#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 -1.58 -4.34 0.66 8.25 -1.26 -5.15 115.22 111.80 1wxl n HIS 3 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.29 1wxl n HIS 3 Cb 0.00 0.49 -0.10 0.00 1.12 0.00 0.00 29.99 31.50 1wxl n HIS 3 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1wxl s MET 4 N -1.98 1.36 0.35 -0.41 -1.94 -1.26 -5.13 119.30 110.29 1wxl s MET 4 Ca 0.00 -1.70 -0.29 0.00 -1.71 0.00 0.00 55.69 52.00 1wxl s MET 4 Cb 0.00 -0.61 -0.11 0.00 2.01 0.00 0.00 34.83 36.12 1wxl s MET 4 CO 0.00 -0.11 1.44 -2.14 -0.01 0.00 0.00 175.02 174.20 1wxl s PRO 5 N -3.88 4.19 -0.09 2.03 0.02 -1.26 -4.90 135.00 131.12 1wxl s PRO 5 Ca 0.30 2.46 0.04 0.00 0.02 0.00 0.00 61.00 63.81 1wxl s PRO 5 Cb 0.06 -3.01 0.24 0.00 0.02 0.00 0.00 34.50 31.81 1wxl s PRO 5 CO 0.09 -0.44 0.96 1.63 -0.33 0.00 0.00 177.00 178.92 1wxl n LYS 6 N 0.84 2.00 -2.88 5.54 4.01 -1.26 -4.85 118.16 121.56 1wxl n LYS 6 Ca 0.02 -0.94 -0.18 0.00 -0.51 0.00 0.00 58.31 56.70 1wxl n LYS 6 Cb 0.40 -1.65 0.00 0.00 -0.51 0.00 0.00 35.03 33.27 1wxl n LYS 6 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 1wxl n ARG 7 N 0.15 -3.05 0.00 1.97 0.00 -1.26 -4.68 116.66 109.78 1wxl n ARG 7 Ca 0.10 0.60 0.00 0.00 -0.00 0.00 0.00 57.85 58.56 1wxl n ARG 7 Cb 0.61 -5.29 0.00 0.00 0.00 0.00 0.00 32.46 27.78 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 -2.91 0.00 -2.48 5.13 0.00 -1.26 -4.54 120.51 114.45 1wxl n ALA 8 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.03 1wxl n ALA 8 Cb 0.59 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.89 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 -1.89 2.62 0.66 0.00 2.01 -1.26 -4.94 115.64 112.84 1wxl s THR 9 Ca 0.00 -0.89 -0.16 0.00 0.31 0.00 0.00 61.69 60.96 1wxl s THR 9 Cb 0.00 -1.99 0.00 0.00 0.01 0.00 0.00 72.50 70.52 1wxl s THR 9 CO 0.00 0.58 1.14 0.42 -0.69 0.00 0.00 174.62 176.07 1wxl s THR 10 N -0.57 2.97 0.27 -0.82 -4.23 -1.26 -3.99 115.64 108.01 1wxl s THR 10 Ca 0.08 0.48 -0.02 0.00 -1.18 0.00 0.00 61.69 61.06 1wxl s THR 10 Cb -0.11 -3.03 0.30 0.00 1.34 0.00 0.00 72.50 71.00 1wxl s THR 10 CO 0.01 -0.25 1.65 0.00 -0.54 0.00 0.00 174.62 175.48 1wxl h ALA 11 N 0.13 1.09 -0.45 3.99 0.00 -1.88 0.67 119.26 122.80 1wxl h ALA 11 Ca -0.48 0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 1wxl h ALA 11 Cb 1.26 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 1wxl h ALA 11 CO 0.53 -0.44 -0.17 0.35 0.00 0.00 0.00 179.25 179.53 1wxl h PHE 12 N 0.18 0.98 0.18 0.00 3.04 -1.96 -2.23 116.94 117.13 1wxl h PHE 12 Ca 0.50 -0.21 -0.01 0.00 3.98 0.00 0.00 57.97 62.23 1wxl h PHE 12 Cb 0.95 -0.24 0.00 0.00 2.56 0.00 0.00 35.95 39.22 1wxl h PHE 12 CO -0.32 0.97 -0.09 0.52 -2.02 0.00 0.00 178.31 177.37 1wxl h MET 13 N 0.77 -0.24 -0.56 1.11 2.86 -0.67 0.14 114.93 118.34 1wxl h MET 13 Ca 0.11 0.02 0.11 0.00 -2.06 0.00 0.00 59.70 57.88 1wxl h MET 13 Cb 0.70 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.38 1wxl h MET 13 CO 0.05 0.16 0.38 1.37 1.06 0.00 0.00 176.91 179.93 1wxl h LEU 14 N -0.90 0.27 0.07 1.22 -0.00 0.03 0.83 115.31 116.85 1wxl h LEU 14 Ca -0.03 0.01 -0.12 0.00 -0.00 0.00 0.00 57.88 57.74 1wxl h LEU 14 Cb 0.51 -0.05 0.01 0.00 -0.00 0.00 0.00 40.66 41.13 1wxl h LEU 14 CO 0.04 0.16 -0.52 -0.25 -0.00 0.00 0.00 178.44 177.88 1wxl h TRP 15 N 0.30 0.38 0.00 0.17 7.01 -1.42 -2.88 115.95 119.52 1wxl h TRP 15 Ca 0.26 -0.26 0.00 0.00 2.11 0.00 0.00 58.89 61.00 1wxl h TRP 15 Cb 0.62 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.66 1wxl h TRP 15 CO -0.00 1.17 0.00 1.25 -2.79 0.00 0.00 178.44 178.07 1wxl h LEU 16 N -0.51 0.00 0.05 0.65 5.85 0.28 1.03 115.31 122.66 1wxl h LEU 16 Ca -0.09 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 1wxl h LEU 16 Cb 1.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.40 1wxl h LEU 16 CO 0.10 0.00 -0.03 -1.13 -0.34 0.00 0.00 178.44 177.04 1wxl h ASN 17 N 0.00 -0.06 1.82 1.25 -0.73 0.75 1.94 115.58 120.55 1wxl h ASN 17 Ca 0.00 -0.59 -0.04 0.00 1.87 0.00 0.00 56.30 57.54 1wxl h ASN 17 Cb 0.13 0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.73 1wxl h ASN 17 CO 0.00 0.64 -0.18 0.44 -0.37 0.00 0.00 177.43 177.96 1wxl h ASP 18 N -0.84 0.00 0.00 1.15 5.19 -1.20 -3.21 116.42 117.50 1wxl h ASP 18 Ca -0.01 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 56.16 1wxl h ASP 18 Cb 0.65 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.12 1wxl h ASP 18 CO 0.01 0.18 -2.09 0.41 -3.12 0.00 0.00 179.24 174.62 1wxl n THR 19 N -3.14 0.90 -0.22 0.35 -1.04 0.35 -4.00 114.28 107.48 1wxl n THR 19 Ca 0.03 -0.65 0.08 0.00 -2.04 0.00 0.00 64.05 61.47 1wxl n THR 19 Cb 0.60 -0.40 0.35 0.00 -1.82 0.00 0.00 70.33 69.06 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 0.73 -0.78 -2.82 2.43 0.30 1.79 114.38 116.04 1wxl h ARG 20 Ca -0.36 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.75 1wxl h ARG 20 Cb 1.78 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 31.13 1wxl h ARG 20 CO 0.02 0.48 0.44 1.05 -1.51 0.00 0.00 179.97 180.45 1wxl h GLU 21 N 0.75 1.09 0.00 0.20 4.11 -1.69 -0.93 114.58 118.11 1wxl h GLU 21 Ca 0.36 -0.12 0.00 0.00 0.07 0.00 0.00 59.36 59.67 1wxl h GLU 21 Cb 0.41 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1wxl h GLU 21 CO -0.14 0.80 0.00 0.77 0.07 0.00 0.00 179.01 180.51 1wxl h SER 22 N 1.08 0.00 0.15 3.06 0.02 0.22 -2.96 113.55 115.12 1wxl h SER 22 Ca 0.28 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.96 1wxl h SER 22 Cb 0.02 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.57 1wxl h SER 22 CO -0.05 0.00 -1.26 0.40 -1.14 0.00 0.00 176.83 174.78 1wxl h ILE 23 N 0.00 1.21 -0.03 3.27 2.04 0.19 -2.89 117.51 121.29 1wxl h ILE 23 Ca 0.00 -2.49 -0.09 0.00 1.00 0.00 0.00 64.86 63.28 1wxl h ILE 23 Cb 0.45 2.92 -0.01 0.00 -0.74 0.00 0.00 36.82 39.44 1wxl h ILE 23 CO 0.00 0.74 -0.40 0.50 0.00 0.00 0.00 178.15 178.98 1wxl h LYS 24 N -0.23 0.06 -0.40 2.37 1.63 -1.31 0.16 116.57 118.85 1wxl h LYS 24 Ca -0.25 -0.03 -0.12 0.00 -0.85 0.00 0.00 60.65 59.40 1wxl h LYS 24 Cb 1.81 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.43 1wxl h LYS 24 CO 0.13 0.46 -0.22 0.07 -3.45 0.00 0.00 179.45 176.43 1wxl h ARG 25 N 0.05 0.86 0.00 1.90 0.11 -1.63 0.41 114.38 116.08 1wxl h ARG 25 Ca 0.00 -0.39 0.00 0.00 0.10 0.00 0.00 59.98 59.70 1wxl h ARG 25 Cb 0.74 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.80 1wxl h ARG 25 CO 0.05 1.03 0.00 0.39 0.10 0.00 0.00 179.97 181.54 1wxl n GLU 26 N -4.21 0.18 -2.99 0.08 -0.58 -0.87 -3.89 120.64 108.36 1wxl n GLU 26 Ca -0.02 0.39 -0.14 0.00 -0.42 0.00 0.00 57.16 56.97 1wxl n GLU 26 Cb 0.45 -1.83 -0.02 0.00 -0.57 0.00 0.00 31.44 29.47 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 -1.92 -1.94 1.62 3.02 0.51 -5.02 115.26 109.37 1wxl n ASN 27 Ca 0.02 -2.85 -0.04 0.00 -0.03 0.00 0.00 54.58 51.69 1wxl n ASN 27 Cb 0.23 0.78 -0.05 0.00 -0.61 0.00 0.00 39.78 40.13 1wxl n ASN 27 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1wxl n PRO 28 N 2.28 0.95 -0.25 3.52 -0.04 0.14 -2.63 135.00 138.97 1wxl n PRO 28 Ca 0.19 -0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1wxl n PRO 28 Cb 0.55 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 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 2.20 0.78 0.00 0.55 0.00 -1.26 -5.09 105.19 102.37 1wxl n GLY 29 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.87 -0.61 -5.35 -1.08 -5.13 119.36 103.32 1wxl n ILE 30 Ca 0.00 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.37 1wxl n ILE 30 Cb 0.39 -0.17 -0.11 0.00 -1.74 0.00 0.00 39.64 38.02 1wxl n ILE 30 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1wxl s LYS 31 N 2.27 0.38 0.29 6.28 -0.14 -1.26 -5.00 119.74 122.55 1wxl s LYS 31 Ca 0.00 -0.26 0.20 0.00 -1.36 0.00 0.00 55.97 54.55 1wxl s LYS 31 Cb 0.00 0.16 0.98 0.00 -1.68 0.00 0.00 37.83 37.29 1wxl s LYS 31 CO 0.00 -0.08 1.04 1.55 -0.76 0.00 0.00 175.35 177.10 1wxl n VAL 32 N 1.89 -0.19 0.14 3.17 3.14 -1.26 0.25 118.33 125.47 1wxl n VAL 32 Ca -0.20 1.22 0.11 0.00 -2.96 0.00 0.00 64.34 62.52 1wxl n VAL 32 Cb 0.56 -2.00 0.05 0.00 -1.06 0.00 0.00 33.84 31.39 1wxl n VAL 32 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1wxl h THR 33 N 0.00 0.01 -0.05 1.55 1.03 -2.00 -3.30 112.91 110.16 1wxl h THR 33 Ca 0.58 -1.02 -0.19 0.00 -0.01 0.00 0.00 66.41 65.77 1wxl h THR 33 Cb 1.83 1.65 -0.01 0.00 -1.07 0.00 0.00 68.15 70.55 1wxl h THR 33 CO -0.34 0.01 -0.78 -0.08 -0.01 0.00 0.00 175.52 174.31 1wxl h GLU 34 N 0.00 0.35 -0.64 0.00 4.81 0.30 -2.46 114.58 116.94 1wxl h GLU 34 Ca -0.00 -0.31 -0.02 0.00 -0.13 0.00 0.00 59.36 58.90 1wxl h GLU 34 Cb 1.01 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.43 1wxl h GLU 34 CO 0.00 0.97 0.32 0.82 -0.73 0.00 0.00 179.01 180.40 1wxl h ILE 35 N 0.23 1.22 0.00 2.32 2.04 -1.55 0.27 117.51 122.03 1wxl h ILE 35 Ca -0.04 -0.59 -0.03 0.00 1.00 0.00 0.00 64.86 65.20 1wxl h ILE 35 Cb 1.37 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 37.87 1wxl h ILE 35 CO 0.13 0.24 -0.16 0.00 0.00 0.00 0.00 178.15 178.37 1wxl h ALA 36 N 1.15 1.01 0.00 1.87 0.00 -1.61 -0.97 119.26 120.71 1wxl h ALA 36 Ca 0.22 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.82 1wxl h ALA 36 Cb 0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1wxl h ALA 36 CO -0.03 0.20 -1.23 1.63 0.00 0.00 0.00 179.25 179.82 1wxl n LYS 37 N -3.30 0.53 0.00 0.00 4.01 -0.84 -3.61 118.16 114.95 1wxl n LYS 37 Ca 0.00 0.44 0.13 0.00 -0.51 0.00 0.00 58.31 58.37 1wxl n LYS 37 Cb 0.40 -1.63 0.67 0.00 -0.51 0.00 0.00 35.03 33.96 1wxl n LYS 37 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1wxl n LYS 38 N -4.46 0.45 0.04 1.97 0.00 0.88 -2.50 118.16 114.53 1wxl n LYS 38 Ca -0.26 0.04 -0.20 0.00 0.00 0.00 0.00 58.31 57.89 1wxl n LYS 38 Cb 0.56 -1.50 -0.14 0.00 0.00 0.00 0.00 35.03 33.95 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 4.23 0.33 1.24 3.14 0.00 -1.30 -3.34 103.07 107.39 1wxl h GLY 39 Ca 0.00 -0.85 -0.01 0.00 0.00 0.00 0.00 47.33 46.47 1wxl h GLY 39 CO 0.00 0.75 0.43 -1.33 0.00 0.00 0.00 176.54 176.39 1wxl h GLY 40 N 1.22 1.07 0.82 4.60 0.00 -1.55 0.32 103.07 109.55 1wxl h GLY 40 Ca -0.36 -0.45 0.04 0.00 0.00 0.00 0.00 47.33 46.56 1wxl h GLY 40 CO 0.13 0.43 0.46 1.05 0.00 0.00 0.00 176.54 178.62 1wxl h GLU 41 N 1.02 0.86 0.08 4.80 4.11 -1.65 0.19 114.58 123.99 1wxl h GLU 41 Ca 0.26 -0.05 -0.26 0.00 0.07 0.00 0.00 59.36 59.39 1wxl h GLU 41 Cb -0.03 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.04 1wxl h GLU 41 CO -0.05 0.57 -1.11 0.00 0.07 0.00 0.00 179.01 178.49 1wxl h MET 42 N 0.89 0.36 0.20 1.06 -0.00 -1.52 -3.25 114.93 112.68 1wxl h MET 42 Ca 0.31 -0.49 -0.01 0.00 -0.00 0.00 0.00 59.70 59.51 1wxl h MET 42 Cb 0.07 0.16 0.00 0.00 -0.00 0.00 0.00 31.60 31.83 1wxl h MET 42 CO -0.13 1.18 -0.10 2.35 -0.00 0.00 0.00 176.91 180.22 1wxl h TRP 43 N 0.16 -0.25 -0.59 -0.10 2.91 0.12 0.29 115.95 118.48 1wxl h TRP 43 Ca -0.12 -0.01 0.11 0.00 1.13 0.00 0.00 58.89 60.00 1wxl h TRP 43 Cb 1.79 0.08 -0.08 0.00 -0.51 0.00 0.00 29.16 30.45 1wxl h TRP 43 CO 0.07 -0.01 0.15 0.87 -1.03 0.00 0.00 178.44 178.49 1wxl h LYS 44 N -0.46 0.29 -0.06 2.65 6.56 -0.76 0.69 116.57 125.47 1wxl h LYS 44 Ca -0.03 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 1wxl h LYS 44 Cb 0.35 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 31.95 1wxl h LYS 44 CO 0.05 0.19 0.00 0.39 -2.06 0.00 0.00 179.45 178.02 1wxl n GLU 45 N -5.09 1.55 -2.82 3.15 -0.58 -1.18 -4.87 120.64 110.78 1wxl n GLU 45 Ca 0.09 -0.80 -0.40 0.00 -0.42 0.00 0.00 57.16 55.62 1wxl n GLU 45 Cb 0.30 -1.44 -0.05 0.00 -0.57 0.00 0.00 31.44 29.68 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 -1.82 4.55 -0.05 -4.62 0.20 0.10 -4.95 118.68 112.10 1wxl s LEU 46 Ca 0.36 1.76 0.13 0.00 0.69 0.00 0.00 54.13 57.08 1wxl s LEU 46 Cb 0.19 -3.48 0.47 0.00 -0.43 0.00 0.00 46.19 42.94 1wxl s LEU 46 CO 0.30 0.07 1.36 0.29 -0.29 0.00 0.00 176.35 178.08 1wxl n LYS 47 N 2.18 2.60 -0.29 1.98 4.01 -1.26 -3.29 118.16 124.08 1wxl n LYS 47 Ca -0.01 -1.89 0.07 0.00 -0.51 0.00 0.00 58.31 55.97 1wxl n LYS 47 Cb 0.49 -1.58 0.20 0.00 -0.51 0.00 0.00 35.03 33.63 1wxl n LYS 47 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1wxl n ASP 48 N 0.79 3.38 0.21 4.39 8.00 -1.26 -4.35 116.55 127.71 1wxl n ASP 48 Ca 0.17 -2.31 -0.10 0.00 0.71 0.00 0.00 54.79 53.26 1wxl n ASP 48 Cb 0.56 -0.35 -0.05 0.00 -0.02 0.00 0.00 41.12 41.26 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 2.22 -0.58 -0.77 -1.24 3.64 -1.83 -0.61 116.57 117.40 1wxl h LYS 49 Ca 0.00 0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.47 1wxl h LYS 49 Cb 0.99 0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.90 1wxl h LYS 49 CO 0.08 -0.35 0.51 0.66 -2.27 0.00 0.00 179.45 178.08 1wxl h SER 50 N -1.13 0.76 0.66 4.20 4.64 -1.84 5.26 113.55 126.11 1wxl h SER 50 Ca -0.06 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1wxl h SER 50 Cb 0.50 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1wxl h SER 50 CO 0.10 0.51 0.00 0.50 -0.87 0.00 0.00 176.83 177.07 1wxl h LYS 51 N 0.88 0.00 0.00 4.77 3.11 -1.74 -3.10 116.57 120.49 1wxl h LYS 51 Ca 0.32 0.00 -0.15 0.00 -2.81 0.00 0.00 60.65 58.01 1wxl h LYS 51 Cb 0.15 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.36 1wxl h LYS 51 CO -0.10 0.00 -1.56 0.91 -2.81 0.00 0.00 179.45 175.89 1wxl n TRP 52 N -2.88 0.00 -0.24 1.91 7.02 0.11 -4.52 117.44 118.84 1wxl n TRP 52 Ca -0.00 0.00 0.31 0.00 -1.02 0.00 0.00 57.50 56.79 1wxl n TRP 52 Cb 0.22 -0.40 0.74 0.00 -2.42 0.00 0.00 31.31 29.44 1wxl n TRP 52 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 1wxl h GLU 53 N 0.00 0.00 -0.05 -0.99 5.08 1.04 1.26 114.58 120.92 1wxl h GLU 53 Ca -0.22 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.09 1wxl h GLU 53 Cb 1.49 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.73 1wxl h GLU 53 CO 0.01 0.00 -0.19 -0.44 -1.00 0.00 0.00 179.01 177.39 1wxl h ASP 54 N 0.00 0.07 -0.32 1.42 3.32 -1.76 0.27 116.42 119.43 1wxl h ASP 54 Ca 0.48 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.52 1wxl h ASP 54 Cb 1.97 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 41.49 1wxl h ASP 54 CO -0.01 0.27 0.20 0.00 -1.72 0.00 0.00 179.24 177.99 1wxl h ALA 55 N 1.74 0.40 0.03 3.45 0.00 0.13 0.37 119.26 125.38 1wxl h ALA 55 Ca 0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1wxl h ALA 55 Cb 0.38 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1wxl h ALA 55 CO 0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 179.25 179.14 1wxl h ALA 56 N 1.10 -0.05 0.00 0.00 0.00 -0.91 0.76 119.26 120.16 1wxl h ALA 56 Ca 0.12 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1wxl h ALA 56 Cb -0.03 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1wxl h ALA 56 CO -0.02 -0.44 -0.20 0.00 0.00 0.00 0.00 179.25 178.58 1wxl h ALA 57 N 0.75 1.02 0.17 0.00 0.00 -0.45 -2.20 119.26 118.55 1wxl h ALA 57 Ca -0.00 -0.18 -0.35 0.00 0.00 0.00 0.00 54.91 54.37 1wxl h ALA 57 Cb 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1wxl h ALA 57 CO 0.01 0.25 -1.79 1.57 0.00 0.00 0.00 179.25 179.28 1wxl h LYS 58 N 0.00 0.36 -0.30 0.00 2.10 -0.09 -3.32 116.57 115.32 1wxl h LYS 58 Ca -0.00 -0.62 -0.05 0.00 -2.00 0.00 0.00 60.65 57.97 1wxl h LYS 58 Cb 0.72 0.23 -0.02 0.00 -0.90 0.00 0.00 32.23 32.26 1wxl h LYS 58 CO 0.03 1.29 -0.05 0.22 -2.00 0.00 0.00 179.45 178.94 1wxl h ASP 59 N 0.10 0.45 -0.04 7.07 3.58 0.60 0.31 116.42 128.49 1wxl h ASP 59 Ca -0.36 -0.09 0.01 0.00 0.42 0.00 0.00 57.03 57.01 1wxl h ASP 59 Cb 2.09 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 43.02 1wxl h ASP 59 CO 0.16 0.55 0.04 0.07 -2.88 0.00 0.00 179.24 177.18 1wxl h LYS 60 N 0.45 0.00 0.08 0.28 2.10 -1.51 0.31 116.57 118.28 1wxl h LYS 60 Ca 0.09 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.49 1wxl h LYS 60 Cb 0.37 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.69 1wxl h LYS 60 CO 0.02 0.00 -1.32 0.37 -2.00 0.00 0.00 179.45 176.51 1wxl h GLN 61 N 0.00 0.16 0.00 0.07 5.75 -1.12 -2.73 115.11 117.24 1wxl h GLN 61 Ca 0.02 -0.28 0.00 0.00 -0.15 0.00 0.00 58.65 58.24 1wxl h GLN 61 Cb 0.10 0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.75 1wxl h GLN 61 CO -0.00 1.13 0.00 -0.09 -2.65 0.00 0.00 178.83 177.22 1wxl h ARG 62 N -0.50 0.00 0.00 1.69 2.43 -0.44 0.85 114.38 118.41 1wxl h ARG 62 Ca -0.31 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 58.71 1wxl h ARG 62 Cb 1.61 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.14 1wxl h ARG 62 CO -0.01 0.00 -0.94 1.88 -1.51 0.00 0.00 179.97 179.39 1wxl h TYR 63 N 0.00 0.00 0.00 2.20 -1.99 -0.54 -3.25 116.97 113.39 1wxl h TYR 63 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1wxl h TYR 63 Cb 0.54 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.27 1wxl h TYR 63 CO 0.00 1.05 0.00 1.12 -0.00 0.00 0.00 178.16 180.33 1wxl h HIS 64 N -1.00 0.00 0.00 4.88 2.07 -1.50 2.67 115.15 122.27 1wxl h HIS 64 Ca -0.23 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.29 1wxl h HIS 64 Cb 1.05 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.03 1wxl h HIS 64 CO 0.03 0.00 -0.04 -0.44 -3.07 0.00 0.00 177.93 174.41 1wxl h ASP 65 N 0.00 0.00 0.00 3.10 3.32 -0.91 -2.99 116.42 118.95 1wxl h ASP 65 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1wxl h ASP 65 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1wxl h ASP 65 CO 0.00 0.00 -0.72 -0.62 -1.72 0.00 0.00 179.24 176.18 1wxl n GLU 66 N -2.94 0.00 -0.09 3.56 1.02 -0.24 -4.79 120.64 117.16 1wxl n GLU 66 Ca 0.04 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.08 1wxl n GLU 66 Cb 0.51 -0.54 -0.03 0.00 -0.02 0.00 0.00 31.44 31.36 1wxl n GLU 66 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wxl h MET 67 N 0.00 0.43 -1.16 3.49 -0.00 0.44 1.14 114.93 119.28 1wxl h MET 67 Ca 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 59.70 59.60 1wxl h MET 67 Cb 0.72 -0.06 0.00 0.00 -0.00 0.00 0.00 31.60 32.26 1wxl h MET 67 CO 0.00 0.52 0.00 2.89 -0.00 0.00 0.00 176.91 180.32 1wxl n ARG 68 N -4.70 0.07 0.15 -0.10 1.85 -1.13 -2.69 116.66 110.10 1wxl n ARG 68 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.82 1wxl n ARG 68 Cb 0.18 -1.29 0.00 0.00 -1.05 0.00 0.00 32.46 30.30 1wxl n ARG 68 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 1wxl n ASN 69 N 0.76 -2.63 -1.96 2.89 0.23 -1.02 -5.00 115.26 108.54 1wxl n ASN 69 Ca 0.00 0.57 -0.07 0.00 -0.53 0.00 0.00 54.58 54.56 1wxl n ASN 69 Cb 0.03 2.62 -0.01 0.00 -2.08 0.00 0.00 39.78 40.33 1wxl n ASN 69 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1wxl n TYR 70 N -3.11 -1.29 -0.02 -2.53 0.18 0.39 -4.81 117.16 105.97 1wxl n TYR 70 Ca 0.00 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.65 1wxl n TYR 70 Cb 0.00 -1.87 -0.11 0.00 -0.38 0.00 0.00 39.34 36.98 1wxl n TYR 70 CO 0.00 0.00 0.00 -0.22 -2.08 0.00 0.00 176.86 174.56 1wxl h LYS 71 N 0.00 -0.01 -7.57 -3.48 3.64 -1.90 -3.46 116.57 103.78 1wxl h LYS 71 Ca -0.15 0.00 -0.44 0.00 -1.27 0.00 0.00 60.65 58.79 1wxl h LYS 71 Cb 0.84 0.00 0.16 0.00 -0.41 0.00 0.00 32.23 32.82 1wxl h LYS 71 CO 0.19 0.60 0.29 -1.25 -2.27 0.00 0.00 179.45 177.01 1wxl s PRO 72 N -3.69 0.25 -0.53 1.90 0.04 -1.26 -5.05 135.00 126.67 1wxl s PRO 72 Ca -0.16 -0.05 0.05 0.00 0.04 0.00 0.00 61.00 60.87 1wxl s PRO 72 Cb 0.00 -1.77 0.18 0.00 0.04 0.00 0.00 34.50 32.95 1wxl s PRO 72 CO 0.67 -2.73 0.42 0.39 0.04 0.00 0.00 177.00 175.78 1wxl n GLU 73 N -4.07 0.90 0.00 4.56 -0.58 -1.26 -5.17 120.64 115.01 1wxl n GLU 73 Ca 0.11 -3.71 0.16 0.00 -0.42 0.00 0.00 57.16 53.30 1wxl n GLU 73 Cb 0.59 -1.89 0.92 0.00 -0.57 0.00 0.00 31.44 30.50 1wxl n GLU 73 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65