#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 -4.43 -1.73 1.43 -0.00 -1.26 -4.90 115.22 104.33 1wxl n HIS 3 Ca 0.00 2.65 -0.38 0.00 -0.00 0.00 0.00 57.72 59.99 1wxl n HIS 3 Cb 0.00 -3.51 0.06 0.00 -0.00 0.00 0.00 29.99 26.54 1wxl n HIS 3 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 1wxl n MET 4 N 1.60 1.31 -1.36 1.57 2.81 -1.26 -4.94 117.12 116.85 1wxl n MET 4 Ca 0.00 0.50 -0.36 0.00 -1.81 0.00 0.00 57.70 56.03 1wxl n MET 4 Cb 0.00 -2.55 0.08 0.00 -0.71 0.00 0.00 33.22 30.04 1wxl n MET 4 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 1wxl n PRO 5 N -1.60 0.48 0.00 0.03 -0.02 -1.26 -5.04 135.00 127.59 1wxl n PRO 5 Ca 0.14 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1wxl n PRO 5 Cb 0.47 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 1wxl n PRO 5 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1wxl n LYS 6 N -1.33 3.44 -0.86 -0.52 4.81 -1.26 -5.01 118.16 117.43 1wxl n LYS 6 Ca 0.12 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.55 1wxl n LYS 6 Cb 0.49 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.52 1wxl n LYS 6 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1wxl n ARG 7 N 0.00 0.00 0.00 1.64 5.12 -1.26 -4.58 116.66 117.58 1wxl n ARG 7 Ca 0.00 -0.88 0.00 0.00 -1.93 0.00 0.00 57.85 55.04 1wxl n ARG 7 Cb 0.00 0.08 0.00 0.00 -1.16 0.00 0.00 32.46 31.38 1wxl n ARG 7 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wxl n ALA 8 N 0.09 0.00 -2.37 7.54 0.00 -1.26 -4.50 120.51 120.01 1wxl n ALA 8 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.04 1wxl n ALA 8 Cb 0.72 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 20.03 1wxl n ALA 8 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1wxl s THR 9 N -1.81 2.38 0.63 0.00 2.01 -1.26 -4.94 115.64 112.65 1wxl s THR 9 Ca 0.00 -1.02 -0.16 0.00 0.31 0.00 0.00 61.69 60.82 1wxl s THR 9 Cb 0.00 -1.87 -0.01 0.00 0.01 0.00 0.00 72.50 70.62 1wxl s THR 9 CO 0.00 0.56 1.12 0.42 -0.69 0.00 0.00 174.62 176.03 1wxl s THR 10 N -0.67 3.15 0.28 -0.82 -4.23 -1.26 -3.76 115.64 108.32 1wxl s THR 10 Ca 0.11 0.59 0.00 0.00 -1.18 0.00 0.00 61.69 61.21 1wxl s THR 10 Cb -0.10 -3.13 0.32 0.00 1.34 0.00 0.00 72.50 70.93 1wxl s THR 10 CO -0.00 -0.28 1.63 0.00 -0.54 0.00 0.00 174.62 175.43 1wxl h ALA 11 N 0.35 1.17 -0.10 3.99 0.00 -1.86 1.37 119.26 124.19 1wxl h ALA 11 Ca -0.48 0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 1wxl h ALA 11 Cb 1.26 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 1wxl h ALA 11 CO 0.55 -0.48 -0.38 0.35 0.00 0.00 0.00 179.25 179.28 1wxl h PHE 12 N 0.15 0.24 0.00 0.00 3.57 -1.93 -2.56 116.94 116.41 1wxl h PHE 12 Ca 0.54 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.98 1wxl h PHE 12 Cb 1.07 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.76 1wxl h PHE 12 CO -0.33 0.56 -0.00 0.52 -2.23 0.00 0.00 178.31 176.83 1wxl h MET 13 N 0.18 0.00 -0.86 1.11 2.86 0.10 -1.60 114.93 116.72 1wxl h MET 13 Ca 0.02 0.00 0.25 0.00 -2.06 0.00 0.00 59.70 57.91 1wxl h MET 13 Cb 0.75 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.38 1wxl h MET 13 CO 0.06 0.00 0.64 1.37 1.06 0.00 0.00 176.91 180.04 1wxl h LEU 14 N -0.65 0.00 0.16 1.22 -0.00 0.66 1.00 115.31 117.69 1wxl h LEU 14 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.88 57.57 1wxl h LEU 14 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.67 1wxl h LEU 14 CO 0.00 0.00 -1.57 -0.25 -0.00 0.00 0.00 178.44 176.62 1wxl h TRP 15 N 0.00 0.60 0.00 0.17 7.01 -1.59 -3.18 115.95 118.96 1wxl h TRP 15 Ca 0.41 -0.44 0.00 0.00 2.11 0.00 0.00 58.89 60.97 1wxl h TRP 15 Cb 1.69 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 28.73 1wxl h TRP 15 CO 0.00 1.61 0.00 1.25 -2.79 0.00 0.00 178.44 178.51 1wxl h LEU 16 N -0.09 0.00 0.13 0.65 5.85 0.18 0.62 115.31 122.65 1wxl h LEU 16 Ca -0.32 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 1wxl h LEU 16 Cb 1.94 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.97 1wxl h LEU 16 CO 0.13 0.00 -0.06 -1.13 -0.34 0.00 0.00 178.44 177.03 1wxl h ASN 17 N 0.00 -0.15 0.84 1.25 -0.73 0.89 5.56 115.58 123.24 1wxl h ASN 17 Ca 0.00 -0.39 -0.10 0.00 1.87 0.00 0.00 56.30 57.68 1wxl h ASN 17 Cb 0.21 0.04 -0.01 0.00 0.27 0.00 0.00 38.32 38.82 1wxl h ASN 17 CO 0.00 0.37 -0.47 0.44 -0.37 0.00 0.00 177.43 177.40 1wxl h ASP 18 N -0.73 0.00 0.00 1.15 3.32 -1.38 -3.20 116.42 115.58 1wxl h ASP 18 Ca -0.02 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.91 1wxl h ASP 18 Cb 0.53 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 1wxl h ASP 18 CO 0.03 0.47 -2.04 0.41 -1.72 0.00 0.00 179.24 176.39 1wxl n THR 19 N -3.58 0.44 -0.18 0.35 -1.04 0.21 -4.02 114.28 106.46 1wxl n THR 19 Ca -0.00 -0.57 0.09 0.00 -2.04 0.00 0.00 64.05 61.53 1wxl n THR 19 Cb 0.57 -0.15 0.40 0.00 -1.82 0.00 0.00 70.33 69.33 1wxl n THR 19 CO 0.00 0.00 0.00 0.08 -0.64 0.00 0.00 175.07 174.51 1wxl h ARG 20 N 0.00 0.63 -0.75 -2.82 0.11 1.13 1.73 114.38 114.41 1wxl h ARG 20 Ca -0.18 -0.04 -0.04 0.00 0.10 0.00 0.00 59.98 59.82 1wxl h ARG 20 Cb 1.34 -0.14 -0.03 0.00 1.11 0.00 0.00 29.97 32.25 1wxl h ARG 20 CO 0.01 0.42 0.30 1.49 0.10 0.00 0.00 179.97 182.29 1wxl h GLU 21 N 0.65 1.12 0.00 0.08 4.81 -1.70 -1.34 114.58 118.20 1wxl h GLU 21 Ca 0.34 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1wxl h GLU 21 Cb 0.47 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1wxl h GLU 21 CO -0.12 0.91 0.00 1.03 -0.73 0.00 0.00 179.01 180.10 1wxl h SER 22 N 1.08 0.00 0.12 1.04 0.87 0.21 -2.88 113.55 113.98 1wxl h SER 22 Ca 0.25 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.55 1wxl h SER 22 Cb 0.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1wxl h SER 22 CO -0.02 0.00 -1.28 0.40 -0.53 0.00 0.00 176.83 175.40 1wxl h ILE 23 N 0.00 1.13 0.00 2.23 2.04 0.15 -2.59 117.51 120.46 1wxl h ILE 23 Ca 0.00 -2.42 -0.08 0.00 1.00 0.00 0.00 64.86 63.36 1wxl h ILE 23 Cb 0.44 2.80 -0.01 0.00 -0.74 0.00 0.00 36.82 39.31 1wxl h ILE 23 CO 0.00 0.70 -0.38 0.50 0.00 0.00 0.00 178.15 178.96 1wxl h LYS 24 N -0.34 0.00 -0.12 2.37 1.63 -1.36 0.77 116.57 119.52 1wxl h LYS 24 Ca -0.27 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.45 1wxl h LYS 24 Cb 1.72 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.35 1wxl h LYS 24 CO 0.07 0.38 -0.23 0.00 -3.45 0.00 0.00 179.45 176.22 1wxl h ARG 25 N 0.00 0.36 0.00 1.90 3.08 -1.63 0.25 114.38 118.35 1wxl h ARG 25 Ca -0.00 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.81 1wxl h ARG 25 Cb 0.68 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1wxl h ARG 25 CO 0.05 0.83 0.00 0.93 -1.07 0.00 0.00 179.97 180.71 1wxl h GLU 26 N -0.06 0.00 -1.95 0.04 4.39 -1.04 -3.29 114.58 112.66 1wxl h GLU 26 Ca 0.00 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.19 1wxl h GLU 26 Cb 0.82 0.00 -0.34 0.00 -0.10 0.00 0.00 28.75 29.12 1wxl h GLU 26 CO 0.05 0.00 -0.94 0.09 -1.16 0.00 0.00 179.01 177.05 1wxl n ASN 27 N -2.33 -0.75 -1.79 1.42 5.03 0.26 -5.02 115.26 112.08 1wxl n ASN 27 Ca 0.02 -2.59 -0.03 0.00 0.87 0.00 0.00 54.58 52.85 1wxl n ASN 27 Cb 0.22 -0.18 -0.04 0.00 -1.02 0.00 0.00 39.78 38.77 1wxl n ASN 27 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 1wxl n PRO 28 N 2.31 0.96 -0.35 3.52 -0.04 0.84 -2.93 135.00 139.32 1wxl n PRO 28 Ca 0.24 -0.23 -0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1wxl n PRO 28 Cb 0.51 -1.36 -0.00 0.00 -0.04 0.00 0.00 33.50 32.61 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 1.95 0.55 0.00 0.55 0.00 -1.26 -5.09 105.19 101.89 1wxl n GLY 29 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.80 -0.61 -5.35 -1.15 -5.14 119.36 103.31 1wxl n ILE 30 Ca -0.02 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.34 1wxl n ILE 30 Cb 0.32 -0.01 -0.09 0.00 -1.74 0.00 0.00 39.64 38.12 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 2.83 0.58 0.31 6.28 -2.85 -1.26 -5.00 119.74 120.63 1wxl s LYS 31 Ca 0.00 -0.24 0.23 0.00 -1.00 0.00 0.00 55.97 54.96 1wxl s LYS 31 Cb 0.00 0.25 1.06 0.00 -2.06 0.00 0.00 37.83 37.09 1wxl s LYS 31 CO 0.00 -0.15 1.11 1.55 0.10 0.00 0.00 175.35 177.96 1wxl n VAL 32 N 1.42 -0.17 0.13 1.79 3.14 -1.26 0.23 118.33 123.60 1wxl n VAL 32 Ca -0.22 1.27 0.08 0.00 -2.96 0.00 0.00 64.34 62.51 1wxl n VAL 32 Cb 0.56 -2.09 0.03 0.00 -1.06 0.00 0.00 33.84 31.28 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 0.26 -0.07 1.55 1.35 -2.00 -3.29 112.91 110.71 1wxl h THR 33 Ca 0.63 -1.43 -0.18 0.00 -0.55 0.00 0.00 66.41 64.88 1wxl h THR 33 Cb 2.03 1.91 -0.01 0.00 -1.73 0.00 0.00 68.15 70.35 1wxl h THR 33 CO -0.32 0.15 -0.72 -0.08 -0.25 0.00 0.00 175.52 174.29 1wxl h GLU 34 N 0.00 0.37 -0.77 4.72 4.81 0.25 -2.69 114.58 121.27 1wxl h GLU 34 Ca -0.03 -0.30 -0.01 0.00 -0.13 0.00 0.00 59.36 58.89 1wxl h GLU 34 Cb 1.19 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.60 1wxl h GLU 34 CO 0.02 0.94 0.45 0.82 -0.73 0.00 0.00 179.01 180.52 1wxl h ILE 35 N 0.25 1.22 0.00 2.32 2.04 -1.54 0.30 117.51 122.10 1wxl h ILE 35 Ca -0.03 -0.51 -0.06 0.00 1.00 0.00 0.00 64.86 65.27 1wxl h ILE 35 Cb 1.29 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1wxl h ILE 35 CO 0.12 0.23 -0.27 0.00 0.00 0.00 0.00 178.15 178.24 1wxl h ALA 36 N 1.24 1.15 0.00 1.87 0.00 -1.59 -1.77 119.26 120.16 1wxl h ALA 36 Ca 0.27 -0.24 -0.21 0.00 0.00 0.00 0.00 54.91 54.73 1wxl h ALA 36 Cb -0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1wxl h ALA 36 CO -0.05 0.34 -1.31 1.17 0.00 0.00 0.00 179.25 179.40 1wxl n LYS 37 N -3.63 0.54 0.02 0.00 4.81 -0.76 -3.60 118.16 115.54 1wxl n LYS 37 Ca -0.01 0.50 0.07 0.00 -0.87 0.00 0.00 58.31 57.99 1wxl n LYS 37 Cb 0.39 -1.68 0.29 0.00 0.02 0.00 0.00 35.03 34.06 1wxl n LYS 37 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1wxl n LYS 38 N -4.44 0.03 -0.01 1.64 -0.00 0.97 -2.48 118.16 113.86 1wxl n LYS 38 Ca -0.30 0.31 -0.21 0.00 -0.00 0.00 0.00 58.31 58.12 1wxl n LYS 38 Cb 0.62 -1.55 -0.13 0.00 -0.00 0.00 0.00 35.03 33.96 1wxl n LYS 38 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1wxl h GLY 39 N 2.07 0.22 0.46 2.58 0.00 -1.48 -3.31 103.07 103.61 1wxl h GLY 39 Ca 0.00 -0.57 0.09 0.00 0.00 0.00 0.00 47.33 46.85 1wxl h GLY 39 CO 0.00 0.50 0.34 -1.33 0.00 0.00 0.00 176.54 176.05 1wxl h GLY 40 N -0.18 1.04 0.36 4.60 0.00 -1.54 1.03 103.07 108.37 1wxl h GLY 40 Ca -0.27 -0.21 0.09 0.00 0.00 0.00 0.00 47.33 46.94 1wxl h GLY 40 CO 0.03 0.05 0.13 1.05 0.00 0.00 0.00 176.54 177.80 1wxl h GLU 41 N 0.58 0.27 -0.04 4.80 4.11 -1.68 0.15 114.58 122.77 1wxl h GLU 41 Ca 0.34 -0.02 -0.23 0.00 0.07 0.00 0.00 59.36 59.52 1wxl h GLU 41 Cb 0.37 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.57 1wxl h GLU 41 CO -0.27 0.18 -0.92 0.00 0.07 0.00 0.00 179.01 178.06 1wxl h MET 42 N 0.28 0.58 -0.03 1.06 -0.00 -1.36 -3.28 114.93 112.18 1wxl h MET 42 Ca 0.27 -0.57 0.02 0.00 -0.00 0.00 0.00 59.70 59.41 1wxl h MET 42 Cb 0.35 0.15 -0.02 0.00 -0.00 0.00 0.00 31.60 32.08 1wxl h MET 42 CO -0.32 1.19 -0.07 2.35 -0.00 0.00 0.00 176.91 180.06 1wxl h TRP 43 N 0.35 -0.18 -0.07 -0.10 2.91 0.18 -1.02 115.95 118.03 1wxl h TRP 43 Ca -0.09 0.01 0.02 0.00 1.13 0.00 0.00 58.89 59.96 1wxl h TRP 43 Cb 1.56 0.09 -0.00 0.00 -0.51 0.00 0.00 29.16 30.29 1wxl h TRP 43 CO 0.08 -0.11 0.15 0.87 -1.03 0.00 0.00 178.44 178.39 1wxl h LYS 44 N -0.12 0.00 -1.02 2.65 1.57 -0.82 -1.77 116.57 117.07 1wxl h LYS 44 Ca 0.04 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.24 1wxl h LYS 44 Cb 0.17 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.07 1wxl h LYS 44 CO -0.10 0.00 -0.62 -0.85 -0.57 0.00 0.00 179.45 177.32 1wxl n GLU 45 N -3.35 3.47 -4.40 3.15 0.28 -0.44 -5.02 120.64 114.34 1wxl n GLU 45 Ca -0.01 -4.18 -0.19 0.00 -0.16 0.00 0.00 57.16 52.62 1wxl n GLU 45 Cb 0.23 -2.27 -0.15 0.00 1.43 0.00 0.00 31.44 30.69 1wxl n GLU 45 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1wxl s LEU 46 N -3.62 2.04 -0.08 -1.84 0.20 -0.67 -4.97 118.68 109.74 1wxl s LEU 46 Ca 0.51 -0.21 0.10 0.00 0.69 0.00 0.00 54.13 55.22 1wxl s LEU 46 Cb 0.42 -0.50 0.43 0.00 -0.43 0.00 0.00 46.19 46.10 1wxl s LEU 46 CO -0.04 0.11 1.24 0.29 -0.29 0.00 0.00 176.35 177.66 1wxl n LYS 47 N 2.74 2.74 -0.00 1.98 4.01 -1.26 -3.20 118.16 125.16 1wxl n LYS 47 Ca -0.14 -1.67 0.10 0.00 -0.51 0.00 0.00 58.31 56.08 1wxl n LYS 47 Cb 0.56 -1.71 -0.13 0.00 -0.51 0.00 0.00 35.03 33.25 1wxl n LYS 47 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1wxl n ASP 48 N 0.49 0.75 0.18 4.39 -0.08 -1.26 -4.07 116.55 116.94 1wxl n ASP 48 Ca 0.15 -0.69 0.06 0.00 -1.51 0.00 0.00 54.79 52.80 1wxl n ASP 48 Cb 0.62 1.28 0.21 0.00 2.34 0.00 0.00 41.12 45.57 1wxl n ASP 48 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1wxl h LYS 49 N 0.00 0.00 0.00 -0.67 3.11 -1.85 0.81 116.57 117.97 1wxl h LYS 49 Ca 0.00 0.00 -0.10 0.00 -2.81 0.00 0.00 60.65 57.74 1wxl h LYS 49 Cb 0.61 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.83 1wxl h LYS 49 CO 0.00 0.37 -0.49 0.77 -2.81 0.00 0.00 179.45 177.29 1wxl h SER 50 N 0.00 0.00 0.40 4.20 0.02 -1.77 1.32 113.55 117.71 1wxl h SER 50 Ca -0.00 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.78 1wxl h SER 50 Cb 1.10 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.61 1wxl h SER 50 CO 0.05 0.49 -1.75 2.29 -1.14 0.00 0.00 176.83 176.76 1wxl n LYS 51 N -3.82 0.64 -0.08 3.45 2.85 -0.95 -4.01 118.16 116.24 1wxl n LYS 51 Ca -0.01 0.07 -0.20 0.00 -1.05 0.00 0.00 58.31 57.11 1wxl n LYS 51 Cb 0.52 -1.68 -0.13 0.00 -0.65 0.00 0.00 35.03 33.10 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 -2.70 0.52 0.09 5.58 8.01 0.28 -4.04 117.44 125.18 1wxl n TRP 52 Ca -0.13 0.12 0.13 0.00 -1.31 0.00 0.00 57.50 56.30 1wxl n TRP 52 Cb 0.83 -1.07 0.61 0.00 -2.01 0.00 0.00 31.31 29.68 1wxl n TRP 52 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.69 177.73 1wxl h GLU 53 N -0.07 0.12 0.00 -0.99 4.11 0.15 0.34 114.58 118.24 1wxl h GLU 53 Ca -0.52 -0.01 -0.08 0.00 0.07 0.00 0.00 59.36 58.83 1wxl h GLU 53 Cb 1.91 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.12 1wxl h GLU 53 CO -0.05 0.08 -0.37 0.22 0.07 0.00 0.00 179.01 178.96 1wxl h ASP 54 N 0.12 0.00 -0.82 3.06 1.82 -1.70 -2.20 116.42 116.70 1wxl h ASP 54 Ca 0.15 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.75 1wxl h ASP 54 Cb 0.44 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.41 1wxl h ASP 54 CO -0.02 0.37 0.36 0.00 -1.61 0.00 0.00 179.24 178.34 1wxl h ALA 55 N 1.63 1.07 -0.29 -0.78 0.00 -0.46 0.34 119.26 120.76 1wxl h ALA 55 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1wxl h ALA 55 Cb 0.74 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1wxl h ALA 55 CO 0.05 0.66 0.18 0.00 0.00 0.00 0.00 179.25 180.14 1wxl h ALA 56 N 1.20 0.37 0.00 0.00 0.00 -1.24 1.86 119.26 121.44 1wxl h ALA 56 Ca 0.28 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 1wxl h ALA 56 Cb 0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1wxl h ALA 56 CO -0.03 -0.14 -0.49 0.00 0.00 0.00 0.00 179.25 178.59 1wxl h ALA 57 N 1.08 0.81 0.16 0.00 0.00 -1.27 0.15 119.26 120.20 1wxl h ALA 57 Ca 0.11 -0.45 -0.31 0.00 0.00 0.00 0.00 54.91 54.26 1wxl h ALA 57 Cb -0.01 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.71 1wxl h ALA 57 CO -0.02 0.61 -1.47 1.57 0.00 0.00 0.00 179.25 179.95 1wxl h LYS 58 N 0.00 0.33 0.01 0.00 2.10 0.06 -3.12 116.57 115.95 1wxl h LYS 58 Ca -0.00 -0.57 -0.22 0.00 -2.00 0.00 0.00 60.65 57.86 1wxl h LYS 58 Cb 1.17 0.21 -0.00 0.00 -0.90 0.00 0.00 32.23 32.70 1wxl h LYS 58 CO 0.06 1.23 -0.93 -0.44 -2.00 0.00 0.00 179.45 177.37 1wxl h ASP 59 N 0.09 0.38 -0.75 7.07 5.19 0.29 0.17 116.42 128.86 1wxl h ASP 59 Ca -0.23 -0.32 -0.01 0.00 -0.62 0.00 0.00 57.03 55.86 1wxl h ASP 59 Cb 2.05 -0.12 -0.04 0.00 0.18 0.00 0.00 39.33 41.40 1wxl h ASP 59 CO 0.20 1.13 0.43 0.50 -3.12 0.00 0.00 179.24 178.38 1wxl h LYS 60 N 0.15 1.05 0.13 3.56 3.11 -0.78 0.41 116.57 124.20 1wxl h LYS 60 Ca -0.07 -0.11 -0.20 0.00 -2.81 0.00 0.00 60.65 57.46 1wxl h LYS 60 Cb 1.57 -0.21 0.01 0.00 -1.00 0.00 0.00 32.23 32.60 1wxl h LYS 60 CO 0.15 0.76 -0.95 0.37 -2.81 0.00 0.00 179.45 176.97 1wxl h GLN 61 N 1.06 0.27 0.00 1.90 5.75 -1.49 -2.25 115.11 120.34 1wxl h GLN 61 Ca 0.27 -0.46 -0.02 0.00 -0.15 0.00 0.00 58.65 58.30 1wxl h GLN 61 Cb 0.00 0.17 -0.00 0.00 1.07 0.00 0.00 27.48 28.72 1wxl h GLN 61 CO -0.05 1.22 -0.09 -0.09 -2.65 0.00 0.00 178.83 177.18 1wxl h ARG 62 N -0.39 0.00 0.01 1.69 2.43 -0.47 -0.01 114.38 117.64 1wxl h ARG 62 Ca -0.18 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.74 1wxl h ARG 62 Cb 1.64 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 31.16 1wxl h ARG 62 CO 0.11 0.09 -1.36 0.66 -1.51 0.00 0.00 179.97 177.96 1wxl n TYR 63 N -3.24 1.03 0.30 2.20 4.02 0.14 -3.19 117.16 118.42 1wxl n TYR 63 Ca 0.00 0.42 0.18 0.00 -0.01 0.00 0.00 57.90 58.49 1wxl n TYR 63 Cb 0.34 -1.11 0.91 0.00 -0.02 0.00 0.00 39.34 39.46 1wxl n TYR 63 CO 0.00 0.00 0.00 1.12 -1.01 0.00 0.00 176.86 176.97 1wxl h HIS 64 N -0.89 0.00 0.00 -0.72 2.07 -1.42 3.15 115.15 117.34 1wxl h HIS 64 Ca -0.36 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.16 1wxl h HIS 64 Cb 1.39 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.37 1wxl h HIS 64 CO 0.09 0.03 -0.13 -3.47 -3.07 0.00 0.00 177.93 171.39 1wxl n ASP 65 N -3.24 0.47 0.00 3.10 2.03 -0.02 -1.41 116.55 117.48 1wxl n ASP 65 Ca -0.01 0.41 0.00 0.00 0.52 0.00 0.00 54.79 55.71 1wxl n ASP 65 Cb 0.20 -0.46 0.00 0.00 -0.72 0.00 0.00 41.12 40.13 1wxl n ASP 65 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1wxl n GLU 66 N -1.89 0.00 -0.01 -0.67 -0.58 -0.06 -4.44 120.64 113.00 1wxl n GLU 66 Ca 0.06 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.63 1wxl n GLU 66 Cb 0.39 -0.78 -0.13 0.00 -0.57 0.00 0.00 31.44 30.35 1wxl n GLU 66 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 1wxl h MET 67 N 0.00 0.18 0.07 3.49 2.86 0.55 -2.80 114.93 119.28 1wxl h MET 67 Ca 0.00 -0.25 -0.00 0.00 -2.06 0.00 0.00 59.70 57.38 1wxl h MET 67 Cb 0.84 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.59 1wxl h MET 67 CO 0.00 1.06 -0.03 -0.09 1.06 0.00 0.00 176.91 178.91 1wxl h ARG 68 N -0.58 -0.09 -0.37 1.72 2.43 -1.10 -3.25 114.38 113.14 1wxl h ARG 68 Ca -0.06 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.16 1wxl h ARG 68 Cb 1.23 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.73 1wxl h ARG 68 CO 0.07 0.38 -0.51 -2.95 -1.51 0.00 0.00 179.97 175.46 1wxl h ASN 69 N -0.62 -1.70 -1.34 -3.80 7.08 -1.39 0.55 115.58 114.35 1wxl h ASN 69 Ca -0.01 0.22 0.45 0.00 -3.08 0.00 0.00 56.30 53.88 1wxl h ASN 69 Cb 0.52 0.70 -0.12 0.00 -2.08 0.00 0.00 38.32 37.34 1wxl h ASN 69 CO 0.02 -0.37 0.88 0.00 -2.08 0.00 0.00 177.43 175.88 1wxl n TYR 70 N -5.14 0.53 0.00 4.14 4.19 -1.05 -4.61 117.16 115.22 1wxl n TYR 70 Ca -0.03 0.54 0.00 0.00 3.31 0.00 0.00 57.90 61.71 1wxl n TYR 70 Cb 0.31 -0.96 0.00 0.00 0.49 0.00 0.00 39.34 39.18 1wxl n TYR 70 CO 0.00 0.00 0.00 1.17 0.91 0.00 0.00 176.86 178.94 1wxl n LYS 71 N -4.39 0.00 0.15 2.98 0.00 0.19 -5.03 118.16 112.06 1wxl n LYS 71 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.69 1wxl n LYS 71 Cb 1.49 0.00 0.28 0.00 0.00 0.00 0.00 35.03 36.80 1wxl n LYS 71 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 1wxl h PRO 72 N 0.00 0.08 -1.51 1.64 0.13 -1.81 -3.39 132.00 127.14 1wxl h PRO 72 Ca 0.00 -0.04 0.09 0.00 -0.87 0.00 0.00 66.00 65.18 1wxl h PRO 72 Cb 0.00 -0.00 -0.26 0.00 0.13 0.00 0.00 31.00 30.87 1wxl h PRO 72 CO 0.00 0.49 0.54 -1.83 -0.23 0.00 0.00 178.00 176.97 1wxl s GLU 73 N -4.09 0.46 0.00 0.86 4.04 -1.26 -5.04 118.70 113.68 1wxl s GLU 73 Ca -0.03 0.40 0.20 0.00 0.04 0.00 0.00 54.97 55.57 1wxl s GLU 73 Cb 0.14 0.22 0.16 0.00 0.02 0.00 0.00 34.13 34.67 1wxl s GLU 73 CO 0.75 -0.09 1.12 0.00 -1.84 0.00 0.00 175.26 175.20