#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 -1.73 -2.66 1.43 1.44 -1.26 -4.73 115.22 107.71 1wxl n HIS 3 Ca 0.00 0.04 -0.04 0.00 -2.01 0.00 0.00 57.72 55.71 1wxl n HIS 3 Cb 0.00 -1.83 0.07 0.00 0.12 0.00 0.00 29.99 28.35 1wxl n HIS 3 CO 0.00 0.00 0.00 -0.12 -2.81 0.00 0.00 176.34 173.41 1wxl n MET 4 N -2.72 0.08 -2.35 -1.40 0.00 -1.26 -5.13 117.12 104.34 1wxl n MET 4 Ca -0.06 -0.64 -0.43 0.00 -0.00 0.00 0.00 57.70 56.57 1wxl n MET 4 Cb 0.55 -0.06 -0.02 0.00 0.00 0.00 0.00 33.22 33.68 1wxl n MET 4 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1wxl s PRO 5 N 0.28 3.87 0.00 2.12 0.04 -1.26 -4.86 135.00 135.19 1wxl s PRO 5 Ca 0.25 1.34 0.09 0.00 0.04 0.00 0.00 61.00 62.72 1wxl s PRO 5 Cb 0.19 -3.92 0.54 0.00 0.04 0.00 0.00 34.50 31.35 1wxl s PRO 5 CO -0.08 -1.18 0.96 0.36 0.04 0.00 0.00 177.00 177.10 1wxl n LYS 6 N 7.42 0.35 0.00 4.56 0.00 -1.26 -4.81 118.16 124.43 1wxl n LYS 6 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.47 1wxl n LYS 6 Cb 0.46 -1.40 0.00 0.00 -0.00 0.00 0.00 35.03 34.09 1wxl n LYS 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1wxl n ARG 7 N -0.90 0.00 -2.42 -1.58 1.74 -1.26 -4.82 116.66 107.41 1wxl n ARG 7 Ca 0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1wxl n ARG 7 Cb 0.03 -0.19 0.00 0.00 -1.02 0.00 0.00 32.46 31.28 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 0.00 0.00 -2.35 7.54 0.00 -1.26 -3.02 120.51 121.41 1wxl n ALA 8 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1wxl n ALA 8 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 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 -3.14 2.19 0.57 0.00 2.01 -1.26 -4.98 115.64 111.02 1wxl s THR 9 Ca 0.00 -1.33 -0.17 0.00 0.31 0.00 0.00 61.69 60.50 1wxl s THR 9 Cb 0.00 -1.84 -0.05 0.00 0.01 0.00 0.00 72.50 70.62 1wxl s THR 9 CO 0.00 0.40 1.06 0.42 -0.69 0.00 0.00 174.62 175.81 1wxl s THR 10 N -0.79 3.69 0.27 -0.82 -4.23 -1.26 -4.03 115.64 108.47 1wxl s THR 10 Ca 0.12 0.88 -0.01 0.00 -1.18 0.00 0.00 61.69 61.50 1wxl s THR 10 Cb -0.10 -3.36 0.31 0.00 1.34 0.00 0.00 72.50 70.68 1wxl s THR 10 CO 0.02 -0.39 1.64 0.00 -0.54 0.00 0.00 174.62 175.34 1wxl h ALA 11 N 0.76 1.08 -0.10 3.99 0.00 -1.87 1.11 119.26 124.23 1wxl h ALA 11 Ca -0.48 0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 1wxl h ALA 11 Cb 1.23 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 1wxl h ALA 11 CO 0.57 -0.46 -0.35 0.35 0.00 0.00 0.00 179.25 179.37 1wxl h PHE 12 N 0.15 0.22 0.00 0.00 3.57 -1.93 -2.55 116.94 116.40 1wxl h PHE 12 Ca 0.50 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.95 1wxl h PHE 12 Cb 0.97 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.66 1wxl h PHE 12 CO -0.35 0.52 -0.06 0.52 -2.23 0.00 0.00 178.31 176.71 1wxl h MET 13 N 0.17 0.00 -0.85 1.11 2.86 0.50 -2.17 114.93 116.55 1wxl h MET 13 Ca 0.02 0.00 0.24 0.00 -2.06 0.00 0.00 59.70 57.90 1wxl h MET 13 Cb 0.70 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.32 1wxl h MET 13 CO 0.05 0.00 0.61 1.37 1.06 0.00 0.00 176.91 180.00 1wxl h LEU 14 N -0.74 0.06 0.20 1.22 -0.00 0.49 0.39 115.31 116.92 1wxl h LEU 14 Ca 0.00 0.01 -0.30 0.00 -0.00 0.00 0.00 57.88 57.59 1wxl h LEU 14 Cb 0.06 -0.00 0.03 0.00 -0.00 0.00 0.00 40.66 40.74 1wxl h LEU 14 CO 0.00 0.02 -1.36 -0.25 -0.00 0.00 0.00 178.44 176.85 1wxl h TRP 15 N 0.05 0.78 0.00 0.17 7.01 -1.59 -3.06 115.95 119.31 1wxl h TRP 15 Ca 0.41 -0.57 0.00 0.00 2.11 0.00 0.00 58.89 60.85 1wxl h TRP 15 Cb 1.56 -0.03 0.00 0.00 -2.10 0.00 0.00 29.16 28.59 1wxl h TRP 15 CO -0.00 1.52 0.00 1.25 -2.79 0.00 0.00 178.44 178.42 1wxl h LEU 16 N -0.04 0.00 0.08 0.65 5.85 -0.17 0.96 115.31 122.64 1wxl h LEU 16 Ca -0.25 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 1wxl h LEU 16 Cb 1.99 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.02 1wxl h LEU 16 CO 0.21 0.00 -0.04 -1.13 -0.34 0.00 0.00 178.44 177.14 1wxl h ASN 17 N 0.00 -0.09 0.88 1.25 -0.73 -0.29 5.03 115.58 121.63 1wxl h ASN 17 Ca 0.00 -0.52 -0.10 0.00 1.87 0.00 0.00 56.30 57.55 1wxl h ASN 17 Cb 0.14 0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.74 1wxl h ASN 17 CO 0.00 0.55 -0.47 0.44 -0.37 0.00 0.00 177.43 177.58 1wxl h ASP 18 N -0.80 0.00 0.00 1.15 5.19 -1.28 -3.14 116.42 117.55 1wxl h ASP 18 Ca -0.01 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.36 1wxl h ASP 18 Cb 0.60 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.10 1wxl h ASP 18 CO 0.02 0.47 -1.92 0.41 -3.12 0.00 0.00 179.24 175.09 1wxl n THR 19 N -3.54 0.15 -0.25 0.35 -1.04 0.33 -4.02 114.28 106.25 1wxl n THR 19 Ca -0.00 -0.48 0.10 0.00 -2.04 0.00 0.00 64.05 61.63 1wxl n THR 19 Cb 0.58 -0.01 0.36 0.00 -1.82 0.00 0.00 70.33 69.43 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 -0.71 -2.82 2.43 1.01 1.71 114.38 116.73 1wxl h ARG 20 Ca -0.06 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.00 1wxl h ARG 20 Cb 1.03 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.39 1wxl h ARG 20 CO 0.00 0.48 0.16 1.49 -1.51 0.00 0.00 179.97 180.59 1wxl h GLU 21 N 0.74 1.14 0.00 0.20 4.57 -1.70 -1.77 114.58 117.76 1wxl h GLU 21 Ca 0.41 -0.28 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1wxl h GLU 21 Cb 0.55 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 1wxl h GLU 21 CO -0.17 1.01 0.00 0.77 -1.18 0.00 0.00 179.01 179.43 1wxl h SER 22 N 1.08 0.00 0.08 1.04 0.02 0.21 -2.87 113.55 113.10 1wxl h SER 22 Ca 0.22 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.95 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 0.00 0.00 -1.14 0.40 -1.14 0.00 0.00 176.83 174.95 1wxl h ILE 23 N 0.00 1.15 -0.04 3.27 2.04 0.10 -2.58 117.51 121.46 1wxl h ILE 23 Ca 0.00 -2.36 -0.07 0.00 1.00 0.00 0.00 64.86 63.43 1wxl h ILE 23 Cb 0.38 2.75 -0.01 0.00 -0.74 0.00 0.00 36.82 39.20 1wxl h ILE 23 CO 0.00 0.62 -0.30 0.50 0.00 0.00 0.00 178.15 178.97 1wxl h LYS 24 N -0.54 0.07 -0.09 2.37 1.63 -1.39 0.03 116.57 118.65 1wxl h LYS 24 Ca -0.26 -0.02 -0.20 0.00 -0.85 0.00 0.00 60.65 59.32 1wxl h LYS 24 Cb 1.56 -0.01 0.01 0.00 -0.60 0.00 0.00 32.23 33.20 1wxl h LYS 24 CO 0.01 0.37 -0.72 0.07 -3.45 0.00 0.00 179.45 175.73 1wxl h ARG 25 N 0.06 0.65 0.00 1.90 0.11 -1.64 0.52 114.38 115.98 1wxl h ARG 25 Ca 0.01 -0.58 0.00 0.00 0.10 0.00 0.00 59.98 59.51 1wxl h ARG 25 Cb 0.57 0.13 0.00 0.00 1.11 0.00 0.00 29.97 31.78 1wxl h ARG 25 CO 0.04 1.19 0.00 0.39 0.10 0.00 0.00 179.97 181.69 1wxl n GLU 26 N -4.05 0.14 -2.83 0.08 -0.58 -0.90 -3.64 120.64 108.86 1wxl n GLU 26 Ca -0.09 0.51 -0.08 0.00 -0.42 0.00 0.00 57.16 57.08 1wxl n GLU 26 Cb 0.72 -1.85 0.01 0.00 -0.57 0.00 0.00 31.44 29.74 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 -2.13 -2.86 -2.35 1.62 3.02 -0.05 -5.04 115.26 107.47 1wxl n ASN 27 Ca 0.00 -2.98 -0.05 0.00 -0.03 0.00 0.00 54.58 51.52 1wxl n ASN 27 Cb 0.12 1.47 -0.06 0.00 -0.61 0.00 0.00 39.78 40.70 1wxl n ASN 27 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1wxl n PRO 28 N 2.45 0.74 -0.02 3.52 -0.02 0.18 -2.22 135.00 139.62 1wxl n PRO 28 Ca 0.16 -0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.26 1wxl n PRO 28 Cb 0.57 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 1wxl n PRO 28 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wxl n GLY 29 N 2.86 0.51 0.00 -1.23 0.00 -1.26 -5.08 105.19 100.99 1wxl n GLY 29 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -3.80 -0.61 -5.35 -0.94 -5.11 119.36 103.54 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 0.26 0.00 -0.09 0.00 -1.74 0.00 0.00 39.64 38.06 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 0.44 0.55 0.31 6.28 -2.85 -1.26 -5.00 119.74 118.21 1wxl s LYS 31 Ca 0.00 -0.18 0.22 0.00 -1.00 0.00 0.00 55.97 55.01 1wxl s LYS 31 Cb 0.00 0.24 1.05 0.00 -2.06 0.00 0.00 37.83 37.06 1wxl s LYS 31 CO 0.00 -0.14 1.12 1.55 0.10 0.00 0.00 175.35 177.98 1wxl n VAL 32 N 1.59 -0.20 0.15 1.79 3.14 -1.26 0.25 118.33 123.79 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 -2.15 0.06 0.00 -1.06 0.00 0.00 33.84 31.25 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 0.22 -0.02 1.55 1.35 -2.00 -3.28 112.91 110.73 1wxl h THR 33 Ca 0.63 -1.35 -0.18 0.00 -0.55 0.00 0.00 66.41 64.96 1wxl h THR 33 Cb 1.96 1.94 -0.01 0.00 -1.73 0.00 0.00 68.15 70.31 1wxl h THR 33 CO -0.37 0.13 -0.80 -0.08 -0.25 0.00 0.00 175.52 174.15 1wxl h GLU 34 N 0.00 0.20 -0.17 4.72 4.81 0.29 -2.67 114.58 121.75 1wxl h GLU 34 Ca -0.02 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 1wxl h GLU 34 Cb 1.14 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 1wxl h GLU 34 CO 0.02 0.89 0.08 0.82 -0.73 0.00 0.00 179.01 180.09 1wxl h ILE 35 N 0.12 1.14 0.00 2.32 2.04 -1.52 0.37 117.51 121.98 1wxl h ILE 35 Ca -0.03 -0.40 -0.05 0.00 1.00 0.00 0.00 64.86 65.38 1wxl h ILE 35 Cb 1.39 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 1wxl h ILE 35 CO 0.12 0.13 -0.22 0.00 0.00 0.00 0.00 178.15 178.18 1wxl h ALA 36 N 0.94 1.22 0.00 1.87 0.00 -1.61 -1.14 119.26 120.54 1wxl h ALA 36 Ca 0.06 -0.20 -0.24 0.00 0.00 0.00 0.00 54.91 54.53 1wxl h ALA 36 Cb 0.13 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1wxl h ALA 36 CO -0.01 0.27 -1.45 1.63 0.00 0.00 0.00 179.25 179.69 1wxl n LYS 37 N -3.66 0.55 0.00 0.00 4.76 -1.01 -3.71 118.16 115.09 1wxl n LYS 37 Ca -0.01 0.46 0.11 0.00 -2.87 0.00 0.00 58.31 56.00 1wxl n LYS 37 Cb 0.34 -1.65 0.62 0.00 -1.84 0.00 0.00 35.03 32.50 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 -4.42 0.56 -0.03 1.97 -0.00 0.13 -2.59 118.16 113.78 1wxl n LYS 38 Ca -0.33 0.03 -0.22 0.00 -0.00 0.00 0.00 58.31 57.80 1wxl n LYS 38 Cb 0.66 -1.50 -0.13 0.00 -0.00 0.00 0.00 35.03 34.06 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 0.44 -0.64 0.37 2.58 0.00 -0.43 -3.90 105.19 103.62 1wxl n GLY 39 Ca 0.14 -0.16 0.03 0.00 0.00 0.00 0.00 46.02 46.03 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 0.45 1.48 0.52 -0.02 0.00 -1.58 0.74 103.07 104.67 1wxl h GLY 40 Ca -0.41 -0.46 0.06 0.00 0.00 0.00 0.00 47.33 46.52 1wxl h GLY 40 CO -0.01 0.33 0.12 1.05 0.00 0.00 0.00 176.54 178.03 1wxl h GLU 41 N 1.14 0.27 -0.08 4.80 4.11 -1.69 0.16 114.58 123.30 1wxl h GLU 41 Ca 0.42 -0.02 -0.22 0.00 0.07 0.00 0.00 59.36 59.61 1wxl h GLU 41 Cb 0.18 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.38 1wxl h GLU 41 CO -0.17 0.18 -0.85 0.00 0.07 0.00 0.00 179.01 178.24 1wxl h MET 42 N 0.27 0.61 -0.22 1.06 -0.00 -1.41 -3.29 114.93 111.96 1wxl h MET 42 Ca 0.21 -0.56 0.01 0.00 -0.00 0.00 0.00 59.70 59.36 1wxl h MET 42 Cb 0.24 0.13 -0.01 0.00 -0.00 0.00 0.00 31.60 31.96 1wxl h MET 42 CO -0.25 1.17 0.13 2.35 -0.00 0.00 0.00 176.91 180.32 1wxl h TRP 43 N 0.39 0.25 -0.98 -0.10 2.91 0.11 -2.98 115.95 115.55 1wxl h TRP 43 Ca -0.07 0.01 0.17 0.00 1.13 0.00 0.00 58.89 60.13 1wxl h TRP 43 Cb 1.47 -0.08 -0.17 0.00 -0.51 0.00 0.00 29.16 29.87 1wxl h TRP 43 CO 0.07 0.15 -0.33 0.87 -1.03 0.00 0.00 178.44 178.18 1wxl h LYS 44 N 0.27 -0.01 -2.04 2.65 6.56 -0.77 0.14 116.57 123.37 1wxl h LYS 44 Ca 0.08 0.00 -0.76 0.00 -1.06 0.00 0.00 60.65 58.92 1wxl h LYS 44 Cb -0.02 0.00 -0.29 0.00 -0.57 0.00 0.00 32.23 31.35 1wxl h LYS 44 CO -0.03 -0.00 0.80 0.39 -2.06 0.00 0.00 179.45 178.55 1wxl n GLU 45 N -5.53 3.64 -4.34 3.15 -0.58 -1.13 -4.98 120.64 110.86 1wxl n GLU 45 Ca 0.12 -4.02 -0.34 0.00 -0.42 0.00 0.00 57.16 52.49 1wxl n GLU 45 Cb 0.44 -2.33 -0.10 0.00 -0.57 0.00 0.00 31.44 28.88 1wxl n GLU 45 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1wxl s LEU 46 N -4.07 3.49 0.00 -4.62 2.96 0.48 -4.98 118.68 111.93 1wxl s LEU 46 Ca 0.48 0.05 0.25 0.00 -0.22 0.00 0.00 54.13 54.68 1wxl s LEU 46 Cb 0.35 -1.82 0.43 0.00 0.50 0.00 0.00 46.19 45.66 1wxl s LEU 46 CO -0.30 0.29 1.37 1.17 -1.32 0.00 0.00 176.35 177.56 1wxl n LYS 47 N 2.75 1.30 -0.00 1.98 3.00 -1.26 -3.08 118.16 122.85 1wxl n LYS 47 Ca -0.18 -0.95 0.13 0.00 -0.00 0.00 0.00 58.31 57.31 1wxl n LYS 47 Cb 0.53 -1.48 0.26 0.00 0.00 0.00 0.00 35.03 34.34 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 -0.02 2.44 0.09 3.14 2.03 -1.26 -3.86 116.55 119.11 1wxl n ASP 48 Ca 0.12 -1.81 -0.01 0.00 0.52 0.00 0.00 54.79 53.61 1wxl n ASP 48 Cb 0.43 -0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.79 1wxl n ASP 48 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1wxl h LYS 49 N 3.82 0.00 0.00 -0.67 3.64 -1.88 0.72 116.57 122.21 1wxl h LYS 49 Ca 0.00 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 1wxl h LYS 49 Cb 0.81 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 1wxl h LYS 49 CO 0.00 0.56 -0.48 1.03 -2.27 0.00 0.00 179.45 178.29 1wxl h SER 50 N 0.00 0.00 0.31 4.20 0.87 -1.74 1.09 113.55 118.28 1wxl h SER 50 Ca -0.05 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.33 1wxl h SER 50 Cb 1.54 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.47 1wxl h SER 50 CO 0.08 0.48 -1.86 2.29 -0.53 0.00 0.00 176.83 177.29 1wxl n LYS 51 N -3.75 0.65 -0.04 2.24 2.85 -1.17 -3.95 118.16 114.99 1wxl n LYS 51 Ca -0.01 0.04 -0.21 0.00 -1.05 0.00 0.00 58.31 57.08 1wxl n LYS 51 Cb 0.54 -1.64 -0.13 0.00 -0.65 0.00 0.00 35.03 33.14 1wxl n LYS 51 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 1wxl n TRP 52 N -2.68 0.94 0.21 5.58 5.03 0.25 -3.87 117.44 122.90 1wxl n TRP 52 Ca -0.15 0.23 0.13 0.00 3.03 0.00 0.00 57.50 60.74 1wxl n TRP 52 Cb 0.86 -1.12 0.73 0.00 -1.03 0.00 0.00 31.31 30.75 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 -0.13 0.00 0.00 -0.99 -0.00 0.11 0.41 114.58 113.98 1wxl h GLU 53 Ca -0.46 0.00 -0.08 0.00 -0.00 0.00 0.00 59.36 58.83 1wxl h GLU 53 Cb 1.90 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.64 1wxl h GLU 53 CO -0.01 0.00 -0.36 0.22 -0.00 0.00 0.00 179.01 178.86 1wxl h ASP 54 N 0.00 0.00 -0.81 3.06 1.82 -1.69 -2.13 116.42 116.67 1wxl h ASP 54 Ca 0.06 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.67 1wxl h ASP 54 Cb 0.28 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.25 1wxl h ASP 54 CO -0.00 0.36 0.37 0.00 -1.61 0.00 0.00 179.24 178.36 1wxl h ALA 55 N 1.64 1.05 -0.54 -0.78 0.00 -0.28 0.42 119.26 120.77 1wxl h ALA 55 Ca -0.00 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1wxl h ALA 55 Cb 0.78 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1wxl h ALA 55 CO 0.05 0.62 0.34 0.00 0.00 0.00 0.00 179.25 180.26 1wxl h ALA 56 N 1.20 0.68 0.00 0.00 0.00 -1.26 1.33 119.26 121.21 1wxl h ALA 56 Ca 0.28 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1wxl h ALA 56 Cb 0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1wxl h ALA 56 CO -0.03 0.08 -0.21 0.00 0.00 0.00 0.00 179.25 179.09 1wxl h ALA 57 N 1.22 0.86 0.13 0.00 0.00 -1.20 -2.07 119.26 118.20 1wxl h ALA 57 Ca 0.21 -0.19 -0.32 0.00 0.00 0.00 0.00 54.91 54.60 1wxl h ALA 57 Cb -0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1wxl h ALA 57 CO -0.07 0.26 -1.65 1.57 0.00 0.00 0.00 179.25 179.37 1wxl h LYS 58 N 0.00 0.28 0.00 0.00 2.10 0.30 -3.24 116.57 116.01 1wxl h LYS 58 Ca -0.00 -0.48 -0.11 0.00 -2.00 0.00 0.00 60.65 58.06 1wxl h LYS 58 Cb 1.15 0.18 -0.02 0.00 -0.90 0.00 0.00 32.23 32.65 1wxl h LYS 58 CO 0.03 1.23 -0.50 0.22 -2.00 0.00 0.00 179.45 178.43 1wxl h ASP 59 N -0.13 0.00 0.23 7.07 3.58 0.16 0.14 116.42 127.47 1wxl h ASP 59 Ca -0.35 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.05 1wxl h ASP 59 Cb 1.90 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.94 1wxl h ASP 59 CO 0.09 0.50 -0.25 0.50 -2.88 0.00 0.00 179.24 177.20 1wxl h LYS 60 N 0.00 0.04 0.00 0.28 3.11 -1.45 0.43 116.57 118.97 1wxl h LYS 60 Ca -0.01 -0.01 -0.24 0.00 -2.81 0.00 0.00 60.65 57.59 1wxl h LYS 60 Cb 0.93 -0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 32.11 1wxl h LYS 60 CO 0.07 0.29 -1.73 1.04 -2.81 0.00 0.00 179.45 176.31 1wxl n GLN 61 N -4.23 0.64 0.05 1.90 1.13 -0.83 -2.53 117.38 113.50 1wxl n GLN 61 Ca -0.02 0.18 -0.00 0.00 -1.94 0.00 0.00 57.00 55.22 1wxl n GLN 61 Cb 0.31 -1.73 -0.07 0.00 0.11 0.00 0.00 30.24 28.86 1wxl n GLN 61 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1wxl h ARG 62 N 0.00 0.00 0.02 -1.09 2.43 -0.57 -2.49 114.38 112.68 1wxl h ARG 62 Ca -0.27 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 58.82 1wxl h ARG 62 Cb 1.82 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.36 1wxl h ARG 62 CO 0.05 0.37 -0.43 -0.92 -1.51 0.00 0.00 179.97 177.53 1wxl h TYR 63 N 0.00 0.08 0.00 2.20 5.03 -0.31 -3.17 116.97 120.81 1wxl h TYR 63 Ca -0.14 -0.06 -0.07 0.00 2.58 0.00 0.00 58.73 61.05 1wxl h TYR 63 Cb 1.58 -0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.85 1wxl h TYR 63 CO 0.00 1.17 -0.31 1.12 -1.32 0.00 0.00 178.16 178.82 1wxl h HIS 64 N -0.89 0.00 0.00 -3.82 2.07 -1.40 2.12 115.15 113.23 1wxl h HIS 64 Ca -0.11 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.41 1wxl h HIS 64 Cb 1.18 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.16 1wxl h HIS 64 CO 0.22 0.31 0.00 -3.47 -3.07 0.00 0.00 177.93 171.93 1wxl n ASP 65 N -3.61 0.16 0.00 3.10 2.03 -0.94 -0.66 116.55 116.64 1wxl n ASP 65 Ca -0.01 0.52 0.00 0.00 0.52 0.00 0.00 54.79 55.83 1wxl n ASP 65 Cb 0.44 -0.56 0.00 0.00 -0.72 0.00 0.00 41.12 40.27 1wxl n ASP 65 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1wxl n GLU 66 N -1.66 0.00 0.02 -0.67 -0.58 -0.90 -4.27 120.64 112.58 1wxl n GLU 66 Ca 0.05 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.61 1wxl n GLU 66 Cb 0.28 -0.78 -0.14 0.00 -0.57 0.00 0.00 31.44 30.23 1wxl n GLU 66 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 1wxl h MET 67 N 0.00 0.24 -0.15 3.49 2.86 0.33 -0.70 114.93 121.01 1wxl h MET 67 Ca 0.00 -0.40 -0.06 0.00 -2.06 0.00 0.00 59.70 57.18 1wxl h MET 67 Cb 0.83 0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.63 1wxl h MET 67 CO 0.00 1.18 -0.15 0.07 1.06 0.00 0.00 176.91 179.07 1wxl h ARG 68 N -0.48 0.36 -0.93 1.72 0.11 -0.85 -2.89 114.38 111.43 1wxl h ARG 68 Ca -0.11 -0.19 0.00 0.00 0.10 0.00 0.00 59.98 59.78 1wxl h ARG 68 Cb 1.48 0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.57 1wxl h ARG 68 CO 0.12 0.74 0.00 0.09 0.10 0.00 0.00 179.97 181.02 1wxl n ASN 69 N -4.55 1.39 -4.54 0.08 3.02 0.17 -4.87 115.26 105.96 1wxl n ASN 69 Ca -0.06 -2.08 -0.23 0.00 -0.03 0.00 0.00 54.58 52.18 1wxl n ASN 69 Cb 0.36 -0.50 -0.11 0.00 -0.61 0.00 0.00 39.78 38.92 1wxl n ASN 69 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wxl n TYR 70 N 0.04 0.87 -2.63 3.10 9.36 -0.27 -3.78 117.16 123.85 1wxl n TYR 70 Ca 0.03 0.06 -0.05 0.00 3.32 0.00 0.00 57.90 61.25 1wxl n TYR 70 Cb 0.33 -2.08 -0.04 0.00 -0.63 0.00 0.00 39.34 36.91 1wxl n TYR 70 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1wxl n LYS 71 N 8.01 -4.36 -1.94 2.98 4.81 -1.26 -4.73 118.16 121.66 1wxl n LYS 71 Ca 0.52 3.29 -0.27 0.00 -0.87 0.00 0.00 58.31 60.98 1wxl n LYS 71 Cb 0.34 -4.65 -0.05 0.00 0.02 0.00 0.00 35.03 30.69 1wxl n LYS 71 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1wxl s PRO 72 N -0.60 2.39 0.15 1.64 0.04 -1.25 -3.85 135.00 133.53 1wxl s PRO 72 Ca -0.25 0.08 0.00 0.00 0.04 0.00 0.00 61.00 60.87 1wxl s PRO 72 Cb 0.02 -4.87 0.00 0.00 0.04 0.00 0.00 34.50 29.69 1wxl s PRO 72 CO 0.68 -3.43 0.00 -1.91 0.04 0.00 0.00 177.00 172.38 1wxl n GLU 73 N 8.92 0.00 -0.49 4.56 0.00 -1.26 -5.24 120.64 127.13 1wxl n GLU 73 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.53 1wxl n GLU 73 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.92 1wxl n GLU 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13