#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dqe h GLN 2 N 0.00 0.49 -0.53 4.33 4.20 -1.82 -1.19 115.11 120.59 1dqe h GLN 2 Ca 0.00 -0.03 0.10 0.00 0.06 0.00 0.00 58.65 58.78 1dqe h GLN 2 Cb 0.00 -0.11 -0.08 0.00 0.30 0.00 0.00 27.48 27.59 1dqe h GLN 2 CO 0.00 0.32 0.09 0.93 -0.67 0.00 0.00 178.83 179.50 1dqe h GLU 3 N 0.50 0.21 -0.44 1.46 3.07 -1.97 0.20 114.58 117.62 1dqe h GLU 3 Ca 0.17 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.99 1dqe h GLU 3 Cb 0.02 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.86 1dqe h GLU 3 CO -0.08 0.14 0.15 0.28 -1.40 0.00 0.00 179.01 178.10 1dqe h VAL 4 N 0.22 1.21 -0.76 3.13 2.07 -1.88 -2.52 116.25 117.72 1dqe h VAL 4 Ca 0.27 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 1dqe h VAL 4 Cb 0.39 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1dqe h VAL 4 CO -0.37 0.25 0.38 0.24 0.02 0.00 0.00 177.57 178.09 1dqe h MET 5 N 0.57 1.08 -0.42 1.57 2.86 -0.46 0.24 114.93 120.36 1dqe h MET 5 Ca 0.14 -0.14 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 1dqe h MET 5 Cb 0.24 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 31.65 1dqe h MET 5 CO -0.01 0.82 0.19 -0.22 1.06 0.00 0.00 176.91 178.75 1dqe h LYS 6 N 1.08 0.37 -0.62 1.72 3.64 -0.41 -0.48 116.57 121.87 1dqe h LYS 6 Ca 0.27 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.57 1dqe h LYS 6 Cb 0.08 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 1dqe h LYS 6 CO -0.04 0.25 0.17 -0.97 -2.27 0.00 0.00 179.45 176.59 1dqe h ASN 7 N 0.39 0.93 -0.79 4.20 -0.00 -0.83 0.55 115.58 120.01 1dqe h ASN 7 Ca 0.19 -0.22 -0.05 0.00 -0.00 0.00 0.00 56.30 56.22 1dqe h ASN 7 Cb 0.13 -0.24 -0.03 0.00 -0.00 0.00 0.00 38.32 38.17 1dqe h ASN 7 CO -0.15 0.91 0.31 -0.07 -0.00 0.00 0.00 177.43 178.42 1dqe h LEU 8 N 0.90 1.10 -0.27 0.34 4.07 -0.51 -1.36 115.31 119.58 1dqe h LEU 8 Ca 0.20 -0.18 -0.05 0.00 0.08 0.00 0.00 57.88 57.93 1dqe h LEU 8 Cb 0.33 -0.29 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 1dqe h LEU 8 CO -0.00 0.98 -0.02 0.28 -1.08 0.00 0.00 178.44 178.60 1dqe h SER 9 N 1.16 0.48 -0.69 -0.43 0.02 -0.57 0.35 113.55 113.86 1dqe h SER 9 Ca 0.26 -0.33 -0.03 0.00 -0.84 0.00 0.00 61.79 60.85 1dqe h SER 9 Cb 0.23 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 1dqe h SER 9 CO -0.02 0.69 0.30 -0.07 -1.14 0.00 0.00 176.83 176.59 1dqe h LEU 10 N 0.25 0.94 -1.17 5.07 3.38 -0.82 -1.89 115.31 121.07 1dqe h LEU 10 Ca 0.07 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 1dqe h LEU 10 Cb 0.46 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1dqe h LEU 10 CO 0.02 0.83 -0.28 0.78 0.09 0.00 0.00 178.44 179.89 1dqe h ASN 11 N 0.98 0.23 0.09 -0.43 2.35 -1.12 -2.85 115.58 114.82 1dqe h ASN 11 Ca 0.23 -0.07 -0.14 0.00 -0.55 0.00 0.00 56.30 55.78 1dqe h ASN 11 Cb 0.17 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 1dqe h ASN 11 CO -0.02 0.51 -0.47 0.15 -1.65 0.00 0.00 177.43 175.95 1dqe h PHE 12 N 0.20 0.54 -0.00 1.19 3.57 -0.76 -3.18 116.94 118.50 1dqe h PHE 12 Ca 0.03 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.36 1dqe h PHE 12 Cb 0.60 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.23 1dqe h PHE 12 CO 0.01 0.83 -0.13 0.41 -2.23 0.00 0.00 178.31 177.21 1dqe n GLY 13 N 0.05 -1.08 0.27 2.40 0.00 -0.73 -4.35 105.19 101.76 1dqe n GLY 13 Ca -0.02 -0.24 -0.05 0.00 0.00 0.00 0.00 46.02 45.70 1dqe n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dqe h LYS 14 N 0.39 0.90 -0.41 1.61 1.57 -1.49 0.19 116.57 119.33 1dqe h LYS 14 Ca 0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1dqe h LYS 14 Cb 0.38 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1dqe h LYS 14 CO 0.00 0.62 0.00 0.00 -0.57 0.00 0.00 179.45 179.50 1dqe n ALA 15 N -2.30 2.33 -0.21 3.86 0.00 -1.26 -4.33 120.51 118.60 1dqe n ALA 15 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.44 1dqe n ALA 15 Cb 0.04 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 18.53 1dqe n ALA 15 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1dqe h LEU 16 N 0.07 0.66 -0.90 0.00 5.85 -0.88 -1.12 115.31 118.99 1dqe h LEU 16 Ca 0.00 -0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.81 1dqe h LEU 16 Cb 0.20 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.00 1dqe h LEU 16 CO 0.00 0.47 0.54 0.44 -0.34 0.00 0.00 178.44 179.55 1dqe h ASP 17 N 0.78 0.79 -0.20 1.25 3.45 -1.79 0.45 116.42 121.15 1dqe h ASP 17 Ca 0.23 0.04 -0.02 0.00 0.43 0.00 0.00 57.03 57.71 1dqe h ASP 17 Cb -0.06 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 38.59 1dqe h ASP 17 CO -0.06 0.45 0.05 -0.08 -1.57 0.00 0.00 179.24 178.02 1dqe h GLU 18 N 0.89 0.32 -0.43 3.56 4.81 -1.68 -1.70 114.58 120.35 1dqe h GLU 18 Ca 0.43 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.56 1dqe h GLU 18 Cb 0.38 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 1dqe h GLU 18 CO -0.25 0.44 0.18 0.00 -0.73 0.00 0.00 179.01 178.65 1dqe h LYS 20 N 0.60 0.29 0.55 0.00 3.64 0.62 -1.38 116.57 120.90 1dqe h LYS 20 Ca 0.15 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1dqe h LYS 20 Cb 0.11 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1dqe h LYS 20 CO -0.02 0.42 -0.29 0.87 -2.27 0.00 0.00 179.45 178.17 1dqe h LYS 21 N 0.11 -0.74 -0.81 1.90 1.57 -1.26 -1.48 116.57 115.86 1dqe h LYS 21 Ca 0.06 0.05 0.20 0.00 -1.87 0.00 0.00 60.65 59.09 1dqe h LYS 21 Cb 0.26 0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.69 1dqe h LYS 21 CO -0.00 -0.49 0.55 0.93 -0.57 0.00 0.00 179.45 179.87 1dqe h GLU 22 N -0.77 0.22 -0.55 3.15 5.08 -1.41 0.34 114.58 120.64 1dqe h GLU 22 Ca -0.08 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1dqe h GLU 22 Cb 0.60 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1dqe h GLU 22 CO 0.11 0.15 0.00 -1.33 -1.00 0.00 0.00 179.01 176.93 1dqe n MET 23 N -4.42 2.68 -4.17 2.33 2.81 -0.52 -4.99 117.12 110.84 1dqe n MET 23 Ca 0.16 -2.39 -0.30 0.00 -1.81 0.00 0.00 57.70 53.37 1dqe n MET 23 Cb 0.72 -1.46 -0.06 0.00 -0.71 0.00 0.00 33.22 31.71 1dqe n MET 23 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1dqe n THR 24 N 1.26 -1.83 -2.95 2.03 -1.04 0.12 -4.92 114.28 106.95 1dqe n THR 24 Ca 0.19 -0.43 -0.35 0.00 -2.04 0.00 0.00 64.05 61.42 1dqe n THR 24 Cb 0.55 -1.74 -0.06 0.00 -1.82 0.00 0.00 70.33 67.26 1dqe n THR 24 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1dqe s LEU 25 N -7.19 4.24 1.00 -4.42 1.43 -0.95 -5.05 118.68 107.72 1dqe s LEU 25 Ca 0.11 1.59 -0.15 0.00 -1.03 0.00 0.00 54.13 54.65 1dqe s LEU 25 Cb -0.06 -3.96 0.19 0.00 0.03 0.00 0.00 46.19 42.38 1dqe s LEU 25 CO 0.95 -0.10 1.17 0.42 0.23 0.00 0.00 176.35 179.02 1dqe s THR 26 N -1.73 1.90 -2.00 5.49 -4.23 -1.26 -4.90 115.64 108.91 1dqe s THR 26 Ca 0.50 0.00 0.24 0.00 -1.18 0.00 0.00 61.69 61.26 1dqe s THR 26 Cb -0.15 -2.73 0.69 0.00 1.34 0.00 0.00 72.50 71.65 1dqe s THR 26 CO 0.20 0.00 1.88 0.47 -0.54 0.00 0.00 174.62 176.63 1dqe n ASP 27 N -4.02 0.00 0.06 3.99 8.00 -1.26 -3.25 116.55 120.06 1dqe n ASP 27 Ca 0.10 -1.05 0.15 0.00 0.71 0.00 0.00 54.79 54.70 1dqe n ASP 27 Cb 0.59 0.00 0.64 0.00 -0.02 0.00 0.00 41.12 42.33 1dqe n ASP 27 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1dqe h ALA 28 N 3.65 2.26 0.00 2.24 0.00 -2.03 -0.39 119.26 124.99 1dqe h ALA 28 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1dqe h ALA 28 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1dqe h ALA 28 CO 0.00 -0.36 0.00 -0.84 0.00 0.00 0.00 179.25 178.05 1dqe h ILE 29 N 0.09 0.00 -0.49 0.00 3.07 -1.93 -3.27 117.51 114.98 1dqe h ILE 29 Ca 0.19 -0.29 -0.06 0.00 1.55 0.00 0.00 64.86 66.24 1dqe h ILE 29 Cb 0.63 1.08 -0.02 0.00 -0.27 0.00 0.00 36.82 38.24 1dqe h ILE 29 CO -0.02 0.00 0.05 0.78 -1.05 0.00 0.00 178.15 177.92 1dqe h ASN 30 N 0.00 0.80 0.42 2.16 2.35 -1.33 -1.41 115.58 118.57 1dqe h ASN 30 Ca 0.00 -0.28 -0.05 0.00 -0.55 0.00 0.00 56.30 55.42 1dqe h ASN 30 Cb 0.43 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1dqe h ASN 30 CO 0.00 0.87 -0.25 -0.08 -1.65 0.00 0.00 177.43 176.32 1dqe h GLU 31 N 0.69 0.00 -0.09 0.81 4.81 -1.74 0.16 114.58 119.22 1dqe h GLU 31 Ca 0.14 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.14 1dqe h GLU 31 Cb 0.43 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.83 1dqe h GLU 31 CO 0.01 0.25 -0.87 -0.44 -0.73 0.00 0.00 179.01 177.24 1dqe h ASP 32 N 0.00 0.92 0.10 1.04 3.32 -1.47 -1.43 116.42 118.90 1dqe h ASP 32 Ca -0.00 -0.67 -0.22 0.00 0.02 0.00 0.00 57.03 56.15 1dqe h ASP 32 Cb 0.53 -0.28 0.01 0.00 0.22 0.00 0.00 39.33 39.81 1dqe h ASP 32 CO 0.03 1.46 -0.85 -0.26 -1.72 0.00 0.00 179.24 177.90 1dqe h PHE 33 N 0.46 0.82 -0.33 4.55 -1.00 -1.20 -0.74 116.94 119.50 1dqe h PHE 33 Ca -0.08 -0.40 -0.03 0.00 2.81 0.00 0.00 57.97 60.27 1dqe h PHE 33 Cb 1.51 -0.11 -0.02 0.00 3.61 0.00 0.00 35.95 40.94 1dqe h PHE 33 CO 0.10 1.21 0.06 -0.92 -1.61 0.00 0.00 178.31 177.14 1dqe h TYR 34 N 0.37 0.50 -0.67 -0.55 3.20 -0.94 -2.81 116.97 116.07 1dqe h TYR 34 Ca -0.07 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.77 1dqe h TYR 34 Cb 1.47 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.59 1dqe h TYR 34 CO 0.07 0.46 0.00 0.09 -1.64 0.00 0.00 178.16 177.14 1dqe n ASN 35 N -4.33 3.87 -0.27 -2.11 3.02 -0.54 -4.74 115.26 110.16 1dqe n ASN 35 Ca 0.02 -2.00 0.07 0.00 -0.03 0.00 0.00 54.58 52.63 1dqe n ASN 35 Cb 0.20 -0.45 0.21 0.00 -0.61 0.00 0.00 39.78 39.12 1dqe n ASN 35 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1dqe h PHE 36 N 4.31 0.50 -0.55 3.10 3.57 -0.85 -1.74 116.94 125.28 1dqe h PHE 36 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1dqe h PHE 36 Cb 0.99 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.63 1dqe h PHE 36 CO 0.45 0.02 0.00 0.91 -2.23 0.00 0.00 178.31 177.46 1dqe n TRP 37 N -5.04 1.60 -2.73 0.41 5.03 -1.26 -4.89 117.44 110.55 1dqe n TRP 37 Ca 0.16 -0.69 -0.43 0.00 3.03 0.00 0.00 57.50 59.57 1dqe n TRP 37 Cb 0.46 -0.35 -0.03 0.00 -1.03 0.00 0.00 31.31 30.37 1dqe n TRP 37 CO 0.00 0.00 0.00 0.21 -0.03 0.00 0.00 177.69 177.87 1dqe s LYS 38 N -2.32 4.15 0.32 -0.99 2.47 -0.66 -4.82 119.74 117.90 1dqe s LYS 38 Ca 0.50 1.09 -0.29 0.00 -1.56 0.00 0.00 55.97 55.72 1dqe s LYS 38 Cb 0.36 -3.68 -0.10 0.00 -1.46 0.00 0.00 37.83 32.94 1dqe s LYS 38 CO 0.19 -0.70 1.37 -2.00 0.16 0.00 0.00 175.35 174.37 1dqe s GLU 39 N 3.24 4.29 0.00 4.03 2.12 -1.26 -1.75 118.70 129.37 1dqe s GLU 39 Ca 0.41 2.30 0.00 0.00 0.36 0.00 0.00 54.97 58.05 1dqe s GLU 39 Cb -0.14 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.19 1dqe s GLU 39 CO 0.10 -0.31 0.00 0.41 -0.54 0.00 0.00 175.26 174.92 1dqe n GLY 40 N 1.08 2.50 3.69 -1.50 0.00 -1.26 -5.01 105.19 104.70 1dqe n GLY 40 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1dqe n GLY 40 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1dqe s TYR 41 N -2.61 2.95 -0.25 1.61 5.04 -0.71 -5.01 117.35 118.37 1dqe s TYR 41 Ca 0.00 0.91 -0.19 0.00 -2.44 0.00 0.00 57.07 55.35 1dqe s TYR 41 Cb 0.00 -3.61 -0.02 0.00 0.35 0.00 0.00 41.96 38.67 1dqe s TYR 41 CO 0.00 -2.20 0.56 -1.21 -1.34 0.00 0.00 175.55 171.35 1dqe s GLU 42 N 2.27 4.10 -0.16 4.97 0.41 -1.26 -4.95 118.70 124.08 1dqe s GLU 42 Ca 0.62 0.42 -0.28 0.00 -0.41 0.00 0.00 54.97 55.32 1dqe s GLU 42 Cb -0.30 -3.64 -0.01 0.00 -1.78 0.00 0.00 34.13 28.40 1dqe s GLU 42 CO 0.26 -0.35 0.95 0.42 -0.49 0.00 0.00 175.26 176.06 1dqe s ILE 43 N 2.29 4.79 0.00 -1.63 1.01 -1.26 -4.89 121.20 121.51 1dqe s ILE 43 Ca 0.23 1.89 0.00 0.00 0.00 0.00 0.00 60.65 62.78 1dqe s ILE 43 Cb -0.16 -4.25 0.00 0.00 0.01 0.00 0.00 42.46 38.06 1dqe s ILE 43 CO 0.09 -0.04 0.03 0.29 0.00 0.00 0.00 174.94 175.31 1dqe n LYS 44 N 5.44 1.20 -2.15 2.79 5.02 -1.26 -4.98 118.16 124.21 1dqe n LYS 44 Ca 0.08 -0.03 -0.43 0.00 -2.02 0.00 0.00 58.31 55.92 1dqe n LYS 44 Cb 0.48 -0.23 -0.03 0.00 -0.02 0.00 0.00 35.03 35.23 1dqe n LYS 44 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1dqe s ASN 45 N -0.18 6.71 0.31 4.39 0.01 -1.26 -4.92 114.94 120.00 1dqe s ASN 45 Ca 0.00 1.96 0.05 0.00 -0.71 0.00 0.00 52.86 54.16 1dqe s ASN 45 Cb 0.00 -2.53 0.83 0.00 0.41 0.00 0.00 41.25 39.96 1dqe s ASN 45 CO 0.00 -0.93 1.60 -0.09 -1.51 0.00 0.00 177.10 176.17 1dqe h ARG 46 N 9.32 0.07 0.00 -0.60 2.43 -1.96 -0.19 114.38 123.46 1dqe h ARG 46 Ca -0.34 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.81 1dqe h ARG 46 Cb 1.15 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1dqe h ARG 46 CO 0.97 0.05 -0.04 0.93 -1.51 0.00 0.00 179.97 180.36 1dqe h GLU 47 N 0.07 0.00 -0.05 0.20 5.08 -1.92 -0.65 114.58 117.31 1dqe h GLU 47 Ca 0.62 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.85 1dqe h GLU 47 Cb 1.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 1dqe h GLU 47 CO -0.81 0.04 -0.57 1.15 -1.00 0.00 0.00 179.01 177.83 1dqe h THR 48 N 0.00 1.38 -0.18 1.13 2.02 -1.40 0.78 112.91 116.64 1dqe h THR 48 Ca -0.00 -1.91 -0.01 0.00 0.77 0.00 0.00 66.41 65.26 1dqe h THR 48 Cb 0.14 1.98 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 1dqe h THR 48 CO 0.01 0.56 0.08 1.23 0.37 0.00 0.00 175.52 177.77 1dqe h GLY 49 N 1.51 0.28 0.51 2.16 0.00 -1.13 0.32 103.07 106.73 1dqe h GLY 49 Ca -0.00 -0.15 0.09 0.00 0.00 0.00 0.00 47.33 47.27 1dqe h GLY 49 CO 0.08 0.14 0.42 0.00 0.00 0.00 0.00 176.54 177.18 1dqe h ALA 51 N 1.44 0.41 -0.86 0.00 0.00 -0.49 -1.59 119.26 118.17 1dqe h ALA 51 Ca 0.37 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1dqe h ALA 51 Cb 0.35 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1dqe h ALA 51 CO -0.25 0.07 0.46 0.82 0.00 0.00 0.00 179.25 180.35 1dqe h ILE 52 N 0.34 1.25 -0.55 0.00 2.04 -0.71 0.49 117.51 120.37 1dqe h ILE 52 Ca 0.10 -0.64 -0.00 0.00 1.00 0.00 0.00 64.86 65.32 1dqe h ILE 52 Cb 0.29 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.45 1dqe h ILE 52 CO 0.00 0.29 0.33 -0.03 0.00 0.00 0.00 178.15 178.74 1dqe h MET 53 N 1.20 0.74 -0.48 2.37 4.05 -0.94 0.41 114.93 122.29 1dqe h MET 53 Ca 0.30 -0.07 0.02 0.00 -0.28 0.00 0.00 59.70 59.68 1dqe h MET 53 Cb 0.04 -0.16 -0.03 0.00 -0.80 0.00 0.00 31.60 30.65 1dqe h MET 53 CO -0.05 0.54 0.28 0.00 0.23 0.00 0.00 176.91 177.91 1dqe h LEU 55 N 0.56 0.33 -1.22 0.00 3.38 -0.40 -0.66 115.31 117.30 1dqe h LEU 55 Ca 0.19 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.08 1dqe h LEU 55 Cb 0.02 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1dqe h LEU 55 CO -0.09 0.34 0.53 0.28 0.09 0.00 0.00 178.44 179.59 1dqe h SER 56 N 0.30 0.89 -0.41 -0.43 0.02 -0.84 -2.31 113.55 110.75 1dqe h SER 56 Ca 0.09 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.92 1dqe h SER 56 Cb 0.09 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1dqe h SER 56 CO -0.01 0.63 -0.15 0.74 -1.14 0.00 0.00 176.83 176.89 1dqe h THR 57 N 1.04 1.28 -0.83 -2.27 2.02 -0.19 -0.53 112.91 113.43 1dqe h THR 57 Ca 0.31 -1.27 0.03 0.00 0.77 0.00 0.00 66.41 66.25 1dqe h THR 57 Cb -0.04 1.23 -0.05 0.00 -1.74 0.00 0.00 68.15 67.56 1dqe h THR 57 CO -0.08 0.43 0.54 0.11 0.37 0.00 0.00 175.52 176.89 1dqe h LYS 58 N 0.65 1.00 -0.28 6.66 1.57 -1.08 -2.38 116.57 122.71 1dqe h LYS 58 Ca 0.10 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1dqe h LYS 58 Cb 0.70 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1dqe h LYS 58 CO 0.05 0.66 0.00 1.28 -0.57 0.00 0.00 179.45 180.87 1dqe n LEU 59 N -4.44 0.74 -2.67 2.94 4.77 -0.88 -4.92 117.00 112.55 1dqe n LEU 59 Ca 0.11 -0.37 -0.20 0.00 -0.03 0.00 0.00 56.01 55.51 1dqe n LEU 59 Cb 0.10 -0.16 0.01 0.00 -2.33 0.00 0.00 43.42 41.03 1dqe n LEU 59 CO 0.35 0.16 -0.15 0.59 -1.33 0.00 0.00 177.39 177.01 1dqe n ASN 60 N -0.16 -5.46 -0.93 -1.43 3.02 -0.90 -4.89 115.26 104.52 1dqe n ASN 60 Ca 0.03 -0.09 0.08 0.00 -0.03 0.00 0.00 54.58 54.57 1dqe n ASN 60 Cb 0.14 -4.51 0.22 0.00 -0.61 0.00 0.00 39.78 35.02 1dqe n ASN 60 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1dqe n MET 61 N -3.34 2.17 -4.69 3.52 2.81 -0.23 -4.73 117.12 112.61 1dqe n MET 61 Ca -0.17 -1.80 -0.25 0.00 -1.81 0.00 0.00 57.70 53.66 1dqe n MET 61 Cb 0.64 -1.39 -0.14 0.00 -0.71 0.00 0.00 33.22 31.62 1dqe n MET 61 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1dqe s LEU 62 N -1.00 2.13 0.00 4.03 1.43 -1.26 -0.08 118.68 123.94 1dqe s LEU 62 Ca 0.34 -0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 52.94 1dqe s LEU 62 Cb 0.17 -0.95 0.11 0.00 0.03 0.00 0.00 46.19 45.56 1dqe s LEU 62 CO 0.23 0.17 0.73 -0.90 0.23 0.00 0.00 176.35 176.81 1dqe n ASP 63 N 2.04 0.79 0.20 2.29 5.68 0.12 -4.74 116.55 122.94 1dqe n ASP 63 Ca -0.17 -1.71 0.14 0.00 -0.50 0.00 0.00 54.79 52.55 1dqe n ASP 63 Cb 0.53 -0.49 0.40 0.00 -1.14 0.00 0.00 41.12 40.42 1dqe n ASP 63 CO 0.00 0.00 0.00 -0.65 -1.33 0.00 0.00 177.20 175.22 1dqe h PRO 64 N 0.00 0.00 0.00 0.11 0.11 -2.01 -2.14 132.00 128.08 1dqe h PRO 64 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1dqe h PRO 64 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1dqe h PRO 64 CO 0.24 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.42 1dqe n GLU 65 N -2.83 0.08 -0.46 1.05 1.02 -1.26 -4.93 120.64 113.30 1dqe n GLU 65 Ca 0.03 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 1dqe n GLU 65 Cb 0.41 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 1dqe n GLU 65 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dqe n GLY 66 N 0.83 0.76 3.92 0.62 0.00 -0.80 -5.08 105.19 105.43 1dqe n GLY 66 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 1dqe n GLY 66 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1dqe s ASN 67 N -2.33 6.31 0.33 1.61 0.01 -1.26 -4.76 114.94 114.84 1dqe s ASN 67 Ca 0.00 0.77 -0.29 0.00 -0.71 0.00 0.00 52.86 52.63 1dqe s ASN 67 Cb 0.00 -2.18 -0.11 0.00 0.41 0.00 0.00 41.25 39.38 1dqe s ASN 67 CO 0.00 -0.44 1.48 -0.22 -1.51 0.00 0.00 177.10 176.41 1dqe s LEU 68 N -4.44 4.35 -0.30 0.60 2.96 -1.26 0.14 118.68 120.74 1dqe s LEU 68 Ca 0.45 2.91 -0.28 0.00 -0.22 0.00 0.00 54.13 56.99 1dqe s LEU 68 Cb -0.10 -3.65 0.01 0.00 0.50 0.00 0.00 46.19 42.95 1dqe s LEU 68 CO 0.40 -0.80 0.99 -2.28 -1.32 0.00 0.00 176.35 173.34 1dqe s HIS 69 N -0.64 3.20 0.11 5.38 5.65 0.89 -4.68 115.29 125.20 1dqe s HIS 69 Ca 0.56 1.15 -0.12 0.00 0.25 0.00 0.00 55.06 56.90 1dqe s HIS 69 Cb -0.45 -3.48 -0.13 0.00 -1.18 0.00 0.00 32.58 27.34 1dqe s HIS 69 CO 0.54 -0.65 1.34 0.45 -0.65 0.00 0.00 174.74 175.77 1dqe h HIS 70 N 7.97 1.09 -0.37 3.88 -0.00 -1.94 -1.08 115.15 124.70 1dqe h HIS 70 Ca -0.21 -0.45 0.07 0.00 -0.00 0.00 0.00 60.37 59.78 1dqe h HIS 70 Cb 1.07 -0.18 -0.06 0.00 -0.00 0.00 0.00 27.41 28.24 1dqe h HIS 70 CO 0.80 1.28 -0.02 0.78 -0.00 0.00 0.00 177.93 180.78 1dqe h GLY 71 N 0.61 0.34 1.76 2.45 0.00 -1.98 -0.35 103.07 105.90 1dqe h GLY 71 Ca -0.03 0.06 -0.22 0.00 0.00 0.00 0.00 47.33 47.14 1dqe h GLY 71 CO 0.15 -0.10 -1.00 3.43 0.00 0.00 0.00 176.54 179.02 1dqe h ASN 72 N 0.08 0.28 -0.51 0.19 2.35 -1.83 -1.27 115.58 114.88 1dqe h ASN 72 Ca 0.18 -0.26 -0.07 0.00 -0.55 0.00 0.00 56.30 55.60 1dqe h ASN 72 Cb 0.25 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 1dqe h ASN 72 CO -0.31 1.12 0.07 0.00 -1.65 0.00 0.00 177.43 176.66 1dqe h ALA 73 N 0.85 1.08 -0.47 -0.83 0.00 -1.07 -0.56 119.26 118.27 1dqe h ALA 73 Ca -0.07 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 1dqe h ALA 73 Cb 1.68 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 1dqe h ALA 73 CO 0.15 0.59 0.03 1.98 0.00 0.00 0.00 179.25 182.00 1dqe h MET 74 N 0.85 0.81 -0.52 0.00 1.85 -0.97 0.85 114.93 117.79 1dqe h MET 74 Ca 0.17 -0.24 -0.10 0.00 -0.61 0.00 0.00 59.70 58.92 1dqe h MET 74 Cb 0.40 -0.08 -0.02 0.00 0.43 0.00 0.00 31.60 32.33 1dqe h MET 74 CO 0.01 0.85 -0.08 1.49 -0.40 0.00 0.00 176.91 178.78 1dqe h GLU 75 N 0.66 0.94 0.23 0.39 4.81 -1.07 0.73 114.58 121.28 1dqe h GLU 75 Ca 0.14 -0.32 -0.01 0.00 -0.13 0.00 0.00 59.36 59.04 1dqe h GLU 75 Cb 0.47 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 1dqe h GLU 75 CO 0.02 0.98 -0.14 0.35 -0.73 0.00 0.00 179.01 179.49 1dqe h PHE 76 N 0.85 -0.35 -0.38 0.92 3.57 -0.92 -0.09 116.94 120.54 1dqe h PHE 76 Ca 0.14 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.69 1dqe h PHE 76 Cb 0.61 0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.43 1dqe h PHE 76 CO 0.04 -0.22 0.11 0.00 -2.23 0.00 0.00 178.31 176.01 1dqe h ALA 77 N 0.41 0.42 -0.40 2.41 0.00 -0.55 -2.23 119.26 119.33 1dqe h ALA 77 Ca -0.02 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1dqe h ALA 77 Cb 0.29 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1dqe h ALA 77 CO 0.03 -0.29 -0.05 0.87 0.00 0.00 0.00 179.25 179.80 1dqe h LYS 78 N 0.25 0.67 -0.04 0.00 1.57 -0.70 -1.15 116.57 117.17 1dqe h LYS 78 Ca 0.18 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 1dqe h LYS 78 Cb 0.18 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1dqe h LYS 78 CO -0.20 0.73 -0.24 -0.22 -0.57 0.00 0.00 179.45 178.95 1dqe h LYS 79 N 0.62 0.06 -0.47 3.15 3.64 -0.44 -1.90 116.57 121.24 1dqe h LYS 79 Ca 0.12 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1dqe h LYS 79 Cb 0.47 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1dqe h LYS 79 CO 0.02 0.30 0.00 0.72 -2.27 0.00 0.00 179.45 178.22 1dqe n HIS 80 N -4.23 1.41 0.00 1.91 8.25 -0.91 -4.94 115.22 116.71 1dqe n HIS 80 Ca -0.02 -0.73 0.00 0.00 -0.26 0.00 0.00 57.72 56.71 1dqe n HIS 80 Cb 0.31 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 31.08 1dqe n HIS 80 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dqe n GLY 81 N 0.36 0.76 3.75 -1.41 0.00 -0.71 -4.57 105.19 103.36 1dqe n GLY 81 Ca 0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 1dqe n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dqe s ALA 82 N -2.00 3.36 1.04 4.61 0.00 -0.46 -4.99 121.76 123.32 1dqe s ALA 82 Ca 0.00 0.74 -0.17 0.00 0.00 0.00 0.00 51.96 52.53 1dqe s ALA 82 Cb 0.00 -3.29 0.23 0.00 0.00 0.00 0.00 23.12 20.06 1dqe s ALA 82 CO 0.00 -0.03 1.25 0.16 0.00 0.00 0.00 175.76 177.14 1dqe s ASP 83 N -0.70 2.36 0.25 0.00 1.47 -1.26 -4.19 116.67 114.59 1dqe s ASP 83 Ca 0.45 0.39 -0.04 0.00 1.18 0.00 0.00 52.55 54.53 1dqe s ASP 83 Cb -0.28 -0.50 0.45 0.00 -0.34 0.00 0.00 42.92 42.25 1dqe s ASP 83 CO 0.35 -3.21 1.76 -0.33 0.68 0.00 0.00 175.17 174.42 1dqe h GLU 84 N -1.97 0.55 -0.06 2.11 5.08 -1.98 0.42 114.58 118.73 1dqe h GLU 84 Ca -0.45 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 57.79 1dqe h GLU 84 Cb 1.25 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1dqe h GLU 84 CO 0.37 0.37 -0.34 1.15 -1.00 0.00 0.00 179.01 179.56 1dqe h THR 85 N 0.57 1.43 -0.46 1.13 2.02 -1.99 -0.51 112.91 115.11 1dqe h THR 85 Ca 0.42 -1.76 -0.02 0.00 0.77 0.00 0.00 66.41 65.82 1dqe h THR 85 Cb 0.56 2.36 -0.02 0.00 -1.74 0.00 0.00 68.15 69.31 1dqe h THR 85 CO -0.35 0.50 0.20 -0.03 0.37 0.00 0.00 175.52 176.22 1dqe h MET 86 N -0.16 0.67 -0.51 6.66 1.85 -1.79 0.60 114.93 122.25 1dqe h MET 86 Ca -0.02 -0.11 0.05 0.00 -0.61 0.00 0.00 59.70 59.01 1dqe h MET 86 Cb 0.99 -0.11 -0.05 0.00 0.43 0.00 0.00 31.60 32.86 1dqe h MET 86 CO 0.07 0.59 0.25 0.00 -0.40 0.00 0.00 176.91 177.41 1dqe h ALA 87 N 1.05 0.64 -0.49 0.39 0.00 -0.15 -0.78 119.26 119.92 1dqe h ALA 87 Ca 0.15 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1dqe h ALA 87 Cb 0.15 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1dqe h ALA 87 CO -0.02 -0.11 -0.04 0.37 0.00 0.00 0.00 179.25 179.46 1dqe h GLN 88 N 0.48 0.85 -0.48 0.00 5.75 -0.75 -1.66 115.11 119.30 1dqe h GLN 88 Ca 0.23 -0.26 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1dqe h GLN 88 Cb 0.15 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.59 1dqe h GLN 88 CO -0.17 0.88 0.32 1.96 -2.65 0.00 0.00 178.83 179.17 1dqe h GLN 89 N 0.79 0.63 -0.96 1.69 4.20 -0.19 -0.10 115.11 121.17 1dqe h GLN 89 Ca 0.14 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.82 1dqe h GLN 89 Cb 0.53 -0.14 -0.05 0.00 0.30 0.00 0.00 27.48 28.12 1dqe h GLN 89 CO 0.03 0.41 0.63 -0.07 -0.67 0.00 0.00 178.83 179.16 1dqe h LEU 90 N 0.65 1.10 -0.45 1.46 3.38 -0.79 -1.67 115.31 119.00 1dqe h LEU 90 Ca 0.17 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1dqe h LEU 90 Cb -0.07 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.38 1dqe h LEU 90 CO -0.04 0.80 0.21 0.40 0.09 0.00 0.00 178.44 179.90 1dqe h ILE 91 N 1.30 1.19 -0.50 1.22 5.03 -0.88 -1.57 117.51 123.29 1dqe h ILE 91 Ca 0.35 -0.54 -0.02 0.00 -0.12 0.00 0.00 64.86 64.53 1dqe h ILE 91 Cb -0.14 0.72 -0.02 0.00 -3.03 0.00 0.00 36.82 34.34 1dqe h ILE 91 CO -0.07 0.20 0.22 0.44 -0.68 0.00 0.00 178.15 178.26 1dqe h ASP 92 N 0.58 0.63 -0.04 1.72 3.32 -0.89 0.41 116.42 122.15 1dqe h ASP 92 Ca 0.15 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 1dqe h ASP 92 Cb 0.13 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 1dqe h ASP 92 CO -0.02 0.56 0.01 0.40 -1.72 0.00 0.00 179.24 178.47 1dqe h ILE 93 N 0.70 1.21 -0.24 0.35 2.04 -0.54 -0.78 117.51 120.26 1dqe h ILE 93 Ca 0.17 -0.62 0.02 0.00 1.00 0.00 0.00 64.86 65.44 1dqe h ILE 93 Cb 0.11 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 1dqe h ILE 93 CO -0.02 0.17 0.08 0.58 0.00 0.00 0.00 178.15 178.96 1dqe h VAL 94 N -0.18 0.94 -0.73 1.67 2.07 -0.84 0.28 116.25 119.46 1dqe h VAL 94 Ca 0.01 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1dqe h VAL 94 Cb 0.26 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1dqe h VAL 94 CO 0.00 0.03 0.41 -0.74 0.02 0.00 0.00 177.57 177.30 1dqe h HIS 95 N 0.19 0.99 -0.82 1.57 -0.00 -0.14 0.51 115.15 117.46 1dqe h HIS 95 Ca 0.10 -0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.49 1dqe h HIS 95 Cb 0.07 -0.32 -0.05 0.00 -0.00 0.00 0.00 27.41 27.11 1dqe h HIS 95 CO -0.13 0.69 0.52 0.78 -0.00 0.00 0.00 177.93 179.79 1dqe h GLY 96 N 1.01 1.19 2.00 5.26 0.00 -0.88 -1.51 103.07 110.15 1dqe h GLY 96 Ca 0.26 -0.39 -0.10 0.00 0.00 0.00 0.00 47.33 47.09 1dqe h GLY 96 CO -0.04 0.32 -0.50 0.00 0.00 0.00 0.00 176.54 176.32 1dqe h GLU 98 N 0.00 0.36 0.00 0.00 5.08 0.08 -2.68 114.58 117.42 1dqe h GLU 98 Ca -0.00 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.11 1dqe h GLU 98 Cb 1.06 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 1dqe h GLU 98 CO 0.06 0.62 -0.99 0.87 -1.00 0.00 0.00 179.01 178.57 1dqe h LYS 99 N 0.32 0.00 0.00 2.33 1.57 -0.92 -3.38 116.57 116.49 1dqe h LYS 99 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1dqe h LYS 99 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1dqe h LYS 99 CO 0.05 0.29 -0.87 -1.13 -0.57 0.00 0.00 179.45 177.22 1dqe n SER 100 N -2.97 0.65 -4.90 0.86 3.41 -0.21 -4.88 113.62 105.58 1dqe n SER 100 Ca -0.04 -0.34 -0.32 0.00 -0.26 0.00 0.00 58.87 57.91 1dqe n SER 100 Cb 0.74 0.66 -0.05 0.00 -0.26 0.00 0.00 64.21 65.31 1dqe n SER 100 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1dqe s THR 101 N -3.11 5.29 0.12 6.66 -4.23 -1.01 -5.06 115.64 114.29 1dqe s THR 101 Ca 0.06 -0.11 -0.31 0.00 -1.18 0.00 0.00 61.69 60.15 1dqe s THR 101 Cb 0.15 -3.61 -0.10 0.00 1.34 0.00 0.00 72.50 70.28 1dqe s THR 101 CO 0.78 0.15 1.77 -2.16 -0.54 0.00 0.00 174.62 174.62 1dqe s PRO 102 N -2.41 4.15 0.18 3.99 0.04 -1.26 -4.95 135.00 134.74 1dqe s PRO 102 Ca 0.36 2.53 -0.29 0.00 0.04 0.00 0.00 61.00 63.63 1dqe s PRO 102 Cb -0.13 -3.54 -0.17 0.00 0.04 0.00 0.00 34.50 30.70 1dqe s PRO 102 CO 0.24 -0.80 0.61 0.00 0.04 0.00 0.00 177.00 177.09 1dqe n ALA 103 N 5.49 -2.81 -3.68 8.56 0.00 -1.26 -4.97 120.51 121.83 1dqe n ALA 103 Ca 0.17 0.45 -0.11 0.00 0.00 0.00 0.00 53.44 53.96 1dqe n ALA 103 Cb 0.38 -1.65 -0.11 0.00 0.00 0.00 0.00 19.45 18.08 1dqe n ALA 103 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1dqe s ASN 104 N -0.86 -0.50 0.43 0.00 3.04 -1.26 -5.03 114.94 110.75 1dqe s ASN 104 Ca 0.67 0.86 0.23 0.00 0.04 0.00 0.00 52.86 54.66 1dqe s ASN 104 Cb -0.95 0.75 0.52 0.00 -1.54 0.00 0.00 41.25 40.02 1dqe s ASN 104 CO 0.56 -0.19 1.66 0.44 -3.04 0.00 0.00 177.10 176.53 1dqe h ASP 105 N 7.05 0.00 -1.20 -4.21 3.32 -2.02 -3.38 116.42 115.98 1dqe h ASP 105 Ca -0.37 0.00 -0.41 0.00 0.02 0.00 0.00 57.03 56.28 1dqe h ASP 105 Cb 1.18 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.68 1dqe h ASP 105 CO 0.30 0.13 1.03 -0.62 -1.72 0.00 0.00 179.24 178.36 1dqe s ASP 106 N -6.18 5.46 0.38 6.45 -1.08 -1.26 -4.89 116.67 115.56 1dqe s ASP 106 Ca 0.05 -0.53 0.18 0.00 -0.52 0.00 0.00 52.55 51.73 1dqe s ASP 106 Cb 0.07 -2.55 1.13 0.00 -1.46 0.00 0.00 42.92 40.10 1dqe s ASP 106 CO 0.66 -2.40 1.72 0.11 0.52 0.00 0.00 175.17 175.78 1dqe h LYS 107 N 11.87 0.34 -0.55 4.34 1.57 -1.99 -1.62 116.57 130.52 1dqe h LYS 107 Ca -0.00 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 1dqe h LYS 107 Cb 1.05 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.26 1dqe h LYS 107 CO 1.25 0.23 0.08 0.00 -0.57 0.00 0.00 179.45 180.43 1dqe h ILE 109 N 0.82 1.44 -0.53 0.00 2.04 -1.70 -1.63 117.51 117.95 1dqe h ILE 109 Ca 0.17 -2.54 -0.12 0.00 1.00 0.00 0.00 64.86 63.37 1dqe h ILE 109 Cb 0.43 2.46 -0.02 0.00 -0.74 0.00 0.00 36.82 38.95 1dqe h ILE 109 CO 0.01 0.75 -0.14 -0.25 0.00 0.00 0.00 178.15 178.53 1dqe h TRP 110 N 0.17 1.15 -0.43 1.37 7.01 -1.25 -2.17 115.95 121.80 1dqe h TRP 110 Ca -0.07 -0.25 -0.04 0.00 2.11 0.00 0.00 58.89 60.64 1dqe h TRP 110 Cb 1.56 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 28.33 1dqe h TRP 110 CO 0.05 1.08 0.10 1.15 -2.79 0.00 0.00 178.44 178.02 1dqe h THR 111 N 0.89 1.23 -0.81 2.65 2.02 -0.85 -1.19 112.91 116.86 1dqe h THR 111 Ca 0.13 -0.81 0.19 0.00 0.77 0.00 0.00 66.41 66.69 1dqe h THR 111 Cb 0.71 0.94 -0.12 0.00 -1.74 0.00 0.00 68.15 67.94 1dqe h THR 111 CO 0.05 0.28 0.23 0.25 0.37 0.00 0.00 175.52 176.71 1dqe h LEU 112 N 0.56 0.07 -0.62 2.58 5.85 -1.23 0.24 115.31 122.76 1dqe h LEU 112 Ca 0.13 0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.99 1dqe h LEU 112 Cb 0.32 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1dqe h LEU 112 CO 0.00 -0.06 0.28 1.23 -0.34 0.00 0.00 178.44 179.55 1dqe h GLY 113 N 0.29 0.97 0.82 3.75 0.00 -0.69 0.27 103.07 108.49 1dqe h GLY 113 Ca 0.48 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 1dqe h GLY 113 CO -0.55 0.48 -0.07 -2.08 0.00 0.00 0.00 176.54 174.32 1dqe h VAL 114 N 0.86 0.95 -0.88 4.60 2.07 -0.61 -2.20 116.25 121.05 1dqe h VAL 114 Ca 0.21 -0.38 0.03 0.00 0.82 0.00 0.00 66.70 67.38 1dqe h VAL 114 Cb 0.16 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 1dqe h VAL 114 CO -0.02 0.09 0.57 0.00 0.02 0.00 0.00 177.57 178.23 1dqe h ALA 115 N 0.47 1.16 -0.35 1.67 0.00 -0.20 -0.76 119.26 121.25 1dqe h ALA 115 Ca -0.02 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1dqe h ALA 115 Cb 0.29 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1dqe h ALA 115 CO 0.03 0.43 -0.04 1.79 0.00 0.00 0.00 179.25 181.46 1dqe h THR 116 N 1.11 1.21 -0.26 0.00 1.35 -0.37 -1.78 112.91 114.17 1dqe h THR 116 Ca 0.35 -0.89 -0.12 0.00 -0.55 0.00 0.00 66.41 65.20 1dqe h THR 116 Cb -0.01 0.99 -0.00 0.00 -1.73 0.00 0.00 68.15 67.40 1dqe h THR 116 CO -0.11 0.30 -0.29 0.00 -0.25 0.00 0.00 175.52 175.16 1dqe h PHE 118 N 0.39 0.76 -0.15 0.00 3.57 -0.99 -2.12 116.94 118.40 1dqe h PHE 118 Ca 0.04 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 1dqe h PHE 118 Cb 0.87 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 1dqe h PHE 118 CO 0.08 0.36 0.03 -0.22 -2.23 0.00 0.00 178.31 176.32 1dqe h LYS 119 N 0.75 0.24 -0.94 1.11 3.64 -1.15 0.13 116.57 120.35 1dqe h LYS 119 Ca 0.33 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 1dqe h LYS 119 Cb 0.22 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.97 1dqe h LYS 119 CO -0.20 0.40 0.56 0.00 -2.27 0.00 0.00 179.45 177.95 1dqe h ALA 120 N 0.83 1.20 -0.27 5.00 0.00 -0.99 -0.12 119.26 124.90 1dqe h ALA 120 Ca 0.05 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1dqe h ALA 120 Cb 0.27 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1dqe h ALA 120 CO 0.00 0.66 -0.14 0.93 0.00 0.00 0.00 179.25 180.70 1dqe h GLU 121 N 1.30 0.46 -0.10 0.00 4.39 -0.66 -1.82 114.58 118.14 1dqe h GLU 121 Ca 0.34 -0.13 -0.18 0.00 0.34 0.00 0.00 59.36 59.72 1dqe h GLU 121 Cb -0.05 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.55 1dqe h GLU 121 CO -0.06 0.60 -0.69 0.82 -1.16 0.00 0.00 179.01 178.52 1dqe h ILE 122 N 0.43 1.36 -0.48 3.13 1.08 -0.20 -1.76 117.51 121.08 1dqe h ILE 122 Ca 0.08 -2.05 -0.00 0.00 -0.39 0.00 0.00 64.86 62.49 1dqe h ILE 122 Cb 0.50 2.03 -0.02 0.00 -3.07 0.00 0.00 36.82 36.26 1dqe h ILE 122 CO 0.03 0.62 0.29 0.45 -0.69 0.00 0.00 178.15 178.85 1dqe h HIS 123 N 0.31 0.63 -0.03 1.37 3.86 -0.81 -1.32 115.15 119.17 1dqe h HIS 123 Ca -0.02 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1dqe h HIS 123 Cb 1.25 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 29.51 1dqe h HIS 123 CO 0.04 0.44 0.02 0.87 0.86 0.00 0.00 177.93 180.16 1dqe h LYS 124 N 0.63 0.00 0.00 2.45 1.57 -1.01 -0.89 116.57 119.33 1dqe h LYS 124 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1dqe h LYS 124 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1dqe h LYS 124 CO -0.03 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.13 1dqe n LEU 125 N -4.47 0.00 -2.57 2.94 4.77 -0.69 -4.89 117.00 112.09 1dqe n LEU 125 Ca -0.02 0.28 -0.18 0.00 -0.03 0.00 0.00 56.01 56.05 1dqe n LEU 125 Cb 0.11 -0.28 0.04 0.00 -2.33 0.00 0.00 43.42 40.96 1dqe n LEU 125 CO 0.34 -0.00 0.03 -3.20 -1.33 0.00 0.00 177.39 173.23 1dqe n ASN 126 N -1.28 -5.34 -0.70 -1.43 4.05 -0.34 -4.91 115.26 105.32 1dqe n ASN 126 Ca 0.14 -0.27 0.08 0.00 0.45 0.00 0.00 54.58 54.99 1dqe n ASN 126 Cb 0.24 -4.14 0.10 0.00 1.23 0.00 0.00 39.78 37.20 1dqe n ASN 126 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 177.26 175.00 1dqe n TRP 127 N -4.33 0.12 -2.28 1.20 7.02 -0.54 -4.61 117.44 114.02 1dqe n TRP 127 Ca -0.08 -0.09 -0.42 0.00 -1.02 0.00 0.00 57.50 55.89 1dqe n TRP 127 Cb 0.59 -0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.45 1dqe n TRP 127 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1dqe s ALA 128 N -1.29 3.52 0.63 6.99 0.00 -1.23 -4.06 121.76 126.33 1dqe s ALA 128 Ca 0.22 0.94 -0.11 0.00 0.00 0.00 0.00 51.96 53.00 1dqe s ALA 128 Cb 0.14 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 1dqe s ALA 128 CO 0.21 -0.66 1.04 -1.25 0.00 0.00 0.00 175.76 175.10 1dqe s PRO 129 N 1.56 3.47 -0.46 0.00 0.04 -1.26 -4.90 135.00 133.45 1dqe s PRO 129 Ca 0.62 0.69 -0.21 0.00 0.04 0.00 0.00 61.00 62.15 1dqe s PRO 129 Cb -0.32 -2.07 0.03 0.00 0.04 0.00 0.00 34.50 32.17 1dqe s PRO 129 CO 0.28 -0.65 0.66 -1.54 0.04 0.00 0.00 177.00 175.80 1dqe s SER 130 N -4.21 6.31 0.01 6.66 1.04 -1.26 -4.86 113.70 117.39 1dqe s SER 130 Ca 0.55 -0.43 -0.17 0.00 0.48 0.00 0.00 55.95 56.38 1dqe s SER 130 Cb -0.11 -2.32 -0.06 0.00 0.10 0.00 0.00 66.02 63.63 1dqe s SER 130 CO 0.54 -0.83 0.48 -0.04 0.98 0.00 0.00 173.24 174.37 1dqe s MET 131 N 2.86 4.09 0.30 4.02 -1.94 -1.26 -4.95 119.30 122.42 1dqe s MET 131 Ca 0.22 0.54 0.24 0.00 -1.71 0.00 0.00 55.69 54.98 1dqe s MET 131 Cb -0.15 -3.26 0.38 0.00 2.01 0.00 0.00 34.83 33.82 1dqe s MET 131 CO 0.18 0.59 1.51 0.22 -0.01 0.00 0.00 175.02 177.51 1dqe h ASP 132 N 4.93 0.00 -3.81 3.03 1.82 -2.02 -3.46 116.42 116.91 1dqe h ASP 132 Ca -0.49 -0.03 -0.22 0.00 -0.39 0.00 0.00 57.03 55.90 1dqe h ASP 132 Cb 1.21 0.00 -0.27 0.00 0.68 0.00 0.00 39.33 40.95 1dqe h ASP 132 CO 0.64 0.01 -0.69 -0.69 -1.61 0.00 0.00 179.24 176.90 1dqe s VAL 133 N -3.21 0.01 0.49 2.25 1.01 -1.26 -5.15 120.40 114.53 1dqe s VAL 133 Ca 0.06 -0.05 -0.07 0.00 0.00 0.00 0.00 61.98 61.92 1dqe s VAL 133 Cb 0.09 -0.06 -0.04 0.00 0.00 0.00 0.00 36.38 36.36 1dqe s VAL 133 CO 0.68 -0.03 0.83 0.00 0.00 0.00 0.00 175.10 176.58 1dqe s ALA 134 N -0.08 3.34 0.15 5.51 0.00 -1.26 -4.97 121.76 124.45 1dqe s ALA 134 Ca -0.01 -0.36 -0.31 0.00 0.00 0.00 0.00 51.96 51.28 1dqe s ALA 134 Cb -0.01 -2.70 -0.10 0.00 0.00 0.00 0.00 23.12 20.31 1dqe s ALA 134 CO -0.00 -0.33 1.65 0.08 0.00 0.00 0.00 175.76 177.16 1dqe s VAL 135 N -2.73 2.58 0.00 0.00 1.01 -1.24 -1.93 120.40 118.08 1dqe s VAL 135 Ca 0.50 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.80 1dqe s VAL 135 Cb -0.10 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.07 1dqe s VAL 135 CO 0.43 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.16 1dqe n GLY 136 N 3.90 2.10 0.00 4.51 0.00 -1.25 -4.62 105.19 109.83 1dqe n GLY 136 Ca 0.15 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.32 1dqe n GLY 136 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11