#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qtx n ASP 2 N 0.00 -0.17 -4.72 0.00 9.92 -1.26 -4.93 116.55 115.39 1qtx n ASP 2 Ca 0.00 0.95 -0.42 0.00 -0.53 0.00 0.00 54.79 54.80 1qtx n ASP 2 Cb 0.00 -1.19 -0.04 0.00 -0.64 0.00 0.00 41.12 39.25 1qtx n ASP 2 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1qtx s GLN 3 N -1.73 4.62 0.06 -1.24 0.74 -1.26 -4.91 119.66 115.93 1qtx s GLN 3 Ca 0.64 1.48 0.10 0.00 0.05 0.00 0.00 55.36 57.62 1qtx s GLN 3 Cb -0.59 -3.40 -0.03 0.00 1.10 0.00 0.00 33.01 30.08 1qtx s GLN 3 CO 0.57 0.06 -0.27 -0.51 -0.55 0.00 0.00 175.29 174.60 1qtx s LEU 4 N 0.46 2.20 0.64 3.68 1.43 -1.26 -5.11 118.68 120.72 1qtx s LEU 4 Ca 0.50 -0.62 -0.10 0.00 -1.03 0.00 0.00 54.13 52.87 1qtx s LEU 4 Cb -0.23 -1.27 -0.01 0.00 0.03 0.00 0.00 46.19 44.70 1qtx s LEU 4 CO 0.29 0.24 1.03 0.42 0.23 0.00 0.00 176.35 178.56 1qtx s THR 5 N -0.86 4.12 0.39 5.49 -4.23 -1.26 -4.90 115.64 114.39 1qtx s THR 5 Ca 0.12 0.58 0.07 0.00 -1.18 0.00 0.00 61.69 61.28 1qtx s THR 5 Cb -0.10 -3.67 0.23 0.00 1.34 0.00 0.00 72.50 70.30 1qtx s THR 5 CO 0.03 -0.85 2.00 0.44 -0.54 0.00 0.00 174.62 175.70 1qtx h ASP 6 N -0.41 0.45 -0.30 3.99 3.32 -2.01 -1.69 116.42 119.79 1qtx h ASP 6 Ca -0.45 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 56.54 1qtx h ASP 6 Cb 1.22 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 1qtx h ASP 6 CO 0.63 0.40 0.08 -0.08 -1.72 0.00 0.00 179.24 178.55 1qtx h GLU 7 N 0.51 0.47 -0.73 3.56 4.57 -1.97 -1.14 114.58 119.84 1qtx h GLU 7 Ca 0.13 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1qtx h GLU 7 Cb 0.07 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.56 1qtx h GLU 7 CO -0.02 0.53 0.45 1.96 -1.18 0.00 0.00 179.01 180.76 1qtx h GLN 8 N 0.31 0.99 -0.67 1.92 4.20 -1.80 -1.22 115.11 118.85 1qtx h GLN 8 Ca 0.09 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1qtx h GLN 8 Cb 0.27 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 1qtx h GLN 8 CO -0.00 0.69 0.39 0.82 -0.67 0.00 0.00 178.83 180.06 1qtx h ILE 9 N 1.00 1.20 -0.59 2.54 2.04 -1.08 -0.31 117.51 122.31 1qtx h ILE 9 Ca 0.26 -0.48 -0.06 0.00 1.00 0.00 0.00 64.86 65.58 1qtx h ILE 9 Cb -0.05 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.30 1qtx h ILE 9 CO -0.05 0.22 0.12 0.00 0.00 0.00 0.00 178.15 178.44 1qtx h ALA 10 N 1.19 1.10 -0.48 1.87 0.00 -0.83 -0.68 119.26 121.43 1qtx h ALA 10 Ca 0.24 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1qtx h ALA 10 Cb 0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1qtx h ALA 10 CO -0.04 0.60 0.11 0.93 0.00 0.00 0.00 179.25 180.84 1qtx h GLU 11 N 0.89 0.77 0.00 0.00 5.08 -0.68 -2.31 114.58 118.33 1qtx h GLU 11 Ca 0.19 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1qtx h GLU 11 Cb 0.35 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1qtx h GLU 11 CO 0.00 0.76 -0.23 0.74 -1.00 0.00 0.00 179.01 179.29 1qtx h PHE 12 N 0.65 0.00 -0.46 4.33 0.04 -0.63 -1.87 116.94 119.00 1qtx h PHE 12 Ca 0.15 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.80 1qtx h PHE 12 Cb 0.34 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.48 1qtx h PHE 12 CO 0.02 0.23 -0.17 -0.22 -0.60 0.00 0.00 178.31 177.57 1qtx h LYS 13 N 0.00 0.94 -0.37 1.51 1.63 -0.67 -0.08 116.57 119.52 1qtx h LYS 13 Ca -0.00 -0.39 -0.05 0.00 -0.85 0.00 0.00 60.65 59.36 1qtx h LYS 13 Cb 0.59 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.17 1qtx h LYS 13 CO 0.03 1.05 0.05 0.93 -3.45 0.00 0.00 179.45 178.06 1qtx h GLU 14 N 0.78 0.62 -0.86 1.90 5.08 -0.89 -2.67 114.58 118.54 1qtx h GLU 14 Ca 0.11 -0.17 0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1qtx h GLU 14 Cb 0.74 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.87 1qtx h GLU 14 CO 0.06 0.69 0.55 0.00 -1.00 0.00 0.00 179.01 179.31 1qtx h ALA 15 N 0.91 1.14 -0.80 3.43 0.00 -1.12 -2.06 119.26 120.75 1qtx h ALA 15 Ca 0.11 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.09 1qtx h ALA 15 Cb 0.37 -0.28 -0.07 0.00 0.00 0.00 0.00 17.79 17.81 1qtx h ALA 15 CO 0.01 0.37 0.44 0.35 0.00 0.00 0.00 179.25 180.42 1qtx h PHE 16 N 1.05 0.80 -0.04 0.00 3.57 -0.75 -1.59 116.94 119.99 1qtx h PHE 16 Ca 0.35 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.89 1qtx h PHE 16 Cb 0.04 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.54 1qtx h PHE 16 CO -0.02 0.30 0.04 0.77 -2.23 0.00 0.00 178.31 177.17 1qtx h SER 17 N 0.73 0.00 0.75 0.41 0.02 -1.04 0.34 113.55 114.76 1qtx h SER 17 Ca 0.39 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.29 1qtx h SER 17 Cb 0.40 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1qtx h SER 17 CO -0.26 0.00 -0.25 -0.07 -1.14 0.00 0.00 176.83 175.10 1qtx h LEU 18 N 0.00 0.00 0.03 5.07 3.38 -1.31 -3.15 115.31 119.33 1qtx h LEU 18 Ca 0.02 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.75 1qtx h LEU 18 Cb 0.10 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1qtx h LEU 18 CO -0.00 0.25 -1.27 -0.26 0.09 0.00 0.00 178.44 177.25 1qtx h PHE 19 N 0.00 0.11 -0.44 1.13 0.04 -1.09 -3.40 116.94 113.30 1qtx h PHE 19 Ca -0.00 -0.08 -0.72 0.00 2.80 0.00 0.00 57.97 59.96 1qtx h PHE 19 Cb 0.70 -0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.77 1qtx h PHE 19 CO 0.00 1.50 2.85 -3.47 -0.60 0.00 0.00 178.31 178.59 1qtx n ASP 20 N -4.27 4.71 0.25 2.17 2.03 -0.21 -4.74 116.55 116.49 1qtx n ASP 20 Ca -0.29 -2.91 0.11 0.00 0.52 0.00 0.00 54.79 52.21 1qtx n ASP 20 Cb 0.74 -1.59 0.66 0.00 -0.72 0.00 0.00 41.12 40.21 1qtx n ASP 20 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1qtx h LYS 21 N 5.80 0.00 -0.01 -0.67 1.57 -1.77 -1.59 116.57 119.90 1qtx h LYS 21 Ca 0.55 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.33 1qtx h LYS 21 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1qtx h LYS 21 CO 1.79 0.14 -0.06 -0.40 -0.57 0.00 0.00 179.45 180.36 1qtx n ASP 22 N -3.82 1.36 -2.67 0.86 5.68 -1.26 -4.95 116.55 111.75 1qtx n ASP 22 Ca -0.02 -1.34 -0.21 0.00 -0.50 0.00 0.00 54.79 52.72 1qtx n ASP 22 Cb 0.25 0.03 0.01 0.00 -1.14 0.00 0.00 41.12 40.27 1qtx n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qtx n GLY 23 N 1.21 -0.51 0.46 6.12 0.00 -0.60 -4.89 105.19 106.99 1qtx n GLY 23 Ca 0.17 0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.38 1qtx n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qtx n ASP 24 N -2.24 1.42 0.00 1.61 5.75 -1.26 -4.92 116.55 116.92 1qtx n ASP 24 Ca -0.19 -1.55 0.00 0.00 -0.01 0.00 0.00 54.79 53.04 1qtx n ASP 24 Cb 0.66 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.71 1qtx n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qtx n GLY 25 N 1.13 0.75 3.09 6.12 0.00 -1.26 -5.05 105.19 109.97 1qtx n GLY 25 Ca 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 1qtx n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qtx s THR 26 N -2.48 0.17 -0.25 2.61 -4.23 -1.26 -3.99 115.64 106.21 1qtx s THR 26 Ca 0.00 -1.39 -0.04 0.00 -1.18 0.00 0.00 61.69 59.07 1qtx s THR 26 Cb 0.00 -1.12 0.00 0.00 1.34 0.00 0.00 72.50 72.73 1qtx s THR 26 CO 0.00 -0.77 -0.01 -0.63 -0.54 0.00 0.00 174.62 172.67 1qtx s ILE 27 N -3.14 3.47 0.57 2.99 1.01 0.88 -4.63 121.20 122.35 1qtx s ILE 27 Ca -0.00 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.02 1qtx s ILE 27 Cb 0.02 -2.67 0.04 0.00 0.01 0.00 0.00 42.46 39.86 1qtx s ILE 27 CO -0.07 0.29 0.80 0.42 0.00 0.00 0.00 174.94 176.38 1qtx s THR 28 N 1.46 2.61 0.34 2.92 -4.23 -1.26 -1.64 115.64 115.84 1qtx s THR 28 Ca 0.04 -0.63 0.03 0.00 -1.18 0.00 0.00 61.69 59.95 1qtx s THR 28 Cb -0.15 -2.98 0.20 0.00 1.34 0.00 0.00 72.50 70.91 1qtx s THR 28 CO -0.02 0.00 1.93 0.71 -0.54 0.00 0.00 174.62 176.70 1qtx h THR 29 N -0.01 1.18 -0.49 3.99 1.35 -1.92 -1.43 112.91 115.57 1qtx h THR 29 Ca -0.42 -0.57 -0.02 0.00 -0.55 0.00 0.00 66.41 64.85 1qtx h THR 29 Cb 1.30 0.62 -0.02 0.00 -1.73 0.00 0.00 68.15 68.31 1qtx h THR 29 CO 0.52 0.22 0.22 0.50 -0.25 0.00 0.00 175.52 176.74 1qtx h LYS 30 N 0.68 0.71 -0.47 4.72 3.64 -1.98 0.84 116.57 124.72 1qtx h LYS 30 Ca 0.16 -0.11 -0.13 0.00 -1.27 0.00 0.00 60.65 59.30 1qtx h LYS 30 Cb 0.15 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1qtx h LYS 30 CO -0.02 0.61 -0.22 0.93 -2.27 0.00 0.00 179.45 178.48 1qtx h GLU 31 N 0.65 0.96 -0.50 1.90 5.08 -1.75 -0.08 114.58 120.84 1qtx h GLU 31 Ca 0.17 -0.41 -0.12 0.00 -1.00 0.00 0.00 59.36 57.99 1qtx h GLU 31 Cb 0.14 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1qtx h GLU 31 CO -0.02 1.08 -0.15 1.25 -1.00 0.00 0.00 179.01 180.17 1qtx h LEU 32 N 0.83 1.00 -0.68 1.33 5.85 -1.13 -2.58 115.31 119.93 1qtx h LEU 32 Ca 0.11 -0.37 -0.05 0.00 0.84 0.00 0.00 57.88 58.41 1qtx h LEU 32 Cb 0.80 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 1qtx h LEU 32 CO 0.07 1.14 0.24 1.23 -0.34 0.00 0.00 178.44 180.78 1qtx h GLY 33 N 0.84 1.11 0.99 3.75 0.00 -0.64 -2.07 103.07 107.05 1qtx h GLY 33 Ca 0.12 -0.63 0.01 0.00 0.00 0.00 0.00 47.33 46.83 1qtx h GLY 33 CO 0.06 0.59 0.23 -0.84 0.00 0.00 0.00 176.54 176.58 1qtx h THR 34 N 0.97 1.08 -0.02 4.70 2.02 -0.85 -0.33 112.91 120.48 1qtx h THR 34 Ca 0.22 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 67.24 1qtx h THR 34 Cb 0.26 0.56 -0.00 0.00 -1.74 0.00 0.00 68.15 67.23 1qtx h THR 34 CO -0.01 0.09 0.01 0.58 0.37 0.00 0.00 175.52 176.55 1qtx h VAL 35 N 0.48 1.19 -0.92 3.16 2.07 -1.32 -1.69 116.25 119.23 1qtx h VAL 35 Ca 0.13 -0.58 0.05 0.00 0.82 0.00 0.00 66.70 67.13 1qtx h VAL 35 Cb -0.04 1.54 -0.06 0.00 -1.52 0.00 0.00 31.29 31.20 1qtx h VAL 35 CO -0.04 0.15 0.59 0.24 0.02 0.00 0.00 177.57 178.54 1qtx h MET 36 N -0.19 1.08 -0.32 1.57 2.86 -1.23 -1.50 114.93 117.20 1qtx h MET 36 Ca 0.01 -0.06 -0.11 0.00 -2.06 0.00 0.00 59.70 57.48 1qtx h MET 36 Cb 0.24 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1qtx h MET 36 CO 0.00 0.71 -0.25 0.00 1.06 0.00 0.00 176.91 178.43 1qtx h ARG 37 N 1.11 0.62 0.00 1.72 3.08 -0.98 0.26 114.38 120.20 1qtx h ARG 37 Ca 0.38 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 60.15 1qtx h ARG 37 Cb 0.08 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 1qtx h ARG 37 CO -0.14 0.82 -0.15 0.77 -1.07 0.00 0.00 179.97 180.19 1qtx h SER 38 N 0.55 0.00 -0.14 7.04 0.02 -0.34 -0.88 113.55 119.80 1qtx h SER 38 Ca 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1qtx h SER 38 Cb 0.72 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1qtx h SER 38 CO 0.06 0.15 0.00 0.18 -1.14 0.00 0.00 176.83 176.08 1qtx n LEU 39 N -3.72 1.62 0.00 5.07 4.77 -0.71 -4.80 117.00 119.24 1qtx n LEU 39 Ca -0.02 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 1qtx n LEU 39 Cb 0.26 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1qtx n LEU 39 CO 0.31 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 1qtx n GLY 40 N 1.14 0.50 3.95 -0.72 0.00 -0.33 -5.07 105.19 104.64 1qtx n GLY 40 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 1qtx n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qtx s GLN 41 N -0.92 1.98 -0.40 1.61 -0.21 0.03 -4.97 119.66 116.78 1qtx s GLN 41 Ca 0.00 -0.53 0.10 0.00 0.02 0.00 0.00 55.36 54.95 1qtx s GLN 41 Cb 0.00 -2.22 0.32 0.00 1.00 0.00 0.00 33.01 32.11 1qtx s GLN 41 CO 0.00 -1.32 0.77 -1.71 -2.12 0.00 0.00 175.29 170.91 1qtx n ASN 42 N -2.90 -0.18 -4.77 5.90 5.15 -1.26 -3.93 115.26 113.27 1qtx n ASN 42 Ca 0.10 -3.10 -0.37 0.00 -0.60 0.00 0.00 54.58 50.62 1qtx n ASN 42 Cb 0.60 0.04 -0.01 0.00 -0.53 0.00 0.00 39.78 39.88 1qtx n ASN 42 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1qtx s PRO 43 N -1.44 3.72 0.59 1.20 0.04 -1.26 -5.03 135.00 132.83 1qtx s PRO 43 Ca 0.35 1.73 -0.04 0.00 0.04 0.00 0.00 61.00 63.07 1qtx s PRO 43 Cb 0.29 -2.35 0.02 0.00 0.04 0.00 0.00 34.50 32.51 1qtx s PRO 43 CO -0.09 -0.57 0.88 0.95 0.04 0.00 0.00 177.00 178.20 1qtx s THR 44 N -1.60 3.25 0.28 1.26 -4.23 -1.26 -4.88 115.64 108.46 1qtx s THR 44 Ca 0.65 -0.22 -0.03 0.00 -1.18 0.00 0.00 61.69 60.90 1qtx s THR 44 Cb -0.27 -3.29 0.24 0.00 1.34 0.00 0.00 72.50 70.52 1qtx s THR 44 CO 0.33 -0.28 1.93 -0.33 -0.54 0.00 0.00 174.62 175.73 1qtx h GLU 45 N -0.16 1.12 -0.56 3.99 4.39 -1.99 -0.39 114.58 120.98 1qtx h GLU 45 Ca -0.45 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.14 1qtx h GLU 45 Cb 1.27 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 29.66 1qtx h GLU 45 CO 0.59 0.78 0.27 0.00 -1.16 0.00 0.00 179.01 179.49 1qtx h ALA 46 N 1.42 0.72 -0.66 3.43 0.00 -1.99 -0.87 119.26 121.31 1qtx h ALA 46 Ca 0.30 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1qtx h ALA 46 Cb -0.06 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1qtx h ALA 46 CO -0.06 0.29 0.12 0.93 0.00 0.00 0.00 179.25 180.53 1qtx h GLU 47 N 0.76 1.08 -0.61 0.00 5.08 -1.75 -1.25 114.58 117.89 1qtx h GLU 47 Ca 0.19 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1qtx h GLU 47 Cb 0.12 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1qtx h GLU 47 CO -0.02 0.99 0.31 -0.07 -1.00 0.00 0.00 179.01 179.21 1qtx h LEU 48 N 1.00 0.79 -0.83 1.33 3.38 -0.75 0.11 115.31 120.35 1qtx h LEU 48 Ca 0.20 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1qtx h LEU 48 Cb 0.42 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1qtx h LEU 48 CO 0.01 0.68 0.49 1.56 0.09 0.00 0.00 178.44 181.27 1qtx h GLN 49 N 0.83 1.13 -0.49 1.13 4.20 -0.91 -1.10 115.11 119.91 1qtx h GLN 49 Ca 0.21 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.76 1qtx h GLN 49 Cb 0.09 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 1qtx h GLN 49 CO -0.03 0.80 0.10 -0.44 -0.67 0.00 0.00 178.83 178.60 1qtx h ASP 50 N 1.14 0.76 -0.43 1.46 3.32 -0.74 0.51 116.42 122.44 1qtx h ASP 50 Ca 0.30 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1qtx h ASP 50 Cb -0.03 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1qtx h ASP 50 CO -0.05 0.80 0.28 0.24 -1.72 0.00 0.00 179.24 178.79 1qtx h MET 51 N 0.67 0.56 0.09 3.56 2.86 -0.57 -1.88 114.93 120.23 1qtx h MET 51 Ca 0.15 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1qtx h MET 51 Cb 0.35 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1qtx h MET 51 CO 0.00 0.37 -0.04 0.82 1.06 0.00 0.00 176.91 179.12 1qtx h ILE 52 N 0.58 0.92 -0.81 -1.22 1.08 -1.02 -2.98 117.51 114.06 1qtx h ILE 52 Ca 0.16 -0.05 0.19 0.00 -0.39 0.00 0.00 64.86 64.77 1qtx h ILE 52 Cb -0.07 0.96 -0.12 0.00 -3.07 0.00 0.00 36.82 34.52 1qtx h ILE 52 CO -0.03 0.01 0.23 -1.13 -0.69 0.00 0.00 178.15 176.53 1qtx h ASN 53 N -0.14 0.05 -0.85 1.72 -1.24 -0.54 0.80 115.58 115.38 1qtx h ASN 53 Ca -0.01 0.17 0.17 0.00 0.71 0.00 0.00 56.30 57.34 1qtx h ASN 53 Cb 0.11 0.22 -0.10 0.00 0.73 0.00 0.00 38.32 39.27 1qtx h ASN 53 CO 0.02 -0.07 0.40 -0.33 -1.29 0.00 0.00 177.43 176.16 1qtx h GLU 54 N 0.27 0.50 -0.01 6.67 5.08 -1.18 -2.82 114.58 123.09 1qtx h GLU 54 Ca 0.48 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 1qtx h GLU 54 Cb 0.90 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1qtx h GLU 54 CO -0.57 0.33 -0.34 1.33 -1.00 0.00 0.00 179.01 178.76 1qtx n VAL 55 N -4.95 0.00 -1.83 3.13 0.24 -0.85 -4.80 118.33 109.27 1qtx n VAL 55 Ca 0.18 -0.33 -0.41 0.00 -2.04 0.00 0.00 64.34 61.74 1qtx n VAL 55 Cb 0.51 1.15 -0.02 0.00 -1.47 0.00 0.00 33.84 34.01 1qtx n VAL 55 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1qtx n ASP 56 N -0.30 3.75 -0.25 -1.34 2.03 0.22 -4.77 116.55 115.88 1qtx n ASP 56 Ca 0.05 -2.81 0.04 0.00 0.52 0.00 0.00 54.79 52.60 1qtx n ASP 56 Cb 0.29 -1.57 0.17 0.00 -0.72 0.00 0.00 41.12 39.29 1qtx n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1qtx h ALA 57 N 7.09 1.04 -0.00 -1.67 0.00 -1.87 -1.06 119.26 122.79 1qtx h ALA 57 Ca 0.48 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.49 1qtx h ALA 57 Cb 0.72 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1qtx h ALA 57 CO 1.75 -0.17 -0.12 -0.40 0.00 0.00 0.00 179.25 180.31 1qtx n ASP 58 N -4.97 0.57 -2.55 0.00 5.68 -1.26 -4.95 116.55 109.07 1qtx n ASP 58 Ca 0.13 -0.67 -0.21 0.00 -0.50 0.00 0.00 54.79 53.55 1qtx n ASP 58 Cb 0.38 -0.04 0.01 0.00 -1.14 0.00 0.00 41.12 40.33 1qtx n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qtx n GLY 59 N 1.27 -0.46 0.76 6.12 0.00 -0.40 -4.89 105.19 107.59 1qtx n GLY 59 Ca 0.15 0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.24 1qtx n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1qtx n ASN 60 N -2.05 2.20 0.00 1.61 6.94 -1.26 -4.92 115.26 117.78 1qtx n ASN 60 Ca -0.18 -2.04 0.00 0.00 -0.02 0.00 0.00 54.58 52.34 1qtx n ASN 60 Cb 0.65 -0.29 0.00 0.00 -2.36 0.00 0.00 39.78 37.78 1qtx n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1qtx n GLY 61 N 1.04 2.24 3.31 4.83 0.00 -1.26 -5.02 105.19 110.32 1qtx n GLY 61 Ca 0.13 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.99 1qtx n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qtx s THR 62 N -2.34 0.94 -0.27 2.61 -4.23 -1.26 -4.70 115.64 106.39 1qtx s THR 62 Ca 0.00 -2.02 -0.10 0.00 -1.18 0.00 0.00 61.69 58.39 1qtx s THR 62 Cb 0.00 -2.30 -0.04 0.00 1.34 0.00 0.00 72.50 71.51 1qtx s THR 62 CO 0.00 -0.35 0.15 -0.63 -0.54 0.00 0.00 174.62 173.25 1qtx s ILE 63 N -3.48 4.89 0.66 2.99 1.01 -0.65 -4.81 121.20 121.81 1qtx s ILE 63 Ca 0.28 -0.02 0.05 0.00 0.00 0.00 0.00 60.65 60.95 1qtx s ILE 63 Cb 0.06 -3.34 0.12 0.00 0.01 0.00 0.00 42.46 39.30 1qtx s ILE 63 CO 0.08 0.25 0.91 1.51 0.00 0.00 0.00 174.94 177.69 1qtx s ASP 64 N 1.69 4.66 0.13 3.58 1.47 -1.26 -0.09 116.67 126.86 1qtx s ASP 64 Ca 0.07 -0.70 -0.17 0.00 1.18 0.00 0.00 52.55 52.92 1qtx s ASP 64 Cb -0.16 0.30 -0.02 0.00 -0.34 0.00 0.00 42.92 42.70 1qtx s ASP 64 CO 0.08 -1.66 1.73 0.15 0.68 0.00 0.00 175.17 176.15 1qtx h PHE 65 N -0.20 0.47 -0.97 2.11 3.57 -1.99 -1.31 116.94 118.61 1qtx h PHE 65 Ca -0.31 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.29 1qtx h PHE 65 Cb 1.28 -0.15 -0.08 0.00 2.79 0.00 0.00 35.95 39.79 1qtx h PHE 65 CO 0.11 0.38 0.62 -1.35 -2.23 0.00 0.00 178.31 175.83 1qtx h PRO 66 N 0.42 0.91 -0.19 6.41 0.11 -1.95 0.44 132.00 138.16 1qtx h PRO 66 Ca 0.12 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 66.05 1qtx h PRO 66 Cb 0.07 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 30.96 1qtx h PRO 66 CO -0.02 0.60 -0.42 0.93 -0.21 0.00 0.00 178.00 178.89 1qtx h GLU 67 N 0.94 0.44 -0.39 1.05 5.08 -1.78 -2.62 114.58 117.31 1qtx h GLU 67 Ca 0.48 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 1qtx h GLU 67 Cb 0.50 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1qtx h GLU 67 CO -0.24 0.79 0.17 0.35 -1.00 0.00 0.00 179.01 179.07 1qtx h PHE 68 N 0.37 0.58 -0.88 4.33 3.57 0.03 -2.24 116.94 122.70 1qtx h PHE 68 Ca 0.03 -0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.55 1qtx h PHE 68 Cb 0.89 -0.18 -0.06 0.00 2.79 0.00 0.00 35.95 39.39 1qtx h PHE 68 CO 0.03 0.51 0.55 -0.07 -2.23 0.00 0.00 178.31 177.10 1qtx h LEU 69 N 0.49 0.87 -0.95 0.59 3.38 -0.79 -0.95 115.31 117.95 1qtx h LEU 69 Ca 0.13 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1qtx h LEU 69 Cb 0.16 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1qtx h LEU 69 CO -0.01 0.55 0.61 -1.13 0.09 0.00 0.00 178.44 178.55 1qtx h ASN 70 N 1.00 1.10 -0.40 -0.43 -0.73 -1.07 -0.13 115.58 114.93 1qtx h ASN 70 Ca 0.38 -0.04 0.02 0.00 1.87 0.00 0.00 56.30 58.53 1qtx h ASN 70 Cb 0.17 -0.28 -0.03 0.00 0.27 0.00 0.00 38.32 38.46 1qtx h ASN 70 CO -0.17 0.82 0.24 0.25 -0.37 0.00 0.00 177.43 178.19 1qtx h LEU 71 N 1.29 0.38 -0.02 0.34 5.85 -0.65 -1.82 115.31 120.69 1qtx h LEU 71 Ca 0.34 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.07 1qtx h LEU 71 Cb -0.12 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 40.83 1qtx h LEU 71 CO -0.07 0.28 0.00 0.23 -0.34 0.00 0.00 178.44 178.53 1qtx n MET 72 N -4.86 0.01 -0.00 1.25 2.81 -0.56 -3.06 117.12 112.71 1qtx n MET 72 Ca 0.01 0.11 0.10 0.00 -1.81 0.00 0.00 57.70 56.11 1qtx n MET 72 Cb 0.06 -1.52 -0.12 0.00 -0.71 0.00 0.00 33.22 30.93 1qtx n MET 72 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1qtx n ALA 73 N -1.52 4.39 -1.89 3.04 0.00 -0.12 -4.95 120.51 119.46 1qtx n ALA 73 Ca 0.06 -0.56 -0.41 0.00 0.00 0.00 0.00 53.44 52.52 1qtx n ALA 73 Cb 0.28 -0.74 -0.03 0.00 0.00 0.00 0.00 19.45 18.97 1qtx n ALA 73 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1qtx s ARG 74 N -3.00 4.42 0.50 0.00 0.52 -0.74 -4.29 118.95 116.35 1qtx s ARG 74 Ca 0.05 2.07 -0.20 0.00 -0.52 0.00 0.00 55.73 57.14 1qtx s ARG 74 Cb 0.15 -3.15 -0.08 0.00 0.52 0.00 0.00 34.95 32.39 1qtx s ARG 74 CO 0.84 -0.16 1.04 -1.59 0.02 0.00 0.00 175.30 175.44 1qtx s LYS 75 N -0.86 3.77 0.36 3.54 0.00 -1.26 -5.00 119.74 120.29 1qtx s LYS 75 Ca 0.52 1.32 -0.27 0.00 0.00 0.00 0.00 55.97 57.54 1qtx s LYS 75 Cb -0.37 -2.09 -0.09 0.00 0.00 0.00 0.00 37.83 35.27 1qtx s LYS 75 CO 0.43 -0.45 1.26 -1.64 0.00 0.00 0.00 175.35 174.95 1qtx s MET 76 N -3.34 4.23 -0.01 1.78 -1.94 -1.26 -4.94 119.30 113.82 1qtx s MET 76 Ca 0.66 2.08 0.19 0.00 -1.71 0.00 0.00 55.69 56.91 1qtx s MET 76 Cb -0.16 -2.93 -0.23 0.00 2.01 0.00 0.00 34.83 33.52 1qtx s MET 76 CO 0.22 -0.24 0.68 0.36 -0.01 0.00 0.00 175.02 176.02 1qtx n LYS 77 N 0.53 0.77 -2.54 2.03 0.00 -1.26 -4.91 118.16 112.79 1qtx n LYS 77 Ca 0.02 -0.05 -0.42 0.00 -0.00 0.00 0.00 58.31 57.85 1qtx n LYS 77 Cb 0.43 -1.40 -0.03 0.00 -0.00 0.00 0.00 35.03 34.04 1qtx n LYS 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1qtx s ASP 78 N -3.20 7.10 0.31 -5.58 1.11 -1.26 -4.93 116.67 110.22 1qtx s ASP 78 Ca 0.03 1.69 0.07 0.00 0.18 0.00 0.00 52.55 54.52 1qtx s ASP 78 Cb 0.13 -2.55 0.88 0.00 1.07 0.00 0.00 42.92 42.45 1qtx s ASP 78 CO 0.77 -0.57 1.63 0.74 1.18 0.00 0.00 175.17 178.93 1qtx h THR 79 N 5.11 0.22 -3.00 -1.27 2.02 -2.05 -3.26 112.91 110.69 1qtx h THR 79 Ca -0.31 -0.06 -0.71 0.00 0.77 0.00 0.00 66.41 66.10 1qtx h THR 79 Cb 1.14 0.03 -0.20 0.00 -1.74 0.00 0.00 68.15 67.39 1qtx h THR 79 CO 0.89 0.03 0.05 -0.62 0.37 0.00 0.00 175.52 176.24 1qtx s ASP 80 N -4.96 6.19 0.14 4.18 2.15 -1.26 -4.92 116.67 118.18 1qtx s ASP 80 Ca -0.11 -1.37 0.14 0.00 0.43 0.00 0.00 52.55 51.63 1qtx s ASP 80 Cb 0.28 -2.28 0.66 0.00 -0.30 0.00 0.00 42.92 41.28 1qtx s ASP 80 CO 0.78 -1.03 1.43 -1.54 -0.17 0.00 0.00 175.17 174.64 1qtx n SER 81 N 6.14 0.29 0.00 -0.34 3.41 -1.23 -3.01 113.62 118.89 1qtx n SER 81 Ca -0.10 0.61 0.11 0.00 -0.26 0.00 0.00 58.87 59.23 1qtx n SER 81 Cb 0.43 -0.66 0.09 0.00 -0.26 0.00 0.00 64.21 63.81 1qtx n SER 81 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1qtx n GLU 82 N -1.86 0.03 -0.12 4.33 1.02 -1.26 -4.27 120.64 118.51 1qtx n GLU 82 Ca 0.01 -0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.23 1qtx n GLU 82 Cb 0.09 -1.51 0.42 0.00 -0.02 0.00 0.00 31.44 30.42 1qtx n GLU 82 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1qtx h GLU 83 N 0.00 0.57 -0.75 3.49 4.57 -1.95 -1.57 114.58 118.94 1qtx h GLU 83 Ca 0.00 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 1qtx h GLU 83 Cb 0.52 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.95 1qtx h GLU 83 CO 0.00 0.38 0.40 1.49 -1.18 0.00 0.00 179.01 180.10 1qtx h GLU 84 N 0.59 1.06 -0.10 1.92 4.81 -1.83 0.24 114.58 121.27 1qtx h GLU 84 Ca 0.28 -0.13 -0.17 0.00 -0.13 0.00 0.00 59.36 59.22 1qtx h GLU 84 Cb 0.34 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1qtx h GLU 84 CO -0.09 0.79 -0.64 1.25 -0.73 0.00 0.00 179.01 179.59 1qtx h LEU 85 N 1.04 0.44 -0.62 1.64 5.85 -1.61 -1.67 115.31 120.39 1qtx h LEU 85 Ca 0.26 -0.26 -0.13 0.00 0.84 0.00 0.00 57.88 58.59 1qtx h LEU 85 Cb 0.05 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1qtx h LEU 85 CO -0.04 0.97 -0.33 0.11 -0.34 0.00 0.00 178.44 178.81 1qtx h LYS 86 N 0.28 0.73 -0.51 1.25 1.57 -0.88 -1.30 116.57 117.70 1qtx h LYS 86 Ca -0.01 -0.34 -0.11 0.00 -1.87 0.00 0.00 60.65 58.32 1qtx h LYS 86 Cb 1.19 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.47 1qtx h LYS 86 CO 0.11 0.96 -0.10 0.93 -0.57 0.00 0.00 179.45 180.78 1qtx h GLU 87 N 0.62 0.95 -0.55 3.15 5.08 -0.38 -1.55 114.58 121.90 1qtx h GLU 87 Ca 0.07 -0.33 -0.05 0.00 -1.00 0.00 0.00 59.36 58.05 1qtx h GLU 87 Cb 0.86 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 1qtx h GLU 87 CO 0.07 1.00 0.17 0.00 -1.00 0.00 0.00 179.01 179.25 1qtx h ALA 88 N 1.03 0.72 -0.68 3.43 0.00 -1.06 -2.66 119.26 120.03 1qtx h ALA 88 Ca 0.14 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1qtx h ALA 88 Cb 0.64 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1qtx h ALA 88 CO 0.04 0.39 0.44 0.35 0.00 0.00 0.00 179.25 180.46 1qtx h PHE 89 N 0.76 0.82 0.00 0.00 3.57 -0.96 -1.74 116.94 119.39 1qtx h PHE 89 Ca 0.18 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1qtx h PHE 89 Cb 0.29 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 1qtx h PHE 89 CO 0.02 0.48 -0.07 0.00 -2.23 0.00 0.00 178.31 176.51 1qtx h ARG 90 N 0.86 0.00 -0.39 1.11 3.08 -1.00 0.11 114.38 118.16 1qtx h ARG 90 Ca 0.27 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.17 1qtx h ARG 90 Cb -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1qtx h ARG 90 CO -0.09 0.07 -0.32 0.28 -1.07 0.00 0.00 179.97 178.83 1qtx h VAL 91 N 0.00 1.27 -0.04 2.04 2.07 -0.99 -3.21 116.25 117.40 1qtx h VAL 91 Ca -0.00 -1.49 -0.07 0.00 0.82 0.00 0.00 66.70 65.96 1qtx h VAL 91 Cb 0.21 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1qtx h VAL 91 CO 0.01 0.50 -0.24 -0.26 0.02 0.00 0.00 177.57 177.59 1qtx h PHE 92 N 0.74 0.33 -0.35 1.57 -1.00 -1.13 -3.37 116.94 113.73 1qtx h PHE 92 Ca 0.08 -0.15 -0.64 0.00 2.81 0.00 0.00 57.97 60.07 1qtx h PHE 92 Cb 0.89 -0.05 -0.04 0.00 3.61 0.00 0.00 35.95 40.36 1qtx h PHE 92 CO 0.05 0.88 2.43 -3.47 -1.61 0.00 0.00 178.31 176.59 1qtx n ASP 93 N -4.51 3.90 -0.27 2.17 2.03 0.27 -4.63 116.55 115.51 1qtx n ASP 93 Ca -0.09 -2.82 -0.04 0.00 0.52 0.00 0.00 54.79 52.37 1qtx n ASP 93 Cb 0.47 -1.61 0.02 0.00 -0.72 0.00 0.00 41.12 39.28 1qtx n ASP 93 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1qtx h LYS 94 N 7.31 -0.10 -0.12 -0.67 1.63 -1.74 0.72 116.57 123.60 1qtx h LYS 94 Ca 0.46 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.27 1qtx h LYS 94 Cb 0.76 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.41 1qtx h LYS 94 CO 1.67 -0.06 0.00 -0.40 -3.45 0.00 0.00 179.45 177.21 1qtx n ASP 95 N -5.45 0.71 -2.59 4.20 5.68 -1.26 -4.91 116.55 112.93 1qtx n ASP 95 Ca 0.06 -1.87 -0.15 0.00 -0.50 0.00 0.00 54.79 52.33 1qtx n ASP 95 Cb 0.37 -0.08 -0.00 0.00 -1.14 0.00 0.00 41.12 40.27 1qtx n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qtx n GLY 96 N 0.77 -0.50 0.46 6.12 0.00 0.24 -4.86 105.19 107.43 1qtx n GLY 96 Ca 0.07 0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.25 1qtx n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1qtx n ASN 97 N -1.92 1.43 0.00 1.61 6.94 -1.26 -4.91 115.26 117.14 1qtx n ASN 97 Ca -0.13 -1.48 0.00 0.00 -0.02 0.00 0.00 54.58 52.95 1qtx n ASN 97 Cb 0.61 -0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.02 1qtx n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1qtx n GLY 98 N 1.16 0.50 2.84 4.83 0.00 -1.26 -5.07 105.19 108.19 1qtx n GLY 98 Ca 0.19 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 1qtx n GLY 98 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qtx s PHE 99 N -2.08 0.23 -0.29 1.61 0.40 -1.26 -3.90 117.98 112.70 1qtx s PHE 99 Ca 0.00 0.01 -0.22 0.00 -0.60 0.00 0.00 56.93 56.12 1qtx s PHE 99 Cb 0.00 -0.30 -0.01 0.00 0.51 0.00 0.00 43.02 43.22 1qtx s PHE 99 CO 0.00 -0.09 0.71 0.42 0.70 0.00 0.00 175.22 176.96 1qtx s ILE 100 N 0.72 4.88 0.52 0.64 1.01 0.66 -4.84 121.20 124.79 1qtx s ILE 100 Ca -0.07 1.13 -0.04 0.00 0.00 0.00 0.00 60.65 61.67 1qtx s ILE 100 Cb -0.10 -4.05 -0.01 0.00 0.01 0.00 0.00 42.46 38.31 1qtx s ILE 100 CO -0.01 -0.13 0.79 -0.94 0.00 0.00 0.00 174.94 174.65 1qtx s SER 101 N 1.55 5.82 0.25 3.58 1.04 -1.26 -1.25 113.70 123.44 1qtx s SER 101 Ca 0.29 0.61 -0.05 0.00 0.48 0.00 0.00 55.95 57.28 1qtx s SER 101 Cb -0.15 -1.77 0.31 0.00 0.10 0.00 0.00 66.02 64.51 1qtx s SER 101 CO 0.11 -0.83 1.91 0.00 0.98 0.00 0.00 173.24 175.40 1qtx h ALA 102 N 0.11 1.30 -0.55 5.32 0.00 -1.97 -0.28 119.26 123.20 1qtx h ALA 102 Ca -0.46 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1qtx h ALA 102 Cb 1.24 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1qtx h ALA 102 CO 0.60 0.56 0.35 0.00 0.00 0.00 0.00 179.25 180.76 1qtx h ALA 103 N 1.40 0.70 -0.50 0.00 0.00 -1.99 0.25 119.26 119.11 1qtx h ALA 103 Ca 0.39 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.14 1qtx h ALA 103 Cb -0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1qtx h ALA 103 CO -0.12 0.16 -0.11 0.93 0.00 0.00 0.00 179.25 180.11 1qtx h GLU 104 N 0.74 0.94 -0.45 0.00 5.08 -1.73 -2.48 114.58 116.69 1qtx h GLU 104 Ca 0.20 -0.34 -0.07 0.00 -1.00 0.00 0.00 59.36 58.15 1qtx h GLU 104 Cb -0.06 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1qtx h GLU 104 CO -0.04 0.99 -0.01 1.25 -1.00 0.00 0.00 179.01 180.21 1qtx h LEU 105 N 0.84 0.78 -0.93 1.33 5.85 -0.68 -2.10 115.31 120.40 1qtx h LEU 105 Ca 0.13 -0.31 0.05 0.00 0.84 0.00 0.00 57.88 58.59 1qtx h LEU 105 Cb 0.65 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 1qtx h LEU 105 CO 0.05 0.90 0.60 0.03 -0.34 0.00 0.00 178.44 179.68 1qtx h ARG 106 N 0.64 1.10 -0.35 1.25 3.08 -0.81 -0.67 114.38 118.63 1qtx h ARG 106 Ca 0.13 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 1qtx h ARG 106 Cb 0.51 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1qtx h ARG 106 CO 0.02 0.73 0.10 1.25 -1.07 0.00 0.00 179.97 181.00 1qtx h HIS 107 N 1.14 0.57 -0.15 3.04 2.76 -1.15 -1.45 115.15 119.90 1qtx h HIS 107 Ca 0.39 -0.06 -0.11 0.00 -2.20 0.00 0.00 60.37 58.38 1qtx h HIS 107 Cb 0.07 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 28.86 1qtx h HIS 107 CO -0.01 0.57 -0.39 -0.24 -1.30 0.00 0.00 177.93 176.56 1qtx h VAL 108 N 0.41 1.30 -0.39 5.26 3.04 -1.02 -0.50 116.25 124.35 1qtx h VAL 108 Ca 0.11 -1.50 -0.03 0.00 -1.01 0.00 0.00 66.70 64.27 1qtx h VAL 108 Cb 0.27 1.61 -0.02 0.00 -2.01 0.00 0.00 31.29 31.15 1qtx h VAL 108 CO -0.00 0.46 0.12 0.24 -1.01 0.00 0.00 177.57 177.38 1qtx h MET 109 N 0.29 0.60 -0.50 4.17 2.07 -0.92 -1.20 114.93 119.43 1qtx h MET 109 Ca 0.03 -0.13 -0.01 0.00 -2.07 0.00 0.00 59.70 57.52 1qtx h MET 109 Cb 0.82 -0.09 -0.02 0.00 -1.87 0.00 0.00 31.60 30.44 1qtx h MET 109 CO 0.07 0.60 0.26 1.15 1.07 0.00 0.00 176.91 180.05 1qtx h THR 110 N 0.48 1.18 -0.90 2.22 2.02 -1.00 0.16 112.91 117.07 1qtx h THR 110 Ca 0.12 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 1qtx h THR 110 Cb 0.25 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 67.21 1qtx h THR 110 CO -0.00 0.20 0.53 0.78 0.37 0.00 0.00 175.52 177.40 1qtx h ASN 111 N 0.67 1.10 0.86 4.18 -0.26 -0.86 -2.17 115.58 119.10 1qtx h ASN 111 Ca 0.17 -0.08 0.00 0.00 -0.56 0.00 0.00 56.30 55.84 1qtx h ASN 111 Cb 0.09 -0.28 0.00 0.00 -1.06 0.00 0.00 38.32 37.07 1qtx h ASN 111 CO -0.02 0.85 0.00 0.18 -1.06 0.00 0.00 177.43 177.38 1qtx n LEU 112 N -4.38 0.04 0.00 1.61 4.77 -0.47 -4.69 117.00 113.88 1qtx n LEU 112 Ca 0.10 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 1qtx n LEU 112 Cb 0.07 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 1qtx n LEU 112 CO 0.38 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 1qtx n GLY 113 N 1.01 0.44 3.40 -0.72 0.00 -0.81 -4.90 105.19 103.61 1qtx n GLY 113 Ca 0.06 -0.96 -0.45 0.00 0.00 0.00 0.00 46.02 44.66 1qtx n GLY 113 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qtx s GLU 114 N -2.50 3.48 -0.25 1.61 2.56 -0.02 -5.01 118.70 118.57 1qtx s GLU 114 Ca 0.00 -1.84 -0.29 0.00 0.00 0.00 0.00 54.97 52.84 1qtx s GLU 114 Cb 0.00 -4.63 -0.02 0.00 2.00 0.00 0.00 34.13 31.47 1qtx s GLU 114 CO 0.00 -1.60 1.69 0.15 -0.56 0.00 0.00 175.26 174.95 1qtx s LYS 115 N 2.03 3.63 -0.02 4.30 3.01 -1.26 -4.34 119.74 127.09 1qtx s LYS 115 Ca 0.24 1.60 -0.05 0.00 -1.01 0.00 0.00 55.97 56.75 1qtx s LYS 115 Cb -0.10 -4.10 0.01 0.00 -1.01 0.00 0.00 37.83 32.62 1qtx s LYS 115 CO -0.06 -1.49 0.12 -0.51 0.51 0.00 0.00 175.35 173.92 1qtx s LEU 116 N 5.80 1.59 0.72 3.17 1.43 -1.26 -5.14 118.68 124.99 1qtx s LEU 116 Ca 0.75 0.01 -0.11 0.00 -1.03 0.00 0.00 54.13 53.75 1qtx s LEU 116 Cb -0.24 0.51 0.03 0.00 0.03 0.00 0.00 46.19 46.51 1qtx s LEU 116 CO 0.31 -0.20 1.08 0.42 0.23 0.00 0.00 176.35 178.19 1qtx s THR 117 N -0.64 3.65 0.39 5.49 -4.23 -1.26 -4.84 115.64 114.20 1qtx s THR 117 Ca -0.07 0.54 0.09 0.00 -1.18 0.00 0.00 61.69 61.07 1qtx s THR 117 Cb -0.04 -3.37 0.31 0.00 1.34 0.00 0.00 72.50 70.73 1qtx s THR 117 CO 0.01 -0.70 1.97 0.44 -0.54 0.00 0.00 174.62 175.79 1qtx h ASP 118 N -0.78 0.54 -0.70 3.99 5.19 -2.01 -0.94 116.42 121.70 1qtx h ASP 118 Ca -0.45 0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 55.89 1qtx h ASP 118 Cb 1.24 -0.11 -0.03 0.00 0.18 0.00 0.00 39.33 40.61 1qtx h ASP 118 CO 0.60 0.34 0.14 -0.08 -3.12 0.00 0.00 179.24 177.12 1qtx h GLU 119 N 0.61 1.14 -0.14 3.56 4.22 -1.99 -0.42 114.58 121.56 1qtx h GLU 119 Ca 0.30 -0.29 -0.11 0.00 0.08 0.00 0.00 59.36 59.34 1qtx h GLU 119 Cb 0.38 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1qtx h GLU 119 CO -0.10 1.02 -0.41 0.93 -2.18 0.00 0.00 179.01 178.27 1qtx h GLU 120 N 1.07 0.32 -0.33 1.92 5.08 -1.57 -1.59 114.58 119.48 1qtx h GLU 120 Ca 0.22 -0.15 -0.14 0.00 -1.00 0.00 0.00 59.36 58.28 1qtx h GLU 120 Cb 0.41 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1qtx h GLU 120 CO 0.01 0.68 -0.37 0.28 -1.00 0.00 0.00 179.01 178.61 1qtx h VAL 121 N 0.27 1.28 -0.09 3.13 2.07 -0.77 -2.40 116.25 119.74 1qtx h VAL 121 Ca 0.02 -1.53 -0.06 0.00 0.82 0.00 0.00 66.70 65.95 1qtx h VAL 121 Cb 0.84 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 1qtx h VAL 121 CO 0.07 0.50 -0.21 0.44 0.02 0.00 0.00 177.57 178.38 1qtx h ASP 122 N 0.64 0.14 0.02 0.57 3.32 -0.64 -1.50 116.42 118.97 1qtx h ASP 122 Ca 0.06 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 1qtx h ASP 122 Cb 0.91 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 1qtx h ASP 122 CO 0.08 0.36 -0.20 -0.33 -1.72 0.00 0.00 179.24 177.44 1qtx h GLU 123 N 0.13 0.32 -0.25 3.56 4.39 -0.83 0.15 114.58 122.05 1qtx h GLU 123 Ca 0.02 -0.10 -0.05 0.00 0.34 0.00 0.00 59.36 59.57 1qtx h GLU 123 Cb 0.46 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 1qtx h GLU 123 CO 0.03 0.52 -0.05 0.52 -1.16 0.00 0.00 179.01 178.87 1qtx h MET 124 N 0.30 0.47 -0.40 2.33 2.86 -0.85 -1.20 114.93 118.43 1qtx h MET 124 Ca 0.05 -0.18 0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1qtx h MET 124 Cb 0.53 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 1qtx h MET 124 CO 0.03 0.69 0.26 0.82 1.06 0.00 0.00 176.91 179.77 1qtx h ILE 125 N 0.22 1.08 -0.93 -1.22 1.08 -1.04 -2.21 117.51 114.49 1qtx h ILE 125 Ca 0.06 -0.18 0.02 0.00 -0.39 0.00 0.00 64.86 64.37 1qtx h ILE 125 Cb 0.51 0.52 -0.05 0.00 -3.07 0.00 0.00 36.82 34.72 1qtx h ILE 125 CO 0.02 0.10 0.61 -0.09 -0.69 0.00 0.00 178.15 178.10 1qtx h ARG 126 N 0.52 1.20 -0.44 2.37 2.43 -0.84 0.38 114.38 120.00 1qtx h ARG 126 Ca 0.15 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 1qtx h ARG 126 Cb -0.04 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 29.22 1qtx h ARG 126 CO -0.05 0.79 0.06 1.49 -1.51 0.00 0.00 179.97 180.76 1qtx h GLU 127 N 1.23 0.73 0.00 0.20 4.81 -0.83 -3.22 114.58 117.50 1qtx h GLU 127 Ca 0.35 -0.20 -0.21 0.00 -0.13 0.00 0.00 59.36 59.17 1qtx h GLU 127 Cb -0.10 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.17 1qtx h GLU 127 CO -0.08 0.77 -0.98 0.00 -0.73 0.00 0.00 179.01 177.98 1qtx h ALA 128 N 0.94 0.36 -0.90 2.92 0.00 -0.96 -3.43 119.26 118.19 1qtx h ALA 128 Ca 0.13 -0.89 -0.46 0.00 0.00 0.00 0.00 54.91 53.69 1qtx h ALA 128 Cb 0.40 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 1qtx h ALA 128 CO 0.01 1.22 1.17 0.34 0.00 0.00 0.00 179.25 182.00 1qtx s ASP 129 N -6.70 5.86 0.07 0.00 2.15 0.13 -4.75 116.67 113.43 1qtx s ASP 129 Ca 0.01 -1.15 -0.03 0.00 0.43 0.00 0.00 52.55 51.81 1qtx s ASP 129 Cb 0.10 -2.57 -0.27 0.00 -0.30 0.00 0.00 42.92 39.88 1qtx s ASP 129 CO 0.82 -2.10 1.10 0.58 -0.17 0.00 0.00 175.17 175.40 1qtx h VAL 130 N 6.94 1.46 -0.00 1.11 2.07 -1.85 -3.31 116.25 122.67 1qtx h VAL 130 Ca 0.16 -3.06 0.00 0.00 0.82 0.00 0.00 66.70 64.63 1qtx h VAL 130 Cb 1.00 2.90 0.00 0.00 -1.52 0.00 0.00 31.29 33.67 1qtx h VAL 130 CO 1.33 0.89 -0.10 -0.90 0.02 0.00 0.00 177.57 178.80 1qtx n ASP 131 N -3.49 0.19 -0.16 0.57 5.68 -1.26 -4.96 116.55 113.12 1qtx n ASP 131 Ca -0.09 -0.01 -0.02 0.00 -0.50 0.00 0.00 54.79 54.17 1qtx n ASP 131 Cb 1.02 -0.24 -0.01 0.00 -1.14 0.00 0.00 41.12 40.75 1qtx n ASP 131 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qtx n GLY 132 N 1.40 0.55 0.40 6.12 0.00 -1.25 -4.92 105.19 107.49 1qtx n GLY 132 Ca 0.10 -0.93 0.12 0.00 0.00 0.00 0.00 46.02 45.32 1qtx n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qtx n ASP 133 N 1.54 1.23 0.00 1.61 5.75 -1.26 -4.91 116.55 120.51 1qtx n ASP 133 Ca -0.02 -1.52 0.00 0.00 -0.01 0.00 0.00 54.79 53.24 1qtx n ASP 133 Cb 0.07 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 1qtx n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qtx n GLY 134 N 1.09 0.90 3.40 6.12 0.00 -1.26 -5.01 105.19 110.44 1qtx n GLY 134 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 1qtx n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qtx s GLN 135 N -0.13 1.70 -0.27 1.61 -0.21 -1.26 -4.65 119.66 116.45 1qtx s GLN 135 Ca 0.00 -1.99 -0.02 0.00 0.02 0.00 0.00 55.36 53.37 1qtx s GLN 135 Cb 0.00 -0.36 0.03 0.00 1.00 0.00 0.00 33.01 33.68 1qtx s GLN 135 CO 0.00 -0.42 -0.03 0.08 -2.12 0.00 0.00 175.29 172.79 1qtx s VAL 136 N -3.44 2.96 0.87 1.09 1.01 -0.38 -4.63 120.40 117.88 1qtx s VAL 136 Ca 0.32 -1.13 -0.10 0.00 0.00 0.00 0.00 61.98 61.07 1qtx s VAL 136 Cb 0.05 -2.57 0.17 0.00 0.00 0.00 0.00 36.38 34.03 1qtx s VAL 136 CO 0.16 0.09 1.19 0.54 0.00 0.00 0.00 175.10 177.09 1qtx s ASN 137 N 1.31 3.60 0.17 3.32 2.20 -1.26 -0.25 114.94 124.03 1qtx s ASN 137 Ca -0.02 0.01 -0.14 0.00 -0.94 0.00 0.00 52.86 51.77 1qtx s ASN 137 Cb -0.18 -0.18 0.09 0.00 -2.00 0.00 0.00 41.25 38.99 1qtx s ASN 137 CO -0.03 -2.39 1.79 0.22 -2.94 0.00 0.00 177.10 173.74 1qtx h TYR 138 N -1.20 0.43 -0.90 1.54 3.20 -2.00 -1.61 116.97 116.42 1qtx h TYR 138 Ca -0.41 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.51 1qtx h TYR 138 Cb 1.25 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 39.34 1qtx h TYR 138 CO -0.78 0.22 0.58 1.49 -1.64 0.00 0.00 178.16 178.04 1qtx h GLU 139 N 0.47 1.10 -0.10 1.82 4.81 -1.94 -0.12 114.58 120.62 1qtx h GLU 139 Ca 0.19 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.25 1qtx h GLU 139 Cb 0.09 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 1qtx h GLU 139 CO -0.13 0.73 -0.41 0.93 -0.73 0.00 0.00 179.01 179.40 1qtx h GLU 140 N 1.13 0.22 -0.20 1.92 5.08 -1.75 -2.21 114.58 118.77 1qtx h GLU 140 Ca 0.36 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.59 1qtx h GLU 140 Cb 0.01 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1qtx h GLU 140 CO -0.12 0.59 -0.01 0.35 -1.00 0.00 0.00 179.01 178.83 1qtx h PHE 141 N 0.18 0.39 -0.54 4.33 3.57 -0.36 -2.45 116.94 122.05 1qtx h PHE 141 Ca 0.02 -0.07 0.08 0.00 3.53 0.00 0.00 57.97 61.53 1qtx h PHE 141 Cb 0.81 -0.10 -0.07 0.00 2.79 0.00 0.00 35.95 39.38 1qtx h PHE 141 CO 0.01 0.56 0.17 0.28 -2.23 0.00 0.00 178.31 177.10 1qtx h VAL 142 N 0.11 0.77 -0.61 1.41 2.07 -0.79 -1.13 116.25 118.07 1qtx h VAL 142 Ca 0.06 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 1qtx h VAL 142 Cb 0.41 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1qtx h VAL 142 CO 0.01 0.06 0.28 -0.61 0.02 0.00 0.00 177.57 177.33 1qtx h GLN 143 N 0.34 0.90 0.00 1.57 5.75 -1.24 -2.24 115.11 120.19 1qtx h GLN 143 Ca 0.27 -0.14 0.00 0.00 -0.15 0.00 0.00 58.65 58.63 1qtx h GLN 143 Cb 0.33 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.72 1qtx h GLN 143 CO -0.29 0.74 0.00 -0.39 -2.65 0.00 0.00 178.83 176.23 1qtx h VAL 144 N 0.84 0.00 0.00 2.39 -1.51 -1.09 -2.82 116.25 114.06 1qtx h VAL 144 Ca 0.21 -0.57 0.00 0.00 -1.23 0.00 0.00 66.70 65.11 1qtx h VAL 144 Cb 0.15 1.51 0.00 0.00 -2.13 0.00 0.00 31.29 30.82 1qtx h VAL 144 CO -0.02 0.00 -0.20 0.24 -1.23 0.00 0.00 177.57 176.36 1qtx h MET 145 N 0.00 0.00 -6.63 5.19 2.86 -0.67 -3.46 114.93 112.22 1qtx h MET 145 Ca 0.00 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.11 1qtx h MET 145 Cb 0.67 0.00 0.04 0.00 0.06 0.00 0.00 31.60 32.37 1qtx h MET 145 CO 0.00 0.00 0.79 -1.64 1.06 0.00 0.00 176.91 177.12 1qtx s MET 146 N -3.14 4.27 0.38 1.72 1.00 -0.89 -4.90 119.30 117.74 1qtx s MET 146 Ca 0.09 2.24 0.08 0.00 0.00 0.00 0.00 55.69 58.10 1qtx s MET 146 Cb 0.11 -3.17 0.77 0.00 0.00 0.00 0.00 34.83 32.55 1qtx s MET 146 CO 0.65 -0.48 1.94 0.00 0.00 0.00 0.00 175.02 177.12 1qtx h ALA 147 N 6.24 1.53 0.00 3.03 0.00 -1.89 -3.50 119.26 124.66 1qtx h ALA 147 Ca -0.43 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1qtx h ALA 147 Cb 1.21 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1qtx h ALA 147 CO 0.85 0.34 0.00 1.17 0.00 0.00 0.00 179.25 181.62