#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 0.00 -3.72 0.66 1.44 -1.26 -5.07 115.22 107.27 1wxl n HIS 3 Ca 0.00 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.59 1wxl n HIS 3 Cb 0.00 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.04 1wxl n HIS 3 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1wxl s MET 4 N -0.87 0.84 0.53 -1.40 0.00 -1.26 0.58 119.30 117.72 1wxl s MET 4 Ca 0.00 -0.40 -0.21 0.00 0.00 0.00 0.00 55.69 55.07 1wxl s MET 4 Cb 0.00 0.37 -0.05 0.00 0.00 0.00 0.00 34.83 35.14 1wxl s MET 4 CO 0.00 -0.27 1.23 -1.25 0.00 0.00 0.00 175.02 174.72 1wxl s PRO 5 N -2.36 3.32 -0.01 3.16 0.04 -1.26 -4.95 135.00 132.94 1wxl s PRO 5 Ca -0.06 1.90 0.10 0.00 0.04 0.00 0.00 61.00 62.98 1wxl s PRO 5 Cb -0.01 -2.19 0.29 0.00 0.04 0.00 0.00 34.50 32.63 1wxl s PRO 5 CO -0.02 -0.94 1.24 0.36 0.04 0.00 0.00 177.00 177.68 1wxl n LYS 6 N -1.03 2.88 -1.81 4.56 2.85 -1.26 -4.97 118.16 119.38 1wxl n LYS 6 Ca 0.10 -2.04 -0.07 0.00 -1.05 0.00 0.00 58.31 55.25 1wxl n LYS 6 Cb 0.48 -1.27 -0.02 0.00 -0.65 0.00 0.00 35.03 33.57 1wxl n LYS 6 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1wxl n ARG 7 N 0.40 -1.84 0.00 -1.58 5.12 -1.26 -4.64 116.66 112.86 1wxl n ARG 7 Ca 0.11 0.36 0.00 0.00 -1.93 0.00 0.00 57.85 56.39 1wxl n ARG 7 Cb 0.43 -4.70 0.00 0.00 -1.16 0.00 0.00 32.46 27.04 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 -1.26 0.00 -2.37 7.54 0.00 -1.26 -4.44 120.51 118.72 1wxl n ALA 8 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.05 1wxl n ALA 8 Cb 0.39 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.69 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 -2.03 2.38 0.60 0.00 2.01 -1.26 -4.95 115.64 112.38 1wxl s THR 9 Ca 0.00 -1.07 -0.18 0.00 0.31 0.00 0.00 61.69 60.75 1wxl s THR 9 Cb 0.00 -1.89 -0.03 0.00 0.01 0.00 0.00 72.50 70.59 1wxl s THR 9 CO 0.00 0.52 1.13 0.42 -0.69 0.00 0.00 174.62 176.01 1wxl s THR 10 N -0.70 3.10 0.28 -0.82 -4.23 -1.26 -3.90 115.64 108.11 1wxl s THR 10 Ca 0.11 0.62 -0.01 0.00 -1.18 0.00 0.00 61.69 61.23 1wxl s THR 10 Cb -0.10 -3.19 0.32 0.00 1.34 0.00 0.00 72.50 70.87 1wxl s THR 10 CO 0.00 -0.21 1.63 0.00 -0.54 0.00 0.00 174.62 175.50 1wxl h ALA 11 N 0.71 1.09 -0.31 3.99 0.00 -1.87 0.95 119.26 123.82 1wxl h ALA 11 Ca -0.49 0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 1wxl h ALA 11 Cb 1.26 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 1wxl h ALA 11 CO 0.55 -0.47 -0.26 0.35 0.00 0.00 0.00 179.25 179.42 1wxl h PHE 12 N 0.14 0.69 0.23 0.00 3.04 -1.94 -2.18 116.94 116.92 1wxl h PHE 12 Ca 0.51 -0.16 -0.01 0.00 3.98 0.00 0.00 57.97 62.29 1wxl h PHE 12 Cb 1.01 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 39.35 1wxl h PHE 12 CO -0.36 0.81 -0.11 0.52 -2.02 0.00 0.00 178.31 177.15 1wxl h MET 13 N 0.53 -0.30 -0.39 1.11 2.86 0.09 0.65 114.93 119.48 1wxl h MET 13 Ca 0.07 0.02 0.11 0.00 -2.06 0.00 0.00 59.70 57.84 1wxl h MET 13 Cb 0.73 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.44 1wxl h MET 13 CO 0.06 -0.04 0.29 1.37 1.06 0.00 0.00 176.91 179.64 1wxl h LEU 14 N -1.02 0.00 0.10 1.22 -0.00 0.47 0.92 115.31 117.00 1wxl h LEU 14 Ca -0.03 0.00 -0.21 0.00 -0.00 0.00 0.00 57.88 57.64 1wxl h LEU 14 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.06 1wxl h LEU 14 CO 0.05 0.00 -1.04 -0.25 -0.00 0.00 0.00 178.44 177.21 1wxl h TRP 15 N 0.00 0.38 0.00 0.17 7.01 -1.45 -3.02 115.95 119.04 1wxl h TRP 15 Ca 0.18 -0.28 0.00 0.00 2.11 0.00 0.00 58.89 60.91 1wxl h TRP 15 Cb 0.75 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.80 1wxl h TRP 15 CO 0.00 1.40 0.00 1.25 -2.79 0.00 0.00 178.44 178.30 1wxl h LEU 16 N -0.47 0.00 0.11 0.65 5.85 0.09 1.31 115.31 122.84 1wxl h LEU 16 Ca -0.22 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 1wxl h LEU 16 Cb 1.59 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.62 1wxl h LEU 16 CO 0.06 0.00 -0.05 0.78 -0.34 0.00 0.00 178.44 178.89 1wxl h ASN 17 N 0.00 -0.12 1.05 1.25 2.35 0.83 2.21 115.58 123.14 1wxl h ASN 17 Ca 0.00 -0.45 -0.13 0.00 -0.55 0.00 0.00 56.30 55.17 1wxl h ASN 17 Cb 0.10 0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 1wxl h ASN 17 CO 0.00 0.45 -0.63 -0.78 -1.65 0.00 0.00 177.43 174.83 1wxl h ASP 18 N -0.77 0.00 0.00 5.81 1.82 -1.22 -3.22 116.42 118.84 1wxl h ASP 18 Ca -0.01 0.00 -0.24 0.00 -0.39 0.00 0.00 57.03 56.38 1wxl h ASP 18 Cb 0.56 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.53 1wxl h ASP 18 CO 0.02 0.63 -2.15 0.41 -1.61 0.00 0.00 179.24 176.55 1wxl n THR 19 N -3.43 0.92 0.03 2.25 -1.04 0.44 -3.95 114.28 109.50 1wxl n THR 19 Ca 0.00 -0.68 0.05 0.00 -2.04 0.00 0.00 64.05 61.38 1wxl n THR 19 Cb 0.72 -0.37 0.46 0.00 -1.82 0.00 0.00 70.33 69.32 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 0.45 -0.59 -2.82 0.11 0.36 1.48 114.38 113.37 1wxl h ARG 20 Ca -0.36 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.69 1wxl h ARG 20 Cb 1.80 -0.10 -0.03 0.00 1.11 0.00 0.00 29.97 32.75 1wxl h ARG 20 CO 0.02 0.30 0.38 1.49 0.10 0.00 0.00 179.97 182.25 1wxl h GLU 21 N 0.46 0.79 0.00 0.08 4.81 -1.66 0.13 114.58 119.19 1wxl h GLU 21 Ca 0.14 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1wxl h GLU 21 Cb -0.02 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.19 1wxl h GLU 21 CO -0.03 0.54 0.00 0.43 -0.73 0.00 0.00 179.01 179.22 1wxl n SER 22 N -4.65 0.55 0.06 1.04 7.64 0.45 -2.69 113.62 116.02 1wxl n SER 22 Ca 0.04 0.67 -0.23 0.00 1.01 0.00 0.00 58.87 60.37 1wxl n SER 22 Cb 0.04 -0.78 -0.15 0.00 -1.01 0.00 0.00 64.21 62.31 1wxl n SER 22 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1wxl h ILE 23 N 0.00 1.02 0.00 0.44 2.04 0.29 -3.15 117.51 118.15 1wxl h ILE 23 Ca 0.00 -2.50 -0.11 0.00 1.00 0.00 0.00 64.86 63.25 1wxl h ILE 23 Cb 0.23 2.80 -0.02 0.00 -0.74 0.00 0.00 36.82 39.10 1wxl h ILE 23 CO 0.00 0.81 -0.50 0.50 0.00 0.00 0.00 178.15 178.95 1wxl h LYS 24 N -0.02 0.00 -0.20 2.37 1.63 -1.16 -1.93 116.57 117.27 1wxl h LYS 24 Ca -0.32 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.43 1wxl h LYS 24 Cb 2.00 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.62 1wxl h LYS 24 CO 0.16 0.50 -0.07 0.07 -3.45 0.00 0.00 179.45 176.66 1wxl h ARG 25 N 0.00 0.40 0.00 1.90 0.11 -1.66 0.36 114.38 115.48 1wxl h ARG 25 Ca -0.01 -0.16 0.00 0.00 0.10 0.00 0.00 59.98 59.91 1wxl h ARG 25 Cb 0.94 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.00 1wxl h ARG 25 CO 0.07 0.67 0.00 -0.85 0.10 0.00 0.00 179.97 179.96 1wxl n GLU 26 N -4.60 0.04 -2.91 0.08 0.28 -1.14 -3.62 120.64 108.77 1wxl n GLU 26 Ca -0.05 0.35 -0.13 0.00 -0.16 0.00 0.00 57.16 57.17 1wxl n GLU 26 Cb 0.30 -1.59 0.00 0.00 1.43 0.00 0.00 31.44 31.59 1wxl n GLU 26 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1wxl n ASN 27 N -1.66 -2.08 -2.10 -1.84 3.02 -0.74 -5.02 115.26 104.84 1wxl n ASN 27 Ca 0.02 -3.01 -0.03 0.00 -0.03 0.00 0.00 54.58 51.53 1wxl n ASN 27 Cb 0.14 1.03 -0.05 0.00 -0.61 0.00 0.00 39.78 40.29 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 1.94 0.74 -0.17 3.52 -0.02 0.12 -2.29 135.00 138.84 1wxl n PRO 28 Ca 0.15 -0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 1wxl n PRO 28 Cb 0.58 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 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 2.43 0.74 0.00 -1.23 0.00 -1.26 -5.09 105.19 100.78 1wxl n GLY 29 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.62 -0.61 -5.35 -0.97 -5.13 119.36 103.68 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 0.37 -0.34 -0.06 0.00 -1.74 0.00 0.00 39.64 37.87 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 1.50 0.97 0.39 6.28 -0.14 -1.26 -5.00 119.74 122.48 1wxl s LYS 31 Ca 0.00 -0.27 0.34 0.00 -1.36 0.00 0.00 55.97 54.68 1wxl s LYS 31 Cb 0.00 0.44 1.23 0.00 -1.68 0.00 0.00 37.83 37.82 1wxl s LYS 31 CO 0.00 -0.34 1.14 1.55 -0.76 0.00 0.00 175.35 176.94 1wxl n VAL 32 N 0.51 -0.04 0.09 3.17 3.14 -1.26 0.22 118.33 124.16 1wxl n VAL 32 Ca -0.19 1.14 -0.03 0.00 -2.96 0.00 0.00 64.34 62.31 1wxl n VAL 32 Cb 0.60 -1.90 -0.05 0.00 -1.06 0.00 0.00 33.84 31.42 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 1.27 0.00 1.55 1.35 -1.99 -2.79 112.91 112.31 1wxl h THR 33 Ca 0.68 -2.82 0.00 0.00 -0.55 0.00 0.00 66.41 63.72 1wxl h THR 33 Cb 2.61 2.62 0.00 0.00 -1.73 0.00 0.00 68.15 71.65 1wxl h THR 33 CO -0.09 0.73 -0.53 -0.08 -0.25 0.00 0.00 175.52 175.30 1wxl h GLU 34 N 0.00 0.00 0.06 4.72 4.81 0.23 -2.45 114.58 121.95 1wxl h GLU 34 Ca -0.02 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1wxl h GLU 34 Cb 1.60 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.98 1wxl h GLU 34 CO 0.10 0.00 -0.03 0.82 -0.73 0.00 0.00 179.01 179.17 1wxl h ILE 35 N 0.00 1.17 0.00 2.32 2.04 -1.38 0.24 117.51 121.89 1wxl h ILE 35 Ca 0.00 -1.57 -0.03 0.00 1.00 0.00 0.00 64.86 64.26 1wxl h ILE 35 Cb 0.93 2.08 -0.00 0.00 -0.74 0.00 0.00 36.82 39.08 1wxl h ILE 35 CO 0.00 0.35 -0.15 0.00 0.00 0.00 0.00 178.15 178.35 1wxl h ALA 36 N -0.17 1.09 0.00 1.87 0.00 -1.60 -1.76 119.26 118.70 1wxl h ALA 36 Ca -0.01 -0.13 -0.27 0.00 0.00 0.00 0.00 54.91 54.50 1wxl h ALA 36 Cb 0.63 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1wxl h ALA 36 CO 0.01 0.18 -1.56 1.17 0.00 0.00 0.00 179.25 179.06 1wxl n LYS 37 N -3.40 0.56 0.00 0.00 4.81 -0.92 -3.70 118.16 115.51 1wxl n LYS 37 Ca -0.01 0.46 0.07 0.00 -0.87 0.00 0.00 58.31 57.97 1wxl n LYS 37 Cb 0.34 -1.65 0.34 0.00 0.02 0.00 0.00 35.03 34.08 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 -4.40 0.05 -0.02 1.64 -0.00 0.83 -2.71 118.16 113.55 1wxl n LYS 38 Ca -0.36 0.22 -0.21 0.00 -0.00 0.00 0.00 58.31 57.96 1wxl n LYS 38 Cb 0.69 -1.50 -0.13 0.00 -0.00 0.00 0.00 35.03 34.09 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 2.61 0.21 0.87 2.58 0.00 -1.46 -3.32 103.07 104.57 1wxl h GLY 39 Ca 0.00 -0.54 0.05 0.00 0.00 0.00 0.00 47.33 46.84 1wxl h GLY 39 CO 0.00 0.47 0.62 -1.33 0.00 0.00 0.00 176.54 176.31 1wxl h GLY 40 N 0.07 1.40 0.85 4.60 0.00 -1.59 0.96 103.07 109.37 1wxl h GLY 40 Ca -0.34 -0.46 0.02 0.00 0.00 0.00 0.00 47.33 46.55 1wxl h GLY 40 CO -0.00 0.37 0.19 1.05 0.00 0.00 0.00 176.54 178.15 1wxl h GLU 41 N 1.16 0.39 0.02 4.80 4.11 -1.69 0.20 114.58 123.57 1wxl h GLU 41 Ca 0.39 -0.02 -0.24 0.00 0.07 0.00 0.00 59.36 59.56 1wxl h GLU 41 Cb 0.09 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1wxl h GLU 41 CO -0.14 0.25 -1.01 0.00 0.07 0.00 0.00 179.01 178.19 1wxl h MET 42 N 0.40 0.43 0.10 1.06 -0.00 -1.50 -3.33 114.93 112.09 1wxl h MET 42 Ca 0.15 -0.50 -0.00 0.00 -0.00 0.00 0.00 59.70 59.35 1wxl h MET 42 Cb 0.05 0.15 0.00 0.00 -0.00 0.00 0.00 31.60 31.80 1wxl h MET 42 CO -0.10 1.16 -0.05 2.35 -0.00 0.00 0.00 176.91 180.27 1wxl h TRP 43 N 0.23 -0.13 -0.56 -0.10 2.91 0.13 -1.63 115.95 116.79 1wxl h TRP 43 Ca -0.10 -0.00 0.16 0.00 1.13 0.00 0.00 58.89 60.08 1wxl h TRP 43 Cb 1.66 0.04 -0.02 0.00 -0.51 0.00 0.00 29.16 30.32 1wxl h TRP 43 CO 0.07 0.09 0.79 0.87 -1.03 0.00 0.00 178.44 179.22 1wxl h LYS 44 N -0.32 0.00 0.00 2.65 6.56 -0.71 0.54 116.57 125.28 1wxl h LYS 44 Ca -0.01 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 1wxl h LYS 44 Cb 0.27 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.93 1wxl h LYS 44 CO 0.02 0.00 0.00 0.39 -2.06 0.00 0.00 179.45 177.80 1wxl n GLU 45 N -3.31 2.31 -2.92 3.15 1.02 -1.13 -5.06 120.64 114.70 1wxl n GLU 45 Ca 0.12 -1.28 -0.32 0.00 -0.02 0.00 0.00 57.16 55.66 1wxl n GLU 45 Cb 0.98 -0.91 -0.05 0.00 -0.02 0.00 0.00 31.44 31.44 1wxl n GLU 45 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 1wxl s LEU 46 N -0.78 3.92 -0.04 -4.62 2.34 0.18 -4.97 118.68 114.71 1wxl s LEU 46 Ca 0.00 1.31 0.15 0.00 0.06 0.00 0.00 54.13 55.65 1wxl s LEU 46 Cb 0.00 -4.16 0.50 0.00 -0.56 0.00 0.00 46.19 41.97 1wxl s LEU 46 CO 0.00 -0.33 1.39 2.29 -1.06 0.00 0.00 176.35 178.64 1wxl n LYS 47 N -0.85 2.59 -0.00 1.48 -0.00 -1.26 -3.51 118.16 116.62 1wxl n LYS 47 Ca 0.04 -2.00 0.10 0.00 -0.00 0.00 0.00 58.31 56.45 1wxl n LYS 47 Cb 0.54 -1.56 -0.12 0.00 -0.00 0.00 0.00 35.03 33.89 1wxl n LYS 47 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1wxl n ASP 48 N 0.92 0.91 0.22 -5.58 -0.08 -1.26 -4.04 116.55 107.64 1wxl n ASP 48 Ca 0.18 -0.91 0.13 0.00 -1.51 0.00 0.00 54.79 52.69 1wxl n ASP 48 Cb 0.56 1.08 0.33 0.00 2.34 0.00 0.00 41.12 45.43 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 0.07 -0.67 3.11 -1.86 0.77 116.57 118.00 1wxl h LYS 49 Ca 0.00 0.00 -0.25 0.00 -2.81 0.00 0.00 60.65 57.59 1wxl h LYS 49 Cb 0.52 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.74 1wxl h LYS 49 CO 0.00 0.00 -1.13 0.66 -2.81 0.00 0.00 179.45 176.17 1wxl h SER 50 N 0.00 0.25 0.95 4.20 4.64 -1.79 0.38 113.55 122.17 1wxl h SER 50 Ca 0.00 -0.26 -0.11 0.00 -0.47 0.00 0.00 61.79 60.94 1wxl h SER 50 Cb 0.84 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.83 1wxl h SER 50 CO 0.00 1.20 -1.11 0.07 -0.87 0.00 0.00 176.83 176.12 1wxl h LYS 51 N 0.05 0.00 0.04 4.77 5.09 -1.66 -3.34 116.57 121.53 1wxl h LYS 51 Ca -0.08 0.00 -0.34 0.00 0.09 0.00 0.00 60.65 60.32 1wxl h LYS 51 Cb 1.87 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 34.16 1wxl h LYS 51 CO 0.17 0.25 -1.99 0.91 -2.09 0.00 0.00 179.45 176.71 1wxl n TRP 52 N -2.91 0.85 -0.31 0.07 8.01 0.26 -4.11 117.44 119.31 1wxl n TRP 52 Ca -0.05 0.24 0.07 0.00 -1.31 0.00 0.00 57.50 56.45 1wxl n TRP 52 Cb 0.75 -1.13 0.22 0.00 -2.01 0.00 0.00 31.31 29.14 1wxl n TRP 52 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.69 177.61 1wxl h GLU 53 N 0.03 0.70 -0.64 -0.99 4.39 -0.40 0.30 114.58 117.97 1wxl h GLU 53 Ca -0.40 -0.04 0.15 0.00 0.34 0.00 0.00 59.36 59.40 1wxl h GLU 53 Cb 2.04 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 30.50 1wxl h GLU 53 CO 0.06 0.47 0.44 -0.44 -1.16 0.00 0.00 179.01 178.38 1wxl h ASP 54 N 0.72 0.21 -0.62 1.42 5.19 -1.71 0.93 116.42 122.56 1wxl h ASP 54 Ca 0.46 0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.86 1wxl h ASP 54 Cb 0.59 -0.03 -0.03 0.00 0.18 0.00 0.00 39.33 40.04 1wxl h ASP 54 CO -0.32 0.11 0.30 0.00 -3.12 0.00 0.00 179.24 176.21 1wxl h ALA 55 N 1.69 0.80 0.06 3.45 0.00 -0.58 0.36 119.26 125.04 1wxl h ALA 55 Ca 0.31 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1wxl h ALA 55 Cb 0.91 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1wxl h ALA 55 CO -0.06 0.36 -0.03 0.00 0.00 0.00 0.00 179.25 179.52 1wxl h ALA 56 N 1.13 -0.08 0.00 0.00 0.00 0.86 0.93 119.26 122.11 1wxl h ALA 56 Ca 0.21 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1wxl h ALA 56 Cb 0.11 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1wxl h ALA 56 CO -0.03 -0.35 -0.38 0.00 0.00 0.00 0.00 179.25 178.49 1wxl h ALA 57 N 0.44 1.13 0.11 0.00 0.00 -0.50 -0.49 119.26 119.95 1wxl h ALA 57 Ca -0.01 -0.34 -0.30 0.00 0.00 0.00 0.00 54.91 54.26 1wxl h ALA 57 Cb 0.41 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1wxl h ALA 57 CO 0.01 0.47 -1.52 1.57 0.00 0.00 0.00 179.25 179.79 1wxl h LYS 58 N 0.00 0.24 -0.03 0.00 2.10 -0.25 -3.28 116.57 115.35 1wxl h LYS 58 Ca -0.00 -0.41 -0.16 0.00 -2.00 0.00 0.00 60.65 58.08 1wxl h LYS 58 Cb 0.79 0.15 -0.01 0.00 -0.90 0.00 0.00 32.23 32.26 1wxl h LYS 58 CO 0.05 1.10 -0.71 -0.44 -2.00 0.00 0.00 179.45 177.45 1wxl h ASP 59 N 0.07 0.18 -0.29 7.07 5.19 0.11 0.25 116.42 129.00 1wxl h ASP 59 Ca -0.24 -0.12 -0.02 0.00 -0.62 0.00 0.00 57.03 56.04 1wxl h ASP 59 Cb 2.01 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 41.45 1wxl h ASP 59 CO 0.16 0.83 0.14 0.50 -3.12 0.00 0.00 179.24 177.75 1wxl h LYS 60 N 0.10 0.46 0.05 3.56 3.11 -1.19 0.44 116.57 123.10 1wxl h LYS 60 Ca -0.02 -0.05 -0.21 0.00 -2.81 0.00 0.00 60.65 57.56 1wxl h LYS 60 Cb 1.26 -0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 32.38 1wxl h LYS 60 CO 0.10 0.38 -1.11 0.37 -2.81 0.00 0.00 179.45 176.39 1wxl h GLN 61 N 0.46 0.10 0.00 1.90 5.75 -1.56 -2.79 115.11 118.97 1wxl h GLN 61 Ca 0.12 -0.17 -0.02 0.00 -0.15 0.00 0.00 58.65 58.43 1wxl h GLN 61 Cb 0.09 0.06 -0.00 0.00 1.07 0.00 0.00 27.48 28.70 1wxl h GLN 61 CO -0.01 1.08 -0.09 -0.09 -2.65 0.00 0.00 178.83 177.07 1wxl h ARG 62 N -0.70 0.00 0.00 1.69 2.43 -0.39 -0.99 114.38 116.43 1wxl h ARG 62 Ca -0.27 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.69 1wxl h ARG 62 Cb 1.44 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.96 1wxl h ARG 62 CO -0.06 0.09 -1.22 0.66 -1.51 0.00 0.00 179.97 177.93 1wxl n TYR 63 N -3.21 0.97 0.20 2.20 4.02 0.15 -3.26 117.16 118.24 1wxl n TYR 63 Ca 0.01 0.42 0.11 0.00 -0.01 0.00 0.00 57.90 58.42 1wxl n TYR 63 Cb 0.37 -1.06 0.55 0.00 -0.02 0.00 0.00 39.34 39.18 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 -4.45 0.72 0.48 -0.72 1.44 -1.05 0.32 115.22 111.96 1wxl n HIS 64 Ca -0.30 0.35 0.12 0.00 -2.01 0.00 0.00 57.72 55.89 1wxl n HIS 64 Cb 0.64 -1.07 0.23 0.00 0.12 0.00 0.00 29.99 29.91 1wxl n HIS 64 CO 0.00 0.00 0.00 -0.44 -2.81 0.00 0.00 176.34 173.09 1wxl h ASP 65 N 0.00 0.00 0.00 4.39 5.19 -1.24 -3.26 116.42 121.51 1wxl h ASP 65 Ca 0.00 -0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 1wxl h ASP 65 Cb 0.07 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.58 1wxl h ASP 65 CO 0.00 0.04 -0.65 -1.84 -3.12 0.00 0.00 179.24 173.67 1wxl n GLU 66 N -2.37 0.00 -0.24 3.56 0.28 0.12 -4.76 120.64 117.23 1wxl n GLU 66 Ca 0.04 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 57.06 1wxl n GLU 66 Cb 0.46 -0.40 0.12 0.00 1.43 0.00 0.00 31.44 33.05 1wxl n GLU 66 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 177.13 177.49 1wxl h MET 67 N 0.00 0.06 0.00 3.44 2.86 0.50 1.89 114.93 123.67 1wxl h MET 67 Ca 0.00 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1wxl h MET 67 Cb 0.65 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.30 1wxl h MET 67 CO 0.00 0.04 0.10 0.54 1.06 0.00 0.00 176.91 178.65 1wxl n ARG 68 N -5.39 0.00 0.05 1.72 1.74 -1.22 -2.91 116.66 110.65 1wxl n ARG 68 Ca 0.11 0.29 0.00 0.00 -0.77 0.00 0.00 57.85 57.48 1wxl n ARG 68 Cb 0.41 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 1wxl n ARG 68 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1wxl n ASN 69 N -1.26 1.03 0.00 0.55 3.02 0.56 -4.92 115.26 114.24 1wxl n ASN 69 Ca 0.00 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 1wxl n ASN 69 Cb 0.10 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 1wxl n ASN 69 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wxl n TYR 70 N -3.47 0.00 -3.88 3.10 9.36 0.34 -4.83 117.16 117.77 1wxl n TYR 70 Ca 0.00 0.00 -0.39 0.00 3.32 0.00 0.00 57.90 60.83 1wxl n TYR 70 Cb 0.03 0.00 0.03 0.00 -0.63 0.00 0.00 39.34 38.77 1wxl n TYR 70 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1wxl n LYS 71 N -0.85 -0.72 0.14 2.98 0.00 -1.21 -4.89 118.16 113.61 1wxl n LYS 71 Ca 0.00 0.28 -0.12 0.00 0.00 0.00 0.00 58.31 58.47 1wxl n LYS 71 Cb 0.00 -3.23 -0.07 0.00 0.00 0.00 0.00 35.03 31.73 1wxl n LYS 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 1wxl h PRO 72 N -2.19 -0.60 0.00 1.64 0.11 -1.88 -3.48 132.00 125.59 1wxl h PRO 72 Ca -0.68 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.47 1wxl h PRO 72 Cb 1.38 0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.63 1wxl h PRO 72 CO 0.49 -0.40 0.00 0.39 -0.21 0.00 0.00 178.00 178.27 1wxl n GLU 73 N -4.64 0.00 0.00 1.05 1.02 0.20 -5.03 120.64 113.24 1wxl n GLU 73 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 1wxl n GLU 73 Cb 0.32 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.74 1wxl n GLU 73 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31