiq s HIS 51 CO 0.20 -1.31 1.90 1.25 -2.47 0.00 0.00 174.74 174.31 1aiq h LEU 52 N 9.50 1.06 -1.35 8.88 5.85 -2.00 -2.41 115.31 134.84 1aiq h LEU 52 Ca 0.10 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.87 1aiq h LEU 52 Cb 1.03 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.79 1aiq h LEU 52 CO 0.99 0.70 0.48 -0.09 -0.34 0.00 0.00 178.44 180.18 1aiq h ARG 53 N 1.22 0.79 -0.23 1.25 2.43 -2.00 -0.81 114.38 117.02 1aiq h ARG 53 Ca 0.41 -0.05 -0.20 0.00 -0.81 0.00 0.00 59.98 59.34 1aiq h ARG 53 Cb 0.08 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1aiq h ARG 53 CO -0.14 0.52 -0.63 0.77 -1.51 0.00 0.00 179.97 178.98 1aiq h SER 54 N 0.81 0.93 -0.09 -3.80 0.02 -1.84 -2.69 113.55 106.89 1aiq h SER 54 Ca 0.31 -0.54 -0.01 0.00 -0.84 0.00 0.00 61.79 60.71 1aiq h SER 54 Cb 0.18 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.44 1aiq h SER 54 CO -0.10 1.33 0.03 0.40 -1.14 0.00 0.00 176.83 177.35 1aiq h ILE 55 N 0.60 1.18 0.19 3.27 2.04 -1.13 -2.51 117.51 121.15 1aiq h ILE 55 Ca -0.01 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 1aiq h ILE 55 Cb 1.24 1.37 0.00 0.00 -0.74 0.00 0.00 36.82 38.69 1aiq h ILE 55 CO 0.13 0.16 -0.09 0.40 0.00 0.00 0.00 178.15 178.75 1aiq h ILE 56 N -0.04 0.83 -0.85 -0.67 2.04 -1.24 -2.72 117.51 114.86 1aiq h ILE 56 Ca 0.03 -0.06 0.05 0.00 1.00 0.00 0.00 64.86 65.88 1aiq h ILE 56 Cb 0.22 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.11 1aiq h ILE 56 CO -0.00 0.01 0.55 0.45 0.00 0.00 0.00 178.15 179.17 1aiq h HIS 57 N -0.28 0.98 -0.53 1.37 3.86 -1.49 -0.92 115.15 118.14 1aiq h HIS 57 Ca -0.03 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 1aiq h HIS 57 Cb 0.21 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.34 1aiq h HIS 57 CO -0.06 0.54 0.19 1.49 0.86 0.00 0.00 177.93 180.95 1aiq h GLU 58 N 0.98 0.80 -0.62 2.45 4.81 -1.35 -1.21 114.58 120.44 1aiq h GLU 58 Ca 0.35 -0.16 -0.07 0.00 -0.13 0.00 0.00 59.36 59.36 1aiq h GLU 58 Cb 0.14 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1aiq h GLU 58 CO -0.12 0.72 0.11 1.25 -0.73 0.00 0.00 179.01 180.24 1aiq h LEU 59 N 0.72 0.97 -0.88 1.64 5.85 -0.96 0.03 115.31 122.68 1aiq h LEU 59 Ca 0.17 -0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 1aiq h LEU 59 Cb 0.23 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1aiq h LEU 59 CO -0.01 0.97 0.27 -0.07 -0.34 0.00 0.00 178.44 179.27 1aiq h LEU 60 N 0.92 1.02 0.17 2.25 4.07 -1.05 -1.32 115.31 121.37 1aiq h LEU 60 Ca 0.19 -0.16 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1aiq h LEU 60 Cb 0.41 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.87 1aiq h LEU 60 CO 0.01 0.91 -0.16 -0.25 -1.08 0.00 0.00 178.44 177.88 1aiq h TRP 61 N 1.07 -0.41 -0.29 1.13 7.01 -0.72 -0.61 115.95 123.13 1aiq h TRP 61 Ca 0.24 0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.31 1aiq h TRP 61 Cb 0.23 0.16 -0.06 0.00 -2.10 0.00 0.00 29.16 27.39 1aiq h TRP 61 CO 0.02 -0.24 -0.11 0.74 -2.79 0.00 0.00 178.44 176.06 1aiq h PHE 62 N -0.35 -0.25 0.00 2.65 0.04 -0.67 -2.03 116.94 116.33 1aiq h PHE 62 Ca -0.00 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 1aiq h PHE 62 Cb 0.33 0.15 -0.00 0.00 2.20 0.00 0.00 35.95 38.63 1aiq h PHE 62 CO -0.13 -0.17 -0.02 -0.07 -0.60 0.00 0.00 178.31 177.32 1aiq h LEU 63 N -0.05 0.00 -0.36 1.54 3.38 -0.82 0.48 115.31 119.49 1aiq h LEU 63 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1aiq h LEU 63 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1aiq h LEU 63 CO -0.33 0.02 0.00 1.56 0.09 0.00 0.00 178.44 179.78 1aiq h GLN 64 N 0.00 0.00 0.00 1.13 1.08 -0.38 -3.47 115.11 113.47 1aiq h GLN 64 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1aiq h GLN 64 Cb 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 1aiq h GLN 64 CO 0.00 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.29 1aiq n GLY 65 N 0.70 0.55 3.81 3.46 0.00 0.16 -5.04 105.19 108.82 1aiq n GLY 65 Ca 0.04 -0.46 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 1aiq n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1aiq s ASP 66 N -2.42 7.06 -0.02 1.61 -1.08 -1.10 -3.71 116.67 117.01 1aiq s ASP 66 Ca 0.00 1.60 0.03 0.00 -0.52 0.00 0.00 52.55 53.66 1aiq s ASP 66 Cb 0.00 -2.49 0.04 0.00 -1.46 0.00 0.00 42.92 39.00 1aiq s ASP 66 CO 0.00 -0.15 0.86 0.35 0.52 0.00 0.00 175.17 176.75 1aiq n THR 67 N 0.09 0.34 -5.01 1.71 -2.24 -1.26 -4.21 114.28 103.70 1aiq n THR 67 Ca 0.03 -0.39 -0.32 0.00 -2.27 0.00 0.00 64.05 61.10 1aiq n THR 67 Cb 0.52 0.56 -0.14 0.00 -2.10 0.00 0.00 70.33 69.17 1aiq n THR 67 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1aiq s ASN 68 N -0.94 3.72 0.00 3.42 3.84 -1.26 -1.93 114.94 121.79 1aiq s ASN 68 Ca 0.04 -0.30 0.20 0.00 0.21 0.00 0.00 52.86 53.02 1aiq s ASN 68 Cb 0.04 -0.81 0.90 0.00 -0.55 0.00 0.00 41.25 40.82 1aiq s ASN 68 CO 0.00 0.31 1.65 2.30 -2.79 0.00 0.00 177.10 178.57 1aiq n ILE 69 N 2.51 0.57 -0.32 -5.21 -5.35 -0.70 -3.99 119.36 106.87 1aiq n ILE 69 Ca -0.17 0.14 -0.03 0.00 -0.27 0.00 0.00 62.75 62.42 1aiq n ILE 69 Cb 0.52 -0.80 0.02 0.00 -1.74 0.00 0.00 39.64 37.64 1aiq n ILE 69 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1aiq h ALA 70 N 2.75 0.03 -0.67 -1.28 0.00 -1.93 0.56 119.26 118.72 1aiq h ALA 70 Ca 0.00 0.23 0.10 0.00 0.00 0.00 0.00 54.91 55.24 1aiq h ALA 70 Cb 0.32 0.96 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 1aiq h ALA 70 CO 0.00 -0.67 0.29 -0.92 0.00 0.00 0.00 179.25 177.95 1aiq h TYR 71 N -0.06 0.52 -0.34 0.00 3.20 -2.00 0.17 116.97 118.46 1aiq h TYR 71 Ca 0.29 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 62.13 1aiq h TYR 71 Cb 0.57 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 1aiq h TYR 71 CO -0.80 0.15 -0.06 -0.07 -1.64 0.00 0.00 178.16 175.74 1aiq h LEU 72 N 0.50 0.53 -0.27 2.82 3.38 -0.35 -2.89 115.31 119.02 1aiq h LEU 72 Ca 0.34 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 1aiq h LEU 72 Cb 0.41 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1aiq h LEU 72 CO -0.30 0.64 -0.05 0.45 0.09 0.00 0.00 178.44 179.27 1aiq h HIS 73 N 0.52 0.57 -0.76 1.13 3.86 0.22 0.51 115.15 121.19 1aiq h HIS 73 Ca 0.10 -0.12 0.22 0.00 -1.16 0.00 0.00 60.37 59.42 1aiq h HIS 73 Cb 0.43 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.72 1aiq h HIS 73 CO 0.02 0.70 0.56 0.93 0.86 0.00 0.00 177.93 181.00 1aiq h GLU 74 N 0.27 0.00 -0.35 2.45 5.08 -0.60 0.32 114.58 121.75 1aiq h GLU 74 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1aiq h GLU 74 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1aiq h GLU 74 CO 0.02 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.12 1aiq n ASN 75 N -4.24 4.37 -3.74 1.42 4.13 -0.99 -4.97 115.26 111.23 1aiq n ASN 75 Ca 0.15 -2.96 -0.25 0.00 1.68 0.00 0.00 54.58 53.20 1aiq n ASN 75 Cb 0.85 -0.58 0.04 0.00 -1.54 0.00 0.00 39.78 38.55 1aiq n ASN 75 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1aiq n ASN 76 N -0.16 -3.67 -4.25 6.41 3.02 0.11 -4.98 115.26 111.74 1aiq n ASN 76 Ca 0.23 -0.73 -0.34 0.00 -0.03 0.00 0.00 54.58 53.71 1aiq n ASN 76 Cb 0.96 -4.27 -0.15 0.00 -0.61 0.00 0.00 39.78 35.71 1aiq n ASN 76 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1aiq s VAL 77 N -3.43 2.77 -0.12 2.41 1.01 0.17 -4.98 120.40 118.23 1aiq s VAL 77 Ca 0.38 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1aiq s VAL 77 Cb -0.18 -2.21 0.04 0.00 0.00 0.00 0.00 36.38 34.03 1aiq s VAL 77 CO 0.80 0.49 1.03 0.35 0.00 0.00 0.00 175.10 177.77 1aiq n THR 78 N 4.47 1.01 0.23 3.92 -2.24 -1.26 -3.88 114.28 116.53 1aiq n THR 78 Ca -0.19 -1.01 0.18 0.00 -2.27 0.00 0.00 64.05 60.76 1aiq n THR 78 Cb 0.51 0.49 0.82 0.00 -2.10 0.00 0.00 70.33 70.05 1aiq n THR 78 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 1aiq h ILE 79 N 0.27 0.21 -0.02 2.28 3.07 -1.97 -2.15 117.51 119.19 1aiq h ILE 79 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1aiq h ILE 79 Cb 0.53 0.71 0.00 0.00 -0.27 0.00 0.00 36.82 37.79 1aiq h ILE 79 CO 0.00 0.00 -0.22 0.79 -1.05 0.00 0.00 178.15 177.67 1aiq n TRP 80 N -3.33 0.00 -0.21 0.16 7.02 -1.26 -4.71 117.44 115.11 1aiq n TRP 80 Ca 0.02 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.48 1aiq n TRP 80 Cb 0.43 0.00 0.05 0.00 -2.42 0.00 0.00 31.31 29.38 1aiq n TRP 80 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1aiq h ASP 81 N 2.54 -0.72 -0.04 -0.99 5.19 -1.73 -2.60 116.42 118.08 1aiq h ASP 81 Ca 0.00 0.20 0.01 0.00 -0.62 0.00 0.00 57.03 56.62 1aiq h ASP 81 Cb 0.65 0.44 -0.00 0.00 0.18 0.00 0.00 39.33 40.60 1aiq h ASP 81 CO 0.00 -0.24 0.30 -0.33 -3.12 0.00 0.00 179.24 175.85 1aiq h GLU 82 N -0.04 0.00 -0.01 3.56 3.07 -1.84 -2.52 114.58 116.80 1aiq h GLU 82 Ca 0.30 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.16 1aiq h GLU 82 Cb 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 1aiq h GLU 82 CO -0.67 0.00 -0.31 0.91 -1.40 0.00 0.00 179.01 177.55 1aiq n TRP 83 N -3.01 0.00 -2.77 4.33 8.01 -0.98 -5.01 117.44 118.01 1aiq n TRP 83 Ca -0.01 0.00 -0.33 0.00 -1.31 0.00 0.00 57.50 55.85 1aiq n TRP 83 Cb 0.36 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.60 1aiq n TRP 83 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1aiq s ALA 84 N -1.63 3.08 0.88 6.99 0.00 -0.95 -4.82 121.76 125.31 1aiq s ALA 84 Ca 0.09 0.30 -0.02 0.00 0.00 0.00 0.00 51.96 52.33 1aiq s ALA 84 Cb 0.09 -3.09 0.03 0.00 0.00 0.00 0.00 23.12 20.15 1aiq s ALA 84 CO 0.33 0.07 0.19 -0.40 0.00 0.00 0.00 175.76 175.95 1aiq n ASP 85 N -0.82 0.06 0.20 0.00 5.75 -0.67 -4.83 116.55 116.24 1aiq n ASP 85 Ca 0.06 -1.09 0.12 0.00 -0.01 0.00 0.00 54.79 53.87 1aiq n ASP 85 Cb 0.54 -0.14 0.70 0.00 -1.03 0.00 0.00 41.12 41.18 1aiq n ASP 85 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1aiq h GLU 86 N 0.00 0.00 -0.01 0.11 3.07 -1.98 -0.98 114.58 114.79 1aiq h GLU 86 Ca -0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 1aiq h GLU 86 Cb 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 1aiq h GLU 86 CO 0.05 0.00 -0.07 0.09 -1.40 0.00 0.00 179.01 177.68 1aiq n ASN 87 N -4.37 1.41 0.00 1.42 5.03 -1.26 -4.92 115.26 112.57 1aiq n ASN 87 Ca 0.00 -1.35 0.00 0.00 0.87 0.00 0.00 54.58 54.10 1aiq n ASN 87 Cb 0.23 0.04 0.00 0.00 -1.02 0.00 0.00 39.78 39.02 1aiq n ASN 87 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1aiq n GLY 88 N 1.22 0.76 3.77 7.41 0.00 -0.37 -4.90 105.19 113.08 1aiq n GLY 88 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1aiq n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1aiq s ASP 89 N -2.73 7.49 0.00 1.61 1.01 -1.26 -1.71 116.67 121.08 1aiq s ASP 89 Ca 0.00 1.81 0.10 0.00 0.71 0.00 0.00 52.55 55.17 1aiq s ASP 89 Cb 0.00 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.35 1aiq s ASP 89 CO 0.00 0.14 0.60 0.18 0.21 0.00 0.00 175.17 176.30 1aiq n LEU 90 N 1.36 1.08 0.00 1.23 4.77 -0.81 -1.67 117.00 122.96 1aiq n LEU 90 Ca -0.03 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.24 1aiq n LEU 90 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1aiq n LEU 90 CO 0.48 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 1aiq n GLY 91 N 0.97 -2.59 2.66 -0.72 0.00 -1.26 -1.06 105.19 103.19 1aiq n GLY 91 Ca 0.04 -1.79 -0.35 0.00 0.00 0.00 0.00 46.02 43.92 1aiq n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1aiq n PRO 92 N -0.24 2.55 0.00 1.61 -0.04 -1.26 -4.81 135.00 132.81 1aiq n PRO 92 Ca 0.00 -1.96 0.00 0.00 -0.04 0.00 0.00 63.50 61.50 1aiq n PRO 92 Cb 0.00 -2.81 0.00 0.00 -0.04 0.00 0.00 33.50 30.65 1aiq n PRO 92 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1aiq n VAL 93 N 4.59 0.00 -0.15 0.52 0.24 -1.26 -4.52 118.33 117.74 1aiq n VAL 93 Ca 0.56 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.82 1aiq n VAL 93 Cb 0.27 -1.62 -0.04 0.00 -1.47 0.00 0.00 33.84 30.98 1aiq n VAL 93 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1aiq n TYR 94 N 0.00 -0.16 -0.15 6.34 4.01 -1.26 -1.66 117.16 124.28 1aiq n TYR 94 Ca 0.00 0.46 -0.03 0.00 -0.16 0.00 0.00 57.90 58.17 1aiq n TYR 94 Cb 0.00 -0.45 0.04 0.00 -0.31 0.00 0.00 39.34 38.62 1aiq n TYR 94 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1aiq h GLY 95 N 0.00 0.42 0.97 2.72 0.00 -1.76 -0.29 103.07 105.13 1aiq h GLY 95 Ca 0.06 0.10 -0.06 0.00 0.00 0.00 0.00 47.33 47.44 1aiq h GLY 95 CO -0.34 -0.16 0.07 1.70 0.00 0.00 0.00 176.54 177.81 1aiq h LYS 96 N 0.06 0.77 -0.57 4.80 1.63 -1.40 -2.06 116.57 119.80 1aiq h LYS 96 Ca 0.23 -0.21 -0.09 0.00 -0.85 0.00 0.00 60.65 59.73 1aiq h LYS 96 Cb 0.36 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.88 1aiq h LYS 96 CO -0.44 0.79 -0.01 1.96 -3.45 0.00 0.00 179.45 178.30 1aiq h GLN 97 N 0.64 1.01 -0.34 1.90 1.08 -1.10 1.05 115.11 119.35 1aiq h GLN 97 Ca 0.14 -0.33 -0.02 0.00 -1.45 0.00 0.00 58.65 56.99 1aiq h GLN 97 Cb 0.39 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 1aiq h GLN 97 CO 0.01 1.01 0.12 -1.49 -0.95 0.00 0.00 178.83 177.53 1aiq h TRP 98 N 0.90 0.53 0.00 2.96 4.06 -1.01 -3.20 115.95 120.17 1aiq h TRP 98 Ca 0.16 -0.04 -0.14 0.00 2.06 0.00 0.00 58.89 60.93 1aiq h TRP 98 Cb 0.56 -0.16 -0.02 0.00 -1.00 0.00 0.00 29.16 28.54 1aiq h TRP 98 CO 0.04 0.50 -1.68 0.54 -3.56 0.00 0.00 178.44 174.29 1aiq n ARG 99 N -4.69 0.64 -2.97 0.49 5.12 -0.78 -0.84 116.66 113.64 1aiq n ARG 99 Ca -0.01 0.06 -0.15 0.00 -1.93 0.00 0.00 57.85 55.82 1aiq n ARG 99 Cb 0.15 -1.69 0.01 0.00 -1.16 0.00 0.00 32.46 29.78 1aiq n ARG 99 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1aiq n ALA 100 N -2.39 0.61 -2.24 7.54 0.00 0.36 -3.66 120.51 120.72 1aiq n ALA 100 Ca -0.11 -2.44 -0.43 0.00 0.00 0.00 0.00 53.44 50.46 1aiq n ALA 100 Cb 0.79 -1.05 -0.02 0.00 0.00 0.00 0.00 19.45 19.16 1aiq n ALA 100 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1aiq s TRP 101 N -0.80 2.52 -0.10 0.00 -0.11 -0.77 -4.63 118.94 115.05 1aiq s TRP 101 Ca 0.32 0.67 -0.29 0.00 1.22 0.00 0.00 56.10 58.02 1aiq s TRP 101 Cb 0.28 -3.68 -0.01 0.00 -1.50 0.00 0.00 33.47 28.55 1aiq s TRP 101 CO -0.11 -2.62 0.99 -1.25 -4.62 0.00 0.00 176.95 169.35 1aiq s PRO 102 N 3.53 4.43 0.71 5.86 0.04 -1.26 -0.11 135.00 148.19 1aiq s PRO 102 Ca 0.63 1.37 -0.02 0.00 0.04 0.00 0.00 61.00 63.02 1aiq s PRO 102 Cb -0.27 -3.54 0.11 0.00 0.04 0.00 0.00 34.50 30.83 1aiq s PRO 102 CO 0.22 -0.29 0.98 0.95 0.04 0.00 0.00 177.00 178.90 1aiq s THR 103 N 1.94 2.24 -0.49 1.26 -4.23 -0.31 -5.00 115.64 111.06 1aiq s THR 103 Ca 0.48 -0.52 0.24 0.00 -1.18 0.00 0.00 61.69 60.71 1aiq s THR 103 Cb -0.18 -2.73 0.25 0.00 1.34 0.00 0.00 72.50 71.18 1aiq s THR 103 CO 0.18 0.00 1.54 -0.65 -0.54 0.00 0.00 174.62 175.15 1aiq h PRO 104 N -0.52 0.00 -0.40 3.99 0.11 -1.97 -3.26 132.00 129.96 1aiq h PRO 104 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1aiq h PRO 104 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1aiq h PRO 104 CO 0.45 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.84 1aiq n ASP 105 N -2.77 2.01 0.00 -2.05 5.68 -1.26 -4.89 116.55 113.27 1aiq n ASP 105 Ca 0.04 -2.05 0.00 0.00 -0.50 0.00 0.00 54.79 52.28 1aiq n ASP 105 Cb 0.50 -0.27 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 1aiq n ASP 105 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1aiq n GLY 106 N 0.96 0.72 3.98 6.12 0.00 -1.23 -5.07 105.19 110.68 1aiq n GLY 106 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 1aiq n GLY 106 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1aiq s ARG 107 N -0.59 2.10 -0.02 1.61 0.52 -1.26 -4.89 118.95 116.41 1aiq s ARG 107 Ca 0.00 -0.98 0.01 0.00 -0.52 0.00 0.00 55.73 54.24 1aiq s ARG 107 Cb 0.00 -2.41 0.01 0.00 0.52 0.00 0.00 34.95 33.07 1aiq s ARG 107 CO 0.00 -1.09 -0.04 -1.01 0.02 0.00 0.00 175.30 173.18 1aiq s HIS 108 N -2.95 0.53 -0.20 -0.53 3.76 -1.26 -1.16 115.29 113.48 1aiq s HIS 108 Ca 0.62 -0.11 -0.06 0.00 -0.15 0.00 0.00 55.06 55.37 1aiq s HIS 108 Cb -0.08 -0.43 -0.03 0.00 1.11 0.00 0.00 32.58 33.15 1aiq s HIS 108 CO 0.41 -0.08 0.01 0.42 -0.85 0.00 0.00 174.74 174.65 1aiq s ILE 109 N 0.40 4.09 -0.71 0.60 1.01 0.85 -4.83 121.20 122.62 1aiq s ILE 109 Ca -0.05 -0.27 -0.22 0.00 0.00 0.00 0.00 60.65 60.12 1aiq s ILE 109 Cb -0.08 -2.85 0.08 0.00 0.01 0.00 0.00 42.46 39.62 1aiq s ILE 109 CO -0.00 0.42 0.98 -0.62 0.00 0.00 0.00 174.94 175.72 1aiq s ASP 110 N 0.96 6.26 0.41 3.58 -1.08 -1.24 -1.86 116.67 123.70 1aiq s ASP 110 Ca 0.02 -1.23 0.17 0.00 -0.52 0.00 0.00 52.55 51.00 1aiq s ASP 110 Cb -0.14 -2.41 0.87 0.00 -1.46 0.00 0.00 42.92 39.78 1aiq s ASP 110 CO 0.02 -1.35 1.86 1.56 0.52 0.00 0.00 175.17 177.78 1aiq h GLN 111 N 9.41 0.00 -0.11 4.34 4.20 -1.22 -2.29 115.11 129.44 1aiq h GLN 111 Ca -0.20 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.43 1aiq h GLN 111 Cb 1.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.84 1aiq h GLN 111 CO 1.17 0.32 -0.22 0.82 -0.67 0.00 0.00 178.83 180.24 1aiq h ILE 112 N 0.00 1.39 -0.59 2.54 1.08 -1.88 -1.60 117.51 118.44 1aiq h ILE 112 Ca -0.00 -1.50 -0.07 0.00 -0.39 0.00 0.00 64.86 62.90 1aiq h ILE 112 Cb 0.64 2.09 -0.02 0.00 -3.07 0.00 0.00 36.82 36.45 1aiq h ILE 112 CO 0.04 0.43 0.09 0.74 -0.69 0.00 0.00 178.15 178.76 1aiq h THR 113 N -0.09 1.25 -0.21 -0.27 2.02 -1.87 -0.75 112.91 112.98 1aiq h THR 113 Ca 0.00 -0.97 -0.00 0.00 0.77 0.00 0.00 66.41 66.21 1aiq h THR 113 Cb 0.80 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 1aiq h THR 113 CO 0.05 0.36 0.13 0.74 0.37 0.00 0.00 175.52 177.17 1aiq h THR 114 N 0.90 1.09 -0.64 3.16 2.02 -1.36 -0.31 112.91 117.76 1aiq h THR 114 Ca 0.18 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 1aiq h THR 114 Cb 0.40 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 1aiq h THR 114 CO 0.01 0.08 0.32 0.58 0.37 0.00 0.00 175.52 176.88 1aiq h VAL 115 N 0.26 1.22 -0.31 3.16 2.07 -1.02 -1.17 116.25 120.46 1aiq h VAL 115 Ca 0.08 -0.60 0.02 0.00 0.82 0.00 0.00 66.70 67.02 1aiq h VAL 115 Cb 0.02 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 1aiq h VAL 115 CO -0.01 0.25 0.15 -0.07 0.02 0.00 0.00 177.57 177.90 1aiq h LEU 116 N 0.88 0.22 -0.76 2.57 3.38 -0.78 -0.50 115.31 120.33 1aiq h LEU 116 Ca 0.22 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.24 1aiq h LEU 116 Cb 0.10 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 1aiq h LEU 116 CO -0.03 0.17 0.48 0.78 0.09 0.00 0.00 178.44 179.93 1aiq h ASN 117 N 0.31 0.79 -0.44 -0.43 -0.26 -0.58 -2.47 115.58 112.51 1aiq h ASN 117 Ca 0.13 -0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.85 1aiq h ASN 117 Cb 0.05 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.11 1aiq h ASN 117 CO -0.09 0.55 0.23 1.56 -1.06 0.00 0.00 177.43 178.62 1aiq h GLN 118 N 0.94 0.61 0.00 0.81 4.20 -0.70 0.22 115.11 121.20 1aiq h GLN 118 Ca 0.30 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.92 1aiq h GLN 118 Cb 0.01 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.67 1aiq h GLN 118 CO -0.11 0.50 -0.09 -0.07 -0.67 0.00 0.00 178.83 178.39 1aiq h LEU 119 N 0.57 0.00 0.03 1.46 3.38 -0.76 1.30 115.31 121.30 1aiq h LEU 119 Ca 0.15 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.81 1aiq h LEU 119 Cb 0.07 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1aiq h LEU 119 CO -0.02 0.09 -1.80 0.29 0.09 0.00 0.00 178.44 177.09 1aiq n LYS 120 N -4.29 0.67 -0.00 1.13 5.02 -0.96 -4.08 118.16 115.64 1aiq n LYS 120 Ca -0.03 0.28 0.03 0.00 -2.02 0.00 0.00 58.31 56.58 1aiq n LYS 120 Cb 0.17 -1.77 -0.04 0.00 -0.02 0.00 0.00 35.03 33.36 1aiq n LYS 120 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1aiq n ASN 121 N -3.16 1.44 -2.70 4.39 3.02 0.04 -4.81 115.26 113.48 1aiq n ASN 121 Ca -0.21 -0.42 -0.08 0.00 -0.03 0.00 0.00 54.58 53.84 1aiq n ASN 121 Cb 1.05 1.12 0.10 0.00 -0.61 0.00 0.00 39.78 41.44 1aiq n ASN 121 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1aiq n ASP 122 N -1.37 -1.21 0.21 6.41 2.03 0.43 -4.96 116.55 118.08 1aiq n ASP 122 Ca 0.00 -2.55 0.11 0.00 0.52 0.00 0.00 54.79 52.88 1aiq n ASP 122 Cb 0.13 0.71 0.61 0.00 -0.72 0.00 0.00 41.12 41.86 1aiq n ASP 122 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1aiq h PRO 123 N 2.24 0.00 0.00 -0.67 0.13 -1.29 0.97 132.00 133.38 1aiq h PRO 123 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1aiq h PRO 123 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1aiq h PRO 123 CO 0.06 0.00 -0.15 -0.44 -0.23 0.00 0.00 178.00 177.24 1aiq h ASP 124 N 0.00 0.00 -2.26 1.44 3.32 -1.90 -3.35 116.42 113.67 1aiq h ASP 124 Ca 0.00 -0.03 -0.61 0.00 0.02 0.00 0.00 57.03 56.42 1aiq h ASP 124 Cb 0.30 0.00 0.15 0.00 0.22 0.00 0.00 39.33 39.99 1aiq h ASP 124 CO 0.00 0.01 -0.44 -0.24 -1.72 0.00 0.00 179.24 176.85 1aiq n SER 125 N -2.58 -1.01 -1.27 6.45 2.88 0.33 -4.89 113.62 113.54 1aiq n SER 125 Ca 0.04 0.91 0.12 0.00 -1.33 0.00 0.00 58.87 58.61 1aiq n SER 125 Cb 0.48 -1.09 0.29 0.00 -0.75 0.00 0.00 64.21 63.14 1aiq n SER 125 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1aiq n GLU 126 N 0.66 2.61 -2.60 -1.46 1.02 -1.26 -4.45 120.64 115.16 1aiq n GLU 126 Ca 0.12 -2.48 -0.11 0.00 -0.02 0.00 0.00 57.16 54.67 1aiq n GLU 126 Cb 0.39 -1.54 0.03 0.00 -0.02 0.00 0.00 31.44 30.30 1aiq n GLU 126 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1aiq n ARG 127 N 1.55 2.10 -2.85 3.49 1.85 -1.26 -4.97 116.66 116.56 1aiq n ARG 127 Ca 0.23 -3.68 -0.43 0.00 -1.00 0.00 0.00 57.85 52.96 1aiq n ARG 127 Cb 0.60 -1.69 -0.01 0.00 -1.05 0.00 0.00 32.46 30.30 1aiq n ARG 127 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1aiq s ILE 128 N -3.97 4.69 0.05 8.89 1.01 -1.26 -4.95 121.20 125.66 1aiq s ILE 128 Ca 0.34 -1.95 0.06 0.00 0.00 0.00 0.00 60.65 59.10 1aiq s ILE 128 Cb 0.39 -4.91 -0.02 0.00 0.01 0.00 0.00 42.46 37.93 1aiq s ILE 128 CO -0.02 -1.66 -0.16 -0.63 0.00 0.00 0.00 174.94 172.46 1aiq s ILE 129 N 2.68 1.31 -0.07 2.92 1.01 -1.26 -0.91 121.20 126.88 1aiq s ILE 129 Ca 0.41 -1.12 0.04 0.00 0.00 0.00 0.00 60.65 59.97 1aiq s ILE 129 Cb -0.02 -1.18 0.00 0.00 0.01 0.00 0.00 42.46 41.27 1aiq s ILE 129 CO -0.04 0.04 -0.18 -0.69 0.00 0.00 0.00 174.94 174.06 1aiq s VAL 130 N -0.89 1.59 -0.04 2.92 1.01 -0.55 -4.93 120.40 119.52 1aiq s VAL 130 Ca 0.03 -0.77 0.05 0.00 0.00 0.00 0.00 61.98 61.29 1aiq s VAL 130 Cb -0.08 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.90 1aiq s VAL 130 CO 0.02 0.46 -0.18 -0.55 0.00 0.00 0.00 175.10 174.84 1aiq s SER 131 N 0.31 2.28 0.00 3.32 0.15 -1.26 -1.01 113.70 117.48 1aiq s SER 131 Ca -0.12 -0.37 0.20 0.00 0.70 0.00 0.00 55.95 56.36 1aiq s SER 131 Cb -0.15 -0.56 -0.11 0.00 -1.71 0.00 0.00 66.02 63.49 1aiq s SER 131 CO 0.05 0.18 0.91 0.00 1.20 0.00 0.00 173.24 175.57 1aiq n ALA 132 N 3.02 4.00 -1.93 5.45 0.00 0.50 -4.67 120.51 126.88 1aiq n ALA 132 Ca -0.17 -0.57 -0.40 0.00 0.00 0.00 0.00 53.44 52.29 1aiq n ALA 132 Cb 0.53 -0.70 -0.02 0.00 0.00 0.00 0.00 19.45 19.25 1aiq n ALA 132 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1aiq n TRP 133 N -0.79 3.38 -2.92 0.00 -0.00 -1.17 -4.85 117.44 111.09 1aiq n TRP 133 Ca 0.06 -2.40 -0.44 0.00 -0.00 0.00 0.00 57.50 54.72 1aiq n TRP 133 Cb 0.36 -2.42 -0.03 0.00 -0.00 0.00 0.00 31.31 29.22 1aiq n TRP 133 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1aiq s ASN 134 N 4.52 6.54 0.31 5.87 3.04 -1.26 -4.90 114.94 129.06 1aiq s ASN 134 Ca 0.55 -1.86 0.08 0.00 0.04 0.00 0.00 52.86 51.68 1aiq s ASN 134 Cb 0.08 -2.40 0.87 0.00 -1.54 0.00 0.00 41.25 38.26 1aiq s ASN 134 CO 0.05 -1.13 1.70 0.58 -3.04 0.00 0.00 177.10 175.26 1aiq h VAL 135 N 5.87 0.46 0.00 -5.21 2.07 -2.01 -0.09 116.25 117.34 1aiq h VAL 135 Ca 0.08 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1aiq h VAL 135 Cb 1.03 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1aiq h VAL 135 CO 1.12 0.08 0.00 0.61 0.02 0.00 0.00 177.57 179.41 1aiq n GLY 136 N -1.32 -1.11 0.00 2.17 0.00 -1.26 -3.46 105.19 100.20 1aiq n GLY 136 Ca 0.26 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1aiq n GLY 136 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1aiq n GLU 137 N -1.28 1.43 -0.31 1.61 1.02 -0.12 -4.74 120.64 118.25 1aiq n GLU 137 Ca 0.12 -0.28 0.16 0.00 -0.02 0.00 0.00 57.16 57.14 1aiq n GLU 137 Cb 0.20 -0.75 0.34 0.00 -0.02 0.00 0.00 31.44 31.20 1aiq n GLU 137 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1aiq h LEU 138 N 0.00 0.12 -0.90 -4.62 4.07 -1.39 0.19 115.31 112.78 1aiq h LEU 138 Ca 0.00 0.20 0.00 0.00 0.08 0.00 0.00 57.88 58.16 1aiq h LEU 138 Cb 0.05 0.24 0.00 0.00 1.08 0.00 0.00 40.66 42.03 1aiq h LEU 138 CO 0.00 -0.16 0.00 -0.90 -1.08 0.00 0.00 178.44 176.30 1aiq n ASP 139 N -5.19 0.62 -0.66 -0.43 5.75 -1.26 -1.94 116.55 113.44 1aiq n ASP 139 Ca 0.24 0.69 0.12 0.00 -0.01 0.00 0.00 54.79 55.84 1aiq n ASP 139 Cb 0.77 -0.81 0.20 0.00 -1.03 0.00 0.00 41.12 40.25 1aiq n ASP 139 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1aiq n LYS 140 N -2.23 1.74 -3.31 0.11 5.02 0.66 -4.93 118.16 115.23 1aiq n LYS 140 Ca 0.01 -1.33 -0.37 0.00 -2.02 0.00 0.00 58.31 54.60 1aiq n LYS 140 Cb 0.17 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.65 1aiq n LYS 140 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1aiq s MET 141 N -2.17 4.10 0.34 1.97 -1.94 -0.82 -4.22 119.30 116.57 1aiq s MET 141 Ca 0.28 0.63 0.04 0.00 -1.71 0.00 0.00 55.69 54.93 1aiq s MET 141 Cb 0.20 -3.11 0.60 0.00 2.01 0.00 0.00 34.83 34.53 1aiq s MET 141 CO 0.40 0.57 1.87 0.00 -0.01 0.00 0.00 175.02 177.85 1aiq h ALA 142 N 4.13 1.36 -2.91 3.03 0.00 -1.41 -3.43 119.26 120.03 1aiq h ALA 142 Ca -0.49 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.07 1aiq h ALA 142 Cb 1.21 -0.15 -0.24 0.00 0.00 0.00 0.00 17.79 18.61 1aiq h ALA 142 CO 0.64 0.44 -0.34 -0.51 0.00 0.00 0.00 179.25 179.48 1aiq s LEU 143 N -9.04 0.80 0.42 0.00 1.43 -1.26 -5.08 118.68 105.96 1aiq s LEU 143 Ca -0.07 0.57 -0.24 0.00 -1.03 0.00 0.00 54.13 53.36 1aiq s LEU 143 Cb 0.15 1.11 -0.08 0.00 0.03 0.00 0.00 46.19 47.40 1aiq s LEU 143 CO 0.76 -0.15 1.10 0.00 0.23 0.00 0.00 176.35 178.30 1aiq s ALA 144 N -0.01 3.05 0.19 4.21 0.00 -1.26 -4.93 121.76 123.01 1aiq s ALA 144 Ca -0.02 0.81 -0.32 0.00 0.00 0.00 0.00 51.96 52.43 1aiq s ALA 144 Cb -0.03 -3.32 -0.15 0.00 0.00 0.00 0.00 23.12 19.63 1aiq s ALA 144 CO 0.01 -0.41 1.30 -2.30 0.00 0.00 0.00 175.76 174.36 1aiq n PRO 145 N -0.23 1.58 -0.09 0.00 -0.02 -1.26 -4.92 135.00 130.06 1aiq n PRO 145 Ca 0.06 0.56 -0.13 0.00 -2.02 0.00 0.00 63.50 61.97 1aiq n PRO 145 Cb 0.49 -2.15 -0.07 0.00 -0.02 0.00 0.00 33.50 31.75 1aiq n PRO 145 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1aiq s HIS 147 N -2.27 2.67 -0.13 0.00 0.00 -1.26 -1.58 115.29 112.73 1aiq s HIS 147 Ca -0.21 -0.31 0.20 0.00 -3.00 0.00 0.00 55.06 51.74 1aiq s HIS 147 Cb 0.04 -4.25 -0.29 0.00 -4.00 0.00 0.00 32.58 24.08 1aiq s HIS 147 CO 0.40 -1.59 0.25 0.00 -1.00 0.00 0.00 174.74 172.80 1aiq n ALA 148 N 7.80 2.07 -3.58 -1.38 0.00 -1.02 -4.80 120.51 119.59 1aiq n ALA 148 Ca -0.01 -0.99 -0.11 0.00 0.00 0.00 0.00 53.44 52.34 1aiq n ALA 148 Cb 0.47 -0.43 -0.09 0.00 0.00 0.00 0.00 19.45 19.40 1aiq n ALA 148 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1aiq s PHE 149 N -2.93 -0.74 0.01 0.00 2.19 -1.22 -0.37 117.98 114.91 1aiq s PHE 149 Ca -0.09 1.62 -0.02 0.00 0.33 0.00 0.00 56.93 58.77 1aiq s PHE 149 Cb 0.09 0.35 -0.01 0.00 -1.31 0.00 0.00 43.02 42.14 1aiq s PHE 149 CO 0.86 -0.38 0.02 -0.59 1.83 0.00 0.00 175.22 176.97 1aiq s PHE 150 N 1.01 0.15 -0.01 10.12 -0.71 -0.18 -0.96 117.98 127.40 1aiq s PHE 150 Ca -0.06 -0.31 0.03 0.00 -1.04 0.00 0.00 56.93 55.55 1aiq s PHE 150 Cb -0.06 -0.12 -0.01 0.00 -1.21 0.00 0.00 43.02 41.63 1aiq s PHE 150 CO -0.09 -0.18 -0.11 -1.14 -1.34 0.00 0.00 175.22 172.35 1aiq s GLN 151 N -1.16 0.93 0.14 1.99 0.74 -0.04 -1.48 119.66 120.78 1aiq s GLN 151 Ca -0.13 -0.41 0.03 0.00 0.05 0.00 0.00 55.36 54.90 1aiq s GLN 151 Cb -0.08 -0.90 -0.04 0.00 1.10 0.00 0.00 33.01 33.10 1aiq s GLN 151 CO -0.00 0.24 0.24 -0.06 -0.55 0.00 0.00 175.29 175.17 1aiq s PHE 152 N -0.25 3.41 -0.14 1.67 0.08 -0.08 -0.53 117.98 122.14 1aiq s PHE 152 Ca 0.04 0.10 -0.14 0.00 0.12 0.00 0.00 56.93 57.05 1aiq s PHE 152 Cb -0.05 -1.64 0.04 0.00 -0.57 0.00 0.00 43.02 40.80 1aiq s PHE 152 CO -0.00 0.52 0.40 -0.47 -0.10 0.00 0.00 175.22 175.56 1aiq s TYR 153 N -1.72 -0.42 -0.03 0.36 5.04 -0.84 -4.54 117.35 115.20 1aiq s TYR 153 Ca 0.34 1.00 0.06 0.00 -2.44 0.00 0.00 57.07 56.03 1aiq s TYR 153 Cb -0.11 0.15 -0.01 0.00 0.35 0.00 0.00 41.96 42.34 1aiq s TYR 153 CO 0.27 -0.23 -0.22 0.08 -1.34 0.00 0.00 175.55 174.11 1aiq s VAL 154 N 0.06 1.78 -0.28 3.14 1.01 -1.26 -0.99 120.40 123.85 1aiq s VAL 154 Ca -0.01 -0.95 -0.20 0.00 0.00 0.00 0.00 61.98 60.81 1aiq s VAL 154 Cb -0.03 -1.49 0.08 0.00 0.00 0.00 0.00 36.38 34.95 1aiq s VAL 154 CO 0.01 0.50 0.75 0.00 0.00 0.00 0.00 175.10 176.36 1aiq s ALA 155 N -0.39 -1.87 -1.44 5.51 0.00 -0.93 -4.89 121.76 117.75 1aiq s ALA 155 Ca 0.05 2.20 -0.07 0.00 0.00 0.00 0.00 51.96 54.14 1aiq s ALA 155 Cb -0.10 -1.35 0.04 0.00 0.00 0.00 0.00 23.12 21.71 1aiq s ALA 155 CO 0.00 -0.35 0.61 -0.25 0.00 0.00 0.00 175.76 175.77 1aiq n ASP 156 N 3.43 -5.07 -0.85 0.00 8.00 -1.26 -1.36 116.55 119.45 1aiq n ASP 156 Ca -0.17 -0.37 -0.11 0.00 0.71 0.00 0.00 54.79 54.85 1aiq n ASP 156 Cb 0.57 -4.11 -0.05 0.00 -0.02 0.00 0.00 41.12 37.51 1aiq n ASP 156 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1aiq n GLY 157 N -1.41 1.23 3.30 0.44 0.00 -1.26 -4.99 105.19 102.49 1aiq n GLY 157 Ca -0.06 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.14 1aiq n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aiq s LYS 158 N -2.93 2.11 -0.24 1.61 1.02 -0.47 -0.97 119.74 119.87 1aiq s LYS 158 Ca 0.00 -0.92 -0.14 0.00 0.02 0.00 0.00 55.97 54.93 1aiq s LYS 158 Cb 0.00 -2.02 -0.04 0.00 -0.52 0.00 0.00 37.83 35.24 1aiq s LYS 158 CO 0.00 0.54 0.33 -1.17 -0.92 0.00 0.00 175.35 174.13 1aiq s LEU 159 N -0.58 4.09 0.31 3.17 2.96 0.81 -2.19 118.68 127.26 1aiq s LEU 159 Ca 0.09 0.31 0.10 0.00 -0.22 0.00 0.00 54.13 54.41 1aiq s LEU 159 Cb -0.10 -2.37 -0.05 0.00 0.50 0.00 0.00 46.19 44.17 1aiq s LEU 159 CO -0.01 -0.09 -0.04 -0.44 -1.32 0.00 0.00 176.35 174.45 1aiq s SER 160 N 1.33 4.12 -0.14 3.68 0.01 -0.17 0.80 113.70 123.33 1aiq s SER 160 Ca 0.14 -0.93 -0.12 0.00 1.31 0.00 0.00 55.95 56.35 1aiq s SER 160 Cb -0.15 -0.55 0.04 0.00 0.21 0.00 0.00 66.02 65.57 1aiq s SER 160 CO 0.08 -0.12 0.38 0.00 0.41 0.00 0.00 173.24 173.99 1aiq s GLN 162 N 0.38 3.01 -0.09 0.00 0.74 0.31 0.15 119.66 124.16 1aiq s GLN 162 Ca -0.01 -0.86 -0.00 0.00 0.05 0.00 0.00 55.36 54.53 1aiq s GLN 162 Cb -0.04 -2.32 -0.03 0.00 1.10 0.00 0.00 33.01 31.73 1aiq s GLN 162 CO -0.01 0.13 -0.07 -1.17 -0.55 0.00 0.00 175.29 173.61 1aiq s LEU 163 N 0.47 3.13 -0.32 3.68 2.96 0.13 -0.86 118.68 127.86 1aiq s LEU 163 Ca -0.16 -0.09 -0.08 0.00 -0.22 0.00 0.00 54.13 53.58 1aiq s LEU 163 Cb -0.17 -1.70 0.01 0.00 0.50 0.00 0.00 46.19 44.83 1aiq s LEU 163 CO 0.06 0.29 0.13 -0.47 -1.32 0.00 0.00 176.35 175.05 1aiq s TYR 164 N -0.40 3.19 -0.39 5.38 5.04 -0.14 -0.61 117.35 129.42 1aiq s TYR 164 Ca 0.06 -0.94 -0.10 0.00 -2.44 0.00 0.00 57.07 53.64 1aiq s TYR 164 Cb -0.12 -2.33 0.05 0.00 0.35 0.00 0.00 41.96 39.91 1aiq s TYR 164 CO 0.02 -0.59 0.23 -1.14 -1.34 0.00 0.00 175.55 172.73 1aiq s GLN 165 N 1.52 2.73 0.35 4.97 0.74 0.58 -2.44 119.66 128.12 1aiq s GLN 165 Ca 0.02 -1.24 0.03 0.00 0.05 0.00 0.00 55.36 54.22 1aiq s GLN 165 Cb -0.18 -3.75 0.65 0.00 1.10 0.00 0.00 33.01 30.83 1aiq s GLN 165 CO 0.04 -0.81 1.98 0.07 -0.55 0.00 0.00 175.29 176.03 1aiq h ARG 166 N 8.43 0.72 -3.83 1.67 -0.00 -1.59 0.12 114.38 119.90 1aiq h ARG 166 Ca -0.24 -0.07 -0.29 0.00 -0.00 0.00 0.00 59.98 59.38 1aiq h ARG 166 Cb 1.09 -0.15 -0.30 0.00 -0.00 0.00 0.00 29.97 30.61 1aiq h ARG 166 CO 0.71 0.53 -0.74 0.45 -0.00 0.00 0.00 179.97 180.92 1aiq s SER 167 N -6.57 0.24 -0.05 0.08 0.15 -1.25 -0.87 113.70 105.42 1aiq s SER 167 Ca -0.09 -0.02 -0.01 0.00 0.70 0.00 0.00 55.95 56.52 1aiq s SER 167 Cb 0.17 -0.08 0.03 0.00 -1.71 0.00 0.00 66.02 64.43 1aiq s SER 167 CO 0.76 -0.03 0.02 0.00 1.20 0.00 0.00 173.24 175.20 1aiq s ASP 169 N 1.88 6.25 0.18 0.00 -1.08 -1.26 -1.38 116.67 121.26 1aiq s ASP 169 Ca 0.03 -0.67 -0.14 0.00 -0.52 0.00 0.00 52.55 51.25 1aiq s ASP 169 Cb -0.12 -2.42 0.11 0.00 -1.46 0.00 0.00 42.92 39.02 1aiq s ASP 169 CO -0.04 -1.32 1.80 0.58 0.52 0.00 0.00 175.17 176.71 1aiq h VAL 170 N 5.99 1.00 -0.00 1.11 2.07 -1.32 -1.39 116.25 123.71 1aiq h VAL 170 Ca -0.27 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.01 1aiq h VAL 170 Cb 1.07 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1aiq h VAL 170 CO 1.13 0.10 -0.21 0.15 0.02 0.00 0.00 177.57 178.75 1aiq h PHE 171 N 0.54 0.22 0.00 1.57 3.04 -1.92 -3.35 116.94 117.04 1aiq h PHE 171 Ca 0.21 -0.12 -0.10 0.00 3.98 0.00 0.00 57.97 61.94 1aiq h PHE 171 Cb 0.08 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.55 1aiq h PHE 171 CO -0.08 0.91 -0.60 1.25 -2.02 0.00 0.00 178.31 177.76 1aiq h LEU 172 N -0.53 0.00 0.01 0.59 5.85 -1.96 -3.44 115.31 115.83 1aiq h LEU 172 Ca -0.03 -0.54 -0.02 0.00 0.84 0.00 0.00 57.88 58.13 1aiq h LEU 172 Cb 0.97 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.99 1aiq h LEU 172 CO 0.04 1.11 -0.13 1.23 -0.34 0.00 0.00 178.44 180.36 1aiq h GLY 173 N -1.00 0.02 -0.77 3.75 0.00 -1.52 -3.40 103.07 100.15 1aiq h GLY 173 Ca -0.15 -0.04 0.18 0.00 0.00 0.00 0.00 47.33 47.32 1aiq h GLY 173 CO -0.09 0.04 -0.20 -2.00 0.00 0.00 0.00 176.54 174.29 1aiq h LEU 174 N -0.97 -0.78 -1.25 3.11 5.85 -1.47 0.13 115.31 119.94 1aiq h LEU 174 Ca -0.03 0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.99 1aiq h LEU 174 Cb 1.05 0.54 -0.05 0.00 0.37 0.00 0.00 40.66 42.57 1aiq h LEU 174 CO -0.01 -0.29 0.52 -0.65 -0.34 0.00 0.00 178.44 177.68 1aiq h PRO 175 N 0.01 0.95 0.19 5.25 0.11 -1.78 0.27 132.00 136.99 1aiq h PRO 175 Ca 0.44 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.48 1aiq h PRO 175 Cb 0.69 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.59 1aiq h PRO 175 CO -0.90 0.63 -0.09 0.74 -0.21 0.00 0.00 178.00 178.16 1aiq h PHE 176 N 0.98 -0.24 -0.81 0.65 -1.00 -1.01 -2.64 116.94 112.86 1aiq h PHE 176 Ca 0.32 -0.01 0.05 0.00 2.81 0.00 0.00 57.97 61.15 1aiq h PHE 176 Cb 0.05 0.08 -0.06 0.00 3.61 0.00 0.00 35.95 39.63 1aiq h PHE 176 CO -0.00 0.10 0.50 -0.91 -1.61 0.00 0.00 178.31 176.39 1aiq h ASN 177 N -0.59 0.80 0.15 2.17 -0.26 -0.69 -1.29 115.58 115.87 1aiq h ASN 177 Ca -0.03 0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.72 1aiq h ASN 177 Cb 0.44 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.54 1aiq h ASN 177 CO 0.04 0.52 -0.07 0.40 -1.06 0.00 0.00 177.43 177.27 1aiq h ILE 178 N 0.94 0.93 -1.01 2.81 2.04 -0.98 -2.38 117.51 119.86 1aiq h ILE 178 Ca 0.35 -0.31 0.01 0.00 1.00 0.00 0.00 64.86 65.91 1aiq h ILE 178 Cb 0.12 1.12 -0.05 0.00 -0.74 0.00 0.00 36.82 37.28 1aiq h ILE 178 CO -0.16 0.07 0.67 0.00 0.00 0.00 0.00 178.15 178.73 1aiq h ALA 179 N 0.49 1.29 0.11 1.87 0.00 -1.26 -2.29 119.26 119.47 1aiq h ALA 179 Ca -0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1aiq h ALA 179 Cb 0.27 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1aiq h ALA 179 CO 0.03 0.65 -0.05 1.03 0.00 0.00 0.00 179.25 180.91 1aiq h SER 180 N 1.35 -0.13 -0.60 0.00 0.87 -1.15 -1.95 113.55 111.95 1aiq h SER 180 Ca 0.37 -0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.84 1aiq h SER 180 Cb -0.14 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 1aiq h SER 180 CO -0.09 -0.08 0.06 1.88 -0.53 0.00 0.00 176.83 178.08 1aiq h TYR 181 N -0.17 1.10 -0.32 2.24 -1.99 -1.20 -1.39 116.97 115.24 1aiq h TYR 181 Ca -0.02 -0.17 -0.01 0.00 2.00 0.00 0.00 58.73 60.54 1aiq h TYR 181 Cb 0.13 -0.30 -0.02 0.00 2.00 0.00 0.00 36.73 38.55 1aiq h TYR 181 CO -0.07 0.96 0.17 0.00 -0.00 0.00 0.00 178.16 179.23 1aiq h ALA 182 N 1.00 1.70 -0.21 3.88 0.00 -1.37 0.14 119.26 124.41 1aiq h ALA 182 Ca 0.18 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1aiq h ALA 182 Cb 0.48 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1aiq h ALA 182 CO 0.02 0.25 -0.02 1.25 0.00 0.00 0.00 179.25 180.76 1aiq h LEU 183 N 0.44 0.38 -0.91 0.00 5.85 -0.80 -2.07 115.31 118.20 1aiq h LEU 183 Ca 0.12 -0.33 0.01 0.00 0.84 0.00 0.00 57.88 58.51 1aiq h LEU 183 Cb 0.02 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 1aiq h LEU 183 CO -0.02 0.62 0.60 0.25 -0.34 0.00 0.00 178.44 179.55 1aiq h LEU 184 N 0.13 1.05 -0.43 2.25 5.85 -0.14 -1.78 115.31 122.24 1aiq h LEU 184 Ca 0.06 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1aiq h LEU 184 Cb 0.43 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1aiq h LEU 184 CO 0.01 0.76 0.28 0.58 -0.34 0.00 0.00 178.44 179.74 1aiq h VAL 185 N 1.24 1.11 -0.91 1.05 2.07 -0.56 -0.11 116.25 120.15 1aiq h VAL 185 Ca 0.33 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.67 1aiq h VAL 185 Cb -0.14 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.07 1aiq h VAL 185 CO -0.07 0.11 0.60 0.45 0.02 0.00 0.00 177.57 178.67 1aiq h HIS 186 N 0.58 1.12 -0.35 1.57 3.86 -0.95 0.00 115.15 120.99 1aiq h HIS 186 Ca 0.16 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.31 1aiq h HIS 186 Cb -0.06 -0.38 -0.01 0.00 1.06 0.00 0.00 27.41 28.02 1aiq h HIS 186 CO -0.04 0.67 -0.10 0.52 0.86 0.00 0.00 177.93 179.84 1aiq h MET 187 N 1.18 0.68 -0.17 2.45 2.07 -0.85 -0.70 114.93 119.59 1aiq h MET 187 Ca 0.35 -0.27 -0.01 0.00 -2.07 0.00 0.00 59.70 57.70 1aiq h MET 187 Cb -0.06 -0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 29.63 1aiq h MET 187 CO -0.10 0.85 0.06 0.52 1.07 0.00 0.00 176.91 179.32 1aiq h MET 188 N 0.47 0.26 -0.56 1.72 2.86 -0.76 -1.50 114.93 117.41 1aiq h MET 188 Ca 0.09 -0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.72 1aiq h MET 188 Cb 0.61 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.19 1aiq h MET 188 CO 0.04 0.36 0.31 0.00 1.06 0.00 0.00 176.91 178.68 1aiq h ALA 189 N 0.89 0.73 -0.86 6.32 0.00 -0.94 -1.75 119.26 123.64 1aiq h ALA 189 Ca 0.06 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1aiq h ALA 189 Cb 0.20 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1aiq h ALA 189 CO -0.00 -0.01 0.45 0.37 0.00 0.00 0.00 179.25 180.05 1aiq h GLN 190 N 0.60 1.21 0.00 0.00 4.15 -0.93 -0.72 115.11 119.42 1aiq h GLN 190 Ca 0.24 -0.16 -0.04 0.00 0.77 0.00 0.00 58.65 59.47 1aiq h GLN 190 Cb 0.11 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 1aiq h GLN 190 CO -0.14 0.91 -0.17 1.96 -1.93 0.00 0.00 178.83 179.45 1aiq h GLN 191 N 1.21 0.00 -0.40 1.69 1.08 -0.56 -3.13 115.11 115.00 1aiq h GLN 191 Ca 0.30 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.50 1aiq h GLN 191 Cb 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 1aiq h GLN 191 CO -0.04 0.17 0.00 0.00 -0.95 0.00 0.00 178.83 178.01 1aiq n ASP 193 N 0.50 -2.01 -4.59 0.00 8.00 -0.61 -4.98 116.55 112.87 1aiq n ASP 193 Ca 0.16 -0.86 -0.26 0.00 0.71 0.00 0.00 54.79 54.54 1aiq n ASP 193 Cb 0.57 -3.73 -0.10 0.00 -0.02 0.00 0.00 41.12 37.84 1aiq n ASP 193 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1aiq s LEU 194 N -6.92 2.84 0.37 0.64 1.43 -0.38 -5.05 118.68 111.61 1aiq s LEU 194 Ca 0.21 -1.16 0.01 0.00 -1.03 0.00 0.00 54.13 52.17 1aiq s LEU 194 Cb -0.11 -1.11 -0.02 0.00 0.03 0.00 0.00 46.19 44.98 1aiq s LEU 194 CO 0.84 -0.26 0.57 -1.61 0.23 0.00 0.00 176.35 176.11 1aiq s GLU 195 N -3.67 3.31 0.18 1.70 0.41 -0.14 -4.42 118.70 116.07 1aiq s GLU 195 Ca 0.34 -0.48 -0.23 0.00 -0.41 0.00 0.00 54.97 54.18 1aiq s GLU 195 Cb 0.03 -2.66 -0.08 0.00 -1.78 0.00 0.00 34.13 29.64 1aiq s GLU 195 CO 0.18 0.03 0.75 0.14 -0.49 0.00 0.00 175.26 175.87 1aiq s VAL 196 N -2.35 4.45 0.00 2.63 -7.23 -1.26 -0.13 120.40 116.50 1aiq s VAL 196 Ca 0.43 1.55 0.00 0.00 -1.81 0.00 0.00 61.98 62.15 1aiq s VAL 196 Cb -0.10 -4.04 0.00 0.00 0.56 0.00 0.00 36.38 32.81 1aiq s VAL 196 CO 0.36 0.43 0.00 0.61 -0.31 0.00 0.00 175.10 176.18 1aiq n GLY 197 N 1.33 1.10 3.80 2.32 0.00 0.24 -4.60 105.19 109.38 1aiq n GLY 197 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 1aiq n GLY 197 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1aiq s ASP 198 N -0.07 5.72 -0.25 1.61 1.01 -1.25 -0.86 116.67 122.57 1aiq s ASP 198 Ca 0.00 0.11 -0.05 0.00 0.71 0.00 0.00 52.55 53.32 1aiq s ASP 198 Cb 0.00 -1.63 -0.00 0.00 1.01 0.00 0.00 42.92 42.30 1aiq s ASP 198 CO 0.00 0.22 0.01 0.12 0.21 0.00 0.00 175.17 175.73 1aiq s PHE 199 N -1.30 3.04 -0.24 4.23 5.36 -0.18 -1.17 117.98 127.73 1aiq s PHE 199 Ca 0.27 -0.91 -0.08 0.00 -0.96 0.00 0.00 56.93 55.25 1aiq s PHE 199 Cb -0.12 -2.16 -0.04 0.00 -0.34 0.00 0.00 43.02 40.36 1aiq s PHE 199 CO 0.19 -0.54 0.09 0.08 -1.46 0.00 0.00 175.22 173.58 1aiq s VAL 200 N 1.50 4.63 -0.22 3.12 1.01 0.12 -0.89 120.40 129.67 1aiq s VAL 200 Ca 0.04 -0.07 -0.07 0.00 0.00 0.00 0.00 61.98 61.88 1aiq s VAL 200 Cb -0.15 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 1aiq s VAL 200 CO -0.01 0.35 0.07 0.86 0.00 0.00 0.00 175.10 176.38 1aiq s TRP 201 N 1.30 3.15 -0.08 5.22 -0.00 0.80 -0.69 118.94 128.64 1aiq s TRP 201 Ca 0.05 -0.17 0.05 0.00 -0.00 0.00 0.00 56.10 56.03 1aiq s TRP 201 Cb -0.15 -2.17 -0.00 0.00 -0.00 0.00 0.00 33.47 31.15 1aiq s TRP 201 CO 0.04 -0.13 -0.23 0.99 -0.00 0.00 0.00 176.95 177.62 1aiq s THR 202 N 1.08 1.96 0.14 5.86 2.01 0.22 -1.13 115.64 125.79 1aiq s THR 202 Ca 0.04 -0.99 0.10 0.00 0.31 0.00 0.00 61.69 61.16 1aiq s THR 202 Cb -0.14 -1.68 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 1aiq s THR 202 CO 0.03 0.54 -0.23 -0.83 -0.69 0.00 0.00 174.62 173.44 1aiq s GLY 203 N 0.11 1.64 0.00 4.40 0.00 -0.49 -0.31 107.32 112.68 1aiq s GLY 203 Ca -0.11 -1.46 0.00 0.00 0.00 0.00 0.00 44.72 43.15 1aiq s GLY 203 CO 0.06 -1.45 0.00 0.61 0.00 0.00 0.00 173.10 172.32 1aiq n GLY 204 N 0.74 0.45 3.56 0.20 0.00 0.43 -2.78 105.19 107.80 1aiq n GLY 204 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 1aiq n GLY 204 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1aiq s ASP 205 N -1.00 6.09 -0.29 1.61 -1.08 -0.05 -2.03 116.67 119.93 1aiq s ASP 205 Ca 0.00 -0.15 -0.06 0.00 -0.52 0.00 0.00 52.55 51.82 1aiq s ASP 205 Cb 0.00 -2.55 0.01 0.00 -1.46 0.00 0.00 42.92 38.91 1aiq s ASP 205 CO 0.00 -1.83 0.06 -0.89 0.52 0.00 0.00 175.17 173.03 1aiq s THR 206 N 6.08 3.87 0.15 1.71 2.01 -0.54 -0.25 115.64 128.68 1aiq s THR 206 Ca 0.43 -0.68 -0.00 0.00 0.31 0.00 0.00 61.69 61.75 1aiq s THR 206 Cb -0.09 -2.98 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 1aiq s THR 206 CO 0.19 0.12 0.06 -1.38 -0.69 0.00 0.00 174.62 172.91 1aiq s HIS 207 N 1.49 0.98 -0.10 4.92 -3.43 -0.48 -1.28 115.29 117.40 1aiq s HIS 207 Ca 0.03 -1.21 0.04 0.00 -0.80 0.00 0.00 55.06 53.11 1aiq s HIS 207 Cb -0.17 -0.54 0.00 0.00 -1.43 0.00 0.00 32.58 30.44 1aiq s HIS 207 CO 0.02 -0.47 -0.23 -0.51 -2.00 0.00 0.00 174.74 171.54 1aiq s LEU 208 N -3.09 2.07 0.50 5.38 1.02 -0.29 -0.72 118.68 123.54 1aiq s LEU 208 Ca 0.26 -0.55 -0.20 0.00 0.02 0.00 0.00 54.13 53.67 1aiq s LEU 208 Cb 0.07 -1.38 -0.08 0.00 0.02 0.00 0.00 46.19 44.82 1aiq s LEU 208 CO 0.04 0.15 1.04 -0.31 0.02 0.00 0.00 176.35 177.29 1aiq s TYR 209 N 0.38 2.98 0.35 0.29 2.02 -1.26 -0.32 117.35 121.79 1aiq s TYR 209 Ca -0.18 1.57 0.08 0.00 -0.37 0.00 0.00 57.07 58.17 1aiq s TYR 209 Cb -0.18 -3.07 0.79 0.00 -0.40 0.00 0.00 41.96 39.10 1aiq s TYR 209 CO 0.08 -0.89 1.88 0.77 -1.57 0.00 0.00 175.55 175.82 1aiq h SER 210 N 1.45 0.68 -0.31 2.29 0.02 -0.91 -1.49 113.55 115.28 1aiq h SER 210 Ca -0.49 0.04 -0.15 0.00 -0.84 0.00 0.00 61.79 60.34 1aiq h SER 210 Cb 1.22 -0.10 -0.09 0.00 0.14 0.00 0.00 62.40 63.57 1aiq h SER 210 CO 0.59 0.36 0.19 -0.46 -1.14 0.00 0.00 176.83 176.36 1aiq n ASN 211 N -4.55 3.16 0.00 3.07 6.94 -1.26 -3.28 115.26 119.33 1aiq n ASN 211 Ca 0.17 -2.49 0.00 0.00 -0.02 0.00 0.00 54.58 52.23 1aiq n ASN 211 Cb 0.43 -0.60 0.00 0.00 -2.36 0.00 0.00 39.78 37.24 1aiq n ASN 211 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1aiq n HIS 212 N -0.00 0.00 -0.04 -2.53 8.25 -0.56 -4.66 115.22 115.68 1aiq n HIS 212 Ca 0.18 -0.08 -0.09 0.00 -0.26 0.00 0.00 57.72 57.47 1aiq n HIS 212 Cb 0.84 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.91 1aiq n HIS 212 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 1aiq h MET 213 N 0.00 0.00 -0.58 -0.41 2.86 -1.66 -0.67 114.93 114.47 1aiq h MET 213 Ca 0.00 -0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1aiq h MET 213 Cb 0.38 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 1aiq h MET 213 CO 0.00 0.00 0.17 -0.44 1.06 0.00 0.00 176.91 177.70 1aiq h ASP 214 N 0.00 0.85 -0.85 1.22 3.32 -1.89 -1.52 116.42 117.56 1aiq h ASP 214 Ca 0.09 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 1aiq h ASP 214 Cb 0.14 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 1aiq h ASP 214 CO -0.20 0.84 0.49 1.56 -1.72 0.00 0.00 179.24 180.22 1aiq h GLN 215 N 0.82 1.17 -0.06 3.56 7.50 -1.87 -0.42 115.11 125.81 1aiq h GLN 215 Ca 0.19 -0.12 -0.00 0.00 0.50 0.00 0.00 58.65 59.21 1aiq h GLN 215 Cb 0.30 -0.24 -0.00 0.00 0.05 0.00 0.00 27.48 27.59 1aiq h GLN 215 CO -0.00 0.84 0.04 1.15 -1.50 0.00 0.00 178.83 179.35 1aiq h THR 216 N 1.18 1.07 -0.19 -0.54 2.02 -0.78 -0.24 112.91 115.42 1aiq h THR 216 Ca 0.30 -0.18 -0.08 0.00 0.77 0.00 0.00 66.41 67.22 1aiq h THR 216 Cb -0.01 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1aiq h THR 216 CO -0.05 0.06 -0.24 0.45 0.37 0.00 0.00 175.52 176.10 1aiq h HIS 217 N 0.03 0.37 0.32 3.16 3.86 -1.07 0.04 115.15 121.87 1aiq h HIS 217 Ca 0.02 -0.07 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 1aiq h HIS 217 Cb 0.06 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.44 1aiq h HIS 217 CO -0.05 0.56 -0.15 1.25 0.86 0.00 0.00 177.93 180.39 1aiq h LEU 218 N 0.31 -0.37 -0.18 2.43 5.85 -0.78 -2.55 115.31 120.02 1aiq h LEU 218 Ca 0.05 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.78 1aiq h LEU 218 Cb 0.59 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 1aiq h LEU 218 CO 0.04 -0.22 -0.04 -0.61 -0.34 0.00 0.00 178.44 177.28 1aiq h GLN 219 N -0.48 0.01 -0.36 1.25 4.15 -0.77 -2.02 115.11 116.89 1aiq h GLN 219 Ca -0.04 -0.00 0.10 0.00 0.77 0.00 0.00 58.65 59.48 1aiq h GLN 219 Cb 0.37 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 1aiq h GLN 219 CO 0.07 0.01 0.38 -0.07 -1.93 0.00 0.00 178.83 177.29 1aiq h LEU 220 N 0.01 0.00 0.00 -2.39 4.07 -0.88 0.59 115.31 116.71 1aiq h LEU 220 Ca 0.09 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.05 1aiq h LEU 220 Cb 0.13 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.87 1aiq h LEU 220 CO -0.18 0.00 0.00 -1.54 -1.08 0.00 0.00 178.44 175.64 1aiq n SER 221 N -3.78 0.00 -4.75 -0.43 3.41 -0.76 -4.85 113.62 102.47 1aiq n SER 221 Ca 0.06 -1.06 -0.29 0.00 -0.26 0.00 0.00 58.87 57.32 1aiq n SER 221 Cb 0.54 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.42 1aiq n SER 221 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1aiq s ARG 222 N -2.00 2.75 -0.14 4.33 0.52 0.20 -5.10 118.95 119.50 1aiq s ARG 222 Ca 0.42 -0.82 -0.15 0.00 -0.52 0.00 0.00 55.73 54.66 1aiq s ARG 222 Cb 0.19 -2.62 -0.04 0.00 0.52 0.00 0.00 34.95 33.00 1aiq s ARG 222 CO 0.32 0.53 0.36 -1.21 0.02 0.00 0.00 175.30 175.32 1aiq s GLU 223 N -2.61 4.28 0.80 3.54 0.41 -1.26 -5.02 118.70 118.84 1aiq s GLU 223 Ca 0.29 0.23 -0.13 0.00 -0.41 0.00 0.00 54.97 54.94 1aiq s GLU 223 Cb -0.11 -3.42 0.08 0.00 -1.78 0.00 0.00 34.13 28.90 1aiq s GLU 223 CO 0.21 0.22 1.20 -2.14 -0.49 0.00 0.00 175.26 174.26 1aiq s PRO 224 N 0.49 1.67 0.46 0.39 0.02 -1.26 -4.82 135.00 131.95 1aiq s PRO 224 Ca 0.20 1.72 0.07 0.00 0.02 0.00 0.00 61.00 63.01 1aiq s PRO 224 Cb -0.14 -1.78 -0.00 0.00 0.02 0.00 0.00 34.50 32.60 1aiq s PRO 224 CO 0.06 -2.18 0.39 1.03 -0.33 0.00 0.00 177.00 175.97 1aiq s ARG 225 N -4.18 2.41 0.32 5.54 0.52 -1.26 -5.04 118.95 117.27 1aiq s ARG 225 Ca 0.72 -1.70 -0.29 0.00 -0.52 0.00 0.00 55.73 53.94 1aiq s ARG 225 Cb -0.28 -2.28 -0.12 0.00 0.52 0.00 0.00 34.95 32.80 1aiq s ARG 225 CO 0.51 -0.34 1.50 -2.30 0.02 0.00 0.00 175.30 174.68 1aiq n PRO 226 N -1.62 2.54 -1.90 3.54 -0.02 -1.26 -4.92 135.00 131.37 1aiq n PRO 226 Ca 0.02 0.90 -0.39 0.00 -2.02 0.00 0.00 63.50 62.02 1aiq n PRO 226 Cb 0.63 -2.62 0.02 0.00 -0.02 0.00 0.00 33.50 31.50 1aiq n PRO 226 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1aiq s LEU 227 N -1.02 4.01 1.02 2.45 1.43 -1.26 -4.80 118.68 120.49 1aiq s LEU 227 Ca 0.60 2.73 -0.16 0.00 -1.03 0.00 0.00 54.13 56.26 1aiq s LEU 227 Cb -0.52 -4.11 0.21 0.00 0.03 0.00 0.00 46.19 41.80 1aiq s LEU 227 CO 0.56 -1.25 1.25 -2.16 0.23 0.00 0.00 176.35 174.97 1aiq s PRO 228 N -2.64 0.23 -0.02 1.29 0.04 -1.25 -4.74 135.00 127.91 1aiq s PRO 228 Ca 0.65 -0.25 0.07 0.00 0.04 0.00 0.00 61.00 61.51 1aiq s PRO 228 Cb -0.39 -1.78 -0.02 0.00 0.04 0.00 0.00 34.50 32.35 1aiq s PRO 228 CO 0.48 -2.71 -0.23 0.15 0.04 0.00 0.00 177.00 174.73 1aiq s LYS 229 N -5.71 1.90 -0.21 4.56 -0.14 -0.18 -0.32 119.74 119.64 1aiq s LYS 229 Ca 0.72 -0.81 -0.11 0.00 -1.36 0.00 0.00 55.97 54.41 1aiq s LYS 229 Cb -0.06 -1.80 -0.05 0.00 -1.68 0.00 0.00 37.83 34.23 1aiq s LYS 229 CO 0.54 0.47 0.17 -1.17 -0.76 0.00 0.00 175.35 174.59 1aiq s LEU 230 N -0.47 4.18 -0.17 3.17 0.20 -1.26 -0.58 118.68 123.75 1aiq s LEU 230 Ca 0.07 0.23 0.01 0.00 0.69 0.00 0.00 54.13 55.13 1aiq s LEU 230 Cb -0.09 -2.15 0.02 0.00 -0.43 0.00 0.00 46.19 43.54 1aiq s LEU 230 CO -0.00 0.12 -0.17 -0.63 -0.29 0.00 0.00 176.35 175.37 1aiq s ILE 231 N 0.65 1.85 -0.30 6.68 -1.09 0.10 -4.99 121.20 124.10 1aiq s ILE 231 Ca 0.09 -0.82 -0.12 0.00 -2.23 0.00 0.00 60.65 57.57 1aiq s ILE 231 Cb -0.12 -1.70 -0.04 0.00 -1.58 0.00 0.00 42.46 39.02 1aiq s ILE 231 CO 0.01 0.49 0.23 -0.63 -1.23 0.00 0.00 174.94 173.81 1aiq s ILE 232 N 1.37 5.29 -2.03 2.92 1.01 -1.26 -0.77 121.20 127.73 1aiq s ILE 232 Ca 0.05 0.11 0.09 0.00 0.00 0.00 0.00 60.65 60.90 1aiq s ILE 232 Cb -0.13 -3.60 0.24 0.00 0.01 0.00 0.00 42.46 38.98 1aiq s ILE 232 CO -0.12 0.17 1.24 0.29 0.00 0.00 0.00 174.94 176.52 1aiq n LYS 233 N 5.11 1.47 -3.59 2.79 5.02 0.89 -4.91 118.16 124.94 1aiq n LYS 233 Ca -0.13 -0.73 -0.05 0.00 -2.02 0.00 0.00 58.31 55.38 1aiq n LYS 233 Cb 0.51 -1.20 -0.02 0.00 -0.02 0.00 0.00 35.03 34.31 1aiq n LYS 233 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1aiq s ARG 234 N -1.75 0.66 -0.52 1.97 3.52 -1.26 -5.06 118.95 116.50 1aiq s ARG 234 Ca 0.17 -0.29 0.04 0.00 -0.13 0.00 0.00 55.73 55.52 1aiq s ARG 234 Cb 0.09 0.27 0.13 0.00 -1.56 0.00 0.00 34.95 33.88 1aiq s ARG 234 CO 0.12 -0.29 0.27 0.21 -0.81 0.00 0.00 175.30 174.80 1aiq s LYS 235 N -2.82 1.94 0.95 5.12 2.20 -1.26 -5.10 119.74 120.77 1aiq s LYS 235 Ca 0.09 -2.61 -0.11 0.00 -0.36 0.00 0.00 55.97 52.97 1aiq s LYS 235 Cb -0.00 -3.22 0.11 0.00 -1.51 0.00 0.00 37.83 33.21 1aiq s LYS 235 CO -0.05 -1.13 0.83 -2.30 -0.36 0.00 0.00 175.35 172.34 1aiq n PRO 236 N 3.07 -0.51 0.19 4.03 -0.02 -1.26 -4.88 135.00 135.61 1aiq n PRO 236 Ca 0.06 -0.10 0.14 0.00 -2.02 0.00 0.00 63.50 61.59 1aiq n PRO 236 Cb 0.33 -2.15 0.51 0.00 -0.02 0.00 0.00 33.50 32.16 1aiq n PRO 236 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1aiq h GLU 237 N -1.81 0.00 -2.95 -0.52 4.39 -1.99 -3.45 114.58 108.25 1aiq h GLU 237 Ca -0.44 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.16 1aiq h GLU 237 Cb 1.28 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 29.75 1aiq h GLU 237 CO 0.39 0.00 -0.16 -1.54 -1.16 0.00 0.00 179.01 176.54 1aiq s SER 238 N -5.09 -0.27 0.42 1.42 1.04 -1.26 -5.01 113.70 104.96 1aiq s SER 238 Ca 0.04 0.09 0.25 0.00 0.48 0.00 0.00 55.95 56.81 1aiq s SER 238 Cb 0.09 0.38 1.38 0.00 0.10 0.00 0.00 66.02 67.97 1aiq s SER 238 CO 0.51 -0.57 1.76 -0.29 0.98 0.00 0.00 173.24 175.64 1aiq h ILE 239 N 3.37 0.00 -0.02 -1.02 2.10 -1.94 0.13 117.51 120.13 1aiq h ILE 239 Ca -0.30 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.64 1aiq h ILE 239 Cb 1.19 0.56 0.00 0.00 -1.09 0.00 0.00 36.82 37.48 1aiq h ILE 239 CO 0.42 0.00 0.00 0.49 -1.08 0.00 0.00 178.15 177.98 1aiq n PHE 240 N -2.44 0.00 0.13 2.19 3.72 -1.26 -4.20 117.46 115.60 1aiq n PHE 240 Ca -0.02 -0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.47 1aiq n PHE 240 Cb 0.13 0.00 0.18 0.00 -0.94 0.00 0.00 39.48 38.85 1aiq n PHE 240 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1aiq n ASP 241 N 0.38 3.13 -4.74 4.37 8.00 0.45 -4.98 116.55 123.15 1aiq n ASP 241 Ca 0.18 -1.91 -0.34 0.00 0.71 0.00 0.00 54.79 53.44 1aiq n ASP 241 Cb 0.40 -0.23 0.07 0.00 -0.02 0.00 0.00 41.12 41.34 1aiq n ASP 241 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1aiq s TYR 242 N -1.21 2.31 0.14 1.24 1.51 -1.26 -4.92 117.35 115.16 1aiq s TYR 242 Ca 0.32 1.58 0.07 0.00 -1.01 0.00 0.00 57.07 58.03 1aiq s TYR 242 Cb 0.18 -3.33 -0.04 0.00 -0.11 0.00 0.00 41.96 38.66 1aiq s TYR 242 CO 0.25 -2.18 -0.16 1.03 -1.11 0.00 0.00 175.55 173.38 1aiq s ARG 243 N -3.99 1.14 0.29 -0.62 0.52 -1.26 -5.03 118.95 110.00 1aiq s ARG 243 Ca 0.71 -1.30 0.04 0.00 -0.52 0.00 0.00 55.73 54.65 1aiq s ARG 243 Cb -0.25 -1.12 0.70 0.00 0.52 0.00 0.00 34.95 34.81 1aiq s ARG 243 CO 0.43 0.22 1.73 0.35 0.02 0.00 0.00 175.30 178.05 1aiq h PHE 244 N 3.44 0.78 0.00 -0.53 3.57 -1.97 -0.57 116.94 121.67 1aiq h PHE 244 Ca -0.41 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.13 1aiq h PHE 244 Cb 1.20 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.73 1aiq h PHE 244 CO 0.66 0.06 0.00 -0.85 -2.23 0.00 0.00 178.31 175.95 1aiq n GLU 245 N -4.95 0.40 0.03 1.11 0.00 -1.26 -2.83 120.64 113.15 1aiq n GLU 245 Ca 0.22 0.06 0.12 0.00 0.00 0.00 0.00 57.16 57.56 1aiq n GLU 245 Cb 0.60 -1.50 0.50 0.00 0.00 0.00 0.00 31.44 31.05 1aiq n GLU 245 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1aiq n ASP 246 N -1.21 0.20 -4.67 -1.84 8.00 -0.22 -4.79 116.55 112.01 1aiq n ASP 246 Ca 0.12 0.53 -0.33 0.00 0.71 0.00 0.00 54.79 55.81 1aiq n ASP 246 Cb 0.15 -0.58 -0.09 0.00 -0.02 0.00 0.00 41.12 40.58 1aiq n ASP 246 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1aiq s PHE 247 N -3.04 3.09 -0.05 1.24 0.08 -1.13 -0.07 117.98 118.10 1aiq s PHE 247 Ca 0.11 0.11 -0.02 0.00 0.12 0.00 0.00 56.93 57.25 1aiq s PHE 247 Cb 0.15 -1.71 0.04 0.00 -0.57 0.00 0.00 43.02 40.92 1aiq s PHE 247 CO 0.47 0.45 0.10 -2.00 -0.10 0.00 0.00 175.22 174.14 1aiq s GLU 248 N -1.27 0.02 -0.21 0.44 2.56 0.05 -4.98 118.70 115.32 1aiq s GLU 248 Ca 0.17 0.32 -0.06 0.00 0.00 0.00 0.00 54.97 55.40 1aiq s GLU 248 Cb -0.11 -0.24 -0.03 0.00 2.00 0.00 0.00 34.13 35.75 1aiq s GLU 248 CO 0.07 -0.19 0.02 0.42 -0.56 0.00 0.00 175.26 175.02 1aiq s ILE 249 N 1.31 4.13 0.05 -3.70 1.09 -1.26 0.00 121.20 122.83 1aiq s ILE 249 Ca -0.07 -0.25 0.05 0.00 -1.10 0.00 0.00 60.65 59.28 1aiq s ILE 249 Cb -0.12 -2.88 -0.04 0.00 -1.06 0.00 0.00 42.46 38.36 1aiq s ILE 249 CO -0.05 0.42 -0.09 -1.61 -0.10 0.00 0.00 174.94 173.51 1aiq s GLU 250 N 1.02 2.33 -1.11 2.79 0.41 0.25 -4.71 118.70 119.68 1aiq s GLU 250 Ca 0.02 -0.88 -0.01 0.00 -0.41 0.00 0.00 54.97 53.70 1aiq s GLU 250 Cb -0.14 -2.39 0.00 0.00 -1.78 0.00 0.00 34.13 29.82 1aiq s GLU 250 CO 0.02 0.55 0.12 0.41 -0.49 0.00 0.00 175.26 175.88 1aiq n GLY 251 N 1.15 -0.16 3.57 -1.39 0.00 -1.26 -1.01 105.19 106.08 1aiq n GLY 251 Ca -0.14 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 1aiq n GLY 251 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1aiq s TYR 252 N -2.76 3.15 -0.47 1.61 5.04 -1.26 -4.36 117.35 118.30 1aiq s TYR 252 Ca 0.06 0.31 0.06 0.00 -2.44 0.00 0.00 57.07 55.06 1aiq s TYR 252 Cb -0.03 -3.14 0.21 0.00 0.35 0.00 0.00 41.96 39.36 1aiq s TYR 252 CO 0.08 -0.64 0.49 -3.47 -1.34 0.00 0.00 175.55 170.67 1aiq n ASP 253 N 6.04 0.79 -4.90 4.32 2.03 -1.26 -5.10 116.55 118.47 1aiq n ASP 253 Ca -0.01 -2.75 -0.29 0.00 0.52 0.00 0.00 54.79 52.26 1aiq n ASP 253 Cb 0.49 -0.63 0.08 0.00 -0.72 0.00 0.00 41.12 40.33 1aiq n ASP 253 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1aiq s PRO 254 N -0.98 2.18 1.02 -0.67 0.04 -1.26 -4.88 135.00 130.45 1aiq s PRO 254 Ca 0.34 0.11 -0.16 0.00 0.04 0.00 0.00 61.00 61.33 1aiq s PRO 254 Cb 0.10 -2.00 0.21 0.00 0.04 0.00 0.00 34.50 32.85 1aiq s PRO 254 CO -0.13 -1.42 1.24 -1.01 0.04 0.00 0.00 177.00 175.71 1aiq s HIS 255 N -3.48 1.42 0.62 0.56 3.76 0.23 -4.85 115.29 113.56 1aiq s HIS 255 Ca 0.61 0.44 -0.19 0.00 -0.15 0.00 0.00 55.06 55.77 1aiq s HIS 255 Cb -0.11 -3.83 -0.02 0.00 1.11 0.00 0.00 32.58 29.73 1aiq s HIS 255 CO 0.49 -2.94 1.27 -2.14 -0.85 0.00 0.00 174.74 170.57 1aiq s PRO 256 N -5.68 2.72 0.85 8.40 0.02 -1.26 -2.31 135.00 137.74 1aiq s PRO 256 Ca 0.72 2.01 -0.11 0.00 0.02 0.00 0.00 61.00 63.64 1aiq s PRO 256 Cb -0.07 -1.90 0.10 0.00 0.02 0.00 0.00 34.50 32.66 1aiq s PRO 256 CO 0.54 -1.45 1.11 0.20 -0.33 0.00 0.00 177.00 177.06 1aiq s GLY 257 N -1.42 1.67 -0.10 0.52 0.00 -1.26 -3.75 107.32 102.97 1aiq s GLY 257 Ca 0.80 0.30 -0.01 0.00 0.00 0.00 0.00 44.72 45.81 1aiq s GLY 257 CO 0.38 0.70 -0.02 -0.42 0.00 0.00 0.00 173.10 173.74 1aiq s ILE 258 N -2.81 0.64 0.22 0.90 1.01 -1.26 -4.87 121.20 115.03 1aiq s ILE 258 Ca 0.63 -0.12 -0.26 0.00 0.00 0.00 0.00 60.65 60.90 1aiq s ILE 258 Cb -0.19 -0.79 -0.09 0.00 0.01 0.00 0.00 42.46 41.40 1aiq s ILE 258 CO 0.57 0.24 0.85 -0.54 0.00 0.00 0.00 174.94 176.06 1aiq s LYS 259 N 1.86 4.62 -0.03 2.79 -0.14 -1.26 -5.06 119.74 122.52 1aiq s LYS 259 Ca 0.04 1.25 -0.15 0.00 -1.36 0.00 0.00 55.97 55.76 1aiq s LYS 259 Cb -0.13 -3.14 0.03 0.00 -1.68 0.00 0.00 37.83 32.91 1aiq s LYS 259 CO -0.07 0.48 0.32 0.00 -0.76 0.00 0.00 175.35 175.32 1aiq s ALA 260 N -1.29 -0.80 0.29 5.17 0.00 -1.26 -4.98 121.76 118.89 1aiq s ALA 260 Ca 0.41 0.43 -0.25 0.00 0.00 0.00 0.00 51.96 52.55 1aiq s ALA 260 Cb -0.22 -0.02 -0.09 0.00 0.00 0.00 0.00 23.12 22.78 1aiq s ALA 260 CO 0.27 -0.25 0.90 -1.25 0.00 0.00 0.00 175.76 175.43 1aiq s PRO 261 N -1.10 4.56 -0.05 0.00 0.04 -1.26 -5.06 135.00 132.13 1aiq s PRO 261 Ca -0.12 1.26 -0.10 0.00 0.04 0.00 0.00 61.00 62.08 1aiq s PRO 261 Cb -0.05 -2.88 -0.05 0.00 0.04 0.00 0.00 34.50 31.56 1aiq s PRO 261 CO 0.04 0.34 0.27 0.54 0.04 0.00 0.00 177.00 178.23 1aiq s VAL 262 N -1.53 5.27 -0.12 -0.36 0.11 -1.26 -4.98 120.40 117.53 1aiq s VAL 262 Ca 0.47 0.49 -0.21 0.00 -2.93 0.00 0.00 61.98 59.80 1aiq s VAL 262 Cb -0.19 -3.55 -0.03 0.00 -1.53 0.00 0.00 36.38 31.07 1aiq s VAL 262 CO 0.24 0.58 0.61 0.00 -3.33 0.00 0.00 175.10 173.20 1aiq s ALA 263 N -1.08 3.44 -2.04 1.54 0.00 -1.26 -5.22 121.76 117.14 1aiq s ALA 263 Ca 0.20 -0.09 0.32 0.00 0.00 0.00 0.00 51.96 52.39 1aiq s ALA 263 Cb -0.14 -2.87 1.84 0.00 0.00 0.00 0.00 23.12 21.95 1aiq s ALA 263 CO 0.09 -0.22 2.19 -0.89 0.00 0.00 0.00 175.76 176.93