#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wxl n HIS 3 N 0.00 -1.63 -2.74 7.33 -0.00 -1.26 -5.08 115.22 111.83 1wxl n HIS 3 Ca 0.00 0.21 -0.04 0.00 -0.00 0.00 0.00 57.72 57.89 1wxl n HIS 3 Cb 0.00 0.85 0.02 0.00 -0.00 0.00 0.00 29.99 30.86 1wxl n HIS 3 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 1wxl n MET 4 N -2.71 0.48 -2.56 1.57 0.00 -1.26 -4.41 117.12 108.23 1wxl n MET 4 Ca 0.00 -1.76 -0.41 0.00 -0.00 0.00 0.00 57.70 55.52 1wxl n MET 4 Cb 0.00 -1.16 -0.03 0.00 0.00 0.00 0.00 33.22 32.03 1wxl n MET 4 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1wxl s PRO 5 N 0.86 3.62 0.00 2.12 0.04 -1.26 -4.86 135.00 135.52 1wxl s PRO 5 Ca 0.29 -1.19 -0.03 0.00 0.04 0.00 0.00 61.00 60.11 1wxl s PRO 5 Cb 0.05 -5.37 -0.12 0.00 0.04 0.00 0.00 34.50 29.09 1wxl s PRO 5 CO -0.08 -2.22 2.13 1.17 0.04 0.00 0.00 177.00 178.05 1wxl n LYS 6 N 8.85 1.09 -1.56 4.56 4.81 -1.26 -4.60 118.16 130.05 1wxl n LYS 6 Ca 0.34 -0.44 -0.06 0.00 -0.87 0.00 0.00 58.31 57.28 1wxl n LYS 6 Cb 0.51 -1.62 -0.02 0.00 0.02 0.00 0.00 35.03 33.92 1wxl n LYS 6 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1wxl n ARG 7 N 2.36 -1.56 -0.79 1.64 0.00 -1.26 -4.56 116.66 112.49 1wxl n ARG 7 Ca 0.19 0.36 0.11 0.00 -0.00 0.00 0.00 57.85 58.50 1wxl n ARG 7 Cb 0.51 -4.60 -0.03 0.00 0.00 0.00 0.00 32.46 28.34 1wxl n ARG 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1wxl n ALA 8 N -0.87 -2.04 -2.41 5.13 0.00 -1.26 -4.54 120.51 114.51 1wxl n ALA 8 Ca -0.07 0.29 -0.28 0.00 0.00 0.00 0.00 53.44 53.39 1wxl n ALA 8 Cb 0.31 -0.73 -0.15 0.00 0.00 0.00 0.00 19.45 18.88 1wxl n ALA 8 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1wxl s THR 9 N -2.00 1.86 0.68 0.00 -4.23 -1.26 -4.92 115.64 105.77 1wxl s THR 9 Ca 0.00 -1.22 -0.15 0.00 -1.18 0.00 0.00 61.69 59.14 1wxl s THR 9 Cb 0.00 -1.59 0.01 0.00 1.34 0.00 0.00 72.50 72.26 1wxl s THR 9 CO 0.00 0.32 1.14 0.42 -0.54 0.00 0.00 174.62 175.97 1wxl s THR 10 N -0.74 2.91 0.35 3.99 -4.23 -1.26 -3.72 115.64 112.93 1wxl s THR 10 Ca 0.09 0.43 0.16 0.00 -1.18 0.00 0.00 61.69 61.19 1wxl s THR 10 Cb -0.09 -2.97 0.33 0.00 1.34 0.00 0.00 72.50 71.11 1wxl s THR 10 CO 0.01 -0.25 1.65 0.00 -0.54 0.00 0.00 174.62 175.49 1wxl h ALA 11 N -0.06 2.00 0.03 3.99 0.00 -1.87 0.64 119.26 123.99 1wxl h ALA 11 Ca -0.47 0.21 -0.22 0.00 0.00 0.00 0.00 54.91 54.42 1wxl h ALA 11 Cb 1.26 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 1wxl h ALA 11 CO 0.53 -0.65 -1.04 0.35 0.00 0.00 0.00 179.25 178.44 1wxl h PHE 12 N 0.26 0.14 -0.01 0.00 3.04 -1.93 -3.08 116.94 115.37 1wxl h PHE 12 Ca 0.76 -0.10 0.00 0.00 3.98 0.00 0.00 57.97 62.61 1wxl h PHE 12 Cb 1.79 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 40.29 1wxl h PHE 12 CO -0.01 1.06 -0.37 -0.12 -2.02 0.00 0.00 178.31 176.84 1wxl n MET 13 N -3.43 0.72 -0.09 1.11 1.56 0.17 -1.51 117.12 115.66 1wxl n MET 13 Ca -0.02 -0.47 -0.11 0.00 -0.27 0.00 0.00 57.70 56.82 1wxl n MET 13 Cb 0.94 -1.49 -0.15 0.00 2.15 0.00 0.00 33.22 34.67 1wxl n MET 13 CO 0.00 0.00 0.00 1.47 -0.73 0.00 0.00 175.97 176.71 1wxl n LEU 14 N -0.73 0.61 0.07 -0.89 -0.00 0.14 -3.55 117.00 112.65 1wxl n LEU 14 Ca 0.10 0.06 -0.22 0.00 -0.00 0.00 0.00 56.01 55.95 1wxl n LEU 14 Cb 0.37 0.21 -0.15 0.00 -0.00 0.00 0.00 43.42 43.85 1wxl n LEU 14 CO 0.29 0.55 -0.26 -0.25 -0.00 0.00 0.00 177.39 177.71 1wxl h TRP 15 N 0.00 0.65 0.00 1.47 7.01 -1.65 -2.94 115.95 120.50 1wxl h TRP 15 Ca -0.50 -0.48 -0.00 0.00 2.11 0.00 0.00 58.89 60.02 1wxl h TRP 15 Cb 2.16 -0.03 -0.00 0.00 -2.10 0.00 0.00 29.16 29.19 1wxl h TRP 15 CO 0.01 1.51 -0.02 1.25 -2.79 0.00 0.00 178.44 178.40 1wxl h LEU 16 N -0.15 0.00 0.11 0.65 5.85 -1.47 1.65 115.31 121.96 1wxl h LEU 16 Ca -0.25 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 1wxl h LEU 16 Cb 1.88 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.92 1wxl h LEU 16 CO 0.16 0.02 -0.05 -1.13 -0.34 0.00 0.00 178.44 177.09 1wxl h ASN 17 N 0.00 -0.13 1.13 1.25 -0.73 -1.59 9.95 115.58 125.46 1wxl h ASN 17 Ca -0.00 -0.37 -0.06 0.00 1.87 0.00 0.00 56.30 57.73 1wxl h ASN 17 Cb 0.12 0.03 -0.01 0.00 0.27 0.00 0.00 38.32 38.73 1wxl h ASN 17 CO 0.00 0.33 -0.31 -0.78 -0.37 0.00 0.00 177.43 176.31 1wxl h ASP 18 N -0.63 0.00 0.00 1.15 3.58 -1.06 -3.11 116.42 116.36 1wxl h ASP 18 Ca -0.02 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.35 1wxl h ASP 18 Cb 0.49 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.53 1wxl h ASP 18 CO 0.03 0.31 -1.94 0.41 -2.88 0.00 0.00 179.24 175.17 1wxl n THR 19 N -3.35 0.32 -0.23 2.25 -1.04 0.55 -4.13 114.28 108.65 1wxl n THR 19 Ca 0.01 -0.51 0.12 0.00 -2.04 0.00 0.00 64.05 61.64 1wxl n THR 19 Cb 0.53 -0.09 0.41 0.00 -1.82 0.00 0.00 70.33 69.36 1wxl n THR 19 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1wxl h ARG 20 N 0.00 0.60 -0.56 -2.82 2.43 2.18 1.87 114.38 118.08 1wxl h ARG 20 Ca -0.13 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 58.91 1wxl h ARG 20 Cb 1.18 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.57 1wxl h ARG 20 CO 0.01 0.40 -0.02 1.05 -1.51 0.00 0.00 179.97 179.90 1wxl h GLU 21 N 0.62 0.99 0.00 0.20 4.11 -1.70 -2.56 114.58 116.25 1wxl h GLU 21 Ca 0.42 -0.31 -0.03 0.00 0.07 0.00 0.00 59.36 59.51 1wxl h GLU 21 Cb 0.72 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 1wxl h GLU 21 CO -0.17 0.98 -0.15 0.77 0.07 0.00 0.00 179.01 180.51 1wxl h SER 22 N 0.90 0.00 0.14 3.06 0.02 0.23 -2.74 113.55 115.16 1wxl h SER 22 Ca 0.16 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.83 1wxl h SER 22 Cb 0.55 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.12 1wxl h SER 22 CO 0.03 0.15 -1.18 0.40 -1.14 0.00 0.00 176.83 175.09 1wxl h ILE 23 N 0.00 1.33 0.00 3.27 2.04 0.10 0.12 117.51 124.36 1wxl h ILE 23 Ca -0.00 -2.48 -0.10 0.00 1.00 0.00 0.00 64.86 63.28 1wxl h ILE 23 Cb 0.71 2.82 -0.01 0.00 -0.74 0.00 0.00 36.82 39.60 1wxl h ILE 23 CO 0.02 0.74 -0.47 0.50 0.00 0.00 0.00 178.15 178.94 1wxl h LYS 24 N 0.13 0.00 0.02 2.37 1.63 -1.44 0.13 116.57 119.41 1wxl h LYS 24 Ca -0.19 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.53 1wxl h LYS 24 Cb 1.88 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 33.51 1wxl h LYS 24 CO 0.22 0.47 -0.34 0.00 -3.45 0.00 0.00 179.45 176.35 1wxl h ARG 25 N 0.00 0.20 0.00 1.90 3.08 -1.49 0.15 114.38 118.22 1wxl h ARG 25 Ca -0.00 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.81 1wxl h ARG 25 Cb 0.90 0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.02 1wxl h ARG 25 CO 0.06 0.99 0.00 0.39 -1.07 0.00 0.00 179.97 180.35 1wxl n GLU 26 N -4.43 0.10 -3.03 0.04 -0.58 0.40 -3.59 120.64 109.55 1wxl n GLU 26 Ca -0.10 0.46 -0.13 0.00 -0.42 0.00 0.00 57.16 56.97 1wxl n GLU 26 Cb 0.56 -1.74 -0.04 0.00 -0.57 0.00 0.00 31.44 29.66 1wxl n GLU 26 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1wxl s ASN 27 N -3.66 -0.27 0.00 1.62 0.01 0.44 -5.02 114.94 108.05 1wxl s ASN 27 Ca 0.02 -2.23 0.00 0.00 -0.71 0.00 0.00 52.86 49.94 1wxl s ASN 27 Cb 0.07 0.96 0.00 0.00 0.41 0.00 0.00 41.25 42.69 1wxl s ASN 27 CO 0.23 -0.11 1.22 -0.81 -1.51 0.00 0.00 177.10 176.12 1wxl n PRO 28 N 2.97 0.67 -0.43 -0.60 -0.04 0.51 -2.71 135.00 135.37 1wxl n PRO 28 Ca 0.22 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1wxl n PRO 28 Cb 0.53 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 1wxl n PRO 28 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wxl n GLY 29 N 1.48 0.89 0.00 0.55 0.00 -1.26 -5.08 105.19 101.77 1wxl n GLY 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1wxl n GLY 29 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1wxl n ILE 30 N 0.00 0.00 -3.60 -0.61 -5.35 -1.10 -5.14 119.36 103.56 1wxl n ILE 30 Ca 0.00 0.00 -0.14 0.00 -0.27 0.00 0.00 62.75 62.34 1wxl n ILE 30 Cb 0.52 -0.25 -0.06 0.00 -1.74 0.00 0.00 39.64 38.11 1wxl n ILE 30 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 1wxl s LYS 31 N 2.69 0.99 0.30 6.28 -2.85 -1.26 -4.99 119.74 120.89 1wxl s LYS 31 Ca 0.00 -0.21 0.22 0.00 -1.00 0.00 0.00 55.97 54.98 1wxl s LYS 31 Cb 0.00 0.45 1.01 0.00 -2.06 0.00 0.00 37.83 37.23 1wxl s LYS 31 CO 0.00 -0.34 1.07 1.55 0.10 0.00 0.00 175.35 177.73 1wxl n VAL 32 N 0.54 -0.18 0.14 1.79 3.14 -1.26 0.25 118.33 122.75 1wxl n VAL 32 Ca -0.19 1.24 0.02 0.00 -2.96 0.00 0.00 64.34 62.46 1wxl n VAL 32 Cb 0.60 -2.04 0.06 0.00 -1.06 0.00 0.00 33.84 31.40 1wxl n VAL 32 CO 0.00 0.00 0.00 0.71 -6.46 0.00 0.00 176.83 171.08 1wxl h THR 33 N 0.00 0.98 0.00 1.55 1.35 -2.00 -3.07 112.91 111.72 1wxl h THR 33 Ca 0.60 -2.26 0.00 0.00 -0.55 0.00 0.00 66.41 64.20 1wxl h THR 33 Cb 1.92 2.40 0.00 0.00 -1.73 0.00 0.00 68.15 70.73 1wxl h THR 33 CO -0.33 0.54 -0.40 -0.08 -0.25 0.00 0.00 175.52 174.99 1wxl h GLU 34 N 0.00 0.00 -0.28 4.72 4.57 0.30 -2.88 114.58 121.02 1wxl h GLU 34 Ca -0.01 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.04 1wxl h GLU 34 Cb 1.35 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.94 1wxl h GLU 34 CO 0.07 0.00 -0.34 0.82 -1.18 0.00 0.00 179.01 178.38 1wxl h ILE 35 N 0.00 1.30 0.00 2.32 2.04 -1.21 0.42 117.51 122.38 1wxl h ILE 35 Ca 0.00 -1.52 -0.10 0.00 1.00 0.00 0.00 64.86 64.24 1wxl h ILE 35 Cb 0.87 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 1wxl h ILE 35 CO 0.00 0.49 -0.46 0.00 0.00 0.00 0.00 178.15 178.17 1wxl h ALA 36 N 0.69 0.88 0.00 1.87 0.00 -1.57 -2.43 119.26 118.70 1wxl h ALA 36 Ca 0.04 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 1wxl h ALA 36 Cb 0.92 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1wxl h ALA 36 CO 0.08 0.58 -0.69 -0.22 0.00 0.00 0.00 179.25 179.00 1wxl h LYS 37 N 0.00 0.00 0.00 0.00 1.63 -1.37 -3.24 116.57 113.59 1wxl h LYS 37 Ca -0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1wxl h LYS 37 Cb 1.08 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.71 1wxl h LYS 37 CO 0.06 0.39 -0.04 -0.22 -3.45 0.00 0.00 179.45 176.19 1wxl h LYS 38 N -1.00 0.00 0.04 1.90 1.63 -0.29 -2.55 116.57 116.30 1wxl h LYS 38 Ca -0.12 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.58 1wxl h LYS 38 Cb 0.76 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.40 1wxl h LYS 38 CO -0.07 0.04 -0.44 0.78 -3.45 0.00 0.00 179.45 176.31 1wxl h GLY 39 N 0.37 0.25 -0.01 5.01 0.00 -1.56 -3.30 103.07 103.82 1wxl h GLY 39 Ca -0.00 -0.52 0.17 0.00 0.00 0.00 0.00 47.33 46.98 1wxl h GLY 39 CO 0.01 0.45 0.32 -1.33 0.00 0.00 0.00 176.54 175.99 1wxl h GLY 40 N -0.49 1.27 0.65 4.60 0.00 -1.48 0.50 103.07 108.12 1wxl h GLY 40 Ca -0.07 -0.14 0.05 0.00 0.00 0.00 0.00 47.33 47.18 1wxl h GLY 40 CO 0.08 -0.17 0.23 1.05 0.00 0.00 0.00 176.54 177.73 1wxl h GLU 41 N 0.41 0.43 -0.16 4.80 4.11 -1.63 0.16 114.58 122.70 1wxl h GLU 41 Ca 0.47 -0.03 -0.22 0.00 0.07 0.00 0.00 59.36 59.65 1wxl h GLU 41 Cb 0.79 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.95 1wxl h GLU 41 CO -0.46 0.28 -0.75 0.00 0.07 0.00 0.00 179.01 178.15 1wxl h MET 42 N 0.44 0.79 0.34 1.06 -0.00 -1.23 -3.31 114.93 113.03 1wxl h MET 42 Ca 0.23 -0.64 -0.02 0.00 -0.00 0.00 0.00 59.70 59.28 1wxl h MET 42 Cb 0.18 0.13 0.00 0.00 -0.00 0.00 0.00 31.60 31.91 1wxl h MET 42 CO -0.19 1.25 -0.17 2.35 -0.00 0.00 0.00 176.91 180.15 1wxl h TRP 43 N 0.53 -0.44 -1.07 -0.10 2.91 0.36 -2.15 115.95 115.99 1wxl h TRP 43 Ca -0.05 -0.01 0.31 0.00 1.13 0.00 0.00 58.89 60.27 1wxl h TRP 43 Cb 1.38 0.15 -0.04 0.00 -0.51 0.00 0.00 29.16 30.13 1wxl h TRP 43 CO 0.09 -0.27 0.96 0.87 -1.03 0.00 0.00 178.44 179.05 1wxl h LYS 44 N -0.47 0.00 -0.43 2.65 1.57 -0.78 0.12 116.57 119.23 1wxl h LYS 44 Ca -0.05 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.41 1wxl h LYS 44 Cb 0.36 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 32.36 1wxl h LYS 44 CO 0.07 0.00 -0.81 0.39 -0.57 0.00 0.00 179.45 178.53 1wxl n GLU 45 N -3.73 2.43 -4.57 3.15 -0.58 -0.97 -5.05 120.64 111.31 1wxl n GLU 45 Ca 0.23 -3.63 -0.31 0.00 -0.42 0.00 0.00 57.16 53.03 1wxl n GLU 45 Cb 1.30 -1.78 -0.12 0.00 -0.57 0.00 0.00 31.44 30.28 1wxl n GLU 45 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1wxl s LEU 46 N -3.21 2.86 -0.08 -4.62 0.20 0.43 -5.01 118.68 109.25 1wxl s LEU 46 Ca 0.42 -0.30 0.11 0.00 0.69 0.00 0.00 54.13 55.06 1wxl s LEU 46 Cb 0.38 -1.66 0.47 0.00 -0.43 0.00 0.00 46.19 44.95 1wxl s LEU 46 CO -0.02 0.27 1.31 2.29 -0.29 0.00 0.00 176.35 179.91 1wxl n LYS 47 N 1.56 2.83 -0.00 1.98 -0.00 -1.26 -3.42 118.16 119.85 1wxl n LYS 47 Ca -0.16 -1.84 0.10 0.00 -0.00 0.00 0.00 58.31 56.41 1wxl n LYS 47 Cb 0.52 -1.70 -0.12 0.00 -0.00 0.00 0.00 35.03 33.73 1wxl n LYS 47 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1wxl n ASP 48 N 0.61 0.84 0.13 -5.58 8.00 -1.26 -4.15 116.55 115.13 1wxl n ASP 48 Ca 0.17 -0.83 0.02 0.00 0.71 0.00 0.00 54.79 54.86 1wxl n ASP 48 Cb 0.64 1.15 0.01 0.00 -0.02 0.00 0.00 41.12 42.90 1wxl n ASP 48 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1wxl h LYS 49 N 0.00 0.00 -0.01 -1.24 3.11 -1.88 0.27 116.57 116.82 1wxl h LYS 49 Ca 0.00 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.75 1wxl h LYS 49 Cb 0.56 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.78 1wxl h LYS 49 CO 0.00 0.48 -0.42 1.03 -2.81 0.00 0.00 179.45 177.73 1wxl h SER 50 N 0.00 0.02 0.52 4.20 0.87 -1.78 1.72 113.55 119.10 1wxl h SER 50 Ca -0.02 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 1wxl h SER 50 Cb 1.41 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.37 1wxl h SER 50 CO 0.06 0.43 -1.49 2.29 -0.53 0.00 0.00 176.83 177.60 1wxl n LYS 51 N -4.04 0.63 -0.12 2.24 2.85 -1.16 -4.23 118.16 114.33 1wxl n LYS 51 Ca -0.02 -0.02 -0.21 0.00 -1.05 0.00 0.00 58.31 57.01 1wxl n LYS 51 Cb 0.45 -1.68 -0.12 0.00 -0.65 0.00 0.00 35.03 33.03 1wxl n LYS 51 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 1wxl n TRP 52 N -2.50 0.17 -0.34 5.58 5.03 0.94 -4.20 117.44 122.12 1wxl n TRP 52 Ca -0.03 0.04 0.16 0.00 3.03 0.00 0.00 57.50 60.71 1wxl n TRP 52 Cb 0.58 -1.02 0.38 0.00 -1.03 0.00 0.00 31.31 30.22 1wxl n TRP 52 CO 0.00 0.00 0.00 1.05 -0.03 0.00 0.00 177.69 178.71 1wxl h GLU 53 N -0.25 0.61 -0.17 -0.99 4.11 0.24 0.48 114.58 118.62 1wxl h GLU 53 Ca -0.58 -0.04 -0.08 0.00 0.07 0.00 0.00 59.36 58.73 1wxl h GLU 53 Cb 1.83 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.93 1wxl h GLU 53 CO -0.15 0.41 -0.25 -0.44 0.07 0.00 0.00 179.01 178.64 1wxl h ASP 54 N 0.63 0.30 -0.69 3.06 3.32 -1.74 -2.30 116.42 119.01 1wxl h ASP 54 Ca 0.59 -0.09 0.08 0.00 0.02 0.00 0.00 57.03 57.63 1wxl h ASP 54 Cb 1.10 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 40.51 1wxl h ASP 54 CO -0.38 0.56 0.36 0.00 -1.72 0.00 0.00 179.24 178.06 1wxl h ALA 55 N 1.46 0.94 0.24 3.45 0.00 -0.20 0.37 119.26 125.53 1wxl h ALA 55 Ca 0.04 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1wxl h ALA 55 Cb 0.60 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1wxl h ALA 55 CO 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 179.25 179.14 1wxl h ALA 56 N 1.39 -0.38 0.00 0.00 0.00 -1.21 0.85 119.26 119.92 1wxl h ALA 56 Ca 0.33 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 1wxl h ALA 56 Cb 0.28 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1wxl h ALA 56 CO -0.23 -0.72 -0.44 0.00 0.00 0.00 0.00 179.25 177.86 1wxl h ALA 57 N 0.35 1.07 0.10 0.00 0.00 -1.32 0.14 119.26 119.60 1wxl h ALA 57 Ca -0.02 -0.40 -0.27 0.00 0.00 0.00 0.00 54.91 54.22 1wxl h ALA 57 Cb 0.33 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.06 1wxl h ALA 57 CO 0.01 0.56 -1.18 1.57 0.00 0.00 0.00 179.25 180.21 1wxl h LYS 58 N 0.00 0.36 0.11 0.00 2.10 -0.01 -2.92 116.57 116.21 1wxl h LYS 58 Ca -0.00 -0.53 -0.27 0.00 -2.00 0.00 0.00 60.65 57.85 1wxl h LYS 58 Cb 0.90 0.18 0.01 0.00 -0.90 0.00 0.00 32.23 32.42 1wxl h LYS 58 CO 0.06 1.22 -1.20 -0.44 -2.00 0.00 0.00 179.45 177.08 1wxl h ASP 59 N 0.14 0.45 -0.76 7.07 5.19 0.88 0.16 116.42 129.55 1wxl h ASP 59 Ca -0.13 -0.46 -0.05 0.00 -0.62 0.00 0.00 57.03 55.76 1wxl h ASP 59 Cb 1.87 -0.15 -0.03 0.00 0.18 0.00 0.00 39.33 41.20 1wxl h ASP 59 CO 0.20 1.34 0.28 0.50 -3.12 0.00 0.00 179.24 178.45 1wxl h LYS 60 N 0.10 1.15 0.10 3.56 1.63 -0.80 0.33 116.57 122.64 1wxl h LYS 60 Ca -0.13 -0.22 -0.23 0.00 -0.85 0.00 0.00 60.65 59.22 1wxl h LYS 60 Cb 1.92 -0.18 0.02 0.00 -0.60 0.00 0.00 32.23 33.39 1wxl h LYS 60 CO 0.20 0.95 -0.95 1.96 -3.45 0.00 0.00 179.45 178.16 1wxl h GLN 61 N 1.11 0.46 0.00 1.90 4.20 -1.55 -1.91 115.11 119.32 1wxl h GLN 61 Ca 0.25 -0.64 0.00 0.00 0.06 0.00 0.00 58.65 58.33 1wxl h GLN 61 Cb 0.25 0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1wxl h GLN 61 CO -0.02 1.27 0.00 -0.09 -0.67 0.00 0.00 178.83 179.32 1wxl h ARG 62 N -0.03 0.00 0.01 1.46 2.43 -0.50 0.20 114.38 117.95 1wxl h ARG 62 Ca -0.15 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 58.80 1wxl h ARG 62 Cb 1.68 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 31.20 1wxl h ARG 62 CO 0.18 0.00 -1.22 1.88 -1.51 0.00 0.00 179.97 179.30 1wxl h TYR 63 N 0.00 0.04 0.00 2.20 -1.99 -0.33 -3.32 116.97 113.57 1wxl h TYR 63 Ca 0.00 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.70 1wxl h TYR 63 Cb 0.47 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.20 1wxl h TYR 63 CO 0.00 1.48 0.00 -2.39 -0.00 0.00 0.00 178.16 177.25 1wxl n HIS 64 N -4.37 0.64 0.85 4.88 1.44 -0.72 0.37 115.22 118.30 1wxl n HIS 64 Ca -0.30 0.23 0.13 0.00 -2.01 0.00 0.00 57.72 55.77 1wxl n HIS 64 Cb 0.70 -0.88 0.54 0.00 0.12 0.00 0.00 29.99 30.47 1wxl n HIS 64 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1wxl n ASP 65 N -2.06 0.18 0.00 4.39 8.00 0.70 -4.21 116.55 123.55 1wxl n ASP 65 Ca 0.03 0.52 0.00 0.00 0.71 0.00 0.00 54.79 56.05 1wxl n ASP 65 Cb 0.26 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 1wxl n ASP 65 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1wxl n GLU 66 N -1.67 0.00 -0.48 -1.24 0.28 -0.94 -4.91 120.64 111.67 1wxl n GLU 66 Ca 0.06 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.14 1wxl n GLU 66 Cb 0.33 0.00 0.28 0.00 1.43 0.00 0.00 31.44 33.48 1wxl n GLU 66 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1wxl n MET 67 N -0.65 3.33 -0.37 3.44 2.81 0.56 -4.58 117.12 121.66 1wxl n MET 67 Ca 0.00 -2.74 -0.03 0.00 -1.81 0.00 0.00 57.70 53.13 1wxl n MET 67 Cb 0.00 -1.80 0.01 0.00 -0.71 0.00 0.00 33.22 30.73 1wxl n MET 67 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 1wxl n ARG 68 N 0.13 -0.26 -0.22 0.03 0.00 1.17 -1.37 116.66 116.14 1wxl n ARG 68 Ca 0.21 1.45 0.09 0.00 -0.00 0.00 0.00 57.85 59.60 1wxl n ARG 68 Cb 0.84 -2.15 0.16 0.00 -0.00 0.00 0.00 32.46 31.31 1wxl n ARG 68 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1wxl n ASN 69 N -5.36 2.20 -3.36 2.89 2.04 -1.26 -4.80 115.26 107.62 1wxl n ASN 69 Ca 0.08 -3.31 -0.37 0.00 -0.44 0.00 0.00 54.58 50.54 1wxl n ASN 69 Cb 0.36 -0.46 -0.02 0.00 -2.53 0.00 0.00 39.78 37.12 1wxl n ASN 69 CO 0.00 0.00 0.00 -1.22 -0.44 0.00 0.00 177.26 175.60 1wxl n TYR 70 N -1.34 2.44 -3.23 -2.53 4.02 -0.47 -4.92 117.16 111.12 1wxl n TYR 70 Ca 0.17 -2.91 -0.35 0.00 -0.01 0.00 0.00 57.90 54.79 1wxl n TYR 70 Cb 0.66 -2.39 -0.06 0.00 -0.02 0.00 0.00 39.34 37.53 1wxl n TYR 70 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 176.86 174.26 1wxl s LYS 71 N 2.54 4.10 -0.89 -0.72 -2.85 -1.26 -4.12 119.74 116.54 1wxl s LYS 71 Ca 0.63 0.66 -0.25 0.00 -1.00 0.00 0.00 55.97 56.01 1wxl s LYS 71 Cb 0.16 -2.88 -0.00 0.00 -2.06 0.00 0.00 37.83 33.05 1wxl s LYS 71 CO -0.06 0.42 1.69 -1.25 0.10 0.00 0.00 175.35 176.26 1wxl s PRO 72 N -2.03 2.99 -0.22 1.78 0.04 -1.26 -4.90 135.00 131.40 1wxl s PRO 72 Ca 0.41 -0.45 -0.27 0.00 0.04 0.00 0.00 61.00 60.74 1wxl s PRO 72 Cb -0.15 -4.97 0.09 0.00 0.04 0.00 0.00 34.50 29.50 1wxl s PRO 72 CO 0.20 -2.75 0.83 -1.21 0.04 0.00 0.00 177.00 174.10 1wxl s GLU 73 N 6.18 0.76 0.00 4.56 2.02 -1.26 -5.18 118.70 125.78 1wxl s GLU 73 Ca 0.58 0.66 0.27 0.00 0.02 0.00 0.00 54.97 56.49 1wxl s GLU 73 Cb -0.05 0.37 1.61 0.00 0.10 0.00 0.00 34.13 36.15 1wxl s GLU 73 CO 0.01 -0.14 1.95 0.00 0.02 0.00 0.00 175.26 177.10