#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xiq s GLU 2 N 0.00 4.19 0.03 2.12 2.12 -1.25 -4.75 118.70 121.16 1xiq s GLU 2 Ca 0.00 2.41 0.06 0.00 0.36 0.00 0.00 54.97 57.80 1xiq s GLU 2 Cb 0.00 -3.23 -0.03 0.00 0.26 0.00 0.00 34.13 31.13 1xiq s GLU 2 CO 0.00 -0.66 -0.15 0.15 -0.54 0.00 0.00 175.26 174.06 1xiq s LYS 3 N 1.46 2.21 0.10 4.30 1.02 -1.26 -1.06 119.74 126.51 1xiq s LYS 3 Ca 0.72 -0.91 0.04 0.00 0.02 0.00 0.00 55.97 55.84 1xiq s LYS 3 Cb -0.44 -2.28 -0.04 0.00 -0.52 0.00 0.00 37.83 34.56 1xiq s LYS 3 CO 0.32 0.56 -0.10 0.45 -0.92 0.00 0.00 175.35 175.66 1xiq s SER 4 N -1.42 1.44 -0.35 2.83 0.15 -0.37 -4.73 113.70 111.25 1xiq s SER 4 Ca 0.15 -0.84 -0.13 0.00 0.70 0.00 0.00 55.95 55.83 1xiq s SER 4 Cb -0.11 0.02 -0.01 0.00 -1.71 0.00 0.00 66.02 64.21 1xiq s SER 4 CO 0.06 -0.29 0.25 0.12 1.20 0.00 0.00 173.24 174.58 1xiq s PHE 5 N -2.61 3.23 -0.10 3.44 5.36 -1.26 -1.79 117.98 124.24 1xiq s PHE 5 Ca 0.07 -0.28 0.02 0.00 -0.96 0.00 0.00 56.93 55.77 1xiq s PHE 5 Cb -0.02 -2.49 -0.01 0.00 -0.34 0.00 0.00 43.02 40.16 1xiq s PHE 5 CO -0.00 -0.40 -0.18 0.42 -1.46 0.00 0.00 175.22 173.60 1xiq s ILE 6 N 1.71 2.66 -0.13 3.12 1.09 -0.59 -2.71 121.20 126.36 1xiq s ILE 6 Ca 0.06 -0.81 -0.01 0.00 -1.10 0.00 0.00 60.65 58.78 1xiq s ILE 6 Cb -0.18 -2.07 0.04 0.00 -1.06 0.00 0.00 42.46 39.19 1xiq s ILE 6 CO 0.10 0.55 -0.02 -0.32 -0.10 0.00 0.00 174.94 175.15 1xiq s MET 7 N 0.17 0.98 -0.34 2.79 -2.45 -0.78 0.04 119.30 119.72 1xiq s MET 7 Ca -0.10 -0.23 -0.29 0.00 -1.25 0.00 0.00 55.69 53.82 1xiq s MET 7 Cb -0.16 -1.60 0.01 0.00 1.25 0.00 0.00 34.83 34.34 1xiq s MET 7 CO 0.06 -0.41 1.17 0.42 1.05 0.00 0.00 175.02 177.31 1xiq s ILE 8 N 1.82 4.32 1.05 10.11 1.09 -0.25 -0.08 121.20 139.26 1xiq s ILE 8 Ca 0.03 1.48 -0.13 0.00 -1.10 0.00 0.00 60.65 60.93 1xiq s ILE 8 Cb -0.14 -4.36 0.22 0.00 -1.06 0.00 0.00 42.46 37.12 1xiq s ILE 8 CO -0.07 -0.57 1.08 -0.54 -0.10 0.00 0.00 174.94 174.73 1xiq s LYS 9 N 3.99 0.04 0.22 2.79 1.02 0.35 -2.13 119.74 126.01 1xiq s LYS 9 Ca 0.50 0.60 -0.11 0.00 0.02 0.00 0.00 55.97 56.97 1xiq s LYS 9 Cb -0.13 -1.68 0.29 0.00 -0.52 0.00 0.00 37.83 35.79 1xiq s LYS 9 CO 0.21 -3.02 1.65 -1.35 -0.92 0.00 0.00 175.35 171.92 1xiq h PRO 10 N -2.10 0.07 0.00 -1.68 0.11 -1.82 -0.60 132.00 125.98 1xiq h PRO 10 Ca -0.57 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.51 1xiq h PRO 10 Cb 1.33 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.42 1xiq h PRO 10 CO 0.56 0.05 -0.15 0.38 -0.21 0.00 0.00 178.00 178.63 1xiq h ASP 11 N 0.07 0.00 -0.41 -2.05 2.03 -1.88 -0.21 116.42 113.97 1xiq h ASP 11 Ca 0.32 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.59 1xiq h ASP 11 Cb 0.53 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.01 1xiq h ASP 11 CO -0.58 0.15 0.11 1.23 -1.03 0.00 0.00 179.24 179.12 1xiq h GLY 12 N 0.54 0.70 2.00 7.15 0.00 -1.28 -2.52 103.07 109.66 1xiq h GLY 12 Ca -0.00 -0.43 -0.16 0.00 0.00 0.00 0.00 47.33 46.73 1xiq h GLY 12 CO 0.02 0.40 -0.78 -0.24 0.00 0.00 0.00 176.54 175.94 1xiq h VAL 13 N 0.53 1.46 -0.26 4.60 3.04 -0.84 -1.87 116.25 122.90 1xiq h VAL 13 Ca 0.13 -2.76 -0.13 0.00 -1.01 0.00 0.00 66.70 62.94 1xiq h VAL 13 Cb 0.29 2.53 -0.01 0.00 -2.01 0.00 0.00 31.29 32.09 1xiq h VAL 13 CO -0.00 0.76 -0.36 1.56 -1.01 0.00 0.00 177.57 178.52 1xiq h GLN 14 N 0.00 0.59 -0.01 4.17 1.08 -1.15 -2.75 115.11 117.03 1xiq h GLN 14 Ca -0.01 -0.28 0.00 0.00 -1.45 0.00 0.00 58.65 56.91 1xiq h GLN 14 Cb 1.47 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.89 1xiq h GLN 14 CO 0.10 0.86 -0.00 0.54 -0.95 0.00 0.00 178.83 179.38 1xiq n ARG 15 N -4.05 1.32 -3.05 1.46 1.74 -0.95 -4.92 116.66 108.20 1xiq n ARG 15 Ca -0.01 -0.48 -0.13 0.00 -0.77 0.00 0.00 57.85 56.46 1xiq n ARG 15 Cb 0.49 -1.49 0.06 0.00 -1.02 0.00 0.00 32.46 30.50 1xiq n ARG 15 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xiq n GLY 16 N 1.09 -0.13 0.75 -0.13 0.00 -1.04 -4.95 105.19 100.79 1xiq n GLY 16 Ca 0.21 -0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.24 1xiq n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xiq n LEU 17 N -3.28 3.21 0.43 0.99 4.77 -0.72 -4.69 117.00 117.72 1xiq n LEU 17 Ca -0.18 -2.19 -0.19 0.00 -0.03 0.00 0.00 56.01 53.42 1xiq n LEU 17 Cb 0.61 -0.31 -0.09 0.00 -2.33 0.00 0.00 43.42 41.30 1xiq n LEU 17 CO 0.44 0.74 0.60 0.58 -1.33 0.00 0.00 177.39 178.42 1xiq h VAL 18 N 2.17 0.21 0.00 4.08 2.07 -1.90 -0.73 116.25 122.16 1xiq h VAL 18 Ca 0.00 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.54 1xiq h VAL 18 Cb 0.89 0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 1xiq h VAL 18 CO 0.05 0.00 -0.30 1.23 0.02 0.00 0.00 177.57 178.57 1xiq h GLY 19 N -1.09 -0.48 0.42 2.17 0.00 -1.97 -1.49 103.07 100.63 1xiq h GLY 19 Ca -0.11 0.36 0.07 0.00 0.00 0.00 0.00 47.33 47.65 1xiq h GLY 19 CO 0.18 -0.23 0.08 -0.84 0.00 0.00 0.00 176.54 175.74 1xiq h THR 20 N -0.45 0.75 0.01 4.70 2.02 -1.84 0.22 112.91 118.32 1xiq h THR 20 Ca 0.06 -0.07 0.01 0.00 0.77 0.00 0.00 66.41 67.18 1xiq h THR 20 Cb 0.53 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1xiq h THR 20 CO -0.25 0.04 -0.06 0.40 0.37 0.00 0.00 175.52 176.02 1xiq h ILE 21 N 0.21 0.84 -0.24 3.11 2.04 -0.94 -1.55 117.51 120.99 1xiq h ILE 21 Ca 0.22 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.12 1xiq h ILE 21 Cb 0.28 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 1xiq h ILE 21 CO -0.29 0.00 -0.03 0.40 0.00 0.00 0.00 178.15 178.23 1xiq h ILE 22 N -0.11 0.79 -0.90 -0.67 2.04 -0.77 -1.82 117.51 116.07 1xiq h ILE 22 Ca 0.02 -0.01 0.12 0.00 1.00 0.00 0.00 64.86 65.99 1xiq h ILE 22 Cb 0.14 0.76 -0.07 0.00 -0.74 0.00 0.00 36.82 36.90 1xiq h ILE 22 CO -0.06 0.01 0.58 0.50 0.00 0.00 0.00 178.15 179.18 1xiq h LYS 23 N 0.04 0.77 -0.74 2.37 3.64 -0.71 0.14 116.57 122.08 1xiq h LYS 23 Ca 0.11 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1xiq h LYS 23 Cb 0.16 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 1xiq h LYS 23 CO -0.22 0.51 0.48 -0.09 -2.27 0.00 0.00 179.45 177.86 1xiq h ARG 24 N 0.79 0.98 -0.13 1.90 2.43 -0.45 -0.59 114.38 119.31 1xiq h ARG 24 Ca 0.44 -0.07 -0.21 0.00 -0.81 0.00 0.00 59.98 59.33 1xiq h ARG 24 Cb 0.58 -0.22 0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1xiq h ARG 24 CO -0.20 0.66 -0.77 0.74 -1.51 0.00 0.00 179.97 178.89 1xiq h PHE 25 N 1.01 0.95 -0.54 2.20 -1.00 -0.43 -3.03 116.94 116.10 1xiq h PHE 25 Ca 0.27 -0.42 -0.05 0.00 2.81 0.00 0.00 57.97 60.58 1xiq h PHE 25 Cb -0.10 -0.15 -0.02 0.00 3.61 0.00 0.00 35.95 39.30 1xiq h PHE 25 CO -0.02 1.24 0.14 0.93 -1.61 0.00 0.00 178.31 178.99 1xiq h GLU 26 N 0.48 0.85 0.00 1.51 5.08 -0.61 -3.03 114.58 118.85 1xiq h GLU 26 Ca -0.05 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1xiq h GLU 26 Cb 1.39 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 1xiq h GLU 26 CO 0.15 0.80 -0.01 0.87 -1.00 0.00 0.00 179.01 179.82 1xiq h LYS 27 N 0.75 0.00 0.00 2.33 1.79 -1.11 -1.57 116.57 118.76 1xiq h LYS 27 Ca 0.17 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 1xiq h LYS 27 Cb 0.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 1xiq h LYS 27 CO -0.00 0.01 0.00 1.17 -1.08 0.00 0.00 179.45 179.55 1xiq n LYS 28 N -3.11 0.14 -0.15 3.15 0.00 -1.15 -4.88 118.16 112.17 1xiq n LYS 28 Ca 0.01 0.33 0.00 0.00 0.00 0.00 0.00 58.31 58.65 1xiq n LYS 28 Cb 0.36 -1.75 0.00 0.00 0.00 0.00 0.00 35.03 33.64 1xiq n LYS 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1xiq n GLY 29 N 0.26 0.91 3.94 3.14 0.00 -0.59 -5.09 105.19 107.76 1xiq n GLY 29 Ca 0.03 -0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 1xiq n GLY 29 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xiq s TYR 30 N -2.00 3.47 -0.28 1.61 2.02 -1.17 -5.01 117.35 115.99 1xiq s TYR 30 Ca 0.00 0.43 -0.03 0.00 -0.37 0.00 0.00 57.07 57.09 1xiq s TYR 30 Cb 0.00 -2.04 0.03 0.00 -0.40 0.00 0.00 41.96 39.55 1xiq s TYR 30 CO 0.00 -0.03 0.00 0.21 -1.57 0.00 0.00 175.55 174.16 1xiq s LYS 31 N -4.44 2.75 -0.13 -0.62 2.20 -0.39 -4.62 119.74 114.48 1xiq s LYS 31 Ca 0.43 -1.06 -0.29 0.00 -0.36 0.00 0.00 55.97 54.68 1xiq s LYS 31 Cb -0.10 -3.18 -0.02 0.00 -1.51 0.00 0.00 37.83 33.02 1xiq s LYS 31 CO 0.38 -0.50 1.31 -1.17 -0.36 0.00 0.00 175.35 175.01 1xiq s LEU 32 N 1.35 4.22 -0.00 5.43 2.96 -1.26 -0.07 118.68 131.31 1xiq s LEU 32 Ca -0.01 1.80 0.01 0.00 -0.22 0.00 0.00 54.13 55.71 1xiq s LEU 32 Cb -0.18 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.95 1xiq s LEU 32 CO -0.01 -0.76 0.05 2.30 -1.32 0.00 0.00 176.35 176.60 1xiq n ILE 33 N 5.28 0.00 -3.68 6.68 -5.35 -0.78 -4.98 119.36 116.54 1xiq n ILE 33 Ca 0.14 -0.32 -0.11 0.00 -0.27 0.00 0.00 62.75 62.19 1xiq n ILE 33 Cb 0.45 0.82 -0.09 0.00 -1.74 0.00 0.00 39.64 39.08 1xiq n ILE 33 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1xiq s ALA 34 N -1.46 -1.42 -0.14 -1.28 0.00 -1.14 -0.56 121.76 115.77 1xiq s ALA 34 Ca 0.00 1.76 -0.12 0.00 0.00 0.00 0.00 51.96 53.61 1xiq s ALA 34 Cb 0.01 -1.04 0.04 0.00 0.00 0.00 0.00 23.12 22.13 1xiq s ALA 34 CO 0.05 -0.29 0.36 -1.50 0.00 0.00 0.00 175.76 174.38 1xiq s ILE 35 N 0.85 -0.00 -0.09 0.00 2.07 -1.26 -0.72 121.20 122.04 1xiq s ILE 35 Ca -0.04 0.02 -0.27 0.00 -1.41 0.00 0.00 60.65 58.94 1xiq s ILE 35 Cb -0.05 -0.51 0.06 0.00 0.13 0.00 0.00 42.46 42.10 1xiq s ILE 35 CO -0.07 0.01 0.63 -1.59 -1.91 0.00 0.00 174.94 172.01 1xiq s LYS 36 N 0.35 0.95 -0.14 3.50 -2.85 -0.54 -5.00 119.74 116.01 1xiq s LYS 36 Ca -0.01 0.34 -0.03 0.00 -1.00 0.00 0.00 55.97 55.27 1xiq s LYS 36 Cb -0.03 0.45 -0.02 0.00 -2.06 0.00 0.00 37.83 36.16 1xiq s LYS 36 CO -0.01 -0.26 -0.06 1.41 0.10 0.00 0.00 175.35 176.52 1xiq s MET 37 N -0.89 3.56 0.11 1.78 -2.45 -1.26 -0.37 119.30 119.78 1xiq s MET 37 Ca -0.09 -0.56 -0.18 0.00 -1.25 0.00 0.00 55.69 53.61 1xiq s MET 37 Cb -0.02 -2.83 0.04 0.00 1.25 0.00 0.00 34.83 33.28 1xiq s MET 37 CO 0.07 0.26 0.45 -0.48 1.05 0.00 0.00 175.02 176.38 1xiq s LEU 38 N 0.29 0.17 -0.50 4.11 2.34 -0.90 -5.01 118.68 119.17 1xiq s LEU 38 Ca -0.05 -0.15 -0.19 0.00 0.06 0.00 0.00 54.13 53.80 1xiq s LEU 38 Cb -0.14 2.00 0.06 0.00 -0.56 0.00 0.00 46.19 47.54 1xiq s LEU 38 CO 0.04 -0.83 0.60 0.20 -1.06 0.00 0.00 176.35 175.30 1xiq s ASN 39 N -2.57 6.22 0.14 1.48 -0.87 -1.26 -2.44 114.94 115.64 1xiq s ASN 39 Ca 0.00 -0.96 -0.31 0.00 -1.57 0.00 0.00 52.86 50.03 1xiq s ASN 39 Cb 0.01 -2.28 -0.09 0.00 -0.02 0.00 0.00 41.25 38.87 1xiq s ASN 39 CO -0.09 -0.87 1.50 -2.16 -2.57 0.00 0.00 177.10 172.91 1xiq s PRO 40 N 2.53 4.26 0.07 -0.60 0.04 -1.26 -4.90 135.00 135.13 1xiq s PRO 40 Ca 0.14 2.24 -0.30 0.00 0.04 0.00 0.00 61.00 63.12 1xiq s PRO 40 Cb -0.20 -3.22 -0.09 0.00 0.04 0.00 0.00 34.50 31.03 1xiq s PRO 40 CO 0.11 -0.55 1.89 0.95 0.04 0.00 0.00 177.00 179.44 1xiq s THR 41 N 1.22 2.86 0.30 1.26 -4.23 -1.26 -4.51 115.64 111.28 1xiq s THR 41 Ca 0.68 0.08 0.03 0.00 -1.18 0.00 0.00 61.69 61.30 1xiq s THR 41 Cb -0.41 -3.05 0.40 0.00 1.34 0.00 0.00 72.50 70.78 1xiq s THR 41 CO 0.31 -0.00 1.51 -0.62 -0.54 0.00 0.00 174.62 175.27 1xiq n GLU 42 N 6.74 -0.08 0.22 3.99 1.02 -1.26 0.15 120.64 131.42 1xiq n GLU 42 Ca 0.19 1.44 -0.16 0.00 -0.02 0.00 0.00 57.16 58.61 1xiq n GLU 42 Cb 0.40 -2.30 -0.08 0.00 -0.02 0.00 0.00 31.44 29.44 1xiq n GLU 42 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1xiq h GLU 43 N 0.00 -0.71 0.00 3.49 5.08 -1.98 -0.98 114.58 119.48 1xiq h GLU 43 Ca 0.60 0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 59.00 1xiq h GLU 43 Cb 1.26 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.67 1xiq h GLU 43 CO -0.90 -0.48 -0.04 0.82 -1.00 0.00 0.00 179.01 177.42 1xiq h ILE 44 N -0.74 0.07 0.00 3.13 5.03 -1.05 -2.72 117.51 121.23 1xiq h ILE 44 Ca -0.02 -1.04 -0.07 0.00 -0.12 0.00 0.00 64.86 63.61 1xiq h ILE 44 Cb 0.67 1.98 -0.01 0.00 -3.03 0.00 0.00 36.82 36.44 1xiq h ILE 44 CO -0.08 0.04 -0.33 0.25 -0.68 0.00 0.00 178.15 177.35 1xiq h LEU 45 N 0.00 0.00 -1.13 1.44 7.12 0.15 -3.33 115.31 119.56 1xiq h LEU 45 Ca -0.00 0.00 0.01 0.00 0.13 0.00 0.00 57.88 58.02 1xiq h LEU 45 Cb 0.98 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 41.06 1xiq h LEU 45 CO 0.00 0.33 0.59 0.50 -0.13 0.00 0.00 178.44 179.74 1xiq h LYS 46 N 0.00 1.15 0.00 1.25 3.64 -0.83 -2.35 116.57 119.43 1xiq h LYS 46 Ca -0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1xiq h LYS 46 Cb 1.15 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1xiq h LYS 46 CO 0.04 0.76 0.00 0.39 -2.27 0.00 0.00 179.45 178.38 1xiq n GLU 47 N -4.41 0.18 0.21 1.90 -0.58 -1.25 -2.73 120.64 113.97 1xiq n GLU 47 Ca 0.10 0.34 0.07 0.00 -0.42 0.00 0.00 57.16 57.26 1xiq n GLU 47 Cb 0.03 -1.81 0.45 0.00 -0.57 0.00 0.00 31.44 29.55 1xiq n GLU 47 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1xiq h HIS 48 N 0.00 0.00 -0.25 -0.32 2.76 -1.61 -2.98 115.15 112.75 1xiq h HIS 48 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1xiq h HIS 48 Cb 0.45 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.41 1xiq h HIS 48 CO 0.00 0.30 0.00 0.98 -1.30 0.00 0.00 177.93 177.91 1xiq n TYR 49 N -3.64 0.41 0.25 5.26 9.36 -1.10 -4.68 117.16 123.01 1xiq n TYR 49 Ca -0.01 -0.57 0.17 0.00 3.32 0.00 0.00 57.90 60.82 1xiq n TYR 49 Cb 0.42 -0.07 0.89 0.00 -0.63 0.00 0.00 39.34 39.95 1xiq n TYR 49 CO 0.00 0.00 0.00 -0.22 0.22 0.00 0.00 176.86 176.86 1xiq h LYS 50 N 1.48 0.00 0.00 2.98 3.64 -1.43 -0.04 116.57 123.20 1xiq h LYS 50 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1xiq h LYS 50 Cb 0.78 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1xiq h LYS 50 CO 0.03 0.00 -0.90 1.49 -2.27 0.00 0.00 179.45 177.80 1xiq h GLU 51 N 0.00 0.00 -0.00 1.90 4.22 -1.83 -3.38 114.58 115.49 1xiq h GLU 51 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.50 1xiq h GLU 51 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1xiq h GLU 51 CO -0.00 0.00 0.00 1.28 -2.18 0.00 0.00 179.01 178.11 1xiq n LEU 52 N -2.50 1.71 -0.46 1.64 4.77 -0.22 -4.81 117.00 117.13 1xiq n LEU 52 Ca 0.01 -1.70 0.39 0.00 -0.03 0.00 0.00 56.01 54.67 1xiq n LEU 52 Cb 0.52 -0.00 0.71 0.00 -2.33 0.00 0.00 43.42 42.31 1xiq n LEU 52 CO 0.39 0.43 1.33 -1.28 -1.33 0.00 0.00 177.39 176.92 1xiq h SER 53 N 0.01 0.13 0.00 -1.43 0.87 -1.27 -3.09 113.55 108.78 1xiq h SER 53 Ca 0.00 0.05 -0.16 0.00 -1.23 0.00 0.00 61.79 60.45 1xiq h SER 53 Cb 0.35 0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.35 1xiq h SER 53 CO 0.00 -0.04 1.33 0.47 -0.53 0.00 0.00 176.83 178.06 1xiq n ASP 54 N -4.33 2.44 -3.87 6.23 9.92 -1.26 -4.75 116.55 120.93 1xiq n ASP 54 Ca 0.34 -2.06 -0.12 0.00 -0.53 0.00 0.00 54.79 52.42 1xiq n ASP 54 Cb 1.44 -0.71 -0.14 0.00 -0.64 0.00 0.00 41.12 41.08 1xiq n ASP 54 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1xiq s GLN 55 N 3.48 0.02 0.18 -1.24 2.00 -1.17 -5.08 119.66 117.86 1xiq s GLN 55 Ca 0.22 0.00 -0.13 0.00 -2.00 0.00 0.00 55.36 53.45 1xiq s GLN 55 Cb 0.07 0.01 0.17 0.00 0.80 0.00 0.00 33.01 34.07 1xiq s GLN 55 CO -0.01 -0.00 1.71 -1.35 -0.50 0.00 0.00 175.29 175.14 1xiq h PRO 56 N 6.10 0.20 -4.34 1.67 0.11 -1.93 -3.32 132.00 130.50 1xiq h PRO 56 Ca -0.24 -0.01 -0.75 0.00 0.11 0.00 0.00 66.00 65.11 1xiq h PRO 56 Cb 1.21 -0.05 -0.22 0.00 0.11 0.00 0.00 31.00 32.05 1xiq h PRO 56 CO 0.50 0.14 0.66 -0.06 -0.21 0.00 0.00 178.00 179.02 1xiq s PHE 57 N -6.15 3.61 0.00 0.65 0.40 -1.26 -4.69 117.98 110.55 1xiq s PHE 57 Ca -0.13 -1.98 0.00 0.00 -0.60 0.00 0.00 56.93 54.22 1xiq s PHE 57 Cb 0.15 -4.07 0.00 0.00 0.51 0.00 0.00 43.02 39.61 1xiq s PHE 57 CO 0.72 -1.22 0.00 0.34 0.70 0.00 0.00 175.22 175.76 1xiq n PHE 58 N 4.86 0.00 0.12 0.36 7.35 -1.25 -4.66 117.46 124.24 1xiq n PHE 58 Ca 0.24 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.90 1xiq n PHE 58 Cb 0.45 0.00 0.10 0.00 0.35 0.00 0.00 39.48 40.38 1xiq n PHE 58 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1xiq h LYS 59 N 0.00 0.01 -0.04 -4.13 1.79 -1.91 -3.14 116.57 109.15 1xiq h LYS 59 Ca 0.00 -0.01 -0.15 0.00 -2.18 0.00 0.00 60.65 58.32 1xiq h LYS 59 Cb 0.99 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.63 1xiq h LYS 59 CO 0.00 0.72 -0.63 -0.91 -1.08 0.00 0.00 179.45 177.55 1xiq h ASN 60 N 0.01 0.19 -0.05 0.86 4.21 -1.93 -3.25 115.58 115.61 1xiq h ASN 60 Ca -0.01 -0.11 -0.08 0.00 1.21 0.00 0.00 56.30 57.31 1xiq h ASN 60 Cb 1.26 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 38.41 1xiq h ASN 60 CO 0.09 0.77 -0.29 0.25 -1.29 0.00 0.00 177.43 176.97 1xiq h LEU 61 N 0.12 0.35 0.00 1.61 5.85 -1.82 -2.39 115.31 119.02 1xiq h LEU 61 Ca -0.01 -0.66 0.00 0.00 0.84 0.00 0.00 57.88 58.05 1xiq h LEU 61 Cb 1.14 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.06 1xiq h LEU 61 CO 0.09 0.95 0.00 1.33 -0.34 0.00 0.00 178.44 180.47 1xiq n VAL 62 N -4.46 0.00 -0.08 1.05 0.24 -1.19 -1.76 118.33 112.13 1xiq n VAL 62 Ca -0.09 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.06 1xiq n VAL 62 Cb 0.49 -0.74 -0.05 0.00 -1.47 0.00 0.00 33.84 32.06 1xiq n VAL 62 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xiq n ALA 63 N -0.87 1.77 0.28 2.33 0.00 -1.17 -4.19 120.51 118.66 1xiq n ALA 63 Ca 0.05 -0.67 0.16 0.00 0.00 0.00 0.00 53.44 52.98 1xiq n ALA 63 Cb 0.02 0.22 0.79 0.00 0.00 0.00 0.00 19.45 20.48 1xiq n ALA 63 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1xiq h TYR 64 N -0.65 0.00 0.00 0.00 5.03 -1.11 -3.08 116.97 117.16 1xiq h TYR 64 Ca -0.34 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 60.90 1xiq h TYR 64 Cb 1.20 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.47 1xiq h TYR 64 CO -0.12 0.06 -0.53 0.82 -1.32 0.00 0.00 178.16 177.07 1xiq h ILE 65 N 0.00 0.67 -0.48 1.81 2.04 -1.61 -3.29 117.51 116.65 1xiq h ILE 65 Ca -0.00 -1.65 0.08 0.00 1.00 0.00 0.00 64.86 64.28 1xiq h ILE 65 Cb 0.39 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 1xiq h ILE 65 CO 0.01 0.23 0.32 0.28 0.00 0.00 0.00 178.15 178.99 1xiq h SER 66 N -1.00 0.28 0.01 1.72 0.02 -1.72 -2.60 113.55 110.26 1xiq h SER 66 Ca -0.11 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1xiq h SER 66 Cb 0.76 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.24 1xiq h SER 66 CO -0.07 0.18 -0.00 0.50 -1.14 0.00 0.00 176.83 176.30 1xiq h LYS 67 N 0.32 -0.01 -7.34 3.45 3.11 -1.74 -3.35 116.57 111.01 1xiq h LYS 67 Ca 0.22 0.00 -0.48 0.00 -2.81 0.00 0.00 60.65 57.57 1xiq h LYS 67 Cb 0.44 0.00 0.14 0.00 -1.00 0.00 0.00 32.23 31.81 1xiq h LYS 67 CO -0.05 0.82 0.26 0.20 -2.81 0.00 0.00 179.45 177.88 1xiq s GLY 68 N -3.91 1.62 0.48 5.01 0.00 -0.98 -5.00 107.32 104.55 1xiq s GLY 68 Ca -0.18 -0.06 -0.19 0.00 0.00 0.00 0.00 44.72 44.29 1xiq s GLY 68 CO 0.66 0.41 0.98 2.56 0.00 0.00 0.00 173.10 177.72 1xiq s PRO 69 N -4.96 4.01 -0.00 2.90 0.04 -1.26 -4.66 135.00 131.07 1xiq s PRO 69 Ca 0.63 1.11 0.01 0.00 0.04 0.00 0.00 61.00 62.78 1xiq s PRO 69 Cb -0.18 -2.14 -0.00 0.00 0.04 0.00 0.00 34.50 32.22 1xiq s PRO 69 CO 0.57 -0.22 -0.02 0.08 0.04 0.00 0.00 177.00 177.44 1xiq s VAL 70 N -2.32 0.17 -0.42 -0.36 1.01 -1.02 -2.97 120.40 114.49 1xiq s VAL 70 Ca 0.62 -0.09 -0.09 0.00 0.00 0.00 0.00 61.98 62.42 1xiq s VAL 70 Cb -0.11 -0.16 0.08 0.00 0.00 0.00 0.00 36.38 36.19 1xiq s VAL 70 CO 0.22 0.05 0.25 -0.69 0.00 0.00 0.00 175.10 174.93 1xiq s VAL 71 N -0.02 4.15 0.13 2.92 1.01 -0.91 -2.11 120.40 125.58 1xiq s VAL 71 Ca 0.01 -1.43 -0.21 0.00 0.00 0.00 0.00 61.98 60.34 1xiq s VAL 71 Cb -0.01 -3.55 -0.07 0.00 0.00 0.00 0.00 36.38 32.74 1xiq s VAL 71 CO -0.00 -0.51 0.66 0.00 0.00 0.00 0.00 175.10 175.25 1xiq s ALA 72 N 1.41 3.51 0.03 5.51 0.00 0.51 -1.09 121.76 131.63 1xiq s ALA 72 Ca 0.03 0.14 -0.02 0.00 0.00 0.00 0.00 51.96 52.11 1xiq s ALA 72 Cb -0.23 -2.76 -0.02 0.00 0.00 0.00 0.00 23.12 20.12 1xiq s ALA 72 CO 0.02 0.36 0.01 -1.64 0.00 0.00 0.00 175.76 174.51 1xiq s MET 73 N -1.36 0.42 -0.10 0.00 -1.94 0.11 -1.47 119.30 114.97 1xiq s MET 73 Ca 0.34 -0.70 0.02 0.00 -1.71 0.00 0.00 55.69 53.65 1xiq s MET 73 Cb -0.20 0.16 0.01 0.00 2.01 0.00 0.00 34.83 36.81 1xiq s MET 73 CO 0.22 -0.08 -0.16 0.08 -0.01 0.00 0.00 175.02 175.06 1xiq s VAL 74 N -2.01 1.52 0.05 -6.03 1.01 0.10 -1.54 120.40 113.50 1xiq s VAL 74 Ca -0.11 -0.68 0.08 0.00 0.00 0.00 0.00 61.98 61.28 1xiq s VAL 74 Cb -0.06 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 1xiq s VAL 74 CO -0.03 0.44 -0.20 0.26 0.00 0.00 0.00 175.10 175.58 1xiq s TRP 75 N 0.80 2.50 0.09 5.22 0.52 -0.74 -1.86 118.94 125.48 1xiq s TRP 75 Ca -0.10 -0.29 0.10 0.00 0.02 0.00 0.00 56.10 55.82 1xiq s TRP 75 Cb -0.16 -1.43 -0.03 0.00 -1.15 0.00 0.00 33.47 30.70 1xiq s TRP 75 CO 0.01 0.25 -0.26 -2.00 0.02 0.00 0.00 176.95 174.97 1xiq s GLU 76 N -1.49 1.51 0.00 4.98 2.12 0.91 -1.24 118.70 125.49 1xiq s GLU 76 Ca 0.14 -1.22 0.00 0.00 0.36 0.00 0.00 54.97 54.25 1xiq s GLU 76 Cb -0.10 -1.85 0.00 0.00 0.26 0.00 0.00 34.13 32.44 1xiq s GLU 76 CO 0.05 0.45 0.00 0.41 -0.54 0.00 0.00 175.26 175.64 1xiq n GLY 77 N 1.29 2.85 3.68 -1.50 0.00 -0.22 -1.26 105.19 110.03 1xiq n GLY 77 Ca -0.18 -1.27 -0.45 0.00 0.00 0.00 0.00 46.02 44.12 1xiq n GLY 77 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1xiq n VAL 78 N -1.38 0.05 -3.90 1.61 0.31 -1.26 -2.20 118.33 111.55 1xiq n VAL 78 Ca 0.00 -0.01 -0.25 0.00 -0.01 0.00 0.00 64.34 64.07 1xiq n VAL 78 Cb 0.00 -1.65 -0.01 0.00 -0.91 0.00 0.00 33.84 31.27 1xiq n VAL 78 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1xiq n ASP 79 N 3.77 -0.73 -0.09 4.52 2.03 -1.26 -4.89 116.55 119.90 1xiq n ASP 79 Ca 0.17 -0.98 -0.12 0.00 0.52 0.00 0.00 54.79 54.38 1xiq n ASP 79 Cb 0.30 -3.20 -0.04 0.00 -0.72 0.00 0.00 41.12 37.46 1xiq n ASP 79 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 1xiq h MET 80 N -1.85 0.53 0.06 -0.67 1.85 -1.68 -2.67 114.93 110.51 1xiq h MET 80 Ca -0.63 -0.20 -0.00 0.00 -0.61 0.00 0.00 59.70 58.25 1xiq h MET 80 Cb 1.37 -0.03 0.00 0.00 0.43 0.00 0.00 31.60 33.37 1xiq h MET 80 CO 0.61 0.74 -0.03 0.28 -0.40 0.00 0.00 176.91 178.10 1xiq h VAL 81 N 0.29 0.99 -0.29 -5.77 2.07 -1.87 -0.08 116.25 111.60 1xiq h VAL 81 Ca 0.07 -0.18 -0.12 0.00 0.82 0.00 0.00 66.70 67.29 1xiq h VAL 81 Cb 0.54 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1xiq h VAL 81 CO 0.03 0.04 -0.31 0.50 0.02 0.00 0.00 177.57 177.85 1xiq h LYS 82 N -0.16 0.71 -0.43 1.57 3.11 -1.89 -2.11 116.57 117.38 1xiq h LYS 82 Ca -0.01 -0.39 -0.09 0.00 -2.81 0.00 0.00 60.65 57.36 1xiq h LYS 82 Cb 0.14 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.37 1xiq h LYS 82 CO 0.01 1.00 -0.09 0.37 -2.81 0.00 0.00 179.45 177.93 1xiq h GLN 83 N 0.46 0.76 -0.26 1.90 5.75 -1.44 0.20 115.11 122.48 1xiq h GLN 83 Ca 0.04 -0.24 -0.00 0.00 -0.15 0.00 0.00 58.65 58.30 1xiq h GLN 83 Cb 0.88 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.35 1xiq h GLN 83 CO 0.08 0.83 0.16 0.78 -2.65 0.00 0.00 178.83 178.02 1xiq h GLY 84 N 0.97 0.37 1.39 2.39 0.00 -0.92 0.20 103.07 107.48 1xiq h GLY 84 Ca 0.12 -0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.26 1xiq h GLY 84 CO 0.03 0.15 0.14 -0.09 0.00 0.00 0.00 176.54 176.77 1xiq h ARG 85 N 0.33 0.77 -0.36 4.80 2.43 -0.90 -0.50 114.38 120.94 1xiq h ARG 85 Ca 0.09 -0.14 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1xiq h ARG 85 Cb 0.00 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 1xiq h ARG 85 CO -0.02 0.68 0.22 -0.22 -1.51 0.00 0.00 179.97 179.13 1xiq h LYS 86 N 0.75 0.49 -0.24 0.20 3.11 -0.10 0.15 116.57 120.93 1xiq h LYS 86 Ca 0.17 -0.04 -0.07 0.00 -2.81 0.00 0.00 60.65 57.90 1xiq h LYS 86 Cb 0.25 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.36 1xiq h LYS 86 CO -0.01 0.36 -0.15 -0.07 -2.81 0.00 0.00 179.45 176.77 1xiq h LEU 87 N 0.48 0.40 0.04 5.20 3.38 -0.07 -3.18 115.31 121.55 1xiq h LEU 87 Ca 0.13 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1xiq h LEU 87 Cb -0.00 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1xiq h LEU 87 CO -0.03 0.58 -0.02 0.40 0.09 0.00 0.00 178.44 179.47 1xiq h ILE 88 N 0.38 1.30 0.00 1.22 2.04 -0.86 -1.14 117.51 120.44 1xiq h ILE 88 Ca 0.07 -1.73 0.00 0.00 1.00 0.00 0.00 64.86 64.20 1xiq h ILE 88 Cb 0.50 2.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.92 1xiq h ILE 88 CO 0.03 0.40 0.00 0.61 0.00 0.00 0.00 178.15 179.19 1xiq n GLY 89 N 1.20 -1.59 3.60 5.37 0.00 0.51 -1.30 105.19 112.99 1xiq n GLY 89 Ca -0.08 -2.19 -0.29 0.00 0.00 0.00 0.00 46.02 43.46 1xiq n GLY 89 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xiq s GLU 90 N -0.54 0.15 0.10 1.61 2.56 -1.26 -4.84 118.70 116.49 1xiq s GLU 90 Ca 0.00 1.08 -0.26 0.00 0.00 0.00 0.00 54.97 55.79 1xiq s GLU 90 Cb 0.00 -1.66 -0.11 0.00 2.00 0.00 0.00 34.13 34.36 1xiq s GLU 90 CO 0.00 -3.07 1.67 1.15 -0.56 0.00 0.00 175.26 174.45 1xiq h THR 91 N -2.17 0.60 -3.56 -1.70 2.02 -1.98 -3.39 112.91 102.73 1xiq h THR 91 Ca -0.53 0.00 -0.60 0.00 0.77 0.00 0.00 66.41 66.05 1xiq h THR 91 Cb 1.30 0.60 -0.10 0.00 -1.74 0.00 0.00 68.15 68.21 1xiq h THR 91 CO 0.48 0.00 0.58 0.21 0.37 0.00 0.00 175.52 177.16 1xiq s ASN 92 N -4.88 6.61 0.00 4.18 3.04 -1.26 -4.70 114.94 117.92 1xiq s ASN 92 Ca -0.15 0.40 0.05 0.00 0.04 0.00 0.00 52.86 53.20 1xiq s ASN 92 Cb 0.07 -2.46 0.21 0.00 -1.54 0.00 0.00 41.25 37.53 1xiq s ASN 92 CO 0.65 -0.92 1.14 -2.65 -3.04 0.00 0.00 177.10 172.28 1xiq n PRO 93 N 6.90 0.01 -0.00 0.43 -0.02 -1.26 -1.86 135.00 139.19 1xiq n PRO 93 Ca 0.07 0.40 -0.18 0.00 -2.02 0.00 0.00 63.50 61.77 1xiq n PRO 93 Cb 0.48 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.38 1xiq n PRO 93 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1xiq h LEU 94 N 0.00 0.87 0.00 2.45 5.85 -1.84 -3.31 115.31 119.33 1xiq h LEU 94 Ca 0.00 -0.67 0.00 0.00 0.84 0.00 0.00 57.88 58.05 1xiq h LEU 94 Cb 0.08 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.85 1xiq h LEU 94 CO 0.00 1.41 -0.57 0.35 -0.34 0.00 0.00 178.44 179.29 1xiq n THR 95 N -3.97 0.04 -2.53 1.05 -2.24 -0.80 -4.90 114.28 100.92 1xiq n THR 95 Ca -0.09 -0.04 -0.41 0.00 -2.27 0.00 0.00 64.05 61.24 1xiq n THR 95 Cb 0.76 0.27 -0.04 0.00 -2.10 0.00 0.00 70.33 69.22 1xiq n THR 95 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1xiq s SER 96 N -3.15 7.26 0.57 3.42 0.15 -0.78 -4.89 113.70 116.28 1xiq s SER 96 Ca 0.10 2.01 -0.18 0.00 0.70 0.00 0.00 55.95 58.57 1xiq s SER 96 Cb 0.17 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 61.84 1xiq s SER 96 CO 0.72 -0.26 1.13 0.20 1.20 0.00 0.00 173.24 176.22 1xiq s ASN 97 N 0.26 5.55 0.43 5.45 0.01 -1.26 -4.55 114.94 120.83 1xiq s ASN 97 Ca 0.51 2.15 -0.24 0.00 -0.71 0.00 0.00 52.86 54.57 1xiq s ASN 97 Cb -0.28 -2.58 -0.08 0.00 0.41 0.00 0.00 41.25 38.73 1xiq s ASN 97 CO 0.32 -1.33 1.18 0.42 -1.51 0.00 0.00 177.10 176.18 1xiq s THR 98 N -1.89 3.08 0.00 1.60 -4.23 -1.26 -2.93 115.64 110.01 1xiq s THR 98 Ca 0.72 0.86 0.00 0.00 -1.18 0.00 0.00 61.69 62.09 1xiq s THR 98 Cb -0.23 -3.46 0.00 0.00 1.34 0.00 0.00 72.50 70.14 1xiq s THR 98 CO 0.30 0.04 0.00 0.61 -0.54 0.00 0.00 174.62 175.04 1xiq n GLY 99 N 0.55 2.15 3.86 3.99 0.00 -1.26 -5.02 105.19 109.46 1xiq n GLY 99 Ca 0.06 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 1xiq n GLY 99 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xiq s THR 100 N -1.68 4.63 0.10 2.61 -4.23 -1.15 -4.88 115.64 111.03 1xiq s THR 100 Ca 0.00 0.93 -0.26 0.00 -1.18 0.00 0.00 61.69 61.18 1xiq s THR 100 Cb 0.00 -3.81 -0.10 0.00 1.34 0.00 0.00 72.50 69.93 1xiq s THR 100 CO 0.00 -1.04 1.66 0.40 -0.54 0.00 0.00 174.62 175.11 1xiq h ILE 101 N -0.09 0.57 0.00 2.99 2.04 -1.17 0.22 117.51 122.07 1xiq h ILE 101 Ca -0.45 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.35 1xiq h ILE 101 Cb 1.19 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 1xiq h ILE 101 CO 0.62 0.00 -0.32 0.03 0.00 0.00 0.00 178.15 178.48 1xiq h ARG 102 N -0.38 0.00 0.00 2.37 3.08 -1.46 -0.06 114.38 117.93 1xiq h ARG 102 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1xiq h ARG 102 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1xiq h ARG 102 CO -0.09 0.32 -0.31 0.41 -1.07 0.00 0.00 179.97 179.23 1xiq n GLY 103 N -0.38 -1.55 0.10 0.04 0.00 -1.01 -1.95 105.19 100.44 1xiq n GLY 103 Ca -0.02 -0.14 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 1xiq n GLY 103 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xiq n ASP 104 N -2.15 0.55 0.00 1.61 9.92 0.74 -4.62 116.55 122.59 1xiq n ASP 104 Ca 0.04 0.12 0.00 0.00 -0.53 0.00 0.00 54.79 54.42 1xiq n ASP 104 Cb 0.43 0.47 0.00 0.00 -0.64 0.00 0.00 41.12 41.38 1xiq n ASP 104 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1xiq n PHE 105 N -2.92 0.00 -4.36 1.24 3.72 -0.08 -5.08 117.46 109.97 1xiq n PHE 105 Ca -0.30 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 56.85 1xiq n PHE 105 Cb 1.11 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 39.55 1xiq n PHE 105 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xiq n LEU 107 N -0.36 2.50 -4.38 0.00 4.77 -1.26 -4.71 117.00 113.56 1xiq n LEU 107 Ca -0.08 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.59 1xiq n LEU 107 Cb 0.58 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.52 1xiq n LEU 107 CO 0.36 0.41 -0.53 -0.70 -1.33 0.00 0.00 177.39 175.61 1xiq s GLU 108 N -1.88 2.10 0.53 3.23 2.56 -1.26 -4.35 118.70 119.63 1xiq s GLU 108 Ca 0.00 -0.94 0.25 0.00 0.00 0.00 0.00 54.97 54.28 1xiq s GLU 108 Cb 0.00 -2.13 1.47 0.00 2.00 0.00 0.00 34.13 35.47 1xiq s GLU 108 CO 0.00 0.56 2.11 -0.24 -0.56 0.00 0.00 175.26 177.13 1xiq h VAL 109 N 4.27 0.67 -0.01 3.70 3.04 -1.97 -1.28 116.25 124.68 1xiq h VAL 109 Ca -0.46 -0.39 -0.13 0.00 -1.01 0.00 0.00 66.70 64.71 1xiq h VAL 109 Cb 1.14 1.24 -0.02 0.00 -2.01 0.00 0.00 31.29 31.64 1xiq h VAL 109 CO 0.47 0.09 -0.60 0.77 -1.01 0.00 0.00 177.57 177.29 1xiq h SER 110 N 0.00 0.03 -2.86 3.17 4.64 -1.95 -3.36 113.55 113.21 1xiq h SER 110 Ca -0.00 -0.02 -0.61 0.00 -0.47 0.00 0.00 61.79 60.69 1xiq h SER 110 Cb 0.23 -0.01 -0.41 0.00 -0.31 0.00 0.00 62.40 61.90 1xiq h SER 110 CO 0.01 0.63 -0.68 0.29 -0.87 0.00 0.00 176.83 176.21 1xiq n LYS 111 N -3.83 1.46 -0.80 4.77 4.76 -0.49 -4.91 118.16 119.12 1xiq n LYS 111 Ca -0.01 -4.17 -0.04 0.00 -2.87 0.00 0.00 58.31 51.21 1xiq n LYS 111 Cb 0.61 -2.13 0.20 0.00 -1.84 0.00 0.00 35.03 31.87 1xiq n LYS 111 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1xiq n ASN 112 N 2.11 2.58 0.00 4.39 2.04 -1.21 -4.36 115.26 120.80 1xiq n ASN 112 Ca 0.23 -3.74 0.00 0.00 -0.44 0.00 0.00 54.58 50.63 1xiq n ASN 112 Cb 0.39 -0.64 0.00 0.00 -2.53 0.00 0.00 39.78 37.00 1xiq n ASN 112 CO 0.00 0.00 0.00 1.33 -0.44 0.00 0.00 177.26 178.15 1xiq n VAL 113 N -1.09 0.00 -4.04 3.53 0.24 -1.26 -4.77 118.33 110.93 1xiq n VAL 113 Ca 0.33 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.53 1xiq n VAL 113 Cb 1.05 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 33.31 1xiq n VAL 113 CO 0.00 0.00 0.00 -0.51 -2.14 0.00 0.00 176.83 174.18 1xiq s ILE 114 N 0.00 0.36 -0.01 1.34 2.07 -1.26 0.13 121.20 123.83 1xiq s ILE 114 Ca 0.00 -1.15 0.04 0.00 -1.41 0.00 0.00 60.65 58.13 1xiq s ILE 114 Cb 0.00 -0.64 -0.03 0.00 0.13 0.00 0.00 42.46 41.92 1xiq s ILE 114 CO 0.00 -0.52 -0.11 -2.28 -1.91 0.00 0.00 174.94 170.12 1xiq s HIS 115 N -1.81 2.77 0.02 3.50 5.65 0.89 -4.86 115.29 121.45 1xiq s HIS 115 Ca -0.09 -0.11 0.04 0.00 0.25 0.00 0.00 55.06 55.15 1xiq s HIS 115 Cb -0.07 -1.60 -0.02 0.00 -1.18 0.00 0.00 32.58 29.71 1xiq s HIS 115 CO -0.01 0.29 -0.12 0.20 -0.65 0.00 0.00 174.74 174.45 1xiq s GLY 116 N -1.15 0.65 0.33 1.59 0.00 -1.26 -1.87 107.32 105.61 1xiq s GLY 116 Ca 0.14 -0.68 -0.29 0.00 0.00 0.00 0.00 44.72 43.89 1xiq s GLY 116 CO 0.04 -0.65 1.52 -0.56 0.00 0.00 0.00 173.10 173.46 1xiq s SER 117 N -0.89 6.38 0.11 1.64 0.01 -1.10 -4.94 113.70 114.92 1xiq s SER 117 Ca 0.01 2.98 0.14 0.00 1.31 0.00 0.00 55.95 60.39 1xiq s SER 117 Cb -0.07 -2.65 -0.10 0.00 0.21 0.00 0.00 66.02 63.41 1xiq s SER 117 CO 0.01 -0.87 1.03 -2.24 0.41 0.00 0.00 173.24 171.58 1xiq h ASP 118 N 3.89 0.00 -5.32 2.44 2.03 -1.92 -3.44 116.42 114.09 1xiq h ASP 118 Ca -0.49 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 55.68 1xiq h ASP 118 Cb 1.23 0.00 -0.13 0.00 -0.83 0.00 0.00 39.33 39.60 1xiq h ASP 118 CO 0.71 0.66 -0.42 -0.94 -1.03 0.00 0.00 179.24 178.23 1xiq s SER 119 N -6.12 0.11 0.25 4.15 1.04 -1.26 -4.95 113.70 106.91 1xiq s SER 119 Ca -0.01 -0.99 -0.05 0.00 0.48 0.00 0.00 55.95 55.38 1xiq s SER 119 Cb 0.08 0.40 0.31 0.00 0.10 0.00 0.00 66.02 66.91 1xiq s SER 119 CO 0.80 -0.86 1.89 0.58 0.98 0.00 0.00 173.24 176.63 1xiq h VAL 120 N 2.62 1.15 -0.65 5.02 2.07 -1.93 0.10 116.25 124.64 1xiq h VAL 120 Ca -0.33 -0.41 -0.08 0.00 0.82 0.00 0.00 66.70 66.71 1xiq h VAL 120 Cb 1.22 -0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1xiq h VAL 120 CO 0.51 0.22 0.09 0.00 0.02 0.00 0.00 177.57 178.41 1xiq h ALA 121 N 1.39 0.87 -0.21 1.67 0.00 -1.97 -2.00 119.26 119.01 1xiq h ALA 121 Ca 0.38 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1xiq h ALA 121 Cb 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1xiq h ALA 121 CO -0.13 0.64 -0.35 0.77 0.00 0.00 0.00 179.25 180.19 1xiq h SER 122 N 1.01 0.46 0.31 0.00 0.02 -1.85 -3.05 113.55 110.45 1xiq h SER 122 Ca 0.20 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1xiq h SER 122 Cb 0.45 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1xiq h SER 122 CO 0.01 0.78 -0.15 0.00 -1.14 0.00 0.00 176.83 176.33 1xiq h ALA 123 N 1.25 -0.42 -0.81 3.77 0.00 -0.44 -1.57 119.26 121.05 1xiq h ALA 123 Ca 0.04 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 54.89 1xiq h ALA 123 Cb 0.79 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 1xiq h ALA 123 CO 0.06 -0.64 0.53 -0.91 0.00 0.00 0.00 179.25 178.29 1xiq h ASN 124 N -0.62 0.71 -0.24 0.00 2.35 -1.41 0.13 115.58 116.50 1xiq h ASN 124 Ca -0.04 0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.61 1xiq h ASN 124 Cb 0.45 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.68 1xiq h ASN 124 CO 0.07 0.43 -0.27 0.11 -1.65 0.00 0.00 177.43 176.12 1xiq h LYS 125 N 0.79 0.61 -0.37 0.81 1.57 -1.51 -3.01 116.57 115.46 1xiq h LYS 125 Ca 0.36 -0.34 -0.12 0.00 -1.87 0.00 0.00 60.65 58.69 1xiq h LYS 125 Cb 0.37 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1xiq h LYS 125 CO -0.14 0.94 -0.26 0.93 -0.57 0.00 0.00 179.45 180.35 1xiq h GLU 126 N 0.31 0.76 -0.32 3.15 5.08 -0.17 -2.62 114.58 120.77 1xiq h GLU 126 Ca 0.03 -0.33 0.04 0.00 -1.00 0.00 0.00 59.36 58.11 1xiq h GLU 126 Cb 0.84 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.03 1xiq h GLU 126 CO 0.07 0.94 0.10 0.82 -1.00 0.00 0.00 179.01 179.94 1xiq h ILE 127 N 0.66 0.90 -0.97 3.13 2.04 -0.88 -2.35 117.51 120.04 1xiq h ILE 127 Ca 0.08 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 65.88 1xiq h ILE 127 Cb 0.78 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 37.45 1xiq h ILE 127 CO 0.06 0.04 0.64 0.78 0.00 0.00 0.00 178.15 179.68 1xiq h ASN 128 N 0.24 1.09 1.05 1.72 4.21 -1.36 0.11 115.58 122.64 1xiq h ASN 128 Ca 0.14 -0.02 -0.20 0.00 1.21 0.00 0.00 56.30 57.43 1xiq h ASN 128 Cb 0.12 -0.26 -0.03 0.00 -1.12 0.00 0.00 38.32 37.03 1xiq h ASN 128 CO -0.16 0.78 -0.94 0.16 -1.29 0.00 0.00 177.43 175.98 1xiq h ILE 129 N 1.28 1.62 0.03 2.81 3.07 -1.34 -3.36 117.51 121.63 1xiq h ILE 129 Ca 0.37 -3.28 -0.32 0.00 1.55 0.00 0.00 64.86 63.19 1xiq h ILE 129 Cb -0.09 2.79 -0.04 0.00 -0.27 0.00 0.00 36.82 39.21 1xiq h ILE 129 CO -0.09 0.92 -1.83 0.79 -1.05 0.00 0.00 178.15 176.89 1xiq n TRP 130 N -3.35 1.01 -4.31 0.16 7.02 -0.90 -4.96 117.44 112.11 1xiq n TRP 130 Ca 0.00 0.32 -0.22 0.00 -1.02 0.00 0.00 57.50 56.58 1xiq n TRP 130 Cb 0.91 -1.17 -0.12 0.00 -2.42 0.00 0.00 31.31 28.52 1xiq n TRP 130 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1xiq s PHE 131 N -2.58 1.78 0.41 -5.99 0.08 0.37 -5.10 117.98 106.96 1xiq s PHE 131 Ca -0.10 -0.46 -0.09 0.00 0.12 0.00 0.00 56.93 56.40 1xiq s PHE 131 Cb 0.08 -0.92 -0.06 0.00 -0.57 0.00 0.00 43.02 41.55 1xiq s PHE 131 CO 0.81 0.29 0.76 0.15 -0.10 0.00 0.00 175.22 177.12 1xiq s LYS 132 N -2.55 3.71 0.22 0.44 1.02 -1.26 -4.50 119.74 116.82 1xiq s LYS 132 Ca 0.13 0.37 -0.08 0.00 0.02 0.00 0.00 55.97 56.41 1xiq s LYS 132 Cb -0.07 -2.41 0.30 0.00 -0.52 0.00 0.00 37.83 35.14 1xiq s LYS 132 CO 0.06 -0.06 1.78 0.00 -0.92 0.00 0.00 175.35 176.21 1xiq h ALA 133 N 1.05 0.93 -0.16 5.17 0.00 -1.95 -1.41 119.26 122.89 1xiq h ALA 133 Ca -0.47 0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.53 1xiq h ALA 133 Cb 1.19 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1xiq h ALA 133 CO 0.63 -0.04 0.12 1.49 0.00 0.00 0.00 179.25 181.46 1xiq h GLU 134 N 0.60 0.00 -0.54 0.00 4.57 -2.04 -2.50 114.58 114.67 1xiq h GLU 134 Ca 0.33 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.40 1xiq h GLU 134 Cb 0.32 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.89 1xiq h GLU 134 CO -0.25 0.00 -0.10 0.93 -1.18 0.00 0.00 179.01 178.41 1xiq h GLU 135 N 0.00 1.02 -6.27 1.92 5.08 -1.64 -3.42 114.58 111.27 1xiq h GLU 135 Ca 0.08 -0.37 -0.57 0.00 -1.00 0.00 0.00 59.36 57.50 1xiq h GLU 135 Cb 0.32 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1xiq h GLU 135 CO -0.00 1.06 1.19 -0.51 -1.00 0.00 0.00 179.01 179.75 1xiq s LEU 136 N -9.19 3.81 -0.03 1.33 1.43 -0.94 -4.72 118.68 110.37 1xiq s LEU 136 Ca -0.11 1.63 -0.18 0.00 -1.03 0.00 0.00 54.13 54.44 1xiq s LEU 136 Cb 0.13 -3.53 -0.05 0.00 0.03 0.00 0.00 46.19 42.77 1xiq s LEU 136 CO 0.86 -1.39 0.51 0.42 0.23 0.00 0.00 176.35 176.98 1xiq s THR 137 N 5.72 5.01 -0.26 5.49 -4.23 0.28 -5.03 115.64 122.62 1xiq s THR 137 Ca 0.76 1.06 -0.15 0.00 -1.18 0.00 0.00 61.69 62.18 1xiq s THR 137 Cb -0.26 -3.84 -0.04 0.00 1.34 0.00 0.00 72.50 69.70 1xiq s THR 137 CO 0.31 0.44 0.37 -1.10 -0.54 0.00 0.00 174.62 174.11 1xiq s GLN 138 N -0.24 4.05 -0.01 3.99 -0.21 -1.26 -4.79 119.66 121.18 1xiq s GLN 138 Ca 0.27 0.06 -0.10 0.00 0.02 0.00 0.00 55.36 55.62 1xiq s GLN 138 Cb -0.17 -3.63 0.01 0.00 1.00 0.00 0.00 33.01 30.22 1xiq s GLN 138 CO 0.14 -0.23 0.21 1.67 -2.12 0.00 0.00 175.29 174.96 1xiq s TRP 139 N 1.91 -0.07 -0.31 0.91 1.48 -1.26 -5.13 118.94 116.48 1xiq s TRP 139 Ca 0.16 0.10 -0.26 0.00 -1.06 0.00 0.00 56.10 55.04 1xiq s TRP 139 Cb -0.16 0.02 0.01 0.00 -1.16 0.00 0.00 33.47 32.18 1xiq s TRP 139 CO 0.09 -0.30 0.89 0.21 -4.06 0.00 0.00 176.95 173.79 1xiq s LYS 140 N -1.17 4.01 -0.32 3.25 2.20 -1.26 -5.01 119.74 121.44 1xiq s LYS 140 Ca -0.12 0.78 -0.29 0.00 -0.36 0.00 0.00 55.97 55.98 1xiq s LYS 140 Cb -0.06 -3.73 0.01 0.00 -1.51 0.00 0.00 37.83 32.54 1xiq s LYS 140 CO 0.02 -0.75 1.26 -1.58 -0.36 0.00 0.00 175.35 173.94 1xiq s HIS 141 N 3.20 2.76 0.35 4.03 5.65 -1.26 -4.91 115.29 125.11 1xiq s HIS 141 Ca 0.37 0.91 0.06 0.00 0.25 0.00 0.00 55.06 56.66 1xiq s HIS 141 Cb -0.13 -3.91 0.65 0.00 -1.18 0.00 0.00 32.58 28.00 1xiq s HIS 141 CO 0.13 -1.53 1.87 1.25 -0.65 0.00 0.00 174.74 175.81 1xiq h HIS 142 N 9.12 0.41 -0.00 3.88 2.76 -2.05 -2.89 115.15 126.37 1xiq h HIS 142 Ca -0.25 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 57.87 1xiq h HIS 142 Cb 1.09 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.94 1xiq h HIS 142 CO 0.88 0.49 -0.05 -0.12 -1.30 0.00 0.00 177.93 177.83 1xiq n MET 143 N -4.25 0.07 0.20 5.26 1.56 -1.26 -3.93 117.12 114.77 1xiq n MET 143 Ca 0.00 -0.01 0.13 0.00 -0.27 0.00 0.00 57.70 57.55 1xiq n MET 143 Cb 0.28 -1.50 0.71 0.00 2.15 0.00 0.00 33.22 34.86 1xiq n MET 143 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 1xiq h LYS 144 N 0.02 0.00 -0.92 2.12 1.63 -1.90 0.39 116.57 117.90 1xiq h LYS 144 Ca 0.00 0.00 0.15 0.00 -0.85 0.00 0.00 60.65 59.95 1xiq h LYS 144 Cb 0.47 0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 32.02 1xiq h LYS 144 CO 0.00 0.00 0.59 1.49 -3.45 0.00 0.00 179.45 178.08 1xiq h GLU 145 N 0.00 0.69 -0.45 1.90 4.81 -1.80 -0.15 114.58 119.58 1xiq h GLU 145 Ca 0.07 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1xiq h GLU 145 Cb 0.30 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1xiq h GLU 145 CO -0.00 0.46 0.00 0.91 -0.73 0.00 0.00 179.01 179.65 1xiq n TRP 146 N -4.59 0.59 -0.01 0.92 7.02 0.11 -4.17 117.44 117.31 1xiq n TRP 146 Ca 0.19 -0.33 -0.02 0.00 -1.02 0.00 0.00 57.50 56.32 1xiq n TRP 146 Cb 0.49 -0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.36 1xiq n TRP 146 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 1xiq n ILE 147 N 1.38 0.19 -4.13 -0.99 5.41 -1.00 -5.09 119.36 115.12 1xiq n ILE 147 Ca 0.19 -0.10 -0.15 0.00 1.00 0.00 0.00 62.75 63.68 1xiq n ILE 147 Cb 0.57 -0.86 -0.02 0.00 -0.71 0.00 0.00 39.64 38.62 1xiq n ILE 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55