#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 2.88 -1.48 7.33 -0.00 -1.26 -5.04 115.22 117.65 1wxl n HIS 3 Ca 0.00 -1.84 0.19 0.00 -0.00 0.00 0.00 57.72 56.07 1wxl n HIS 3 Cb 0.00 -0.94 -0.08 0.00 -0.00 0.00 0.00 29.99 28.97 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 -1.02 -3.27 -0.72 -0.41 2.81 -1.26 -4.01 117.12 109.24 1wxl n MET 4 Ca 0.56 2.52 -0.28 0.00 -1.81 0.00 0.00 57.70 58.69 1wxl n MET 4 Cb 1.53 -3.88 -0.04 0.00 -0.71 0.00 0.00 33.22 30.12 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 -4.37 1.30 -0.40 0.03 -0.02 -1.26 -4.77 135.00 125.51 1wxl n PRO 5 Ca -0.06 -1.37 -0.11 0.00 -2.02 0.00 0.00 63.50 59.94 1wxl n PRO 5 Cb 0.69 -2.53 -0.01 0.00 -0.02 0.00 0.00 33.50 31.63 1wxl n PRO 5 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1wxl n LYS 6 N 5.69 1.10 -1.19 -0.52 2.85 -1.26 -4.42 118.16 120.41 1wxl n LYS 6 Ca 0.39 -0.96 -0.04 0.00 -1.05 0.00 0.00 58.31 56.65 1wxl n LYS 6 Cb 0.23 -2.19 -0.02 0.00 -0.65 0.00 0.00 35.03 32.40 1wxl n LYS 6 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 1wxl n ARG 7 N 4.41 -1.19 -0.37 -1.58 0.00 -1.26 -4.52 116.66 112.15 1wxl n ARG 7 Ca 0.23 0.22 0.05 0.00 -0.00 0.00 0.00 57.85 58.35 1wxl n ARG 7 Cb 0.09 -4.31 -0.02 0.00 0.00 0.00 0.00 32.46 28.22 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 -0.69 -0.96 -2.85 5.13 0.00 -1.26 -4.50 120.51 115.37 1wxl n ALA 8 Ca -0.04 0.19 -0.34 0.00 0.00 0.00 0.00 53.44 53.26 1wxl n ALA 8 Cb 0.15 -0.38 -0.12 0.00 0.00 0.00 0.00 19.45 19.10 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 -2.55 3.64 0.71 0.00 2.01 -1.26 -4.90 115.64 113.29 1wxl s THR 9 Ca 0.00 -0.47 -0.15 0.00 0.31 0.00 0.00 61.69 61.38 1wxl s THR 9 Cb 0.00 -2.54 0.03 0.00 0.01 0.00 0.00 72.50 70.00 1wxl s THR 9 CO 0.00 0.54 1.17 -0.89 -0.69 0.00 0.00 174.62 174.75 1wxl s THR 10 N -0.04 2.63 0.30 -0.82 2.01 -1.26 -3.77 115.64 114.69 1wxl s THR 10 Ca -0.00 0.30 0.04 0.00 0.31 0.00 0.00 61.69 62.33 1wxl s THR 10 Cb -0.13 -2.83 0.32 0.00 0.01 0.00 0.00 72.50 69.87 1wxl s THR 10 CO 0.03 -0.17 1.64 0.00 -0.69 0.00 0.00 174.62 175.43 1wxl h ALA 11 N -0.24 1.35 -0.06 7.40 0.00 -1.88 1.14 119.26 126.96 1wxl h ALA 11 Ca -0.47 0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 1wxl h ALA 11 Cb 1.28 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 1wxl h ALA 11 CO 0.51 -0.50 -0.51 0.35 0.00 0.00 0.00 179.25 179.11 1wxl h PHE 12 N 0.20 0.20 0.01 0.00 3.04 -1.94 -2.78 116.94 115.68 1wxl h PHE 12 Ca 0.58 -0.06 -0.00 0.00 3.98 0.00 0.00 57.97 62.46 1wxl h PHE 12 Cb 1.20 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 39.67 1wxl h PHE 12 CO -0.25 0.64 -0.01 0.52 -2.02 0.00 0.00 178.31 177.19 1wxl h MET 13 N 0.13 -0.02 -1.07 1.11 2.86 0.64 -0.88 114.93 117.70 1wxl h MET 13 Ca 0.00 0.00 0.30 0.00 -2.06 0.00 0.00 59.70 57.94 1wxl h MET 13 Cb 0.94 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.55 1wxl h MET 13 CO 0.07 -0.01 0.74 1.37 1.06 0.00 0.00 176.91 180.14 1wxl h LEU 14 N -0.72 0.15 0.15 1.22 -0.00 0.22 1.28 115.31 117.61 1wxl h LEU 14 Ca -0.00 0.03 -0.29 0.00 -0.00 0.00 0.00 57.88 57.62 1wxl h LEU 14 Cb 0.01 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.68 1wxl h LEU 14 CO 0.00 0.03 -1.42 -0.25 -0.00 0.00 0.00 178.44 176.80 1wxl h TRP 15 N 0.13 0.58 0.00 0.17 7.01 -1.61 -3.14 115.95 119.09 1wxl h TRP 15 Ca 0.54 -0.42 0.00 0.00 2.11 0.00 0.00 58.89 61.12 1wxl h TRP 15 Cb 1.87 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 28.91 1wxl h TRP 15 CO -0.00 1.55 0.00 -0.11 -2.79 0.00 0.00 178.44 177.09 1wxl n LEU 16 N -3.85 0.32 -0.01 0.65 7.94 0.35 0.34 117.00 122.74 1wxl n LEU 16 Ca -0.23 0.60 -0.11 0.00 -1.11 0.00 0.00 56.01 55.17 1wxl n LEU 16 Cb 0.95 -0.59 -0.09 0.00 0.53 0.00 0.00 43.42 44.23 1wxl n LEU 16 CO 0.47 -0.53 0.36 -1.13 -1.11 0.00 0.00 177.39 175.44 1wxl h ASN 17 N 0.00 -0.07 1.03 1.96 -0.73 0.15 4.26 115.58 122.18 1wxl h ASN 17 Ca 0.00 -0.55 -0.06 0.00 1.87 0.00 0.00 56.30 57.55 1wxl h ASN 17 Cb 0.19 0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.79 1wxl h ASN 17 CO 0.00 0.63 -0.30 -0.78 -0.37 0.00 0.00 177.43 176.61 1wxl h ASP 18 N -0.89 0.00 0.00 1.15 3.58 -1.39 -3.06 116.42 115.80 1wxl h ASP 18 Ca -0.01 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.37 1wxl h ASP 18 Cb 0.62 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.65 1wxl h ASP 18 CO 0.01 0.30 -1.94 0.41 -2.88 0.00 0.00 179.24 175.14 1wxl n THR 19 N -3.39 0.26 -0.25 2.25 -1.04 0.15 -4.00 114.28 108.26 1wxl n THR 19 Ca 0.00 -0.50 0.13 0.00 -2.04 0.00 0.00 64.05 61.64 1wxl n THR 19 Cb 0.50 -0.06 0.40 0.00 -1.82 0.00 0.00 70.33 69.35 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 0.62 -0.40 -2.82 2.43 0.84 1.78 114.38 116.84 1wxl h ARG 20 Ca -0.10 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 58.90 1wxl h ARG 20 Cb 1.13 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 1wxl h ARG 20 CO 0.01 0.41 -0.26 1.49 -1.51 0.00 0.00 179.97 180.11 1wxl h GLU 21 N 0.64 0.83 0.00 0.20 4.81 -1.72 -2.48 114.58 116.87 1wxl h GLU 21 Ca 0.44 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1wxl h GLU 21 Cb 0.75 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.11 1wxl h GLU 21 CO -0.19 0.99 0.00 0.77 -0.73 0.00 0.00 179.01 179.85 1wxl h SER 22 N 0.71 0.00 0.00 1.04 0.02 0.22 -2.82 113.55 112.72 1wxl h SER 22 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1wxl h SER 22 Cb 0.79 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.33 1wxl h SER 22 CO 0.07 0.00 -0.05 0.40 -1.14 0.00 0.00 176.83 176.11 1wxl h ILE 23 N 0.00 0.00 -0.85 3.27 2.04 0.78 -2.22 117.51 120.52 1wxl h ILE 23 Ca 0.00 -0.87 0.22 0.00 1.00 0.00 0.00 64.86 65.21 1wxl h ILE 23 Cb 0.49 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.52 1wxl h ILE 23 CO 0.00 0.00 0.59 0.50 0.00 0.00 0.00 178.15 179.24 1wxl h LYS 24 N -0.87 0.20 -0.04 2.37 1.63 -1.49 0.96 116.57 119.32 1wxl h LYS 24 Ca 0.00 -0.01 -0.12 0.00 -0.85 0.00 0.00 60.65 59.66 1wxl h LYS 24 Cb 0.05 -0.04 0.01 0.00 -0.60 0.00 0.00 32.23 31.64 1wxl h LYS 24 CO 0.00 0.13 -0.46 0.07 -3.45 0.00 0.00 179.45 175.75 1wxl h ARG 25 N 0.21 0.39 0.00 1.90 0.11 -1.63 0.26 114.38 115.61 1wxl h ARG 25 Ca 0.43 -0.36 0.00 0.00 0.10 0.00 0.00 59.98 60.15 1wxl h ARG 25 Cb 1.35 0.09 0.00 0.00 1.11 0.00 0.00 29.97 32.52 1wxl h ARG 25 CO -0.09 1.01 0.00 0.39 0.10 0.00 0.00 179.97 181.38 1wxl n GLU 26 N -4.32 0.11 -2.93 0.08 1.02 0.70 -3.72 120.64 111.59 1wxl n GLU 26 Ca -0.09 0.47 -0.10 0.00 -0.02 0.00 0.00 57.16 57.42 1wxl n GLU 26 Cb 0.59 -1.77 -0.02 0.00 -0.02 0.00 0.00 31.44 30.22 1wxl n GLU 26 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1wxl s ASN 27 N -3.75 -0.74 0.00 1.62 0.01 0.30 -5.03 114.94 107.35 1wxl s ASN 27 Ca 0.02 -2.03 -0.01 0.00 -0.71 0.00 0.00 52.86 50.13 1wxl s ASN 27 Cb 0.07 1.33 -0.05 0.00 0.41 0.00 0.00 41.25 43.01 1wxl s ASN 27 CO 0.25 -0.08 1.53 -0.81 -1.51 0.00 0.00 177.10 176.47 1wxl n PRO 28 N 2.97 0.77 -0.25 -0.60 -0.04 0.88 -2.58 135.00 136.14 1wxl n PRO 28 Ca 0.21 -0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1wxl n PRO 28 Cb 0.54 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 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 1.98 0.93 0.00 0.55 0.00 -1.26 -5.08 105.19 102.30 1wxl n GLY 29 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.44 -0.61 -5.35 -1.07 -5.14 119.36 103.76 1wxl n ILE 30 Ca 0.00 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.36 1wxl n ILE 30 Cb 0.47 -0.17 -0.02 0.00 -1.74 0.00 0.00 39.64 38.17 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 2.11 1.21 0.37 6.28 -2.85 -1.26 -4.99 119.74 120.60 1wxl s LYS 31 Ca 0.00 -0.39 0.31 0.00 -1.00 0.00 0.00 55.97 54.88 1wxl s LYS 31 Cb 0.00 0.56 1.19 0.00 -2.06 0.00 0.00 37.83 37.52 1wxl s LYS 31 CO 0.00 -0.52 1.16 1.33 0.10 0.00 0.00 175.35 177.42 1wxl n VAL 32 N -0.26 -0.10 0.08 1.79 0.24 -1.26 0.19 118.33 119.01 1wxl n VAL 32 Ca -0.16 1.22 -0.03 0.00 -2.04 0.00 0.00 64.34 63.33 1wxl n VAL 32 Cb 0.64 -2.02 -0.07 0.00 -1.47 0.00 0.00 33.84 30.92 1wxl n VAL 32 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1wxl h THR 33 N 0.00 1.26 0.00 3.34 1.35 -1.99 -3.07 112.91 113.80 1wxl h THR 33 Ca 0.68 -2.84 -0.14 0.00 -0.55 0.00 0.00 66.41 63.56 1wxl h THR 33 Cb 2.45 2.61 -0.02 0.00 -1.73 0.00 0.00 68.15 71.45 1wxl h THR 33 CO -0.18 0.72 -0.88 -0.08 -0.25 0.00 0.00 175.52 174.85 1wxl h GLU 34 N 0.00 0.00 -0.20 4.72 4.57 0.16 -2.56 114.58 121.27 1wxl h GLU 34 Ca -0.04 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.08 1wxl h GLU 34 Cb 1.64 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.22 1wxl h GLU 34 CO 0.10 0.46 -0.12 0.82 -1.18 0.00 0.00 179.01 179.08 1wxl h ILE 35 N 0.00 1.32 0.00 2.32 2.04 -1.38 0.41 117.51 122.22 1wxl h ILE 35 Ca -0.06 -1.22 -0.06 0.00 1.00 0.00 0.00 64.86 64.51 1wxl h ILE 35 Cb 1.49 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 39.25 1wxl h ILE 35 CO 0.06 0.37 -0.30 0.00 0.00 0.00 0.00 178.15 178.28 1wxl h ALA 36 N 0.68 0.95 0.00 1.87 0.00 -1.61 -2.01 119.26 119.13 1wxl h ALA 36 Ca 0.04 -0.27 -0.24 0.00 0.00 0.00 0.00 54.91 54.44 1wxl h ALA 36 Cb 0.63 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1wxl h ALA 36 CO 0.03 0.37 -1.47 1.17 0.00 0.00 0.00 179.25 179.36 1wxl n LYS 37 N -3.37 0.55 0.19 0.00 0.00 -0.96 -3.59 118.16 110.97 1wxl n LYS 37 Ca 0.01 0.47 0.14 0.00 0.00 0.00 0.00 58.31 58.92 1wxl n LYS 37 Cb 0.51 -1.65 0.54 0.00 0.00 0.00 0.00 35.03 34.42 1wxl n LYS 37 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1wxl h LYS 38 N -1.00 0.00 0.20 1.64 3.11 -0.31 -2.57 116.57 117.64 1wxl h LYS 38 Ca -0.37 0.00 -0.31 0.00 -2.81 0.00 0.00 60.65 57.16 1wxl h LYS 38 Cb 1.25 0.00 0.02 0.00 -1.00 0.00 0.00 32.23 32.50 1wxl h LYS 38 CO -0.22 0.00 -1.41 0.78 -2.81 0.00 0.00 179.45 175.79 1wxl h GLY 39 N 2.48 0.49 0.74 5.01 0.00 -1.45 -3.28 103.07 107.06 1wxl h GLY 39 Ca 0.00 -1.25 0.05 0.00 0.00 0.00 0.00 47.33 46.13 1wxl h GLY 39 CO 0.00 1.09 0.38 -1.33 0.00 0.00 0.00 176.54 176.68 1wxl h GLY 40 N 0.79 0.97 0.68 4.60 0.00 -1.52 0.84 103.07 109.43 1wxl h GLY 40 Ca -0.21 -0.27 0.06 0.00 0.00 0.00 0.00 47.33 46.90 1wxl h GLY 40 CO 0.24 0.19 0.38 1.05 0.00 0.00 0.00 176.54 178.40 1wxl h GLU 41 N 0.72 0.68 -0.02 4.80 4.11 -1.62 0.20 114.58 123.44 1wxl h GLU 41 Ca 0.29 -0.04 -0.23 0.00 0.07 0.00 0.00 59.36 59.45 1wxl h GLU 41 Cb 0.14 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1wxl h GLU 41 CO -0.16 0.45 -0.91 0.00 0.07 0.00 0.00 179.01 178.45 1wxl h MET 42 N 0.70 0.48 0.57 1.06 -0.00 -1.42 -3.23 114.93 113.09 1wxl h MET 42 Ca 0.30 -0.49 -0.03 0.00 -0.00 0.00 0.00 59.70 59.49 1wxl h MET 42 Cb 0.19 0.13 0.01 0.00 -0.00 0.00 0.00 31.60 31.92 1wxl h MET 42 CO -0.18 1.13 -0.28 2.35 -0.00 0.00 0.00 176.91 179.93 1wxl h TRP 43 N 0.29 -0.71 -0.26 -0.10 2.91 0.14 -2.38 115.95 115.83 1wxl h TRP 43 Ca -0.08 -0.02 0.08 0.00 1.13 0.00 0.00 58.89 60.00 1wxl h TRP 43 Cb 1.54 0.24 -0.01 0.00 -0.51 0.00 0.00 29.16 30.42 1wxl h TRP 43 CO 0.07 -0.40 0.36 -0.22 -1.03 0.00 0.00 178.44 177.22 1wxl h LYS 44 N -0.89 0.00 -0.86 2.65 1.63 -0.74 -0.07 116.57 118.28 1wxl h LYS 44 Ca -0.08 0.00 -0.59 0.00 -0.85 0.00 0.00 60.65 59.13 1wxl h LYS 44 Cb 0.63 0.00 -0.38 0.00 -0.60 0.00 0.00 32.23 31.88 1wxl h LYS 44 CO 0.13 0.00 -0.26 -0.85 -3.45 0.00 0.00 179.45 175.02 1wxl n GLU 45 N -3.53 3.31 -4.76 1.90 0.28 -0.98 -5.00 120.64 111.87 1wxl n GLU 45 Ca 0.04 -3.89 -0.24 0.00 -0.16 0.00 0.00 57.16 52.91 1wxl n GLU 45 Cb 0.50 -2.28 -0.15 0.00 1.43 0.00 0.00 31.44 30.93 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 -3.68 2.00 -0.10 -1.84 0.20 -0.04 -4.95 118.68 110.27 1wxl s LEU 46 Ca 0.55 -0.30 0.06 0.00 0.69 0.00 0.00 54.13 55.14 1wxl s LEU 46 Cb 0.44 -0.84 0.35 0.00 -0.43 0.00 0.00 46.19 45.72 1wxl s LEU 46 CO 0.01 0.19 1.05 0.29 -0.29 0.00 0.00 176.35 177.60 1wxl n LYS 47 N 2.78 2.64 -0.00 1.98 5.02 -1.26 -3.20 118.16 126.12 1wxl n LYS 47 Ca -0.15 -1.36 0.06 0.00 -2.02 0.00 0.00 58.31 54.85 1wxl n LYS 47 Cb 0.54 -1.80 -0.08 0.00 -0.02 0.00 0.00 35.03 33.67 1wxl n LYS 47 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1wxl n ASP 48 N 0.28 0.87 0.12 4.39 9.92 -1.26 -4.37 116.55 126.50 1wxl n ASP 48 Ca 0.12 -0.65 -0.00 0.00 -0.53 0.00 0.00 54.79 53.73 1wxl n ASP 48 Cb 0.64 1.12 -0.02 0.00 -0.64 0.00 0.00 41.12 42.22 1wxl n ASP 48 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 1wxl h LYS 49 N 0.00 0.00 -0.06 -1.24 3.11 -1.85 0.47 116.57 117.00 1wxl h LYS 49 Ca 0.00 0.00 -0.12 0.00 -2.81 0.00 0.00 60.65 57.72 1wxl h LYS 49 Cb 0.37 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.58 1wxl h LYS 49 CO 0.00 0.64 -0.49 1.03 -2.81 0.00 0.00 179.45 177.83 1wxl h SER 50 N 0.00 0.17 0.04 4.20 0.87 -1.77 1.47 113.55 118.53 1wxl h SER 50 Ca -0.01 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1wxl h SER 50 Cb 1.49 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.41 1wxl h SER 50 CO 0.08 0.63 -0.53 2.29 -0.53 0.00 0.00 176.83 178.77 1wxl n LYS 51 N -3.96 0.91 -0.04 2.24 2.85 -1.14 -4.30 118.16 114.71 1wxl n LYS 51 Ca -0.02 -0.72 -0.06 0.00 -1.05 0.00 0.00 58.31 56.46 1wxl n LYS 51 Cb 0.52 -1.49 -0.04 0.00 -0.65 0.00 0.00 35.03 33.38 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 -0.42 0.00 -0.19 5.58 7.02 0.16 -4.52 117.44 125.08 1wxl n TRP 52 Ca 0.09 0.00 0.24 0.00 -1.02 0.00 0.00 57.50 56.81 1wxl n TRP 52 Cb 0.42 -0.32 0.63 0.00 -2.42 0.00 0.00 31.31 29.62 1wxl n TRP 52 CO 0.00 0.00 0.00 1.05 -2.02 0.00 0.00 177.69 176.72 1wxl h GLU 53 N -0.05 0.16 -0.02 -0.99 -0.00 0.18 1.02 114.58 114.89 1wxl h GLU 53 Ca -0.19 -0.01 -0.08 0.00 -0.00 0.00 0.00 59.36 59.08 1wxl h GLU 53 Cb 1.28 -0.04 -0.01 0.00 -0.00 0.00 0.00 28.75 29.98 1wxl h GLU 53 CO -0.05 0.11 -0.37 0.22 -0.00 0.00 0.00 179.01 178.92 1wxl h ASP 54 N 0.17 0.04 -0.55 3.06 3.58 -1.75 -2.01 116.42 118.96 1wxl h ASP 54 Ca 0.43 -0.02 0.04 0.00 0.42 0.00 0.00 57.03 57.91 1wxl h ASP 54 Cb 1.42 -0.01 -0.05 0.00 1.72 0.00 0.00 39.33 42.41 1wxl h ASP 54 CO -0.08 0.41 0.29 0.00 -2.88 0.00 0.00 179.24 176.99 1wxl h ALA 55 N 1.59 0.71 -0.00 -0.78 0.00 0.87 0.36 119.26 122.01 1wxl h ALA 55 Ca 0.00 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1wxl h ALA 55 Cb 0.67 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1wxl h ALA 55 CO 0.05 -0.04 -0.22 0.00 0.00 0.00 0.00 179.25 179.05 1wxl h ALA 56 N 1.29 -0.28 0.00 0.00 0.00 -1.22 0.84 119.26 119.89 1wxl h ALA 56 Ca 0.24 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1wxl h ALA 56 Cb 0.13 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1wxl h ALA 56 CO -0.15 -0.71 -0.32 0.00 0.00 0.00 0.00 179.25 178.06 1wxl h ALA 57 N 0.53 1.09 0.10 0.00 0.00 -1.27 0.89 119.26 120.60 1wxl h ALA 57 Ca 0.06 -0.29 -0.27 0.00 0.00 0.00 0.00 54.91 54.41 1wxl h ALA 57 Cb 0.42 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.17 1wxl h ALA 57 CO -0.20 0.40 -1.16 1.57 0.00 0.00 0.00 179.25 179.86 1wxl h LYS 58 N 0.00 0.39 0.08 0.00 2.10 0.40 -2.64 116.57 116.90 1wxl h LYS 58 Ca -0.00 -0.55 -0.26 0.00 -2.00 0.00 0.00 60.65 57.84 1wxl h LYS 58 Cb 0.76 0.19 0.01 0.00 -0.90 0.00 0.00 32.23 32.29 1wxl h LYS 58 CO 0.04 1.22 -1.12 -0.44 -2.00 0.00 0.00 179.45 177.15 1wxl h ASP 59 N 0.16 0.54 -0.56 7.07 5.19 0.90 0.14 116.42 129.86 1wxl h ASP 59 Ca -0.13 -0.50 -0.05 0.00 -0.62 0.00 0.00 57.03 55.72 1wxl h ASP 59 Cb 1.85 -0.17 -0.03 0.00 0.18 0.00 0.00 39.33 41.16 1wxl h ASP 59 CO 0.20 1.34 0.16 0.07 -3.12 0.00 0.00 179.24 177.88 1wxl h LYS 60 N 0.17 0.92 0.08 3.56 5.09 -0.89 0.27 116.57 125.78 1wxl h LYS 60 Ca -0.12 -0.19 -0.27 0.00 0.09 0.00 0.00 60.65 60.16 1wxl h LYS 60 Cb 1.80 -0.14 0.03 0.00 0.10 0.00 0.00 32.23 34.02 1wxl h LYS 60 CO 0.19 0.82 -1.10 1.96 -2.09 0.00 0.00 179.45 179.23 1wxl h GLN 61 N 0.89 0.60 0.00 0.07 4.20 -1.46 -1.72 115.11 117.68 1wxl h GLN 61 Ca 0.19 -0.75 0.00 0.00 0.06 0.00 0.00 58.65 58.15 1wxl h GLN 61 Cb 0.30 0.24 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1wxl h GLN 61 CO -0.00 1.33 0.00 -2.13 -0.67 0.00 0.00 178.83 177.36 1wxl n ARG 62 N -3.88 0.21 -0.08 1.46 0.63 0.50 -0.36 116.66 115.13 1wxl n ARG 62 Ca -0.13 0.30 -0.23 0.00 -0.92 0.00 0.00 57.85 56.87 1wxl n ARG 62 Cb 0.92 -1.80 -0.12 0.00 0.45 0.00 0.00 32.46 31.90 1wxl n ARG 62 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1wxl n TYR 63 N -2.17 0.93 0.44 -0.14 4.02 0.94 -3.81 117.16 117.36 1wxl n TYR 63 Ca 0.04 0.34 0.12 0.00 -0.01 0.00 0.00 57.90 58.39 1wxl n TYR 63 Cb 0.32 -1.10 0.48 0.00 -0.02 0.00 0.00 39.34 39.02 1wxl n TYR 63 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 176.86 173.46 1wxl n HIS 64 N -4.17 0.85 0.62 -0.72 1.44 -0.65 0.29 115.22 112.88 1wxl n HIS 64 Ca -0.35 0.31 0.11 0.00 -2.01 0.00 0.00 57.72 55.78 1wxl n HIS 64 Cb 0.80 -1.01 0.45 0.00 0.12 0.00 0.00 29.99 30.35 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 -2.25 0.30 0.00 4.39 9.92 0.51 -4.12 116.55 125.30 1wxl n ASP 65 Ca 0.03 0.55 0.00 0.00 -0.53 0.00 0.00 54.79 54.84 1wxl n ASP 65 Cb 0.27 -0.63 0.00 0.00 -0.64 0.00 0.00 41.12 40.13 1wxl n ASP 65 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1wxl n GLU 66 N -1.81 0.00 -0.39 -1.24 0.28 -0.88 -4.92 120.64 111.68 1wxl n GLU 66 Ca 0.04 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.12 1wxl n GLU 66 Cb 0.27 0.00 0.24 0.00 1.43 0.00 0.00 31.44 33.38 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 -0.36 3.12 -0.35 3.44 2.81 0.70 -4.66 117.12 121.81 1wxl n MET 67 Ca 0.00 -2.57 -0.04 0.00 -1.81 0.00 0.00 57.70 53.28 1wxl n MET 67 Cb 0.00 -1.65 0.00 0.00 -0.71 0.00 0.00 33.22 30.86 1wxl n MET 67 CO 0.00 0.00 0.00 0.07 1.51 0.00 0.00 175.97 177.55 1wxl h ARG 68 N 2.40 -0.05 -0.53 0.03 -0.00 0.43 0.25 114.38 116.90 1wxl h ARG 68 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 59.98 59.83 1wxl h ARG 68 Cb 1.19 0.01 -0.09 0.00 -0.00 0.00 0.00 29.97 31.09 1wxl h ARG 68 CO 0.15 -0.03 0.13 0.27 -0.00 0.00 0.00 179.97 180.49 1wxl n ASN 69 N -5.42 4.14 0.33 0.08 2.04 -1.26 -3.16 115.26 112.01 1wxl n ASN 69 Ca 0.07 -3.27 0.22 0.00 -0.44 0.00 0.00 54.58 51.16 1wxl n ASN 69 Cb 0.36 -0.67 1.18 0.00 -2.53 0.00 0.00 39.78 38.12 1wxl n ASN 69 CO 0.00 0.00 0.00 0.22 -0.44 0.00 0.00 177.26 177.04 1wxl h TYR 70 N 2.12 0.00 0.00 -2.53 3.20 -0.77 -3.31 116.97 115.67 1wxl h TYR 70 Ca 0.18 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.05 1wxl h TYR 70 Cb 1.97 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.24 1wxl h TYR 70 CO 1.02 0.00 0.00 1.17 -1.64 0.00 0.00 178.16 178.71 1wxl n LYS 71 N -3.01 0.00 0.00 1.82 3.00 -1.26 -4.96 118.16 113.75 1wxl n LYS 71 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.28 1wxl n LYS 71 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.10 1wxl n LYS 71 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1wxl n PRO 72 N -3.04 0.00 -0.18 1.64 -0.04 -1.26 -3.10 135.00 129.02 1wxl n PRO 72 Ca 0.00 0.47 0.09 0.00 -0.04 0.00 0.00 63.50 64.02 1wxl n PRO 72 Cb 0.00 -1.40 0.39 0.00 -0.04 0.00 0.00 33.50 32.46 1wxl n PRO 72 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1wxl h GLU 73 N 0.00 0.64 0.00 0.54 4.81 -1.85 -3.50 114.58 115.22 1wxl h GLU 73 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1wxl h GLU 73 Cb 0.00 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.23 1wxl h GLU 73 CO 0.00 0.43 0.00 0.00 -0.73 0.00 0.00 179.01 178.71