#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 3.35 0.05 7.33 0.09 -1.26 -5.09 115.29 119.76 1wxl s HIS 3 Ca 0.00 1.21 0.07 0.00 -0.00 0.00 0.00 55.06 56.34 1wxl s HIS 3 Cb 0.00 -2.91 -0.03 0.00 -0.00 0.00 0.00 32.58 29.64 1wxl s HIS 3 CO 0.00 -1.07 -0.19 0.00 -0.00 0.00 0.00 174.74 173.48 1wxl s MET 4 N -5.21 1.20 -1.37 1.40 0.00 -1.26 -5.05 119.30 109.00 1wxl s MET 4 Ca 0.57 -0.93 -0.10 0.00 0.00 0.00 0.00 55.69 55.23 1wxl s MET 4 Cb -0.12 -1.31 -0.06 0.00 0.00 0.00 0.00 34.83 33.34 1wxl s MET 4 CO 0.53 0.32 2.57 -0.35 0.00 0.00 0.00 175.02 178.10 1wxl n PRO 5 N 1.71 3.03 -1.30 3.16 -0.04 -1.26 -4.73 135.00 135.56 1wxl n PRO 5 Ca -0.18 -2.06 -0.22 0.00 -0.04 0.00 0.00 63.50 61.00 1wxl n PRO 5 Cb 0.54 -2.80 -0.10 0.00 -0.04 0.00 0.00 33.50 31.09 1wxl n PRO 5 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1wxl n LYS 6 N 4.37 2.47 0.00 0.54 2.85 -1.15 -3.93 118.16 123.31 1wxl n LYS 6 Ca 0.64 -1.82 0.00 0.00 -1.05 0.00 0.00 58.31 56.08 1wxl n LYS 6 Cb 0.24 -2.16 0.00 0.00 -0.65 0.00 0.00 35.03 32.46 1wxl n LYS 6 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 1wxl n ARG 7 N 1.83 0.00 -3.65 -1.58 0.63 -1.26 -4.87 116.66 107.76 1wxl n ARG 7 Ca 0.49 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 57.35 1wxl n ARG 7 Cb 0.67 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.56 1wxl n ARG 7 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1wxl s ALA 8 N -2.00 -1.53 -0.27 5.13 0.00 -1.26 -4.67 121.76 117.16 1wxl s ALA 8 Ca 0.00 0.24 -0.26 0.00 0.00 0.00 0.00 51.96 51.95 1wxl s ALA 8 Cb 0.00 0.74 0.00 0.00 0.00 0.00 0.00 23.12 23.86 1wxl s ALA 8 CO 0.00 -0.90 0.89 0.99 0.00 0.00 0.00 175.76 176.74 1wxl s THR 9 N -3.59 4.75 0.75 0.00 2.01 -1.26 -4.87 115.64 113.43 1wxl s THR 9 Ca 0.07 1.59 -0.14 0.00 0.31 0.00 0.00 61.69 63.53 1wxl s THR 9 Cb -0.03 -4.20 0.05 0.00 0.01 0.00 0.00 72.50 68.33 1wxl s THR 9 CO -0.02 -0.19 1.15 -0.89 -0.69 0.00 0.00 174.62 173.98 1wxl s THR 10 N 3.04 2.67 0.30 -0.82 2.01 -1.26 -3.53 115.64 118.06 1wxl s THR 10 Ca 0.37 0.29 0.05 0.00 0.31 0.00 0.00 61.69 62.71 1wxl s THR 10 Cb -0.15 -2.75 0.31 0.00 0.01 0.00 0.00 72.50 69.93 1wxl s THR 10 CO 0.09 -0.21 1.66 0.00 -0.69 0.00 0.00 174.62 175.47 1wxl h ALA 11 N -0.57 1.45 -0.16 7.40 0.00 -1.87 1.04 119.26 126.54 1wxl h ALA 11 Ca -0.46 0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 1wxl h ALA 11 Cb 1.27 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 1wxl h ALA 11 CO 0.50 -0.47 -0.42 0.35 0.00 0.00 0.00 179.25 179.21 1wxl h PHE 12 N 0.26 0.46 0.18 0.00 3.04 -1.96 -2.90 116.94 116.02 1wxl h PHE 12 Ca 0.59 -0.13 -0.01 0.00 3.98 0.00 0.00 57.97 62.40 1wxl h PHE 12 Cb 1.23 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 39.64 1wxl h PHE 12 CO -0.19 0.75 -0.09 0.52 -2.02 0.00 0.00 178.31 177.28 1wxl h MET 13 N 0.32 -0.23 -0.06 1.11 2.86 0.43 -0.22 114.93 119.14 1wxl h MET 13 Ca 0.03 0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.70 1wxl h MET 13 Cb 0.87 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.59 1wxl h MET 13 CO 0.07 -0.16 0.43 1.37 1.06 0.00 0.00 176.91 179.68 1wxl h LEU 14 N -0.96 0.00 0.02 1.22 -0.00 0.23 1.71 115.31 117.53 1wxl h LEU 14 Ca -0.02 0.00 -0.39 0.00 -0.00 0.00 0.00 57.88 57.46 1wxl h LEU 14 Cb 0.19 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 40.79 1wxl h LEU 14 CO 0.04 0.00 -2.27 1.87 -0.00 0.00 0.00 178.44 178.08 1wxl n TRP 15 N -2.94 0.33 0.26 0.17 -0.00 -1.09 -3.60 117.44 110.56 1wxl n TRP 15 Ca -0.00 0.10 0.13 0.00 -0.00 0.00 0.00 57.50 57.73 1wxl n TRP 15 Cb 0.49 -1.04 0.63 0.00 -0.00 0.00 0.00 31.31 31.39 1wxl n TRP 15 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 177.69 178.94 1wxl h LEU 16 N -0.49 0.00 0.13 5.87 5.85 0.58 1.23 115.31 128.49 1wxl h LEU 16 Ca -0.57 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.14 1wxl h LEU 16 Cb 1.74 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.77 1wxl h LEU 16 CO -0.20 0.00 -0.06 -1.13 -0.34 0.00 0.00 178.44 176.70 1wxl h ASN 17 N 0.00 -0.15 1.13 1.25 -0.73 0.24 1.60 115.58 118.92 1wxl h ASN 17 Ca 0.00 -0.40 -0.12 0.00 1.87 0.00 0.00 56.30 57.65 1wxl h ASN 17 Cb 0.15 0.04 -0.02 0.00 0.27 0.00 0.00 38.32 38.76 1wxl h ASN 17 CO 0.00 0.44 -0.59 0.44 -0.37 0.00 0.00 177.43 177.35 1wxl h ASP 18 N -0.87 0.00 0.00 1.15 5.19 -1.42 -3.22 116.42 117.25 1wxl h ASP 18 Ca -0.02 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 56.11 1wxl h ASP 18 Cb 0.54 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.99 1wxl h ASP 18 CO 0.03 0.59 -2.18 0.41 -3.12 0.00 0.00 179.24 174.97 1wxl n THR 19 N -3.38 1.07 0.15 0.35 -1.04 0.42 -3.98 114.28 107.86 1wxl n THR 19 Ca 0.01 -0.72 0.06 0.00 -2.04 0.00 0.00 64.05 61.36 1wxl n THR 19 Cb 0.71 -0.45 0.54 0.00 -1.82 0.00 0.00 70.33 69.31 1wxl n THR 19 CO 0.00 0.00 0.00 0.08 -0.64 0.00 0.00 175.07 174.51 1wxl h ARG 20 N 0.00 0.22 -0.64 -2.82 0.11 0.23 1.41 114.38 112.89 1wxl h ARG 20 Ca -0.42 -0.02 -0.02 0.00 0.10 0.00 0.00 59.98 59.62 1wxl h ARG 20 Cb 1.94 -0.05 -0.03 0.00 1.11 0.00 0.00 29.97 32.95 1wxl h ARG 20 CO 0.02 0.16 0.31 1.49 0.10 0.00 0.00 179.97 182.06 1wxl h GLU 21 N 0.23 0.92 0.00 0.08 4.81 -1.66 0.04 114.58 119.01 1wxl h GLU 21 Ca 0.06 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1wxl h GLU 21 Cb 0.00 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.21 1wxl h GLU 21 CO -0.01 0.73 0.00 0.43 -0.73 0.00 0.00 179.01 179.43 1wxl n SER 22 N -4.49 0.63 0.07 1.04 7.64 0.44 -2.48 113.62 116.45 1wxl n SER 22 Ca 0.05 0.68 -0.23 0.00 1.01 0.00 0.00 58.87 60.38 1wxl n SER 22 Cb 0.12 -0.80 -0.15 0.00 -1.01 0.00 0.00 64.21 62.37 1wxl n SER 22 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1wxl h ILE 23 N 0.00 0.94 -0.07 0.44 2.04 0.18 -1.90 117.51 119.13 1wxl h ILE 23 Ca 0.00 -2.50 -0.11 0.00 1.00 0.00 0.00 64.86 63.25 1wxl h ILE 23 Cb 0.28 2.76 -0.01 0.00 -0.74 0.00 0.00 36.82 39.10 1wxl h ILE 23 CO 0.00 0.85 -0.46 0.11 0.00 0.00 0.00 178.15 178.66 1wxl h LYS 24 N 0.08 0.15 0.00 2.37 1.79 -1.01 0.29 116.57 120.24 1wxl h LYS 24 Ca -0.34 -0.08 -0.11 0.00 -2.18 0.00 0.00 60.65 57.94 1wxl h LYS 24 Cb 2.08 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 32.74 1wxl h LYS 24 CO 0.17 0.58 -0.43 0.07 -1.08 0.00 0.00 179.45 178.77 1wxl h ARG 25 N 0.13 0.29 0.00 3.15 0.11 -1.60 0.37 114.38 116.83 1wxl h ARG 25 Ca 0.01 -0.31 0.00 0.00 0.10 0.00 0.00 59.98 59.78 1wxl h ARG 25 Cb 0.86 0.09 0.00 0.00 1.11 0.00 0.00 29.97 32.03 1wxl h ARG 25 CO 0.07 1.01 0.00 0.39 0.10 0.00 0.00 179.97 181.54 1wxl n GLU 26 N -4.36 0.10 -2.98 0.08 -0.58 -0.72 -3.44 120.64 108.74 1wxl n GLU 26 Ca -0.10 0.44 -0.15 0.00 -0.42 0.00 0.00 57.16 56.93 1wxl n GLU 26 Cb 0.59 -1.73 -0.02 0.00 -0.57 0.00 0.00 31.44 29.71 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 -1.93 -1.70 -1.89 1.62 3.02 0.99 -5.02 115.26 110.35 1wxl n ASN 27 Ca 0.01 -2.90 -0.01 0.00 -0.03 0.00 0.00 54.58 51.65 1wxl n ASN 27 Cb 0.13 0.70 -0.01 0.00 -0.61 0.00 0.00 39.78 40.00 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 2.00 0.41 -0.27 3.52 -0.02 0.13 -2.31 135.00 138.45 1wxl n PRO 28 Ca 0.18 -0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1wxl n PRO 28 Cb 0.56 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.68 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 1.95 0.84 0.00 -1.23 0.00 -1.26 -5.07 105.19 100.43 1wxl n GLY 29 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.50 -0.61 -5.35 -0.98 -5.14 119.36 103.79 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 0.42 0.00 -0.04 0.00 -1.74 0.00 0.00 39.64 38.28 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 2.20 0.98 0.37 6.28 -2.85 -1.26 -4.98 119.74 120.48 1wxl s LYS 31 Ca 0.00 -0.10 0.31 0.00 -1.00 0.00 0.00 55.97 55.17 1wxl s LYS 31 Cb 0.00 0.46 1.22 0.00 -2.06 0.00 0.00 37.83 37.45 1wxl s LYS 31 CO 0.00 -0.38 1.20 1.33 0.10 0.00 0.00 175.35 177.60 1wxl n VAL 32 N 0.23 -0.12 0.07 1.79 0.24 -1.26 0.20 118.33 119.48 1wxl n VAL 32 Ca -0.14 1.29 -0.03 0.00 -2.04 0.00 0.00 64.34 63.42 1wxl n VAL 32 Cb 0.61 -2.13 -0.07 0.00 -1.47 0.00 0.00 33.84 30.78 1wxl n VAL 32 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1wxl h THR 33 N 0.00 1.04 0.00 3.34 1.35 -1.99 -2.94 112.91 113.72 1wxl h THR 33 Ca 0.70 -2.61 0.00 0.00 -0.55 0.00 0.00 66.41 63.94 1wxl h THR 33 Cb 2.48 2.47 0.00 0.00 -1.73 0.00 0.00 68.15 71.37 1wxl h THR 33 CO -0.22 0.60 -0.44 -0.08 -0.25 0.00 0.00 175.52 175.13 1wxl h GLU 34 N 0.00 0.00 0.02 4.72 4.81 0.18 -2.56 114.58 121.74 1wxl h GLU 34 Ca -0.08 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1wxl h GLU 34 Cb 1.64 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.02 1wxl h GLU 34 CO 0.08 0.00 -0.01 0.82 -0.73 0.00 0.00 179.01 179.17 1wxl h ILE 35 N 0.00 1.49 0.00 2.32 2.04 -1.17 0.16 117.51 122.35 1wxl h ILE 35 Ca 0.00 -1.85 -0.02 0.00 1.00 0.00 0.00 64.86 63.99 1wxl h ILE 35 Cb 0.88 2.68 -0.00 0.00 -0.74 0.00 0.00 36.82 39.64 1wxl h ILE 35 CO 0.00 0.46 -0.09 0.00 0.00 0.00 0.00 178.15 178.51 1wxl h ALA 36 N 0.02 1.01 0.00 1.87 0.00 -1.61 -1.74 119.26 118.80 1wxl h ALA 36 Ca -0.00 -0.08 -0.23 0.00 0.00 0.00 0.00 54.91 54.59 1wxl h ALA 36 Cb 0.77 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1wxl h ALA 36 CO 0.00 0.11 -1.44 1.63 0.00 0.00 0.00 179.25 179.56 1wxl n LYS 37 N -3.21 0.55 0.04 0.00 4.01 -0.97 -3.34 118.16 115.25 1wxl n LYS 37 Ca 0.01 0.46 0.08 0.00 -0.51 0.00 0.00 58.31 58.35 1wxl n LYS 37 Cb 0.37 -1.65 0.35 0.00 -0.51 0.00 0.00 35.03 33.59 1wxl n LYS 37 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 1wxl n LYS 38 N -4.42 0.06 -0.02 1.97 -0.00 0.55 -2.53 118.16 113.78 1wxl n LYS 38 Ca -0.32 0.33 -0.22 0.00 -0.00 0.00 0.00 58.31 58.10 1wxl n LYS 38 Cb 0.65 -1.62 -0.13 0.00 -0.00 0.00 0.00 35.03 33.92 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 2.15 0.24 0.51 2.58 0.00 -1.46 -3.34 103.07 103.75 1wxl h GLY 39 Ca 0.00 -0.61 0.10 0.00 0.00 0.00 0.00 47.33 46.82 1wxl h GLY 39 CO 0.00 0.53 0.50 -1.33 0.00 0.00 0.00 176.54 176.24 1wxl h GLY 40 N 0.45 1.35 0.64 4.60 0.00 -1.49 1.33 103.07 109.96 1wxl h GLY 40 Ca -0.39 -0.33 0.05 0.00 0.00 0.00 0.00 47.33 46.66 1wxl h GLY 40 CO 0.02 0.13 0.17 1.05 0.00 0.00 0.00 176.54 177.91 1wxl h GLU 41 N 0.83 0.35 0.03 4.80 4.11 -1.70 0.19 114.58 123.18 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 0.39 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1wxl h GLU 41 CO -0.25 0.23 -0.97 0.00 0.07 0.00 0.00 179.01 178.08 1wxl h MET 42 N 0.36 0.25 0.45 1.06 -0.00 -1.42 -3.33 114.93 112.29 1wxl h MET 42 Ca 0.20 -0.30 -0.02 0.00 -0.00 0.00 0.00 59.70 59.58 1wxl h MET 42 Cb 0.18 0.09 0.00 0.00 -0.00 0.00 0.00 31.60 31.88 1wxl h MET 42 CO -0.19 1.04 -0.22 2.35 -0.00 0.00 0.00 176.91 179.90 1wxl h TRP 43 N 0.12 -0.56 -0.86 -0.10 2.91 0.23 -2.74 115.95 114.95 1wxl h TRP 43 Ca -0.07 -0.01 0.25 0.00 1.13 0.00 0.00 58.89 60.19 1wxl h TRP 43 Cb 1.63 0.19 -0.03 0.00 -0.51 0.00 0.00 29.16 30.43 1wxl h TRP 43 CO 0.04 -0.30 0.84 0.87 -1.03 0.00 0.00 178.44 178.86 1wxl h LYS 44 N -0.71 0.00 -0.98 2.65 1.57 -0.76 0.16 116.57 118.50 1wxl h LYS 44 Ca -0.06 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.12 1wxl h LYS 44 Cb 0.52 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.44 1wxl h LYS 44 CO 0.10 0.00 -0.32 0.39 -0.57 0.00 0.00 179.45 179.05 1wxl n GLU 45 N -3.67 3.34 -4.89 3.15 -0.58 -1.04 -5.01 120.64 111.94 1wxl n GLU 45 Ca 0.18 -3.98 -0.27 0.00 -0.42 0.00 0.00 57.16 52.67 1wxl n GLU 45 Cb 1.13 -2.28 -0.15 0.00 -0.57 0.00 0.00 31.44 29.57 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 -3.67 2.10 -0.13 -4.62 2.34 0.56 -5.02 118.68 110.25 1wxl s LEU 46 Ca 0.54 -0.46 0.08 0.00 0.06 0.00 0.00 54.13 54.34 1wxl s LEU 46 Cb 0.43 -1.08 0.45 0.00 -0.56 0.00 0.00 46.19 45.43 1wxl s LEU 46 CO -0.03 0.23 1.18 2.29 -1.06 0.00 0.00 176.35 178.96 1wxl n LYS 47 N 2.19 3.11 -0.00 1.48 2.85 -1.26 -3.35 118.16 123.19 1wxl n LYS 47 Ca -0.16 -1.71 0.07 0.00 -1.05 0.00 0.00 58.31 55.46 1wxl n LYS 47 Cb 0.53 -1.91 -0.10 0.00 -0.65 0.00 0.00 35.03 32.90 1wxl n LYS 47 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1wxl n ASP 48 N 0.34 1.21 0.20 -5.58 -0.08 -1.26 -4.29 116.55 107.09 1wxl n ASP 48 Ca 0.15 -0.37 0.07 0.00 -1.51 0.00 0.00 54.79 53.14 1wxl n ASP 48 Cb 0.76 1.38 0.33 0.00 2.34 0.00 0.00 41.12 45.93 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 0.00 0.00 0.00 -0.67 3.11 -1.87 1.34 116.57 118.48 1wxl h LYS 49 Ca 0.00 0.00 -0.16 0.00 -2.81 0.00 0.00 60.65 57.68 1wxl h LYS 49 Cb 0.53 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.74 1wxl h LYS 49 CO 0.00 0.31 -0.77 0.77 -2.81 0.00 0.00 179.45 176.95 1wxl h SER 50 N 0.00 0.00 0.70 4.20 0.02 -1.78 0.78 113.55 117.47 1wxl h SER 50 Ca -0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1wxl h SER 50 Cb 0.93 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.46 1wxl h SER 50 CO 0.04 0.77 -1.35 1.17 -1.14 0.00 0.00 176.83 176.31 1wxl n LYS 51 N -3.59 0.62 -0.02 3.45 0.00 -0.88 -4.24 118.16 113.51 1wxl n LYS 51 Ca -0.01 0.10 -0.21 0.00 0.00 0.00 0.00 58.31 58.19 1wxl n LYS 51 Cb 0.75 -1.76 -0.14 0.00 0.00 0.00 0.00 35.03 33.88 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 -2.68 1.04 -0.35 5.64 8.01 0.46 -4.11 117.44 125.44 1wxl n TRP 52 Ca -0.05 0.23 0.27 0.00 -1.31 0.00 0.00 57.50 56.63 1wxl n TRP 52 Cb 0.67 -1.14 0.56 0.00 -2.01 0.00 0.00 31.31 29.39 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 0.03 0.28 -0.71 -0.99 4.39 0.39 1.25 114.58 119.22 1wxl h GLU 53 Ca -0.45 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.24 1wxl h GLU 53 Cb 1.99 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 30.54 1wxl h GLU 53 CO 0.05 0.19 0.47 0.22 -1.16 0.00 0.00 179.01 178.78 1wxl h ASP 54 N 0.29 0.81 -0.39 1.42 3.58 -1.74 0.25 116.42 120.64 1wxl h ASP 54 Ca 0.65 -0.02 0.06 0.00 0.42 0.00 0.00 57.03 58.15 1wxl h ASP 54 Cb 1.83 -0.20 -0.06 0.00 1.72 0.00 0.00 39.33 42.62 1wxl h ASP 54 CO -0.32 0.58 0.05 0.00 -2.88 0.00 0.00 179.24 176.68 1wxl h ALA 55 N 1.56 0.41 0.74 -0.78 0.00 0.14 0.24 119.26 121.57 1wxl h ALA 55 Ca 0.26 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 1wxl h ALA 55 Cb -0.10 0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.82 1wxl h ALA 55 CO -0.06 -0.35 -0.36 0.00 0.00 0.00 0.00 179.25 178.49 1wxl h ALA 56 N 1.31 -1.00 0.00 0.00 0.00 -0.60 0.20 119.26 119.18 1wxl h ALA 56 Ca 0.19 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1wxl h ALA 56 Cb 0.24 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1wxl h ALA 56 CO -0.27 -0.97 0.00 0.00 0.00 0.00 0.00 179.25 178.01 1wxl h ALA 57 N -1.06 1.00 0.08 0.00 0.00 -0.55 0.19 119.26 118.92 1wxl h ALA 57 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.47 1wxl h ALA 57 Cb 0.78 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1wxl h ALA 57 CO 0.17 0.00 -1.88 0.36 0.00 0.00 0.00 179.25 177.90 1wxl n LYS 58 N -2.79 0.71 0.09 0.00 2.85 0.85 -3.39 118.16 116.47 1wxl n LYS 58 Ca -0.01 0.28 -0.19 0.00 -1.05 0.00 0.00 58.31 57.34 1wxl n LYS 58 Cb 0.13 -1.75 -0.15 0.00 -0.65 0.00 0.00 35.03 32.62 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 0.05 0.51 -0.13 -5.58 1.82 -0.13 -1.72 116.42 111.24 1wxl h ASP 59 Ca -0.37 -0.65 -0.03 0.00 -0.39 0.00 0.00 57.03 55.59 1wxl h ASP 59 Cb 2.03 -0.17 -0.00 0.00 0.68 0.00 0.00 39.33 41.87 1wxl h ASP 59 CO 0.09 1.54 -0.02 0.07 -1.61 0.00 0.00 179.24 179.30 1wxl h LYS 60 N 0.09 0.25 0.00 0.28 -0.00 -1.17 0.37 116.57 116.39 1wxl h LYS 60 Ca -0.24 -0.09 -0.04 0.00 -0.00 0.00 0.00 60.65 60.27 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 0.53 -0.19 0.37 -0.00 0.00 0.00 179.45 180.36 1wxl h GLN 61 N -0.05 0.00 0.00 0.07 4.15 -1.68 -0.97 115.11 116.63 1wxl h GLN 61 Ca 0.03 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1wxl h GLN 61 Cb 0.43 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.12 1wxl h GLN 61 CO 0.01 0.19 -0.81 -2.13 -1.93 0.00 0.00 178.83 174.15 1wxl n ARG 62 N -3.41 0.37 -0.00 1.69 0.63 -0.64 -1.80 116.66 113.49 1wxl n ARG 62 Ca -0.00 0.07 -0.21 0.00 -0.92 0.00 0.00 57.85 56.79 1wxl n ARG 62 Cb 0.38 -1.70 -0.14 0.00 0.45 0.00 0.00 32.46 31.46 1wxl n ARG 62 CO 0.00 0.00 0.00 -0.92 -2.51 0.00 0.00 177.63 174.20 1wxl h TYR 63 N 0.00 0.38 0.00 -0.14 3.20 0.28 -3.31 116.97 117.39 1wxl h TYR 63 Ca 0.00 -0.28 -0.11 0.00 3.14 0.00 0.00 58.73 61.48 1wxl h TYR 63 Cb 0.80 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.04 1wxl h TYR 63 CO 0.00 1.48 -0.55 1.12 -1.64 0.00 0.00 178.16 178.57 1wxl h HIS 64 N -0.43 0.00 0.00 -3.82 2.07 -1.33 2.52 115.15 114.15 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 1.65 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.63 1wxl h HIS 64 CO 0.14 0.55 0.00 -0.25 -3.07 0.00 0.00 177.93 175.30 1wxl n ASP 65 N -3.62 0.00 0.00 3.10 9.92 -0.75 -3.33 116.55 121.88 1wxl n ASP 65 Ca -0.00 0.34 0.00 0.00 -0.53 0.00 0.00 54.79 54.59 1wxl n ASP 65 Cb 0.61 -0.35 0.00 0.00 -0.64 0.00 0.00 41.12 40.74 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 -1.35 0.00 -0.10 -1.24 0.28 -1.09 -4.94 120.64 112.20 1wxl n GLU 66 Ca 0.01 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 57.07 1wxl n GLU 66 Cb 0.02 0.00 0.09 0.00 1.43 0.00 0.00 31.44 32.98 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 -0.29 1.46 -0.29 3.44 2.81 0.73 -4.76 117.12 120.23 1wxl n MET 67 Ca 0.00 -2.14 0.07 0.00 -1.81 0.00 0.00 57.70 53.81 1wxl n MET 67 Cb 0.00 -1.27 0.18 0.00 -0.71 0.00 0.00 33.22 31.42 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 0.06 -0.34 0.03 0.11 0.19 0.16 114.38 114.58 1wxl h ARG 68 Ca 0.00 -0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.03 1wxl h ARG 68 Cb 0.94 -0.01 -0.03 0.00 1.11 0.00 0.00 29.97 31.98 1wxl h ARG 68 CO 0.00 0.04 0.02 0.27 0.10 0.00 0.00 179.97 180.40 1wxl n ASN 69 N -5.43 3.94 0.04 0.08 0.23 -1.26 -4.65 115.26 108.21 1wxl n ASN 69 Ca 0.16 -3.14 -0.13 0.00 -0.53 0.00 0.00 54.58 50.94 1wxl n ASN 69 Cb 0.53 -0.59 -0.09 0.00 -2.08 0.00 0.00 39.78 37.55 1wxl n ASN 69 CO 0.00 0.00 0.00 1.88 -0.93 0.00 0.00 177.26 178.21 1wxl h TYR 70 N 1.94 -0.13 -0.20 -2.53 -1.99 -0.95 -3.45 116.97 109.66 1wxl h TYR 70 Ca 0.06 -0.00 0.09 0.00 2.00 0.00 0.00 58.73 60.88 1wxl h TYR 70 Cb 1.61 0.04 -0.17 0.00 2.00 0.00 0.00 36.73 40.22 1wxl h TYR 70 CO 0.69 0.30 -0.11 0.21 -0.00 0.00 0.00 178.16 179.25 1wxl s LYS 71 N -4.21 0.18 0.05 4.88 2.47 -1.25 -5.04 119.74 116.82 1wxl s LYS 71 Ca -0.15 -0.10 -0.19 0.00 -1.56 0.00 0.00 55.97 53.97 1wxl s LYS 71 Cb 0.02 0.01 -0.13 0.00 -1.46 0.00 0.00 37.83 36.27 1wxl s LYS 71 CO 0.60 -0.25 1.37 -1.00 0.16 0.00 0.00 175.35 176.24 1wxl h PRO 72 N 5.03 0.40 -1.40 4.03 0.13 -1.83 -3.03 132.00 135.33 1wxl h PRO 72 Ca -0.03 -0.20 0.33 0.00 -0.87 0.00 0.00 66.00 65.23 1wxl h PRO 72 Cb 1.21 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.23 1wxl h PRO 72 CO -0.09 0.76 0.85 -1.21 -0.23 0.00 0.00 178.00 178.08 1wxl s GLU 73 N -4.37 0.36 0.00 0.86 2.02 -1.26 -4.51 118.70 111.79 1wxl s GLU 73 Ca -0.14 -0.20 0.00 0.00 0.02 0.00 0.00 54.97 54.65 1wxl s GLU 73 Cb 0.06 0.12 0.00 0.00 0.10 0.00 0.00 34.13 34.41 1wxl s GLU 73 CO 0.76 -0.16 0.00 0.00 0.02 0.00 0.00 175.26 175.88