#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 -0.67 -0.18 1.43 0.00 -1.26 -4.46 115.29 110.15 1wxl s HIS 3 Ca 0.00 1.06 -0.24 0.00 -3.00 0.00 0.00 55.06 52.88 1wxl s HIS 3 Cb 0.00 0.36 -0.21 0.00 -4.00 0.00 0.00 32.58 28.73 1wxl s HIS 3 CO 0.00 -0.34 0.43 0.52 -1.00 0.00 0.00 174.74 174.35 1wxl h MET 4 N 7.58 0.00 -2.08 -0.38 0.00 -1.99 -3.38 114.93 114.68 1wxl h MET 4 Ca -0.15 0.00 -0.23 0.00 0.00 0.00 0.00 59.70 59.31 1wxl h MET 4 Cb 1.13 0.00 -0.06 0.00 0.00 0.00 0.00 31.60 32.66 1wxl h MET 4 CO 0.06 0.98 -0.04 -2.30 0.00 0.00 0.00 176.91 175.61 1wxl n PRO 5 N -4.51 2.14 -0.98 -0.22 -0.02 -1.26 -4.69 135.00 125.46 1wxl n PRO 5 Ca -0.23 -1.12 -0.12 0.00 -2.02 0.00 0.00 63.50 60.00 1wxl n PRO 5 Cb 0.59 -2.07 -0.12 0.00 -0.02 0.00 0.00 33.50 31.89 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 2.55 1.89 0.00 -0.52 2.85 -1.26 -4.68 118.16 118.98 1wxl n LYS 6 Ca 0.46 -1.05 0.00 0.00 -1.05 0.00 0.00 58.31 56.67 1wxl n LYS 6 Cb 0.86 -1.84 0.00 0.00 -0.65 0.00 0.00 35.03 33.39 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 2.02 0.00 -0.89 -1.58 1.74 -1.26 -5.05 116.66 111.64 1wxl n ARG 7 Ca 0.36 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.41 1wxl n ARG 7 Cb 0.79 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 32.25 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 -1.49 0.02 -2.61 7.54 0.00 -1.26 -5.00 120.51 117.70 1wxl n ALA 8 Ca 0.00 -0.30 -0.39 0.00 0.00 0.00 0.00 53.44 52.75 1wxl n ALA 8 Cb 0.00 0.05 -0.09 0.00 0.00 0.00 0.00 19.45 19.40 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 -0.33 5.21 0.80 0.00 -4.23 -1.26 -4.87 115.64 110.97 1wxl s THR 9 Ca 0.10 0.48 -0.13 0.00 -1.18 0.00 0.00 61.69 60.96 1wxl s THR 9 Cb -0.01 -3.66 0.08 0.00 1.34 0.00 0.00 72.50 70.26 1wxl s THR 9 CO 0.07 0.20 1.21 0.42 -0.54 0.00 0.00 174.62 175.97 1wxl s THR 10 N 1.87 2.05 0.33 3.99 -4.23 -1.26 -3.66 115.64 114.73 1wxl s THR 10 Ca 0.13 0.02 0.10 0.00 -1.18 0.00 0.00 61.69 60.77 1wxl s THR 10 Cb -0.16 -2.44 0.35 0.00 1.34 0.00 0.00 72.50 71.59 1wxl s THR 10 CO 0.10 -0.02 1.62 0.00 -0.54 0.00 0.00 174.62 175.78 1wxl h ALA 11 N -0.88 1.65 -0.05 3.99 0.00 -1.87 1.05 119.26 123.16 1wxl h ALA 11 Ca -0.46 0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 1wxl h ALA 11 Cb 1.30 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 1wxl h ALA 11 CO 0.46 -0.64 -0.69 0.35 0.00 0.00 0.00 179.25 178.73 1wxl h PHE 12 N 0.14 0.31 0.13 0.00 3.04 -1.93 -2.81 116.94 115.83 1wxl h PHE 12 Ca 0.68 -0.14 -0.01 0.00 3.98 0.00 0.00 57.97 62.49 1wxl h PHE 12 Cb 1.57 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 40.03 1wxl h PHE 12 CO -0.18 0.85 -0.06 1.98 -2.02 0.00 0.00 178.31 178.88 1wxl h MET 13 N 0.16 -0.16 -0.57 1.11 4.05 0.61 0.42 114.93 120.55 1wxl h MET 13 Ca -0.02 0.01 0.16 0.00 -0.28 0.00 0.00 59.70 59.58 1wxl h MET 13 Cb 1.24 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 32.06 1wxl h MET 13 CO 0.11 -0.11 0.64 1.37 0.23 0.00 0.00 176.91 179.15 1wxl h LEU 14 N -0.77 0.00 0.05 3.39 -0.00 -0.44 1.90 115.31 119.45 1wxl h LEU 14 Ca -0.02 0.00 -0.30 0.00 -0.00 0.00 0.00 57.88 57.56 1wxl h LEU 14 Cb 0.13 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.76 1wxl h LEU 14 CO 0.03 0.00 -1.66 1.87 -0.00 0.00 0.00 178.44 178.68 1wxl n TRP 15 N -3.57 1.05 0.52 0.17 -0.00 -1.06 -3.44 117.44 111.11 1wxl n TRP 15 Ca 0.11 0.34 0.06 0.00 -0.00 0.00 0.00 57.50 58.01 1wxl n TRP 15 Cb 0.85 -1.12 0.29 0.00 -0.00 0.00 0.00 31.31 31.33 1wxl n TRP 15 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 177.69 177.58 1wxl n LEU 16 N -4.01 0.00 -0.07 5.87 7.94 0.15 -0.15 117.00 126.73 1wxl n LEU 16 Ca -0.34 0.36 -0.10 0.00 -1.11 0.00 0.00 56.01 54.82 1wxl n LEU 16 Cb 0.85 -0.36 -0.08 0.00 0.53 0.00 0.00 43.42 44.36 1wxl n LEU 16 CO 0.28 -0.21 0.16 0.78 -1.11 0.00 0.00 177.39 177.29 1wxl h ASN 17 N 0.00 0.00 0.83 1.96 2.35 0.27 2.71 115.58 123.71 1wxl h ASN 17 Ca 0.00 -0.59 -0.07 0.00 -0.55 0.00 0.00 56.30 55.09 1wxl h ASN 17 Cb 0.15 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1wxl h ASN 17 CO 0.00 0.87 -0.33 0.44 -1.65 0.00 0.00 177.43 176.76 1wxl h ASP 18 N -1.00 0.00 0.00 5.81 5.19 -1.51 -3.04 116.42 121.87 1wxl h ASP 18 Ca -0.03 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.27 1wxl h ASP 18 Cb 0.68 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.17 1wxl h ASP 18 CO -0.02 0.33 -1.97 0.41 -3.12 0.00 0.00 179.24 174.88 1wxl n THR 19 N -3.52 0.41 -0.23 0.35 -1.04 0.79 -4.18 114.28 106.86 1wxl n THR 19 Ca -0.00 -0.53 0.18 0.00 -2.04 0.00 0.00 64.05 61.65 1wxl n THR 19 Cb 0.48 -0.14 0.49 0.00 -1.82 0.00 0.00 70.33 69.35 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 0.43 -0.48 -2.82 2.43 0.49 1.99 114.38 116.41 1wxl h ARG 20 Ca -0.16 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 58.86 1wxl h ARG 20 Cb 1.27 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.71 1wxl h ARG 20 CO 0.01 0.28 -0.17 1.05 -1.51 0.00 0.00 179.97 179.64 1wxl h GLU 21 N 0.44 0.95 0.00 0.20 4.11 -1.73 -2.79 114.58 115.76 1wxl h GLU 21 Ca 0.45 -0.37 -0.08 0.00 0.07 0.00 0.00 59.36 59.43 1wxl h GLU 21 Cb 1.06 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1wxl h GLU 21 CO -0.17 1.03 -0.39 0.77 0.07 0.00 0.00 179.01 180.32 1wxl h SER 22 N 0.83 0.00 -0.40 3.06 0.02 0.26 -2.89 113.55 114.42 1wxl h SER 22 Ca 0.12 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.94 1wxl h SER 22 Cb 0.72 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 1wxl h SER 22 CO 0.06 0.39 -0.26 0.40 -1.14 0.00 0.00 176.83 176.28 1wxl h ILE 23 N 0.00 1.28 0.00 3.27 2.04 0.86 -1.90 117.51 123.05 1wxl h ILE 23 Ca -0.00 -1.42 -0.06 0.00 1.00 0.00 0.00 64.86 64.38 1wxl h ILE 23 Cb 0.85 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 1wxl h ILE 23 CO 0.05 0.48 -0.26 0.50 0.00 0.00 0.00 178.15 178.91 1wxl h LYS 24 N 0.71 0.00 0.24 2.37 1.63 -1.42 -1.26 116.57 118.84 1wxl h LYS 24 Ca 0.08 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.87 1wxl h LYS 24 Cb 0.84 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.47 1wxl h LYS 24 CO 0.07 0.26 -0.11 0.00 -3.45 0.00 0.00 179.45 176.22 1wxl h ARG 25 N 0.00 -0.31 0.00 1.90 2.47 -1.27 0.29 114.38 117.46 1wxl h ARG 25 Ca -0.00 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 1wxl h ARG 25 Cb 0.81 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.20 1wxl h ARG 25 CO 0.03 0.05 0.00 -0.85 0.56 0.00 0.00 179.97 179.76 1wxl n GLU 26 N -5.05 0.12 -3.09 0.04 0.28 -0.75 -3.66 120.64 108.52 1wxl n GLU 26 Ca -0.09 0.47 -0.16 0.00 -0.16 0.00 0.00 57.16 57.22 1wxl n GLU 26 Cb 0.26 -1.78 -0.05 0.00 1.43 0.00 0.00 31.44 31.30 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 -2.01 -1.82 -1.91 -1.84 3.02 -0.48 -5.02 115.26 105.19 1wxl n ASN 27 Ca 0.01 -2.65 -0.05 0.00 -0.03 0.00 0.00 54.58 51.85 1wxl n ASN 27 Cb 0.13 0.51 -0.08 0.00 -0.61 0.00 0.00 39.78 39.73 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 2.78 1.22 -0.20 3.52 -0.04 0.97 -2.88 135.00 140.37 1wxl n PRO 28 Ca 0.24 -0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.24 1wxl n PRO 28 Cb 0.52 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 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 2.21 0.57 0.00 0.55 0.00 -1.26 -5.09 105.19 102.16 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 -3.56 -0.61 -5.35 -1.14 -5.14 119.36 103.56 1wxl n ILE 30 Ca 0.00 0.00 -0.14 0.00 -0.27 0.00 0.00 62.75 62.34 1wxl n ILE 30 Cb 0.28 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 38.13 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 1.96 1.05 0.41 6.28 -2.85 -1.26 -5.00 119.74 120.33 1wxl s LYS 31 Ca 0.00 -0.23 0.35 0.00 -1.00 0.00 0.00 55.97 55.09 1wxl s LYS 31 Cb 0.00 0.48 1.33 0.00 -2.06 0.00 0.00 37.83 37.58 1wxl s LYS 31 CO 0.00 -0.38 1.27 1.55 0.10 0.00 0.00 175.35 177.88 1wxl n VAL 32 N 0.38 -0.09 0.08 1.79 3.14 -1.26 0.20 118.33 122.57 1wxl n VAL 32 Ca -0.18 1.32 -0.04 0.00 -2.96 0.00 0.00 64.34 62.47 1wxl n VAL 32 Cb 0.60 -2.18 -0.08 0.00 -1.06 0.00 0.00 33.84 31.13 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 1.41 0.00 1.55 1.35 -1.99 -2.94 112.91 112.29 1wxl h THR 33 Ca 0.74 -3.02 -0.05 0.00 -0.55 0.00 0.00 66.41 63.53 1wxl h THR 33 Cb 2.75 2.69 -0.01 0.00 -1.73 0.00 0.00 68.15 71.85 1wxl h THR 33 CO -0.17 0.80 -0.50 -0.08 -0.25 0.00 0.00 175.52 175.33 1wxl h GLU 34 N 0.00 0.00 -0.05 4.72 4.81 0.19 -2.64 114.58 121.61 1wxl h GLU 34 Ca -0.02 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1wxl h GLU 34 Cb 1.67 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.05 1wxl h GLU 34 CO 0.11 0.19 -0.08 0.82 -0.73 0.00 0.00 179.01 179.32 1wxl h ILE 35 N 0.00 1.42 0.00 2.32 2.04 -1.27 0.29 117.51 122.30 1wxl h ILE 35 Ca -0.02 -1.37 -0.04 0.00 1.00 0.00 0.00 64.86 64.42 1wxl h ILE 35 Cb 1.19 2.23 -0.01 0.00 -0.74 0.00 0.00 36.82 39.49 1wxl h ILE 35 CO 0.03 0.37 -0.21 0.00 0.00 0.00 0.00 178.15 178.34 1wxl h ALA 36 N 0.48 1.04 0.00 1.87 0.00 -1.58 -1.92 119.26 119.14 1wxl h ALA 36 Ca 0.00 -0.19 -0.20 0.00 0.00 0.00 0.00 54.91 54.52 1wxl h ALA 36 Cb 0.65 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1wxl h ALA 36 CO 0.02 0.27 -1.32 1.63 0.00 0.00 0.00 179.25 179.84 1wxl n LYS 37 N -3.40 0.54 0.07 0.00 4.76 -1.00 -3.35 118.16 115.79 1wxl n LYS 37 Ca 0.00 0.46 0.09 0.00 -2.87 0.00 0.00 58.31 55.99 1wxl n LYS 37 Cb 0.41 -1.65 0.39 0.00 -1.84 0.00 0.00 35.03 32.35 1wxl n LYS 37 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1wxl n LYS 38 N -4.44 0.10 -0.04 1.97 -0.00 0.10 -2.57 118.16 113.28 1wxl n LYS 38 Ca -0.29 0.37 -0.22 0.00 -0.00 0.00 0.00 58.31 58.18 1wxl n LYS 38 Cb 0.60 -1.70 -0.13 0.00 -0.00 0.00 0.00 35.03 33.80 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 2.06 0.19 0.03 2.58 0.00 -1.47 -3.35 103.07 103.11 1wxl h GLY 39 Ca 0.00 -0.47 0.19 0.00 0.00 0.00 0.00 47.33 47.05 1wxl h GLY 39 CO 0.00 0.42 0.48 -1.33 0.00 0.00 0.00 176.54 176.11 1wxl h GLY 40 N 0.10 1.58 0.60 4.60 0.00 -1.50 0.66 103.07 109.11 1wxl h GLY 40 Ca -0.37 -0.26 0.07 0.00 0.00 0.00 0.00 47.33 46.77 1wxl h GLY 40 CO -0.03 -0.14 0.35 1.05 0.00 0.00 0.00 176.54 177.77 1wxl h GLU 41 N 0.58 0.61 -0.02 4.80 4.11 -1.69 0.15 114.58 123.13 1wxl h GLU 41 Ca 0.54 -0.04 -0.21 0.00 0.07 0.00 0.00 59.36 59.72 1wxl h GLU 41 Cb 0.90 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 1wxl h GLU 41 CO -0.43 0.41 -0.89 0.00 0.07 0.00 0.00 179.01 178.17 1wxl h MET 42 N 0.63 0.40 0.62 1.06 -0.00 -0.88 -3.29 114.93 113.46 1wxl h MET 42 Ca 0.31 -0.40 -0.03 0.00 -0.00 0.00 0.00 59.70 59.58 1wxl h MET 42 Cb 0.25 0.11 0.01 0.00 -0.00 0.00 0.00 31.60 31.96 1wxl h MET 42 CO -0.21 1.07 -0.30 2.35 -0.00 0.00 0.00 176.91 179.81 1wxl h TRP 43 N 0.23 -0.77 -0.42 -0.10 2.91 0.97 -2.57 115.95 116.21 1wxl h TRP 43 Ca -0.07 -0.02 0.12 0.00 1.13 0.00 0.00 58.89 60.06 1wxl h TRP 43 Cb 1.51 0.25 -0.02 0.00 -0.51 0.00 0.00 29.16 30.40 1wxl h TRP 43 CO 0.05 -0.45 0.54 -0.22 -1.03 0.00 0.00 178.44 177.34 1wxl h LYS 44 N -0.94 0.00 -0.98 2.65 1.63 -0.84 0.16 116.57 118.25 1wxl h LYS 44 Ca -0.08 0.00 -0.59 0.00 -0.85 0.00 0.00 60.65 59.12 1wxl h LYS 44 Cb 0.67 0.00 -0.40 0.00 -0.60 0.00 0.00 32.23 31.91 1wxl h LYS 44 CO 0.14 0.00 -0.41 0.39 -3.45 0.00 0.00 179.45 176.12 1wxl n GLU 45 N -3.50 3.38 -4.52 1.90 -0.58 -0.99 -5.01 120.64 111.32 1wxl n GLU 45 Ca 0.08 -4.04 -0.21 0.00 -0.42 0.00 0.00 57.16 52.57 1wxl n GLU 45 Cb 0.71 -2.28 -0.14 0.00 -0.57 0.00 0.00 31.44 29.16 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 -3.66 2.08 -0.13 -4.62 2.34 0.04 -4.98 118.68 109.75 1wxl s LEU 46 Ca 0.53 -0.31 0.07 0.00 0.06 0.00 0.00 54.13 54.48 1wxl s LEU 46 Cb 0.43 -0.66 0.43 0.00 -0.56 0.00 0.00 46.19 45.83 1wxl s LEU 46 CO -0.03 0.12 1.18 2.29 -1.06 0.00 0.00 176.35 178.85 1wxl n LYS 47 N 2.46 2.95 -0.00 1.48 -0.00 -1.26 -3.27 118.16 120.52 1wxl n LYS 47 Ca -0.15 -1.65 0.07 0.00 -0.00 0.00 0.00 58.31 56.58 1wxl n LYS 47 Cb 0.55 -1.88 -0.09 0.00 -0.00 0.00 0.00 35.03 33.61 1wxl n LYS 47 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1wxl n ASP 48 N 0.28 1.18 0.14 -5.58 9.92 -1.26 -4.34 116.55 116.87 1wxl n ASP 48 Ca 0.16 -0.44 0.00 0.00 -0.53 0.00 0.00 54.79 53.98 1wxl n ASP 48 Cb 0.78 1.30 0.12 0.00 -0.64 0.00 0.00 41.12 42.68 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 0.00 -1.24 3.11 -1.85 0.85 116.57 117.43 1wxl h LYS 49 Ca 0.00 0.00 -0.10 0.00 -2.81 0.00 0.00 60.65 57.74 1wxl h LYS 49 Cb 0.47 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.69 1wxl h LYS 49 CO 0.00 0.60 -0.45 1.03 -2.81 0.00 0.00 179.45 177.82 1wxl h SER 50 N 0.00 0.00 0.15 4.20 0.87 -1.77 1.45 113.55 118.45 1wxl h SER 50 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1wxl h SER 50 Cb 1.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 1wxl h SER 50 CO 0.08 0.45 -1.47 2.29 -0.53 0.00 0.00 176.83 177.65 1wxl n LYS 51 N -3.79 0.40 -0.12 2.24 -0.00 -1.05 -4.26 118.16 111.58 1wxl n LYS 51 Ca -0.01 -0.09 -0.22 0.00 -0.00 0.00 0.00 58.31 57.99 1wxl n LYS 51 Cb 0.51 -1.55 -0.10 0.00 -0.00 0.00 0.00 35.03 33.90 1wxl n LYS 51 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.40 179.27 1wxl n TRP 52 N -2.02 0.00 -0.21 5.58 -0.00 0.29 -4.23 117.44 116.86 1wxl n TRP 52 Ca -0.00 0.00 0.27 0.00 -0.00 0.00 0.00 57.50 57.76 1wxl n TRP 52 Cb 0.48 -0.89 0.67 0.00 -0.00 0.00 0.00 31.31 31.57 1wxl n TRP 52 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 177.69 178.74 1wxl h GLU 53 N -0.54 0.10 -0.05 5.87 -0.00 0.18 0.85 114.58 120.99 1wxl h GLU 53 Ca -0.59 -0.01 -0.13 0.00 -0.00 0.00 0.00 59.36 58.64 1wxl h GLU 53 Cb 1.65 -0.02 -0.01 0.00 -0.00 0.00 0.00 28.75 30.36 1wxl h GLU 53 CO -0.26 0.07 -0.56 0.22 -0.00 0.00 0.00 179.01 178.47 1wxl h ASP 54 N 0.10 0.18 -0.52 3.06 1.82 -1.74 -2.70 116.42 116.62 1wxl h ASP 54 Ca 0.45 -0.10 0.07 0.00 -0.39 0.00 0.00 57.03 57.06 1wxl h ASP 54 Cb 1.62 -0.05 -0.06 0.00 0.68 0.00 0.00 39.33 41.52 1wxl h ASP 54 CO -0.06 0.71 0.20 0.00 -1.61 0.00 0.00 179.24 178.48 1wxl h ALA 55 N 1.30 0.65 -0.14 -0.78 0.00 0.55 0.28 119.26 121.12 1wxl h ALA 55 Ca -0.00 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1wxl h ALA 55 Cb 1.03 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1wxl h ALA 55 CO 0.08 -0.20 -0.06 0.00 0.00 0.00 0.00 179.25 179.08 1wxl h ALA 56 N 1.34 0.07 0.00 0.00 0.00 -1.31 1.09 119.26 120.45 1wxl h ALA 56 Ca 0.25 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1wxl h ALA 56 Cb 0.26 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1wxl h ALA 56 CO -0.24 -0.50 0.00 0.00 0.00 0.00 0.00 179.25 178.50 1wxl h ALA 57 N 1.10 1.00 0.11 0.00 0.00 -1.14 0.14 119.26 120.47 1wxl h ALA 57 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.62 1wxl h ALA 57 Cb 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1wxl h ALA 57 CO -0.17 0.00 -2.04 0.36 0.00 0.00 0.00 179.25 177.40 1wxl n LYS 58 N -2.43 0.74 0.08 0.00 2.85 0.93 -3.50 118.16 116.83 1wxl n LYS 58 Ca 0.01 0.26 -0.19 0.00 -1.05 0.00 0.00 58.31 57.33 1wxl n LYS 58 Cb 0.18 -1.69 -0.15 0.00 -0.65 0.00 0.00 35.03 32.73 1wxl n LYS 58 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 1wxl h ASP 59 N 0.03 0.51 -0.15 -5.58 1.82 0.14 -1.94 116.42 111.25 1wxl h ASP 59 Ca -0.44 -0.66 -0.03 0.00 -0.39 0.00 0.00 57.03 55.50 1wxl h ASP 59 Cb 2.00 -0.17 -0.00 0.00 0.68 0.00 0.00 39.33 41.84 1wxl h ASP 59 CO 0.06 1.54 -0.04 0.07 -1.61 0.00 0.00 179.24 179.26 1wxl h LYS 60 N 0.09 0.29 0.00 0.28 -0.00 -0.92 0.33 116.57 116.64 1wxl h LYS 60 Ca -0.25 -0.11 -0.04 0.00 -0.00 0.00 0.00 60.65 60.25 1wxl h LYS 60 Cb 2.05 -0.02 -0.01 0.00 -0.00 0.00 0.00 32.23 34.26 1wxl h LYS 60 CO 0.19 0.58 -0.18 0.37 -0.00 0.00 0.00 179.45 180.41 1wxl h GLN 61 N -0.02 0.00 0.00 0.07 4.15 -1.69 -0.78 115.11 116.84 1wxl h GLN 61 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.46 1wxl h GLN 61 Cb 0.47 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.16 1wxl h GLN 61 CO 0.02 0.18 -0.77 -0.09 -1.93 0.00 0.00 178.83 176.24 1wxl h ARG 62 N 0.00 0.00 0.10 1.69 2.43 -1.00 -1.82 114.38 115.79 1wxl h ARG 62 Ca -0.00 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.92 1wxl h ARG 62 Cb 0.61 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1wxl h ARG 62 CO 0.02 0.00 -1.25 -0.92 -1.51 0.00 0.00 179.97 176.32 1wxl h TYR 63 N 0.00 0.40 0.00 2.20 3.20 0.31 -3.31 116.97 119.78 1wxl h TYR 63 Ca 0.00 -0.29 -0.12 0.00 3.14 0.00 0.00 58.73 61.45 1wxl h TYR 63 Cb 0.81 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.05 1wxl h TYR 63 CO 0.00 1.49 -0.58 1.12 -1.64 0.00 0.00 178.16 178.55 1wxl h HIS 64 N -0.40 0.00 0.00 -3.82 2.07 -1.30 2.54 115.15 114.25 1wxl h HIS 64 Ca -0.27 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.25 1wxl h HIS 64 Cb 1.67 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.65 1wxl h HIS 64 CO 0.14 0.58 0.00 -0.25 -3.07 0.00 0.00 177.93 175.33 1wxl n ASP 65 N -3.63 0.00 0.00 3.10 9.92 -0.68 -3.22 116.55 122.04 1wxl n ASP 65 Ca -0.01 0.26 0.00 0.00 -0.53 0.00 0.00 54.79 54.52 1wxl n ASP 65 Cb 0.63 -0.29 0.00 0.00 -0.64 0.00 0.00 41.12 40.82 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 -1.29 0.00 -0.06 -1.24 0.00 -1.10 -4.94 120.64 112.01 1wxl n GLU 66 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 57.16 57.23 1wxl n GLU 66 Cb 0.01 0.00 0.09 0.00 0.00 0.00 0.00 31.44 31.54 1wxl n GLU 66 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1wxl n MET 67 N -0.31 1.76 -0.30 3.44 2.81 0.76 -4.70 117.12 120.59 1wxl n MET 67 Ca 0.00 -2.14 0.09 0.00 -1.81 0.00 0.00 57.70 53.85 1wxl n MET 67 Cb 0.00 -1.29 0.22 0.00 -0.71 0.00 0.00 33.22 31.45 1wxl n MET 67 CO 0.00 0.00 0.00 0.07 1.51 0.00 0.00 175.97 177.55 1wxl h ARG 68 N 0.00 0.08 -0.18 0.03 0.11 0.13 0.40 114.38 114.95 1wxl h ARG 68 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1wxl h ARG 68 Cb 0.85 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.91 1wxl h ARG 68 CO 0.00 0.06 0.00 0.27 0.10 0.00 0.00 179.97 180.40 1wxl n ASN 69 N -5.38 3.35 -0.26 0.08 0.23 -1.26 -4.71 115.26 107.31 1wxl n ASN 69 Ca 0.18 -2.96 0.33 0.00 -0.53 0.00 0.00 54.58 51.60 1wxl n ASN 69 Cb 0.60 -0.48 0.72 0.00 -2.08 0.00 0.00 39.78 38.54 1wxl n ASN 69 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 1wxl h TYR 70 N 1.25 0.00 -1.16 -2.53 3.20 -1.18 -3.40 116.97 113.14 1wxl h TYR 70 Ca 0.00 0.00 -0.61 0.00 3.14 0.00 0.00 58.73 61.26 1wxl h TYR 70 Cb 1.26 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.51 1wxl h TYR 70 CO 0.33 0.00 1.50 0.36 -1.64 0.00 0.00 178.16 178.70 1wxl n LYS 71 N -3.98 1.06 -1.14 1.82 2.85 -1.26 -4.93 118.16 112.57 1wxl n LYS 71 Ca 0.23 0.24 -0.27 0.00 -1.05 0.00 0.00 58.31 57.46 1wxl n LYS 71 Cb 1.21 -2.61 0.22 0.00 -0.65 0.00 0.00 35.03 33.19 1wxl n LYS 71 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1wxl n PRO 72 N 8.43 -2.52 0.00 -1.58 -0.04 -1.26 -4.41 135.00 133.61 1wxl n PRO 72 Ca 0.42 -1.66 0.00 0.00 -0.04 0.00 0.00 63.50 62.21 1wxl n PRO 72 Cb 0.29 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 1wxl n PRO 72 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1wxl n GLU 73 N -4.30 0.00 0.00 0.54 4.71 -1.26 -5.02 120.64 115.30 1wxl n GLU 73 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.29 1wxl n GLU 73 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.96 1wxl n GLU 73 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22