#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 3.52 -3.63 0.66 8.25 -1.26 -5.03 115.22 117.74 1wxl n HIS 3 Ca 0.00 -4.08 -0.03 0.00 -0.26 0.00 0.00 57.72 53.35 1wxl n HIS 3 Cb 0.00 -0.65 -0.03 0.00 1.12 0.00 0.00 29.99 30.44 1wxl n HIS 3 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1wxl s MET 4 N -2.26 0.15 -0.62 -0.41 0.00 -1.26 -5.11 119.30 109.79 1wxl s MET 4 Ca 0.36 -0.03 -0.27 0.00 0.00 0.00 0.00 55.69 55.75 1wxl s MET 4 Cb 0.10 0.07 -0.02 0.00 0.00 0.00 0.00 34.83 34.98 1wxl s MET 4 CO -0.04 -0.06 1.79 -1.25 0.00 0.00 0.00 175.02 175.47 1wxl s PRO 5 N -1.85 2.71 -1.08 3.16 0.04 -1.26 -4.87 135.00 131.84 1wxl s PRO 5 Ca 0.10 0.54 -0.27 0.00 0.04 0.00 0.00 61.00 61.41 1wxl s PRO 5 Cb -0.01 -4.36 -0.23 0.00 0.04 0.00 0.00 34.50 29.94 1wxl s PRO 5 CO -0.04 -2.64 2.10 1.63 0.04 0.00 0.00 177.00 178.08 1wxl n LYS 6 N 9.18 0.20 -0.35 4.56 5.02 -1.26 -4.74 118.16 130.77 1wxl n LYS 6 Ca 0.19 -1.76 -0.20 0.00 -2.02 0.00 0.00 58.31 54.52 1wxl n LYS 6 Cb 0.52 -3.92 -0.05 0.00 -0.02 0.00 0.00 35.03 31.55 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 8.15 0.00 -0.24 1.97 3.00 -1.26 -4.76 116.66 123.52 1wxl n ARG 7 Ca 0.41 -0.64 0.03 0.00 -0.01 0.00 0.00 57.85 57.65 1wxl n ARG 7 Cb 0.47 -2.06 -0.01 0.00 0.00 0.00 0.00 32.46 30.86 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 6.45 -0.61 -2.39 7.54 0.00 -1.26 -4.06 120.51 126.18 1wxl n ALA 8 Ca 0.21 0.07 -0.29 0.00 0.00 0.00 0.00 53.44 53.44 1wxl n ALA 8 Cb 0.21 -0.21 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 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 -0.90 2.05 0.65 0.00 -4.23 -1.26 -4.91 115.64 107.04 1wxl s THR 9 Ca 0.00 -1.45 -0.15 0.00 -1.18 0.00 0.00 61.69 58.90 1wxl s THR 9 Cb 0.00 -1.78 -0.01 0.00 1.34 0.00 0.00 72.50 72.05 1wxl s THR 9 CO 0.00 0.24 1.11 0.42 -0.54 0.00 0.00 174.62 175.85 1wxl s THR 10 N -0.89 3.23 0.30 3.99 -4.23 -1.26 -3.84 115.64 112.94 1wxl s THR 10 Ca 0.11 0.59 0.04 0.00 -1.18 0.00 0.00 61.69 61.25 1wxl s THR 10 Cb -0.10 -3.12 0.32 0.00 1.34 0.00 0.00 72.50 70.94 1wxl s THR 10 CO 0.03 -0.33 1.64 0.00 -0.54 0.00 0.00 174.62 175.42 1wxl h ALA 11 N 0.16 1.38 -0.09 3.99 0.00 -1.88 0.77 119.26 123.59 1wxl h ALA 11 Ca -0.47 0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 1wxl h ALA 11 Cb 1.25 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 1wxl h ALA 11 CO 0.54 -0.50 -0.57 0.35 0.00 0.00 0.00 179.25 179.07 1wxl h PHE 12 N 0.21 0.35 0.19 0.00 3.04 -1.95 -2.50 116.94 116.28 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 1.22 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 39.67 1wxl h PHE 12 CO -0.24 0.78 -0.09 1.98 -2.02 0.00 0.00 178.31 178.73 1wxl h MET 13 N 0.21 -0.25 -0.73 1.11 4.05 -0.06 0.61 114.93 119.87 1wxl h MET 13 Ca -0.00 0.02 0.17 0.00 -0.28 0.00 0.00 59.70 59.60 1wxl h MET 13 Cb 1.07 0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 31.88 1wxl h MET 13 CO 0.09 -0.16 0.50 1.37 0.23 0.00 0.00 176.91 178.93 1wxl h LEU 14 N -1.04 0.25 0.10 3.39 -0.00 -0.20 1.02 115.31 118.84 1wxl h LEU 14 Ca -0.03 0.02 -0.16 0.00 -0.00 0.00 0.00 57.88 57.71 1wxl h LEU 14 Cb 0.20 -0.03 0.01 0.00 -0.00 0.00 0.00 40.66 40.84 1wxl h LEU 14 CO 0.04 0.12 -0.74 -0.25 -0.00 0.00 0.00 178.44 177.62 1wxl h TRP 15 N 0.26 0.40 0.00 0.17 7.01 -1.53 -2.95 115.95 119.31 1wxl h TRP 15 Ca 0.36 -0.29 0.00 0.00 2.11 0.00 0.00 58.89 61.06 1wxl h TRP 15 Cb 1.02 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 28.06 1wxl h TRP 15 CO -0.00 1.28 0.00 1.25 -2.79 0.00 0.00 178.44 178.18 1wxl h LEU 16 N -0.51 0.00 0.08 0.65 5.85 0.27 0.85 115.31 122.49 1wxl h LEU 16 Ca -0.14 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 1wxl h LEU 16 Cb 1.51 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.55 1wxl h LEU 16 CO 0.10 0.00 -0.04 -1.13 -0.34 0.00 0.00 178.44 177.03 1wxl h ASN 17 N 0.00 -0.09 1.09 1.25 -0.73 0.11 4.29 115.58 121.50 1wxl h ASN 17 Ca 0.00 -0.51 -0.08 0.00 1.87 0.00 0.00 56.30 57.58 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 0.54 -0.38 -0.78 -0.37 0.00 0.00 177.43 176.45 1wxl h ASP 18 N -0.80 0.00 0.00 1.15 1.82 -1.22 -3.18 116.42 114.18 1wxl h ASP 18 Ca -0.01 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.52 1wxl h ASP 18 Cb 0.60 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.59 1wxl h ASP 18 CO 0.02 0.38 -1.99 0.41 -1.61 0.00 0.00 179.24 176.45 1wxl n THR 19 N -3.39 0.42 -0.28 2.25 -1.04 0.29 -4.05 114.28 108.48 1wxl n THR 19 Ca 0.01 -0.54 0.10 0.00 -2.04 0.00 0.00 64.05 61.57 1wxl n THR 19 Cb 0.56 -0.14 0.34 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 0.75 -0.68 -2.82 2.43 0.84 1.81 114.38 116.71 1wxl h ARG 20 Ca -0.17 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 58.89 1wxl h ARG 20 Cb 1.30 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.65 1wxl h ARG 20 CO 0.01 0.50 0.16 1.05 -1.51 0.00 0.00 179.97 180.18 1wxl h GLU 21 N 0.77 1.08 0.00 0.20 4.11 -1.71 -2.03 114.58 117.01 1wxl h GLU 21 Ca 0.45 -0.26 -0.01 0.00 0.07 0.00 0.00 59.36 59.61 1wxl h GLU 21 Cb 0.62 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1wxl h GLU 21 CO -0.21 0.96 -0.04 0.77 0.07 0.00 0.00 179.01 180.56 1wxl h SER 22 N 1.03 0.00 0.15 3.06 0.02 0.22 -2.92 113.55 115.11 1wxl h SER 22 Ca 0.21 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.96 1wxl h SER 22 Cb 0.36 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.92 1wxl h SER 22 CO 0.00 0.04 -0.92 0.40 -1.14 0.00 0.00 176.83 175.20 1wxl h ILE 23 N 0.00 1.45 -0.00 3.27 2.04 0.11 -2.61 117.51 121.77 1wxl h ILE 23 Ca -0.00 -2.53 -0.06 0.00 1.00 0.00 0.00 64.86 63.26 1wxl h ILE 23 Cb 0.52 3.14 -0.01 0.00 -0.74 0.00 0.00 36.82 39.73 1wxl h ILE 23 CO 0.00 0.72 -0.29 0.50 0.00 0.00 0.00 178.15 179.09 1wxl h LYS 24 N -0.33 0.00 -0.33 2.37 1.63 -1.40 0.23 116.57 118.74 1wxl h LYS 24 Ca -0.17 -0.00 -0.13 0.00 -0.85 0.00 0.00 60.65 59.50 1wxl h LYS 24 Cb 1.69 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.31 1wxl h LYS 24 CO 0.15 0.29 -0.29 0.07 -3.45 0.00 0.00 179.45 176.22 1wxl h ARG 25 N 0.00 0.78 0.00 1.90 0.11 -1.58 0.88 114.38 116.46 1wxl h ARG 25 Ca -0.00 -0.40 0.00 0.00 0.10 0.00 0.00 59.98 59.68 1wxl h ARG 25 Cb 0.51 0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.60 1wxl h ARG 25 CO 0.04 1.02 0.00 0.93 0.10 0.00 0.00 179.97 182.06 1wxl h GLU 26 N 0.55 0.00 -0.99 0.08 4.39 -0.93 -3.31 114.58 114.37 1wxl h GLU 26 Ca 0.06 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.39 1wxl h GLU 26 Cb 0.86 0.00 -0.25 0.00 -0.10 0.00 0.00 28.75 29.26 1wxl h GLU 26 CO 0.07 0.00 -0.76 0.09 -1.16 0.00 0.00 179.01 177.26 1wxl n ASN 27 N -2.39 -1.62 -2.26 1.42 3.02 0.72 -5.03 115.26 109.13 1wxl n ASN 27 Ca 0.02 -2.98 -0.04 0.00 -0.03 0.00 0.00 54.58 51.54 1wxl n ASN 27 Cb 0.23 0.73 -0.06 0.00 -0.61 0.00 0.00 39.78 40.08 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 1.73 0.70 -0.13 3.52 -0.02 0.30 -2.27 135.00 138.83 1wxl n PRO 28 Ca 0.16 -0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1wxl n PRO 28 Cb 0.58 -1.64 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 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 2.70 0.51 0.00 -1.23 0.00 -1.26 -5.08 105.19 100.83 1wxl n GLY 29 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.82 -0.61 -5.35 -0.96 -5.13 119.36 103.49 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 -0.54 -1.76 0.00 0.00 176.55 174.25 1wxl s LYS 31 N 1.74 0.54 0.32 6.28 1.02 -1.26 -5.00 119.74 123.37 1wxl s LYS 31 Ca 0.00 -0.27 0.24 0.00 0.02 0.00 0.00 55.97 55.96 1wxl s LYS 31 Cb 0.00 0.23 1.07 0.00 -0.52 0.00 0.00 37.83 38.61 1wxl s LYS 31 CO 0.00 -0.14 1.10 1.55 -0.92 0.00 0.00 175.35 176.95 1wxl n VAL 32 N 1.48 -0.16 0.15 3.17 3.14 -1.26 0.25 118.33 125.10 1wxl n VAL 32 Ca -0.22 1.26 0.10 0.00 -2.96 0.00 0.00 64.34 62.52 1wxl n VAL 32 Cb 0.56 -2.06 0.06 0.00 -1.06 0.00 0.00 33.84 31.34 1wxl n VAL 32 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1wxl h THR 33 N 0.00 0.10 0.02 1.55 1.03 -2.00 -3.30 112.91 110.31 1wxl h THR 33 Ca 0.63 -1.15 -0.23 0.00 -0.01 0.00 0.00 66.41 65.65 1wxl h THR 33 Cb 2.06 1.80 -0.00 0.00 -1.07 0.00 0.00 68.15 70.94 1wxl h THR 33 CO -0.30 0.05 -0.97 -0.08 -0.01 0.00 0.00 175.52 174.21 1wxl h GLU 34 N 0.00 0.34 -0.70 0.00 4.57 0.29 -2.44 114.58 116.64 1wxl h GLU 34 Ca -0.01 -0.39 -0.00 0.00 -1.18 0.00 0.00 59.36 57.77 1wxl h GLU 34 Cb 1.07 0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.74 1wxl h GLU 34 CO 0.01 1.09 0.42 0.82 -1.18 0.00 0.00 179.01 180.16 1wxl h ILE 35 N 0.18 1.20 0.00 2.32 2.04 -1.54 0.30 117.51 122.00 1wxl h ILE 35 Ca -0.08 -0.43 -0.08 0.00 1.00 0.00 0.00 64.86 65.27 1wxl h ILE 35 Cb 1.62 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1wxl h ILE 35 CO 0.16 0.21 -0.38 0.00 0.00 0.00 0.00 178.15 178.14 1wxl h ALA 36 N 1.50 0.76 0.00 1.87 0.00 -1.61 -2.37 119.26 119.41 1wxl h ALA 36 Ca 0.25 -0.35 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 1wxl h ALA 36 Cb -0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1wxl h ALA 36 CO -0.05 0.48 -0.87 0.87 0.00 0.00 0.00 179.25 179.68 1wxl h LYS 37 N 0.00 0.00 0.47 0.00 1.79 -0.85 -3.32 116.57 114.66 1wxl h LYS 37 Ca -0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 1wxl h LYS 37 Cb 1.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 1wxl h LYS 37 CO 0.05 0.95 -0.23 -0.22 -1.08 0.00 0.00 179.45 178.92 1wxl h LYS 38 N -1.00 -0.61 -0.96 3.15 3.11 -0.58 -2.65 116.57 117.02 1wxl h LYS 38 Ca -0.24 0.04 0.29 0.00 -2.81 0.00 0.00 60.65 57.93 1wxl h LYS 38 Cb 1.17 0.14 -0.18 0.00 -1.00 0.00 0.00 32.23 32.36 1wxl h LYS 38 CO -0.14 -0.39 0.10 0.41 -2.81 0.00 0.00 179.45 176.62 1wxl n GLY 39 N -1.26 -1.22 0.31 5.01 0.00 -0.89 0.20 105.19 107.35 1wxl n GLY 39 Ca -0.12 0.92 0.01 0.00 0.00 0.00 0.00 46.02 46.83 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 0.00 1.25 0.42 -0.02 0.00 -1.58 1.00 103.07 104.15 1wxl h GLY 40 Ca 0.62 -0.37 0.06 0.00 0.00 0.00 0.00 47.33 47.65 1wxl h GLY 40 CO -0.88 0.24 -0.02 1.05 0.00 0.00 0.00 176.54 176.93 1wxl h GLU 41 N 0.93 0.06 0.00 4.80 4.11 0.24 0.22 114.58 124.94 1wxl h GLU 41 Ca 0.37 -0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.56 1wxl h GLU 41 Cb 0.18 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1wxl h GLU 41 CO -0.18 0.04 -0.95 0.00 0.07 0.00 0.00 179.01 177.99 1wxl h MET 42 N 0.07 0.42 -0.35 1.06 -0.00 -0.99 -3.30 114.93 111.84 1wxl h MET 42 Ca 0.16 -0.46 -0.03 0.00 -0.00 0.00 0.00 59.70 59.37 1wxl h MET 42 Cb 0.23 0.13 -0.01 0.00 -0.00 0.00 0.00 31.60 31.95 1wxl h MET 42 CO -0.30 1.12 0.09 2.35 -0.00 0.00 0.00 176.91 180.17 1wxl h TRP 43 N 0.24 0.59 -0.96 -0.10 2.91 0.15 -2.90 115.95 115.87 1wxl h TRP 43 Ca -0.08 -0.07 0.28 0.00 1.13 0.00 0.00 58.89 60.15 1wxl h TRP 43 Cb 1.59 -0.17 -0.04 0.00 -0.51 0.00 0.00 29.16 30.04 1wxl h TRP 43 CO 0.06 0.59 1.06 1.63 -1.03 0.00 0.00 178.44 180.75 1wxl n LYS 44 N -4.62 0.01 -2.08 2.65 4.76 0.75 0.31 118.16 119.94 1wxl n LYS 44 Ca -0.01 0.88 -0.00 0.00 -2.87 0.00 0.00 58.31 56.30 1wxl n LYS 44 Cb 0.19 -2.16 0.05 0.00 -1.84 0.00 0.00 35.03 31.27 1wxl n LYS 44 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1wxl n GLU 45 N -3.01 1.20 -3.62 1.97 0.00 -1.11 -5.10 120.64 110.97 1wxl n GLU 45 Ca 0.22 -2.96 -0.33 0.00 0.00 0.00 0.00 57.16 54.08 1wxl n GLU 45 Cb 1.35 -1.03 -0.05 0.00 0.00 0.00 0.00 31.44 31.70 1wxl n GLU 45 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.13 176.65 1wxl s LEU 46 N -2.25 4.32 0.00 -1.84 -0.00 0.15 -4.99 118.68 114.07 1wxl s LEU 46 Ca 0.33 0.70 0.22 0.00 -0.00 0.00 0.00 54.13 55.38 1wxl s LEU 46 Cb 0.36 -3.09 0.51 0.00 -0.00 0.00 0.00 46.19 43.97 1wxl s LEU 46 CO -0.09 0.13 1.44 0.29 -0.00 0.00 0.00 176.35 178.12 1wxl n LYS 47 N 0.61 2.28 0.00 1.48 4.76 -1.26 -3.68 118.16 122.35 1wxl n LYS 47 Ca -0.06 -1.93 0.14 0.00 -2.87 0.00 0.00 58.31 53.59 1wxl n LYS 47 Cb 0.52 -1.48 0.55 0.00 -1.84 0.00 0.00 35.03 32.79 1wxl n LYS 47 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1wxl n ASP 48 N 1.15 1.13 0.09 4.39 -0.08 -1.26 -3.53 116.55 118.44 1wxl n ASP 48 Ca 0.18 -1.23 0.10 0.00 -1.51 0.00 0.00 54.79 52.33 1wxl n ASP 48 Cb 0.53 0.02 -0.02 0.00 2.34 0.00 0.00 41.12 43.99 1wxl n ASP 48 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1wxl n LYS 49 N -0.23 0.61 -0.02 -0.67 0.00 -1.24 -1.18 118.16 115.43 1wxl n LYS 49 Ca 0.18 0.12 -0.10 0.00 0.00 0.00 0.00 58.31 58.50 1wxl n LYS 49 Cb 0.32 -1.81 0.04 0.00 0.00 0.00 0.00 35.03 33.58 1wxl n LYS 49 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1wxl h SER 50 N 0.00 0.69 0.35 3.14 0.87 -1.80 1.05 113.55 117.86 1wxl h SER 50 Ca -0.02 -0.36 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 1wxl h SER 50 Cb 1.07 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 1wxl h SER 50 CO 0.01 1.09 -0.82 1.17 -0.53 0.00 0.00 176.83 177.74 1wxl n LYS 51 N -3.98 0.11 -0.04 2.24 4.81 -1.25 -4.45 118.16 115.60 1wxl n LYS 51 Ca -0.03 -0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.35 1wxl n LYS 51 Cb 0.60 -1.54 -0.05 0.00 0.02 0.00 0.00 35.03 34.06 1wxl n LYS 51 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 1wxl n TRP 52 N -1.68 0.00 -0.14 5.64 7.02 -0.32 -4.47 117.44 123.48 1wxl n TRP 52 Ca 0.04 0.00 0.28 0.00 -1.02 0.00 0.00 57.50 56.79 1wxl n TRP 52 Cb 0.37 -0.36 0.72 0.00 -2.42 0.00 0.00 31.31 29.62 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 0.97 0.98 114.58 115.54 1wxl h GLU 53 Ca -0.21 0.00 -0.17 0.00 -0.00 0.00 0.00 59.36 58.98 1wxl h GLU 53 Cb 1.37 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 30.10 1wxl h GLU 53 CO -0.02 0.00 -0.82 -0.44 -0.00 0.00 0.00 179.01 177.74 1wxl h ASP 54 N 0.00 0.00 -0.57 3.06 3.32 -1.78 -2.95 116.42 117.50 1wxl h ASP 54 Ca 0.40 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.51 1wxl h ASP 54 Cb 1.69 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 41.18 1wxl h ASP 54 CO -0.00 0.82 0.27 0.00 -1.72 0.00 0.00 179.24 178.60 1wxl h ALA 55 N 1.18 0.73 0.26 3.45 0.00 0.78 0.51 119.26 126.18 1wxl h ALA 55 Ca -0.01 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1wxl h ALA 55 Cb 1.46 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1wxl h ALA 55 CO 0.11 -0.10 -0.12 0.00 0.00 0.00 0.00 179.25 179.13 1wxl h ALA 56 N 1.33 -0.35 -0.03 0.00 0.00 -1.42 0.74 119.26 119.54 1wxl h ALA 56 Ca 0.26 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 1wxl h ALA 56 Cb 0.22 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1wxl h ALA 56 CO -0.21 -0.63 -0.72 0.00 0.00 0.00 0.00 179.25 177.68 1wxl h ALA 57 N 0.24 0.72 0.02 0.00 0.00 -1.37 -1.67 119.26 117.21 1wxl h ALA 57 Ca -0.04 -0.63 -0.24 0.00 0.00 0.00 0.00 54.91 54.00 1wxl h ALA 57 Cb 0.35 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.07 1wxl h ALA 57 CO 0.06 0.83 -1.01 1.57 0.00 0.00 0.00 179.25 180.69 1wxl h LYS 58 N 0.12 0.49 -0.00 0.00 2.10 0.05 -3.21 116.57 116.11 1wxl h LYS 58 Ca -0.02 -0.55 -0.20 0.00 -2.00 0.00 0.00 60.65 57.88 1wxl h LYS 58 Cb 1.28 0.16 -0.01 0.00 -0.90 0.00 0.00 32.23 32.77 1wxl h LYS 58 CO 0.11 1.19 -0.87 0.22 -2.00 0.00 0.00 179.45 178.09 1wxl h ASP 59 N 0.26 0.33 -0.03 7.07 3.58 0.51 -1.82 116.42 126.31 1wxl h ASP 59 Ca -0.10 -0.26 0.01 0.00 0.42 0.00 0.00 57.03 57.10 1wxl h ASP 59 Cb 1.66 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 42.61 1wxl h ASP 59 CO 0.18 1.05 0.03 0.07 -2.88 0.00 0.00 179.24 177.69 1wxl h LYS 60 N 0.15 0.00 0.10 0.28 2.10 -1.35 0.47 116.57 118.32 1wxl h LYS 60 Ca -0.05 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.41 1wxl h LYS 60 Cb 1.50 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.83 1wxl h LYS 60 CO 0.14 0.00 -0.94 0.37 -2.00 0.00 0.00 179.45 177.02 1wxl h GLN 61 N 0.00 0.20 0.00 0.07 5.75 -1.53 -2.60 115.11 117.00 1wxl h GLN 61 Ca 0.02 -0.34 0.00 0.00 -0.15 0.00 0.00 58.65 58.17 1wxl h GLN 61 Cb 0.07 0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.74 1wxl h GLN 61 CO -0.00 1.16 0.00 -0.09 -2.65 0.00 0.00 178.83 177.25 1wxl h ARG 62 N -0.51 0.00 0.00 1.69 2.43 -0.73 0.10 114.38 117.36 1wxl h ARG 62 Ca -0.20 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 58.92 1wxl h ARG 62 Cb 1.55 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.09 1wxl h ARG 62 CO 0.06 0.00 -0.37 -0.92 -1.51 0.00 0.00 179.97 177.22 1wxl h TYR 63 N 0.00 0.00 0.00 2.20 3.20 -0.18 -3.25 116.97 118.93 1wxl h TYR 63 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1wxl h TYR 63 Cb 0.63 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.90 1wxl h TYR 63 CO 0.00 0.75 0.00 1.12 -1.64 0.00 0.00 178.16 178.39 1wxl h HIS 64 N -1.00 0.00 0.00 -3.82 2.07 -1.49 1.05 115.15 111.96 1wxl h HIS 64 Ca -0.08 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.44 1wxl h HIS 64 Cb 0.77 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.75 1wxl h HIS 64 CO 0.10 0.00 0.00 -0.25 -3.07 0.00 0.00 177.93 174.71 1wxl n ASP 65 N -2.90 0.13 0.00 3.10 8.00 0.35 -2.41 116.55 122.83 1wxl n ASP 65 Ca 0.00 0.51 0.00 0.00 0.71 0.00 0.00 54.79 56.01 1wxl n ASP 65 Cb 0.23 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.78 1wxl n ASP 65 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1wxl n GLU 66 N -1.62 0.00 -0.04 -1.24 1.02 -0.77 -4.40 120.64 113.58 1wxl n GLU 66 Ca 0.07 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.05 1wxl n GLU 66 Cb 0.35 -0.49 -0.07 0.00 -0.02 0.00 0.00 31.44 31.21 1wxl n GLU 66 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 1wxl h MET 67 N 0.00 0.67 -0.02 3.49 2.86 0.94 0.54 114.93 123.41 1wxl h MET 67 Ca 0.00 -0.50 -0.06 0.00 -2.06 0.00 0.00 59.70 57.08 1wxl h MET 67 Cb 0.35 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.10 1wxl h MET 67 CO 0.00 1.12 -0.23 0.07 1.06 0.00 0.00 176.91 178.93 1wxl h ARG 68 N 0.36 0.19 -0.93 1.72 0.11 -1.44 -3.18 114.38 111.21 1wxl h ARG 68 Ca -0.02 -0.18 -0.11 0.00 0.10 0.00 0.00 59.98 59.77 1wxl h ARG 68 Cb 1.17 0.04 -0.06 0.00 1.11 0.00 0.00 29.97 32.23 1wxl h ARG 68 CO 0.12 0.87 0.14 0.09 0.10 0.00 0.00 179.97 181.29 1wxl n ASN 69 N -4.53 3.08 -4.65 0.08 3.02 -1.01 -4.92 115.26 106.33 1wxl n ASN 69 Ca -0.09 -2.50 -0.42 0.00 -0.03 0.00 0.00 54.58 51.54 1wxl n ASN 69 Cb 0.47 -0.60 -0.03 0.00 -0.61 0.00 0.00 39.78 39.01 1wxl n ASN 69 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1wxl s TYR 70 N -1.46 1.93 -0.31 3.10 1.13 0.19 -4.01 117.35 117.92 1wxl s TYR 70 Ca 0.22 0.22 -0.04 0.00 -1.41 0.00 0.00 57.07 56.05 1wxl s TYR 70 Cb 0.17 -3.94 0.01 0.00 -1.10 0.00 0.00 41.96 37.10 1wxl s TYR 70 CO 0.05 -3.82 0.14 1.63 -2.51 0.00 0.00 175.55 171.04 1wxl n LYS 71 N 7.28 -3.01 -0.07 -3.49 4.01 -1.26 -4.94 118.16 116.68 1wxl n LYS 71 Ca 0.18 2.48 -0.12 0.00 -0.51 0.00 0.00 58.31 60.34 1wxl n LYS 71 Cb 0.43 -5.06 -0.06 0.00 -0.51 0.00 0.00 35.03 29.84 1wxl n LYS 71 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 1wxl h PRO 72 N 2.86 0.41 -4.97 1.97 0.13 -1.97 -3.40 132.00 127.02 1wxl h PRO 72 Ca -0.01 -0.19 -0.68 0.00 -0.87 0.00 0.00 66.00 64.25 1wxl h PRO 72 Cb 0.32 -0.01 -0.18 0.00 0.13 0.00 0.00 31.00 31.27 1wxl h PRO 72 CO 0.12 0.72 -0.18 -1.83 -0.23 0.00 0.00 178.00 176.59 1wxl s GLU 73 N -4.52 3.29 0.00 0.86 1.03 -1.26 -5.21 118.70 112.89 1wxl s GLU 73 Ca -0.14 -0.57 0.00 0.00 0.03 0.00 0.00 54.97 54.29 1wxl s GLU 73 Cb 0.06 -3.91 0.00 0.00 -0.80 0.00 0.00 34.13 29.48 1wxl s GLU 73 CO 0.76 -0.76 0.00 0.00 -1.33 0.00 0.00 175.26 173.93