#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 -1.34 -3.58 7.33 -0.00 -1.26 -5.14 115.22 111.22 1wxl n HIS 3 Ca 0.00 -0.81 -0.39 0.00 -0.00 0.00 0.00 57.72 56.52 1wxl n HIS 3 Cb 0.00 1.17 -0.11 0.00 -0.00 0.00 0.00 29.99 31.05 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 0.93 3.66 0.00 -0.41 -1.94 -1.26 -5.09 119.30 115.19 1wxl s MET 4 Ca 0.25 -0.52 0.00 0.00 -1.71 0.00 0.00 55.69 53.71 1wxl s MET 4 Cb 0.11 -3.69 0.00 0.00 2.01 0.00 0.00 34.83 33.26 1wxl s MET 4 CO -0.10 -0.32 0.00 -0.35 -0.01 0.00 0.00 175.02 174.24 1wxl n PRO 5 N 5.06 2.65 -3.23 2.03 -0.04 -1.26 -4.78 135.00 135.43 1wxl n PRO 5 Ca -0.14 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.26 1wxl n PRO 5 Cb 0.51 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.97 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 0.00 -1.41 -3.87 0.54 2.85 -1.26 -4.82 118.16 110.19 1wxl n LYS 6 Ca 0.00 1.29 -0.00 0.00 -1.05 0.00 0.00 58.31 58.55 1wxl n LYS 6 Cb 0.00 -5.07 0.01 0.00 -0.65 0.00 0.00 35.03 29.32 1wxl n LYS 6 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 177.40 176.37 1wxl s ARG 7 N -3.54 0.83 0.00 -1.58 1.70 -1.26 -4.87 118.95 110.22 1wxl s ARG 7 Ca 0.04 -0.52 0.00 0.00 -0.47 0.00 0.00 55.73 54.78 1wxl s ARG 7 Cb -0.01 0.24 0.00 0.00 -0.57 0.00 0.00 34.95 34.61 1wxl s ARG 7 CO 0.78 -0.39 0.00 0.00 -1.08 0.00 0.00 175.30 174.61 1wxl n ALA 8 N -0.73 0.00 -2.81 7.88 0.00 -1.26 -3.93 120.51 119.66 1wxl n ALA 8 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.08 1wxl n ALA 8 Cb 0.60 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.95 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 -3.00 4.61 0.58 0.00 -4.23 -1.26 -4.95 115.64 107.39 1wxl s THR 9 Ca 0.00 -0.11 -0.18 0.00 -1.18 0.00 0.00 61.69 60.22 1wxl s THR 9 Cb 0.00 -3.03 -0.04 0.00 1.34 0.00 0.00 72.50 70.77 1wxl s THR 9 CO 0.00 0.52 1.11 0.42 -0.54 0.00 0.00 174.62 176.14 1wxl s THR 10 N -0.15 3.27 0.30 3.99 -4.23 -1.26 -3.92 115.64 113.64 1wxl s THR 10 Ca 0.06 0.72 0.04 0.00 -1.18 0.00 0.00 61.69 61.33 1wxl s THR 10 Cb -0.12 -3.25 0.33 0.00 1.34 0.00 0.00 72.50 70.80 1wxl s THR 10 CO 0.02 -0.24 1.63 0.00 -0.54 0.00 0.00 174.62 175.48 1wxl h ALA 11 N 0.84 1.37 0.00 3.99 0.00 -1.86 1.56 119.26 125.16 1wxl h ALA 11 Ca -0.49 0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 1wxl h ALA 11 Cb 1.25 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 1wxl h ALA 11 CO 0.56 -0.53 -0.28 0.35 0.00 0.00 0.00 179.25 179.35 1wxl h PHE 12 N 0.16 0.00 0.00 0.00 3.57 -1.94 -2.88 116.94 115.85 1wxl h PHE 12 Ca 0.60 0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.10 1wxl h PHE 12 Cb 1.26 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.00 1wxl h PHE 12 CO -0.27 0.28 -0.05 1.98 -2.23 0.00 0.00 178.31 178.02 1wxl h MET 13 N 0.00 0.00 -1.23 1.11 4.05 0.17 -1.98 114.93 117.05 1wxl h MET 13 Ca -0.00 0.00 0.36 0.00 -0.28 0.00 0.00 59.70 59.78 1wxl h MET 13 Cb 0.73 0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 31.44 1wxl h MET 13 CO 0.04 0.00 0.82 1.37 0.23 0.00 0.00 176.91 179.37 1wxl h LEU 14 N -0.24 0.25 0.13 3.39 -0.00 -0.60 1.05 115.31 119.28 1wxl h LEU 14 Ca 0.00 0.08 -0.23 0.00 -0.00 0.00 0.00 57.88 57.72 1wxl h LEU 14 Cb 0.05 0.05 0.01 0.00 -0.00 0.00 0.00 40.66 40.77 1wxl h LEU 14 CO 0.00 -0.03 -1.13 -0.25 -0.00 0.00 0.00 178.44 177.04 1wxl h TRP 15 N 0.18 0.50 0.00 0.17 7.01 -1.67 -3.11 115.95 119.03 1wxl h TRP 15 Ca 0.68 -0.36 0.00 0.00 2.11 0.00 0.00 58.89 61.32 1wxl h TRP 15 Cb 2.17 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 29.21 1wxl h TRP 15 CO -0.00 1.44 0.00 1.25 -2.79 0.00 0.00 178.44 178.33 1wxl h LEU 16 N -0.34 0.00 0.13 0.65 5.85 0.16 0.76 115.31 122.53 1wxl h LEU 16 Ca -0.23 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 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 0.10 0.00 -0.06 -1.13 -0.34 0.00 0.00 178.44 177.01 1wxl h ASN 17 N 0.00 -0.15 1.14 1.25 -0.73 0.97 4.10 115.58 122.16 1wxl h ASN 17 Ca 0.00 -0.41 -0.07 0.00 1.87 0.00 0.00 56.30 57.70 1wxl h ASN 17 Cb 0.14 0.04 -0.01 0.00 0.27 0.00 0.00 38.32 38.76 1wxl h ASN 17 CO 0.00 0.43 -0.32 -0.78 -0.37 0.00 0.00 177.43 176.39 1wxl h ASP 18 N -0.84 0.00 0.00 1.15 1.82 -1.32 -3.16 116.42 114.07 1wxl h ASP 18 Ca -0.02 0.00 -0.09 0.00 -0.39 0.00 0.00 57.03 56.53 1wxl h ASP 18 Cb 0.55 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.54 1wxl h ASP 18 CO 0.03 0.32 -1.95 0.41 -1.61 0.00 0.00 179.24 176.44 1wxl n THR 19 N -3.35 0.35 -0.30 2.25 -1.04 0.26 -4.01 114.28 108.44 1wxl n THR 19 Ca 0.01 -0.52 0.10 0.00 -2.04 0.00 0.00 64.05 61.60 1wxl n THR 19 Cb 0.54 -0.11 0.32 0.00 -1.82 0.00 0.00 70.33 69.27 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 0.79 -0.65 -2.82 2.43 0.80 1.85 114.38 116.77 1wxl h ARG 20 Ca -0.14 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 58.92 1wxl h ARG 20 Cb 1.21 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.55 1wxl h ARG 20 CO 0.01 0.52 0.14 1.05 -1.51 0.00 0.00 179.97 180.18 1wxl h GLU 21 N 0.81 1.05 0.00 0.20 4.11 -1.71 -1.94 114.58 117.10 1wxl h GLU 21 Ca 0.46 -0.25 0.00 0.00 0.07 0.00 0.00 59.36 59.64 1wxl h GLU 21 Cb 0.60 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1wxl h GLU 21 CO -0.22 0.94 0.00 0.77 0.07 0.00 0.00 179.01 180.57 1wxl h SER 22 N 0.99 0.00 0.08 3.06 0.02 0.24 -2.90 113.55 115.04 1wxl h SER 22 Ca 0.21 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.91 1wxl h SER 22 Cb 0.38 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1wxl h SER 22 CO 0.01 0.00 -1.27 0.40 -1.14 0.00 0.00 176.83 174.83 1wxl h ILE 23 N 0.00 1.07 -0.13 3.27 2.04 0.96 -2.70 117.51 122.02 1wxl h ILE 23 Ca 0.00 -2.35 -0.04 0.00 1.00 0.00 0.00 64.86 63.46 1wxl h ILE 23 Cb 0.43 2.68 -0.01 0.00 -0.74 0.00 0.00 36.82 39.17 1wxl h ILE 23 CO 0.00 0.63 -0.12 0.50 0.00 0.00 0.00 178.15 179.15 1wxl h LYS 24 N -0.49 0.20 -0.22 2.37 1.63 -1.40 0.13 116.57 118.79 1wxl h LYS 24 Ca -0.29 -0.04 -0.20 0.00 -0.85 0.00 0.00 60.65 59.27 1wxl h LYS 24 Cb 1.61 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 33.22 1wxl h LYS 24 CO 0.00 0.33 -0.66 0.07 -3.45 0.00 0.00 179.45 175.75 1wxl h ARG 25 N 0.19 0.82 0.00 1.90 0.11 -1.64 0.25 114.38 116.01 1wxl h ARG 25 Ca 0.04 -0.59 0.00 0.00 0.10 0.00 0.00 59.98 59.53 1wxl h ARG 25 Cb 0.34 0.10 0.00 0.00 1.11 0.00 0.00 29.97 31.52 1wxl h ARG 25 CO 0.02 1.21 0.00 0.39 0.10 0.00 0.00 179.97 181.69 1wxl n GLU 26 N -3.97 0.17 -2.88 0.08 -0.58 -0.55 -3.81 120.64 109.11 1wxl n GLU 26 Ca -0.06 0.50 -0.09 0.00 -0.42 0.00 0.00 57.16 57.10 1wxl n GLU 26 Cb 0.69 -1.89 -0.01 0.00 -0.57 0.00 0.00 31.44 29.65 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 -2.22 -2.86 -2.26 1.62 3.02 0.34 -5.04 115.26 107.86 1wxl n ASN 27 Ca 0.01 -2.84 -0.06 0.00 -0.03 0.00 0.00 54.58 51.66 1wxl n ASN 27 Cb 0.15 1.31 -0.08 0.00 -0.61 0.00 0.00 39.78 40.55 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 2.84 0.97 -0.07 3.52 -0.04 0.83 -2.43 135.00 140.62 1wxl n PRO 28 Ca 0.20 -0.49 0.00 0.00 -0.04 0.00 0.00 63.50 63.17 1wxl n PRO 28 Cb 0.55 -1.74 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 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 0.43 0.00 0.55 0.00 -1.26 -5.09 105.19 102.57 1wxl n GLY 29 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.02 -5.12 119.36 103.46 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 0.21 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 38.02 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 0.75 0.54 0.34 6.28 -2.85 -1.26 -5.00 119.74 118.54 1wxl s LYS 31 Ca 0.00 -0.16 0.26 0.00 -1.00 0.00 0.00 55.97 55.07 1wxl s LYS 31 Cb 0.00 0.24 1.15 0.00 -2.06 0.00 0.00 37.83 37.16 1wxl s LYS 31 CO 0.00 -0.13 1.18 1.55 0.10 0.00 0.00 175.35 178.05 1wxl n VAL 32 N 1.64 -0.17 0.13 1.79 3.14 -1.26 0.25 118.33 123.86 1wxl n VAL 32 Ca -0.20 1.35 0.06 0.00 -2.96 0.00 0.00 64.34 62.58 1wxl n VAL 32 Cb 0.56 -2.21 0.04 0.00 -1.06 0.00 0.00 33.84 31.17 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 0.40 -0.07 1.55 1.35 -2.00 -3.29 112.91 110.85 1wxl h THR 33 Ca 0.67 -1.63 -0.18 0.00 -0.55 0.00 0.00 66.41 64.73 1wxl h THR 33 Cb 2.22 2.06 -0.01 0.00 -1.73 0.00 0.00 68.15 70.69 1wxl h THR 33 CO -0.32 0.23 -0.72 -0.08 -0.25 0.00 0.00 175.52 174.38 1wxl h GLU 34 N 0.00 0.35 -0.59 4.72 4.81 0.30 -2.72 114.58 121.45 1wxl h GLU 34 Ca -0.03 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 1wxl h GLU 34 Cb 1.25 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.66 1wxl h GLU 34 CO 0.03 0.93 0.37 0.82 -0.73 0.00 0.00 179.01 180.43 1wxl h ILE 35 N 0.24 1.16 0.00 2.32 2.04 -1.53 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 1.28 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 1wxl h ILE 35 CO 0.12 0.17 -0.30 0.00 0.00 0.00 0.00 178.15 178.13 1wxl h ALA 36 N 1.19 1.31 0.00 1.87 0.00 -1.61 -1.61 119.26 120.42 1wxl h ALA 36 Ca 0.21 -0.27 -0.21 0.00 0.00 0.00 0.00 54.91 54.64 1wxl h ALA 36 Cb -0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1wxl h ALA 36 CO -0.04 0.38 -1.25 1.17 0.00 0.00 0.00 179.25 179.50 1wxl n LYS 37 N -3.90 0.55 0.00 0.00 3.00 -0.84 -3.61 118.16 113.37 1wxl n LYS 37 Ca -0.02 0.54 0.07 0.00 -0.00 0.00 0.00 58.31 58.90 1wxl n LYS 37 Cb 0.37 -1.71 0.33 0.00 0.00 0.00 0.00 35.03 34.02 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 0.10 -0.02 1.64 -0.00 0.11 -2.53 118.16 113.02 1wxl n LYS 38 Ca -0.30 0.21 -0.21 0.00 -0.00 0.00 0.00 58.31 58.00 1wxl n LYS 38 Cb 0.63 -1.50 -0.13 0.00 -0.00 0.00 0.00 35.03 34.03 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 2.41 0.21 0.71 2.58 0.00 -1.44 -3.31 103.07 104.23 1wxl h GLY 39 Ca 0.00 -0.55 0.07 0.00 0.00 0.00 0.00 47.33 46.85 1wxl h GLY 39 CO 0.00 0.48 0.60 -1.33 0.00 0.00 0.00 176.54 176.29 1wxl h GLY 40 N -0.08 1.44 0.63 4.60 0.00 -1.55 0.96 103.07 109.08 1wxl h GLY 40 Ca -0.31 -0.43 0.05 0.00 0.00 0.00 0.00 47.33 46.64 1wxl h GLY 40 CO 0.01 0.29 0.18 1.05 0.00 0.00 0.00 176.54 178.07 1wxl h GLU 41 N 1.08 0.35 -0.02 4.80 4.11 -1.68 0.20 114.58 123.42 1wxl h GLU 41 Ca 0.41 -0.02 -0.24 0.00 0.07 0.00 0.00 59.36 59.58 1wxl h GLU 41 Cb 0.19 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.37 1wxl h GLU 41 CO -0.18 0.23 -0.96 0.00 0.07 0.00 0.00 179.01 178.17 1wxl h MET 42 N 0.36 0.60 -0.05 1.06 -0.00 -1.42 -3.30 114.93 112.17 1wxl h MET 42 Ca 0.21 -0.62 0.00 0.00 -0.00 0.00 0.00 59.70 59.29 1wxl h MET 42 Cb 0.18 0.17 -0.00 0.00 -0.00 0.00 0.00 31.60 31.95 1wxl h MET 42 CO -0.20 1.23 0.04 2.35 -0.00 0.00 0.00 176.91 180.33 1wxl h TRP 43 N 0.35 0.07 -0.96 -0.10 2.91 0.14 -2.89 115.95 115.47 1wxl h TRP 43 Ca -0.10 0.00 0.20 0.00 1.13 0.00 0.00 58.89 60.12 1wxl h TRP 43 Cb 1.60 -0.02 -0.18 0.00 -0.51 0.00 0.00 29.16 30.05 1wxl h TRP 43 CO 0.08 0.04 -0.22 0.87 -1.03 0.00 0.00 178.44 178.19 1wxl h LYS 44 N 0.07 0.00 -1.95 2.65 1.79 -0.69 0.24 116.57 118.68 1wxl h LYS 44 Ca 0.02 -0.00 -0.74 0.00 -2.18 0.00 0.00 60.65 57.75 1wxl h LYS 44 Cb -0.01 -0.00 -0.30 0.00 -1.58 0.00 0.00 32.23 30.34 1wxl h LYS 44 CO -0.00 0.00 0.75 -0.85 -1.08 0.00 0.00 179.45 178.27 1wxl n GLU 45 N -5.60 3.11 -4.04 3.15 0.28 -1.10 -4.98 120.64 111.47 1wxl n GLU 45 Ca 0.16 -3.81 -0.34 0.00 -0.16 0.00 0.00 57.16 53.00 1wxl n GLU 45 Cb 0.50 -2.28 -0.10 0.00 1.43 0.00 0.00 31.44 30.99 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 -4.01 3.77 0.00 -1.84 2.96 0.83 -4.97 118.68 115.42 1wxl s LEU 46 Ca 0.50 0.07 0.28 0.00 -0.22 0.00 0.00 54.13 54.76 1wxl s LEU 46 Cb 0.41 -1.95 1.14 0.00 0.50 0.00 0.00 46.19 46.29 1wxl s LEU 46 CO -0.35 0.18 1.80 1.17 -1.32 0.00 0.00 176.35 177.82 1wxl n LYS 47 N 3.52 1.07 0.00 1.98 3.00 -1.26 -2.57 118.16 123.91 1wxl n LYS 47 Ca -0.17 -0.50 0.11 0.00 -0.00 0.00 0.00 58.31 57.75 1wxl n LYS 47 Cb 0.52 -1.49 0.02 0.00 0.00 0.00 0.00 35.03 34.09 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 -0.53 2.27 0.11 3.14 9.92 -1.26 -4.10 116.55 126.11 1wxl n ASP 48 Ca 0.17 -1.64 -0.01 0.00 -0.53 0.00 0.00 54.79 52.78 1wxl n ASP 48 Cb 0.30 0.35 0.01 0.00 -0.64 0.00 0.00 41.12 41.13 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 3.01 0.00 -0.03 -1.24 3.64 -1.83 1.09 116.57 121.21 1wxl h LYS 49 Ca 0.00 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 1wxl h LYS 49 Cb 0.81 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 1wxl h LYS 49 CO 0.00 0.68 -0.54 1.03 -2.27 0.00 0.00 179.45 178.35 1wxl h SER 50 N 0.00 0.09 0.03 4.20 0.87 -1.71 1.42 113.55 118.45 1wxl h SER 50 Ca -0.01 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1wxl h SER 50 Cb 1.47 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.41 1wxl h SER 50 CO 0.09 0.62 -0.37 1.17 -0.53 0.00 0.00 176.83 177.80 1wxl n LYS 51 N -3.90 1.27 -0.00 2.24 0.00 -1.04 -4.33 118.16 112.39 1wxl n LYS 51 Ca -0.02 -1.00 -0.00 0.00 0.00 0.00 0.00 58.31 57.29 1wxl n LYS 51 Cb 0.56 -1.48 -0.00 0.00 0.00 0.00 0.00 35.03 34.11 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 0.01 0.00 0.12 5.64 7.02 0.37 -4.53 117.44 126.08 1wxl n TRP 52 Ca 0.11 0.00 0.19 0.00 -1.02 0.00 0.00 57.50 56.77 1wxl n TRP 52 Cb 0.46 -0.03 0.77 0.00 -2.42 0.00 0.00 31.31 30.09 1wxl n TRP 52 CO 0.00 0.00 0.00 1.05 -2.02 0.00 0.00 177.69 176.72 1wxl h GLU 53 N 0.00 0.00 0.00 -0.99 -0.00 0.18 0.75 114.58 114.51 1wxl h GLU 53 Ca -0.02 0.00 -0.10 0.00 -0.00 0.00 0.00 59.36 59.24 1wxl h GLU 53 Cb 1.03 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.76 1wxl h GLU 53 CO -0.00 0.00 -0.49 0.38 -0.00 0.00 0.00 179.01 178.89 1wxl h ASP 54 N 0.00 0.00 -0.74 3.06 2.03 -1.76 -2.88 116.42 116.13 1wxl h ASP 54 Ca 0.16 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.45 1wxl h ASP 54 Cb 0.81 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.27 1wxl h ASP 54 CO -0.00 0.49 0.45 0.00 -1.03 0.00 0.00 179.24 179.15 1wxl h ALA 55 N 1.51 0.95 -0.18 4.15 0.00 0.28 0.49 119.26 126.46 1wxl h ALA 55 Ca -0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1wxl h ALA 55 Cb 1.26 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1wxl h ALA 55 CO 0.06 0.42 -0.01 0.00 0.00 0.00 0.00 179.25 179.72 1wxl h ALA 56 N 1.24 0.24 -0.03 0.00 0.00 -1.42 0.57 119.26 119.85 1wxl h ALA 56 Ca 0.27 -0.21 -0.21 0.00 0.00 0.00 0.00 54.91 54.76 1wxl h ALA 56 Cb -0.04 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1wxl h ALA 56 CO -0.05 -0.04 -0.85 0.00 0.00 0.00 0.00 179.25 178.31 1wxl h ALA 57 N 0.77 0.47 -0.07 0.00 0.00 -1.38 -1.87 119.26 117.18 1wxl h ALA 57 Ca 0.05 -0.67 -0.18 0.00 0.00 0.00 0.00 54.91 54.11 1wxl h ALA 57 Cb 0.40 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1wxl h ALA 57 CO 0.01 0.80 -0.73 1.57 0.00 0.00 0.00 179.25 180.91 1wxl h LYS 58 N 0.24 0.36 0.01 0.00 2.10 -0.02 -2.99 116.57 116.27 1wxl h LYS 58 Ca -0.06 -0.30 -0.20 0.00 -2.00 0.00 0.00 60.65 58.10 1wxl h LYS 58 Cb 1.46 0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 32.83 1wxl h LYS 58 CO 0.14 0.94 -0.92 0.22 -2.00 0.00 0.00 179.45 177.84 1wxl h ASP 59 N 0.25 0.06 0.54 7.07 3.58 0.16 0.30 116.42 128.37 1wxl h ASP 59 Ca -0.03 -0.06 -0.05 0.00 0.42 0.00 0.00 57.03 57.31 1wxl h ASP 59 Cb 1.30 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.32 1wxl h ASP 59 CO 0.12 0.94 -0.25 0.07 -2.88 0.00 0.00 179.24 177.24 1wxl h LYS 60 N 0.02 0.00 0.00 0.28 5.09 -1.33 0.31 116.57 120.95 1wxl h LYS 60 Ca -0.02 0.00 -0.16 0.00 0.09 0.00 0.00 60.65 60.56 1wxl h LYS 60 Cb 1.61 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.91 1wxl h LYS 60 CO 0.12 0.25 -0.98 0.37 -2.09 0.00 0.00 179.45 177.13 1wxl h GLN 61 N 0.00 0.00 0.00 0.07 5.75 -1.39 -2.91 115.11 116.63 1wxl h GLN 61 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1wxl h GLN 61 Cb 0.59 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.14 1wxl h GLN 61 CO 0.03 0.78 0.00 -0.09 -2.65 0.00 0.00 178.83 176.91 1wxl h ARG 62 N -1.00 0.00 0.00 1.69 2.43 -0.38 0.33 114.38 117.45 1wxl h ARG 62 Ca -0.24 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.71 1wxl h ARG 62 Cb 1.09 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.61 1wxl h ARG 62 CO -0.15 0.00 -1.19 -0.92 -1.51 0.00 0.00 179.97 176.21 1wxl h TYR 63 N 0.00 0.00 0.00 2.20 5.03 -0.53 -2.78 116.97 120.90 1wxl h TYR 63 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1wxl h TYR 63 Cb 0.39 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.67 1wxl h TYR 63 CO 0.00 1.46 0.00 -2.39 -1.32 0.00 0.00 178.16 175.91 1wxl n HIS 64 N -4.44 0.47 0.25 -3.82 1.44 -1.10 0.17 115.22 108.18 1wxl n HIS 64 Ca -0.31 0.17 0.11 0.00 -2.01 0.00 0.00 57.72 55.68 1wxl n HIS 64 Cb 0.67 -0.78 -0.07 0.00 0.12 0.00 0.00 29.99 29.93 1wxl n HIS 64 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1wxl n ASP 65 N -1.92 0.45 0.00 4.39 2.03 0.12 -3.98 116.55 117.64 1wxl n ASP 65 Ca 0.04 -0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1wxl n ASP 65 Cb 0.26 1.22 0.00 0.00 -0.72 0.00 0.00 41.12 41.88 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 -2.23 0.00 0.02 -0.67 -0.58 -1.04 -4.78 120.64 111.36 1wxl n GLU 66 Ca -0.01 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.59 1wxl n GLU 66 Cb 0.51 -0.70 -0.04 0.00 -0.57 0.00 0.00 31.44 30.65 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 0.61 -0.78 3.49 2.86 0.15 -0.38 114.93 120.87 1wxl h MET 67 Ca 0.00 -0.53 0.23 0.00 -2.06 0.00 0.00 59.70 57.34 1wxl h MET 67 Cb 0.70 0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.45 1wxl h MET 67 CO 0.00 1.15 0.71 0.07 1.06 0.00 0.00 176.91 179.90 1wxl h ARG 68 N 0.40 0.00 -0.03 1.72 -0.00 -1.46 0.51 114.38 115.51 1wxl h ARG 68 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.92 1wxl h ARG 68 Cb 1.43 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.40 1wxl h ARG 68 CO 0.15 0.00 0.00 0.27 -0.00 0.00 0.00 179.97 180.39 1wxl n ASN 69 N -3.82 2.42 -4.48 0.08 2.04 -1.06 -4.78 115.26 105.65 1wxl n ASN 69 Ca 0.16 -2.80 -0.43 0.00 -0.44 0.00 0.00 54.58 51.07 1wxl n ASN 69 Cb 0.98 -0.34 -0.00 0.00 -2.53 0.00 0.00 39.78 37.90 1wxl n ASN 69 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1wxl n TYR 70 N -1.08 -0.00 -1.55 -2.53 4.11 0.18 -4.74 117.16 111.54 1wxl n TYR 70 Ca 0.13 0.68 -0.44 0.00 -0.00 0.00 0.00 57.90 58.26 1wxl n TYR 70 Cb 0.57 -2.06 -0.04 0.00 -0.00 0.00 0.00 39.34 37.81 1wxl n TYR 70 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.86 177.22 1wxl n LYS 71 N 0.67 1.60 -1.55 -3.48 2.85 -1.26 -4.81 118.16 112.18 1wxl n LYS 71 Ca 0.12 0.40 -0.13 0.00 -1.05 0.00 0.00 58.31 57.65 1wxl n LYS 71 Cb 0.36 -3.04 -0.11 0.00 -0.65 0.00 0.00 35.03 31.59 1wxl n LYS 71 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1wxl n PRO 72 N 8.65 0.20 -2.97 -1.58 -0.02 -1.26 -3.79 135.00 134.23 1wxl n PRO 72 Ca 0.34 -1.43 -0.13 0.00 -2.02 0.00 0.00 63.50 60.26 1wxl n PRO 72 Cb 0.40 -3.77 0.01 0.00 -0.02 0.00 0.00 33.50 30.13 1wxl n PRO 72 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1wxl n GLU 73 N 8.14 -2.33 0.00 -0.52 1.02 -1.26 -5.32 120.64 120.37 1wxl n GLU 73 Ca 0.41 2.02 0.05 0.00 -0.02 0.00 0.00 57.16 59.62 1wxl n GLU 73 Cb 0.46 -4.99 0.30 0.00 -0.02 0.00 0.00 31.44 27.18 1wxl n GLU 73 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31