#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 -2.97 -1.47 7.33 -0.00 -1.26 -4.96 115.22 111.89 1wxl n HIS 3 Ca 0.00 -0.43 -0.32 0.00 -0.00 0.00 0.00 57.72 56.97 1wxl n HIS 3 Cb 0.00 -0.65 0.08 0.00 -0.00 0.00 0.00 29.99 29.41 1wxl n HIS 3 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1wxl s MET 4 N -4.10 2.43 -0.53 -0.41 0.00 -1.26 -4.85 119.30 110.58 1wxl s MET 4 Ca 0.35 1.34 -0.25 0.00 0.00 0.00 0.00 55.69 57.14 1wxl s MET 4 Cb -0.06 -1.91 -0.22 0.00 0.00 0.00 0.00 34.83 32.64 1wxl s MET 4 CO 0.29 -1.53 1.82 -2.30 0.00 0.00 0.00 175.02 173.30 1wxl n PRO 5 N -2.98 1.04 -0.59 3.16 -0.02 -1.26 -4.77 135.00 129.58 1wxl n PRO 5 Ca 0.10 -1.58 -0.12 0.00 -2.02 0.00 0.00 63.50 59.88 1wxl n PRO 5 Cb 0.52 -2.78 -0.06 0.00 -0.02 0.00 0.00 33.50 31.16 1wxl n PRO 5 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1wxl n LYS 6 N 7.28 1.43 -1.22 -0.52 2.85 -1.20 -3.62 118.16 123.17 1wxl n LYS 6 Ca 0.49 -0.90 -0.06 0.00 -1.05 0.00 0.00 58.31 56.78 1wxl n LYS 6 Cb 0.41 -2.05 -0.03 0.00 -0.65 0.00 0.00 35.03 32.71 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 3.42 -1.17 -0.40 -1.58 0.00 -1.26 -4.55 116.66 111.13 1wxl n ARG 7 Ca 0.31 0.38 0.05 0.00 -0.00 0.00 0.00 57.85 58.58 1wxl n ARG 7 Cb 0.32 -4.51 -0.02 0.00 0.00 0.00 0.00 32.46 28.25 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 -0.31 -1.03 -2.89 5.13 0.00 -1.26 -4.48 120.51 115.66 1wxl n ALA 8 Ca -0.06 0.22 -0.34 0.00 0.00 0.00 0.00 53.44 53.25 1wxl n ALA 8 Cb 0.22 -0.41 -0.12 0.00 0.00 0.00 0.00 19.45 19.14 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 -2.70 3.97 0.71 0.00 2.01 -1.26 -4.90 115.64 113.47 1wxl s THR 9 Ca 0.00 -0.34 -0.15 0.00 0.31 0.00 0.00 61.69 61.51 1wxl s THR 9 Cb 0.00 -2.73 0.03 0.00 0.01 0.00 0.00 72.50 69.81 1wxl s THR 9 CO 0.00 0.51 1.19 0.42 -0.69 0.00 0.00 174.62 176.05 1wxl s THR 10 N 0.15 2.48 0.29 -0.82 -4.23 -1.26 -3.76 115.64 108.49 1wxl s THR 10 Ca -0.01 0.24 0.02 0.00 -1.18 0.00 0.00 61.69 60.75 1wxl s THR 10 Cb -0.14 -2.81 0.33 0.00 1.34 0.00 0.00 72.50 71.23 1wxl s THR 10 CO 0.03 -0.12 1.63 0.00 -0.54 0.00 0.00 174.62 175.61 1wxl h ALA 11 N -0.18 1.23 -0.10 3.99 0.00 -1.88 1.37 119.26 123.70 1wxl h ALA 11 Ca -0.48 0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 1wxl h ALA 11 Cb 1.29 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 1wxl h ALA 11 CO 0.51 -0.51 -0.45 0.35 0.00 0.00 0.00 179.25 179.15 1wxl h PHE 12 N 0.14 0.27 0.03 0.00 3.04 -1.93 -2.69 116.94 115.80 1wxl h PHE 12 Ca 0.56 -0.08 -0.00 0.00 3.98 0.00 0.00 57.97 62.43 1wxl h PHE 12 Cb 1.14 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 39.59 1wxl h PHE 12 CO -0.32 0.64 -0.01 0.52 -2.02 0.00 0.00 178.31 177.12 1wxl h MET 13 N 0.19 -0.03 -0.88 1.11 2.86 0.10 -0.45 114.93 117.83 1wxl h MET 13 Ca 0.01 0.00 0.25 0.00 -2.06 0.00 0.00 59.70 57.91 1wxl h MET 13 Cb 0.87 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.51 1wxl h MET 13 CO 0.07 -0.02 0.70 1.37 1.06 0.00 0.00 176.91 180.09 1wxl h LEU 14 N -0.67 0.00 0.11 1.22 -0.00 0.68 1.32 115.31 117.96 1wxl h LEU 14 Ca -0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.88 57.57 1wxl h LEU 14 Cb 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.68 1wxl h LEU 14 CO 0.01 0.00 -1.60 -0.25 -0.00 0.00 0.00 178.44 176.59 1wxl h TRP 15 N 0.00 0.43 0.00 0.17 7.01 -1.59 -3.22 115.95 118.75 1wxl h TRP 15 Ca 0.42 -0.32 0.00 0.00 2.11 0.00 0.00 58.89 61.10 1wxl h TRP 15 Cb 1.81 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 28.85 1wxl h TRP 15 CO 0.00 1.63 0.00 -0.11 -2.79 0.00 0.00 178.44 177.17 1wxl n LEU 16 N -3.82 0.34 -0.00 0.65 7.94 0.28 0.05 117.00 122.43 1wxl n LEU 16 Ca -0.28 0.61 -0.11 0.00 -1.11 0.00 0.00 56.01 55.13 1wxl n LEU 16 Cb 0.94 -0.59 -0.08 0.00 0.53 0.00 0.00 43.42 44.21 1wxl n LEU 16 CO 0.40 -0.54 0.37 -1.13 -1.11 0.00 0.00 177.39 175.38 1wxl h ASN 17 N 0.00 -0.09 0.94 1.96 -0.73 0.15 5.12 115.58 122.93 1wxl h ASN 17 Ca 0.00 -0.51 -0.06 0.00 1.87 0.00 0.00 56.30 57.60 1wxl h ASN 17 Cb 0.20 0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.80 1wxl h ASN 17 CO 0.00 0.58 -0.31 -0.78 -0.37 0.00 0.00 177.43 176.55 1wxl h ASP 18 N -0.88 0.00 0.00 1.15 3.58 -1.46 -3.03 116.42 115.78 1wxl h ASP 18 Ca -0.01 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.37 1wxl h ASP 18 Cb 0.59 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.63 1wxl h ASP 18 CO 0.02 0.31 -1.95 0.41 -2.88 0.00 0.00 179.24 175.14 1wxl n THR 19 N -3.44 0.27 -0.25 2.25 -1.04 0.11 -4.11 114.28 108.06 1wxl n THR 19 Ca 0.00 -0.51 0.15 0.00 -2.04 0.00 0.00 64.05 61.66 1wxl n THR 19 Cb 0.48 -0.07 0.45 0.00 -1.82 0.00 0.00 70.33 69.37 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 0.52 -0.49 -2.82 2.43 1.04 2.01 114.38 117.08 1wxl h ARG 20 Ca -0.11 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 58.92 1wxl h ARG 20 Cb 1.14 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.56 1wxl h ARG 20 CO 0.01 0.35 -0.14 1.49 -1.51 0.00 0.00 179.97 180.16 1wxl h GLU 21 N 0.54 0.93 0.00 0.20 4.81 -1.72 -2.53 114.58 116.81 1wxl h GLU 21 Ca 0.45 -0.35 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1wxl h GLU 21 Cb 0.93 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.25 1wxl h GLU 21 CO -0.19 1.01 -0.03 0.77 -0.73 0.00 0.00 179.01 179.84 1wxl h SER 22 N 0.83 0.00 0.16 1.04 0.02 0.27 -2.92 113.55 112.95 1wxl h SER 22 Ca 0.13 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.82 1wxl h SER 22 Cb 0.69 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.24 1wxl h SER 22 CO 0.05 0.03 -1.19 0.40 -1.14 0.00 0.00 176.83 174.97 1wxl h ILE 23 N 0.00 1.27 0.00 3.27 2.04 0.65 -2.87 117.51 121.88 1wxl h ILE 23 Ca -0.00 -2.52 -0.07 0.00 1.00 0.00 0.00 64.86 63.27 1wxl h ILE 23 Cb 0.55 2.98 -0.01 0.00 -0.74 0.00 0.00 36.82 39.61 1wxl h ILE 23 CO 0.00 0.74 -0.33 0.50 0.00 0.00 0.00 178.15 179.06 1wxl h LYS 24 N -0.23 0.00 -0.37 2.37 1.63 -1.43 -0.90 116.57 117.65 1wxl h LYS 24 Ca -0.23 0.00 -0.13 0.00 -0.85 0.00 0.00 60.65 59.44 1wxl h LYS 24 Cb 1.81 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.43 1wxl h LYS 24 CO 0.14 0.33 -0.28 0.00 -3.45 0.00 0.00 179.45 176.19 1wxl h ARG 25 N 0.00 0.84 0.00 1.90 -0.00 -1.60 0.36 114.38 115.87 1wxl h ARG 25 Ca -0.00 -0.41 0.00 0.00 -0.50 0.00 0.00 59.98 59.07 1wxl h ARG 25 Cb 0.61 -0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.58 1wxl h ARG 25 CO 0.04 1.05 0.00 0.39 0.00 0.00 0.00 179.97 181.45 1wxl n GLU 26 N -4.18 0.18 -2.88 0.04 -0.58 -0.82 -3.88 120.64 108.51 1wxl n GLU 26 Ca -0.02 0.48 -0.09 0.00 -0.42 0.00 0.00 57.16 57.11 1wxl n GLU 26 Cb 0.48 -1.90 -0.01 0.00 -0.57 0.00 0.00 31.44 29.44 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 -2.26 -2.76 -2.41 1.62 3.02 -0.40 -5.04 115.26 107.03 1wxl n ASN 27 Ca 0.01 -2.86 -0.08 0.00 -0.03 0.00 0.00 54.58 51.62 1wxl n ASN 27 Cb 0.18 1.28 -0.07 0.00 -0.61 0.00 0.00 39.78 40.56 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 2.71 1.11 -0.04 3.52 -0.04 0.12 -2.41 135.00 139.97 1wxl n PRO 28 Ca 0.19 -0.63 0.00 0.00 -0.04 0.00 0.00 63.50 63.02 1wxl n PRO 28 Cb 0.55 -1.86 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 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 2.94 0.33 0.00 0.55 0.00 -1.26 -5.09 105.19 102.66 1wxl n GLY 29 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.01 -5.12 119.36 103.47 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 0.17 0.00 -0.09 0.00 -1.74 0.00 0.00 39.64 37.97 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 0.57 0.57 0.32 6.28 -2.85 -1.26 -5.00 119.74 118.38 1wxl s LYS 31 Ca 0.00 -0.18 0.24 0.00 -1.00 0.00 0.00 55.97 55.03 1wxl s LYS 31 Cb 0.00 0.25 1.09 0.00 -2.06 0.00 0.00 37.83 37.11 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 1.54 -0.17 0.13 1.79 3.14 -1.26 0.24 118.33 123.73 1wxl n VAL 32 Ca -0.21 1.28 0.08 0.00 -2.96 0.00 0.00 64.34 62.53 1wxl n VAL 32 Cb 0.56 -2.10 0.03 0.00 -1.06 0.00 0.00 33.84 31.27 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 -0.08 1.55 1.35 -2.00 -3.28 112.91 110.67 1wxl h THR 33 Ca 0.64 -1.37 -0.19 0.00 -0.55 0.00 0.00 66.41 64.94 1wxl h THR 33 Cb 2.10 1.87 -0.00 0.00 -1.73 0.00 0.00 68.15 70.38 1wxl h THR 33 CO -0.31 0.13 -0.73 -0.08 -0.25 0.00 0.00 175.52 174.28 1wxl h GLU 34 N 0.00 0.44 -0.63 4.72 4.81 0.26 -2.67 114.58 121.50 1wxl h GLU 34 Ca -0.03 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1wxl h GLU 34 Cb 1.17 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.59 1wxl h GLU 34 CO 0.02 0.99 0.42 0.82 -0.73 0.00 0.00 179.01 180.52 1wxl h ILE 35 N 0.30 1.17 0.00 2.32 2.04 -1.53 0.29 117.51 122.09 1wxl h ILE 35 Ca -0.03 -0.31 -0.05 0.00 1.00 0.00 0.00 64.86 65.46 1wxl h ILE 35 Cb 1.31 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1wxl h ILE 35 CO 0.13 0.16 -0.25 0.00 0.00 0.00 0.00 178.15 178.19 1wxl h ALA 36 N 1.23 1.23 0.00 1.87 0.00 -1.59 -1.76 119.26 120.24 1wxl h ALA 36 Ca 0.23 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1wxl h ALA 36 Cb -0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1wxl h ALA 36 CO -0.05 0.31 -1.27 1.63 0.00 0.00 0.00 179.25 179.88 1wxl n LYS 37 N -3.72 0.54 0.01 0.00 4.76 -0.77 -3.37 118.16 115.61 1wxl n LYS 37 Ca -0.01 0.50 0.06 0.00 -2.87 0.00 0.00 58.31 55.99 1wxl n LYS 37 Cb 0.36 -1.68 0.25 0.00 -1.84 0.00 0.00 35.03 32.12 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 -4.45 0.01 -0.04 1.97 -0.00 0.94 -2.42 118.16 114.16 1wxl n LYS 38 Ca -0.29 0.31 -0.22 0.00 -0.00 0.00 0.00 58.31 58.12 1wxl n LYS 38 Cb 0.61 -1.52 -0.13 0.00 -0.00 0.00 0.00 35.03 33.99 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 -0.34 -0.65 0.33 2.58 0.00 -0.66 -3.95 105.19 102.50 1wxl n GLY 39 Ca 0.03 -0.14 0.09 0.00 0.00 0.00 0.00 46.02 45.99 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 0.34 1.54 0.67 -0.02 0.00 -1.48 0.92 103.07 105.04 1wxl h GLY 40 Ca -0.41 -0.31 0.05 0.00 0.00 0.00 0.00 47.33 46.66 1wxl h GLY 40 CO -0.03 -0.01 0.27 1.05 0.00 0.00 0.00 176.54 177.83 1wxl h GLU 41 N 0.73 0.50 -0.02 4.80 4.11 -1.70 0.19 114.58 123.20 1wxl h GLU 41 Ca 0.50 -0.03 -0.21 0.00 0.07 0.00 0.00 59.36 59.69 1wxl h GLU 41 Cb 0.69 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 1wxl h GLU 41 CO -0.35 0.33 -0.87 0.00 0.07 0.00 0.00 179.01 178.20 1wxl h MET 42 N 0.52 0.33 0.54 1.06 -0.00 -1.15 -3.28 114.93 112.95 1wxl h MET 42 Ca 0.25 -0.34 -0.03 0.00 -0.00 0.00 0.00 59.70 59.58 1wxl h MET 42 Cb 0.17 0.09 0.01 0.00 -0.00 0.00 0.00 31.60 31.87 1wxl h MET 42 CO -0.18 1.02 -0.26 2.35 -0.00 0.00 0.00 176.91 179.84 1wxl h TRP 43 N 0.20 -0.67 -0.24 -0.10 2.91 0.15 -2.59 115.95 115.60 1wxl h TRP 43 Ca -0.06 -0.02 0.07 0.00 1.13 0.00 0.00 58.89 60.02 1wxl h TRP 43 Cb 1.49 0.22 -0.01 0.00 -0.51 0.00 0.00 29.16 30.35 1wxl h TRP 43 CO 0.05 -0.36 0.40 -0.22 -1.03 0.00 0.00 178.44 177.28 1wxl h LYS 44 N -0.88 0.00 -0.84 2.65 1.63 -0.76 0.01 116.57 118.39 1wxl h LYS 44 Ca -0.07 0.00 -0.59 0.00 -0.85 0.00 0.00 60.65 59.13 1wxl h LYS 44 Cb 0.61 0.00 -0.39 0.00 -0.60 0.00 0.00 32.23 31.86 1wxl h LYS 44 CO 0.12 0.00 -0.28 0.39 -3.45 0.00 0.00 179.45 176.23 1wxl n GLU 45 N -3.38 3.32 -4.69 1.90 1.02 -1.00 -5.00 120.64 112.81 1wxl n GLU 45 Ca 0.03 -3.89 -0.23 0.00 -0.02 0.00 0.00 57.16 53.05 1wxl n GLU 45 Cb 0.52 -2.28 -0.15 0.00 -0.02 0.00 0.00 31.44 29.51 1wxl n GLU 45 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1wxl s LEU 46 N -3.67 2.01 -0.12 -4.62 0.20 -0.01 -4.98 118.68 107.49 1wxl s LEU 46 Ca 0.55 -0.27 0.06 0.00 0.69 0.00 0.00 54.13 55.16 1wxl s LEU 46 Cb 0.44 -0.77 0.36 0.00 -0.43 0.00 0.00 46.19 45.79 1wxl s LEU 46 CO 0.02 0.18 1.12 2.29 -0.29 0.00 0.00 176.35 179.67 1wxl n LYS 47 N 2.77 2.61 -0.00 1.98 -0.00 -1.26 -3.22 118.16 121.03 1wxl n LYS 47 Ca -0.15 -1.43 0.05 0.00 -0.00 0.00 0.00 58.31 56.79 1wxl n LYS 47 Cb 0.55 -1.81 -0.07 0.00 -0.00 0.00 0.00 35.03 33.70 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 0.21 1.07 0.13 -5.58 8.00 -1.26 -4.41 116.55 114.71 1wxl n ASP 48 Ca 0.15 -0.54 0.00 0.00 0.71 0.00 0.00 54.79 55.11 1wxl n ASP 48 Cb 0.73 1.15 0.05 0.00 -0.02 0.00 0.00 41.12 43.04 1wxl n ASP 48 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1wxl h LYS 49 N 0.00 0.00 0.00 -1.24 3.11 -1.85 0.83 116.57 117.42 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 0.34 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.55 1wxl h LYS 49 CO 0.00 0.63 -0.53 1.03 -2.81 0.00 0.00 179.45 177.78 1wxl h SER 50 N 0.00 0.00 0.11 4.20 0.87 -1.77 1.48 113.55 118.44 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 1.39 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.35 1wxl h SER 50 CO 0.08 0.53 -0.97 1.17 -0.53 0.00 0.00 176.83 177.10 1wxl n LYS 51 N -3.85 0.06 -0.06 2.24 0.00 -1.08 -4.29 118.16 111.17 1wxl n LYS 51 Ca -0.01 -0.01 -0.10 0.00 0.00 0.00 0.00 58.31 58.18 1wxl n LYS 51 Cb 0.55 -1.51 -0.06 0.00 0.00 0.00 0.00 35.03 34.01 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 -1.57 0.00 -0.18 5.64 7.02 0.29 -4.46 117.44 124.18 1wxl n TRP 52 Ca 0.04 0.00 0.25 0.00 -1.02 0.00 0.00 57.50 56.76 1wxl n TRP 52 Cb 0.35 -0.49 0.65 0.00 -2.42 0.00 0.00 31.31 29.40 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 -0.12 0.13 0.00 -0.99 4.11 0.19 1.06 114.58 118.96 1wxl h GLU 53 Ca -0.30 -0.01 -0.09 0.00 0.07 0.00 0.00 59.36 59.03 1wxl h GLU 53 Cb 1.41 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 1wxl h GLU 53 CO -0.08 0.08 -0.43 -0.44 0.07 0.00 0.00 179.01 178.21 1wxl h ASP 54 N 0.13 0.00 -0.46 3.06 3.32 -1.75 -2.40 116.42 118.32 1wxl h ASP 54 Ca 0.42 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.51 1wxl h ASP 54 Cb 1.45 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.96 1wxl h ASP 54 CO -0.06 0.43 0.22 0.00 -1.72 0.00 0.00 179.24 178.10 1wxl h ALA 55 N 1.57 0.57 -0.21 3.45 0.00 0.96 0.38 119.26 125.99 1wxl h ALA 55 Ca -0.00 0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1wxl h ALA 55 Cb 0.82 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 1wxl h ALA 55 CO 0.06 -0.15 -0.11 0.00 0.00 0.00 0.00 179.25 179.05 1wxl h ALA 56 N 1.26 0.06 0.00 0.00 0.00 -1.30 0.95 119.26 120.22 1wxl h ALA 56 Ca 0.20 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1wxl h ALA 56 Cb 0.13 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1wxl h ALA 56 CO -0.16 -0.54 -0.10 0.00 0.00 0.00 0.00 179.25 178.46 1wxl h ALA 57 N 1.07 1.03 0.18 0.00 0.00 -1.26 0.14 119.26 120.42 1wxl h ALA 57 Ca 0.12 -0.09 -0.31 0.00 0.00 0.00 0.00 54.91 54.62 1wxl h ALA 57 Cb 0.27 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.06 1wxl h ALA 57 CO -0.27 0.13 -1.45 1.57 0.00 0.00 0.00 179.25 179.22 1wxl h LYS 58 N 0.00 0.37 0.10 0.00 2.10 0.14 -2.85 116.57 116.44 1wxl h LYS 58 Ca -0.00 -0.64 -0.26 0.00 -2.00 0.00 0.00 60.65 57.75 1wxl h LYS 58 Cb 0.59 0.24 0.00 0.00 -0.90 0.00 0.00 32.23 32.15 1wxl h LYS 58 CO 0.01 1.28 -1.19 -0.44 -2.00 0.00 0.00 179.45 177.12 1wxl h ASP 59 N 0.10 0.38 -0.50 7.07 5.19 0.11 -0.53 116.42 128.24 1wxl h ASP 59 Ca -0.22 -0.40 -0.08 0.00 -0.62 0.00 0.00 57.03 55.71 1wxl h ASP 59 Cb 2.07 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 41.43 1wxl h ASP 59 CO 0.22 1.30 0.01 0.50 -3.12 0.00 0.00 179.24 178.14 1wxl h LYS 60 N 0.08 0.87 -0.04 3.56 3.11 -0.84 0.41 116.57 123.73 1wxl h LYS 60 Ca -0.11 -0.27 -0.19 0.00 -2.81 0.00 0.00 60.65 57.26 1wxl h LYS 60 Cb 1.91 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 33.06 1wxl h LYS 60 CO 0.19 0.90 -0.80 0.37 -2.81 0.00 0.00 179.45 177.30 1wxl h GLN 61 N 0.74 0.32 0.00 1.90 5.75 -1.57 -1.56 115.11 120.70 1wxl h GLN 61 Ca 0.14 -0.30 0.00 0.00 -0.15 0.00 0.00 58.65 58.35 1wxl h GLN 61 Cb 0.50 0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.13 1wxl h GLN 61 CO 0.02 0.97 -0.25 -2.13 -2.65 0.00 0.00 178.83 174.79 1wxl n ARG 62 N -3.77 0.24 -0.06 1.69 0.63 -0.21 -1.12 116.66 114.06 1wxl n ARG 62 Ca -0.04 0.14 -0.22 0.00 -0.92 0.00 0.00 57.85 56.81 1wxl n ARG 62 Cb 0.75 -1.72 -0.12 0.00 0.45 0.00 0.00 32.46 31.82 1wxl n ARG 62 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1wxl n TYR 63 N -2.10 1.05 0.25 -0.14 4.02 0.14 -3.75 117.16 116.63 1wxl n TYR 63 Ca 0.05 0.35 0.14 0.00 -0.01 0.00 0.00 57.90 58.43 1wxl n TYR 63 Cb 0.42 -1.12 0.56 0.00 -0.02 0.00 0.00 39.34 39.18 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 -0.57 0.00 0.00 -0.72 2.07 -1.39 2.98 115.15 117.53 1wxl h HIS 64 Ca -0.40 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.12 1wxl h HIS 64 Cb 1.61 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.59 1wxl h HIS 64 CO 0.08 0.09 0.00 -0.25 -3.07 0.00 0.00 177.93 174.78 1wxl n ASP 65 N -3.20 0.00 0.00 3.10 9.92 -0.27 -3.70 116.55 122.40 1wxl n ASP 65 Ca 0.01 0.35 0.00 0.00 -0.53 0.00 0.00 54.79 54.62 1wxl n ASP 65 Cb 0.37 -0.41 0.00 0.00 -0.64 0.00 0.00 41.12 40.44 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 -1.41 0.00 -0.23 -1.24 0.00 -0.92 -4.93 120.64 111.91 1wxl n GLU 66 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 57.16 57.26 1wxl n GLU 66 Cb 0.10 0.00 0.17 0.00 0.00 0.00 0.00 31.44 31.71 1wxl n GLU 66 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1wxl n MET 67 N -0.41 2.74 -0.25 3.44 2.81 0.88 -4.71 117.12 121.62 1wxl n MET 67 Ca 0.00 -2.30 -0.01 0.00 -1.81 0.00 0.00 57.70 53.58 1wxl n MET 67 Cb 0.00 -1.45 0.05 0.00 -0.71 0.00 0.00 33.22 31.11 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 1.44 -0.06 -0.80 0.03 0.11 0.20 0.69 114.38 115.99 1wxl h ARG 68 Ca 0.00 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.97 1wxl h ARG 68 Cb 0.97 0.01 -0.07 0.00 1.11 0.00 0.00 29.97 32.00 1wxl h ARG 68 CO 0.08 -0.04 0.15 0.09 0.10 0.00 0.00 179.97 180.34 1wxl n ASN 69 N -5.47 4.10 -0.04 0.08 3.02 -1.26 -4.36 115.26 111.33 1wxl n ASN 69 Ca 0.08 -2.81 -0.08 0.00 -0.03 0.00 0.00 54.58 51.74 1wxl n ASN 69 Cb 0.37 -0.67 -0.07 0.00 -0.61 0.00 0.00 39.78 38.81 1wxl n ASN 69 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1wxl h TYR 70 N 2.16 -0.03 -0.04 3.10 3.20 0.10 -3.47 116.97 122.00 1wxl h TYR 70 Ca 0.14 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 1wxl h TYR 70 Cb 1.80 0.01 -0.14 0.00 1.54 0.00 0.00 36.73 39.94 1wxl h TYR 70 CO 0.89 0.47 -0.04 1.17 -1.64 0.00 0.00 178.16 179.01 1wxl n LYS 71 N -4.73 0.07 -0.08 1.82 3.00 -1.25 -4.98 118.16 112.02 1wxl n LYS 71 Ca -0.05 -0.64 -0.13 0.00 -0.00 0.00 0.00 58.31 57.48 1wxl n LYS 71 Cb 0.25 0.01 -0.05 0.00 0.00 0.00 0.00 35.03 35.23 1wxl n LYS 71 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 1wxl h PRO 72 N 3.48 0.53 0.00 1.64 0.13 -1.76 -3.18 132.00 132.84 1wxl h PRO 72 Ca -0.15 -0.27 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1wxl h PRO 72 Cb 1.20 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1wxl h PRO 72 CO -0.19 0.85 0.00 -1.91 -0.23 0.00 0.00 178.00 176.52 1wxl n GLU 73 N -4.42 0.00 -0.51 0.86 2.13 -1.26 -4.27 120.64 113.16 1wxl n GLU 73 Ca -0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.77 1wxl n GLU 73 Cb 0.40 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.11 1wxl n GLU 73 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72