#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 1.41 -0.13 0.66 0.00 -1.26 -4.69 115.29 111.29 1wxl s HIS 3 Ca 0.00 1.72 -0.18 0.00 -3.00 0.00 0.00 55.06 53.61 1wxl s HIS 3 Cb 0.00 -3.55 -0.16 0.00 -4.00 0.00 0.00 32.58 24.88 1wxl s HIS 3 CO 0.00 -1.02 0.44 1.98 -1.00 0.00 0.00 174.74 175.14 1wxl h MET 4 N 11.35 0.00 -5.10 -0.38 1.85 -1.98 -3.45 114.93 117.22 1wxl h MET 4 Ca 0.06 0.00 -0.44 0.00 -0.61 0.00 0.00 59.70 58.72 1wxl h MET 4 Cb 0.98 0.00 -0.08 0.00 0.43 0.00 0.00 31.60 32.94 1wxl h MET 4 CO 1.07 0.61 1.71 -2.30 -0.40 0.00 0.00 176.91 177.61 1wxl n PRO 5 N -4.66 0.17 0.00 0.39 -0.02 -1.26 -4.45 135.00 125.17 1wxl n PRO 5 Ca -0.07 -0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 1wxl n PRO 5 Cb 0.31 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1wxl n PRO 5 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1wxl n LYS 6 N 7.91 0.00 -0.63 -0.52 5.02 -1.26 -4.59 118.16 124.08 1wxl n LYS 6 Ca 0.61 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.82 1wxl n LYS 6 Cb 0.15 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.18 1wxl n LYS 6 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wxl n ARG 7 N 0.00 1.39 -1.30 1.97 1.74 -1.26 -4.69 116.66 114.51 1wxl n ARG 7 Ca 0.00 -0.79 0.16 0.00 -0.77 0.00 0.00 57.85 56.45 1wxl n ARG 7 Cb 0.00 -1.31 -0.08 0.00 -1.02 0.00 0.00 32.46 30.05 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 0.76 -3.40 -2.38 7.54 0.00 -1.26 -4.83 120.51 116.94 1wxl n ALA 8 Ca 0.15 0.80 -0.31 0.00 0.00 0.00 0.00 53.44 54.08 1wxl n ALA 8 Cb 0.58 -1.40 -0.14 0.00 0.00 0.00 0.00 19.45 18.49 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 -3.95 2.44 0.60 0.00 2.01 -1.26 -4.96 115.64 110.52 1wxl s THR 9 Ca 0.00 -1.10 -0.18 0.00 0.31 0.00 0.00 61.69 60.73 1wxl s THR 9 Cb 0.00 -1.93 -0.03 0.00 0.01 0.00 0.00 72.50 70.55 1wxl s THR 9 CO 0.00 0.49 1.13 0.42 -0.69 0.00 0.00 174.62 175.97 1wxl s THR 10 N -0.74 3.09 0.29 -0.82 -4.23 -1.26 -3.82 115.64 108.15 1wxl s THR 10 Ca 0.12 0.61 0.02 0.00 -1.18 0.00 0.00 61.69 61.26 1wxl s THR 10 Cb -0.10 -3.18 0.32 0.00 1.34 0.00 0.00 72.50 70.87 1wxl s THR 10 CO 0.01 -0.22 1.64 0.00 -0.54 0.00 0.00 174.62 175.52 1wxl h ALA 11 N 0.68 1.28 -0.07 3.99 0.00 -1.85 1.21 119.26 124.50 1wxl h ALA 11 Ca -0.49 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 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 1wxl h ALA 11 CO 0.55 -0.49 -0.46 0.35 0.00 0.00 0.00 179.25 179.20 1wxl h PHE 12 N 0.18 0.21 0.03 0.00 3.04 -1.93 -2.52 116.94 115.96 1wxl h PHE 12 Ca 0.56 -0.06 -0.00 0.00 3.98 0.00 0.00 57.97 62.45 1wxl h PHE 12 Cb 1.14 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 39.61 1wxl h PHE 12 CO -0.28 0.61 -0.02 0.52 -2.02 0.00 0.00 178.31 177.12 1wxl h MET 13 N 0.14 -0.04 -0.90 1.11 2.86 0.77 -0.63 114.93 118.23 1wxl h MET 13 Ca 0.01 0.00 0.24 0.00 -2.06 0.00 0.00 59.70 57.90 1wxl h MET 13 Cb 0.87 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.50 1wxl h MET 13 CO 0.07 -0.03 0.63 1.37 1.06 0.00 0.00 176.91 180.01 1wxl h LEU 14 N -0.73 0.14 0.12 1.22 -0.00 0.29 0.97 115.31 117.33 1wxl h LEU 14 Ca -0.00 0.02 -0.22 0.00 -0.00 0.00 0.00 57.88 57.67 1wxl h LEU 14 Cb 0.03 -0.01 0.01 0.00 -0.00 0.00 0.00 40.66 40.69 1wxl h LEU 14 CO 0.01 0.05 -1.07 -0.25 -0.00 0.00 0.00 178.44 177.18 1wxl h TRP 15 N 0.14 0.45 0.00 0.17 7.01 -1.57 -3.07 115.95 119.09 1wxl h TRP 15 Ca 0.45 -0.33 0.00 0.00 2.11 0.00 0.00 58.89 61.12 1wxl h TRP 15 Cb 1.55 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 28.59 1wxl h TRP 15 CO -0.00 1.41 0.00 1.25 -2.79 0.00 0.00 178.44 178.31 1wxl h LEU 16 N -0.39 0.00 0.08 0.65 5.85 0.60 0.97 115.31 123.07 1wxl h LEU 16 Ca -0.22 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 1wxl h LEU 16 Cb 1.66 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.69 1wxl h LEU 16 CO 0.09 0.00 -0.04 -1.13 -0.34 0.00 0.00 178.44 177.02 1wxl h ASN 17 N 0.00 -0.09 1.11 1.25 -0.73 0.91 5.09 115.58 123.12 1wxl h ASN 17 Ca 0.00 -0.50 -0.07 0.00 1.87 0.00 0.00 56.30 57.60 1wxl h ASN 17 Cb 0.09 0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.70 1wxl h ASN 17 CO 0.00 0.51 -0.35 0.44 -0.37 0.00 0.00 177.43 177.67 1wxl h ASP 18 N -0.77 0.00 0.00 1.15 3.32 -1.22 -3.15 116.42 115.75 1wxl h ASP 18 Ca -0.01 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 1wxl h ASP 18 Cb 0.59 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 1wxl h ASP 18 CO 0.02 0.35 -1.97 0.41 -1.72 0.00 0.00 179.24 176.33 1wxl n THR 19 N -3.37 0.35 -0.27 0.35 -1.04 0.33 -4.03 114.28 106.59 1wxl n THR 19 Ca 0.01 -0.52 0.11 0.00 -2.04 0.00 0.00 64.05 61.60 1wxl n THR 19 Cb 0.55 -0.11 0.35 0.00 -1.82 0.00 0.00 70.33 69.31 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 0.72 -0.66 -2.82 2.43 1.03 1.93 114.38 117.01 1wxl h ARG 20 Ca -0.14 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 58.92 1wxl h ARG 20 Cb 1.22 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.58 1wxl h ARG 20 CO 0.01 0.48 0.14 1.49 -1.51 0.00 0.00 179.97 180.57 1wxl h GLU 21 N 0.75 1.07 0.00 0.20 4.57 -1.71 -2.06 114.58 117.40 1wxl h GLU 21 Ca 0.44 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 1wxl h GLU 21 Cb 0.64 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1wxl h GLU 21 CO -0.20 0.96 0.00 0.77 -1.18 0.00 0.00 179.01 179.36 1wxl h SER 22 N 1.01 0.00 0.09 1.04 0.02 0.25 -2.91 113.55 113.06 1wxl h SER 22 Ca 0.21 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.91 1wxl h SER 22 Cb 0.39 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1wxl h SER 22 CO 0.01 0.00 -1.30 0.40 -1.14 0.00 0.00 176.83 174.80 1wxl h ILE 23 N 0.00 1.07 -0.12 3.27 2.04 0.90 -2.74 117.51 121.93 1wxl h ILE 23 Ca 0.00 -2.37 -0.05 0.00 1.00 0.00 0.00 64.86 63.44 1wxl h ILE 23 Cb 0.47 2.70 -0.01 0.00 -0.74 0.00 0.00 36.82 39.24 1wxl h ILE 23 CO 0.00 0.65 -0.15 0.50 0.00 0.00 0.00 178.15 179.15 1wxl h LYS 24 N -0.43 0.19 -0.23 2.37 1.63 -1.40 0.21 116.57 118.89 1wxl h LYS 24 Ca -0.29 -0.04 -0.19 0.00 -0.85 0.00 0.00 60.65 59.28 1wxl h LYS 24 Cb 1.65 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 33.26 1wxl h LYS 24 CO 0.02 0.34 -0.62 0.07 -3.45 0.00 0.00 179.45 175.82 1wxl h ARG 25 N 0.18 0.80 0.00 1.90 0.11 -1.64 0.33 114.38 116.06 1wxl h ARG 25 Ca 0.04 -0.55 0.00 0.00 0.10 0.00 0.00 59.98 59.57 1wxl h ARG 25 Cb 0.38 0.08 0.00 0.00 1.11 0.00 0.00 29.97 31.54 1wxl h ARG 25 CO 0.02 1.17 0.00 0.39 0.10 0.00 0.00 179.97 181.66 1wxl n GLU 26 N -3.97 0.19 -2.94 0.08 -0.58 -0.56 -3.84 120.64 109.02 1wxl n GLU 26 Ca -0.05 0.47 -0.12 0.00 -0.42 0.00 0.00 57.16 57.05 1wxl n GLU 26 Cb 0.66 -1.91 -0.02 0.00 -0.57 0.00 0.00 31.44 29.61 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 -2.28 -2.39 -2.23 1.62 3.02 0.62 -5.04 115.26 108.58 1wxl n ASN 27 Ca 0.01 -2.83 -0.06 0.00 -0.03 0.00 0.00 54.58 51.68 1wxl n ASN 27 Cb 0.19 1.03 -0.08 0.00 -0.61 0.00 0.00 39.78 40.32 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 2.60 0.95 -0.10 3.52 -0.04 0.11 -2.47 135.00 139.58 1wxl n PRO 28 Ca 0.20 -0.46 0.00 0.00 -0.04 0.00 0.00 63.50 63.19 1wxl n PRO 28 Cb 0.55 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 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 0.41 0.00 0.55 0.00 -1.26 -5.09 105.19 102.50 1wxl n GLY 29 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -3.79 -0.61 -5.35 -1.03 -5.12 119.36 103.46 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 0.21 0.00 -0.09 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 1.11 0.59 0.32 6.28 -2.85 -1.26 -5.00 119.74 118.93 1wxl s LYS 31 Ca 0.00 -0.18 0.24 0.00 -1.00 0.00 0.00 55.97 55.02 1wxl s LYS 31 Cb 0.00 0.26 1.09 0.00 -2.06 0.00 0.00 37.83 37.12 1wxl s LYS 31 CO 0.00 -0.15 1.14 1.55 0.10 0.00 0.00 175.35 177.98 1wxl n VAL 32 N 1.49 -0.18 0.13 1.79 3.14 -1.26 0.24 118.33 123.68 1wxl n VAL 32 Ca -0.21 1.31 0.09 0.00 -2.96 0.00 0.00 64.34 62.57 1wxl n VAL 32 Cb 0.56 -2.14 0.04 0.00 -1.06 0.00 0.00 33.84 31.23 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 0.18 -0.09 1.55 1.35 -2.00 -3.30 112.91 110.60 1wxl h THR 33 Ca 0.64 -1.30 -0.18 0.00 -0.55 0.00 0.00 66.41 65.02 1wxl h THR 33 Cb 2.08 1.83 -0.00 0.00 -1.73 0.00 0.00 68.15 70.32 1wxl h THR 33 CO -0.33 0.10 -0.70 -0.08 -0.25 0.00 0.00 175.52 174.26 1wxl h GLU 34 N 0.00 0.42 -0.71 4.72 4.81 0.28 -2.73 114.58 121.37 1wxl h GLU 34 Ca -0.03 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1wxl h GLU 34 Cb 1.14 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.55 1wxl h GLU 34 CO 0.01 0.96 0.46 0.82 -0.73 0.00 0.00 179.01 180.54 1wxl h ILE 35 N 0.29 1.19 0.00 2.32 2.04 -1.54 0.34 117.51 122.15 1wxl h ILE 35 Ca -0.03 -0.37 -0.06 0.00 1.00 0.00 0.00 64.86 65.40 1wxl h ILE 35 Cb 1.27 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1wxl h ILE 35 CO 0.12 0.19 -0.30 0.00 0.00 0.00 0.00 178.15 178.16 1wxl h ALA 36 N 1.25 1.37 0.00 1.87 0.00 -1.60 -1.58 119.26 120.56 1wxl h ALA 36 Ca 0.26 -0.27 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 1wxl h ALA 36 Cb -0.09 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1wxl h ALA 36 CO -0.05 0.37 -1.23 1.63 0.00 0.00 0.00 179.25 179.97 1wxl n LYS 37 N -3.98 0.55 0.00 0.00 5.02 -0.77 -3.59 118.16 115.38 1wxl n LYS 37 Ca -0.02 0.54 0.06 0.00 -2.02 0.00 0.00 58.31 56.88 1wxl n LYS 37 Cb 0.36 -1.72 0.28 0.00 -0.02 0.00 0.00 35.03 33.94 1wxl n LYS 37 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1wxl n LYS 38 N -4.45 0.05 -0.03 1.97 3.00 0.11 -2.53 118.16 116.28 1wxl n LYS 38 Ca -0.29 0.25 -0.21 0.00 -0.00 0.00 0.00 58.31 58.05 1wxl n LYS 38 Cb 0.63 -1.50 -0.13 0.00 0.00 0.00 0.00 35.03 34.02 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 2.16 0.20 0.69 3.14 0.00 -1.44 -3.33 103.07 104.49 1wxl h GLY 39 Ca 0.00 -0.50 0.10 0.00 0.00 0.00 0.00 47.33 46.93 1wxl h GLY 39 CO 0.00 0.44 0.59 -1.33 0.00 0.00 0.00 176.54 176.24 1wxl h GLY 40 N 0.01 1.36 0.83 4.60 0.00 -1.55 0.61 103.07 108.94 1wxl h GLY 40 Ca -0.35 -0.39 0.02 0.00 0.00 0.00 0.00 47.33 46.62 1wxl h GLY 40 CO -0.02 0.21 0.16 1.05 0.00 0.00 0.00 176.54 177.94 1wxl h GLU 41 N 0.93 0.32 -0.10 4.80 4.11 -1.68 0.17 114.58 123.13 1wxl h GLU 41 Ca 0.43 -0.02 -0.21 0.00 0.07 0.00 0.00 59.36 59.63 1wxl h GLU 41 Cb 0.39 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1wxl h GLU 41 CO -0.19 0.21 -0.78 0.00 0.07 0.00 0.00 179.01 178.32 1wxl h MET 42 N 0.33 0.57 0.13 1.06 -0.00 -1.41 -3.32 114.93 112.29 1wxl h MET 42 Ca 0.14 -0.49 -0.01 0.00 -0.00 0.00 0.00 59.70 59.34 1wxl h MET 42 Cb 0.06 0.11 0.00 0.00 -0.00 0.00 0.00 31.60 31.77 1wxl h MET 42 CO -0.10 1.11 -0.06 2.35 -0.00 0.00 0.00 176.91 180.21 1wxl h TRP 43 N 0.38 -0.16 -1.73 -0.10 2.91 0.54 -1.19 115.95 116.60 1wxl h TRP 43 Ca -0.05 -0.00 0.50 0.00 1.13 0.00 0.00 58.89 60.47 1wxl h TRP 43 Cb 1.39 0.05 -0.07 0.00 -0.51 0.00 0.00 29.16 30.02 1wxl h TRP 43 CO 0.07 0.04 1.34 0.87 -1.03 0.00 0.00 178.44 179.72 1wxl h LYS 44 N -0.32 0.00 0.00 2.65 6.56 -0.77 0.13 116.57 124.82 1wxl h LYS 44 Ca -0.02 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 1wxl h LYS 44 Cb 0.26 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.92 1wxl h LYS 44 CO 0.03 0.00 -0.23 0.39 -2.06 0.00 0.00 179.45 177.58 1wxl n GLU 45 N -3.82 0.70 -2.90 3.15 -0.58 -1.15 -5.08 120.64 110.96 1wxl n GLU 45 Ca 0.39 -1.61 -0.31 0.00 -0.42 0.00 0.00 57.16 55.21 1wxl n GLU 45 Cb 1.86 -0.93 -0.04 0.00 -0.57 0.00 0.00 31.44 31.77 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 -1.20 3.88 0.00 -4.62 2.34 0.44 -4.98 118.68 114.54 1wxl s LEU 46 Ca 0.13 1.20 0.19 0.00 0.06 0.00 0.00 54.13 55.70 1wxl s LEU 46 Cb 0.11 -4.06 0.52 0.00 -0.56 0.00 0.00 46.19 42.19 1wxl s LEU 46 CO 0.01 -0.36 1.43 1.17 -1.06 0.00 0.00 176.35 177.53 1wxl n LYS 47 N -1.08 2.22 0.00 1.48 0.00 -1.26 -3.56 118.16 115.95 1wxl n LYS 47 Ca 0.03 -1.88 0.11 0.00 0.00 0.00 0.00 58.31 56.58 1wxl n LYS 47 Cb 0.54 -1.44 0.10 0.00 0.00 0.00 0.00 35.03 34.23 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 1.04 1.37 0.11 3.14 -0.08 -1.26 -3.94 116.55 116.94 1wxl n ASP 48 Ca 0.18 -1.10 0.07 0.00 -1.51 0.00 0.00 54.79 52.43 1wxl n ASP 48 Cb 0.47 0.47 0.01 0.00 2.34 0.00 0.00 41.12 44.41 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 1.32 0.00 -0.16 -0.67 3.11 -1.88 0.20 116.57 118.49 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 0.61 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.83 1wxl h LYS 49 CO 0.00 0.18 -0.41 1.03 -2.81 0.00 0.00 179.45 177.44 1wxl h SER 50 N 0.00 0.37 0.58 4.20 0.87 -1.78 1.48 113.55 119.28 1wxl h SER 50 Ca -0.05 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 1wxl h SER 50 Cb 1.24 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 1wxl h SER 50 CO 0.03 0.75 -1.31 2.29 -0.53 0.00 0.00 176.83 178.05 1wxl n LYS 51 N -4.02 0.56 -0.11 2.24 -0.00 -1.21 -4.11 118.16 111.51 1wxl n LYS 51 Ca -0.02 -0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 58.13 1wxl n LYS 51 Cb 0.50 -1.69 -0.13 0.00 -0.00 0.00 0.00 35.03 33.71 1wxl n LYS 51 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.40 178.31 1wxl n TRP 52 N -2.41 0.11 0.03 5.58 5.03 0.69 -4.18 117.44 122.30 1wxl n TRP 52 Ca -0.01 0.03 0.14 0.00 3.03 0.00 0.00 57.50 60.69 1wxl n TRP 52 Cb 0.53 -1.02 0.60 0.00 -1.03 0.00 0.00 31.31 30.40 1wxl n TRP 52 CO 0.00 0.00 0.00 1.05 -0.03 0.00 0.00 177.69 178.71 1wxl h GLU 53 N 0.01 0.16 0.00 -0.99 4.11 0.19 0.22 114.58 118.28 1wxl h GLU 53 Ca -0.55 -0.01 -0.09 0.00 0.07 0.00 0.00 59.36 58.77 1wxl h GLU 53 Cb 2.00 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 31.20 1wxl h GLU 53 CO -0.04 0.11 -0.45 0.22 0.07 0.00 0.00 179.01 178.91 1wxl h ASP 54 N 0.17 0.00 -0.79 3.06 3.58 -1.71 -2.69 116.42 118.04 1wxl h ASP 54 Ca 0.20 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.62 1wxl h ASP 54 Cb 0.57 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.58 1wxl h ASP 54 CO -0.03 0.45 0.37 0.00 -2.88 0.00 0.00 179.24 177.15 1wxl h ALA 55 N 1.55 1.02 -0.27 -0.78 0.00 -0.72 0.37 119.26 120.42 1wxl h ALA 55 Ca -0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1wxl h ALA 55 Cb 0.95 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1wxl h ALA 55 CO 0.06 0.60 0.15 0.00 0.00 0.00 0.00 179.25 180.05 1wxl h ALA 56 N 1.19 0.35 0.00 0.00 0.00 -1.33 0.79 119.26 120.27 1wxl h ALA 56 Ca 0.27 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 1wxl h ALA 56 Cb 0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1wxl h ALA 56 CO -0.03 -0.11 -0.66 0.00 0.00 0.00 0.00 179.25 178.45 1wxl h ALA 57 N 1.02 0.75 0.12 0.00 0.00 -1.31 -2.09 119.26 117.75 1wxl h ALA 57 Ca 0.10 -0.60 -0.27 0.00 0.00 0.00 0.00 54.91 54.13 1wxl h ALA 57 Cb 0.08 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.77 1wxl h ALA 57 CO -0.01 0.82 -1.21 1.57 0.00 0.00 0.00 179.25 180.41 1wxl h LYS 58 N 0.00 0.37 0.00 0.00 2.10 -0.02 -3.13 116.57 115.89 1wxl h LYS 58 Ca -0.01 -0.56 -0.14 0.00 -2.00 0.00 0.00 60.65 57.95 1wxl h LYS 58 Cb 1.29 0.20 -0.02 0.00 -0.90 0.00 0.00 32.23 32.80 1wxl h LYS 58 CO 0.09 1.24 -0.66 0.22 -2.00 0.00 0.00 179.45 178.34 1wxl h ASP 59 N 0.13 0.00 0.14 7.07 1.82 0.62 0.30 116.42 126.51 1wxl h ASP 59 Ca -0.14 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.41 1wxl h ASP 59 Cb 1.91 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.91 1wxl h ASP 59 CO 0.21 0.66 -0.29 0.50 -1.61 0.00 0.00 179.24 178.71 1wxl h LYS 60 N 0.00 0.24 0.02 0.28 3.11 -1.41 0.22 116.57 119.03 1wxl h LYS 60 Ca -0.01 -0.09 -0.16 0.00 -2.81 0.00 0.00 60.65 57.58 1wxl h LYS 60 Cb 1.21 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 32.40 1wxl h LYS 60 CO 0.09 0.51 -0.88 0.37 -2.81 0.00 0.00 179.45 176.73 1wxl h GLN 61 N 0.21 0.04 0.00 1.90 5.75 -1.46 -2.88 115.11 118.67 1wxl h GLN 61 Ca 0.03 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1wxl h GLN 61 Cb 0.63 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.20 1wxl h GLN 61 CO 0.05 1.03 0.00 -0.09 -2.65 0.00 0.00 178.83 177.17 1wxl h ARG 62 N -0.89 0.00 0.00 1.69 2.43 -0.37 0.19 114.38 117.43 1wxl h ARG 62 Ca -0.23 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.93 1wxl h ARG 62 Cb 1.28 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.83 1wxl h ARG 62 CO -0.10 0.00 -0.13 -0.92 -1.51 0.00 0.00 179.97 177.31 1wxl h TYR 63 N 0.00 0.00 0.00 2.20 3.20 -0.65 -3.30 116.97 118.42 1wxl h TYR 63 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1wxl h TYR 63 Cb 0.16 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.43 1wxl h TYR 63 CO 0.00 0.25 0.00 -2.39 -1.64 0.00 0.00 178.16 174.38 1wxl n HIS 64 N -4.71 0.35 0.28 -3.82 1.44 -1.08 0.33 115.22 108.01 1wxl n HIS 64 Ca -0.04 0.16 0.12 0.00 -2.01 0.00 0.00 57.72 55.94 1wxl n HIS 64 Cb 0.16 -0.75 0.15 0.00 0.12 0.00 0.00 29.99 29.67 1wxl n HIS 64 CO 0.00 0.00 0.00 0.22 -2.81 0.00 0.00 176.34 173.75 1wxl h ASP 65 N 0.00 0.00 0.00 4.39 1.82 -0.71 -3.34 116.42 118.57 1wxl h ASP 65 Ca 0.00 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.61 1wxl h ASP 65 Cb 0.17 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.18 1wxl h ASP 65 CO 0.00 0.01 0.00 -1.84 -1.61 0.00 0.00 179.24 175.80 1wxl n GLU 66 N -2.74 0.00 0.07 0.28 0.28 -0.57 -4.67 120.64 113.29 1wxl n GLU 66 Ca 0.03 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.90 1wxl n GLU 66 Cb 0.51 -0.36 -0.08 0.00 1.43 0.00 0.00 31.44 32.94 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 -0.17 -0.73 3.44 2.86 0.54 1.79 114.93 122.66 1wxl h MET 67 Ca 0.00 0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.59 1wxl h MET 67 Cb 0.00 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.67 1wxl h MET 67 CO 0.00 0.11 0.21 0.07 1.06 0.00 0.00 176.91 178.36 1wxl h ARG 68 N -0.44 1.14 0.00 1.72 0.11 -1.37 -3.28 114.38 112.26 1wxl h ARG 68 Ca -0.02 -0.25 0.00 0.00 0.10 0.00 0.00 59.98 59.81 1wxl h ARG 68 Cb 0.35 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 31.27 1wxl h ARG 68 CO 0.03 0.98 0.00 0.09 0.10 0.00 0.00 179.97 181.17 1wxl n ASN 69 N -4.24 0.00 -4.79 0.08 5.03 -1.07 -4.76 115.26 105.50 1wxl n ASN 69 Ca 0.06 0.68 -0.34 0.00 0.87 0.00 0.00 54.58 55.85 1wxl n ASN 69 Cb 0.24 -0.18 -0.07 0.00 -1.02 0.00 0.00 39.78 38.75 1wxl n ASN 69 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 1wxl s TYR 70 N -1.71 3.32 -0.04 3.10 1.13 0.61 -5.02 117.35 118.74 1wxl s TYR 70 Ca 0.00 0.25 0.01 0.00 -1.41 0.00 0.00 57.07 55.92 1wxl s TYR 70 Cb 0.00 -1.77 0.02 0.00 -1.10 0.00 0.00 41.96 39.11 1wxl s TYR 70 CO 0.00 0.57 -0.05 0.21 -2.51 0.00 0.00 175.55 173.76 1wxl s LYS 71 N -1.57 0.86 0.31 -3.49 2.20 -1.26 -4.03 119.74 112.76 1wxl s LYS 71 Ca 0.21 -0.15 -0.29 0.00 -0.36 0.00 0.00 55.97 55.38 1wxl s LYS 71 Cb -0.12 -0.83 -0.10 0.00 -1.51 0.00 0.00 37.83 35.26 1wxl s LYS 71 CO 0.12 -0.04 1.38 -1.25 -0.36 0.00 0.00 175.35 175.20 1wxl s PRO 72 N 0.72 4.28 -1.55 4.03 0.04 -1.26 -2.62 135.00 138.65 1wxl s PRO 72 Ca -0.10 2.31 -0.02 0.00 0.04 0.00 0.00 61.00 63.23 1wxl s PRO 72 Cb -0.13 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.35 1wxl s PRO 72 CO 0.00 -0.32 0.21 -1.91 0.04 0.00 0.00 177.00 175.02 1wxl n GLU 73 N 1.20 -2.63 -0.50 4.56 4.07 -1.26 -5.04 120.64 121.05 1wxl n GLU 73 Ca 0.02 0.89 0.00 0.00 -0.06 0.00 0.00 57.16 58.01 1wxl n GLU 73 Cb 0.41 -5.50 0.00 0.00 -0.06 0.00 0.00 31.44 26.29 1wxl n GLU 73 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07