#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 -0.80 -3.39 0.66 -0.00 -1.26 -5.06 115.22 105.37 1wxl n HIS 3 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.72 57.52 1wxl n HIS 3 Cb 0.00 0.36 -0.09 0.00 -0.00 0.00 0.00 29.99 30.26 1wxl n HIS 3 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 1wxl s MET 4 N -1.71 0.58 -0.54 1.57 1.00 -1.26 -4.93 119.30 114.01 1wxl s MET 4 Ca 0.00 -0.91 -0.23 0.00 0.00 0.00 0.00 55.69 54.56 1wxl s MET 4 Cb 0.00 -0.86 -0.21 0.00 0.00 0.00 0.00 34.83 33.77 1wxl s MET 4 CO 0.00 -1.18 1.81 -2.30 0.00 0.00 0.00 175.02 173.35 1wxl n PRO 5 N 4.30 1.07 -0.55 2.03 -0.02 -1.26 -4.77 135.00 135.80 1wxl n PRO 5 Ca 0.10 -1.54 -0.10 0.00 -2.02 0.00 0.00 63.50 59.94 1wxl n PRO 5 Cb 0.43 -2.74 -0.06 0.00 -0.02 0.00 0.00 33.50 31.11 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 7.02 1.27 -1.32 -0.52 5.02 -1.26 -4.58 118.16 123.80 1wxl n LYS 6 Ca 0.47 -0.77 -0.00 0.00 -2.02 0.00 0.00 58.31 55.99 1wxl n LYS 6 Cb 0.38 -1.96 -0.00 0.00 -0.02 0.00 0.00 35.03 33.43 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 3.23 -1.43 -0.35 1.97 3.00 -1.26 -4.54 116.66 117.28 1wxl n ARG 7 Ca 0.27 0.00 0.05 0.00 -0.01 0.00 0.00 57.85 58.16 1wxl n ARG 7 Cb 0.35 -4.11 -0.01 0.00 0.00 0.00 0.00 32.46 28.69 1wxl n ARG 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1wxl n ALA 8 N -1.32 -0.92 -2.69 7.54 0.00 -1.26 -4.17 120.51 117.68 1wxl n ALA 8 Ca -0.00 0.13 -0.34 0.00 0.00 0.00 0.00 53.44 53.23 1wxl n ALA 8 Cb 0.11 -0.33 -0.12 0.00 0.00 0.00 0.00 19.45 19.11 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 -1.54 3.57 0.69 0.00 -4.23 -1.26 -4.90 115.64 107.97 1wxl s THR 9 Ca 0.00 -0.51 -0.17 0.00 -1.18 0.00 0.00 61.69 59.83 1wxl s THR 9 Cb 0.00 -2.48 0.01 0.00 1.34 0.00 0.00 72.50 71.38 1wxl s THR 9 CO 0.00 0.57 1.24 0.42 -0.54 0.00 0.00 174.62 176.31 1wxl s THR 10 N -0.46 2.23 0.31 3.99 -4.23 -1.26 -3.70 115.64 112.52 1wxl s THR 10 Ca 0.07 0.13 0.07 0.00 -1.18 0.00 0.00 61.69 60.77 1wxl s THR 10 Cb -0.12 -2.87 0.34 0.00 1.34 0.00 0.00 72.50 71.20 1wxl s THR 10 CO 0.02 -0.05 1.62 0.00 -0.54 0.00 0.00 174.62 175.68 1wxl h ALA 11 N 0.14 1.51 -0.18 3.99 0.00 -1.89 0.78 119.26 123.61 1wxl h ALA 11 Ca -0.49 0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.52 1wxl h ALA 11 Cb 1.31 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 1wxl h ALA 11 CO 0.51 -0.59 -0.54 0.35 0.00 0.00 0.00 179.25 178.99 1wxl h PHE 12 N 0.15 0.65 0.27 0.00 3.04 -1.95 -2.64 116.94 116.45 1wxl h PHE 12 Ca 0.64 -0.23 -0.01 0.00 3.98 0.00 0.00 57.97 62.35 1wxl h PHE 12 Cb 1.41 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 39.80 1wxl h PHE 12 CO -0.24 0.94 -0.13 0.52 -2.02 0.00 0.00 178.31 177.39 1wxl h MET 13 N 0.40 -0.35 -0.77 1.11 2.86 0.04 0.13 114.93 118.35 1wxl h MET 13 Ca 0.01 0.02 0.19 0.00 -2.06 0.00 0.00 59.70 57.87 1wxl h MET 13 Cb 1.07 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.76 1wxl h MET 13 CO 0.10 -0.15 0.53 1.37 1.06 0.00 0.00 176.91 179.83 1wxl h LEU 14 N -1.06 0.19 0.11 1.22 -0.00 -0.49 1.32 115.31 116.60 1wxl h LEU 14 Ca -0.04 0.02 -0.19 0.00 -0.00 0.00 0.00 57.88 57.67 1wxl h LEU 14 Cb 0.36 -0.02 0.01 0.00 -0.00 0.00 0.00 40.66 41.01 1wxl h LEU 14 CO 0.06 0.09 -0.91 -0.25 -0.00 0.00 0.00 178.44 177.43 1wxl h TRP 15 N 0.20 0.44 0.00 0.17 7.01 -1.52 -3.07 115.95 119.18 1wxl h TRP 15 Ca 0.38 -0.32 0.00 0.00 2.11 0.00 0.00 58.89 61.06 1wxl h TRP 15 Cb 1.20 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 28.24 1wxl h TRP 15 CO -0.00 1.35 0.00 -0.11 -2.79 0.00 0.00 178.44 176.89 1wxl n LEU 16 N -4.13 0.64 -0.00 0.65 7.94 0.45 0.22 117.00 122.77 1wxl n LEU 16 Ca -0.17 0.72 -0.12 0.00 -1.11 0.00 0.00 56.01 55.33 1wxl n LEU 16 Cb 0.80 -0.71 -0.09 0.00 0.53 0.00 0.00 43.42 43.95 1wxl n LEU 16 CO 0.44 -0.77 0.45 -1.13 -1.11 0.00 0.00 177.39 175.27 1wxl h ASN 17 N 0.00 -0.07 0.91 1.96 -0.73 0.17 5.55 115.58 123.37 1wxl h ASN 17 Ca 0.00 -0.55 -0.07 0.00 1.87 0.00 0.00 56.30 57.54 1wxl h ASN 17 Cb 0.19 0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.79 1wxl h ASN 17 CO 0.00 0.58 -0.34 -0.78 -0.37 0.00 0.00 177.43 176.52 1wxl h ASP 18 N -0.80 0.00 0.00 1.15 1.82 -1.32 -3.09 116.42 114.18 1wxl h ASP 18 Ca -0.01 0.00 -0.10 0.00 -0.39 0.00 0.00 57.03 56.53 1wxl h ASP 18 Cb 0.62 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.61 1wxl h ASP 18 CO 0.01 0.34 -1.98 0.41 -1.61 0.00 0.00 179.24 176.42 1wxl n THR 19 N -3.47 0.38 -0.23 2.25 -1.04 0.13 -4.11 114.28 108.19 1wxl n THR 19 Ca 0.00 -0.53 0.15 0.00 -2.04 0.00 0.00 64.05 61.63 1wxl n THR 19 Cb 0.50 -0.12 0.45 0.00 -1.82 0.00 0.00 70.33 69.34 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 0.51 -0.53 -2.82 2.43 1.14 2.13 114.38 117.24 1wxl h ARG 20 Ca -0.15 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 58.89 1wxl h ARG 20 Cb 1.25 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.67 1wxl h ARG 20 CO 0.01 0.34 -0.06 1.49 -1.51 0.00 0.00 179.97 180.23 1wxl h GLU 21 N 0.53 0.95 0.00 0.20 4.81 -1.71 -2.39 114.58 116.97 1wxl h GLU 21 Ca 0.43 -0.32 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1wxl h GLU 21 Cb 0.89 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.19 1wxl h GLU 21 CO -0.18 0.98 -0.05 1.03 -0.73 0.00 0.00 179.01 180.06 1wxl h SER 22 N 0.86 0.00 0.14 1.04 0.87 0.29 -2.90 113.55 113.86 1wxl h SER 22 Ca 0.15 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.48 1wxl h SER 22 Cb 0.60 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.57 1wxl h SER 22 CO 0.04 0.05 -1.08 0.40 -0.53 0.00 0.00 176.83 175.71 1wxl h ILE 23 N 0.00 1.33 0.00 2.23 2.04 0.77 -2.49 117.51 121.39 1wxl h ILE 23 Ca -0.00 -2.50 -0.07 0.00 1.00 0.00 0.00 64.86 63.29 1wxl h ILE 23 Cb 0.64 3.02 -0.01 0.00 -0.74 0.00 0.00 36.82 39.72 1wxl h ILE 23 CO 0.01 0.72 -0.33 0.50 0.00 0.00 0.00 178.15 179.05 1wxl h LYS 24 N -0.31 0.00 -0.24 2.37 1.63 -1.44 -0.32 116.57 118.25 1wxl h LYS 24 Ca -0.21 0.00 -0.18 0.00 -0.85 0.00 0.00 60.65 59.41 1wxl h LYS 24 Cb 1.72 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.36 1wxl h LYS 24 CO 0.13 0.33 -0.55 0.00 -3.45 0.00 0.00 179.45 175.90 1wxl h ARG 25 N 0.00 0.79 0.00 1.90 3.08 -1.60 0.25 114.38 118.80 1wxl h ARG 25 Ca -0.00 -0.54 0.00 0.00 0.07 0.00 0.00 59.98 59.51 1wxl h ARG 25 Cb 0.59 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.71 1wxl h ARG 25 CO 0.04 1.16 0.00 0.39 -1.07 0.00 0.00 179.97 180.49 1wxl n GLU 26 N -4.06 0.18 -2.88 0.04 1.02 -0.81 -3.86 120.64 110.26 1wxl n GLU 26 Ca -0.05 0.52 -0.08 0.00 -0.02 0.00 0.00 57.16 57.52 1wxl n GLU 26 Cb 0.63 -1.93 -0.01 0.00 -0.02 0.00 0.00 31.44 30.11 1wxl n GLU 26 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1wxl s ASN 27 N -4.22 -0.92 -0.02 1.62 0.01 -0.20 -5.04 114.94 106.18 1wxl s ASN 27 Ca 0.01 -1.97 -0.03 0.00 -0.71 0.00 0.00 52.86 50.16 1wxl s ASN 27 Cb 0.08 1.47 -0.14 0.00 0.41 0.00 0.00 41.25 43.07 1wxl s ASN 27 CO 0.32 -0.07 2.15 -0.81 -1.51 0.00 0.00 177.10 177.18 1wxl n PRO 28 N 2.94 1.07 -0.05 -0.60 -0.04 0.81 -2.51 135.00 136.63 1wxl n PRO 28 Ca 0.20 -0.54 0.00 0.00 -0.04 0.00 0.00 63.50 63.12 1wxl n PRO 28 Cb 0.54 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 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 2.76 0.48 0.00 0.55 0.00 -1.26 -5.09 105.19 102.62 1wxl n GLY 29 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -3.74 -0.61 -5.35 -1.04 -5.12 119.36 103.49 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 0.24 0.00 -0.08 0.00 -1.74 0.00 0.00 39.64 38.06 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 0.69 0.76 0.41 6.28 -0.14 -1.26 -5.00 119.74 121.48 1wxl s LYS 31 Ca 0.00 -0.33 0.34 0.00 -1.36 0.00 0.00 55.97 54.62 1wxl s LYS 31 Cb 0.00 0.33 1.33 0.00 -1.68 0.00 0.00 37.83 37.81 1wxl s LYS 31 CO 0.00 -0.23 1.29 1.55 -0.76 0.00 0.00 175.35 177.20 1wxl n VAL 32 N 0.90 -0.11 0.10 3.17 3.14 -1.26 0.21 118.33 124.48 1wxl n VAL 32 Ca -0.20 1.37 -0.01 0.00 -2.96 0.00 0.00 64.34 62.55 1wxl n VAL 32 Cb 0.58 -2.27 -0.03 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 1.05 0.00 1.55 1.35 -2.00 -3.23 112.91 111.63 1wxl h THR 33 Ca 0.75 -2.53 -0.20 0.00 -0.55 0.00 0.00 66.41 63.89 1wxl h THR 33 Cb 2.71 2.49 -0.01 0.00 -1.73 0.00 0.00 68.15 71.61 1wxl h THR 33 CO -0.21 0.60 -0.87 -0.08 -0.25 0.00 0.00 175.52 174.70 1wxl h GLU 34 N 0.00 0.19 -0.32 4.72 4.81 0.21 -2.72 114.58 121.47 1wxl h GLU 34 Ca -0.03 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 58.98 1wxl h GLU 34 Cb 1.53 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.95 1wxl h GLU 34 CO 0.08 0.95 0.15 0.82 -0.73 0.00 0.00 179.01 180.27 1wxl h ILE 35 N 0.10 1.16 0.00 2.32 2.04 -1.51 0.34 117.51 121.97 1wxl h ILE 35 Ca -0.04 -0.48 -0.06 0.00 1.00 0.00 0.00 64.86 65.28 1wxl h ILE 35 Cb 1.50 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 1wxl h ILE 35 CO 0.13 0.17 -0.28 0.00 0.00 0.00 0.00 178.15 178.18 1wxl h ALA 36 N 1.00 1.27 0.00 1.87 0.00 -1.57 -1.71 119.26 120.12 1wxl h ALA 36 Ca 0.11 -0.25 -0.22 0.00 0.00 0.00 0.00 54.91 54.55 1wxl h ALA 36 Cb 0.13 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1wxl h ALA 36 CO -0.01 0.35 -1.30 1.63 0.00 0.00 0.00 179.25 179.92 1wxl n LYS 37 N -3.81 0.55 0.00 0.00 4.76 -1.00 -3.31 118.16 115.36 1wxl n LYS 37 Ca -0.01 0.52 0.06 0.00 -2.87 0.00 0.00 58.31 56.01 1wxl n LYS 37 Cb 0.37 -1.70 0.29 0.00 -1.84 0.00 0.00 35.03 32.15 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 0.05 -0.05 1.97 -0.00 0.12 -2.54 118.16 113.26 1wxl n LYS 38 Ca -0.31 0.25 -0.22 0.00 -0.00 0.00 0.00 58.31 58.04 1wxl n LYS 38 Cb 0.64 -1.50 -0.13 0.00 -0.00 0.00 0.00 35.03 34.04 1wxl n LYS 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wxl n GLY 39 N -0.17 -0.60 0.37 2.58 0.00 -0.64 -3.97 105.19 102.76 1wxl n GLY 39 Ca 0.04 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.02 1wxl n GLY 39 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1wxl h GLY 40 N 0.47 1.21 1.00 -0.02 0.00 -1.48 0.78 103.07 105.04 1wxl h GLY 40 Ca -0.45 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 46.58 1wxl h GLY 40 CO -0.06 0.11 0.36 1.05 0.00 0.00 0.00 176.54 178.01 1wxl h GLU 41 N 0.73 0.73 0.00 4.80 4.11 -1.69 0.22 114.58 123.48 1wxl h GLU 41 Ca 0.44 -0.05 -0.20 0.00 0.07 0.00 0.00 59.36 59.62 1wxl h GLU 41 Cb 0.65 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1wxl h GLU 41 CO -0.20 0.50 -0.88 0.00 0.07 0.00 0.00 179.01 178.49 1wxl h MET 42 N 0.75 0.25 0.48 1.06 -0.00 -1.20 -3.26 114.93 113.01 1wxl h MET 42 Ca 0.20 -0.27 -0.02 0.00 -0.00 0.00 0.00 59.70 59.61 1wxl h MET 42 Cb -0.07 0.08 0.00 0.00 -0.00 0.00 0.00 31.60 31.61 1wxl h MET 42 CO -0.04 0.98 -0.23 2.35 -0.00 0.00 0.00 176.91 179.97 1wxl h TRP 43 N 0.14 -0.60 -1.05 -0.10 2.91 0.93 -2.84 115.95 115.34 1wxl h TRP 43 Ca -0.05 -0.01 0.28 0.00 1.13 0.00 0.00 58.89 60.23 1wxl h TRP 43 Cb 1.51 0.20 -0.10 0.00 -0.51 0.00 0.00 29.16 30.26 1wxl h TRP 43 CO 0.04 -0.28 0.67 0.87 -1.03 0.00 0.00 178.44 178.71 1wxl h LYS 44 N -0.98 0.39 -1.09 2.65 1.57 -0.69 0.31 116.57 118.73 1wxl h LYS 44 Ca -0.07 -0.02 -0.68 0.00 -1.87 0.00 0.00 60.65 58.01 1wxl h LYS 44 Cb 0.59 -0.09 -0.30 0.00 0.08 0.00 0.00 32.23 32.52 1wxl h LYS 44 CO 0.11 0.26 0.76 -0.85 -0.57 0.00 0.00 179.45 179.15 1wxl n GLU 45 N -4.68 2.77 -4.53 3.15 -0.00 -1.18 -4.93 120.64 111.24 1wxl n GLU 45 Ca 0.27 -3.39 -0.22 0.00 -0.00 0.00 0.00 57.16 53.82 1wxl n GLU 45 Cb 0.90 -2.29 -0.16 0.00 -0.00 0.00 0.00 31.44 29.90 1wxl n GLU 45 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1wxl s LEU 46 N -3.84 1.85 -0.21 -1.84 0.20 0.11 -4.97 118.68 110.00 1wxl s LEU 46 Ca 0.62 -0.24 0.08 0.00 0.69 0.00 0.00 54.13 55.29 1wxl s LEU 46 Cb 0.49 -0.68 0.54 0.00 -0.43 0.00 0.00 46.19 46.12 1wxl s LEU 46 CO -0.05 0.10 1.44 0.29 -0.29 0.00 0.00 176.35 177.84 1wxl n LYS 47 N 3.17 3.22 -0.12 1.98 4.76 -1.26 -3.39 118.16 126.53 1wxl n LYS 47 Ca -0.18 -2.16 0.07 0.00 -2.87 0.00 0.00 58.31 53.17 1wxl n LYS 47 Cb 0.54 -1.98 0.13 0.00 -1.84 0.00 0.00 35.03 31.88 1wxl n LYS 47 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1wxl n ASP 48 N 0.14 2.69 0.26 4.39 9.92 -1.26 -4.38 116.55 128.31 1wxl n ASP 48 Ca 0.25 -1.80 -0.14 0.00 -0.53 0.00 0.00 54.79 52.57 1wxl n ASP 48 Cb 1.02 -0.15 -0.07 0.00 -0.64 0.00 0.00 41.12 41.28 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 2.63 -0.67 -0.81 -1.24 3.64 -1.87 0.90 116.57 119.15 1wxl h LYS 49 Ca 0.00 0.05 0.20 0.00 -1.27 0.00 0.00 60.65 59.63 1wxl h LYS 49 Cb 0.69 0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 32.62 1wxl h LYS 49 CO 0.00 -0.36 0.56 0.77 -2.27 0.00 0.00 179.45 178.14 1wxl h SER 50 N -1.02 0.22 1.19 4.20 0.02 -1.85 5.79 113.55 122.10 1wxl h SER 50 Ca -0.07 0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 60.78 1wxl h SER 50 Cb 0.61 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 1wxl h SER 50 CO 0.12 0.10 -0.57 0.50 -1.14 0.00 0.00 176.83 175.83 1wxl h LYS 51 N 0.23 0.00 0.00 3.45 3.64 -1.61 -3.25 116.57 119.03 1wxl h LYS 51 Ca 0.40 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.46 1wxl h LYS 51 Cb 1.24 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.00 1wxl h LYS 51 CO -0.09 0.57 -2.22 0.91 -2.27 0.00 0.00 179.45 176.35 1wxl n TRP 52 N -3.35 0.00 -0.27 1.91 8.01 0.31 -4.51 117.44 119.53 1wxl n TRP 52 Ca 0.01 0.00 0.08 0.00 -1.31 0.00 0.00 57.50 56.28 1wxl n TRP 52 Cb 0.71 -0.82 0.22 0.00 -2.01 0.00 0.00 31.31 29.41 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 -0.09 0.22 -1.00 -0.99 5.08 1.13 0.39 114.58 119.32 1wxl h GLU 53 Ca -0.49 -0.01 0.19 0.00 -1.00 0.00 0.00 59.36 58.05 1wxl h GLU 53 Cb 1.71 -0.05 -0.10 0.00 0.50 0.00 0.00 28.75 30.81 1wxl h GLU 53 CO -0.10 0.14 0.61 0.38 -1.00 0.00 0.00 179.01 179.04 1wxl h ASP 54 N 0.22 0.78 -0.58 1.42 3.04 -1.69 0.88 116.42 120.49 1wxl h ASP 54 Ca 0.47 0.09 0.07 0.00 -3.24 0.00 0.00 57.03 54.42 1wxl h ASP 54 Cb 0.87 -0.05 -0.06 0.00 -1.04 0.00 0.00 39.33 39.05 1wxl h ASP 54 CO -0.59 0.28 0.26 0.00 -2.04 0.00 0.00 179.24 177.15 1wxl h ALA 55 N 1.64 0.74 0.43 4.15 0.00 -0.47 0.42 119.26 126.18 1wxl h ALA 55 Ca 0.57 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.51 1wxl h ALA 55 Cb 0.89 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1wxl h ALA 55 CO -0.37 -0.12 -0.21 0.00 0.00 0.00 0.00 179.25 178.56 1wxl h ALA 56 N 1.35 -0.58 -0.04 0.00 0.00 0.80 0.50 119.26 121.29 1wxl h ALA 56 Ca 0.27 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1wxl h ALA 56 Cb 0.25 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1wxl h ALA 56 CO -0.23 -0.68 -0.49 0.00 0.00 0.00 0.00 179.25 177.85 1wxl h ALA 57 N -0.47 1.11 0.10 0.00 0.00 -0.90 0.14 119.26 119.24 1wxl h ALA 57 Ca -0.06 -0.46 -0.27 0.00 0.00 0.00 0.00 54.91 54.13 1wxl h ALA 57 Cb 0.56 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1wxl h ALA 57 CO 0.10 0.63 -1.18 1.57 0.00 0.00 0.00 179.25 180.38 1wxl h LYS 58 N 0.08 0.35 0.06 0.00 2.10 -0.19 -2.99 116.57 115.98 1wxl h LYS 58 Ca 0.00 -0.51 -0.27 0.00 -2.00 0.00 0.00 60.65 57.86 1wxl h LYS 58 Cb 0.90 0.18 -0.02 0.00 -0.90 0.00 0.00 32.23 32.39 1wxl h LYS 58 CO 0.07 1.21 -1.41 0.22 -2.00 0.00 0.00 179.45 177.54 1wxl h ASP 59 N 0.13 0.18 -0.39 7.07 3.58 0.10 -2.38 116.42 124.71 1wxl h ASP 59 Ca -0.13 -0.26 -0.06 0.00 0.42 0.00 0.00 57.03 57.00 1wxl h ASP 59 Cb 1.87 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 42.85 1wxl h ASP 59 CO 0.20 1.21 0.00 0.50 -2.88 0.00 0.00 179.24 178.27 1wxl h LYS 60 N 0.03 0.69 -0.00 0.28 3.11 -0.83 0.44 116.57 120.30 1wxl h LYS 60 Ca -0.18 -0.22 -0.13 0.00 -2.81 0.00 0.00 60.65 57.31 1wxl h LYS 60 Cb 1.94 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 33.09 1wxl h LYS 60 CO 0.13 0.78 -0.61 0.37 -2.81 0.00 0.00 179.45 177.31 1wxl h GLN 61 N 0.52 0.01 0.00 1.90 4.15 -1.64 -1.30 115.11 118.74 1wxl h GLN 61 Ca 0.11 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.52 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 0.62 -0.52 -2.13 -1.93 0.00 0.00 178.83 174.89 1wxl n ARG 62 N -3.81 0.28 -0.04 1.69 0.63 -0.90 -1.35 116.66 113.16 1wxl n ARG 62 Ca -0.01 0.10 -0.21 0.00 -0.92 0.00 0.00 57.85 56.81 1wxl n ARG 62 Cb 0.61 -1.70 -0.13 0.00 0.45 0.00 0.00 32.46 31.70 1wxl n ARG 62 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 1wxl h TYR 63 N 0.00 0.25 0.00 -0.14 -1.99 0.07 -3.31 116.97 111.85 1wxl h TYR 63 Ca 0.00 -0.18 -0.07 0.00 2.00 0.00 0.00 58.73 60.48 1wxl h TYR 63 Cb 0.73 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.44 1wxl h TYR 63 CO 0.00 1.52 -0.34 1.12 -0.00 0.00 0.00 178.16 180.46 1wxl h HIS 64 N -0.57 0.00 0.00 4.88 2.07 -1.36 2.34 115.15 122.51 1wxl h HIS 64 Ca -0.31 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.21 1wxl h HIS 64 Cb 1.57 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.55 1wxl h HIS 64 CO 0.12 0.34 0.00 -0.25 -3.07 0.00 0.00 177.93 175.07 1wxl n ASP 65 N -3.45 0.00 0.00 3.10 9.92 -0.46 -3.21 116.55 122.45 1wxl n ASP 65 Ca 0.00 0.21 0.00 0.00 -0.53 0.00 0.00 54.79 54.47 1wxl n ASP 65 Cb 0.51 -0.28 0.00 0.00 -0.64 0.00 0.00 41.12 40.71 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 -1.28 0.00 -0.26 -1.24 0.28 -1.04 -4.93 120.64 112.17 1wxl n GLU 66 Ca 0.02 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 57.10 1wxl n GLU 66 Cb 0.04 0.00 0.19 0.00 1.43 0.00 0.00 31.44 33.10 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 -0.73 2.54 -0.30 3.44 2.81 0.74 -4.72 117.12 120.90 1wxl n MET 67 Ca 0.00 -2.49 0.02 0.00 -1.81 0.00 0.00 57.70 53.42 1wxl n MET 67 Cb 0.00 -1.57 0.10 0.00 -0.71 0.00 0.00 33.22 31.04 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 1.24 -0.01 -0.87 0.03 0.11 0.08 1.08 114.38 116.05 1wxl h ARG 68 Ca 0.00 0.00 -0.28 0.00 0.10 0.00 0.00 59.98 59.80 1wxl h ARG 68 Cb 1.11 0.00 -0.16 0.00 1.11 0.00 0.00 29.97 32.03 1wxl h ARG 68 CO 0.11 -0.01 0.35 0.27 0.10 0.00 0.00 179.97 180.79 1wxl n ASN 69 N -5.54 4.14 -3.36 0.08 0.23 -1.26 -4.80 115.26 104.75 1wxl n ASN 69 Ca 0.12 -3.14 -0.43 0.00 -0.53 0.00 0.00 54.58 50.60 1wxl n ASN 69 Cb 0.42 -0.74 -0.05 0.00 -2.08 0.00 0.00 39.78 37.33 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 -0.37 0.32 -3.53 -2.53 4.11 0.37 -4.89 117.16 110.65 1wxl n TYR 70 Ca 0.40 0.78 -0.41 0.00 -0.00 0.00 0.00 57.90 58.68 1wxl n TYR 70 Cb 1.33 -1.55 -0.05 0.00 -0.00 0.00 0.00 39.34 39.07 1wxl n TYR 70 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 1wxl s LYS 71 N -0.14 3.31 0.25 -3.48 -0.14 -1.26 -4.89 119.74 113.39 1wxl s LYS 71 Ca 0.64 -2.82 0.05 0.00 -1.36 0.00 0.00 55.97 52.47 1wxl s LYS 71 Cb -0.90 -4.12 0.32 0.00 -1.68 0.00 0.00 37.83 31.44 1wxl s LYS 71 CO 0.43 -1.24 1.61 -1.00 -0.76 0.00 0.00 175.35 174.38 1wxl h PRO 72 N 6.91 0.27 -0.18 -1.68 0.13 -1.91 -3.02 132.00 132.52 1wxl h PRO 72 Ca 0.10 -0.16 -0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1wxl h PRO 72 Cb 0.93 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 1wxl h PRO 72 CO 0.81 0.73 0.09 0.93 -0.23 0.00 0.00 178.00 180.33 1wxl h GLU 73 N 0.21 0.24 0.00 0.86 5.08 -1.99 -3.52 114.58 115.46 1wxl h GLU 73 Ca 0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1wxl h GLU 73 Cb 0.99 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1wxl h GLU 73 CO 0.08 0.18 0.00 0.00 -1.00 0.00 0.00 179.01 178.27