#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qex s TRP 2 N 0.00 3.79 0.10 0.66 1.48 -1.26 -5.07 118.94 118.65 2qex s TRP 2 Ca 0.00 1.35 -0.18 0.00 -1.06 0.00 0.00 56.10 56.22 2qex s TRP 2 Cb 0.00 -2.56 -0.07 0.00 -1.16 0.00 0.00 33.47 29.68 2qex s TRP 2 CO 0.00 0.53 0.56 -0.51 -4.06 0.00 0.00 176.95 173.47 2qex s ASP 3 N -1.25 6.98 0.02 -2.66 1.01 -1.26 -5.03 116.67 114.48 2qex s ASP 3 Ca 0.33 1.20 -0.26 0.00 0.71 0.00 0.00 52.55 54.53 2qex s ASP 3 Cb -0.20 -2.34 -0.16 0.00 1.01 0.00 0.00 42.92 41.24 2qex s ASP 3 CO 0.21 0.21 1.21 0.58 0.21 0.00 0.00 175.17 177.59 2qex h VAL 4 N 3.26 0.35 -3.38 -1.27 2.07 -1.97 -3.42 116.25 111.89 2qex h VAL 4 Ca -0.49 -0.40 -0.59 0.00 0.82 0.00 0.00 66.70 66.03 2qex h VAL 4 Cb 1.21 0.48 -0.09 0.00 -1.52 0.00 0.00 31.29 31.36 2qex h VAL 4 CO 0.64 0.05 0.22 -0.63 0.02 0.00 0.00 177.57 177.87 2qex s ILE 5 N -4.79 4.97 -0.13 4.57 1.01 -1.26 -1.83 121.20 123.74 2qex s ILE 5 Ca -0.14 1.33 -0.07 0.00 0.00 0.00 0.00 60.65 61.77 2qex s ILE 5 Cb 0.02 -4.01 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 2qex s ILE 5 CO 0.49 0.07 -0.14 0.11 0.00 0.00 0.00 174.94 175.47 2qex h LYS 6 N 7.49 0.00 -2.21 2.79 1.57 -1.67 -3.49 116.57 121.05 2qex h LYS 6 Ca -0.30 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.61 2qex h LYS 6 Cb 1.13 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.30 2qex h LYS 6 CO 0.80 0.00 0.52 -3.38 -0.57 0.00 0.00 179.45 176.82 2qex s HIS 7 N -2.05 -0.31 0.25 -1.35 -3.43 -1.08 -5.03 115.29 102.28 2qex s HIS 7 Ca -0.11 0.16 -0.30 0.00 -0.80 0.00 0.00 55.06 54.02 2qex s HIS 7 Cb 0.02 0.55 -0.09 0.00 -1.43 0.00 0.00 32.58 31.62 2qex s HIS 7 CO 0.17 -0.54 1.19 -2.14 -2.00 0.00 0.00 174.74 171.42 2qex s PRO 8 N -3.07 4.51 -0.51 -0.38 0.02 -1.26 -0.60 135.00 133.71 2qex s PRO 8 Ca 0.06 1.93 -0.20 0.00 0.02 0.00 0.00 61.00 62.81 2qex s PRO 8 Cb -0.01 -3.18 0.05 0.00 0.02 0.00 0.00 34.50 31.38 2qex s PRO 8 CO -0.08 -0.01 0.68 -1.58 -0.33 0.00 0.00 177.00 175.68 2qex s HIS 9 N -0.65 3.00 -0.57 6.54 2.46 -0.54 -4.79 115.29 120.73 2qex s HIS 9 Ca 0.49 -0.41 -0.06 0.00 0.47 0.00 0.00 55.06 55.55 2qex s HIS 9 Cb -0.34 -3.62 0.15 0.00 -0.13 0.00 0.00 32.58 28.63 2qex s HIS 9 CO 0.42 -1.08 0.42 0.54 -2.47 0.00 0.00 174.74 172.56 2qex s VAL 10 N 2.88 4.02 0.26 0.89 0.11 -1.26 -4.60 120.40 122.71 2qex s VAL 10 Ca 0.18 -2.42 0.01 0.00 -2.93 0.00 0.00 61.98 56.83 2qex s VAL 10 Cb -0.18 -3.62 -0.05 0.00 -1.53 0.00 0.00 36.38 31.00 2qex s VAL 10 CO 0.14 -0.84 0.10 0.42 -3.33 0.00 0.00 175.10 171.59 2qex s THR 11 N 0.56 0.58 0.29 5.04 -4.23 -1.26 -5.02 115.64 111.60 2qex s THR 11 Ca 0.12 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.61 2qex s THR 11 Cb -0.21 -2.64 0.26 0.00 1.34 0.00 0.00 72.50 71.25 2qex s THR 11 CO -0.04 0.00 1.96 -0.33 -0.54 0.00 0.00 174.62 175.68 2qex h GLU 12 N 2.36 1.11 -0.26 3.99 5.08 -1.99 -0.72 114.58 124.15 2qex h GLU 12 Ca -0.38 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 57.80 2qex h GLU 12 Cb 1.25 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 2qex h GLU 12 CO 0.61 0.73 -0.32 -0.22 -1.00 0.00 0.00 179.01 178.81 2qex h LYS 13 N 1.14 0.55 0.00 2.33 3.64 -1.99 -2.18 116.57 120.07 2qex h LYS 13 Ca 0.31 -0.24 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 2qex h LYS 13 Cb -0.12 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 2qex h LYS 13 CO -0.07 0.80 -0.25 0.00 -2.27 0.00 0.00 179.45 177.66 2qex h ALA 14 N 1.19 1.18 0.12 5.00 0.00 -1.58 -2.63 119.26 122.54 2qex h ALA 14 Ca 0.06 -0.22 -0.28 0.00 0.00 0.00 0.00 54.91 54.47 2qex h ALA 14 Cb 0.78 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2qex h ALA 14 CO 0.06 0.31 -1.27 0.52 0.00 0.00 0.00 179.25 178.87 2qex h MET 15 N 0.00 0.26 -0.03 0.00 2.86 -0.75 -3.13 114.93 114.15 2qex h MET 15 Ca -0.00 -0.45 -0.00 0.00 -2.06 0.00 0.00 59.70 57.19 2qex h MET 15 Cb 0.61 0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.44 2qex h MET 15 CO 0.03 1.20 0.01 -0.91 1.06 0.00 0.00 176.91 178.30 2qex h ASN 16 N 0.07 0.04 -0.65 1.22 2.35 -1.12 0.91 115.58 118.39 2qex h ASN 16 Ca -0.14 -0.15 0.05 0.00 -0.55 0.00 0.00 56.30 55.50 2qex h ASN 16 Cb 1.97 -0.01 -0.04 0.00 0.05 0.00 0.00 38.32 40.30 2qex h ASN 16 CO 0.20 0.18 0.43 0.44 -1.65 0.00 0.00 177.43 177.03 2qex h ASP 17 N -0.11 0.61 0.10 5.81 5.19 -1.60 0.47 116.42 126.89 2qex h ASP 17 Ca 0.01 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.41 2qex h ASP 17 Cb 0.16 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.53 2qex h ASP 17 CO -0.00 0.40 -0.05 -0.03 -3.12 0.00 0.00 179.24 176.44 2qex h MET 18 N 0.70 -0.13 -0.18 3.56 4.05 -1.27 0.48 114.93 122.12 2qex h MET 18 Ca 0.28 0.01 -0.20 0.00 -0.28 0.00 0.00 59.70 59.50 2qex h MET 18 Cb 0.21 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.04 2qex h MET 18 CO -0.08 0.29 -0.69 -0.44 0.23 0.00 0.00 176.91 176.21 2qex h ASP 19 N -0.60 0.87 0.21 1.39 3.32 -0.59 -3.06 116.42 117.97 2qex h ASP 19 Ca -0.01 -0.53 -0.34 0.00 0.02 0.00 0.00 57.03 56.16 2qex h ASP 19 Cb 0.48 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 39.72 2qex h ASP 19 CO 0.02 1.32 -2.08 0.49 -1.72 0.00 0.00 179.24 177.27 2qex n PHE 20 N -3.94 0.53 -0.05 4.55 0.99 0.16 -4.66 117.46 115.04 2qex n PHE 20 Ca -0.06 0.17 0.00 0.00 -0.00 0.00 0.00 57.45 57.56 2qex n PHE 20 Cb 0.70 -1.09 0.00 0.00 -1.00 0.00 0.00 39.48 38.09 2qex n PHE 20 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 2qex n GLN 21 N -2.99 0.83 -3.45 -1.08 6.02 0.14 -5.02 117.38 111.84 2qex n GLN 21 Ca -0.28 -0.93 -0.20 0.00 -0.01 0.00 0.00 57.00 55.58 2qex n GLN 21 Cb 1.09 -0.98 0.08 0.00 1.02 0.00 0.00 30.24 31.45 2qex n GLN 21 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2qex n ASN 22 N -0.22 -4.69 -4.33 1.08 5.15 0.19 -4.81 115.26 107.63 2qex n ASN 22 Ca 0.00 -0.53 -0.31 0.00 -0.60 0.00 0.00 54.58 53.15 2qex n ASN 22 Cb 0.13 -4.74 -0.15 0.00 -0.53 0.00 0.00 39.78 34.48 2qex n ASN 22 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2qex s LYS 23 N -5.89 2.03 -0.11 1.20 1.02 -0.77 -0.97 119.74 116.25 2qex s LYS 23 Ca 0.36 -0.98 0.01 0.00 0.02 0.00 0.00 55.97 55.38 2qex s LYS 23 Cb -0.16 -2.03 -0.02 0.00 -0.52 0.00 0.00 37.83 35.10 2qex s LYS 23 CO 0.68 0.55 -0.14 -0.51 -0.92 0.00 0.00 175.35 175.00 2qex s LEU 24 N -0.81 2.66 -0.12 3.17 1.43 0.65 -2.83 118.68 122.83 2qex s LEU 24 Ca 0.11 -0.32 -0.06 0.00 -1.03 0.00 0.00 54.13 52.82 2qex s LEU 24 Cb -0.10 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 2qex s LEU 24 CO 0.00 0.20 0.11 -1.10 0.23 0.00 0.00 176.35 175.80 2qex s GLN 25 N 0.12 3.41 0.08 1.70 -0.21 -1.26 -1.12 119.66 122.38 2qex s GLN 25 Ca -0.07 -0.19 0.03 0.00 0.02 0.00 0.00 55.36 55.15 2qex s GLN 25 Cb -0.15 -3.13 -0.03 0.00 1.00 0.00 0.00 33.01 30.69 2qex s GLN 25 CO 0.05 0.73 -0.09 -0.06 -2.12 0.00 0.00 175.29 173.80 2qex s PHE 26 N -0.90 0.93 -0.35 0.91 0.40 -0.07 -1.47 117.98 117.43 2qex s PHE 26 Ca 0.14 -0.66 -0.11 0.00 -0.60 0.00 0.00 56.93 55.71 2qex s PHE 26 Cb -0.12 -0.52 0.01 0.00 0.51 0.00 0.00 43.02 42.90 2qex s PHE 26 CO 0.03 -0.05 0.19 0.00 0.70 0.00 0.00 175.22 176.09 2qex s ALA 27 N -2.33 3.29 0.54 5.36 0.00 0.24 -1.07 121.76 127.77 2qex s ALA 27 Ca 0.02 -1.58 0.02 0.00 0.00 0.00 0.00 51.96 50.42 2qex s ALA 27 Cb -0.04 -2.52 0.02 0.00 0.00 0.00 0.00 23.12 20.58 2qex s ALA 27 CO -0.01 -1.19 0.13 1.33 0.00 0.00 0.00 175.76 176.03 2qex n VAL 28 N 5.00 0.00 -2.69 0.00 0.24 0.31 -2.00 118.33 119.19 2qex n VAL 28 Ca -0.13 -2.40 -0.42 0.00 -2.04 0.00 0.00 64.34 59.35 2qex n VAL 28 Cb 0.47 0.34 -0.03 0.00 -1.47 0.00 0.00 33.84 33.15 2qex n VAL 28 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2qex s ASP 29 N -4.01 7.37 0.00 -1.34 -1.08 -0.76 -3.10 116.67 113.75 2qex s ASP 29 Ca 0.10 1.72 0.03 0.00 -0.52 0.00 0.00 52.55 53.88 2qex s ASP 29 Cb -0.01 -2.57 0.20 0.00 -1.46 0.00 0.00 42.92 39.08 2qex s ASP 29 CO 0.06 -0.24 0.54 -0.90 0.52 0.00 0.00 175.17 175.16 2qex n ASP 30 N 3.66 0.00 -0.01 -0.34 5.75 -1.26 -1.28 116.55 123.07 2qex n ASP 30 Ca 0.05 -0.47 0.08 0.00 -0.01 0.00 0.00 54.79 54.45 2qex n ASP 30 Cb 0.50 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.47 2qex n ASP 30 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2qex n ARG 31 N -0.68 0.89 -2.52 0.11 1.74 -1.26 -4.98 116.66 109.96 2qex n ARG 31 Ca 0.03 -0.10 -0.41 0.00 -0.77 0.00 0.00 57.85 56.59 2qex n ARG 31 Cb 0.01 -1.36 -0.04 0.00 -1.02 0.00 0.00 32.46 30.06 2qex n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qex s ALA 32 N -2.95 3.36 0.57 7.54 0.00 -0.40 -5.06 121.76 124.81 2qex s ALA 32 Ca -0.02 0.80 -0.01 0.00 0.00 0.00 0.00 51.96 52.72 2qex s ALA 32 Cb 0.11 -3.36 0.03 0.00 0.00 0.00 0.00 23.12 19.90 2qex s ALA 32 CO 0.69 -0.24 0.82 -1.54 0.00 0.00 0.00 175.76 175.50 2qex s SER 33 N 0.13 5.30 0.24 0.00 1.04 -1.26 -4.91 113.70 114.25 2qex s SER 33 Ca 0.51 0.21 -0.04 0.00 0.48 0.00 0.00 55.95 57.11 2qex s SER 33 Cb -0.29 -1.12 0.40 0.00 0.10 0.00 0.00 66.02 65.12 2qex s SER 33 CO 0.33 -1.16 1.81 0.11 0.98 0.00 0.00 173.24 175.31 2qex h LYS 34 N -0.05 0.77 -0.65 4.02 1.57 -1.97 -0.62 116.57 119.64 2qex h LYS 34 Ca -0.44 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.24 2qex h LYS 34 Cb 1.29 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 33.40 2qex h LYS 34 CO 0.56 0.51 0.17 0.78 -0.57 0.00 0.00 179.45 180.90 2qex h GLY 35 N 0.79 1.09 2.00 3.86 0.00 -1.98 -1.31 103.07 107.52 2qex h GLY 35 Ca 0.40 -0.65 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 2qex h GLY 35 CO -0.25 0.61 -0.30 0.83 0.00 0.00 0.00 176.54 177.43 2qex h GLU 36 N 0.97 0.00 0.02 4.80 5.08 -1.74 -2.84 114.58 120.88 2qex h GLU 36 Ca 0.21 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.38 2qex h GLU 36 Cb 0.32 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.59 2qex h GLU 36 CO -0.00 0.30 -0.75 0.28 -1.00 0.00 0.00 179.01 177.84 2qex h VAL 37 N 0.00 1.40 0.33 3.13 2.07 -0.58 -3.02 116.25 119.58 2qex h VAL 37 Ca -0.00 -2.19 -0.02 0.00 0.82 0.00 0.00 66.70 65.31 2qex h VAL 37 Cb 0.96 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 33.37 2qex h VAL 37 CO 0.04 0.64 -0.16 0.00 0.02 0.00 0.00 177.57 178.11 2qex h ALA 38 N 0.30 -0.44 -0.15 1.67 0.00 -1.23 -2.26 119.26 117.16 2qex h ALA 38 Ca -0.10 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.76 2qex h ALA 38 Cb 1.46 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 19.35 2qex h ALA 38 CO 0.15 -0.75 -0.39 -0.44 0.00 0.00 0.00 179.25 177.82 2qex h ASP 39 N -0.44 -1.23 -0.99 0.00 3.32 -1.62 -1.70 116.42 113.77 2qex h ASP 39 Ca -0.04 0.17 0.12 0.00 0.02 0.00 0.00 57.03 57.29 2qex h ASP 39 Cb 0.34 0.51 -0.08 0.00 0.22 0.00 0.00 39.33 40.32 2qex h ASP 39 CO 0.07 -0.40 0.62 0.00 -1.72 0.00 0.00 179.24 177.81 2qex h ALA 40 N 0.23 1.56 -0.30 3.45 0.00 -1.46 -1.55 119.26 121.18 2qex h ALA 40 Ca 0.09 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2qex h ALA 40 Cb 0.60 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2qex h ALA 40 CO -0.40 0.20 0.13 0.28 0.00 0.00 0.00 179.25 179.47 2qex h VAL 41 N 0.97 1.16 -0.39 0.00 2.07 -0.72 -1.43 116.25 117.91 2qex h VAL 41 Ca 0.48 -0.48 -0.06 0.00 0.82 0.00 0.00 66.70 67.47 2qex h VAL 41 Cb 0.49 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 2qex h VAL 41 CO -0.25 0.17 0.00 -0.33 0.02 0.00 0.00 177.57 177.18 2qex h GLU 42 N 0.34 0.62 0.00 1.57 5.08 -0.50 -1.77 114.58 119.92 2qex h GLU 42 Ca 0.10 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 2qex h GLU 42 Cb 0.14 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2qex h GLU 42 CO -0.01 0.64 -0.20 0.93 -1.00 0.00 0.00 179.01 179.37 2qex h GLU 43 N 0.59 0.00 -0.00 2.33 5.08 -1.12 0.23 114.58 121.69 2qex h GLU 43 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2qex h GLU 43 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2qex h GLU 43 CO 0.01 0.20 -0.80 1.04 -1.00 0.00 0.00 179.01 178.46 2qex n GLN 44 N -3.17 0.10 0.00 2.33 1.13 -0.56 -4.57 117.38 112.64 2qex n GLN 44 Ca 0.03 -0.07 0.00 0.00 -1.94 0.00 0.00 57.00 55.01 2qex n GLN 44 Cb 0.58 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.43 2qex n GLN 44 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2qex n TYR 45 N -1.39 0.00 -3.15 1.08 4.02 -0.70 -5.08 117.16 111.95 2qex n TYR 45 Ca 0.05 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.91 2qex n TYR 45 Cb 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.66 2qex n TYR 45 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 2qex n ASP 46 N -0.12 -7.43 -3.64 7.72 -0.08 0.81 -5.04 116.55 108.77 2qex n ASP 46 Ca 0.00 -0.19 -0.14 0.00 -1.51 0.00 0.00 54.79 52.95 2qex n ASP 46 Cb 0.00 -4.87 -0.07 0.00 2.34 0.00 0.00 41.12 38.53 2qex n ASP 46 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 2qex s VAL 47 N -3.00 0.00 -0.22 5.18 -7.23 -1.25 -5.09 120.40 108.79 2qex s VAL 47 Ca 0.01 -1.77 -0.05 0.00 -1.81 0.00 0.00 61.98 58.36 2qex s VAL 47 Cb -0.00 -2.50 -0.01 0.00 0.56 0.00 0.00 36.38 34.42 2qex s VAL 47 CO 0.77 0.00 -0.01 -0.89 -0.31 0.00 0.00 175.10 174.65 2qex s THR 48 N -3.59 3.64 -0.07 5.32 2.01 -1.26 -4.63 115.64 117.07 2qex s THR 48 Ca 0.34 -0.40 -0.18 0.00 0.31 0.00 0.00 61.69 61.75 2qex s THR 48 Cb 0.02 -2.67 -0.05 0.00 0.01 0.00 0.00 72.50 69.82 2qex s THR 48 CO 0.18 0.41 0.49 -0.69 -0.69 0.00 0.00 174.62 174.32 2qex s VAL 49 N 1.44 5.09 -0.24 3.82 1.01 -1.26 -1.92 120.40 128.34 2qex s VAL 49 Ca 0.05 1.00 -0.13 0.00 0.00 0.00 0.00 61.98 62.90 2qex s VAL 49 Cb -0.14 -3.82 -0.10 0.00 0.00 0.00 0.00 36.38 32.31 2qex s VAL 49 CO -0.01 0.40 -0.33 -0.62 0.00 0.00 0.00 175.10 174.54 2qex n GLU 50 N 3.10 0.53 -3.87 2.72 -0.58 -0.60 -4.93 120.64 117.01 2qex n GLU 50 Ca -0.08 0.23 -0.11 0.00 -0.42 0.00 0.00 57.16 56.77 2qex n GLU 50 Cb 0.52 -1.39 -0.11 0.00 -0.57 0.00 0.00 31.44 29.89 2qex n GLU 50 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 2qex s GLN 51 N -2.51 0.38 0.02 3.49 0.74 -1.22 -5.03 119.66 115.53 2qex s GLN 51 Ca -0.34 -0.27 0.05 0.00 0.05 0.00 0.00 55.36 54.85 2qex s GLN 51 Cb 0.12 0.16 -0.02 0.00 1.10 0.00 0.00 33.01 34.37 2qex s GLN 51 CO 0.44 -0.08 -0.15 0.08 -0.55 0.00 0.00 175.29 175.02 2qex s VAL 52 N -1.01 1.21 -0.02 1.34 1.01 -1.26 -0.55 120.40 121.11 2qex s VAL 52 Ca -0.11 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.02 2qex s VAL 52 Cb -0.06 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.27 2qex s VAL 52 CO 0.01 0.17 -0.07 0.20 0.00 0.00 0.00 175.10 175.40 2qex s ASN 53 N -0.82 0.97 0.23 3.32 0.01 -1.05 -4.96 114.94 112.64 2qex s ASN 53 Ca 0.04 -0.15 0.11 0.00 -0.71 0.00 0.00 52.86 52.16 2qex s ASN 53 Cb -0.07 -0.26 -0.05 0.00 0.41 0.00 0.00 41.25 41.28 2qex s ASN 53 CO 0.01 0.04 -0.22 0.42 -1.51 0.00 0.00 177.10 175.84 2qex s THR 54 N 0.23 2.35 -0.13 1.60 -4.23 -1.26 -0.24 115.64 113.97 2qex s THR 54 Ca -0.03 -2.19 -0.09 0.00 -1.18 0.00 0.00 61.69 58.20 2qex s THR 54 Cb -0.08 -2.18 0.04 0.00 1.34 0.00 0.00 72.50 71.62 2qex s THR 54 CO 0.00 -0.26 0.32 -1.58 -0.54 0.00 0.00 174.62 172.56 2qex s GLN 55 N -3.06 0.34 -0.96 3.99 0.74 -0.43 -4.99 119.66 115.30 2qex s GLN 55 Ca 0.24 0.53 -0.14 0.00 0.05 0.00 0.00 55.36 56.04 2qex s GLN 55 Cb -0.06 0.08 0.21 0.00 1.10 0.00 0.00 33.01 34.33 2qex s GLN 55 CO 0.12 -0.09 1.01 -0.80 -0.55 0.00 0.00 175.29 174.97 2qex s ASN 56 N 0.64 6.89 0.87 6.67 0.01 -1.26 -0.13 114.94 128.63 2qex s ASN 56 Ca -0.04 -2.77 -0.13 0.00 -0.71 0.00 0.00 52.86 49.22 2qex s ASN 56 Cb -0.05 -2.28 0.07 0.00 0.41 0.00 0.00 41.25 39.40 2qex s ASN 56 CO -0.04 -0.65 0.85 0.41 -1.51 0.00 0.00 177.10 176.17 2qex n THR 57 N 4.14 0.88 0.90 1.60 -1.04 -0.43 -4.87 114.28 115.46 2qex n THR 57 Ca 0.21 -0.18 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 2qex n THR 57 Cb 0.45 -0.91 0.00 0.00 -1.82 0.00 0.00 70.33 68.05 2qex n THR 57 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 2qex n MET 58 N -2.69 0.90 -0.08 -2.82 2.81 -1.26 -2.98 117.12 111.00 2qex n MET 58 Ca 0.11 0.00 0.08 0.00 -1.81 0.00 0.00 57.70 56.08 2qex n MET 58 Cb 0.52 -1.25 0.12 0.00 -0.71 0.00 0.00 33.22 31.89 2qex n MET 58 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2qex n ASP 59 N 0.29 2.18 0.00 7.83 10.43 -1.26 -4.97 116.55 131.05 2qex n ASP 59 Ca 0.00 -2.89 0.00 0.00 2.57 0.00 0.00 54.79 54.47 2qex n ASP 59 Cb 0.34 -0.36 0.00 0.00 1.84 0.00 0.00 41.12 42.93 2qex n ASP 59 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2qex n GLY 60 N -1.25 0.33 3.45 0.44 0.00 -1.16 -4.99 105.19 102.01 2qex n GLY 60 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 2qex n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qex s GLU 61 N -0.80 1.62 -0.17 1.61 2.02 -1.26 -4.90 118.70 116.82 2qex s GLU 61 Ca 0.00 -1.88 -0.07 0.00 0.02 0.00 0.00 54.97 53.05 2qex s GLU 61 Cb 0.00 -1.00 -0.04 0.00 0.10 0.00 0.00 34.13 33.20 2qex s GLU 61 CO 0.00 -0.10 0.05 0.21 0.02 0.00 0.00 175.26 175.43 2qex s LYS 62 N -3.83 3.88 -0.21 1.61 2.20 -1.18 -1.32 119.74 120.90 2qex s LYS 62 Ca 0.34 -0.37 -0.08 0.00 -0.36 0.00 0.00 55.97 55.50 2qex s LYS 62 Cb 0.07 -3.15 -0.04 0.00 -1.51 0.00 0.00 37.83 33.20 2qex s LYS 62 CO 0.14 0.30 0.08 0.21 -0.36 0.00 0.00 175.35 175.72 2qex s LYS 63 N 0.27 3.88 -0.13 4.03 2.20 0.82 -0.53 119.74 130.28 2qex s LYS 63 Ca 0.03 -0.38 0.01 0.00 -0.36 0.00 0.00 55.97 55.27 2qex s LYS 63 Cb -0.13 -3.29 -0.00 0.00 -1.51 0.00 0.00 37.83 32.90 2qex s LYS 63 CO 0.01 0.10 -0.17 0.00 -0.36 0.00 0.00 175.35 174.93 2qex s ALA 64 N 0.86 2.45 -0.72 3.13 0.00 -0.24 -1.31 121.76 125.93 2qex s ALA 64 Ca 0.04 -0.98 -0.10 0.00 0.00 0.00 0.00 51.96 50.92 2qex s ALA 64 Cb -0.14 -1.12 0.19 0.00 0.00 0.00 0.00 23.12 22.06 2qex s ALA 64 CO 0.03 0.12 0.61 0.08 0.00 0.00 0.00 175.76 176.60 2qex s VAL 65 N 0.57 4.79 -0.29 0.00 1.01 0.67 -0.90 120.40 126.26 2qex s VAL 65 Ca -0.10 -2.59 -0.25 0.00 0.00 0.00 0.00 61.98 59.04 2qex s VAL 65 Cb -0.16 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.20 2qex s VAL 65 CO 0.04 -0.95 0.86 -0.69 0.00 0.00 0.00 175.10 174.35 2qex s VAL 66 N 0.19 4.75 -0.25 2.92 1.01 -0.28 -2.52 120.40 126.23 2qex s VAL 66 Ca 0.16 1.43 -0.16 0.00 0.00 0.00 0.00 61.98 63.41 2qex s VAL 66 Cb -0.16 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.00 2qex s VAL 66 CO -0.06 -0.23 0.45 -0.60 0.00 0.00 0.00 175.10 174.65 2qex s ARG 67 N 3.05 4.07 0.53 2.72 3.52 0.28 -0.25 118.95 132.88 2qex s ARG 67 Ca 0.36 0.21 -0.07 0.00 -0.13 0.00 0.00 55.73 56.09 2qex s ARG 67 Cb -0.14 -3.63 -0.04 0.00 -1.56 0.00 0.00 34.95 29.58 2qex s ARG 67 CO 0.11 -0.27 0.87 -0.51 -0.81 0.00 0.00 175.30 174.70 2qex s LEU 68 N 2.04 3.48 0.86 -0.88 1.43 -0.14 -1.56 118.68 123.92 2qex s LEU 68 Ca 0.19 1.11 -0.13 0.00 -1.03 0.00 0.00 54.13 54.26 2qex s LEU 68 Cb -0.16 -4.10 0.12 0.00 0.03 0.00 0.00 46.19 42.09 2qex s LEU 68 CO 0.09 -0.68 1.23 -0.94 0.23 0.00 0.00 176.35 176.28 2qex s SER 69 N -4.13 4.04 0.37 2.29 1.04 -0.81 -4.75 113.70 111.74 2qex s SER 69 Ca 0.50 0.60 0.27 0.00 0.48 0.00 0.00 55.95 57.81 2qex s SER 69 Cb -0.11 -0.94 1.12 0.00 0.10 0.00 0.00 66.02 66.19 2qex s SER 69 CO 0.48 -2.19 1.82 -0.33 0.98 0.00 0.00 173.24 174.00 2qex h GLU 70 N -1.25 0.00 -0.22 4.02 5.08 -1.97 -2.27 114.58 117.96 2qex h GLU 70 Ca -0.45 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.79 2qex h GLU 70 Cb 1.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 2qex h GLU 70 CO 0.57 0.00 -0.33 0.22 -1.00 0.00 0.00 179.01 178.46 2qex h ASP 71 N 0.00 0.48 -1.42 1.42 -0.00 -1.95 -3.45 116.42 111.51 2qex h ASP 71 Ca 0.00 -0.19 -0.48 0.00 -0.00 0.00 0.00 57.03 56.36 2qex h ASP 71 Cb 0.43 -0.13 -0.02 0.00 -0.00 0.00 0.00 39.33 39.61 2qex h ASP 71 CO 0.00 0.79 -0.34 -1.81 -0.00 0.00 0.00 179.24 177.88 2qex s ASP 72 N -6.84 5.14 -0.19 2.28 1.01 -0.85 -5.09 116.67 112.13 2qex s ASP 72 Ca -0.07 -0.72 -0.02 0.00 0.71 0.00 0.00 52.55 52.46 2qex s ASP 72 Cb 0.13 -0.49 0.05 0.00 1.01 0.00 0.00 42.92 43.62 2qex s ASP 72 CO 0.80 -0.73 -0.00 -0.62 0.21 0.00 0.00 175.17 174.83 2qex s ASP 73 N -4.20 3.02 0.17 0.27 -1.08 -1.26 -4.74 116.67 108.85 2qex s ASP 73 Ca 0.49 -0.83 -0.16 0.00 -0.52 0.00 0.00 52.55 51.53 2qex s ASP 73 Cb -0.04 -0.77 0.11 0.00 -1.46 0.00 0.00 42.92 40.76 2qex s ASP 73 CO 0.29 -0.26 1.69 0.00 0.52 0.00 0.00 175.17 177.41 2qex h ALA 74 N 8.17 0.37 -0.84 3.66 0.00 -1.84 -2.08 119.26 126.68 2qex h ALA 74 Ca -0.18 0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.93 2qex h ALA 74 Cb 1.11 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 19.05 2qex h ALA 74 CO 0.36 -0.40 0.55 1.96 0.00 0.00 0.00 179.25 181.72 2qex h GLN 75 N 0.10 0.85 -0.12 0.00 4.20 -1.94 -1.90 115.11 116.30 2qex h GLN 75 Ca 0.20 -0.05 -0.14 0.00 0.06 0.00 0.00 58.65 58.71 2qex h GLN 75 Cb 0.29 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 2qex h GLN 75 CO -0.34 0.56 -0.55 0.93 -0.67 0.00 0.00 178.83 178.77 2qex h GLU 76 N 0.88 0.36 0.35 1.46 5.08 -1.81 -2.75 114.58 118.15 2qex h GLU 76 Ca 0.38 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 2qex h GLU 76 Cb 0.31 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2qex h GLU 76 CO -0.14 0.82 -0.17 0.28 -1.00 0.00 0.00 179.01 178.80 2qex h VAL 77 N 0.28 0.00 -0.58 3.13 2.07 -0.98 -3.26 116.25 116.91 2qex h VAL 77 Ca 0.00 -0.40 0.17 0.00 0.82 0.00 0.00 66.70 67.29 2qex h VAL 77 Cb 1.05 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 2qex h VAL 77 CO 0.09 0.00 0.42 0.00 0.02 0.00 0.00 177.57 178.10 2qex h ALA 78 N -1.39 2.54 0.00 1.67 0.00 -1.51 0.03 119.26 120.60 2qex h ALA 78 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2qex h ALA 78 Cb 0.36 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2qex h ALA 78 CO 0.08 -0.70 0.00 -1.13 0.00 0.00 0.00 179.25 177.49 2qex n SER 79 N -4.37 0.00 0.09 0.00 3.41 -1.04 -3.43 113.62 108.29 2qex n SER 79 Ca 0.11 0.12 0.11 0.00 -0.26 0.00 0.00 58.87 58.95 2qex n SER 79 Cb 0.65 -0.36 -0.01 0.00 -0.26 0.00 0.00 64.21 64.23 2qex n SER 79 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2qex n ARG 80 N -1.36 0.60 0.00 4.33 1.85 -0.00 -5.08 116.66 117.01 2qex n ARG 80 Ca 0.10 0.10 0.00 0.00 -1.00 0.00 0.00 57.85 57.04 2qex n ARG 80 Cb 0.23 -1.80 0.00 0.00 -1.05 0.00 0.00 32.46 29.84 2qex n ARG 80 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06