#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qex s ARG 8 N 0.00 0.16 -0.16 5.31 1.70 -0.83 -4.98 118.95 120.15 2qex s ARG 8 Ca 0.00 -0.08 -0.05 0.00 -0.47 0.00 0.00 55.73 55.12 2qex s ARG 8 Cb 0.00 0.06 -0.04 0.00 -0.57 0.00 0.00 34.95 34.41 2qex s ARG 8 CO 0.00 -0.07 0.03 0.08 -1.08 0.00 0.00 175.30 174.25 2qex s VAL 9 N -2.19 4.48 0.12 4.99 1.01 -1.26 -1.72 120.40 125.83 2qex s VAL 9 Ca 0.13 -0.15 0.05 0.00 0.00 0.00 0.00 61.98 62.01 2qex s VAL 9 Cb 0.04 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 2qex s VAL 9 CO -0.05 0.50 -0.12 -0.69 0.00 0.00 0.00 175.10 174.75 2qex s VAL 10 N 0.10 1.15 -0.34 2.92 1.01 0.60 -4.96 120.40 120.88 2qex s VAL 10 Ca 0.03 -1.74 -0.06 0.00 0.00 0.00 0.00 61.98 60.21 2qex s VAL 10 Cb -0.13 -1.51 0.04 0.00 0.00 0.00 0.00 36.38 34.78 2qex s VAL 10 CO 0.01 -0.53 0.10 -0.89 0.00 0.00 0.00 175.10 173.80 2qex s THR 11 N -2.45 3.71 -0.30 3.92 2.01 -1.26 -0.05 115.64 121.21 2qex s THR 11 Ca 0.09 -1.18 -0.18 0.00 0.31 0.00 0.00 61.69 60.73 2qex s THR 11 Cb -0.03 -3.11 -0.02 0.00 0.01 0.00 0.00 72.50 69.35 2qex s THR 11 CO 0.01 -0.19 0.51 -0.63 -0.69 0.00 0.00 174.62 173.64 2qex s ILE 12 N 1.38 5.04 -0.04 1.82 -1.09 -0.16 -4.92 121.20 123.23 2qex s ILE 12 Ca -0.02 0.62 -0.30 0.00 -2.23 0.00 0.00 60.65 58.72 2qex s ILE 12 Cb -0.20 -3.89 -0.03 0.00 -1.58 0.00 0.00 42.46 36.77 2qex s ILE 12 CO 0.02 -0.06 1.04 -2.16 -1.23 0.00 0.00 174.94 172.56 2qex s PRO 13 N 2.35 4.46 -0.39 2.79 0.04 -1.26 -2.27 135.00 140.73 2qex s PRO 13 Ca 0.20 1.48 0.05 0.00 0.04 0.00 0.00 61.00 62.77 2qex s PRO 13 Cb -0.15 -3.49 0.47 0.00 0.04 0.00 0.00 34.50 31.36 2qex s PRO 13 CO 0.11 -0.23 1.46 1.28 0.04 0.00 0.00 177.00 179.66 2qex n LEU 14 N 4.52 5.46 0.19 -3.56 4.77 0.82 -4.68 117.00 124.53 2qex n LEU 14 Ca 0.08 -4.44 0.12 0.00 -0.03 0.00 0.00 56.01 51.73 2qex n LEU 14 Cb 0.49 -0.56 0.13 0.00 -2.33 0.00 0.00 43.42 41.15 2qex n LEU 14 CO 0.53 1.78 0.63 0.08 -1.33 0.00 0.00 177.39 179.08 2qex h ARG 15 N 1.89 0.00 0.00 3.23 0.11 -1.93 -3.28 114.38 114.40 2qex h ARG 15 Ca 0.40 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.48 2qex h ARG 15 Cb 1.37 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.45 2qex h ARG 15 CO 0.89 0.02 0.00 -0.25 0.10 0.00 0.00 179.97 180.73 2qex n ASP 16 N -3.02 0.00 -0.59 0.08 9.92 -1.26 -3.12 116.55 118.57 2qex n ASP 16 Ca 0.03 -1.60 0.13 0.00 -0.53 0.00 0.00 54.79 52.82 2qex n ASP 16 Cb 0.54 0.00 0.38 0.00 -0.64 0.00 0.00 41.12 41.40 2qex n ASP 16 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2qex n ALA 17 N -0.68 2.63 0.75 2.24 0.00 -1.24 -3.85 120.51 120.35 2qex n ALA 17 Ca 0.09 -0.51 0.13 0.00 0.00 0.00 0.00 53.44 53.14 2qex n ALA 17 Cb 0.04 -1.06 0.42 0.00 0.00 0.00 0.00 19.45 18.86 2qex n ALA 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qex n ARG 18 N 0.40 0.18 0.19 0.00 1.74 -1.18 -3.17 116.66 114.82 2qex n ARG 18 Ca 0.17 0.12 0.13 0.00 -0.77 0.00 0.00 57.85 57.50 2qex n ARG 18 Cb 0.42 -1.68 0.27 0.00 -1.02 0.00 0.00 32.46 30.45 2qex n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qex h ALA 19 N 2.68 1.00 -2.58 7.54 0.00 -1.83 -3.44 119.26 122.63 2qex h ALA 19 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 2qex h ALA 19 Cb 0.66 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 2qex h ALA 19 CO 0.00 0.00 -0.11 -2.00 0.00 0.00 0.00 179.25 177.14 2qex s GLU 20 N -3.21 3.90 0.13 0.00 2.56 -1.19 -5.01 118.70 115.87 2qex s GLU 20 Ca 0.07 0.38 -0.35 0.00 0.00 0.00 0.00 54.97 55.08 2qex s GLU 20 Cb 0.07 -2.85 -0.16 0.00 2.00 0.00 0.00 34.13 33.19 2qex s GLU 20 CO 0.64 0.44 1.21 -0.35 -0.56 0.00 0.00 175.26 176.63 2qex n PRO 21 N 0.51 1.07 -0.37 4.30 -0.04 -1.26 -4.84 135.00 134.37 2qex n PRO 21 Ca -0.04 0.38 0.01 0.00 -0.04 0.00 0.00 63.50 63.81 2qex n PRO 21 Cb 0.52 -1.92 0.06 0.00 -0.04 0.00 0.00 33.50 32.12 2qex n PRO 21 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2qex n ASN 22 N 2.18 -0.57 0.00 3.54 3.02 -1.26 -1.30 115.26 120.86 2qex n ASN 22 Ca 0.17 1.72 0.01 0.00 -0.03 0.00 0.00 54.58 56.44 2qex n ASN 22 Cb 0.22 -0.42 0.08 0.00 -0.61 0.00 0.00 39.78 39.04 2qex n ASN 22 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qex n HIS 23 N -5.49 0.00 -2.35 3.10 1.44 -1.26 -2.69 115.22 107.97 2qex n HIS 23 Ca 0.11 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.86 2qex n HIS 23 Cb 0.42 0.00 0.04 0.00 0.12 0.00 0.00 29.99 30.57 2qex n HIS 23 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2qex n LYS 24 N -0.75 0.19 -0.09 -1.40 5.02 -0.42 -4.50 118.16 116.21 2qex n LYS 24 Ca 0.02 -2.08 -0.04 0.00 -2.02 0.00 0.00 58.31 54.19 2qex n LYS 24 Cb 0.01 -0.24 0.18 0.00 -0.02 0.00 0.00 35.03 34.96 2qex n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qex h ARG 25 N 0.91 0.75 -0.85 1.97 3.08 -1.14 -3.11 114.38 116.00 2qex h ARG 25 Ca -0.18 -0.20 0.09 0.00 0.07 0.00 0.00 59.98 59.76 2qex h ARG 25 Cb 1.75 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 31.64 2qex h ARG 25 CO 0.08 0.77 0.49 0.00 -1.07 0.00 0.00 179.97 180.24 2qex h ALA 26 N 1.29 1.21 0.35 0.04 0.00 -1.55 0.91 119.26 121.51 2qex h ALA 26 Ca 0.14 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2qex h ALA 26 Cb 0.44 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2qex h ALA 26 CO 0.02 0.13 -0.17 -0.44 0.00 0.00 0.00 179.25 178.79 2qex h ASP 27 N 0.83 -0.39 -0.38 0.00 3.45 -1.82 -2.05 116.42 116.06 2qex h ASP 27 Ca 0.41 -0.09 -0.04 0.00 0.43 0.00 0.00 57.03 57.74 2qex h ASP 27 Cb 0.36 0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 39.21 2qex h ASP 27 CO -0.24 -0.15 0.12 0.50 -1.57 0.00 0.00 179.24 177.90 2qex h LYS 28 N -0.63 0.66 0.17 3.56 1.63 -1.48 -2.45 116.57 118.02 2qex h LYS 28 Ca -0.05 -0.11 -0.00 0.00 -0.85 0.00 0.00 60.65 59.64 2qex h LYS 28 Cb 0.46 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.97 2qex h LYS 28 CO 0.08 0.59 -0.13 0.00 -3.45 0.00 0.00 179.45 176.54 2qex h ALA 29 N 1.49 -0.29 -0.94 5.00 0.00 -0.71 0.26 119.26 124.07 2qex h ALA 29 Ca 0.15 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.15 2qex h ALA 29 Cb 0.22 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 2qex h ALA 29 CO -0.01 -0.68 0.60 1.98 0.00 0.00 0.00 179.25 181.14 2qex h MET 30 N -0.31 0.77 -0.24 0.00 1.85 -0.98 -0.80 114.93 115.22 2qex h MET 30 Ca -0.01 -0.05 -0.11 0.00 -0.61 0.00 0.00 59.70 58.93 2qex h MET 30 Cb 0.28 -0.17 -0.00 0.00 0.43 0.00 0.00 31.60 32.13 2qex h MET 30 CO -0.01 0.51 -0.26 0.82 -0.40 0.00 0.00 176.91 177.57 2qex h ILE 31 N 0.80 1.32 -0.71 1.77 2.04 -0.96 -3.23 117.51 118.54 2qex h ILE 31 Ca 0.47 -1.44 0.13 0.00 1.00 0.00 0.00 64.86 65.03 2qex h ILE 31 Cb 0.66 1.71 -0.09 0.00 -0.74 0.00 0.00 36.82 38.35 2qex h ILE 31 CO -0.24 0.45 0.24 -0.07 0.00 0.00 0.00 178.15 178.53 2qex h LEU 32 N 0.30 0.17 0.41 1.44 3.38 0.53 -2.43 115.31 119.10 2qex h LEU 32 Ca 0.03 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2qex h LEU 32 Cb 0.83 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 2qex h LEU 32 CO 0.06 0.06 -0.40 0.40 0.09 0.00 0.00 178.44 178.66 2qex h ILE 33 N 0.37 0.20 -1.00 1.22 2.04 -1.49 -1.02 117.51 117.82 2qex h ILE 33 Ca 0.38 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.44 2qex h ILE 33 Cb 0.58 0.20 -0.11 0.00 -0.74 0.00 0.00 36.82 36.75 2qex h ILE 33 CO -0.41 0.00 0.61 -0.09 0.00 0.00 0.00 178.15 178.26 2qex h ARG 34 N -0.82 0.71 -0.11 2.37 2.43 -1.52 0.20 114.38 117.63 2qex h ARG 34 Ca -0.04 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 58.99 2qex h ARG 34 Cb 0.73 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 2qex h ARG 34 CO -0.06 0.47 -0.39 0.93 -1.51 0.00 0.00 179.97 179.41 2qex h GLU 35 N 0.73 0.24 0.13 0.20 5.08 -0.93 -1.15 114.58 118.88 2qex h GLU 35 Ca 0.59 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.84 2qex h GLU 35 Cb 0.96 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2qex h GLU 35 CO -0.40 0.60 -0.06 1.25 -1.00 0.00 0.00 179.01 179.40 2qex h HIS 36 N 0.20 -0.16 -0.50 4.33 2.76 0.61 -2.76 115.15 119.64 2qex h HIS 36 Ca 0.02 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.19 2qex h HIS 36 Cb 0.79 0.05 -0.03 0.00 1.55 0.00 0.00 27.41 29.78 2qex h HIS 36 CO 0.01 0.30 0.33 -0.07 -1.30 0.00 0.00 177.93 177.21 2qex h LEU 37 N -0.74 0.57 -0.36 0.26 3.38 -1.05 0.59 115.31 117.95 2qex h LEU 37 Ca -0.02 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 2qex h LEU 37 Cb 0.54 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2qex h LEU 37 CO 0.03 0.41 0.04 0.00 0.09 0.00 0.00 178.44 179.01 2qex h ALA 38 N 1.69 0.48 0.05 1.53 0.00 -1.23 -1.21 119.26 120.56 2qex h ALA 38 Ca 0.19 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2qex h ALA 38 Cb -0.07 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2qex h ALA 38 CO -0.04 0.20 -0.03 -0.22 0.00 0.00 0.00 179.25 179.16 2qex h LYS 39 N 0.44 -0.07 0.00 0.00 3.64 -1.13 -1.11 116.57 118.33 2qex h LYS 39 Ca 0.11 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.44 2qex h LYS 39 Cb 0.39 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2qex h LYS 39 CO 0.01 0.54 -0.26 0.45 -2.27 0.00 0.00 179.45 177.92 2qex h HIS 40 N -0.81 0.00 -0.03 1.91 3.86 -0.98 -2.90 115.15 116.21 2qex h HIS 40 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2qex h HIS 40 Cb 0.64 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.11 2qex h HIS 40 CO 0.15 0.26 -0.01 1.19 0.86 0.00 0.00 177.93 180.38 2qex n PHE 41 N -3.76 0.00 -3.24 2.45 3.01 -0.46 -5.01 117.46 110.45 2qex n PHE 41 Ca -0.01 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.30 2qex n PHE 41 Cb 0.36 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 39.91 2qex n PHE 41 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2qex n SER 42 N 1.27 -3.89 -1.59 4.37 7.64 -1.00 -5.03 113.62 115.38 2qex n SER 42 Ca 0.13 -0.61 -0.05 0.00 1.01 0.00 0.00 58.87 59.35 2qex n SER 42 Cb 0.58 -4.83 -0.02 0.00 -1.01 0.00 0.00 64.21 58.93 2qex n SER 42 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2qex n VAL 43 N -3.56 0.00 -3.51 0.44 0.24 -0.45 -5.05 118.33 106.44 2qex n VAL 43 Ca -0.18 -0.62 -0.37 0.00 -2.04 0.00 0.00 64.34 61.13 2qex n VAL 43 Cb 0.64 0.32 -0.06 0.00 -1.47 0.00 0.00 33.84 33.27 2qex n VAL 43 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2qex s ASP 44 N -1.63 6.78 0.42 -1.34 1.11 -1.26 -4.55 116.67 116.20 2qex s ASP 44 Ca 0.10 0.94 0.14 0.00 0.18 0.00 0.00 52.55 53.91 2qex s ASP 44 Cb 0.00 -2.24 1.01 0.00 1.07 0.00 0.00 42.92 42.77 2qex s ASP 44 CO 0.07 0.28 1.94 -0.33 1.18 0.00 0.00 175.17 178.31 2qex h GLU 45 N 4.45 0.44 -0.29 8.23 5.08 -1.91 0.31 114.58 130.89 2qex h GLU 45 Ca -0.51 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 57.81 2qex h GLU 45 Cb 1.21 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 2qex h GLU 45 CO 0.63 0.29 0.11 -0.44 -1.00 0.00 0.00 179.01 178.59 2qex h ASP 46 N 0.45 0.36 -0.06 1.42 3.32 -1.96 -1.84 116.42 118.11 2qex h ASP 46 Ca 0.34 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.36 2qex h ASP 46 Cb 0.72 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.17 2qex h ASP 46 CO -0.11 0.34 0.00 0.00 -1.72 0.00 0.00 179.24 177.75 2qex n ALA 47 N -2.49 2.58 -2.63 3.45 0.00 0.11 -4.84 120.51 116.69 2qex n ALA 47 Ca 0.01 -0.38 -0.40 0.00 0.00 0.00 0.00 53.44 52.67 2qex n ALA 47 Cb 0.13 -1.22 -0.07 0.00 0.00 0.00 0.00 19.45 18.29 2qex n ALA 47 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2qex s VAL 48 N -1.94 5.06 -0.28 0.00 1.01 -0.69 -2.47 120.40 121.09 2qex s VAL 48 Ca 0.37 0.96 -0.08 0.00 0.00 0.00 0.00 61.98 63.22 2qex s VAL 48 Cb 0.19 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 2qex s VAL 48 CO 0.30 0.09 0.11 -0.60 0.00 0.00 0.00 175.10 175.00 2qex s ARG 49 N 2.20 3.50 -0.26 2.72 6.06 -0.19 -4.99 118.95 127.99 2qex s ARG 49 Ca 0.23 -0.59 -0.09 0.00 -2.50 0.00 0.00 55.73 52.78 2qex s ARG 49 Cb -0.16 -3.43 -0.04 0.00 0.06 0.00 0.00 34.95 31.38 2qex s ARG 49 CO 0.09 -0.29 0.14 -0.51 -2.50 0.00 0.00 175.30 172.23 2qex s LEU 50 N 1.61 3.80 0.17 -0.88 1.43 -1.26 -1.40 118.68 122.15 2qex s LEU 50 Ca 0.05 -0.07 -0.30 0.00 -1.03 0.00 0.00 54.13 52.78 2qex s LEU 50 Cb -0.16 -2.04 -0.08 0.00 0.03 0.00 0.00 46.19 43.94 2qex s LEU 50 CO 0.05 -0.02 1.19 -0.62 0.23 0.00 0.00 176.35 177.17 2qex s ASP 51 N 1.57 7.10 0.39 2.29 -1.08 0.06 -4.89 116.67 122.11 2qex s ASP 51 Ca 0.07 2.20 0.04 0.00 -0.52 0.00 0.00 52.55 54.34 2qex s ASP 51 Cb -0.15 -2.60 0.24 0.00 -1.46 0.00 0.00 42.92 38.94 2qex s ASP 51 CO 0.07 -0.36 0.96 -0.65 0.52 0.00 0.00 175.17 175.71 2qex h PRO 52 N 5.36 0.00 -0.24 4.34 0.11 -1.98 0.24 132.00 139.83 2qex h PRO 52 Ca -0.44 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.56 2qex h PRO 52 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2qex h PRO 52 CO 0.75 0.00 -0.32 0.66 -0.21 0.00 0.00 178.00 178.88 2qex h SER 53 N 0.00 0.52 -0.36 -2.05 4.64 -1.93 -2.46 113.55 111.91 2qex h SER 53 Ca 0.00 -0.20 -0.14 0.00 -0.47 0.00 0.00 61.79 60.98 2qex h SER 53 Cb 1.32 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 2qex h SER 53 CO 0.00 0.81 -0.30 0.40 -0.87 0.00 0.00 176.83 176.87 2qex h ILE 54 N 0.43 1.27 0.41 0.95 2.04 -0.88 -2.47 117.51 119.27 2qex h ILE 54 Ca 0.05 -1.46 -0.01 0.00 1.00 0.00 0.00 64.86 64.44 2qex h ILE 54 Cb 0.78 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 2qex h ILE 54 CO 0.06 0.49 -0.31 -1.13 0.00 0.00 0.00 178.15 177.26 2qex h ASN 55 N 0.75 -0.81 0.18 1.72 -1.24 -1.58 -2.40 115.58 112.20 2qex h ASN 55 Ca 0.08 0.06 -0.03 0.00 0.71 0.00 0.00 56.30 57.12 2qex h ASN 55 Cb 0.86 0.26 -0.00 0.00 0.73 0.00 0.00 38.32 40.17 2qex h ASN 55 CO 0.08 -0.47 -0.15 -0.33 -1.29 0.00 0.00 177.43 175.27 2qex h GLU 56 N -0.72 0.00 -0.18 6.67 5.08 -1.47 -1.18 114.58 122.78 2qex h GLU 56 Ca -0.04 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2qex h GLU 56 Cb 0.62 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 2qex h GLU 56 CO 0.00 0.15 0.04 0.00 -1.00 0.00 0.00 179.01 178.20 2qex h ALA 57 N 1.85 0.24 -0.08 3.43 0.00 -1.11 -2.12 119.26 121.47 2qex h ALA 57 Ca -0.00 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.58 2qex h ALA 57 Cb 0.28 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2qex h ALA 57 CO 0.02 -0.10 -0.67 0.00 0.00 0.00 0.00 179.25 178.49 2qex h ALA 58 N 0.84 0.69 -0.46 0.00 0.00 -0.94 -3.15 119.26 116.24 2qex h ALA 58 Ca 0.06 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2qex h ALA 58 Cb 0.28 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2qex h ALA 58 CO 0.00 0.75 0.00 0.91 0.00 0.00 0.00 179.25 180.91 2qex n TRP 59 N -3.85 0.94 -0.06 0.00 7.02 -0.49 -4.61 117.44 116.38 2qex n TRP 59 Ca -0.03 -0.39 -0.07 0.00 -1.02 0.00 0.00 57.50 55.98 2qex n TRP 59 Cb 0.67 -0.14 -0.01 0.00 -2.42 0.00 0.00 31.31 29.41 2qex n TRP 59 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2qex h ALA 60 N 3.70 0.08 -0.91 6.99 0.00 -1.34 -2.75 119.26 125.03 2qex h ALA 60 Ca 0.00 0.10 -0.52 0.00 0.00 0.00 0.00 54.91 54.49 2qex h ALA 60 Cb 0.98 0.32 -0.28 0.00 0.00 0.00 0.00 17.79 18.80 2qex h ALA 60 CO 0.13 -0.54 0.58 0.54 0.00 0.00 0.00 179.25 179.96 2qex n ARG 61 N -5.30 2.36 0.00 0.00 1.74 -1.26 -5.05 116.66 109.15 2qex n ARG 61 Ca -0.00 -3.14 0.00 0.00 -0.77 0.00 0.00 57.85 53.93 2qex n ARG 61 Cb 0.22 -2.17 0.00 0.00 -1.02 0.00 0.00 32.46 29.49 2qex n ARG 61 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qex n GLY 62 N -1.07 -0.37 0.27 -0.13 0.00 -1.04 -4.20 105.19 98.65 2qex n GLY 62 Ca 0.57 -1.81 0.15 0.00 0.00 0.00 0.00 46.02 44.93 2qex n GLY 62 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2qex h ARG 63 N 0.00 0.00 -0.00 1.61 2.43 -1.90 -3.25 114.38 113.27 2qex h ARG 63 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2qex h ARG 63 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2qex h ARG 63 CO 0.00 0.09 -0.88 0.00 -1.51 0.00 0.00 179.97 177.67 2qex n ALA 64 N -2.19 4.49 -3.84 2.80 0.00 -1.26 -1.45 120.51 119.06 2qex n ALA 64 Ca -0.01 -0.61 -0.29 0.00 0.00 0.00 0.00 53.44 52.53 2qex n ALA 64 Cb 0.28 -0.77 -0.13 0.00 0.00 0.00 0.00 19.45 18.83 2qex n ALA 64 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2qex s ASN 65 N -2.87 4.12 0.03 0.00 0.01 -1.23 -4.77 114.94 110.23 2qex s ASN 65 Ca 0.10 -3.15 -0.12 0.00 -0.71 0.00 0.00 52.86 48.98 2qex s ASN 65 Cb 0.16 -1.41 -0.06 0.00 0.41 0.00 0.00 41.25 40.35 2qex s ASN 65 CO 0.80 -0.20 0.39 -0.89 -1.51 0.00 0.00 177.10 175.69 2qex s THR 66 N -0.43 5.09 -0.10 1.60 2.01 -1.26 -4.37 115.64 118.18 2qex s THR 66 Ca 0.20 0.63 -0.30 0.00 0.31 0.00 0.00 61.69 62.53 2qex s THR 66 Cb -0.18 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 2qex s THR 66 CO -0.06 0.45 1.45 -2.16 -0.69 0.00 0.00 174.62 173.61 2qex s PRO 67 N -1.46 4.21 0.26 4.92 0.04 -1.26 -4.89 135.00 136.82 2qex s PRO 67 Ca 0.28 1.92 0.07 0.00 0.04 0.00 0.00 61.00 63.31 2qex s PRO 67 Cb -0.15 -3.85 0.38 0.00 0.04 0.00 0.00 34.50 30.92 2qex s PRO 67 CO 0.15 -0.76 1.03 -1.13 0.04 0.00 0.00 177.00 176.33 2qex n SER 68 N 6.73 0.18 -3.95 6.66 3.41 -1.26 -4.64 113.62 120.74 2qex n SER 68 Ca 0.15 0.40 -0.09 0.00 -0.26 0.00 0.00 58.87 59.07 2qex n SER 68 Cb 0.44 -0.31 -0.05 0.00 -0.26 0.00 0.00 64.21 64.03 2qex n SER 68 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2qex s LYS 69 N -3.04 1.50 -0.29 4.33 1.02 -1.26 -0.12 119.74 121.87 2qex s LYS 69 Ca -0.01 -1.17 -0.16 0.00 0.02 0.00 0.00 55.97 54.65 2qex s LYS 69 Cb 0.02 0.48 0.13 0.00 -0.52 0.00 0.00 37.83 37.94 2qex s LYS 69 CO 0.06 -0.62 0.92 -1.50 -0.92 0.00 0.00 175.35 173.29 2qex s ILE 70 N -3.99 -0.04 -0.03 2.17 2.07 -0.96 -4.93 121.20 115.49 2qex s ILE 70 Ca 0.19 0.00 -0.25 0.00 -1.41 0.00 0.00 60.65 59.18 2qex s ILE 70 Cb -0.01 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.55 2qex s ILE 70 CO 0.06 0.00 0.77 -0.13 -1.91 0.00 0.00 174.94 173.73 2qex s ARG 71 N 1.47 4.47 0.02 3.50 0.52 -1.26 -0.99 118.95 126.68 2qex s ARG 71 Ca -0.09 1.03 0.01 0.00 -0.52 0.00 0.00 55.73 56.16 2qex s ARG 71 Cb -0.04 -3.43 -0.01 0.00 0.52 0.00 0.00 34.95 31.98 2qex s ARG 71 CO -0.16 0.09 -0.04 0.54 0.02 0.00 0.00 175.30 175.74 2qex s VAL 72 N 0.66 0.30 -0.32 3.52 0.11 0.92 -3.90 120.40 121.69 2qex s VAL 72 Ca 0.41 -0.57 -0.08 0.00 -2.93 0.00 0.00 61.98 58.81 2qex s VAL 72 Cb -0.19 -0.33 0.01 0.00 -1.53 0.00 0.00 36.38 34.34 2qex s VAL 72 CO 0.21 -0.18 0.13 -0.60 -3.33 0.00 0.00 175.10 171.33 2qex s ARG 73 N -0.80 3.07 0.33 1.54 3.52 0.76 -0.29 118.95 127.08 2qex s ARG 73 Ca -0.06 -0.89 0.08 0.00 -0.13 0.00 0.00 55.73 54.74 2qex s ARG 73 Cb -0.06 -3.51 -0.04 0.00 -1.56 0.00 0.00 34.95 29.79 2qex s ARG 73 CO -0.00 -0.50 0.16 0.00 -0.81 0.00 0.00 175.30 174.14 2qex s ALA 74 N 1.53 3.53 -0.07 6.12 0.00 -0.70 -1.35 121.76 130.82 2qex s ALA 74 Ca 0.03 -1.77 -0.04 0.00 0.00 0.00 0.00 51.96 50.18 2qex s ALA 74 Cb -0.18 -0.83 0.03 0.00 0.00 0.00 0.00 23.12 22.14 2qex s ALA 74 CO 0.04 0.06 0.17 0.00 0.00 0.00 0.00 175.76 176.03 2qex s ALA 75 N -2.38 -0.36 -0.12 0.00 0.00 -0.83 -1.97 121.76 116.10 2qex s ALA 75 Ca 0.37 0.65 -0.01 0.00 0.00 0.00 0.00 51.96 52.97 2qex s ALA 75 Cb -0.04 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 2qex s ALA 75 CO 0.23 -0.14 -0.06 0.50 0.00 0.00 0.00 175.76 176.30 2qex s ARG 76 N 0.82 3.25 -0.01 0.00 3.52 -1.26 -2.50 118.95 122.77 2qex s ARG 76 Ca -0.06 -0.55 -0.07 0.00 -0.13 0.00 0.00 55.73 54.93 2qex s ARG 76 Cb -0.08 -2.75 0.02 0.00 -1.56 0.00 0.00 34.95 30.59 2qex s ARG 76 CO -0.04 0.42 0.30 1.97 -0.81 0.00 0.00 175.30 177.14 2qex n PHE 77 N 2.96 -0.13 -0.04 5.12 1.16 -1.04 -4.71 117.46 120.78 2qex n PHE 77 Ca -0.18 -0.15 0.00 0.00 -1.87 0.00 0.00 57.45 55.26 2qex n PHE 77 Cb 0.53 0.07 -0.00 0.00 -1.61 0.00 0.00 39.48 38.46 2qex n PHE 77 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98 2qex n GLU 78 N -0.22 -0.08 -0.06 3.97 2.13 -1.26 -1.21 120.64 123.91 2qex n GLU 78 Ca 0.01 0.06 0.02 0.00 0.66 0.00 0.00 57.16 57.91 2qex n GLU 78 Cb 0.13 -0.10 0.34 0.00 0.27 0.00 0.00 31.44 32.08 2qex n GLU 78 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 2qex h GLU 79 N -0.04 0.67 0.00 5.31 -0.00 -2.03 -3.02 114.58 115.47 2qex h GLU 79 Ca -0.00 -0.07 -0.21 0.00 -0.00 0.00 0.00 59.36 59.08 2qex h GLU 79 Cb 0.04 -0.14 -0.04 0.00 -0.00 0.00 0.00 28.75 28.61 2qex h GLU 79 CO 0.00 0.50 -1.92 -1.91 -0.00 0.00 0.00 179.01 175.68 2qex n GLU 80 N -4.41 0.66 -0.47 1.06 2.13 -1.26 -5.07 120.64 113.27 2qex n GLU 80 Ca 0.04 0.04 0.00 0.00 0.66 0.00 0.00 57.16 57.91 2qex n GLU 80 Cb 0.10 -1.64 0.00 0.00 0.27 0.00 0.00 31.44 30.18 2qex n GLU 80 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qex n GLY 81 N 1.50 -0.84 3.35 8.31 0.00 -1.14 -5.03 105.19 111.34 2qex n GLY 81 Ca -0.17 -0.79 -0.18 0.00 0.00 0.00 0.00 46.02 44.88 2qex n GLY 81 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2qex s GLU 82 N -1.25 1.80 -0.16 1.61 -1.05 -0.35 -4.74 118.70 114.56 2qex s GLU 82 Ca 0.00 -1.93 -0.04 0.00 -0.15 0.00 0.00 54.97 52.85 2qex s GLU 82 Cb 0.00 0.36 0.07 0.00 -0.44 0.00 0.00 34.13 34.13 2qex s GLU 82 CO 0.00 -0.69 0.20 0.00 0.95 0.00 0.00 175.26 175.72 2qex s ALA 83 N -3.32 -0.23 -0.16 -0.84 0.00 -1.03 -2.50 121.76 113.68 2qex s ALA 83 Ca 0.38 0.39 -0.17 0.00 0.00 0.00 0.00 51.96 52.56 2qex s ALA 83 Cb 0.02 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.98 2qex s ALA 83 CO 0.25 -0.95 0.42 0.42 0.00 0.00 0.00 175.76 175.90 2qex s ILE 84 N 2.32 5.21 0.09 0.00 1.01 -1.04 -1.03 121.20 127.76 2qex s ILE 84 Ca 0.05 0.80 0.04 0.00 0.00 0.00 0.00 60.65 61.55 2qex s ILE 84 Cb -0.14 -3.76 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 2qex s ILE 84 CO -0.10 0.31 -0.12 -0.69 0.00 0.00 0.00 174.94 174.34 2qex s VAL 85 N 0.87 1.04 0.17 2.92 1.01 -0.49 -1.96 120.40 123.96 2qex s VAL 85 Ca 0.22 -1.51 -0.11 0.00 0.00 0.00 0.00 61.98 60.59 2qex s VAL 85 Cb -0.15 -1.24 -0.00 0.00 0.00 0.00 0.00 36.38 34.99 2qex s VAL 85 CO 0.08 -0.41 0.34 -1.83 0.00 0.00 0.00 175.10 173.28 2qex s GLU 86 N -2.34 1.21 0.15 2.72 -1.05 -0.46 -0.76 118.70 118.17 2qex s GLU 86 Ca 0.03 -1.11 -0.02 0.00 -0.15 0.00 0.00 54.97 53.71 2qex s GLU 86 Cb -0.06 0.41 0.04 0.00 -0.44 0.00 0.00 34.13 34.07 2qex s GLU 86 CO 0.01 -0.46 0.16 0.00 0.95 0.00 0.00 175.26 175.92 2qex n ALA 87 N -0.24 -0.34 -1.50 -0.84 0.00 -1.26 -0.17 120.51 116.16 2qex n ALA 87 Ca -0.08 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.14 2qex n ALA 87 Cb 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.06 2qex n ALA 87 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89