#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 -3.64 7.33 -0.00 -1.26 -4.97 115.22 112.67 1wxl n HIS 3 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.69 1wxl n HIS 3 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 29.94 1wxl n HIS 3 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1wxl s MET 4 N 0.00 0.08 -1.45 -1.40 0.00 -1.26 -5.07 119.30 110.20 1wxl s MET 4 Ca 0.00 0.04 -0.14 0.00 0.00 0.00 0.00 55.69 55.59 1wxl s MET 4 Cb 0.00 0.04 0.04 0.00 0.00 0.00 0.00 34.83 34.91 1wxl s MET 4 CO 0.00 -0.02 2.21 -0.35 0.00 0.00 0.00 175.02 176.86 1wxl n PRO 5 N 0.96 2.87 -0.87 3.16 -0.04 -1.26 -4.82 135.00 134.99 1wxl n PRO 5 Ca -0.05 -2.63 -0.15 0.00 -0.04 0.00 0.00 63.50 60.64 1wxl n PRO 5 Cb 0.58 -3.29 -0.11 0.00 -0.04 0.00 0.00 33.50 30.63 1wxl n PRO 5 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1wxl n LYS 6 N 6.16 1.95 -1.19 0.54 5.02 -1.26 -4.59 118.16 124.79 1wxl n LYS 6 Ca 0.52 -1.06 -0.08 0.00 -2.02 0.00 0.00 58.31 55.67 1wxl n LYS 6 Cb 0.39 -2.08 -0.03 0.00 -0.02 0.00 0.00 35.03 33.29 1wxl n LYS 6 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1wxl n ARG 7 N 2.88 -1.27 -0.75 1.97 0.63 -1.26 -4.54 116.66 114.32 1wxl n ARG 7 Ca 0.42 0.50 0.09 0.00 -0.92 0.00 0.00 57.85 57.94 1wxl n ARG 7 Cb 0.62 -4.59 -0.05 0.00 0.45 0.00 0.00 32.46 28.89 1wxl n ARG 7 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1wxl n ALA 8 N 0.05 -1.97 -2.86 5.13 0.00 -1.26 -4.61 120.51 114.99 1wxl n ALA 8 Ca -0.08 0.49 -0.34 0.00 0.00 0.00 0.00 53.44 53.50 1wxl n ALA 8 Cb 0.29 -0.82 -0.10 0.00 0.00 0.00 0.00 19.45 18.81 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 -3.67 4.53 0.71 0.00 2.01 -1.26 -4.89 115.64 113.07 1wxl s THR 9 Ca 0.00 -0.13 -0.16 0.00 0.31 0.00 0.00 61.69 61.72 1wxl s THR 9 Cb 0.00 -3.03 0.03 0.00 0.01 0.00 0.00 72.50 69.51 1wxl s THR 9 CO 0.00 0.46 1.22 0.42 -0.69 0.00 0.00 174.62 176.03 1wxl s THR 10 N 0.42 2.30 0.30 -0.82 -4.23 -1.26 -3.67 115.64 108.68 1wxl s THR 10 Ca 0.01 0.16 0.04 0.00 -1.18 0.00 0.00 61.69 60.72 1wxl s THR 10 Cb -0.13 -2.80 0.34 0.00 1.34 0.00 0.00 72.50 71.25 1wxl s THR 10 CO 0.01 -0.07 1.62 0.00 -0.54 0.00 0.00 174.62 175.64 1wxl h ALA 11 N -0.09 1.34 -0.08 3.99 0.00 -1.86 1.60 119.26 124.16 1wxl h ALA 11 Ca -0.48 0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 1wxl h ALA 11 Cb 1.30 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 1wxl h ALA 11 CO 0.51 -0.55 -0.48 0.35 0.00 0.00 0.00 179.25 179.08 1wxl h PHE 12 N 0.14 0.25 0.03 0.00 3.04 -1.94 -2.59 116.94 115.87 1wxl h PHE 12 Ca 0.59 -0.08 -0.00 0.00 3.98 0.00 0.00 57.97 62.47 1wxl h PHE 12 Cb 1.26 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 39.72 1wxl h PHE 12 CO -0.30 0.65 -0.01 0.52 -2.02 0.00 0.00 178.31 177.15 1wxl h MET 13 N 0.17 -0.04 -0.83 1.11 2.86 0.16 -0.37 114.93 117.98 1wxl h MET 13 Ca 0.01 0.00 0.24 0.00 -2.06 0.00 0.00 59.70 57.89 1wxl h MET 13 Cb 0.91 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.54 1wxl h MET 13 CO 0.07 -0.03 0.67 1.37 1.06 0.00 0.00 176.91 180.06 1wxl h LEU 14 N -0.62 0.00 0.12 1.22 -0.00 0.58 1.44 115.31 118.05 1wxl h LEU 14 Ca -0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.88 57.57 1wxl h LEU 14 Cb 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.68 1wxl h LEU 14 CO 0.01 0.00 -1.57 -0.25 -0.00 0.00 0.00 178.44 176.62 1wxl h TRP 15 N 0.00 0.45 0.00 0.17 7.01 -1.57 -3.24 115.95 118.77 1wxl h TRP 15 Ca 0.39 -0.33 0.00 0.00 2.11 0.00 0.00 58.89 61.06 1wxl h TRP 15 Cb 1.73 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 28.78 1wxl h TRP 15 CO 0.00 1.62 0.00 -0.11 -2.79 0.00 0.00 178.44 177.16 1wxl n LEU 16 N -3.83 0.18 -0.02 0.65 7.94 0.26 -0.39 117.00 121.80 1wxl n LEU 16 Ca -0.27 0.55 -0.11 0.00 -1.11 0.00 0.00 56.01 55.08 1wxl n LEU 16 Cb 0.94 -0.54 -0.09 0.00 0.53 0.00 0.00 43.42 44.26 1wxl n LEU 16 CO 0.41 -0.40 0.36 -1.13 -1.11 0.00 0.00 177.39 175.53 1wxl h ASN 17 N 0.00 -0.07 0.87 1.96 -0.73 0.18 5.26 115.58 123.06 1wxl h ASN 17 Ca 0.00 -0.56 -0.06 0.00 1.87 0.00 0.00 56.30 57.54 1wxl h ASN 17 Cb 0.23 0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.82 1wxl h ASN 17 CO 0.00 0.64 -0.30 -0.78 -0.37 0.00 0.00 177.43 176.62 1wxl h ASP 18 N -0.89 0.00 0.00 1.15 1.82 -1.51 -3.02 116.42 113.97 1wxl h ASP 18 Ca -0.01 0.00 -0.09 0.00 -0.39 0.00 0.00 57.03 56.54 1wxl h ASP 18 Cb 0.63 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.62 1wxl h ASP 18 CO 0.01 0.30 -1.96 0.41 -1.61 0.00 0.00 179.24 176.39 1wxl n THR 19 N -3.48 0.34 -0.23 2.25 -1.04 0.48 -4.17 114.28 108.43 1wxl n THR 19 Ca -0.00 -0.52 0.17 0.00 -2.04 0.00 0.00 64.05 61.66 1wxl n THR 19 Cb 0.47 -0.10 0.48 0.00 -1.82 0.00 0.00 70.33 69.36 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 0.45 -0.40 -2.82 2.43 1.08 2.03 114.38 117.16 1wxl h ARG 20 Ca -0.13 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 58.88 1wxl h ARG 20 Cb 1.21 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 1wxl h ARG 20 CO 0.01 0.30 -0.25 1.05 -1.51 0.00 0.00 179.97 179.57 1wxl h GLU 21 N 0.47 0.81 0.00 0.20 4.11 -1.72 -2.75 114.58 115.70 1wxl h GLU 21 Ca 0.45 -0.35 -0.06 0.00 0.07 0.00 0.00 59.36 59.47 1wxl h GLU 21 Cb 1.01 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 1wxl h GLU 21 CO -0.17 0.97 -0.31 0.77 0.07 0.00 0.00 179.01 180.34 1wxl h SER 22 N 0.70 0.00 -0.04 3.06 0.02 0.27 -2.91 113.55 114.65 1wxl h SER 22 Ca 0.09 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.80 1wxl h SER 22 Cb 0.78 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.34 1wxl h SER 22 CO 0.06 0.31 -0.92 0.40 -1.14 0.00 0.00 176.83 175.54 1wxl h ILE 23 N 0.00 1.30 0.00 3.27 2.04 0.81 -2.65 117.51 122.28 1wxl h ILE 23 Ca -0.00 -2.15 -0.07 0.00 1.00 0.00 0.00 64.86 63.64 1wxl h ILE 23 Cb 0.83 2.31 -0.01 0.00 -0.74 0.00 0.00 36.82 39.20 1wxl h ILE 23 CO 0.04 0.66 -0.32 0.50 0.00 0.00 0.00 178.15 179.03 1wxl h LYS 24 N 0.37 0.00 -0.02 2.37 1.63 -1.46 -1.15 116.57 118.32 1wxl h LYS 24 Ca -0.10 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.69 1wxl h LYS 24 Cb 1.57 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 33.20 1wxl h LYS 24 CO 0.18 0.32 -0.01 0.00 -3.45 0.00 0.00 179.45 176.50 1wxl h ARG 25 N 0.00 0.03 0.00 1.90 -0.00 -1.46 0.23 114.38 115.08 1wxl h ARG 25 Ca -0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.46 1wxl h ARG 25 Cb 0.77 -0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.74 1wxl h ARG 25 CO 0.04 0.43 0.00 -0.85 0.00 0.00 0.00 179.97 179.59 1wxl n GLU 26 N -4.87 0.13 -3.12 0.04 0.28 -1.01 -3.73 120.64 108.37 1wxl n GLU 26 Ca -0.08 0.43 -0.18 0.00 -0.16 0.00 0.00 57.16 57.17 1wxl n GLU 26 Cb 0.22 -1.79 -0.05 0.00 1.43 0.00 0.00 31.44 31.25 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 -2.05 -1.51 -2.03 -1.84 3.02 -0.45 -5.02 115.26 105.38 1wxl n ASN 27 Ca 0.02 -2.66 -0.07 0.00 -0.03 0.00 0.00 54.58 51.83 1wxl n ASN 27 Cb 0.17 0.34 -0.10 0.00 -0.61 0.00 0.00 39.78 39.59 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 2.57 1.29 -0.16 3.52 -0.04 0.75 -2.83 135.00 140.10 1wxl n PRO 28 Ca 0.23 -0.57 0.00 0.00 -0.04 0.00 0.00 63.50 63.13 1wxl n PRO 28 Cb 0.52 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 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 2.42 0.45 0.00 0.55 0.00 -1.26 -5.10 105.19 102.26 1wxl n GLY 29 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -3.72 -0.61 -5.35 -1.13 -5.13 119.36 103.42 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 0.23 0.00 -0.08 0.00 -1.74 0.00 0.00 39.64 38.05 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 1.75 0.77 0.41 6.28 -2.85 -1.26 -5.00 119.74 119.84 1wxl s LYS 31 Ca 0.00 -0.21 0.34 0.00 -1.00 0.00 0.00 55.97 55.10 1wxl s LYS 31 Cb 0.00 0.35 1.32 0.00 -2.06 0.00 0.00 37.83 37.44 1wxl s LYS 31 CO 0.00 -0.23 1.28 1.55 0.10 0.00 0.00 175.35 178.05 1wxl n VAL 32 N 1.02 -0.11 0.09 1.79 3.14 -1.26 0.21 118.33 123.21 1wxl n VAL 32 Ca -0.20 1.36 -0.01 0.00 -2.96 0.00 0.00 64.34 62.53 1wxl n VAL 32 Cb 0.57 -2.25 -0.04 0.00 -1.06 0.00 0.00 33.84 31.06 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 1.02 0.00 1.55 1.35 -2.00 -3.18 112.91 111.65 1wxl h THR 33 Ca 0.75 -2.52 -0.19 0.00 -0.55 0.00 0.00 66.41 63.90 1wxl h THR 33 Cb 2.70 2.47 -0.01 0.00 -1.73 0.00 0.00 68.15 71.57 1wxl h THR 33 CO -0.21 0.58 -0.85 -0.08 -0.25 0.00 0.00 175.52 174.71 1wxl h GLU 34 N 0.00 0.14 -0.44 4.72 4.81 0.21 -2.67 114.58 121.36 1wxl h GLU 34 Ca -0.05 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.00 1wxl h GLU 34 Cb 1.55 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.96 1wxl h GLU 34 CO 0.08 0.90 0.17 0.82 -0.73 0.00 0.00 179.01 180.26 1wxl h ILE 35 N 0.08 1.20 0.00 2.32 2.04 -1.46 0.31 117.51 122.01 1wxl h ILE 35 Ca -0.03 -0.63 -0.05 0.00 1.00 0.00 0.00 64.86 65.15 1wxl h ILE 35 Cb 1.47 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 1wxl h ILE 35 CO 0.12 0.23 -0.23 0.00 0.00 0.00 0.00 178.15 178.27 1wxl h ALA 36 N 1.02 1.12 0.00 1.87 0.00 -1.52 -1.83 119.26 119.92 1wxl h ALA 36 Ca 0.15 -0.21 -0.22 0.00 0.00 0.00 0.00 54.91 54.63 1wxl h ALA 36 Cb 0.19 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1wxl h ALA 36 CO -0.01 0.29 -1.37 1.17 0.00 0.00 0.00 179.25 179.33 1wxl n LYS 37 N -3.55 0.54 0.07 0.00 4.81 -0.98 -3.42 118.16 115.64 1wxl n LYS 37 Ca -0.01 0.47 0.08 0.00 -0.87 0.00 0.00 58.31 57.98 1wxl n LYS 37 Cb 0.38 -1.65 0.37 0.00 0.02 0.00 0.00 35.03 34.14 1wxl n LYS 37 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1wxl n LYS 38 N -4.43 0.09 -0.03 1.64 3.00 0.11 -2.44 118.16 116.09 1wxl n LYS 38 Ca -0.30 0.40 -0.21 0.00 -0.00 0.00 0.00 58.31 58.19 1wxl n LYS 38 Cb 0.63 -1.69 -0.13 0.00 0.00 0.00 0.00 35.03 33.83 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 1.70 0.18 0.05 3.14 0.00 -1.48 -3.34 103.07 103.32 1wxl h GLY 39 Ca 0.00 -0.46 0.16 0.00 0.00 0.00 0.00 47.33 47.03 1wxl h GLY 39 CO 0.00 0.41 0.33 -1.33 0.00 0.00 0.00 176.54 175.95 1wxl h GLY 40 N -0.02 1.26 0.48 4.60 0.00 -1.50 0.92 103.07 108.81 1wxl h GLY 40 Ca -0.35 -0.16 0.08 0.00 0.00 0.00 0.00 47.33 46.90 1wxl h GLY 40 CO -0.03 -0.14 0.26 1.05 0.00 0.00 0.00 176.54 177.68 1wxl h GLU 41 N 0.45 0.45 -0.03 4.80 4.11 -1.69 0.18 114.58 122.85 1wxl h GLU 41 Ca 0.46 -0.03 -0.21 0.00 0.07 0.00 0.00 59.36 59.65 1wxl h GLU 41 Cb 0.74 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 1wxl h GLU 41 CO -0.44 0.30 -0.85 0.00 0.07 0.00 0.00 179.01 178.09 1wxl h MET 42 N 0.47 0.38 0.62 1.06 -0.00 -1.01 -3.31 114.93 113.13 1wxl h MET 42 Ca 0.29 -0.37 -0.03 0.00 -0.00 0.00 0.00 59.70 59.60 1wxl h MET 42 Cb 0.32 0.09 0.01 0.00 -0.00 0.00 0.00 31.60 32.02 1wxl h MET 42 CO -0.26 1.03 -0.30 2.35 -0.00 0.00 0.00 176.91 179.73 1wxl h TRP 43 N 0.23 -0.77 -0.45 -0.10 2.91 0.17 -2.57 115.95 115.37 1wxl h TRP 43 Ca -0.06 -0.02 0.13 0.00 1.13 0.00 0.00 58.89 60.08 1wxl h TRP 43 Cb 1.46 0.26 -0.02 0.00 -0.51 0.00 0.00 29.16 30.35 1wxl h TRP 43 CO 0.05 -0.45 0.57 -0.22 -1.03 0.00 0.00 178.44 177.36 1wxl h LYS 44 N -0.92 0.00 -1.00 2.65 3.64 -0.78 0.11 116.57 120.27 1wxl h LYS 44 Ca -0.09 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.71 1wxl h LYS 44 Cb 0.67 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.09 1wxl h LYS 44 CO 0.14 0.00 -0.46 0.39 -2.27 0.00 0.00 179.45 177.25 1wxl n GLU 45 N -3.48 3.40 -4.45 1.90 -0.58 -0.99 -5.01 120.64 111.42 1wxl n GLU 45 Ca 0.08 -4.08 -0.20 0.00 -0.42 0.00 0.00 57.16 52.55 1wxl n GLU 45 Cb 0.75 -2.28 -0.14 0.00 -0.57 0.00 0.00 31.44 29.20 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 -3.65 2.08 -0.15 -4.62 2.34 0.02 -4.98 118.68 109.72 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 0.42 -0.59 0.47 0.00 -0.56 0.00 0.00 46.19 45.93 1wxl s LEU 46 CO -0.03 0.10 1.26 1.17 -1.06 0.00 0.00 176.35 177.78 1wxl n LYS 47 N 2.45 3.10 -0.00 1.48 0.00 -1.26 -3.28 118.16 120.65 1wxl n LYS 47 Ca -0.16 -1.82 0.07 0.00 0.00 0.00 0.00 58.31 56.41 1wxl n LYS 47 Cb 0.55 -1.92 -0.09 0.00 0.00 0.00 0.00 35.03 33.57 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 0.27 1.13 0.16 3.14 8.00 -1.26 -4.31 116.55 123.68 1wxl n ASP 48 Ca 0.18 -0.46 0.02 0.00 0.71 0.00 0.00 54.79 55.24 1wxl n ASP 48 Cb 0.84 1.29 0.20 0.00 -0.02 0.00 0.00 41.12 43.43 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 0.00 0.00 0.00 -1.24 3.11 -1.85 1.23 116.57 117.82 1wxl h LYS 49 Ca 0.00 0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 57.77 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 0.51 -0.32 1.03 -2.81 0.00 0.00 179.45 177.86 1wxl h SER 50 N 0.00 0.00 0.21 4.20 0.87 -1.78 1.50 113.55 118.55 1wxl h SER 50 Ca -0.01 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 1wxl h SER 50 Cb 1.11 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.07 1wxl h SER 50 CO 0.07 0.32 -1.81 1.17 -0.53 0.00 0.00 176.83 176.04 1wxl n LYS 51 N -3.49 0.65 -0.14 2.24 0.00 -0.85 -4.17 118.16 112.40 1wxl n LYS 51 Ca -0.00 -0.12 -0.25 0.00 0.00 0.00 0.00 58.31 57.94 1wxl n LYS 51 Cb 0.48 -1.59 -0.11 0.00 0.00 0.00 0.00 35.03 33.82 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 -2.38 0.00 -0.04 5.64 8.01 0.42 -4.22 117.44 124.87 1wxl n TRP 52 Ca -0.05 0.00 0.21 0.00 -1.31 0.00 0.00 57.50 56.36 1wxl n TRP 52 Cb 0.60 -1.00 0.69 0.00 -2.01 0.00 0.00 31.31 29.59 1wxl n TRP 52 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.69 177.73 1wxl h GLU 53 N -0.62 0.02 -0.10 -0.99 -0.00 0.19 0.50 114.58 113.57 1wxl h GLU 53 Ca -0.66 -0.00 -0.11 0.00 -0.00 0.00 0.00 59.36 58.59 1wxl h GLU 53 Cb 1.72 -0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.46 1wxl h GLU 53 CO -0.30 0.01 -0.44 0.22 -0.00 0.00 0.00 179.01 178.50 1wxl h ASP 54 N 0.02 0.24 -0.60 3.06 1.82 -1.72 -2.39 116.42 116.84 1wxl h ASP 54 Ca 0.29 -0.11 0.05 0.00 -0.39 0.00 0.00 57.03 56.87 1wxl h ASP 54 Cb 1.12 -0.07 -0.05 0.00 0.68 0.00 0.00 39.33 41.01 1wxl h ASP 54 CO -0.01 0.65 0.32 0.00 -1.61 0.00 0.00 179.24 178.60 1wxl h ALA 55 N 1.36 0.79 -0.02 -0.78 0.00 -0.17 0.26 119.26 120.70 1wxl h ALA 55 Ca 0.01 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1wxl h ALA 55 Cb 0.85 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 1wxl h ALA 55 CO 0.07 -0.01 -0.20 0.00 0.00 0.00 0.00 179.25 179.11 1wxl h ALA 56 N 1.32 -0.24 0.00 0.00 0.00 -1.28 1.32 119.26 120.37 1wxl h ALA 56 Ca 0.27 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1wxl h ALA 56 Cb 0.16 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1wxl h ALA 56 CO -0.17 -0.69 -0.13 0.00 0.00 0.00 0.00 179.25 178.26 1wxl h ALA 57 N 0.59 1.16 0.17 0.00 0.00 -1.23 0.76 119.26 120.71 1wxl h ALA 57 Ca 0.06 -0.12 -0.31 0.00 0.00 0.00 0.00 54.91 54.54 1wxl h ALA 57 Cb 0.40 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1wxl h ALA 57 CO -0.20 0.16 -1.47 1.57 0.00 0.00 0.00 179.25 179.31 1wxl h LYS 58 N 0.00 0.36 0.13 0.00 2.10 0.95 -3.14 116.57 116.97 1wxl h LYS 58 Ca -0.00 -0.62 -0.28 0.00 -2.00 0.00 0.00 60.65 57.75 1wxl h LYS 58 Cb 0.45 0.23 0.01 0.00 -0.90 0.00 0.00 32.23 32.02 1wxl h LYS 58 CO 0.02 1.27 -1.23 0.22 -2.00 0.00 0.00 179.45 177.72 1wxl h ASP 59 N 0.10 0.56 -0.65 7.07 1.82 0.20 -0.59 116.42 124.93 1wxl h ASP 59 Ca -0.23 -0.56 -0.05 0.00 -0.39 0.00 0.00 57.03 55.80 1wxl h ASP 59 Cb 2.06 -0.18 -0.03 0.00 0.68 0.00 0.00 39.33 41.86 1wxl h ASP 59 CO 0.21 1.42 0.24 0.07 -1.61 0.00 0.00 179.24 179.56 1wxl h LYS 60 N 0.13 1.02 -0.01 0.28 2.10 -0.99 0.34 116.57 119.44 1wxl h LYS 60 Ca -0.15 -0.19 -0.25 0.00 -2.00 0.00 0.00 60.65 58.06 1wxl h LYS 60 Cb 1.93 -0.16 0.01 0.00 -0.90 0.00 0.00 32.23 33.11 1wxl h LYS 60 CO 0.21 0.86 -0.98 1.96 -2.00 0.00 0.00 179.45 179.49 1wxl h GLN 61 N 0.99 0.57 0.00 0.07 4.20 -1.59 -1.56 115.11 117.79 1wxl h GLN 61 Ca 0.22 -0.60 0.00 0.00 0.06 0.00 0.00 58.65 58.33 1wxl h GLN 61 Cb 0.24 0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1wxl h GLN 61 CO -0.01 1.22 0.00 -0.09 -0.67 0.00 0.00 178.83 179.28 1wxl h ARG 62 N 0.32 0.00 0.00 1.46 2.43 -0.73 0.16 114.38 118.03 1wxl h ARG 62 Ca -0.10 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 58.98 1wxl h ARG 62 Cb 1.63 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.16 1wxl h ARG 62 CO 0.18 0.00 -0.56 -0.92 -1.51 0.00 0.00 179.97 177.17 1wxl h TYR 63 N 0.00 0.00 0.00 2.20 3.20 -0.25 -3.31 116.97 118.82 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 0.68 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.95 1wxl h TYR 63 CO 0.00 0.93 0.00 1.12 -1.64 0.00 0.00 178.16 178.57 1wxl h HIS 64 N -1.00 0.00 0.00 -3.82 2.07 -1.34 2.72 115.15 113.79 1wxl h HIS 64 Ca -0.14 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.38 1wxl h HIS 64 Cb 0.93 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.91 1wxl h HIS 64 CO 0.11 0.00 0.00 -0.25 -3.07 0.00 0.00 177.93 174.72 1wxl n ASP 65 N -3.07 0.00 0.00 3.10 8.00 0.57 -3.76 116.55 121.39 1wxl n ASP 65 Ca 0.00 0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.87 1wxl n ASP 65 Cb 0.28 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.94 1wxl n ASP 65 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1wxl n GLU 66 N -1.43 0.00 -0.16 -1.24 0.28 -0.85 -4.93 120.64 112.30 1wxl n GLU 66 Ca 0.04 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 57.12 1wxl n GLU 66 Cb 0.15 0.00 0.14 0.00 1.43 0.00 0.00 31.44 33.16 1wxl n GLU 66 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1wxl n MET 67 N -0.74 2.19 -0.34 3.44 2.81 0.79 -4.56 117.12 120.70 1wxl n MET 67 Ca 0.00 -2.38 0.09 0.00 -1.81 0.00 0.00 57.70 53.60 1wxl n MET 67 Cb 0.00 -1.46 0.20 0.00 -0.71 0.00 0.00 33.22 31.24 1wxl n MET 67 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 1wxl n ARG 68 N -0.82 -0.08 -0.13 0.03 1.85 0.53 -2.66 116.66 115.38 1wxl n ARG 68 Ca 0.14 1.49 -0.28 0.00 -1.00 0.00 0.00 57.85 58.20 1wxl n ARG 68 Cb 0.60 -2.28 -0.09 0.00 -1.05 0.00 0.00 32.46 29.64 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 -5.53 1.82 0.00 2.89 0.23 -1.26 -4.83 115.26 108.59 1wxl n ASN 69 Ca 0.18 0.32 0.00 0.00 -0.53 0.00 0.00 54.58 54.55 1wxl n ASN 69 Cb 0.59 -0.76 0.00 0.00 -2.08 0.00 0.00 39.78 37.53 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 -4.16 0.00 -3.53 -2.53 9.36 -1.09 -4.72 117.16 110.49 1wxl n TYR 70 Ca -0.51 0.00 -0.22 0.00 3.32 0.00 0.00 57.90 60.49 1wxl n TYR 70 Cb 0.86 0.00 0.05 0.00 -0.63 0.00 0.00 39.34 39.63 1wxl n TYR 70 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1wxl n LYS 71 N 0.00 -3.30 -0.02 2.98 4.76 -1.26 -4.93 118.16 116.38 1wxl n LYS 71 Ca 0.00 0.68 -0.16 0.00 -2.87 0.00 0.00 58.31 55.96 1wxl n LYS 71 Cb 0.00 -5.18 -0.10 0.00 -1.84 0.00 0.00 35.03 27.92 1wxl n LYS 71 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1wxl h PRO 72 N -1.64 0.38 0.00 1.97 0.13 -2.01 -3.49 132.00 127.35 1wxl h PRO 72 Ca -0.62 -0.34 0.00 0.00 -0.87 0.00 0.00 66.00 64.17 1wxl h PRO 72 Cb 1.34 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.55 1wxl h PRO 72 CO 0.50 0.99 0.07 0.39 -0.23 0.00 0.00 178.00 179.72 1wxl n GLU 73 N -4.34 0.22 0.00 0.86 1.02 -1.26 -5.33 120.64 111.80 1wxl n GLU 73 Ca -0.09 -0.44 0.00 0.00 -0.02 0.00 0.00 57.16 56.61 1wxl n GLU 73 Cb 0.57 0.56 0.00 0.00 -0.02 0.00 0.00 31.44 32.54 1wxl n GLU 73 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31