#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 -3.29 -3.71 0.66 1.44 -1.26 -5.15 115.22 103.91 1wxl n HIS 3 Ca 0.00 -1.39 -0.14 0.00 -2.01 0.00 0.00 57.72 54.18 1wxl n HIS 3 Cb 0.00 1.46 -0.09 0.00 0.12 0.00 0.00 29.99 31.48 1wxl n HIS 3 CO 0.00 0.00 0.00 -1.64 -2.81 0.00 0.00 176.34 171.89 1wxl s MET 4 N 0.80 0.64 -1.21 -1.40 -1.94 -1.26 -5.09 119.30 109.84 1wxl s MET 4 Ca 0.30 0.31 -0.20 0.00 -1.71 0.00 0.00 55.69 54.38 1wxl s MET 4 Cb 0.09 0.30 0.01 0.00 2.01 0.00 0.00 34.83 37.24 1wxl s MET 4 CO -0.12 -0.14 1.78 -1.25 -0.01 0.00 0.00 175.02 175.29 1wxl s PRO 5 N -0.46 3.37 -0.08 2.03 0.04 -1.26 -4.83 135.00 133.81 1wxl s PRO 5 Ca -0.06 -1.53 -0.04 0.00 0.04 0.00 0.00 61.00 59.42 1wxl s PRO 5 Cb -0.03 -5.39 -0.15 0.00 0.04 0.00 0.00 34.50 28.97 1wxl s PRO 5 CO 0.03 -2.88 2.27 1.63 0.04 0.00 0.00 177.00 178.09 1wxl n LYS 6 N 8.44 1.23 -1.64 4.56 5.02 -1.26 -4.55 118.16 129.96 1wxl n LYS 6 Ca 0.45 -0.65 -0.04 0.00 -2.02 0.00 0.00 58.31 56.06 1wxl n LYS 6 Cb 0.47 -1.84 -0.01 0.00 -0.02 0.00 0.00 35.03 33.62 1wxl n LYS 6 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1wxl n ARG 7 N 2.84 -1.73 -0.25 1.97 0.00 -1.26 -4.51 116.66 113.72 1wxl n ARG 7 Ca 0.26 0.20 0.03 0.00 -0.00 0.00 0.00 57.85 58.35 1wxl n ARG 7 Cb 0.49 -4.45 -0.01 0.00 0.00 0.00 0.00 32.46 28.49 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 -1.29 -0.66 -2.85 5.13 0.00 -1.26 -4.54 120.51 115.04 1wxl n ALA 8 Ca -0.04 0.13 -0.33 0.00 0.00 0.00 0.00 53.44 53.20 1wxl n ALA 8 Cb 0.28 -0.26 -0.13 0.00 0.00 0.00 0.00 19.45 19.35 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 -2.35 3.50 0.67 0.00 2.01 -1.26 -4.91 115.64 113.30 1wxl s THR 9 Ca 0.00 -0.52 -0.16 0.00 0.31 0.00 0.00 61.69 61.32 1wxl s THR 9 Cb 0.00 -2.47 0.01 0.00 0.01 0.00 0.00 72.50 70.05 1wxl s THR 9 CO 0.00 0.54 1.17 0.42 -0.69 0.00 0.00 174.62 176.06 1wxl s THR 10 N -0.05 2.71 0.28 -0.82 -4.23 -1.26 -3.76 115.64 108.51 1wxl s THR 10 Ca -0.01 0.36 0.01 0.00 -1.18 0.00 0.00 61.69 60.88 1wxl s THR 10 Cb -0.14 -2.95 0.31 0.00 1.34 0.00 0.00 72.50 71.07 1wxl s THR 10 CO 0.03 -0.17 1.64 0.00 -0.54 0.00 0.00 174.62 175.58 1wxl h ALA 11 N 0.08 1.21 -0.19 3.99 0.00 -1.86 1.12 119.26 123.60 1wxl h ALA 11 Ca -0.48 0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 1wxl h ALA 11 Cb 1.28 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 1wxl h ALA 11 CO 0.52 -0.46 -0.23 0.35 0.00 0.00 0.00 179.25 179.43 1wxl h PHE 12 N 0.19 0.38 0.07 0.00 3.57 -1.94 -2.07 116.94 117.14 1wxl h PHE 12 Ca 0.54 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.96 1wxl h PHE 12 Cb 1.06 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.71 1wxl h PHE 12 CO -0.29 0.56 -0.03 0.52 -2.23 0.00 0.00 178.31 176.83 1wxl h MET 13 N 0.32 -0.09 -0.74 1.11 2.86 0.60 -0.86 114.93 118.12 1wxl h MET 13 Ca 0.05 0.01 0.20 0.00 -2.06 0.00 0.00 59.70 57.90 1wxl h MET 13 Cb 0.58 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.22 1wxl h MET 13 CO 0.04 -0.06 0.53 1.37 1.06 0.00 0.00 176.91 179.84 1wxl h LEU 14 N -0.94 0.08 0.12 1.22 -0.00 0.18 1.00 115.31 116.97 1wxl h LEU 14 Ca -0.01 0.01 -0.21 0.00 -0.00 0.00 0.00 57.88 57.67 1wxl h LEU 14 Cb 0.07 -0.01 0.01 0.00 -0.00 0.00 0.00 40.66 40.74 1wxl h LEU 14 CO 0.02 0.04 -0.98 -0.25 -0.00 0.00 0.00 178.44 177.27 1wxl h TRP 15 N 0.09 0.46 0.00 0.17 7.01 -1.48 -3.06 115.95 119.13 1wxl h TRP 15 Ca 0.36 -0.34 0.00 0.00 2.11 0.00 0.00 58.89 61.02 1wxl h TRP 15 Cb 1.30 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 28.35 1wxl h TRP 15 CO -0.00 1.38 0.00 1.25 -2.79 0.00 0.00 178.44 178.28 1wxl h LEU 16 N -0.41 0.00 0.18 0.65 5.85 0.40 0.78 115.31 122.76 1wxl h LEU 16 Ca -0.19 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 1wxl h LEU 16 Cb 1.63 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.66 1wxl h LEU 16 CO 0.10 0.00 -0.09 -1.13 -0.34 0.00 0.00 178.44 176.98 1wxl h ASN 17 N 0.00 -0.21 0.59 1.25 -0.73 0.10 3.52 115.58 120.10 1wxl h ASN 17 Ca 0.00 -0.33 -0.13 0.00 1.87 0.00 0.00 56.30 57.72 1wxl h ASN 17 Cb 0.14 0.05 -0.02 0.00 0.27 0.00 0.00 38.32 38.77 1wxl h ASN 17 CO 0.00 0.33 -0.60 0.44 -0.37 0.00 0.00 177.43 177.23 1wxl h ASP 18 N -0.86 0.01 0.00 1.15 5.19 -1.30 -3.22 116.42 117.39 1wxl h ASP 18 Ca -0.02 -0.01 -0.14 0.00 -0.62 0.00 0.00 57.03 56.23 1wxl h ASP 18 Cb 0.52 -0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.00 1wxl h ASP 18 CO 0.04 0.61 -2.05 0.41 -3.12 0.00 0.00 179.24 175.13 1wxl n THR 19 N -3.83 0.54 -0.15 0.35 -1.04 0.27 -4.09 114.28 106.33 1wxl n THR 19 Ca -0.01 -0.59 0.11 0.00 -2.04 0.00 0.00 64.05 61.51 1wxl n THR 19 Cb 0.60 -0.19 0.44 0.00 -1.82 0.00 0.00 70.33 69.36 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 0.54 -0.61 -2.82 0.11 0.66 1.78 114.38 114.03 1wxl h ARG 20 Ca -0.21 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 59.83 1wxl h ARG 20 Cb 1.43 -0.12 -0.03 0.00 1.11 0.00 0.00 29.97 32.36 1wxl h ARG 20 CO 0.01 0.35 0.35 1.49 0.10 0.00 0.00 179.97 182.28 1wxl h GLU 21 N 0.55 0.84 0.00 0.08 4.81 -1.68 0.06 114.58 119.24 1wxl h GLU 21 Ca 0.32 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1wxl h GLU 21 Cb 0.51 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1wxl h GLU 21 CO -0.11 0.62 0.00 0.77 -0.73 0.00 0.00 179.01 179.57 1wxl h SER 22 N 0.83 0.00 0.12 1.04 0.02 0.22 -2.91 113.55 112.87 1wxl h SER 22 Ca 0.22 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.97 1wxl h SER 22 Cb 0.01 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.57 1wxl h SER 22 CO -0.04 0.00 -0.87 0.40 -1.14 0.00 0.00 176.83 175.18 1wxl h ILE 23 N 0.00 1.45 0.00 3.27 2.04 0.22 -2.97 117.51 121.52 1wxl h ILE 23 Ca 0.00 -2.45 -0.06 0.00 1.00 0.00 0.00 64.86 63.35 1wxl h ILE 23 Cb 0.32 3.02 -0.01 0.00 -0.74 0.00 0.00 36.82 39.41 1wxl h ILE 23 CO 0.00 0.70 -0.28 0.50 0.00 0.00 0.00 178.15 179.08 1wxl h LYS 24 N -0.21 0.00 -0.67 2.37 1.63 -1.24 -1.45 116.57 117.00 1wxl h LYS 24 Ca -0.14 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.59 1wxl h LYS 24 Cb 1.65 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 33.25 1wxl h LYS 24 CO 0.16 0.28 0.16 0.00 -3.45 0.00 0.00 179.45 176.60 1wxl h ARG 25 N 0.00 1.08 0.00 1.90 2.47 -1.56 0.51 114.38 118.78 1wxl h ARG 25 Ca -0.00 -0.26 0.00 0.00 -1.26 0.00 0.00 59.98 58.46 1wxl h ARG 25 Cb 0.59 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 1wxl h ARG 25 CO 0.04 0.96 0.00 0.93 0.56 0.00 0.00 179.97 182.46 1wxl h GLU 26 N 1.01 0.00 -0.93 0.04 4.39 -1.13 -3.35 114.58 114.60 1wxl h GLU 26 Ca 0.21 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.72 1wxl h GLU 26 Cb 0.37 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 28.85 1wxl h GLU 26 CO 0.00 0.00 -0.53 0.09 -1.16 0.00 0.00 179.01 177.41 1wxl n ASN 27 N -2.57 -3.14 -2.77 1.42 3.02 -0.39 -5.04 115.26 105.78 1wxl n ASN 27 Ca 0.01 -2.95 -0.11 0.00 -0.03 0.00 0.00 54.58 51.50 1wxl n ASN 27 Cb 0.22 1.60 -0.04 0.00 -0.61 0.00 0.00 39.78 40.95 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 2.70 1.17 0.00 3.52 -0.02 0.17 -2.28 135.00 140.25 1wxl n PRO 28 Ca 0.17 -0.83 0.00 0.00 -2.02 0.00 0.00 63.50 60.82 1wxl n PRO 28 Cb 0.57 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 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 3.39 0.17 0.00 -1.23 0.00 -1.26 -5.10 105.19 101.16 1wxl n GLY 29 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -3.70 -0.61 -5.35 -0.97 -5.11 119.36 103.62 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 0.08 0.00 -0.07 0.00 -1.74 0.00 0.00 39.64 37.91 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 0.00 0.83 0.49 6.28 -0.14 -1.26 -5.00 119.74 120.95 1wxl s LYS 31 Ca 0.00 -0.29 0.44 0.00 -1.36 0.00 0.00 55.97 54.75 1wxl s LYS 31 Cb 0.00 0.37 1.55 0.00 -1.68 0.00 0.00 37.83 38.07 1wxl s LYS 31 CO 0.00 -0.27 1.42 1.55 -0.76 0.00 0.00 175.35 177.30 1wxl n VAL 32 N 0.78 -0.03 0.06 3.17 3.14 -1.26 0.20 118.33 124.38 1wxl n VAL 32 Ca -0.19 1.40 -0.06 0.00 -2.96 0.00 0.00 64.34 62.53 1wxl n VAL 32 Cb 0.58 -2.33 -0.10 0.00 -1.06 0.00 0.00 33.84 30.94 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 1.44 0.04 1.55 1.35 -1.99 -3.13 112.91 112.16 1wxl h THR 33 Ca 0.85 -3.11 -0.22 0.00 -0.55 0.00 0.00 66.41 63.38 1wxl h THR 33 Cb 3.33 2.70 -0.02 0.00 -1.73 0.00 0.00 68.15 72.44 1wxl h THR 33 CO -0.07 0.82 -1.02 -0.08 -0.25 0.00 0.00 175.52 174.92 1wxl h GLU 34 N 0.00 0.12 -0.63 4.72 4.57 0.18 -2.52 114.58 121.02 1wxl h GLU 34 Ca -0.05 -0.17 -0.08 0.00 -1.18 0.00 0.00 59.36 57.88 1wxl h GLU 34 Cb 1.74 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 30.37 1wxl h GLU 34 CO 0.11 1.03 0.09 0.82 -1.18 0.00 0.00 179.01 179.89 1wxl h ILE 35 N 0.04 1.26 0.00 2.32 2.04 -1.37 0.27 117.51 122.08 1wxl h ILE 35 Ca -0.05 -1.01 -0.06 0.00 1.00 0.00 0.00 64.86 64.73 1wxl h ILE 35 Cb 1.73 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.48 1wxl h ILE 35 CO 0.15 0.38 -0.41 0.00 0.00 0.00 0.00 178.15 178.26 1wxl h ALA 36 N 1.13 0.78 0.03 1.87 0.00 -1.56 -2.55 119.26 118.96 1wxl h ALA 36 Ca 0.19 -0.29 -0.24 0.00 0.00 0.00 0.00 54.91 54.58 1wxl h ALA 36 Cb 0.43 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1wxl h ALA 36 CO 0.01 0.38 -1.30 1.57 0.00 0.00 0.00 179.25 179.91 1wxl h LYS 37 N 0.00 0.06 0.48 0.00 2.10 -1.20 -3.31 116.57 114.69 1wxl h LYS 37 Ca -0.01 -0.10 -0.02 0.00 -2.00 0.00 0.00 60.65 58.52 1wxl h LYS 37 Cb 1.23 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1wxl h LYS 37 CO 0.04 1.05 -0.23 -0.22 -2.00 0.00 0.00 179.45 178.08 1wxl h LYS 38 N -0.80 -0.62 -0.95 0.07 3.64 -0.61 -2.72 116.57 114.59 1wxl h LYS 38 Ca -0.33 0.04 0.26 0.00 -1.27 0.00 0.00 60.65 59.34 1wxl h LYS 38 Cb 1.42 0.14 -0.17 0.00 -0.41 0.00 0.00 32.23 33.21 1wxl h LYS 38 CO -0.14 -0.40 0.04 0.78 -2.27 0.00 0.00 179.45 177.47 1wxl h GLY 39 N -0.68 1.20 0.52 5.01 0.00 -1.61 0.76 103.07 108.28 1wxl h GLY 39 Ca -0.07 0.14 0.10 0.00 0.00 0.00 0.00 47.33 47.50 1wxl h GLY 39 CO 0.11 -0.47 0.52 -1.33 0.00 0.00 0.00 176.54 175.36 1wxl h GLY 40 N 0.04 1.38 0.67 4.60 0.00 -1.58 1.12 103.07 109.30 1wxl h GLY 40 Ca 0.57 -0.35 0.05 0.00 0.00 0.00 0.00 47.33 47.60 1wxl h GLY 40 CO -0.87 0.15 0.16 1.05 0.00 0.00 0.00 176.54 177.03 1wxl h GLU 41 N 0.86 0.32 0.04 4.80 4.11 0.68 0.21 114.58 125.61 1wxl h GLU 41 Ca 0.42 -0.02 -0.23 0.00 0.07 0.00 0.00 59.36 59.60 1wxl h GLU 41 Cb 0.38 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1wxl h GLU 41 CO -0.25 0.21 -1.02 0.00 0.07 0.00 0.00 179.01 178.02 1wxl h MET 42 N 0.33 0.26 0.27 1.06 -0.00 -1.05 -3.34 114.93 112.47 1wxl h MET 42 Ca 0.19 -0.34 -0.01 0.00 -0.00 0.00 0.00 59.70 59.53 1wxl h MET 42 Cb 0.16 0.11 0.00 0.00 -0.00 0.00 0.00 31.60 31.87 1wxl h MET 42 CO -0.18 1.09 -0.13 2.35 -0.00 0.00 0.00 176.91 180.04 1wxl h TRP 43 N 0.12 -0.33 -1.37 -0.10 2.91 0.17 -3.00 115.95 114.35 1wxl h TRP 43 Ca -0.08 -0.01 0.45 0.00 1.13 0.00 0.00 58.89 60.38 1wxl h TRP 43 Cb 1.70 0.11 -0.11 0.00 -0.51 0.00 0.00 29.16 30.35 1wxl h TRP 43 CO 0.05 -0.06 0.91 1.63 -1.03 0.00 0.00 178.44 179.93 1wxl n LYS 44 N -5.15 -0.03 -2.76 2.65 4.01 0.69 0.58 118.16 118.16 1wxl n LYS 44 Ca -0.10 1.10 -0.28 0.00 -0.51 0.00 0.00 58.31 58.52 1wxl n LYS 44 Cb 0.23 -2.24 -0.02 0.00 -0.51 0.00 0.00 35.03 32.48 1wxl n LYS 44 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 1wxl n GLU 45 N -4.35 3.45 -4.62 1.97 0.28 -1.13 -5.03 120.64 111.21 1wxl n GLU 45 Ca 0.37 -4.71 -0.33 0.00 -0.16 0.00 0.00 57.16 52.33 1wxl n GLU 45 Cb 1.51 -2.26 -0.13 0.00 1.43 0.00 0.00 31.44 31.99 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 -3.58 2.99 0.00 -1.84 2.96 0.20 -4.99 118.68 114.42 1wxl s LEU 46 Ca 0.48 -0.20 0.22 0.00 -0.22 0.00 0.00 54.13 54.41 1wxl s LEU 46 Cb 0.31 -1.69 0.80 0.00 0.50 0.00 0.00 46.19 46.12 1wxl s LEU 46 CO -0.16 0.20 1.58 1.17 -1.32 0.00 0.00 176.35 177.83 1wxl n LYS 47 N 3.28 1.72 -0.12 1.98 3.00 -1.26 -2.66 118.16 124.11 1wxl n LYS 47 Ca -0.18 -1.08 0.07 0.00 -0.00 0.00 0.00 58.31 57.12 1wxl n LYS 47 Cb 0.53 -1.41 0.13 0.00 0.00 0.00 0.00 35.03 34.28 1wxl n LYS 47 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1wxl n ASP 48 N 0.31 2.72 0.03 3.14 -0.08 -1.26 -4.32 116.55 117.08 1wxl n ASP 48 Ca 0.17 -1.81 -0.09 0.00 -1.51 0.00 0.00 54.79 51.55 1wxl n ASP 48 Cb 0.34 -0.15 -0.13 0.00 2.34 0.00 0.00 41.12 43.51 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 2.74 0.03 0.00 -0.67 3.64 -1.86 1.40 116.57 121.86 1wxl h LYS 49 Ca 0.00 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.26 1wxl h LYS 49 Cb 0.71 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 1wxl h LYS 49 CO 0.00 0.81 -0.31 0.66 -2.27 0.00 0.00 179.45 178.35 1wxl h SER 50 N 0.01 0.00 0.19 4.20 4.64 -1.75 0.74 113.55 121.57 1wxl h SER 50 Ca -0.15 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.82 1wxl h SER 50 Cb 1.90 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.96 1wxl h SER 50 CO 0.11 0.31 -2.02 1.17 -0.87 0.00 0.00 176.83 175.53 1wxl n LYS 51 N -3.38 0.71 0.11 4.77 0.00 -1.18 -4.11 118.16 115.08 1wxl n LYS 51 Ca 0.01 0.24 -0.19 0.00 0.00 0.00 0.00 58.31 58.37 1wxl n LYS 51 Cb 0.51 -1.69 -0.13 0.00 0.00 0.00 0.00 35.03 33.72 1wxl n LYS 51 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.40 175.91 1wxl h TRP 52 N 0.04 0.74 -0.85 5.64 -0.00 0.20 -3.24 115.95 118.48 1wxl h TRP 52 Ca -0.42 -0.50 0.18 0.00 -0.00 0.00 0.00 58.89 58.15 1wxl h TRP 52 Cb 2.02 -0.05 -0.06 0.00 -0.00 0.00 0.00 29.16 31.08 1wxl h TRP 52 CO 0.05 1.37 0.56 0.93 -0.00 0.00 0.00 178.44 181.35 1wxl h GLU 53 N 0.16 0.42 -0.36 0.49 5.08 0.32 0.35 114.58 121.04 1wxl h GLU 53 Ca -0.16 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.13 1wxl h GLU 53 Cb 1.94 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 31.08 1wxl h GLU 53 CO 0.22 0.28 0.04 0.22 -1.00 0.00 0.00 179.01 178.77 1wxl h ASP 54 N 0.43 0.50 -0.58 1.42 1.82 -1.71 -0.24 116.42 118.07 1wxl h ASP 54 Ca 0.43 -0.08 0.03 0.00 -0.39 0.00 0.00 57.03 57.03 1wxl h ASP 54 Cb 1.03 -0.13 -0.04 0.00 0.68 0.00 0.00 39.33 40.87 1wxl h ASP 54 CO -0.16 0.54 0.34 0.00 -1.61 0.00 0.00 179.24 178.35 1wxl h ALA 55 N 1.53 0.75 0.40 -0.78 0.00 -0.42 0.31 119.26 121.05 1wxl h ALA 55 Ca 0.12 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1wxl h ALA 55 Cb 0.27 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1wxl h ALA 55 CO 0.00 0.05 -0.19 0.00 0.00 0.00 0.00 179.25 179.11 1wxl h ALA 56 N 1.27 -0.54 0.00 0.00 0.00 -0.95 0.37 119.26 119.42 1wxl h ALA 56 Ca 0.24 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1wxl h ALA 56 Cb 0.06 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1wxl h ALA 56 CO -0.12 -0.70 -0.34 0.00 0.00 0.00 0.00 179.25 178.09 1wxl h ALA 57 N -0.22 1.23 0.16 0.00 0.00 -1.03 -1.19 119.26 118.21 1wxl h ALA 57 Ca -0.05 -0.31 -0.29 0.00 0.00 0.00 0.00 54.91 54.25 1wxl h ALA 57 Cb 0.51 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1wxl h ALA 57 CO 0.09 0.42 -1.33 1.57 0.00 0.00 0.00 179.25 180.01 1wxl h LYS 58 N 0.00 0.34 0.03 0.00 2.10 -0.31 -2.83 116.57 115.91 1wxl h LYS 58 Ca -0.00 -0.58 -0.22 0.00 -2.00 0.00 0.00 60.65 57.85 1wxl h LYS 58 Cb 0.69 0.22 -0.01 0.00 -0.90 0.00 0.00 32.23 32.22 1wxl h LYS 58 CO 0.04 1.27 -0.98 0.22 -2.00 0.00 0.00 179.45 178.01 1wxl h ASP 59 N 0.09 0.25 0.21 7.07 3.58 -0.11 0.11 116.42 127.62 1wxl h ASP 59 Ca -0.17 -0.23 -0.13 0.00 0.42 0.00 0.00 57.03 56.92 1wxl h ASP 59 Cb 2.03 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.99 1wxl h ASP 59 CO 0.22 1.09 -0.50 0.07 -2.88 0.00 0.00 179.24 177.23 1wxl h LYS 60 N 0.08 0.34 -0.01 0.28 2.10 -1.32 0.28 116.57 118.32 1wxl h LYS 60 Ca -0.06 -0.20 -0.17 0.00 -2.00 0.00 0.00 60.65 58.23 1wxl h LYS 60 Cb 1.66 0.02 0.01 0.00 -0.90 0.00 0.00 32.23 33.02 1wxl h LYS 60 CO 0.15 0.77 -0.64 0.37 -2.00 0.00 0.00 179.45 178.09 1wxl h GLN 61 N 0.27 0.46 0.00 0.07 5.75 -1.47 -1.72 115.11 118.46 1wxl h GLN 61 Ca 0.01 -0.48 0.00 0.00 -0.15 0.00 0.00 58.65 58.04 1wxl h GLN 61 Cb 0.98 0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.66 1wxl h GLN 61 CO 0.08 1.12 0.00 -2.13 -2.65 0.00 0.00 178.83 175.26 1wxl n ARG 62 N -4.18 0.16 -0.07 1.69 0.63 0.39 -1.10 116.66 114.19 1wxl n ARG 62 Ca -0.10 0.21 -0.22 0.00 -0.92 0.00 0.00 57.85 56.82 1wxl n ARG 62 Cb 0.69 -1.72 -0.12 0.00 0.45 0.00 0.00 32.46 31.75 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 -2.01 0.91 0.60 -0.14 4.02 0.99 -3.77 117.16 117.76 1wxl n TYR 63 Ca 0.05 0.28 0.11 0.00 -0.01 0.00 0.00 57.90 58.33 1wxl n TYR 63 Cb 0.35 -1.11 0.44 0.00 -0.02 0.00 0.00 39.34 39.00 1wxl n TYR 63 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 176.86 173.46 1wxl n HIS 64 N -3.92 0.36 0.70 -0.72 1.44 -0.65 0.37 115.22 112.80 1wxl n HIS 64 Ca -0.36 0.13 0.13 0.00 -2.01 0.00 0.00 57.72 55.60 1wxl n HIS 64 Cb 0.88 -0.70 0.48 0.00 0.12 0.00 0.00 29.99 30.77 1wxl n HIS 64 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1wxl n ASP 65 N -1.81 0.45 0.00 4.39 9.92 -0.26 -4.25 116.55 124.99 1wxl n ASP 65 Ca 0.04 0.56 0.00 0.00 -0.53 0.00 0.00 54.79 54.86 1wxl n ASP 65 Cb 0.26 -0.67 0.00 0.00 -0.64 0.00 0.00 41.12 40.07 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 -1.94 0.00 -0.44 -1.24 0.28 -0.94 -4.91 120.64 111.45 1wxl n GLU 66 Ca 0.05 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.13 1wxl n GLU 66 Cb 0.35 0.00 0.26 0.00 1.43 0.00 0.00 31.44 33.48 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 -0.33 3.21 -0.38 3.44 2.81 0.49 -4.56 117.12 121.79 1wxl n MET 67 Ca 0.00 -2.69 -0.04 0.00 -1.81 0.00 0.00 57.70 53.16 1wxl n MET 67 Cb 0.00 -1.75 -0.01 0.00 -0.71 0.00 0.00 33.22 30.75 1wxl n MET 67 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 1wxl n ARG 68 N 0.06 -0.30 -0.20 0.03 0.00 1.18 -1.71 116.66 115.72 1wxl n ARG 68 Ca 0.20 1.48 0.09 0.00 -0.00 0.00 0.00 57.85 59.62 1wxl n ARG 68 Cb 0.81 -2.18 0.14 0.00 -0.00 0.00 0.00 32.46 31.23 1wxl n ARG 68 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1wxl n ASN 69 N -5.35 2.09 0.28 2.89 0.23 -1.26 -4.72 115.26 109.42 1wxl n ASN 69 Ca 0.07 -3.16 0.13 0.00 -0.53 0.00 0.00 54.58 51.09 1wxl n ASN 69 Cb 0.34 -0.43 0.81 0.00 -2.08 0.00 0.00 39.78 38.41 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 0.18 0.00 -3.30 -2.53 -1.99 -1.57 -3.42 116.97 104.34 1wxl h TYR 70 Ca -0.00 0.00 -0.56 0.00 2.00 0.00 0.00 58.73 60.16 1wxl h TYR 70 Cb 1.03 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.72 1wxl h TYR 70 CO 0.14 0.05 0.01 0.21 -0.00 0.00 0.00 178.16 178.57 1wxl s LYS 71 N -4.54 4.29 -0.78 4.88 2.20 -1.26 -4.96 119.74 119.58 1wxl s LYS 71 Ca -0.04 0.82 -0.22 0.00 -0.36 0.00 0.00 55.97 56.17 1wxl s LYS 71 Cb 0.15 -3.26 -0.16 0.00 -1.51 0.00 0.00 37.83 33.05 1wxl s LYS 71 CO 0.58 0.57 1.92 -0.35 -0.36 0.00 0.00 175.35 177.71 1wxl n PRO 72 N 1.89 1.48 -1.74 4.03 -0.04 -1.26 -4.93 135.00 134.43 1wxl n PRO 72 Ca -0.09 -1.87 -0.39 0.00 -0.04 0.00 0.00 63.50 61.12 1wxl n PRO 72 Cb 0.50 -2.96 0.04 0.00 -0.04 0.00 0.00 33.50 31.05 1wxl n PRO 72 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1wxl n GLU 73 N 7.10 1.63 0.00 0.54 2.13 -1.26 -5.26 120.64 125.52 1wxl n GLU 73 Ca 0.49 0.60 0.00 0.00 0.66 0.00 0.00 57.16 58.92 1wxl n GLU 73 Cb 0.41 -2.55 0.00 0.00 0.27 0.00 0.00 31.44 29.57 1wxl n GLU 73 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72