#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 -4.16 -3.63 7.33 -0.00 -1.26 -4.90 115.22 108.60 1wxl n HIS 3 Ca 0.00 2.18 -0.04 0.00 -0.00 0.00 0.00 57.72 59.86 1wxl n HIS 3 Cb 0.00 -3.90 -0.04 0.00 -0.00 0.00 0.00 29.99 26.04 1wxl n HIS 3 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 1wxl s MET 4 N -1.09 0.18 -0.17 -0.41 0.00 -1.20 -3.88 119.30 112.74 1wxl s MET 4 Ca -0.16 0.05 0.01 0.00 0.00 0.00 0.00 55.69 55.59 1wxl s MET 4 Cb 0.01 0.08 0.21 0.00 0.00 0.00 0.00 34.83 35.13 1wxl s MET 4 CO 0.77 -0.05 1.45 -0.35 0.00 0.00 0.00 175.02 176.84 1wxl n PRO 5 N 0.63 1.45 0.00 4.11 -0.04 -1.23 -4.81 135.00 135.12 1wxl n PRO 5 Ca -0.03 -1.03 0.00 0.00 -0.04 0.00 0.00 63.50 62.41 1wxl n PRO 5 Cb 0.59 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 1wxl n PRO 5 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1wxl n LYS 6 N 0.10 0.00 0.00 0.54 5.02 -1.26 -4.16 118.16 118.40 1wxl n LYS 6 Ca 0.20 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 1wxl n LYS 6 Cb 0.82 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.83 1wxl n LYS 6 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1wxl n ARG 7 N 0.00 0.00 -0.87 1.97 0.00 -1.26 -5.00 116.66 111.50 1wxl n ARG 7 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.85 57.96 1wxl n ARG 7 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.42 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 0.00 -2.28 -2.86 5.13 0.00 -1.26 -4.48 120.51 114.76 1wxl n ALA 8 Ca 0.00 0.44 -0.34 0.00 0.00 0.00 0.00 53.44 53.54 1wxl n ALA 8 Cb 0.00 -0.88 -0.11 0.00 0.00 0.00 0.00 19.45 18.45 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 -2.88 4.04 0.72 0.00 -4.23 -1.26 -4.89 115.64 107.13 1wxl s THR 9 Ca 0.00 -0.31 -0.16 0.00 -1.18 0.00 0.00 61.69 60.04 1wxl s THR 9 Cb 0.00 -2.76 0.03 0.00 1.34 0.00 0.00 72.50 71.12 1wxl s THR 9 CO 0.00 0.52 1.22 0.42 -0.54 0.00 0.00 174.62 176.24 1wxl s THR 10 N 0.05 2.28 0.31 3.99 -4.23 -1.26 -3.70 115.64 113.07 1wxl s THR 10 Ca 0.01 0.14 0.05 0.00 -1.18 0.00 0.00 61.69 60.71 1wxl s THR 10 Cb -0.13 -2.77 0.34 0.00 1.34 0.00 0.00 72.50 71.28 1wxl s THR 10 CO 0.02 -0.07 1.62 0.00 -0.54 0.00 0.00 174.62 175.66 1wxl h ALA 11 N -0.15 1.40 -0.06 3.99 0.00 -1.89 1.12 119.26 123.67 1wxl h ALA 11 Ca -0.48 0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 1wxl h ALA 11 Cb 1.30 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 1wxl h ALA 11 CO 0.50 -0.56 -0.51 0.35 0.00 0.00 0.00 179.25 179.03 1wxl h PHE 12 N 0.14 0.21 0.04 0.00 3.57 -1.93 -2.99 116.94 115.99 1wxl h PHE 12 Ca 0.61 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 62.04 1wxl h PHE 12 Cb 1.31 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.01 1wxl h PHE 12 CO -0.27 0.65 -0.02 0.52 -2.23 0.00 0.00 178.31 176.96 1wxl h MET 13 N 0.14 -0.05 -1.10 1.11 2.86 0.73 -1.58 114.93 117.03 1wxl h MET 13 Ca 0.00 0.00 0.31 0.00 -2.06 0.00 0.00 59.70 57.96 1wxl h MET 13 Cb 0.96 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.57 1wxl h MET 13 CO 0.08 -0.03 0.77 1.37 1.06 0.00 0.00 176.91 180.15 1wxl h LEU 14 N -0.73 0.15 0.17 1.22 -0.00 -0.42 1.35 115.31 117.04 1wxl h LEU 14 Ca -0.01 0.03 -0.32 0.00 -0.00 0.00 0.00 57.88 57.58 1wxl h LEU 14 Cb 0.04 0.01 0.01 0.00 -0.00 0.00 0.00 40.66 40.71 1wxl h LEU 14 CO 0.01 0.03 -1.59 -0.25 -0.00 0.00 0.00 178.44 176.64 1wxl h TRP 15 N 0.13 0.65 0.00 0.17 7.01 -1.65 -3.16 115.95 119.10 1wxl h TRP 15 Ca 0.56 -0.47 0.00 0.00 2.11 0.00 0.00 58.89 61.09 1wxl h TRP 15 Cb 1.95 -0.03 0.00 0.00 -2.10 0.00 0.00 29.16 28.99 1wxl h TRP 15 CO -0.00 1.62 0.00 -0.11 -2.79 0.00 0.00 178.44 177.16 1wxl n LEU 16 N -3.73 0.62 0.05 0.65 7.94 0.37 0.37 117.00 123.27 1wxl n LEU 16 Ca -0.24 0.69 -0.11 0.00 -1.11 0.00 0.00 56.01 55.25 1wxl n LEU 16 Cb 1.01 -0.66 -0.08 0.00 0.53 0.00 0.00 43.42 44.22 1wxl n LEU 16 CO 0.49 -0.69 0.42 -1.13 -1.11 0.00 0.00 177.39 175.37 1wxl h ASN 17 N 0.00 -0.17 0.68 1.96 -0.73 0.17 5.01 115.58 122.50 1wxl h ASN 17 Ca 0.00 -0.38 -0.10 0.00 1.87 0.00 0.00 56.30 57.70 1wxl h ASN 17 Cb 0.24 0.04 -0.01 0.00 0.27 0.00 0.00 38.32 38.86 1wxl h ASN 17 CO 0.00 0.39 -0.46 -0.78 -0.37 0.00 0.00 177.43 176.20 1wxl h ASP 18 N -0.83 0.00 0.00 1.15 3.58 -1.41 -3.18 116.42 115.73 1wxl h ASP 18 Ca -0.02 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.32 1wxl h ASP 18 Cb 0.53 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.56 1wxl h ASP 18 CO 0.03 0.46 -2.03 0.41 -2.88 0.00 0.00 179.24 175.24 1wxl n THR 19 N -3.71 0.40 -0.11 2.25 -1.04 0.16 -4.05 114.28 108.17 1wxl n THR 19 Ca -0.01 -0.56 0.11 0.00 -2.04 0.00 0.00 64.05 61.55 1wxl n THR 19 Cb 0.53 -0.13 0.47 0.00 -1.82 0.00 0.00 70.33 69.38 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 0.47 -0.72 -2.82 0.11 1.01 1.79 114.38 114.21 1wxl h ARG 20 Ca -0.16 -0.03 -0.06 0.00 0.10 0.00 0.00 59.98 59.84 1wxl h ARG 20 Cb 1.30 -0.11 -0.03 0.00 1.11 0.00 0.00 29.97 32.24 1wxl h ARG 20 CO 0.01 0.31 0.22 1.05 0.10 0.00 0.00 179.97 181.66 1wxl h GLU 21 N 0.48 1.13 0.00 0.08 4.11 -1.70 -1.39 114.58 117.29 1wxl h GLU 21 Ca 0.30 -0.25 0.00 0.00 0.07 0.00 0.00 59.36 59.48 1wxl h GLU 21 Cb 0.52 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1wxl h GLU 21 CO -0.09 0.97 0.00 0.77 0.07 0.00 0.00 179.01 180.73 1wxl h SER 22 N 1.07 0.00 0.11 3.06 0.02 0.22 -2.86 113.55 115.17 1wxl h SER 22 Ca 0.23 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.91 1wxl h SER 22 Cb 0.31 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 1wxl h SER 22 CO -0.01 0.00 -1.42 0.40 -1.14 0.00 0.00 176.83 174.66 1wxl h ILE 23 N 0.00 1.01 0.00 3.27 2.04 0.12 -2.49 117.51 121.46 1wxl h ILE 23 Ca 0.00 -2.38 -0.09 0.00 1.00 0.00 0.00 64.86 63.39 1wxl h ILE 23 Cb 0.42 2.67 -0.01 0.00 -0.74 0.00 0.00 36.82 39.16 1wxl h ILE 23 CO 0.00 0.69 -0.43 0.50 0.00 0.00 0.00 178.15 178.91 1wxl h LYS 24 N -0.34 0.00 -0.06 2.37 1.63 -1.36 0.21 116.57 119.02 1wxl h LYS 24 Ca -0.31 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.34 1wxl h LYS 24 Cb 1.74 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 33.37 1wxl h LYS 24 CO 0.04 0.43 -0.56 0.07 -3.45 0.00 0.00 179.45 175.98 1wxl h ARG 25 N 0.00 0.49 0.00 1.90 0.11 -1.64 0.69 114.38 115.93 1wxl h ARG 25 Ca -0.00 -0.44 0.00 0.00 0.10 0.00 0.00 59.98 59.63 1wxl h ARG 25 Cb 0.77 0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.96 1wxl h ARG 25 CO 0.06 1.08 0.00 0.39 0.10 0.00 0.00 179.97 181.60 1wxl n GLU 26 N -4.21 0.16 -2.93 0.08 -0.58 -0.93 -3.63 120.64 108.59 1wxl n GLU 26 Ca -0.09 0.48 -0.13 0.00 -0.42 0.00 0.00 57.16 57.00 1wxl n GLU 26 Cb 0.64 -1.85 -0.00 0.00 -0.57 0.00 0.00 31.44 29.65 1wxl n GLU 26 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1wxl n ASN 27 N -2.16 -2.15 -2.11 1.62 3.02 0.70 -5.03 115.26 109.16 1wxl n ASN 27 Ca 0.01 -2.95 -0.02 0.00 -0.03 0.00 0.00 54.58 51.59 1wxl n ASN 27 Cb 0.16 1.01 -0.03 0.00 -0.61 0.00 0.00 39.78 40.31 1wxl n ASN 27 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1wxl n PRO 28 N 2.14 0.56 -0.16 3.52 -0.02 0.24 -2.27 135.00 139.00 1wxl n PRO 28 Ca 0.17 -0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 1wxl n PRO 28 Cb 0.57 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.52 1wxl n PRO 28 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wxl n GLY 29 N 2.40 0.64 0.00 -1.23 0.00 -1.26 -5.07 105.19 100.67 1wxl n GLY 29 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.71 -0.61 -5.35 -0.96 -5.13 119.36 103.59 1wxl n ILE 30 Ca 0.00 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.35 1wxl n ILE 30 Cb 0.32 -0.13 -0.08 0.00 -1.74 0.00 0.00 39.64 38.01 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 1.55 0.78 0.33 6.28 -2.85 -1.26 -5.00 119.74 119.57 1wxl s LYS 31 Ca 0.00 -0.22 0.26 0.00 -1.00 0.00 0.00 55.97 55.01 1wxl s LYS 31 Cb 0.00 0.35 1.10 0.00 -2.06 0.00 0.00 37.83 37.22 1wxl s LYS 31 CO 0.00 -0.24 1.11 1.55 0.10 0.00 0.00 175.35 177.87 1wxl n VAL 32 N 0.98 -0.15 0.13 1.79 3.14 -1.26 0.23 118.33 123.19 1wxl n VAL 32 Ca -0.20 1.24 0.03 0.00 -2.96 0.00 0.00 64.34 62.45 1wxl n VAL 32 Cb 0.57 -2.04 0.02 0.00 -1.06 0.00 0.00 33.84 31.33 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 0.74 0.04 1.55 1.35 -1.99 -3.17 112.91 111.43 1wxl h THR 33 Ca 0.64 -2.09 -0.23 0.00 -0.55 0.00 0.00 66.41 64.18 1wxl h THR 33 Cb 2.15 2.32 -0.02 0.00 -1.73 0.00 0.00 68.15 70.88 1wxl h THR 33 CO -0.27 0.42 -1.06 -0.08 -0.25 0.00 0.00 175.52 174.28 1wxl h GLU 34 N 0.00 0.12 -0.60 4.72 4.81 0.25 -2.57 114.58 121.31 1wxl h GLU 34 Ca -0.03 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 58.97 1wxl h GLU 34 Cb 1.38 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.80 1wxl h GLU 34 CO 0.06 1.06 0.18 0.82 -0.73 0.00 0.00 179.01 180.40 1wxl h ILE 35 N 0.04 1.24 0.00 2.32 2.04 -1.48 0.29 117.51 121.96 1wxl h ILE 35 Ca -0.06 -0.84 -0.05 0.00 1.00 0.00 0.00 64.86 64.92 1wxl h ILE 35 Cb 1.79 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 1wxl h ILE 35 CO 0.15 0.32 -0.22 0.00 0.00 0.00 0.00 178.15 178.40 1wxl h ALA 36 N 1.06 0.94 0.00 1.87 0.00 -1.56 -2.10 119.26 119.47 1wxl h ALA 36 Ca 0.19 -0.20 -0.24 0.00 0.00 0.00 0.00 54.91 54.66 1wxl h ALA 36 Cb 0.30 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1wxl h ALA 36 CO -0.00 0.28 -1.44 1.17 0.00 0.00 0.00 179.25 179.25 1wxl n LYS 37 N -3.28 0.55 0.22 0.00 0.00 -0.97 -3.62 118.16 111.07 1wxl n LYS 37 Ca 0.01 0.48 0.15 0.00 0.00 0.00 0.00 58.31 58.95 1wxl n LYS 37 Cb 0.49 -1.66 0.61 0.00 0.00 0.00 0.00 35.03 34.47 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 0.08 1.64 3.11 -0.58 -2.43 116.57 117.39 1wxl h LYS 38 Ca -0.36 0.00 -0.27 0.00 -2.81 0.00 0.00 60.65 57.20 1wxl h LYS 38 Cb 1.25 0.00 0.02 0.00 -1.00 0.00 0.00 32.23 32.49 1wxl h LYS 38 CO -0.22 0.00 -1.14 0.78 -2.81 0.00 0.00 179.45 176.06 1wxl h GLY 39 N 2.16 0.58 1.00 5.01 0.00 -1.51 -3.27 103.07 107.05 1wxl h GLY 39 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 47.33 46.17 1wxl h GLY 39 CO 0.00 1.03 0.32 -1.33 0.00 0.00 0.00 176.54 176.56 1wxl h GLY 40 N 0.78 0.70 0.56 4.60 0.00 -1.50 1.34 103.07 109.55 1wxl h GLY 40 Ca -0.14 -0.26 0.08 0.00 0.00 0.00 0.00 47.33 47.00 1wxl h GLY 40 CO 0.21 0.26 0.37 1.05 0.00 0.00 0.00 176.54 178.43 1wxl h GLU 41 N 0.67 0.64 0.14 4.80 4.11 -1.61 0.20 114.58 123.52 1wxl h GLU 41 Ca 0.18 -0.04 -0.28 0.00 0.07 0.00 0.00 59.36 59.29 1wxl h GLU 41 Cb -0.07 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.05 1wxl h GLU 41 CO -0.04 0.42 -1.26 0.00 0.07 0.00 0.00 179.01 178.20 1wxl h MET 42 N 0.66 0.38 0.43 1.06 -0.00 -1.51 -3.23 114.93 112.70 1wxl h MET 42 Ca 0.33 -0.60 -0.02 0.00 -0.00 0.00 0.00 59.70 59.42 1wxl h MET 42 Cb 0.29 0.21 0.00 0.00 -0.00 0.00 0.00 31.60 32.11 1wxl h MET 42 CO -0.23 1.27 -0.21 2.35 -0.00 0.00 0.00 176.91 180.08 1wxl h TRP 43 N 0.13 -0.56 -0.41 -0.10 2.91 0.24 -2.11 115.95 116.05 1wxl h TRP 43 Ca -0.16 -0.01 0.12 0.00 1.13 0.00 0.00 58.89 59.97 1wxl h TRP 43 Cb 1.97 0.19 -0.02 0.00 -0.51 0.00 0.00 29.16 30.79 1wxl h TRP 43 CO 0.08 -0.34 0.32 0.87 -1.03 0.00 0.00 178.44 178.34 1wxl h LYS 44 N -0.59 0.00 -0.83 2.65 1.57 -0.75 -0.50 116.57 118.11 1wxl h LYS 44 Ca -0.06 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.18 1wxl h LYS 44 Cb 0.46 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 32.47 1wxl h LYS 44 CO 0.09 0.00 0.30 -0.85 -0.57 0.00 0.00 179.45 178.42 1wxl n GLU 45 N -4.21 2.68 -5.02 3.15 -0.00 -0.85 -4.96 120.64 111.43 1wxl n GLU 45 Ca 0.07 -3.43 -0.28 0.00 -0.00 0.00 0.00 57.16 53.53 1wxl n GLU 45 Cb 0.51 -2.19 -0.16 0.00 -0.00 0.00 0.00 31.44 29.61 1wxl n GLU 45 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1wxl s LEU 46 N -3.59 2.02 -0.10 -1.84 0.20 -0.20 -4.97 118.68 110.19 1wxl s LEU 46 Ca 0.57 -0.39 0.06 0.00 0.69 0.00 0.00 54.13 55.06 1wxl s LEU 46 Cb 0.47 -1.09 0.36 0.00 -0.43 0.00 0.00 46.19 45.49 1wxl s LEU 46 CO 0.02 0.23 1.04 1.17 -0.29 0.00 0.00 176.35 178.53 1wxl n LYS 47 N 2.74 2.70 -0.00 1.98 4.81 -1.26 -3.20 118.16 125.92 1wxl n LYS 47 Ca -0.16 -1.37 0.06 0.00 -0.87 0.00 0.00 58.31 55.97 1wxl n LYS 47 Cb 0.53 -1.83 -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 1.17 0.00 0.00 177.40 178.32 1wxl n ASP 48 N 0.27 0.83 0.11 3.14 9.92 -1.26 -4.38 116.55 125.18 1wxl n ASP 48 Ca 0.12 -0.67 -0.00 0.00 -0.53 0.00 0.00 54.79 53.71 1wxl n ASP 48 Cb 0.66 1.10 -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 -0.03 -1.24 3.11 -1.84 0.45 116.57 117.01 1wxl h LYS 49 Ca 0.00 0.00 -0.11 0.00 -2.81 0.00 0.00 60.65 57.73 1wxl h LYS 49 Cb 0.35 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.56 1wxl h LYS 49 CO 0.00 0.62 -0.51 1.03 -2.81 0.00 0.00 179.45 177.78 1wxl h SER 50 N 0.00 0.09 0.06 4.20 0.87 -1.77 1.60 113.55 118.60 1wxl h SER 50 Ca -0.01 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1wxl h SER 50 Cb 1.49 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.43 1wxl h SER 50 CO 0.08 0.59 -0.64 2.29 -0.53 0.00 0.00 176.83 178.61 1wxl n LYS 51 N -3.94 0.62 -0.04 2.24 2.85 -1.15 -4.34 118.16 114.41 1wxl n LYS 51 Ca -0.02 -0.49 -0.07 0.00 -1.05 0.00 0.00 58.31 56.68 1wxl n LYS 51 Cb 0.53 -1.49 -0.04 0.00 -0.65 0.00 0.00 35.03 33.39 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 -0.76 0.00 -0.26 5.58 7.02 0.16 -4.51 117.44 124.68 1wxl n TRP 52 Ca 0.07 0.00 0.27 0.00 -1.02 0.00 0.00 57.50 56.83 1wxl n TRP 52 Cb 0.39 -0.33 0.65 0.00 -2.42 0.00 0.00 31.31 29.61 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 -0.09 0.15 -0.01 -0.99 4.11 0.21 1.08 114.58 119.05 1wxl h GLU 53 Ca -0.20 -0.01 -0.12 0.00 0.07 0.00 0.00 59.36 59.10 1wxl h GLU 53 Cb 1.27 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 1wxl h GLU 53 CO -0.06 0.10 -0.55 0.22 0.07 0.00 0.00 179.01 178.79 1wxl h ASP 54 N 0.15 0.02 -0.55 3.06 3.58 -1.76 -2.67 116.42 118.25 1wxl h ASP 54 Ca 0.50 -0.01 0.05 0.00 0.42 0.00 0.00 57.03 57.99 1wxl h ASP 54 Cb 1.71 -0.01 -0.05 0.00 1.72 0.00 0.00 39.33 42.71 1wxl h ASP 54 CO -0.10 0.56 0.29 0.00 -2.88 0.00 0.00 179.24 177.12 1wxl h ALA 55 N 1.44 0.72 0.21 -0.78 0.00 0.99 0.43 119.26 122.27 1wxl h ALA 55 Ca -0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1wxl h ALA 55 Cb 0.97 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1wxl h ALA 55 CO 0.07 -0.04 -0.21 0.00 0.00 0.00 0.00 179.25 179.07 1wxl h ALA 56 N 1.29 -0.42 -0.17 0.00 0.00 -1.32 0.62 119.26 119.27 1wxl h ALA 56 Ca 0.24 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 1wxl h ALA 56 Cb 0.14 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1wxl h ALA 56 CO -0.16 -0.76 -0.41 0.00 0.00 0.00 0.00 179.25 177.92 1wxl h ALA 57 N 0.28 0.97 -0.11 0.00 0.00 -1.35 0.86 119.26 119.91 1wxl h ALA 57 Ca -0.00 -0.43 -0.14 0.00 0.00 0.00 0.00 54.91 54.34 1wxl h ALA 57 Cb 0.42 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1wxl h ALA 57 CO -0.05 0.62 -0.55 1.57 0.00 0.00 0.00 179.25 180.85 1wxl h LYS 58 N 0.33 0.33 0.08 0.00 2.10 0.12 -1.95 116.57 117.58 1wxl h LYS 58 Ca 0.03 -0.20 -0.28 0.00 -2.00 0.00 0.00 60.65 58.19 1wxl h LYS 58 Cb 0.87 0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 32.20 1wxl h LYS 58 CO 0.07 0.79 -1.42 0.22 -2.00 0.00 0.00 179.45 177.11 1wxl h ASP 59 N 0.25 0.26 -0.36 7.07 3.58 0.47 -1.98 116.42 125.72 1wxl h ASP 59 Ca 0.00 -0.35 -0.14 0.00 0.42 0.00 0.00 57.03 56.96 1wxl h ASP 59 Cb 1.04 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.00 1wxl h ASP 59 CO 0.09 1.29 -0.30 0.07 -2.88 0.00 0.00 179.24 177.51 1wxl h LYS 60 N 0.05 0.88 0.00 0.28 2.10 -0.82 0.40 116.57 119.46 1wxl h LYS 60 Ca -0.19 -0.41 -0.12 0.00 -2.00 0.00 0.00 60.65 57.93 1wxl h LYS 60 Cb 1.96 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 33.26 1wxl h LYS 60 CO 0.15 1.06 -0.56 0.37 -2.00 0.00 0.00 179.45 178.46 1wxl h GLN 61 N 0.74 0.00 0.00 0.07 4.15 -1.46 -1.95 115.11 116.67 1wxl h GLN 61 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.50 1wxl h GLN 61 Cb 0.86 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.55 1wxl h GLN 61 CO 0.08 0.56 -0.84 -2.13 -1.93 0.00 0.00 178.83 174.57 1wxl n ARG 62 N -3.38 0.32 -0.01 1.69 0.63 -0.74 -1.86 116.66 113.32 1wxl n ARG 62 Ca 0.01 0.05 -0.22 0.00 -0.92 0.00 0.00 57.85 56.77 1wxl n ARG 62 Cb 0.70 -1.66 -0.14 0.00 0.45 0.00 0.00 32.46 31.81 1wxl n ARG 62 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 1wxl h TYR 63 N 0.00 0.40 0.00 -0.14 -1.99 -0.15 -3.32 116.97 111.77 1wxl h TYR 63 Ca 0.00 -0.29 -0.09 0.00 2.00 0.00 0.00 58.73 60.34 1wxl h TYR 63 Cb 0.76 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.46 1wxl h TYR 63 CO 0.00 1.61 -0.45 1.12 -0.00 0.00 0.00 178.16 180.44 1wxl h HIS 64 N -0.29 0.00 0.00 4.88 2.07 -1.49 1.41 115.15 121.72 1wxl h HIS 64 Ca -0.34 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.18 1wxl h HIS 64 Cb 1.78 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.76 1wxl h HIS 64 CO 0.11 0.45 0.00 -0.25 -3.07 0.00 0.00 177.93 175.17 1wxl n ASP 65 N -3.45 0.00 0.00 3.10 9.92 -0.78 -3.18 116.55 122.16 1wxl n ASP 65 Ca 0.00 0.04 0.00 0.00 -0.53 0.00 0.00 54.79 54.30 1wxl n ASP 65 Cb 0.59 -0.24 0.00 0.00 -0.64 0.00 0.00 41.12 40.83 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 -1.24 0.00 -0.52 -1.24 0.28 -1.14 -4.89 120.64 111.89 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 0.08 0.00 0.29 0.00 1.43 0.00 0.00 31.44 33.24 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 -0.96 3.41 -0.38 3.44 2.81 0.41 -4.57 117.12 121.28 1wxl n MET 67 Ca 0.00 -2.80 -0.01 0.00 -1.81 0.00 0.00 57.70 53.08 1wxl n MET 67 Cb 0.00 -1.85 0.04 0.00 -0.71 0.00 0.00 33.22 30.70 1wxl n MET 67 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1wxl n ARG 68 N 0.07 -0.22 -0.09 0.03 0.63 0.29 -1.54 116.66 115.84 1wxl n ARG 68 Ca 0.22 1.51 0.09 0.00 -0.92 0.00 0.00 57.85 58.75 1wxl n ARG 68 Cb 0.88 -2.24 0.13 0.00 0.45 0.00 0.00 32.46 31.69 1wxl n ARG 68 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1wxl n ASN 69 N -5.45 2.24 -4.78 6.15 0.23 -1.26 -4.86 115.26 107.54 1wxl n ASN 69 Ca 0.10 -3.01 -0.36 0.00 -0.53 0.00 0.00 54.58 50.78 1wxl n ASN 69 Cb 0.40 -0.41 -0.02 0.00 -2.08 0.00 0.00 39.78 37.66 1wxl n ASN 69 CO 0.00 0.00 0.00 -0.31 -0.93 0.00 0.00 177.26 176.02 1wxl s TYR 70 N -2.71 2.99 -0.20 -2.53 1.51 -0.59 -5.00 117.35 110.83 1wxl s TYR 70 Ca 0.30 1.58 -0.17 0.00 -1.01 0.00 0.00 57.07 57.76 1wxl s TYR 70 Cb 0.26 -3.22 -0.14 0.00 -0.11 0.00 0.00 41.96 38.75 1wxl s TYR 70 CO 0.03 -1.10 0.04 1.17 -1.11 0.00 0.00 175.55 174.58 1wxl n LYS 71 N -0.58 0.53 -0.49 -0.62 0.00 -1.26 -4.14 118.16 111.61 1wxl n LYS 71 Ca 0.08 0.53 -0.25 0.00 0.00 0.00 0.00 58.31 58.66 1wxl n LYS 71 Cb 0.50 -1.70 0.20 0.00 0.00 0.00 0.00 35.03 34.02 1wxl n LYS 71 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1wxl n PRO 72 N -4.47 -2.76 0.04 1.64 -0.02 -1.26 -3.69 135.00 124.47 1wxl n PRO 72 Ca -0.27 -0.81 -0.16 0.00 -2.02 0.00 0.00 63.50 60.24 1wxl n PRO 72 Cb 0.58 -1.69 -0.06 0.00 -0.02 0.00 0.00 33.50 32.31 1wxl n PRO 72 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1wxl h GLU 73 N -2.78 0.59 0.00 -0.52 -0.00 -1.87 -3.16 114.58 106.84 1wxl h GLU 73 Ca -0.38 -0.59 0.00 0.00 -0.00 0.00 0.00 59.36 58.39 1wxl h GLU 73 Cb 1.09 0.16 0.00 0.00 -0.00 0.00 0.00 28.75 29.99 1wxl h GLU 73 CO 0.26 1.20 0.00 0.00 -0.00 0.00 0.00 179.01 180.47