#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wxl h HIS 3 N 0.00 0.00 -3.53 7.33 2.76 -2.09 -3.48 115.15 116.14 1wxl h HIS 3 Ca 0.00 0.00 -0.47 0.00 -2.20 0.00 0.00 60.37 57.70 1wxl h HIS 3 Cb 0.00 0.00 0.05 0.00 1.55 0.00 0.00 27.41 29.01 1wxl h HIS 3 CO 0.00 0.47 0.14 0.00 -1.30 0.00 0.00 177.93 177.24 1wxl s MET 4 N -2.09 2.92 0.17 5.26 0.00 -1.26 -5.02 119.30 119.29 1wxl s MET 4 Ca -0.15 -0.08 -0.32 0.00 0.00 0.00 0.00 55.69 55.15 1wxl s MET 4 Cb 0.02 -2.31 -0.11 0.00 0.00 0.00 0.00 34.83 32.43 1wxl s MET 4 CO 0.31 -0.66 1.68 -2.14 0.00 0.00 0.00 175.02 174.21 1wxl s PRO 5 N -4.94 4.16 0.00 3.16 0.02 -1.26 -5.01 135.00 131.13 1wxl s PRO 5 Ca 0.53 2.51 0.00 0.00 0.02 0.00 0.00 61.00 64.06 1wxl s PRO 5 Cb -0.10 -3.20 0.00 0.00 0.02 0.00 0.00 34.50 31.21 1wxl s PRO 5 CO 0.44 -0.71 0.00 1.63 -0.33 0.00 0.00 177.00 178.03 1wxl n LYS 6 N 4.31 3.59 -0.25 5.54 5.02 -1.26 -4.87 118.16 130.25 1wxl n LYS 6 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 1wxl n LYS 6 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.38 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 0.00 0.00 -0.10 1.97 5.12 -1.26 -4.55 116.66 117.84 1wxl n ARG 7 Ca 0.00 -0.73 0.01 0.00 -1.93 0.00 0.00 57.85 55.20 1wxl n ARG 7 Cb 0.00 -0.49 -0.00 0.00 -1.16 0.00 0.00 32.46 30.81 1wxl n ARG 7 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wxl n ALA 8 N 0.00 -0.26 -2.71 7.54 0.00 -1.26 -4.60 120.51 119.22 1wxl n ALA 8 Ca 0.00 0.05 -0.33 0.00 0.00 0.00 0.00 53.44 53.16 1wxl n ALA 8 Cb 0.60 -0.10 -0.13 0.00 0.00 0.00 0.00 19.45 19.82 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 -2.21 3.32 0.65 0.00 2.01 -1.26 -4.93 115.64 113.22 1wxl s THR 9 Ca 0.00 -0.60 -0.16 0.00 0.31 0.00 0.00 61.69 61.24 1wxl s THR 9 Cb 0.00 -2.36 -0.00 0.00 0.01 0.00 0.00 72.50 70.15 1wxl s THR 9 CO 0.00 0.57 1.13 -0.89 -0.69 0.00 0.00 174.62 174.73 1wxl s THR 10 N -0.36 3.10 0.29 -0.82 2.01 -1.26 -3.85 115.64 114.76 1wxl s THR 10 Ca 0.04 0.54 0.02 0.00 0.31 0.00 0.00 61.69 62.59 1wxl s THR 10 Cb -0.12 -3.07 0.32 0.00 0.01 0.00 0.00 72.50 69.63 1wxl s THR 10 CO 0.02 -0.29 1.63 0.00 -0.69 0.00 0.00 174.62 175.30 1wxl h ALA 11 N 0.14 1.23 -0.02 7.40 0.00 -1.86 1.39 119.26 127.54 1wxl h ALA 11 Ca -0.47 0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 1wxl h ALA 11 Cb 1.26 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 1wxl h ALA 11 CO 0.54 -0.49 -0.48 0.35 0.00 0.00 0.00 179.25 179.17 1wxl h PHE 12 N 0.17 0.05 0.00 0.00 3.04 -1.93 -2.57 116.94 115.70 1wxl h PHE 12 Ca 0.55 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.49 1wxl h PHE 12 Cb 1.12 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.62 1wxl h PHE 12 CO -0.30 0.52 -0.01 0.52 -2.02 0.00 0.00 178.31 177.02 1wxl h MET 13 N 0.04 0.00 -0.96 1.11 2.86 0.11 -0.74 114.93 117.35 1wxl h MET 13 Ca -0.00 0.00 0.27 0.00 -2.06 0.00 0.00 59.70 57.91 1wxl h MET 13 Cb 0.86 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.48 1wxl h MET 13 CO 0.06 0.00 0.68 1.37 1.06 0.00 0.00 176.91 180.09 1wxl h LEU 14 N -0.65 0.04 0.11 1.22 -0.00 0.43 1.26 115.31 117.71 1wxl h LEU 14 Ca 0.00 0.01 -0.26 0.00 -0.00 0.00 0.00 57.88 57.63 1wxl h LEU 14 Cb 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.67 1wxl h LEU 14 CO 0.00 0.01 -1.30 -0.25 -0.00 0.00 0.00 178.44 176.90 1wxl h TRP 15 N 0.04 0.42 0.00 0.17 7.01 -1.58 -3.21 115.95 118.80 1wxl h TRP 15 Ca 0.46 -0.31 0.00 0.00 2.11 0.00 0.00 58.89 61.15 1wxl h TRP 15 Cb 1.78 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 28.82 1wxl h TRP 15 CO -0.00 1.51 0.00 1.25 -2.79 0.00 0.00 178.44 178.41 1wxl h LEU 16 N -0.36 0.00 0.08 0.65 5.85 0.59 0.39 115.31 122.51 1wxl h LEU 16 Ca -0.28 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.44 1wxl h LEU 16 Cb 1.71 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.74 1wxl h LEU 16 CO 0.06 0.00 -0.04 -1.13 -0.34 0.00 0.00 178.44 176.99 1wxl h ASN 17 N 0.00 -0.09 1.15 1.25 -0.73 0.15 5.32 115.58 122.63 1wxl h ASN 17 Ca 0.00 -0.49 -0.06 0.00 1.87 0.00 0.00 56.30 57.62 1wxl h ASN 17 Cb 0.19 0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.80 1wxl h ASN 17 CO 0.00 0.50 -0.28 0.44 -0.37 0.00 0.00 177.43 177.72 1wxl h ASP 18 N -0.75 0.00 0.00 1.15 5.19 -1.42 -3.13 116.42 117.46 1wxl h ASP 18 Ca -0.01 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.30 1wxl h ASP 18 Cb 0.58 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.07 1wxl h ASP 18 CO 0.02 0.28 -1.97 0.41 -3.12 0.00 0.00 179.24 174.86 1wxl n THR 19 N -3.33 0.37 -0.26 0.35 -1.04 0.13 -4.05 114.28 106.47 1wxl n THR 19 Ca 0.01 -0.53 0.11 0.00 -2.04 0.00 0.00 64.05 61.60 1wxl n THR 19 Cb 0.52 -0.12 0.38 0.00 -1.82 0.00 0.00 70.33 69.28 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 0.67 -0.62 -2.82 2.43 1.08 1.94 114.38 117.07 1wxl h ARG 20 Ca -0.15 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 58.90 1wxl h ARG 20 Cb 1.24 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.62 1wxl h ARG 20 CO 0.01 0.44 0.06 1.49 -1.51 0.00 0.00 179.97 180.46 1wxl h GLU 21 N 0.69 1.03 0.00 0.20 4.81 -1.71 -2.19 114.58 117.41 1wxl h GLU 21 Ca 0.43 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1wxl h GLU 21 Cb 0.68 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1wxl h GLU 21 CO -0.19 0.97 0.00 0.77 -0.73 0.00 0.00 179.01 179.83 1wxl h SER 22 N 0.96 0.00 0.09 1.04 0.02 0.26 -2.89 113.55 113.03 1wxl h SER 22 Ca 0.18 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.87 1wxl h SER 22 Cb 0.47 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 1wxl h SER 22 CO 0.02 0.00 -1.40 0.40 -1.14 0.00 0.00 176.83 174.71 1wxl h ILE 23 N 0.00 0.99 -0.07 3.27 2.04 0.77 -2.80 117.51 121.71 1wxl h ILE 23 Ca 0.00 -2.35 -0.08 0.00 1.00 0.00 0.00 64.86 63.43 1wxl h ILE 23 Cb 0.47 2.63 -0.01 0.00 -0.74 0.00 0.00 36.82 39.17 1wxl h ILE 23 CO 0.00 0.66 -0.32 0.50 0.00 0.00 0.00 178.15 178.98 1wxl h LYS 24 N -0.41 0.14 -0.16 2.37 1.63 -1.44 0.84 116.57 119.54 1wxl h LYS 24 Ca -0.31 -0.05 -0.10 0.00 -0.85 0.00 0.00 60.65 59.33 1wxl h LYS 24 Cb 1.68 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 33.31 1wxl h LYS 24 CO 0.01 0.45 -0.31 0.07 -3.45 0.00 0.00 179.45 176.23 1wxl h ARG 25 N 0.12 0.49 0.00 1.90 0.11 -1.65 0.24 114.38 115.59 1wxl h ARG 25 Ca 0.02 -0.31 0.00 0.00 0.10 0.00 0.00 59.98 59.78 1wxl h ARG 25 Cb 0.64 0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.76 1wxl h ARG 25 CO 0.05 0.92 0.00 0.93 0.10 0.00 0.00 179.97 181.96 1wxl h GLU 26 N 0.12 0.00 -1.95 0.08 4.39 -1.17 -3.30 114.58 112.75 1wxl h GLU 26 Ca 0.01 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.19 1wxl h GLU 26 Cb 0.90 0.00 -0.35 0.00 -0.10 0.00 0.00 28.75 29.20 1wxl h GLU 26 CO 0.07 0.00 -0.95 0.09 -1.16 0.00 0.00 179.01 177.06 1wxl n ASN 27 N -2.37 -0.70 -1.82 1.42 5.03 0.29 -5.02 115.26 112.08 1wxl n ASN 27 Ca 0.02 -2.60 -0.03 0.00 0.87 0.00 0.00 54.58 52.84 1wxl n ASN 27 Cb 0.24 -0.21 -0.04 0.00 -1.02 0.00 0.00 39.78 38.74 1wxl n ASN 27 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 1wxl n PRO 28 N 2.26 0.97 -0.33 3.52 -0.04 0.78 -2.90 135.00 139.26 1wxl n PRO 28 Ca 0.24 -0.26 -0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1wxl n PRO 28 Cb 0.52 -1.40 -0.00 0.00 -0.04 0.00 0.00 33.50 32.57 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 2.00 0.54 0.00 0.55 0.00 -1.26 -5.09 105.19 101.94 1wxl n GLY 29 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -3.78 -0.61 -5.35 -1.14 -5.14 119.36 103.34 1wxl n ILE 30 Ca -0.01 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.34 1wxl n ILE 30 Cb 0.31 0.00 -0.09 0.00 -1.74 0.00 0.00 39.64 38.12 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 2.79 0.66 0.35 6.28 -2.85 -1.26 -5.00 119.74 120.72 1wxl s LYS 31 Ca 0.00 -0.26 0.27 0.00 -1.00 0.00 0.00 55.97 54.98 1wxl s LYS 31 Cb 0.00 0.29 1.18 0.00 -2.06 0.00 0.00 37.83 37.24 1wxl s LYS 31 CO 0.00 -0.18 1.20 1.55 0.10 0.00 0.00 175.35 178.02 1wxl n VAL 32 N 1.20 -0.16 0.12 1.79 3.14 -1.26 0.22 118.33 123.37 1wxl n VAL 32 Ca -0.21 1.35 0.05 0.00 -2.96 0.00 0.00 64.34 62.57 1wxl n VAL 32 Cb 0.56 -2.22 0.02 0.00 -1.06 0.00 0.00 33.84 31.14 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 0.45 -0.06 1.55 1.35 -2.00 -3.28 112.91 110.92 1wxl h THR 33 Ca 0.69 -1.71 -0.18 0.00 -0.55 0.00 0.00 66.41 64.65 1wxl h THR 33 Cb 2.32 2.07 -0.01 0.00 -1.73 0.00 0.00 68.15 70.80 1wxl h THR 33 CO -0.30 0.26 -0.75 -0.08 -0.25 0.00 0.00 175.52 174.40 1wxl h GLU 34 N 0.00 0.34 -0.58 4.72 4.81 0.23 -2.70 114.58 121.39 1wxl h GLU 34 Ca -0.05 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1wxl h GLU 34 Cb 1.30 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.72 1wxl h GLU 34 CO 0.04 0.94 0.36 0.82 -0.73 0.00 0.00 179.01 180.44 1wxl h ILE 35 N 0.23 1.16 0.00 2.32 2.04 -1.52 0.32 117.51 122.06 1wxl h ILE 35 Ca -0.03 -0.34 -0.06 0.00 1.00 0.00 0.00 64.86 65.43 1wxl h ILE 35 Cb 1.33 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 1wxl h ILE 35 CO 0.12 0.16 -0.29 0.00 0.00 0.00 0.00 178.15 178.15 1wxl h ALA 36 N 1.19 1.27 0.00 1.87 0.00 -1.59 -1.66 119.26 120.33 1wxl h ALA 36 Ca 0.21 -0.26 -0.20 0.00 0.00 0.00 0.00 54.91 54.66 1wxl h ALA 36 Cb -0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1wxl h ALA 36 CO -0.04 0.36 -1.25 1.17 0.00 0.00 0.00 179.25 179.48 1wxl n LYS 37 N -3.82 0.54 0.00 0.00 3.00 -0.83 -3.49 118.16 113.56 1wxl n LYS 37 Ca -0.01 0.52 0.06 0.00 -0.00 0.00 0.00 58.31 58.87 1wxl n LYS 37 Cb 0.37 -1.69 0.26 0.00 0.00 0.00 0.00 35.03 33.97 1wxl n LYS 37 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1wxl n LYS 38 N -4.45 0.02 -0.02 1.64 -0.00 0.11 -2.43 118.16 113.02 1wxl n LYS 38 Ca -0.29 0.28 -0.21 0.00 -0.00 0.00 0.00 58.31 58.08 1wxl n LYS 38 Cb 0.61 -1.50 -0.13 0.00 -0.00 0.00 0.00 35.03 34.01 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 2.07 0.21 0.39 2.58 0.00 -1.46 -3.32 103.07 103.54 1wxl h GLY 39 Ca 0.00 -0.54 0.11 0.00 0.00 0.00 0.00 47.33 46.91 1wxl h GLY 39 CO 0.00 0.47 0.42 -1.33 0.00 0.00 0.00 176.54 176.09 1wxl h GLY 40 N 0.11 1.24 0.51 4.60 0.00 -1.51 0.97 103.07 108.99 1wxl h GLY 40 Ca -0.35 -0.26 0.07 0.00 0.00 0.00 0.00 47.33 46.79 1wxl h GLY 40 CO -0.01 0.04 0.15 1.05 0.00 0.00 0.00 176.54 177.77 1wxl h GLU 41 N 0.66 0.30 -0.07 4.80 4.11 -1.69 0.15 114.58 122.84 1wxl h GLU 41 Ca 0.41 -0.02 -0.21 0.00 0.07 0.00 0.00 59.36 59.61 1wxl h GLU 41 Cb 0.48 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1wxl h GLU 41 CO -0.30 0.20 -0.82 0.00 0.07 0.00 0.00 179.01 178.16 1wxl h MET 42 N 0.31 0.52 0.23 1.06 -0.00 -1.30 -3.29 114.93 112.46 1wxl h MET 42 Ca 0.23 -0.47 -0.01 0.00 -0.00 0.00 0.00 59.70 59.45 1wxl h MET 42 Cb 0.26 0.11 -0.00 0.00 -0.00 0.00 0.00 31.60 31.97 1wxl h MET 42 CO -0.25 1.10 -0.13 2.35 -0.00 0.00 0.00 176.91 179.97 1wxl h TRP 43 N 0.34 -0.34 -0.25 -0.10 2.91 0.16 -1.83 115.95 116.84 1wxl h TRP 43 Ca -0.06 -0.01 0.07 0.00 1.13 0.00 0.00 58.89 60.03 1wxl h TRP 43 Cb 1.42 0.12 -0.01 0.00 -0.51 0.00 0.00 29.16 30.18 1wxl h TRP 43 CO 0.06 -0.21 0.36 0.87 -1.03 0.00 0.00 178.44 178.49 1wxl h LYS 44 N -0.34 0.00 -1.17 2.65 6.56 -0.80 -1.13 116.57 122.34 1wxl h LYS 44 Ca -0.03 0.00 -0.58 0.00 -1.06 0.00 0.00 60.65 58.98 1wxl h LYS 44 Cb 0.28 0.00 -0.42 0.00 -0.57 0.00 0.00 32.23 31.52 1wxl h LYS 44 CO 0.03 0.00 -0.67 -0.85 -2.06 0.00 0.00 179.45 175.91 1wxl n GLU 45 N -3.49 3.47 -4.41 3.15 0.28 -0.73 -5.02 120.64 113.89 1wxl n GLU 45 Ca 0.03 -4.29 -0.19 0.00 -0.16 0.00 0.00 57.16 52.56 1wxl n GLU 45 Cb 0.49 -2.27 -0.15 0.00 1.43 0.00 0.00 31.44 30.95 1wxl n GLU 45 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1wxl s LEU 46 N -3.59 2.04 -0.09 -1.84 0.20 -0.43 -4.97 118.68 110.01 1wxl s LEU 46 Ca 0.50 -0.23 0.09 0.00 0.69 0.00 0.00 54.13 55.18 1wxl s LEU 46 Cb 0.41 -0.52 0.42 0.00 -0.43 0.00 0.00 46.19 46.06 1wxl s LEU 46 CO -0.09 0.10 1.21 0.29 -0.29 0.00 0.00 176.35 177.58 1wxl n LYS 47 N 2.68 2.74 -0.00 1.98 4.01 -1.26 -3.24 118.16 125.06 1wxl n LYS 47 Ca -0.14 -1.62 0.09 0.00 -0.51 0.00 0.00 58.31 56.12 1wxl n LYS 47 Cb 0.56 -1.72 -0.11 0.00 -0.51 0.00 0.00 35.03 33.25 1wxl n LYS 47 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1wxl n ASP 48 N 0.44 0.84 0.13 4.39 9.92 -1.26 -4.20 116.55 126.81 1wxl n ASP 48 Ca 0.14 -0.86 0.01 0.00 -0.53 0.00 0.00 54.79 53.56 1wxl n ASP 48 Cb 0.63 1.06 0.02 0.00 -0.64 0.00 0.00 41.12 42.19 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 1.03 116.57 117.61 1wxl h LYS 49 Ca 0.00 0.00 -0.11 0.00 -2.81 0.00 0.00 60.65 57.73 1wxl h LYS 49 Cb 0.46 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.67 1wxl h LYS 49 CO 0.00 0.58 -0.51 1.03 -2.81 0.00 0.00 179.45 177.74 1wxl h SER 50 N 0.00 0.00 0.16 4.20 0.87 -1.78 1.51 113.55 118.51 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 1.42 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.38 1wxl h SER 50 CO 0.08 0.51 -1.50 2.29 -0.53 0.00 0.00 176.83 177.68 1wxl n LYS 51 N -3.89 0.42 -0.13 2.24 2.85 -1.12 -4.01 118.16 114.52 1wxl n LYS 51 Ca -0.01 -0.09 -0.22 0.00 -1.05 0.00 0.00 58.31 56.93 1wxl n LYS 51 Cb 0.53 -1.55 -0.11 0.00 -0.65 0.00 0.00 35.03 33.25 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 -2.05 0.00 0.14 5.58 5.03 0.35 -4.18 117.44 122.32 1wxl n TRP 52 Ca -0.01 0.00 0.12 0.00 3.03 0.00 0.00 57.50 60.65 1wxl n TRP 52 Cb 0.48 -0.95 0.64 0.00 -1.03 0.00 0.00 31.31 30.45 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 -0.42 0.05 0.00 -0.99 -0.00 0.20 0.25 114.58 113.67 1wxl h GLU 53 Ca -0.60 -0.00 -0.09 0.00 -0.00 0.00 0.00 59.36 58.67 1wxl h GLU 53 Cb 1.74 -0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 30.46 1wxl h GLU 53 CO -0.23 0.03 -0.41 -0.44 -0.00 0.00 0.00 179.01 177.97 1wxl h ASP 54 N 0.05 0.00 -0.81 3.06 3.32 -1.70 -2.03 116.42 118.32 1wxl h ASP 54 Ca 0.11 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 1wxl h ASP 54 Cb 0.38 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.89 1wxl h ASP 54 CO -0.01 0.41 0.41 0.00 -1.72 0.00 0.00 179.24 178.33 1wxl h ALA 55 N 1.59 1.04 -0.16 3.45 0.00 -0.67 0.32 119.26 124.84 1wxl h ALA 55 Ca -0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1wxl h ALA 55 Cb 0.74 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1wxl h ALA 55 CO 0.05 0.58 0.09 0.00 0.00 0.00 0.00 179.25 179.97 1wxl h ALA 56 N 1.22 0.20 0.00 0.00 0.00 -1.22 1.05 119.26 120.50 1wxl h ALA 56 Ca 0.28 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 1wxl h ALA 56 Cb 0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1wxl h ALA 56 CO -0.04 -0.27 -0.60 0.00 0.00 0.00 0.00 179.25 178.34 1wxl h ALA 57 N 0.99 1.01 0.05 0.00 0.00 -1.22 0.36 119.26 120.44 1wxl h ALA 57 Ca 0.06 -0.54 -0.23 0.00 0.00 0.00 0.00 54.91 54.19 1wxl h ALA 57 Cb 0.05 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1wxl h ALA 57 CO -0.01 0.75 -1.03 1.57 0.00 0.00 0.00 179.25 180.52 1wxl h LYS 58 N 0.00 0.29 0.02 0.00 2.10 -0.03 -2.46 116.57 116.49 1wxl h LYS 58 Ca -0.01 -0.38 -0.26 0.00 -2.00 0.00 0.00 60.65 58.00 1wxl h LYS 58 Cb 1.06 0.12 -0.04 0.00 -0.90 0.00 0.00 32.23 32.48 1wxl h LYS 58 CO 0.08 1.10 -1.41 0.22 -2.00 0.00 0.00 179.45 177.44 1wxl h ASP 59 N 0.14 0.07 -0.13 7.07 3.58 0.13 -2.37 116.42 124.90 1wxl h ASP 59 Ca -0.09 -0.10 -0.06 0.00 0.42 0.00 0.00 57.03 57.20 1wxl h ASP 59 Cb 1.70 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 42.73 1wxl h ASP 59 CO 0.17 1.09 -0.14 0.50 -2.88 0.00 0.00 179.24 177.98 1wxl h LYS 60 N 0.01 0.33 -0.10 0.28 3.11 -0.36 0.43 116.57 120.26 1wxl h LYS 60 Ca -0.18 -0.17 -0.12 0.00 -2.81 0.00 0.00 60.65 57.37 1wxl h LYS 60 Cb 1.92 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 33.15 1wxl h LYS 60 CO 0.11 0.72 -0.48 0.37 -2.81 0.00 0.00 179.45 177.36 1wxl h GLN 61 N -0.06 0.26 0.00 1.90 5.75 -1.58 -0.48 115.11 120.90 1wxl h GLN 61 Ca 0.02 -0.14 0.00 0.00 -0.15 0.00 0.00 58.65 58.38 1wxl h GLN 61 Cb 0.67 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.22 1wxl h GLN 61 CO 0.03 0.69 -0.39 -0.09 -2.65 0.00 0.00 178.83 176.42 1wxl h ARG 62 N 0.21 0.00 0.11 1.69 2.43 -1.33 -2.44 114.38 115.05 1wxl h ARG 62 Ca 0.01 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.83 1wxl h ARG 62 Cb 0.93 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.46 1wxl h ARG 62 CO 0.08 0.00 -1.94 0.66 -1.51 0.00 0.00 179.97 177.26 1wxl n TYR 63 N -2.74 1.22 0.19 2.20 4.02 0.15 -3.00 117.16 119.20 1wxl n TYR 63 Ca 0.03 0.28 0.04 0.00 -0.01 0.00 0.00 57.90 58.24 1wxl n TYR 63 Cb 0.51 -1.16 0.36 0.00 -0.02 0.00 0.00 39.34 39.04 1wxl n TYR 63 CO 0.00 0.00 0.00 1.12 -1.01 0.00 0.00 176.86 176.97 1wxl h HIS 64 N -0.03 0.00 0.00 -0.72 2.07 -1.21 5.28 115.15 120.53 1wxl h HIS 64 Ca -0.42 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.10 1wxl h HIS 64 Cb 1.96 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.94 1wxl h HIS 64 CO 0.08 0.39 0.00 -0.25 -3.07 0.00 0.00 177.93 175.08 1wxl n ASP 65 N -3.80 0.00 0.00 3.10 9.92 -0.92 -1.78 116.55 123.07 1wxl n ASP 65 Ca -0.01 0.34 0.00 0.00 -0.53 0.00 0.00 54.79 54.59 1wxl n ASP 65 Cb 0.46 -0.44 0.00 0.00 -0.64 0.00 0.00 41.12 40.49 1wxl n ASP 65 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1wxl n GLU 66 N -1.44 0.00 -0.43 -1.24 -0.58 -0.79 -4.62 120.64 111.52 1wxl n GLU 66 Ca 0.08 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.78 1wxl n GLU 66 Cb 0.28 -0.14 0.12 0.00 -0.57 0.00 0.00 31.44 31.13 1wxl n GLU 66 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1wxl n MET 67 N -2.07 2.02 0.10 3.49 2.81 1.71 -2.49 117.12 122.69 1wxl n MET 67 Ca 0.00 -1.25 0.00 0.00 -1.81 0.00 0.00 57.70 54.64 1wxl n MET 67 Cb 0.00 -1.64 0.00 0.00 -0.71 0.00 0.00 33.22 30.87 1wxl n MET 67 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1wxl n ARG 68 N 0.03 0.00 -0.34 0.03 0.63 -0.42 -4.46 116.66 112.14 1wxl n ARG 68 Ca 0.18 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 57.14 1wxl n ARG 68 Cb 0.81 0.00 0.10 0.00 0.45 0.00 0.00 32.46 33.82 1wxl n ARG 68 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1wxl n ASN 69 N -3.08 -0.43 0.20 6.15 5.03 -0.74 0.10 115.26 122.50 1wxl n ASN 69 Ca 0.00 1.60 -0.15 0.00 0.87 0.00 0.00 54.58 56.90 1wxl n ASN 69 Cb 0.00 -0.44 -0.08 0.00 -1.02 0.00 0.00 39.78 38.24 1wxl n ASN 69 CO 0.00 0.00 0.00 1.88 -1.83 0.00 0.00 177.26 177.31 1wxl h TYR 70 N 0.00 -0.43 -3.87 3.10 -1.99 -1.80 -3.43 116.97 108.55 1wxl h TYR 70 Ca 0.40 -0.01 -0.55 0.00 2.00 0.00 0.00 58.73 60.57 1wxl h TYR 70 Cb 0.63 0.14 0.13 0.00 2.00 0.00 0.00 36.73 39.64 1wxl h TYR 70 CO -0.75 -0.19 0.59 1.17 -0.00 0.00 0.00 178.16 178.98 1wxl n LYS 71 N -5.24 1.90 -0.04 4.88 4.81 0.29 -4.94 118.16 119.81 1wxl n LYS 71 Ca -0.10 0.69 -0.15 0.00 -0.87 0.00 0.00 58.31 57.88 1wxl n LYS 71 Cb 0.23 -2.53 -0.08 0.00 0.02 0.00 0.00 35.03 32.67 1wxl n LYS 71 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1wxl h PRO 72 N 1.83 0.45 0.00 1.64 0.13 -1.84 -3.45 132.00 130.74 1wxl h PRO 72 Ca -0.50 -0.31 -0.11 0.00 -0.87 0.00 0.00 66.00 64.21 1wxl h PRO 72 Cb 1.29 0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.45 1wxl h PRO 72 CO 0.59 0.93 -0.01 -0.85 -0.23 0.00 0.00 178.00 178.42 1wxl n GLU 73 N -4.37 0.42 0.00 0.86 0.28 -1.26 -5.10 120.64 111.47 1wxl n GLU 73 Ca -0.07 -1.34 0.14 0.00 -0.16 0.00 0.00 57.16 55.73 1wxl n GLU 73 Cb 0.50 1.38 0.48 0.00 1.43 0.00 0.00 31.44 35.23 1wxl n GLU 73 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97