#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 4.23 -0.02 2.12 2.12 -1.25 -4.76 118.70 121.15 1xiq s GLU 2 Ca 0.00 2.30 0.04 0.00 0.36 0.00 0.00 54.97 57.67 1xiq s GLU 2 Cb 0.00 -3.21 -0.03 0.00 0.26 0.00 0.00 34.13 31.15 1xiq s GLU 2 CO 0.00 -0.59 -0.11 0.15 -0.54 0.00 0.00 175.26 174.17 1xiq s LYS 3 N 1.27 2.48 0.08 4.30 1.02 -1.26 -1.13 119.74 126.49 1xiq s LYS 3 Ca 0.69 -0.73 0.04 0.00 0.02 0.00 0.00 55.97 55.99 1xiq s LYS 3 Cb -0.42 -2.42 -0.03 0.00 -0.52 0.00 0.00 37.83 34.44 1xiq s LYS 3 CO 0.31 0.61 -0.12 0.45 -0.92 0.00 0.00 175.35 175.68 1xiq s SER 4 N -1.10 1.46 -0.29 2.83 0.15 -0.41 -4.70 113.70 111.63 1xiq s SER 4 Ca 0.14 -0.68 -0.13 0.00 0.70 0.00 0.00 55.95 55.98 1xiq s SER 4 Cb -0.11 -0.01 -0.04 0.00 -1.71 0.00 0.00 66.02 64.15 1xiq s SER 4 CO 0.04 -0.17 0.27 0.12 1.20 0.00 0.00 173.24 174.71 1xiq s PHE 5 N -1.72 3.23 -0.13 3.44 5.36 -1.26 -1.77 117.98 125.13 1xiq s PHE 5 Ca -0.01 0.14 0.02 0.00 -0.96 0.00 0.00 56.93 56.12 1xiq s PHE 5 Cb -0.07 -2.49 -0.00 0.00 -0.34 0.00 0.00 43.02 40.12 1xiq s PHE 5 CO 0.01 -0.24 -0.19 0.42 -1.46 0.00 0.00 175.22 173.76 1xiq s ILE 6 N 1.88 2.42 -0.10 3.12 1.09 -0.58 -2.80 121.20 126.23 1xiq s ILE 6 Ca 0.10 -0.87 -0.01 0.00 -1.10 0.00 0.00 60.65 58.77 1xiq s ILE 6 Cb -0.16 -1.98 0.03 0.00 -1.06 0.00 0.00 42.46 39.28 1xiq s ILE 6 CO 0.11 0.54 -0.05 -0.32 -0.10 0.00 0.00 174.94 175.12 1xiq s MET 7 N 0.56 1.17 -0.32 2.79 1.75 -0.75 -0.38 119.30 124.12 1xiq s MET 7 Ca -0.12 -0.12 -0.29 0.00 -1.25 0.00 0.00 55.69 53.92 1xiq s MET 7 Cb -0.16 -1.35 0.01 0.00 2.84 0.00 0.00 34.83 36.16 1xiq s MET 7 CO 0.04 -0.28 1.21 0.42 -0.65 0.00 0.00 175.02 175.75 1xiq s ILE 8 N 1.81 4.28 0.98 10.11 1.01 -0.43 -0.26 121.20 138.71 1xiq s ILE 8 Ca 0.05 1.46 -0.12 0.00 0.00 0.00 0.00 60.65 62.04 1xiq s ILE 8 Cb -0.12 -4.28 0.18 0.00 0.01 0.00 0.00 42.46 38.25 1xiq s ILE 8 CO -0.07 -0.51 1.08 -0.54 0.00 0.00 0.00 174.94 174.91 1xiq s LYS 9 N 3.98 0.53 0.27 2.79 1.02 0.38 -2.02 119.74 126.69 1xiq s LYS 9 Ca 0.52 0.81 0.00 0.00 0.02 0.00 0.00 55.97 57.32 1xiq s LYS 9 Cb -0.14 -1.73 0.54 0.00 -0.52 0.00 0.00 37.83 35.98 1xiq s LYS 9 CO 0.21 -2.74 1.81 -1.35 -0.92 0.00 0.00 175.35 172.36 1xiq h PRO 10 N -1.91 0.82 0.00 -1.68 0.11 -1.81 -0.48 132.00 127.06 1xiq h PRO 10 Ca -0.53 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.49 1xiq h PRO 10 Cb 1.31 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1xiq h PRO 10 CO 0.53 0.54 -0.20 0.38 -0.21 0.00 0.00 178.00 179.05 1xiq h ASP 11 N 0.85 0.00 -0.53 -2.05 2.03 -1.88 -0.24 116.42 114.59 1xiq h ASP 11 Ca 0.48 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.72 1xiq h ASP 11 Cb 0.55 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.02 1xiq h ASP 11 CO -0.30 0.20 0.12 1.23 -1.03 0.00 0.00 179.24 179.46 1xiq h GLY 12 N 0.86 0.92 1.54 7.15 0.00 -1.25 -2.53 103.07 109.75 1xiq h GLY 12 Ca -0.00 -0.59 -0.17 0.00 0.00 0.00 0.00 47.33 46.57 1xiq h GLY 12 CO 0.03 0.54 -0.62 -2.08 0.00 0.00 0.00 176.54 174.41 1xiq h VAL 13 N 0.75 1.35 -0.71 4.60 2.07 -1.18 -1.09 116.25 122.04 1xiq h VAL 13 Ca 0.17 -1.94 -0.04 0.00 0.82 0.00 0.00 66.70 65.71 1xiq h VAL 13 Cb 0.35 1.92 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 1xiq h VAL 13 CO 0.00 0.59 0.28 1.56 0.02 0.00 0.00 177.57 180.02 1xiq h GLN 14 N 0.35 1.06 -0.11 1.57 1.08 -1.02 -2.49 115.11 115.54 1xiq h GLN 14 Ca -0.01 -0.19 0.00 0.00 -1.45 0.00 0.00 58.65 57.00 1xiq h GLN 14 Cb 1.17 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 28.43 1xiq h GLN 14 CO 0.11 0.88 0.00 0.54 -0.95 0.00 0.00 178.83 179.41 1xiq n ARG 15 N -4.36 1.48 -3.33 1.46 1.74 -0.96 -4.93 116.66 107.76 1xiq n ARG 15 Ca 0.05 -0.72 -0.16 0.00 -0.77 0.00 0.00 57.85 56.26 1xiq n ARG 15 Cb 0.18 -1.36 0.08 0.00 -1.02 0.00 0.00 32.46 30.35 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 1.01 -0.40 0.73 -0.13 0.00 -0.94 -4.94 105.19 100.53 1xiq n GLY 16 Ca 0.15 0.12 0.07 0.00 0.00 0.00 0.00 46.02 46.36 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 -3.86 2.95 0.36 0.99 4.77 -0.42 -4.70 117.00 117.08 1xiq n LEU 17 Ca -0.25 -1.84 -0.17 0.00 -0.03 0.00 0.00 56.01 53.72 1xiq n LEU 17 Cb 0.66 -0.23 -0.09 0.00 -2.33 0.00 0.00 43.42 41.43 1xiq n LEU 17 CO 0.57 0.71 0.61 0.58 -1.33 0.00 0.00 177.39 178.54 1xiq h VAL 18 N 2.46 0.33 0.13 4.08 2.07 -1.90 0.10 116.25 123.52 1xiq h VAL 18 Ca 0.00 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.45 1xiq h VAL 18 Cb 0.74 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 1xiq h VAL 18 CO 0.00 0.01 -0.39 1.23 0.02 0.00 0.00 177.57 178.45 1xiq h GLY 19 N -0.94 -0.77 -0.49 2.17 0.00 -1.97 -1.66 103.07 99.41 1xiq h GLY 19 Ca -0.09 0.46 0.13 0.00 0.00 0.00 0.00 47.33 47.83 1xiq h GLY 19 CO 0.15 -0.27 -0.28 -0.84 0.00 0.00 0.00 176.54 175.30 1xiq h THR 20 N -0.63 0.19 0.11 4.70 2.02 -1.85 0.27 112.91 117.73 1xiq h THR 20 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.21 1xiq h THR 20 Cb 0.65 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1xiq h THR 20 CO -0.22 0.00 -0.10 0.40 0.37 0.00 0.00 175.52 175.97 1xiq h ILE 21 N -0.09 0.76 0.13 3.11 2.04 -0.74 -2.22 117.51 120.51 1xiq h ILE 21 Ca 0.29 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.16 1xiq h ILE 21 Cb 0.55 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1xiq h ILE 21 CO -0.73 0.00 -0.19 0.40 0.00 0.00 0.00 178.15 177.63 1xiq h ILE 22 N -0.24 0.58 -0.96 -0.67 2.04 -0.63 -1.27 117.51 116.36 1xiq h ILE 22 Ca 0.00 0.00 0.30 0.00 1.00 0.00 0.00 64.86 66.16 1xiq h ILE 22 Cb 0.22 0.58 -0.17 0.00 -0.74 0.00 0.00 36.82 36.71 1xiq h ILE 22 CO -0.02 0.00 0.25 0.50 0.00 0.00 0.00 178.15 178.88 1xiq h LYS 23 N -0.37 0.09 -0.77 2.37 3.64 -0.37 0.31 116.57 121.46 1xiq h LYS 23 Ca 0.02 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 1xiq h LYS 23 Cb 0.38 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 1xiq h LYS 23 CO -0.09 0.06 0.30 0.00 -2.27 0.00 0.00 179.45 177.45 1xiq h ARG 24 N 0.09 1.15 0.00 1.90 3.08 -0.61 -0.48 114.38 119.52 1xiq h ARG 24 Ca 0.65 -0.21 -0.24 0.00 0.07 0.00 0.00 59.98 60.25 1xiq h ARG 24 Cb 1.46 -0.19 0.01 0.00 0.08 0.00 0.00 29.97 31.34 1xiq h ARG 24 CO -0.78 0.94 -0.99 0.74 -1.07 0.00 0.00 179.97 178.81 1xiq h PHE 25 N 1.12 0.80 -0.14 3.04 -1.00 -0.09 -3.04 116.94 117.63 1xiq h PHE 25 Ca 0.26 -0.44 -0.00 0.00 2.81 0.00 0.00 57.97 60.60 1xiq h PHE 25 Cb 0.23 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 39.69 1xiq h PHE 25 CO 0.02 1.27 0.09 0.93 -1.61 0.00 0.00 178.31 179.00 1xiq h GLU 26 N 0.30 0.19 0.00 1.51 5.08 -0.40 -3.01 114.58 118.25 1xiq h GLU 26 Ca -0.10 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1xiq h GLU 26 Cb 1.64 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.85 1xiq h GLU 26 CO 0.18 0.17 -0.09 0.87 -1.00 0.00 0.00 179.01 179.14 1xiq h LYS 27 N 0.16 0.00 0.00 2.33 1.57 -1.11 -0.42 116.57 119.09 1xiq h LYS 27 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1xiq h LYS 27 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1xiq h LYS 27 CO -0.01 0.09 0.00 -0.22 -0.57 0.00 0.00 179.45 178.74 1xiq h LYS 28 N 0.00 0.00 0.00 3.15 1.63 -1.41 -3.46 116.57 116.48 1xiq h LYS 28 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1xiq h LYS 28 Cb 0.52 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 1xiq h LYS 28 CO 0.01 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.42 1xiq n GLY 29 N 0.19 0.87 3.94 5.01 0.00 -0.17 -5.09 105.19 109.93 1xiq n GLY 29 Ca 0.02 -0.22 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 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 3.38 -0.32 1.61 2.02 -1.15 -5.00 117.35 115.88 1xiq s TYR 30 Ca 0.00 0.41 -0.03 0.00 -0.37 0.00 0.00 57.07 57.08 1xiq s TYR 30 Cb 0.00 -2.21 0.06 0.00 -0.40 0.00 0.00 41.96 39.40 1xiq s TYR 30 CO 0.00 -0.23 0.05 0.21 -1.57 0.00 0.00 175.55 174.01 1xiq s LYS 31 N -4.55 2.42 -0.04 -0.62 2.20 -0.54 -4.65 119.74 113.96 1xiq s LYS 31 Ca 0.46 -1.32 -0.30 0.00 -0.36 0.00 0.00 55.97 54.45 1xiq s LYS 31 Cb -0.10 -3.30 -0.04 0.00 -1.51 0.00 0.00 37.83 32.89 1xiq s LYS 31 CO 0.39 -0.69 1.28 -1.17 -0.36 0.00 0.00 175.35 174.81 1xiq s LEU 32 N 1.27 4.29 0.00 5.43 2.96 -1.26 -0.12 118.68 131.24 1xiq s LEU 32 Ca -0.03 1.93 0.00 0.00 -0.22 0.00 0.00 54.13 55.81 1xiq s LEU 32 Cb -0.20 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 42.93 1xiq s LEU 32 CO -0.01 -0.65 0.00 2.30 -1.32 0.00 0.00 176.35 176.68 1xiq n ILE 33 N 4.68 0.00 -3.69 6.68 -5.35 -0.74 -4.97 119.36 115.97 1xiq n ILE 33 Ca 0.12 -0.19 -0.14 0.00 -0.27 0.00 0.00 62.75 62.27 1xiq n ILE 33 Cb 0.45 0.69 -0.09 0.00 -1.74 0.00 0.00 39.64 38.95 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 -1.52 -1.35 -0.16 -1.28 0.00 -1.15 -0.76 121.76 115.54 1xiq s ALA 34 Ca 0.00 1.53 -0.14 0.00 0.00 0.00 0.00 51.96 53.35 1xiq s ALA 34 Cb 0.00 -0.88 0.04 0.00 0.00 0.00 0.00 23.12 22.28 1xiq s ALA 34 CO 0.00 -0.26 0.42 -1.50 0.00 0.00 0.00 175.76 174.42 1xiq s ILE 35 N 0.26 -0.00 -0.11 0.00 2.07 -1.26 -0.67 121.20 121.49 1xiq s ILE 35 Ca -0.00 0.00 -0.26 0.00 -1.41 0.00 0.00 60.65 58.98 1xiq s ILE 35 Cb -0.04 -0.59 0.06 0.00 0.13 0.00 0.00 42.46 42.02 1xiq s ILE 35 CO 0.01 0.00 0.62 -1.59 -1.91 0.00 0.00 174.94 172.07 1xiq s LYS 36 N 0.28 0.90 -0.15 3.50 -2.85 -0.34 -4.99 119.74 116.10 1xiq s LYS 36 Ca -0.00 0.42 -0.04 0.00 -1.00 0.00 0.00 55.97 55.34 1xiq s LYS 36 Cb -0.03 0.43 -0.03 0.00 -2.06 0.00 0.00 37.83 36.13 1xiq s LYS 36 CO -0.00 -0.23 0.01 1.41 0.10 0.00 0.00 175.35 176.64 1xiq s MET 37 N -0.68 3.59 0.03 1.78 -2.45 -1.26 -0.37 119.30 119.94 1xiq s MET 37 Ca -0.08 -0.43 -0.19 0.00 -1.25 0.00 0.00 55.69 53.75 1xiq s MET 37 Cb -0.02 -2.98 0.04 0.00 1.25 0.00 0.00 34.83 33.11 1xiq s MET 37 CO 0.06 0.38 0.42 -0.48 1.05 0.00 0.00 175.02 176.45 1xiq s LEU 38 N 0.02 0.39 -0.55 4.11 2.34 -0.87 -5.01 118.68 119.10 1xiq s LEU 38 Ca 0.03 0.06 -0.17 0.00 0.06 0.00 0.00 54.13 54.11 1xiq s LEU 38 Cb -0.13 1.73 0.11 0.00 -0.56 0.00 0.00 46.19 47.35 1xiq s LEU 38 CO 0.02 -0.63 0.57 0.20 -1.06 0.00 0.00 176.35 175.45 1xiq s ASN 39 N -1.86 6.19 0.20 1.48 0.01 -1.26 -2.23 114.94 117.46 1xiq s ASN 39 Ca -0.07 -1.59 -0.32 0.00 -0.71 0.00 0.00 52.86 50.18 1xiq s ASN 39 Cb -0.01 -2.24 -0.11 0.00 0.41 0.00 0.00 41.25 39.29 1xiq s ASN 39 CO -0.01 -0.94 1.63 -2.84 -1.51 0.00 0.00 177.10 173.44 1xiq s PRO 40 N 2.04 4.17 0.47 -0.60 0.02 -1.26 -4.97 135.00 134.86 1xiq s PRO 40 Ca 0.07 2.48 -0.21 0.00 0.02 0.00 0.00 61.00 63.36 1xiq s PRO 40 Cb -0.27 -3.11 -0.09 0.00 0.02 0.00 0.00 34.50 31.05 1xiq s PRO 40 CO 0.05 -0.66 1.01 0.95 -0.33 0.00 0.00 177.00 178.02 1xiq s THR 41 N 1.01 3.97 0.32 0.99 -4.23 -1.26 -4.28 115.64 112.15 1xiq s THR 41 Ca 0.71 1.23 0.09 0.00 -1.18 0.00 0.00 61.69 62.54 1xiq s THR 41 Cb -0.47 -3.50 0.32 0.00 1.34 0.00 0.00 72.50 70.20 1xiq s THR 41 CO 0.33 -0.26 1.65 -0.33 -0.54 0.00 0.00 174.62 175.48 1xiq h GLU 42 N 1.69 0.26 0.18 3.99 4.39 -1.93 -0.99 114.58 122.17 1xiq h GLU 42 Ca -0.49 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.20 1xiq h GLU 42 Cb 1.21 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.76 1xiq h GLU 42 CO 0.60 0.17 -0.45 0.93 -1.16 0.00 0.00 179.01 179.10 1xiq h GLU 43 N 0.27 -0.70 -0.18 2.33 5.08 -1.98 0.57 114.58 119.97 1xiq h GLU 43 Ca 0.65 0.05 0.01 0.00 -1.00 0.00 0.00 59.36 59.07 1xiq h GLU 43 Cb 1.41 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.80 1xiq h GLU 43 CO -0.63 -0.47 0.08 0.82 -1.00 0.00 0.00 179.01 177.81 1xiq h ILE 44 N -0.72 0.98 0.00 3.13 2.04 -1.59 -2.84 117.51 118.51 1xiq h ILE 44 Ca 0.00 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 1xiq h ILE 44 Cb 0.72 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 1xiq h ILE 44 CO -0.22 0.03 -0.12 -0.07 0.00 0.00 0.00 178.15 177.78 1xiq h LEU 45 N 0.18 0.00 -0.27 1.44 3.38 -1.00 0.88 115.31 119.93 1xiq h LEU 45 Ca 0.07 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.84 1xiq h LEU 45 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1xiq h LEU 45 CO -0.06 0.12 -0.82 0.11 0.09 0.00 0.00 178.44 177.88 1xiq h LYS 46 N 0.00 0.50 0.03 1.13 1.57 -0.66 -1.83 116.57 117.32 1xiq h LYS 46 Ca -0.00 -0.45 -0.22 0.00 -1.87 0.00 0.00 60.65 58.10 1xiq h LYS 46 Cb 0.30 0.11 0.02 0.00 0.08 0.00 0.00 32.23 32.73 1xiq h LYS 46 CO 0.02 1.09 -0.89 0.93 -0.57 0.00 0.00 179.45 180.02 1xiq h GLU 47 N 0.33 0.55 -0.82 3.15 5.08 -1.23 -2.63 114.58 119.01 1xiq h GLU 47 Ca -0.05 -0.63 -0.02 0.00 -1.00 0.00 0.00 59.36 57.66 1xiq h GLU 47 Cb 1.42 0.19 -0.04 0.00 0.50 0.00 0.00 28.75 30.82 1xiq h GLU 47 CO 0.15 1.25 0.45 1.25 -1.00 0.00 0.00 179.01 181.10 1xiq h HIS 48 N 0.13 1.12 -0.87 4.33 2.76 -0.91 -3.05 115.15 118.66 1xiq h HIS 48 Ca -0.12 -0.02 -0.60 0.00 -2.20 0.00 0.00 60.37 57.43 1xiq h HIS 48 Cb 1.58 -0.36 -0.34 0.00 1.55 0.00 0.00 27.41 29.85 1xiq h HIS 48 CO 0.13 0.77 0.15 0.66 -1.30 0.00 0.00 177.93 178.34 1xiq n TYR 49 N -4.34 2.92 0.03 5.26 4.01 -0.69 -4.73 117.16 119.62 1xiq n TYR 49 Ca 0.09 -2.61 -0.03 0.00 -0.16 0.00 0.00 57.90 55.19 1xiq n TYR 49 Cb 0.10 -0.95 0.23 0.00 -0.31 0.00 0.00 39.34 38.40 1xiq n TYR 49 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1xiq h LYS 50 N 1.99 0.45 0.00 -0.72 3.64 -1.35 -2.83 116.57 117.74 1xiq h LYS 50 Ca 0.50 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.69 1xiq h LYS 50 Cb 1.20 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1xiq h LYS 50 CO 1.19 0.65 -0.12 1.49 -2.27 0.00 0.00 179.45 180.39 1xiq h GLU 51 N 0.40 0.00 -0.96 1.90 4.81 -1.87 -3.08 114.58 115.78 1xiq h GLU 51 Ca 0.06 0.00 -0.44 0.00 -0.13 0.00 0.00 59.36 58.85 1xiq h GLU 51 Cb 0.63 0.00 -0.26 0.00 0.63 0.00 0.00 28.75 29.75 1xiq h GLU 51 CO 0.04 0.12 0.56 1.28 -0.73 0.00 0.00 179.01 180.28 1xiq n LEU 52 N -3.32 6.44 0.20 1.64 4.32 -1.07 -4.17 117.00 121.04 1xiq n LEU 52 Ca -0.00 -3.42 0.12 0.00 -0.02 0.00 0.00 56.01 52.69 1xiq n LEU 52 Cb 0.34 -0.81 0.24 0.00 -1.62 0.00 0.00 43.42 41.57 1xiq n LEU 52 CO 0.30 0.98 0.83 0.28 -1.22 0.00 0.00 177.39 178.56 1xiq h SER 53 N 1.27 0.00 -1.25 -1.43 0.02 -1.66 -3.32 113.55 107.17 1xiq h SER 53 Ca 0.54 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.92 1xiq h SER 53 Cb 2.68 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 65.02 1xiq h SER 53 CO 0.99 0.00 0.61 -0.67 -1.14 0.00 0.00 176.83 176.62 1xiq n ASP 54 N -2.95 6.85 -3.89 3.07 2.03 -1.26 -4.88 116.55 115.52 1xiq n ASP 54 Ca 0.04 -3.40 -0.13 0.00 0.52 0.00 0.00 54.79 51.81 1xiq n ASP 54 Cb 0.50 -1.15 -0.14 0.00 -0.72 0.00 0.00 41.12 39.60 1xiq n ASP 54 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1xiq s GLN 55 N -2.52 0.12 0.15 -0.67 0.74 -1.25 -5.07 119.66 111.17 1xiq s GLN 55 Ca 0.55 -0.05 -0.18 0.00 0.05 0.00 0.00 55.36 55.73 1xiq s GLN 55 Cb 0.39 -0.13 0.06 0.00 1.10 0.00 0.00 33.01 34.43 1xiq s GLN 55 CO -0.24 0.03 1.68 -1.35 -0.55 0.00 0.00 175.29 174.86 1xiq h PRO 56 N 6.16 0.01 -3.90 1.67 0.11 -1.92 -3.32 132.00 130.79 1xiq h PRO 56 Ca -0.26 -0.00 -0.78 0.00 0.11 0.00 0.00 66.00 65.07 1xiq h PRO 56 Cb 1.20 -0.00 -0.26 0.00 0.11 0.00 0.00 31.00 32.05 1xiq h PRO 56 CO 0.51 0.01 -0.00 -0.06 -0.21 0.00 0.00 178.00 178.24 1xiq s PHE 57 N -6.21 3.61 0.00 0.65 0.40 -1.26 -4.68 117.98 110.49 1xiq s PHE 57 Ca -0.14 -1.81 0.00 0.00 -0.60 0.00 0.00 56.93 54.39 1xiq s PHE 57 Cb 0.13 -3.80 0.00 0.00 0.51 0.00 0.00 43.02 39.86 1xiq s PHE 57 CO 0.70 -1.00 0.00 0.34 0.70 0.00 0.00 175.22 175.96 1xiq n PHE 58 N 4.33 0.00 0.24 0.36 7.35 -1.25 -4.44 117.46 124.04 1xiq n PHE 58 Ca 0.06 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.85 1xiq n PHE 58 Cb 0.45 0.00 0.59 0.00 0.35 0.00 0.00 39.48 40.87 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 0.00 0.00 -4.13 1.79 -1.90 -2.24 116.57 110.09 1xiq h LYS 59 Ca 0.00 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.22 1xiq h LYS 59 Cb 0.87 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.48 1xiq h LYS 59 CO 0.00 0.19 -1.55 -0.91 -1.08 0.00 0.00 179.45 176.11 1xiq h ASN 60 N 0.00 0.00 -0.11 0.86 4.21 -1.94 -3.28 115.58 115.32 1xiq h ASN 60 Ca -0.00 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.49 1xiq h ASN 60 Cb 0.51 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.70 1xiq h ASN 60 CO 0.03 0.88 0.01 0.25 -1.29 0.00 0.00 177.43 177.30 1xiq h LEU 61 N 0.00 0.18 0.00 1.61 5.85 -1.70 0.14 115.31 121.40 1xiq h LEU 61 Ca -0.23 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.21 1xiq h LEU 61 Cb 1.87 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.85 1xiq h LEU 61 CO 0.07 0.42 0.00 1.33 -0.34 0.00 0.00 178.44 179.93 1xiq n VAL 62 N -4.82 0.14 -0.03 1.05 0.24 -0.87 -2.89 118.33 111.16 1xiq n VAL 62 Ca -0.06 0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 1xiq n VAL 62 Cb 0.19 -0.81 -0.09 0.00 -1.47 0.00 0.00 33.84 31.66 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 -1.07 2.07 0.04 2.33 0.00 -0.72 -3.63 120.51 119.53 1xiq n ALA 63 Ca 0.10 -0.49 -0.09 0.00 0.00 0.00 0.00 53.44 52.95 1xiq n ALA 63 Cb 0.06 -0.17 -0.07 0.00 0.00 0.00 0.00 19.45 19.27 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 0.00 -0.18 -0.43 0.00 3.20 -0.61 -2.82 116.97 116.14 1xiq h TYR 64 Ca -0.15 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.68 1xiq h TYR 64 Cb 1.11 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.42 1xiq h TYR 64 CO 0.00 0.24 0.10 0.82 -1.64 0.00 0.00 178.16 177.67 1xiq h ILE 65 N -0.93 1.19 -0.05 1.81 2.04 -1.80 -0.64 117.51 119.14 1xiq h ILE 65 Ca -0.02 -0.69 0.01 0.00 1.00 0.00 0.00 64.86 65.16 1xiq h ILE 65 Cb 0.49 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1xiq h ILE 65 CO 0.03 0.25 0.04 -1.28 0.00 0.00 0.00 178.15 177.20 1xiq h SER 66 N 0.62 0.00 0.00 1.72 0.87 -1.65 -3.33 113.55 111.79 1xiq h SER 66 Ca 0.14 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1xiq h SER 66 Cb 0.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1xiq h SER 66 CO -0.00 0.00 0.00 1.17 -0.53 0.00 0.00 176.83 177.47 1xiq n LYS 67 N -4.10 0.00 -0.48 2.24 0.00 -0.29 -4.41 118.16 111.13 1xiq n LYS 67 Ca -0.02 0.32 -0.29 0.00 0.00 0.00 0.00 58.31 58.32 1xiq n LYS 67 Cb 0.14 -0.80 0.25 0.00 0.00 0.00 0.00 35.03 34.62 1xiq n LYS 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1xiq n GLY 68 N 2.09 -2.32 3.84 3.14 0.00 -0.97 -4.91 105.19 106.06 1xiq n GLY 68 Ca 0.00 -1.17 -0.32 0.00 0.00 0.00 0.00 46.02 44.53 1xiq n GLY 68 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xiq s PRO 69 N -4.23 3.98 -0.00 1.61 0.04 -1.26 -4.69 135.00 130.45 1xiq s PRO 69 Ca 0.66 0.87 0.01 0.00 0.04 0.00 0.00 61.00 62.59 1xiq s PRO 69 Cb -0.23 -2.22 -0.00 0.00 0.04 0.00 0.00 34.50 32.09 1xiq s PRO 69 CO 0.65 -0.13 -0.04 0.08 0.04 0.00 0.00 177.00 177.60 1xiq s VAL 70 N -2.42 0.33 -0.38 -0.36 1.01 -0.95 -2.85 120.40 114.78 1xiq s VAL 70 Ca 0.58 -0.17 -0.06 0.00 0.00 0.00 0.00 61.98 62.33 1xiq s VAL 70 Cb -0.10 -0.28 0.08 0.00 0.00 0.00 0.00 36.38 36.07 1xiq s VAL 70 CO 0.26 0.10 0.18 -0.69 0.00 0.00 0.00 175.10 174.94 1xiq s VAL 71 N -0.06 3.73 0.09 2.92 1.01 -0.86 -2.06 120.40 125.18 1xiq s VAL 71 Ca 0.01 -1.51 -0.21 0.00 0.00 0.00 0.00 61.98 60.27 1xiq s VAL 71 Cb -0.02 -3.30 -0.07 0.00 0.00 0.00 0.00 36.38 32.99 1xiq s VAL 71 CO -0.00 -0.44 0.62 0.00 0.00 0.00 0.00 175.10 175.29 1xiq s ALA 72 N 1.33 3.55 0.04 5.51 0.00 0.51 -1.31 121.76 131.37 1xiq s ALA 72 Ca 0.02 0.12 -0.02 0.00 0.00 0.00 0.00 51.96 52.09 1xiq s ALA 72 Cb -0.22 -2.72 -0.03 0.00 0.00 0.00 0.00 23.12 20.15 1xiq s ALA 72 CO 0.00 0.36 -0.00 -1.64 0.00 0.00 0.00 175.76 174.48 1xiq s MET 73 N -1.08 0.51 -0.08 0.00 -1.94 0.49 -1.20 119.30 116.00 1xiq s MET 73 Ca 0.31 -0.92 0.03 0.00 -1.71 0.00 0.00 55.69 53.39 1xiq s MET 73 Cb -0.20 0.18 0.01 0.00 2.01 0.00 0.00 34.83 36.83 1xiq s MET 73 CO 0.21 -0.10 -0.17 0.08 -0.01 0.00 0.00 175.02 175.02 1xiq s VAL 74 N -2.85 1.56 0.07 -6.03 1.01 0.15 -1.53 120.40 112.79 1xiq s VAL 74 Ca -0.03 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.31 1xiq s VAL 74 Cb 0.00 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 1xiq s VAL 74 CO -0.06 0.45 -0.21 0.26 0.00 0.00 0.00 175.10 175.54 1xiq s TRP 75 N 0.56 2.48 0.06 5.22 0.52 -0.73 -1.79 118.94 125.28 1xiq s TRP 75 Ca -0.16 -0.30 0.09 0.00 0.02 0.00 0.00 56.10 55.75 1xiq s TRP 75 Cb -0.17 -1.40 -0.03 0.00 -1.15 0.00 0.00 33.47 30.72 1xiq s TRP 75 CO 0.05 0.27 -0.23 -2.00 0.02 0.00 0.00 176.95 175.06 1xiq s GLU 76 N -1.62 1.48 0.00 4.98 2.12 0.82 -1.28 118.70 125.20 1xiq s GLU 76 Ca 0.15 -1.08 0.00 0.00 0.36 0.00 0.00 54.97 54.39 1xiq s GLU 76 Cb -0.10 -1.69 0.00 0.00 0.26 0.00 0.00 34.13 32.60 1xiq s GLU 76 CO 0.06 0.42 0.00 0.41 -0.54 0.00 0.00 175.26 175.61 1xiq n GLY 77 N 1.58 3.35 3.72 -1.50 0.00 -0.28 -1.47 105.19 110.59 1xiq n GLY 77 Ca -0.18 -1.22 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 1xiq n GLY 77 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1xiq n VAL 78 N -1.43 0.25 -3.86 1.61 3.14 -1.26 -2.10 118.33 114.68 1xiq n VAL 78 Ca 0.00 -0.06 -0.26 0.00 -2.96 0.00 0.00 64.34 61.06 1xiq n VAL 78 Cb 0.00 -1.97 0.01 0.00 -1.06 0.00 0.00 33.84 30.82 1xiq n VAL 78 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1xiq n ASP 79 N 3.51 -2.14 -0.10 6.55 2.03 -1.26 -4.90 116.55 120.24 1xiq n ASP 79 Ca 0.14 -0.86 -0.11 0.00 0.52 0.00 0.00 54.79 54.48 1xiq n ASP 79 Cb 0.35 -3.69 -0.03 0.00 -0.72 0.00 0.00 41.12 37.03 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 -1.90 0.50 0.25 -0.67 1.85 -1.66 -2.27 114.93 111.03 1xiq h MET 80 Ca -0.61 -0.15 -0.01 0.00 -0.61 0.00 0.00 59.70 58.32 1xiq h MET 80 Cb 1.37 -0.05 0.00 0.00 0.43 0.00 0.00 31.60 33.35 1xiq h MET 80 CO 0.62 0.64 -0.12 0.28 -0.40 0.00 0.00 176.91 177.93 1xiq h VAL 81 N 0.30 0.77 -0.49 -5.77 2.07 -1.87 -1.16 116.25 110.11 1xiq h VAL 81 Ca 0.08 -0.11 -0.09 0.00 0.82 0.00 0.00 66.70 67.40 1xiq h VAL 81 Cb 0.40 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1xiq h VAL 81 CO 0.01 0.03 -0.06 0.50 0.02 0.00 0.00 177.57 178.07 1xiq h LYS 82 N -0.39 0.90 -0.20 1.57 3.11 -1.88 -1.97 116.57 117.70 1xiq h LYS 82 Ca -0.03 -0.32 -0.13 0.00 -2.81 0.00 0.00 60.65 57.36 1xiq h LYS 82 Cb 0.30 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.45 1xiq h LYS 82 CO 0.06 0.96 -0.43 1.96 -2.81 0.00 0.00 179.45 179.19 1xiq h GLN 83 N 0.75 0.48 -0.35 1.90 1.08 -1.39 0.27 115.11 117.84 1xiq h GLN 83 Ca 0.13 -0.25 -0.02 0.00 -1.45 0.00 0.00 58.65 57.06 1xiq h GLN 83 Cb 0.59 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.02 1xiq h GLN 83 CO 0.04 0.82 0.15 0.78 -0.95 0.00 0.00 178.83 179.67 1xiq h GLY 84 N 1.11 0.56 0.81 3.46 0.00 -1.04 0.11 103.07 108.09 1xiq h GLY 84 Ca 0.03 -0.30 0.04 0.00 0.00 0.00 0.00 47.33 47.11 1xiq h GLY 84 CO 0.08 0.28 0.47 3.21 0.00 0.00 0.00 176.54 180.58 1xiq h ARG 85 N 0.42 0.87 -0.55 4.80 3.08 -1.01 -0.70 114.38 121.29 1xiq h ARG 85 Ca 0.12 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.05 1xiq h ARG 85 Cb 0.16 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 1xiq h ARG 85 CO -0.01 0.58 0.09 -0.22 -1.07 0.00 0.00 179.97 179.33 1xiq h LYS 86 N 0.90 0.90 -0.02 0.04 3.64 -0.44 0.11 116.57 121.70 1xiq h LYS 86 Ca 0.32 -0.24 -0.10 0.00 -1.27 0.00 0.00 60.65 59.36 1xiq h LYS 86 Cb 0.08 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1xiq h LYS 86 CO -0.14 0.88 -0.44 -0.07 -2.27 0.00 0.00 179.45 177.41 1xiq h LEU 87 N 0.79 0.05 0.00 5.20 4.07 -0.42 -3.23 115.31 121.77 1xiq h LEU 87 Ca 0.17 -0.02 -0.00 0.00 0.08 0.00 0.00 57.88 58.11 1xiq h LEU 87 Cb 0.41 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.14 1xiq h LEU 87 CO 0.01 0.48 -0.00 0.40 -1.08 0.00 0.00 178.44 178.25 1xiq h ILE 88 N 0.04 1.68 0.00 1.22 2.04 -0.82 -1.65 117.51 120.02 1xiq h ILE 88 Ca -0.00 -2.22 0.00 0.00 1.00 0.00 0.00 64.86 63.64 1xiq h ILE 88 Cb 0.79 3.16 0.00 0.00 -0.74 0.00 0.00 36.82 40.03 1xiq h ILE 88 CO 0.06 0.56 0.00 0.61 0.00 0.00 0.00 178.15 179.38 1xiq n GLY 89 N 1.55 -1.79 3.55 5.37 0.00 0.34 -1.54 105.19 112.67 1xiq n GLY 89 Ca -0.09 -2.20 -0.30 0.00 0.00 0.00 0.00 46.02 43.43 1xiq n GLY 89 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xiq n GLU 90 N -0.31 -1.50 -0.14 1.61 -0.58 -1.26 -4.86 120.64 113.60 1xiq n GLU 90 Ca 0.00 -0.39 -0.09 0.00 -0.42 0.00 0.00 57.16 56.26 1xiq n GLU 90 Cb 0.00 -2.23 -0.00 0.00 -0.57 0.00 0.00 31.44 28.64 1xiq n GLU 90 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1xiq h THR 91 N -2.29 1.19 -3.57 2.62 2.02 -1.98 -3.39 112.91 107.51 1xiq h THR 91 Ca -0.53 -0.58 -0.62 0.00 0.77 0.00 0.00 66.41 65.45 1xiq h THR 91 Cb 1.30 0.80 -0.13 0.00 -1.74 0.00 0.00 68.15 68.39 1xiq h THR 91 CO 0.45 0.21 0.29 0.21 0.37 0.00 0.00 175.52 177.05 1xiq s ASN 92 N -5.85 6.47 0.00 4.18 2.47 -1.26 -4.66 114.94 116.28 1xiq s ASN 92 Ca -0.13 0.14 0.08 0.00 0.42 0.00 0.00 52.86 53.36 1xiq s ASN 92 Cb 0.10 -2.37 0.35 0.00 -1.45 0.00 0.00 41.25 37.88 1xiq s ASN 92 CO 0.75 -0.74 1.22 -2.65 -3.72 0.00 0.00 177.10 171.96 1xiq n PRO 93 N 6.37 0.03 0.10 0.43 -0.02 -1.26 -1.95 135.00 138.70 1xiq n PRO 93 Ca 0.01 0.33 -0.18 0.00 -2.02 0.00 0.00 63.50 61.65 1xiq n PRO 93 Cb 0.48 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 32.34 1xiq n PRO 93 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1xiq h LEU 94 N 0.00 0.56 -0.31 2.45 -0.00 -1.84 -3.31 115.31 112.85 1xiq h LEU 94 Ca 0.00 -0.56 0.00 0.00 -0.00 0.00 0.00 57.88 57.32 1xiq h LEU 94 Cb 0.12 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 40.60 1xiq h LEU 94 CO 0.00 1.42 -0.54 0.35 -0.00 0.00 0.00 178.44 179.66 1xiq n THR 95 N -3.63 0.00 -2.69 0.22 -2.24 -0.82 -4.92 114.28 100.20 1xiq n THR 95 Ca -0.10 -0.08 -0.40 0.00 -2.27 0.00 0.00 64.05 61.20 1xiq n THR 95 Cb 1.00 0.64 -0.05 0.00 -2.10 0.00 0.00 70.33 69.81 1xiq n THR 95 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1xiq s SER 96 N -2.77 7.54 0.60 3.42 1.04 -0.83 -4.88 113.70 117.82 1xiq s SER 96 Ca 0.15 1.97 -0.18 0.00 0.48 0.00 0.00 55.95 58.38 1xiq s SER 96 Cb 0.18 -2.61 -0.03 0.00 0.10 0.00 0.00 66.02 63.66 1xiq s SER 96 CO 0.67 0.05 1.18 0.20 0.98 0.00 0.00 173.24 176.32 1xiq s ASN 97 N -0.83 5.18 0.47 7.02 0.01 -1.26 -4.57 114.94 120.96 1xiq s ASN 97 Ca 0.43 2.31 -0.23 0.00 -0.71 0.00 0.00 52.86 54.67 1xiq s ASN 97 Cb -0.27 -2.59 -0.07 0.00 0.41 0.00 0.00 41.25 38.73 1xiq s ASN 97 CO 0.33 -1.59 1.17 0.42 -1.51 0.00 0.00 177.10 175.92 1xiq s THR 98 N -1.73 3.05 0.00 1.60 -4.23 -1.26 -2.99 115.64 110.08 1xiq s THR 98 Ca 0.75 0.79 0.00 0.00 -1.18 0.00 0.00 61.69 62.05 1xiq s THR 98 Cb -0.28 -3.40 0.00 0.00 1.34 0.00 0.00 72.50 70.16 1xiq s THR 98 CO 0.34 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 175.01 1xiq n GLY 99 N 0.45 2.01 3.88 3.99 0.00 -1.26 -5.02 105.19 109.23 1xiq n GLY 99 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.23 4.75 0.10 2.61 -4.23 -1.16 -4.91 115.64 110.57 1xiq s THR 100 Ca 0.00 0.75 -0.29 0.00 -1.18 0.00 0.00 61.69 60.96 1xiq s THR 100 Cb 0.00 -3.86 -0.11 0.00 1.34 0.00 0.00 72.50 69.87 1xiq s THR 100 CO 0.00 -1.07 1.62 0.40 -0.54 0.00 0.00 174.62 175.03 1xiq h ILE 101 N -0.16 0.31 -0.28 2.99 2.04 -1.30 0.15 117.51 121.25 1xiq h ILE 101 Ca -0.45 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.35 1xiq h ILE 101 Cb 1.19 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 1xiq h ILE 101 CO 0.62 0.00 -0.10 0.03 0.00 0.00 0.00 178.15 178.70 1xiq h ARG 102 N -0.62 0.46 0.00 2.37 3.08 -1.54 -0.67 114.38 117.46 1xiq h ARG 102 Ca 0.01 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1xiq h ARG 102 Cb 0.60 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1xiq h ARG 102 CO -0.13 0.57 -0.14 0.41 -1.07 0.00 0.00 179.97 179.61 1xiq n GLY 103 N -0.71 -1.53 0.09 0.04 0.00 -1.10 -1.65 105.19 100.33 1xiq n GLY 103 Ca 0.01 -0.12 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.84 0.09 0.00 1.61 9.92 0.02 -4.62 116.55 121.73 1xiq n ASP 104 Ca 0.06 0.04 0.00 0.00 -0.53 0.00 0.00 54.79 54.36 1xiq n ASP 104 Cb 0.38 0.99 0.00 0.00 -0.64 0.00 0.00 41.12 41.85 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 -2.73 0.00 -4.41 1.24 3.72 -0.30 -5.09 117.46 109.89 1xiq n PHE 105 Ca -0.29 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 56.86 1xiq n PHE 105 Cb 1.09 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 39.53 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 -0.25 1.50 -4.32 0.00 4.77 -1.26 -4.71 117.00 112.72 1xiq n LEU 107 Ca -0.09 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 -0.16 0.00 -2.33 0.00 0.00 43.42 41.51 1xiq n LEU 107 CO 0.35 0.25 -0.57 -0.70 -1.33 0.00 0.00 177.39 175.39 1xiq s GLU 108 N -1.76 2.01 0.50 3.23 2.12 -1.26 -4.40 118.70 119.14 1xiq s GLU 108 Ca 0.00 -0.99 0.32 0.00 0.36 0.00 0.00 54.97 54.67 1xiq s GLU 108 Cb 0.00 -2.02 1.40 0.00 0.26 0.00 0.00 34.13 33.77 1xiq s GLU 108 CO 0.00 0.55 1.96 -0.39 -0.54 0.00 0.00 175.26 176.84 1xiq h VAL 109 N 4.41 0.00 -0.03 3.70 -1.51 -1.97 -1.17 116.25 119.68 1xiq h VAL 109 Ca -0.44 -0.38 -0.11 0.00 -1.23 0.00 0.00 66.70 64.54 1xiq h VAL 109 Cb 1.13 1.31 -0.01 0.00 -2.13 0.00 0.00 31.29 31.58 1xiq h VAL 109 CO 0.46 0.00 -0.48 -1.28 -1.23 0.00 0.00 177.57 175.04 1xiq h SER 110 N 0.00 0.07 -2.58 4.19 0.87 -1.95 -3.36 113.55 110.80 1xiq h SER 110 Ca 0.00 -0.03 -0.60 0.00 -1.23 0.00 0.00 61.79 59.92 1xiq h SER 110 Cb 0.41 -0.02 -0.41 0.00 -0.44 0.00 0.00 62.40 61.94 1xiq h SER 110 CO 0.00 0.54 -0.71 0.29 -0.53 0.00 0.00 176.83 176.42 1xiq n LYS 111 N -3.97 1.60 -1.09 2.24 4.76 -0.45 -4.92 118.16 116.33 1xiq n LYS 111 Ca -0.02 -4.15 -0.10 0.00 -2.87 0.00 0.00 58.31 51.17 1xiq n LYS 111 Cb 0.51 -2.04 0.15 0.00 -1.84 0.00 0.00 35.03 31.81 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 1.74 3.37 0.00 4.39 2.04 -1.21 -4.36 115.26 121.23 1xiq n ASN 112 Ca 0.25 -3.80 0.00 0.00 -0.44 0.00 0.00 54.58 50.59 1xiq n ASN 112 Cb 0.41 -0.60 0.00 0.00 -2.53 0.00 0.00 39.78 37.06 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 -1.02 0.00 -3.99 3.53 0.24 -1.26 -4.77 118.33 111.05 1xiq n VAL 113 Ca 0.37 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.58 1xiq n VAL 113 Cb 0.96 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 33.22 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 0.18 -0.04 1.34 2.07 -1.26 0.14 121.20 123.63 1xiq s ILE 114 Ca 0.00 -0.95 0.02 0.00 -1.41 0.00 0.00 60.65 58.31 1xiq s ILE 114 Cb 0.00 -0.33 -0.03 0.00 0.13 0.00 0.00 42.46 42.23 1xiq s ILE 114 CO 0.00 -0.49 -0.07 -2.28 -1.91 0.00 0.00 174.94 170.19 1xiq s HIS 115 N -1.48 2.90 0.05 3.50 5.65 0.64 -4.87 115.29 121.67 1xiq s HIS 115 Ca -0.15 -0.02 0.05 0.00 0.25 0.00 0.00 55.06 55.19 1xiq s HIS 115 Cb -0.10 -1.66 -0.02 0.00 -1.18 0.00 0.00 32.58 29.62 1xiq s HIS 115 CO -0.01 0.34 -0.14 0.20 -0.65 0.00 0.00 174.74 174.48 1xiq s GLY 116 N -1.07 0.81 0.36 1.59 0.00 -1.26 -1.81 107.32 105.94 1xiq s GLY 116 Ca 0.14 -0.87 -0.28 0.00 0.00 0.00 0.00 44.72 43.71 1xiq s GLY 116 CO 0.04 -0.86 1.35 -0.56 0.00 0.00 0.00 173.10 173.07 1xiq s SER 117 N -1.29 6.53 0.06 1.64 0.01 -1.12 -4.95 113.70 114.58 1xiq s SER 117 Ca 0.01 2.77 0.15 0.00 1.31 0.00 0.00 55.95 60.18 1xiq s SER 117 Cb -0.08 -2.65 -0.15 0.00 0.21 0.00 0.00 66.02 63.35 1xiq s SER 117 CO 0.02 -0.71 0.86 -2.24 0.41 0.00 0.00 173.24 171.58 1xiq h ASP 118 N 3.09 0.00 -5.25 2.44 2.03 -1.92 -3.44 116.42 113.37 1xiq h ASP 118 Ca -0.50 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 55.69 1xiq h ASP 118 Cb 1.24 0.00 -0.14 0.00 -0.83 0.00 0.00 39.33 39.59 1xiq h ASP 118 CO 0.64 0.70 -0.53 -0.94 -1.03 0.00 0.00 179.24 178.08 1xiq s SER 119 N -5.96 0.28 0.25 4.15 1.04 -1.26 -4.94 113.70 107.26 1xiq s SER 119 Ca -0.03 -0.91 -0.03 0.00 0.48 0.00 0.00 55.95 55.46 1xiq s SER 119 Cb 0.08 0.29 0.39 0.00 0.10 0.00 0.00 66.02 66.89 1xiq s SER 119 CO 0.81 -0.70 1.85 0.58 0.98 0.00 0.00 173.24 176.76 1xiq h VAL 120 N 2.89 1.03 -0.61 5.02 2.07 -1.93 0.81 116.25 125.54 1xiq h VAL 120 Ca -0.34 -0.35 -0.10 0.00 0.82 0.00 0.00 66.70 66.73 1xiq h VAL 120 Cb 1.18 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1xiq h VAL 120 CO 0.59 0.19 -0.01 0.00 0.02 0.00 0.00 177.57 178.36 1xiq h ALA 121 N 1.44 0.83 -0.61 1.67 0.00 -1.97 -2.17 119.26 118.44 1xiq h ALA 121 Ca 0.41 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1xiq h ALA 121 Cb 0.23 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1xiq h ALA 121 CO -0.19 0.67 0.10 0.77 0.00 0.00 0.00 179.25 180.60 1xiq h SER 122 N 0.98 0.95 0.39 0.00 0.02 -1.84 -3.03 113.55 111.00 1xiq h SER 122 Ca 0.17 -0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 1xiq h SER 122 Cb 0.57 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1xiq h SER 122 CO 0.03 0.94 -0.19 0.00 -1.14 0.00 0.00 176.83 176.48 1xiq h ALA 123 N 1.17 -0.52 -0.62 3.77 0.00 -0.55 -1.09 119.26 121.42 1xiq h ALA 123 Ca 0.19 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1xiq h ALA 123 Cb 0.40 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1xiq h ALA 123 CO 0.01 -0.74 0.41 -0.91 0.00 0.00 0.00 179.25 178.02 1xiq h ASN 124 N -0.62 0.62 -0.11 0.00 2.35 -1.42 0.11 115.58 116.51 1xiq h ASN 124 Ca -0.05 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.67 1xiq h ASN 124 Cb 0.46 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.68 1xiq h ASN 124 CO 0.09 0.42 -0.01 0.50 -1.65 0.00 0.00 177.43 176.78 1xiq h LYS 125 N 0.71 0.21 -0.58 0.81 3.64 -1.47 -2.91 116.57 116.98 1xiq h LYS 125 Ca 0.25 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1xiq h LYS 125 Cb 0.12 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 1xiq h LYS 125 CO -0.07 0.47 0.31 0.93 -2.27 0.00 0.00 179.45 178.82 1xiq h GLU 126 N -0.08 0.81 -0.51 1.90 5.08 0.15 -2.63 114.58 119.30 1xiq h GLU 126 Ca 0.03 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1xiq h GLU 126 Cb 0.38 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1xiq h GLU 126 CO 0.01 0.63 0.32 0.82 -1.00 0.00 0.00 179.01 179.79 1xiq h ILE 127 N 0.79 1.08 -0.39 3.13 2.04 -0.89 -2.28 117.51 120.99 1xiq h ILE 127 Ca 0.20 -0.22 -0.06 0.00 1.00 0.00 0.00 64.86 65.79 1xiq h ILE 127 Cb 0.05 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 1xiq h ILE 127 CO -0.03 0.12 0.00 0.78 0.00 0.00 0.00 178.15 179.02 1xiq h ASN 128 N 0.64 0.58 0.51 1.72 -0.26 -1.28 0.30 115.58 117.79 1xiq h ASN 128 Ca 0.20 -0.12 -0.23 0.00 -0.56 0.00 0.00 56.30 55.59 1xiq h ASN 128 Cb -0.02 -0.15 -0.00 0.00 -1.06 0.00 0.00 38.32 37.09 1xiq h ASN 128 CO -0.07 0.65 -1.02 -0.29 -1.06 0.00 0.00 177.43 175.63 1xiq h ILE 129 N 0.58 1.46 0.06 2.81 6.09 -1.25 -3.36 117.51 123.90 1xiq h ILE 129 Ca 0.12 -2.71 -0.30 0.00 -1.37 0.00 0.00 64.86 60.60 1xiq h ILE 129 Cb 0.37 2.60 -0.03 0.00 0.47 0.00 0.00 36.82 40.23 1xiq h ILE 129 CO 0.01 0.80 -1.64 -0.50 -3.07 0.00 0.00 178.15 173.75 1xiq h TRP 130 N 0.14 0.23 -3.47 2.19 4.06 -1.24 -3.48 115.95 114.38 1xiq h TRP 130 Ca -0.08 -0.17 -0.56 0.00 2.06 0.00 0.00 58.89 60.14 1xiq h TRP 130 Cb 1.68 -0.01 -0.19 0.00 -1.00 0.00 0.00 29.16 29.64 1xiq h TRP 130 CO 0.05 1.27 -0.80 -0.06 -3.56 0.00 0.00 178.44 175.33 1xiq s PHE 131 N -2.61 1.90 0.31 0.49 0.08 0.08 -5.10 117.98 113.14 1xiq s PHE 131 Ca -0.09 -0.44 -0.08 0.00 0.12 0.00 0.00 56.93 56.45 1xiq s PHE 131 Cb 0.08 -0.98 -0.06 0.00 -0.57 0.00 0.00 43.02 41.49 1xiq s PHE 131 CO 0.82 0.32 0.62 0.15 -0.10 0.00 0.00 175.22 177.03 1xiq s LYS 132 N -2.51 3.72 0.35 0.44 1.02 -1.26 -4.49 119.74 117.00 1xiq s LYS 132 Ca 0.14 0.21 0.03 0.00 0.02 0.00 0.00 55.97 56.37 1xiq s LYS 132 Cb -0.07 -2.57 0.66 0.00 -0.52 0.00 0.00 37.83 35.33 1xiq s LYS 132 CO 0.06 0.16 1.97 0.00 -0.92 0.00 0.00 175.35 176.62 1xiq h ALA 133 N 1.73 1.61 0.00 5.17 0.00 -1.95 -1.06 119.26 124.76 1xiq h ALA 133 Ca -0.47 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1xiq h ALA 133 Cb 1.18 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1xiq h ALA 133 CO 0.66 0.31 -0.02 1.05 0.00 0.00 0.00 179.25 181.25 1xiq h GLU 134 N 0.85 0.00 -0.04 0.00 4.11 -2.04 -2.75 114.58 114.71 1xiq h GLU 134 Ca 0.29 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.53 1xiq h GLU 134 Cb 0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1xiq h GLU 134 CO -0.09 0.02 -0.80 0.93 0.07 0.00 0.00 179.01 179.14 1xiq h GLU 135 N 0.00 0.33 -6.04 1.06 5.08 -1.58 -3.42 114.58 110.01 1xiq h GLU 135 Ca -0.00 -0.30 -0.57 0.00 -1.00 0.00 0.00 59.36 57.48 1xiq h GLU 135 Cb 0.04 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1xiq h GLU 135 CO 0.00 0.97 1.43 -0.51 -1.00 0.00 0.00 179.01 179.91 1xiq s LEU 136 N -7.76 3.45 -0.10 1.33 1.02 -1.04 -4.70 118.68 110.89 1xiq s LEU 136 Ca -0.05 1.57 -0.18 0.00 0.02 0.00 0.00 54.13 55.49 1xiq s LEU 136 Cb 0.10 -3.38 -0.04 0.00 0.02 0.00 0.00 46.19 42.89 1xiq s LEU 136 CO 0.84 -1.99 0.49 0.42 0.02 0.00 0.00 176.35 176.13 1xiq s THR 137 N 8.28 5.14 -0.20 5.49 -4.23 0.06 -5.03 115.64 125.16 1xiq s THR 137 Ca 0.93 0.99 -0.19 0.00 -1.18 0.00 0.00 61.69 62.23 1xiq s THR 137 Cb -0.27 -3.83 -0.03 0.00 1.34 0.00 0.00 72.50 69.71 1xiq s THR 137 CO 0.33 0.35 0.54 -1.58 -0.54 0.00 0.00 174.62 173.72 1xiq s GLN 138 N 0.41 4.20 0.01 3.99 2.00 -1.26 -4.79 119.66 124.22 1xiq s GLN 138 Ca 0.27 0.45 -0.14 0.00 -2.00 0.00 0.00 55.36 53.94 1xiq s GLN 138 Cb -0.16 -3.56 0.02 0.00 0.80 0.00 0.00 33.01 30.11 1xiq s GLN 138 CO 0.11 -0.15 0.29 1.67 -0.50 0.00 0.00 175.29 176.71 1xiq s TRP 139 N 1.65 -0.12 -0.30 1.67 1.48 -1.26 -5.13 118.94 116.92 1xiq s TRP 139 Ca 0.25 0.10 -0.24 0.00 -1.06 0.00 0.00 56.10 55.15 1xiq s TRP 139 Cb -0.15 0.07 0.00 0.00 -1.16 0.00 0.00 33.47 32.23 1xiq s TRP 139 CO 0.10 -0.42 0.82 0.21 -4.06 0.00 0.00 176.95 173.60 1xiq s LYS 140 N -1.81 3.99 -0.31 3.25 2.47 -1.26 -5.02 119.74 121.06 1xiq s LYS 140 Ca -0.10 0.67 -0.29 0.00 -1.56 0.00 0.00 55.97 54.69 1xiq s LYS 140 Cb -0.04 -3.72 0.01 0.00 -1.46 0.00 0.00 37.83 32.63 1xiq s LYS 140 CO 0.01 -0.69 1.13 -1.58 0.16 0.00 0.00 175.35 174.38 1xiq s HIS 141 N 3.02 3.05 0.29 4.03 5.65 -1.26 -4.91 115.29 125.16 1xiq s HIS 141 Ca 0.34 1.12 -0.02 0.00 0.25 0.00 0.00 55.06 56.75 1xiq s HIS 141 Cb -0.14 -3.74 0.41 0.00 -1.18 0.00 0.00 32.58 27.93 1xiq s HIS 141 CO 0.12 -0.99 1.93 1.25 -0.65 0.00 0.00 174.74 176.41 1xiq h HIS 142 N 8.33 1.03 -0.00 3.88 2.76 -2.05 -2.75 115.15 126.34 1xiq h HIS 142 Ca -0.22 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.95 1xiq h HIS 142 Cb 1.07 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 29.69 1xiq h HIS 142 CO 0.84 0.69 -0.03 -1.33 -1.30 0.00 0.00 177.93 176.80 1xiq n MET 143 N -4.38 0.20 0.27 5.26 2.81 -1.26 -3.93 117.12 116.09 1xiq n MET 143 Ca 0.08 -0.01 0.12 0.00 -1.81 0.00 0.00 57.70 56.08 1xiq n MET 143 Cb 0.07 -1.50 0.77 0.00 -0.71 0.00 0.00 33.22 31.85 1xiq n MET 143 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1xiq h LYS 144 N 0.03 0.00 -0.95 0.03 1.63 -1.88 -0.38 116.57 115.05 1xiq h LYS 144 Ca 0.00 0.00 0.18 0.00 -0.85 0.00 0.00 60.65 59.98 1xiq h LYS 144 Cb 0.41 0.00 -0.10 0.00 -0.60 0.00 0.00 32.23 31.94 1xiq h LYS 144 CO 0.00 0.06 0.54 0.93 -3.45 0.00 0.00 179.45 177.53 1xiq h GLU 145 N 0.00 0.67 -0.44 1.90 5.08 -1.80 -0.39 114.58 119.60 1xiq h GLU 145 Ca -0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1xiq h GLU 145 Cb 0.13 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1xiq h GLU 145 CO 0.01 0.44 0.00 0.91 -1.00 0.00 0.00 179.01 179.37 1xiq n TRP 146 N -4.82 0.58 -0.02 4.33 7.02 -0.17 -4.10 117.44 120.25 1xiq n TRP 146 Ca 0.21 -0.30 -0.02 0.00 -1.02 0.00 0.00 57.50 56.37 1xiq n TRP 146 Cb 0.54 -0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.39 1xiq n TRP 146 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 1xiq n ILE 147 N 1.47 0.30 -4.54 -0.99 -6.64 -1.06 -5.09 119.36 102.81 1xiq n ILE 147 Ca 0.20 -0.19 -0.31 0.00 -1.77 0.00 0.00 62.75 60.67 1xiq n ILE 147 Cb 0.60 -0.85 -0.05 0.00 -1.44 0.00 0.00 39.64 37.89 1xiq n ILE 147 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78