#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wxl s HIS 3 N 0.00 -0.79 0.41 1.43 4.02 -1.26 -5.15 115.29 113.94 1wxl s HIS 3 Ca 0.00 1.73 -0.27 0.00 1.02 0.00 0.00 55.06 57.54 1wxl s HIS 3 Cb 0.00 0.43 -0.10 0.00 -1.02 0.00 0.00 32.58 31.89 1wxl s HIS 3 CO 0.00 -0.39 1.46 0.00 1.02 0.00 0.00 174.74 176.83 1wxl s MET 4 N 0.96 3.93 0.19 1.40 0.00 -1.26 -4.86 119.30 119.65 1wxl s MET 4 Ca -0.04 2.50 -0.12 0.00 0.00 0.00 0.00 55.69 58.03 1wxl s MET 4 Cb -0.05 -2.83 -0.08 0.00 0.00 0.00 0.00 34.83 31.86 1wxl s MET 4 CO -0.10 -0.65 0.10 -2.30 0.00 0.00 0.00 175.02 172.06 1wxl n PRO 5 N 0.18 0.00 -2.52 3.16 -0.02 -1.26 -4.92 135.00 129.62 1wxl n PRO 5 Ca 0.03 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.50 1wxl n PRO 5 Cb 0.40 -0.53 0.06 0.00 -0.02 0.00 0.00 33.50 33.41 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 0.66 1.32 0.00 -0.52 2.85 -1.26 -4.76 118.16 116.45 1wxl n LYS 6 Ca 0.07 -2.63 0.00 0.00 -1.05 0.00 0.00 58.31 54.70 1wxl n LYS 6 Cb 0.19 -0.80 0.00 0.00 -0.65 0.00 0.00 35.03 33.77 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 -0.64 0.87 -0.93 -1.58 1.74 -1.26 -5.00 116.66 109.86 1wxl n ARG 7 Ca -0.01 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.18 1wxl n ARG 7 Cb 0.86 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 32.24 1wxl n ARG 7 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wxl n ALA 8 N -3.00 -2.44 -2.74 7.54 0.00 -1.26 -4.82 120.51 113.79 1wxl n ALA 8 Ca 0.00 0.59 -0.33 0.00 0.00 0.00 0.00 53.44 53.70 1wxl n ALA 8 Cb 0.00 -1.01 -0.13 0.00 0.00 0.00 0.00 19.45 18.31 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 -3.73 3.33 0.60 0.00 2.01 -1.26 -4.95 115.64 111.63 1wxl s THR 9 Ca 0.00 -0.60 -0.17 0.00 0.31 0.00 0.00 61.69 61.23 1wxl s THR 9 Cb 0.00 -2.37 -0.03 0.00 0.01 0.00 0.00 72.50 70.11 1wxl s THR 9 CO 0.00 0.56 1.10 0.42 -0.69 0.00 0.00 174.62 176.02 1wxl s THR 10 N -0.30 3.33 0.27 -0.82 -4.23 -1.26 -3.82 115.64 108.80 1wxl s THR 10 Ca 0.03 0.70 -0.02 0.00 -1.18 0.00 0.00 61.69 61.23 1wxl s THR 10 Cb -0.13 -3.23 0.29 0.00 1.34 0.00 0.00 72.50 70.77 1wxl s THR 10 CO 0.03 -0.30 1.65 0.00 -0.54 0.00 0.00 174.62 175.45 1wxl h ALA 11 N 0.58 1.07 -0.34 3.99 0.00 -1.87 0.89 119.26 123.59 1wxl h ALA 11 Ca -0.48 0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1wxl h ALA 11 Cb 1.25 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 1wxl h ALA 11 CO 0.56 -0.43 -0.04 0.35 0.00 0.00 0.00 179.25 179.69 1wxl h PHE 12 N 0.19 0.56 0.13 0.00 3.57 -1.95 -2.71 116.94 116.73 1wxl h PHE 12 Ca 0.49 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.91 1wxl h PHE 12 Cb 0.92 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.50 1wxl h PHE 12 CO -0.31 0.58 -0.06 0.52 -2.23 0.00 0.00 178.31 176.80 1wxl h MET 13 N 0.51 -0.16 -0.23 1.11 2.86 0.13 -1.34 114.93 117.80 1wxl h MET 13 Ca 0.10 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.82 1wxl h MET 13 Cb 0.39 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 1wxl h MET 13 CO 0.02 -0.11 0.48 1.37 1.06 0.00 0.00 176.91 179.73 1wxl h LEU 14 N -0.98 0.00 0.05 1.22 -0.00 0.14 1.21 115.31 116.94 1wxl h LEU 14 Ca -0.02 0.00 -0.35 0.00 -0.00 0.00 0.00 57.88 57.51 1wxl h LEU 14 Cb 0.13 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.75 1wxl h LEU 14 CO 0.03 0.00 -1.99 1.87 -0.00 0.00 0.00 178.44 178.35 1wxl n TRP 15 N -3.22 0.74 0.28 0.17 -0.00 -1.02 -3.35 117.44 111.04 1wxl n TRP 15 Ca 0.03 0.22 0.17 0.00 -0.00 0.00 0.00 57.50 57.93 1wxl n TRP 15 Cb 0.59 -1.09 0.88 0.00 -0.00 0.00 0.00 31.31 31.70 1wxl n TRP 15 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 177.69 178.94 1wxl h LEU 16 N -0.42 0.00 0.22 5.87 5.85 0.19 1.41 115.31 128.43 1wxl h LEU 16 Ca -0.48 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 1wxl h LEU 16 Cb 1.74 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.77 1wxl h LEU 16 CO -0.12 0.00 -0.10 -1.13 -0.34 0.00 0.00 178.44 176.75 1wxl h ASN 17 N 0.00 -0.25 0.85 1.25 -0.73 0.13 2.48 115.58 119.31 1wxl h ASN 17 Ca 0.00 -0.25 -0.12 0.00 1.87 0.00 0.00 56.30 57.80 1wxl h ASN 17 Cb 0.12 0.06 -0.02 0.00 0.27 0.00 0.00 38.32 38.76 1wxl h ASN 17 CO 0.00 0.28 -0.56 0.44 -0.37 0.00 0.00 177.43 177.22 1wxl h ASP 18 N -0.94 0.00 0.00 1.15 3.32 -1.37 -3.23 116.42 115.35 1wxl h ASP 18 Ca -0.03 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.84 1wxl h ASP 18 Cb 0.48 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 1wxl h ASP 18 CO 0.05 0.56 -2.07 0.41 -1.72 0.00 0.00 179.24 176.46 1wxl n THR 19 N -3.58 0.67 -0.17 0.35 -1.04 0.48 -4.06 114.28 106.93 1wxl n THR 19 Ca -0.00 -0.61 0.08 0.00 -2.04 0.00 0.00 64.05 61.47 1wxl n THR 19 Cb 0.62 -0.26 0.38 0.00 -1.82 0.00 0.00 70.33 69.26 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 0.66 -0.83 -2.82 0.11 0.42 1.78 114.38 113.71 1wxl h ARG 20 Ca -0.26 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.78 1wxl h ARG 20 Cb 1.55 -0.15 -0.04 0.00 1.11 0.00 0.00 29.97 32.44 1wxl h ARG 20 CO 0.01 0.44 0.53 1.05 0.10 0.00 0.00 179.97 182.10 1wxl h GLU 21 N 0.68 1.10 0.00 0.08 4.11 -1.68 0.39 114.58 119.26 1wxl h GLU 21 Ca 0.31 -0.08 0.00 0.00 0.07 0.00 0.00 59.36 59.66 1wxl h GLU 21 Cb 0.33 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1wxl h GLU 21 CO -0.10 0.74 0.00 1.03 0.07 0.00 0.00 179.01 180.75 1wxl h SER 22 N 1.13 0.00 0.12 3.06 0.87 0.22 -2.93 113.55 116.02 1wxl h SER 22 Ca 0.30 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.64 1wxl h SER 22 Cb -0.10 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 61.87 1wxl h SER 22 CO -0.06 0.00 -1.04 0.40 -0.53 0.00 0.00 176.83 175.60 1wxl h ILE 23 N 0.00 1.32 -0.08 2.23 2.04 0.23 -2.61 117.51 120.63 1wxl h ILE 23 Ca 0.00 -2.47 -0.06 0.00 1.00 0.00 0.00 64.86 63.33 1wxl h ILE 23 Cb 0.38 2.99 -0.01 0.00 -0.74 0.00 0.00 36.82 39.44 1wxl h ILE 23 CO 0.00 0.70 -0.23 0.50 0.00 0.00 0.00 178.15 179.12 1wxl h LYS 24 N -0.38 0.14 -0.34 2.37 1.63 -1.26 -0.11 116.57 118.62 1wxl h LYS 24 Ca -0.21 -0.04 -0.17 0.00 -0.85 0.00 0.00 60.65 59.38 1wxl h LYS 24 Cb 1.66 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 33.27 1wxl h LYS 24 CO 0.10 0.37 -0.46 0.00 -3.45 0.00 0.00 179.45 176.01 1wxl h ARG 25 N 0.13 0.90 0.00 1.90 3.08 -1.62 0.18 114.38 118.95 1wxl h ARG 25 Ca 0.02 -0.51 0.00 0.00 0.07 0.00 0.00 59.98 59.56 1wxl h ARG 25 Cb 0.48 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1wxl h ARG 25 CO 0.03 1.16 0.00 0.39 -1.07 0.00 0.00 179.97 180.48 1wxl n GLU 26 N -4.03 0.16 -2.87 0.04 -0.58 -0.62 -3.81 120.64 108.93 1wxl n GLU 26 Ca -0.03 0.51 -0.08 0.00 -0.42 0.00 0.00 57.16 57.14 1wxl n GLU 26 Cb 0.58 -1.89 -0.01 0.00 -0.57 0.00 0.00 31.44 29.55 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 -2.21 -2.92 -2.22 1.62 3.02 -0.15 -5.04 115.26 107.36 1wxl n ASN 27 Ca 0.01 -2.83 -0.06 0.00 -0.03 0.00 0.00 54.58 51.66 1wxl n ASN 27 Cb 0.14 1.35 -0.09 0.00 -0.61 0.00 0.00 39.78 40.57 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 2.88 1.02 -0.07 3.52 -0.04 0.54 -2.48 135.00 140.37 1wxl n PRO 28 Ca 0.20 -0.50 0.00 0.00 -0.04 0.00 0.00 63.50 63.16 1wxl n PRO 28 Cb 0.55 -1.74 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 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 2.70 0.46 0.00 0.55 0.00 -1.26 -5.10 105.19 102.54 1wxl n GLY 29 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.81 -0.61 -5.35 -1.04 -5.12 119.36 103.44 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 0.23 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 38.03 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 0.80 0.51 0.29 6.28 -2.85 -1.26 -5.00 119.74 118.52 1wxl s LYS 31 Ca 0.00 -0.15 0.21 0.00 -1.00 0.00 0.00 55.97 55.03 1wxl s LYS 31 Cb 0.00 0.23 1.00 0.00 -2.06 0.00 0.00 37.83 37.00 1wxl s LYS 31 CO 0.00 -0.12 1.07 1.55 0.10 0.00 0.00 175.35 177.95 1wxl n VAL 32 N 1.72 -0.19 0.13 1.79 3.14 -1.26 0.24 118.33 123.89 1wxl n VAL 32 Ca -0.20 1.26 0.08 0.00 -2.96 0.00 0.00 64.34 62.52 1wxl n VAL 32 Cb 0.56 -2.07 0.03 0.00 -1.06 0.00 0.00 33.84 31.31 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 0.23 -0.07 1.55 1.35 -2.00 -3.29 112.91 110.68 1wxl h THR 33 Ca 0.60 -1.38 -0.17 0.00 -0.55 0.00 0.00 66.41 64.91 1wxl h THR 33 Cb 1.87 1.88 -0.01 0.00 -1.73 0.00 0.00 68.15 70.16 1wxl h THR 33 CO -0.36 0.13 -0.69 -0.08 -0.25 0.00 0.00 175.52 174.28 1wxl h GLU 34 N 0.00 0.31 -0.52 4.72 4.81 0.27 -2.69 114.58 121.48 1wxl h GLU 34 Ca -0.03 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 58.94 1wxl h GLU 34 Cb 1.17 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 1wxl h GLU 34 CO 0.02 0.88 0.26 0.82 -0.73 0.00 0.00 179.01 180.26 1wxl h ILE 35 N 0.22 1.19 0.00 2.32 2.04 -1.54 0.31 117.51 122.05 1wxl h ILE 35 Ca -0.02 -0.53 -0.05 0.00 1.00 0.00 0.00 64.86 65.26 1wxl h ILE 35 Cb 1.24 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1wxl h ILE 35 CO 0.11 0.21 -0.22 0.00 0.00 0.00 0.00 178.15 178.25 1wxl h ALA 36 N 1.10 1.20 0.00 1.87 0.00 -1.61 -1.61 119.26 120.21 1wxl h ALA 36 Ca 0.18 -0.20 -0.25 0.00 0.00 0.00 0.00 54.91 54.64 1wxl h ALA 36 Cb 0.10 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1wxl h ALA 36 CO -0.02 0.28 -1.44 1.17 0.00 0.00 0.00 179.25 179.23 1wxl n LYS 37 N -3.65 0.56 0.00 0.00 4.81 -0.90 -3.54 118.16 115.44 1wxl n LYS 37 Ca -0.01 0.49 0.07 0.00 -0.87 0.00 0.00 58.31 57.99 1wxl n LYS 37 Cb 0.35 -1.68 0.35 0.00 0.02 0.00 0.00 35.03 34.07 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 -4.42 0.11 -0.03 1.64 -0.00 0.10 -2.61 118.16 112.96 1wxl n LYS 38 Ca -0.34 0.19 -0.22 0.00 -0.00 0.00 0.00 58.31 57.95 1wxl n LYS 38 Cb 0.67 -1.50 -0.13 0.00 -0.00 0.00 0.00 35.03 34.07 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 2.53 0.20 1.32 2.58 0.00 -1.45 -3.33 103.07 104.91 1wxl h GLY 39 Ca 0.00 -0.51 0.04 0.00 0.00 0.00 0.00 47.33 46.86 1wxl h GLY 39 CO 0.00 0.45 0.37 -1.33 0.00 0.00 0.00 176.54 176.02 1wxl h GLY 40 N 0.29 0.71 0.96 4.60 0.00 -1.55 0.86 103.07 108.94 1wxl h GLY 40 Ca -0.39 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 46.68 1wxl h GLY 40 CO -0.02 0.21 0.20 1.05 0.00 0.00 0.00 176.54 177.98 1wxl h GLU 41 N 0.62 0.58 0.03 4.80 4.11 -1.68 0.24 114.58 123.27 1wxl h GLU 41 Ca 0.23 -0.08 -0.23 0.00 0.07 0.00 0.00 59.36 59.35 1wxl h GLU 41 Cb 0.13 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1wxl h GLU 41 CO -0.06 0.50 -0.99 0.00 0.07 0.00 0.00 179.01 178.53 1wxl h MET 42 N 0.52 0.33 0.29 1.06 -0.00 -1.45 -3.35 114.93 112.34 1wxl h MET 42 Ca 0.14 -0.39 -0.01 0.00 -0.00 0.00 0.00 59.70 59.44 1wxl h MET 42 Cb 0.10 0.12 0.00 0.00 -0.00 0.00 0.00 31.60 31.83 1wxl h MET 42 CO -0.02 1.09 -0.14 2.35 -0.00 0.00 0.00 176.91 180.19 1wxl h TRP 43 N 0.17 -0.37 -1.60 -0.10 2.91 0.94 -2.21 115.95 115.69 1wxl h TRP 43 Ca -0.08 -0.01 0.46 0.00 1.13 0.00 0.00 58.89 60.39 1wxl h TRP 43 Cb 1.64 0.12 -0.06 0.00 -0.51 0.00 0.00 29.16 30.35 1wxl h TRP 43 CO 0.05 -0.03 1.26 1.63 -1.03 0.00 0.00 178.44 180.32 1wxl n LYS 44 N -5.12 0.00 -0.08 2.65 4.76 0.83 -0.14 118.16 121.06 1wxl n LYS 44 Ca -0.09 0.97 0.02 0.00 -2.87 0.00 0.00 58.31 56.34 1wxl n LYS 44 Cb 0.26 -2.29 0.02 0.00 -1.84 0.00 0.00 35.03 31.18 1wxl n LYS 44 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1wxl n GLU 45 N -3.58 1.35 -2.18 1.97 -0.58 -1.22 -5.08 120.64 111.31 1wxl n GLU 45 Ca 0.36 -1.29 -0.32 0.00 -0.42 0.00 0.00 57.16 55.49 1wxl n GLU 45 Cb 1.74 -0.85 -0.01 0.00 -0.57 0.00 0.00 31.44 31.75 1wxl n GLU 45 CO 0.00 0.00 0.00 -0.48 -0.48 0.00 0.00 177.13 176.17 1wxl s LEU 46 N -0.85 3.53 0.00 -4.62 2.34 0.80 -4.96 118.68 114.92 1wxl s LEU 46 Ca 0.05 1.67 0.15 0.00 0.06 0.00 0.00 54.13 56.06 1wxl s LEU 46 Cb 0.05 -4.52 0.45 0.00 -0.56 0.00 0.00 46.19 41.61 1wxl s LEU 46 CO 0.00 -0.89 1.37 1.17 -1.06 0.00 0.00 176.35 176.95 1wxl n LYS 47 N -1.91 2.04 -0.00 1.48 3.00 -1.26 -3.55 118.16 117.96 1wxl n LYS 47 Ca 0.07 -1.61 0.10 0.00 -0.00 0.00 0.00 58.31 56.88 1wxl n LYS 47 Cb 0.53 -1.37 -0.11 0.00 0.00 0.00 0.00 35.03 34.08 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 0.81 0.68 0.24 3.14 -0.08 -1.26 -4.05 116.55 116.02 1wxl n ASP 48 Ca 0.16 -0.64 0.14 0.00 -1.51 0.00 0.00 54.79 52.94 1wxl n ASP 48 Cb 0.39 1.24 0.39 0.00 2.34 0.00 0.00 41.12 45.48 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 0.13 -0.67 3.11 -1.87 0.96 116.57 118.23 1wxl h LYS 49 Ca 0.00 0.00 -0.28 0.00 -2.81 0.00 0.00 60.65 57.56 1wxl h LYS 49 Cb 0.66 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.90 1wxl h LYS 49 CO 0.00 0.00 -1.25 0.77 -2.81 0.00 0.00 179.45 176.16 1wxl h SER 50 N 0.00 0.48 1.28 4.20 0.02 -1.78 0.37 113.55 118.11 1wxl h SER 50 Ca 0.00 -0.50 -0.06 0.00 -0.84 0.00 0.00 61.79 60.39 1wxl h SER 50 Cb 0.78 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 1wxl h SER 50 CO 0.00 1.39 -0.74 0.50 -1.14 0.00 0.00 176.83 176.83 1wxl h LYS 51 N 0.09 0.00 0.00 3.45 3.11 -1.64 -3.36 116.57 118.23 1wxl h LYS 51 Ca -0.14 0.00 -0.35 0.00 -2.81 0.00 0.00 60.65 57.34 1wxl h LYS 51 Cb 1.97 0.00 -0.06 0.00 -1.00 0.00 0.00 32.23 33.14 1wxl h LYS 51 CO 0.21 0.16 -2.23 0.91 -2.81 0.00 0.00 179.45 175.70 1wxl n TRP 52 N -2.94 0.27 -0.33 1.91 8.01 0.33 -4.28 117.44 120.41 1wxl n TRP 52 Ca -0.01 0.09 0.07 0.00 -1.31 0.00 0.00 57.50 56.34 1wxl n TRP 52 Cb 0.65 -1.05 0.23 0.00 -2.01 0.00 0.00 31.31 29.13 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 0.00 0.82 -0.96 -0.99 4.39 -0.41 0.17 114.58 117.60 1wxl h GLU 53 Ca -0.49 -0.05 0.16 0.00 0.34 0.00 0.00 59.36 59.33 1wxl h GLU 53 Cb 2.16 -0.18 -0.09 0.00 -0.10 0.00 0.00 28.75 30.54 1wxl h GLU 53 CO 0.03 0.54 0.61 -0.44 -1.16 0.00 0.00 179.01 178.59 1wxl h ASP 54 N 0.84 0.72 -0.75 1.42 3.32 -1.74 0.93 116.42 121.15 1wxl h ASP 54 Ca 0.47 0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.61 1wxl h ASP 54 Cb 0.54 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.97 1wxl h ASP 54 CO -0.29 0.32 0.49 0.00 -1.72 0.00 0.00 179.24 178.03 1wxl h ALA 55 N 1.60 0.97 0.23 3.45 0.00 -0.87 0.31 119.26 124.95 1wxl h ALA 55 Ca 0.51 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 1wxl h ALA 55 Cb 0.81 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1wxl h ALA 55 CO -0.28 0.32 -0.11 0.00 0.00 0.00 0.00 179.25 179.18 1wxl h ALA 56 N 1.30 -0.30 -0.61 0.00 0.00 0.93 0.13 119.26 120.70 1wxl h ALA 56 Ca 0.29 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1wxl h ALA 56 Cb -0.05 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1wxl h ALA 56 CO -0.09 -0.48 -0.01 0.00 0.00 0.00 0.00 179.25 178.68 1wxl h ALA 57 N -0.04 0.82 -0.15 0.00 0.00 -0.53 0.27 119.26 119.64 1wxl h ALA 57 Ca -0.03 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 1wxl h ALA 57 Cb 0.48 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1wxl h ALA 57 CO 0.05 0.67 -0.23 1.57 0.00 0.00 0.00 179.25 181.30 1wxl h LYS 58 N 0.97 0.26 0.06 0.00 2.10 -0.41 -1.75 116.57 117.80 1wxl h LYS 58 Ca 0.17 -0.08 -0.27 0.00 -2.00 0.00 0.00 60.65 58.47 1wxl h LYS 58 Cb 0.57 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.85 1wxl h LYS 58 CO 0.03 0.48 -1.39 0.22 -2.00 0.00 0.00 179.45 176.79 1wxl h ASP 59 N 0.23 0.20 -0.57 7.07 1.82 -0.36 0.08 116.42 124.89 1wxl h ASP 59 Ca 0.04 -0.27 -0.06 0.00 -0.39 0.00 0.00 57.03 56.35 1wxl h ASP 59 Cb 0.55 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 40.47 1wxl h ASP 59 CO 0.04 1.22 0.12 0.50 -1.61 0.00 0.00 179.24 179.51 1wxl h LYS 60 N 0.03 0.93 0.04 0.28 3.11 -0.28 0.30 116.57 120.99 1wxl h LYS 60 Ca -0.18 -0.23 -0.24 0.00 -2.81 0.00 0.00 60.65 57.18 1wxl h LYS 60 Cb 1.94 -0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 33.03 1wxl h LYS 60 CO 0.14 0.87 -1.20 0.37 -2.81 0.00 0.00 179.45 176.82 1wxl h GLN 61 N 0.83 0.09 0.00 1.90 5.75 -1.42 -2.74 115.11 119.52 1wxl h GLN 61 Ca 0.18 -0.15 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 1wxl h GLN 61 Cb 0.38 0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.98 1wxl h GLN 61 CO 0.01 1.00 -0.41 -0.09 -2.65 0.00 0.00 178.83 176.68 1wxl h ARG 62 N 0.02 0.00 0.10 1.69 2.43 -0.80 -2.03 114.38 115.79 1wxl h ARG 62 Ca -0.10 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.79 1wxl h ARG 62 Cb 1.87 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.41 1wxl h ARG 62 CO 0.14 0.00 -1.51 0.10 -1.51 0.00 0.00 179.97 177.19 1wxl h TYR 63 N 0.00 0.37 0.00 2.20 -0.00 -0.47 -3.15 116.97 115.92 1wxl h TYR 63 Ca 0.00 -0.27 -0.06 0.00 0.00 0.00 0.00 58.73 58.40 1wxl h TYR 63 Cb 0.88 -0.01 -0.01 0.00 0.00 0.00 0.00 36.73 37.59 1wxl h TYR 63 CO 0.00 1.59 -0.27 1.12 -0.00 0.00 0.00 178.16 180.60 1wxl h HIS 64 N -0.35 0.00 0.00 0.10 2.07 -1.60 2.38 115.15 117.75 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 1.74 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.72 1wxl h HIS 64 CO 0.11 0.27 0.00 -3.47 -3.07 0.00 0.00 177.93 171.77 1wxl n ASP 65 N -3.38 0.21 0.00 3.10 -0.08 -0.76 -3.36 116.55 112.28 1wxl n ASP 65 Ca 0.00 0.52 0.00 0.00 -1.51 0.00 0.00 54.79 53.80 1wxl n ASP 65 Cb 0.48 -0.58 0.00 0.00 2.34 0.00 0.00 41.12 43.36 1wxl n ASP 65 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1wxl n GLU 66 N -1.70 0.00 -0.10 -0.67 0.28 -0.99 -4.63 120.64 112.83 1wxl n GLU 66 Ca 0.06 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.95 1wxl n GLU 66 Cb 0.36 -0.32 -0.04 0.00 1.43 0.00 0.00 31.44 32.87 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 0.57 -0.03 3.44 2.86 0.38 1.06 114.93 123.20 1wxl h MET 67 Ca 0.00 -0.24 -0.02 0.00 -2.06 0.00 0.00 59.70 57.38 1wxl h MET 67 Cb 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.64 1wxl h MET 67 CO 0.00 0.79 -0.06 0.07 1.06 0.00 0.00 176.91 178.77 1wxl h ARG 68 N 0.32 0.10 -1.04 1.72 0.11 -1.09 -3.28 114.38 111.22 1wxl h ARG 68 Ca 0.07 -0.06 -0.61 0.00 0.10 0.00 0.00 59.98 59.48 1wxl h ARG 68 Cb 0.60 0.01 -0.28 0.00 1.11 0.00 0.00 29.97 31.41 1wxl h ARG 68 CO 0.04 0.65 0.78 0.27 0.10 0.00 0.00 179.97 181.81 1wxl n ASN 69 N -4.72 6.56 0.00 0.08 0.23 -1.21 -4.53 115.26 111.67 1wxl n ASN 69 Ca -0.08 -3.67 0.12 0.00 -0.53 0.00 0.00 54.58 50.41 1wxl n ASN 69 Cb 0.33 -0.94 0.61 0.00 -2.08 0.00 0.00 39.78 37.69 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 -0.87 0.00 0.01 -2.53 0.18 0.36 -4.47 117.16 109.85 1wxl n TYR 70 Ca 0.59 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.37 1wxl n TYR 70 Cb 0.91 -0.28 0.00 0.00 -0.38 0.00 0.00 39.34 39.59 1wxl n TYR 70 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1wxl n LYS 71 N -1.28 0.00 -2.07 -3.48 4.01 -1.26 -5.07 118.16 109.01 1wxl n LYS 71 Ca 0.11 0.00 -0.33 0.00 -0.51 0.00 0.00 58.31 57.58 1wxl n LYS 71 Cb 0.19 -0.02 0.01 0.00 -0.51 0.00 0.00 35.03 34.70 1wxl n LYS 71 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1wxl s PRO 72 N -1.11 3.24 0.25 1.97 0.04 -1.26 -4.98 135.00 133.14 1wxl s PRO 72 Ca 0.00 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.40 1wxl s PRO 72 Cb 0.00 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1wxl s PRO 72 CO 0.00 -0.89 0.00 0.39 0.04 0.00 0.00 177.00 176.54 1wxl n GLU 73 N -1.86 0.00 -0.52 4.56 1.02 -1.26 -4.68 120.64 117.90 1wxl n GLU 73 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 1wxl n GLU 73 Cb 0.52 -0.12 0.00 0.00 -0.02 0.00 0.00 31.44 31.82 1wxl n GLU 73 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31