#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wxl s HIS 3 N 0.00 -1.07 -0.62 0.66 0.09 -1.26 -5.09 115.29 108.00 1wxl s HIS 3 Ca 0.00 0.14 0.05 0.00 -0.00 0.00 0.00 55.06 55.25 1wxl s HIS 3 Cb 0.00 -0.08 0.15 0.00 -0.00 0.00 0.00 32.58 32.65 1wxl s HIS 3 CO 0.00 -1.03 0.39 -1.64 -0.00 0.00 0.00 174.74 172.46 1wxl s MET 4 N 2.21 2.23 -0.02 1.40 1.00 -1.26 -4.83 119.30 120.03 1wxl s MET 4 Ca 0.12 -3.01 -0.05 0.00 0.00 0.00 0.00 55.69 52.75 1wxl s MET 4 Cb -0.11 -3.34 -0.20 0.00 0.00 0.00 0.00 34.83 31.18 1wxl s MET 4 CO -0.20 -1.21 3.24 -2.30 0.00 0.00 0.00 175.02 174.55 1wxl n PRO 5 N 2.48 1.81 -0.97 2.03 -0.02 -1.26 -4.69 135.00 134.38 1wxl n PRO 5 Ca 0.13 -0.85 -0.11 0.00 -2.02 0.00 0.00 63.50 60.65 1wxl n PRO 5 Cb 0.34 -1.79 -0.15 0.00 -0.02 0.00 0.00 33.50 31.87 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 2.20 1.92 -0.04 -0.52 2.85 -1.25 -4.46 118.16 118.86 1wxl n LYS 6 Ca 0.34 -0.94 0.00 0.00 -1.05 0.00 0.00 58.31 56.66 1wxl n LYS 6 Cb 0.81 -1.92 -0.00 0.00 -0.65 0.00 0.00 35.03 33.27 1wxl n LYS 6 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1wxl n ARG 7 N 2.39 -0.11 -2.43 -1.58 1.74 -1.26 -5.04 116.66 110.37 1wxl n ARG 7 Ca 0.40 0.08 -0.23 0.00 -0.77 0.00 0.00 57.85 57.33 1wxl n ARG 7 Cb 0.88 -0.11 0.12 0.00 -1.02 0.00 0.00 32.46 32.34 1wxl n ARG 7 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wxl n ALA 8 N -1.63 0.04 -2.60 7.54 0.00 -1.26 -5.00 120.51 117.60 1wxl n ALA 8 Ca -0.00 -1.87 -0.43 0.00 0.00 0.00 0.00 53.44 51.15 1wxl n ALA 8 Cb 0.01 0.28 -0.04 0.00 0.00 0.00 0.00 19.45 19.70 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 -3.04 4.56 0.82 0.00 2.01 -1.26 -4.86 115.64 113.86 1wxl s THR 9 Ca 0.65 1.10 -0.13 0.00 0.31 0.00 0.00 61.69 63.61 1wxl s THR 9 Cb -0.03 -4.36 0.07 0.00 0.01 0.00 0.00 72.50 68.19 1wxl s THR 9 CO 0.43 -0.60 1.04 0.35 -0.69 0.00 0.00 174.62 175.15 1wxl n THR 10 N 6.08 1.67 -0.31 -0.82 -2.24 -1.26 -3.67 114.28 113.72 1wxl n THR 10 Ca 0.07 -0.21 0.15 0.00 -2.27 0.00 0.00 64.05 61.79 1wxl n THR 10 Cb 0.48 -1.08 0.31 0.00 -2.10 0.00 0.00 70.33 67.95 1wxl n THR 10 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wxl h ALA 11 N -0.98 1.30 -0.02 6.98 0.00 -1.86 1.78 119.26 126.47 1wxl h ALA 11 Ca -0.46 0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 1wxl h ALA 11 Cb 1.30 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 19.50 1wxl h ALA 11 CO 0.44 -0.56 -0.61 0.35 0.00 0.00 0.00 179.25 178.87 1wxl h PHE 12 N 0.11 0.08 0.05 0.00 3.04 -1.93 -2.67 116.94 115.61 1wxl h PHE 12 Ca 0.59 -0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.51 1wxl h PHE 12 Cb 1.25 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.75 1wxl h PHE 12 CO -0.33 0.66 -0.03 1.98 -2.02 0.00 0.00 178.31 178.57 1wxl h MET 13 N 0.04 -0.07 -0.73 1.11 4.05 0.19 -0.22 114.93 119.31 1wxl h MET 13 Ca -0.01 0.00 0.21 0.00 -0.28 0.00 0.00 59.70 59.63 1wxl h MET 13 Cb 1.09 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.88 1wxl h MET 13 CO 0.08 -0.05 0.55 1.37 0.23 0.00 0.00 176.91 179.10 1wxl h LEU 14 N -0.73 0.00 0.11 3.39 -0.00 0.11 1.28 115.31 119.47 1wxl h LEU 14 Ca -0.01 0.00 -0.27 0.00 -0.00 0.00 0.00 57.88 57.60 1wxl h LEU 14 Cb 0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.71 1wxl h LEU 14 CO 0.01 0.00 -1.40 -0.25 -0.00 0.00 0.00 178.44 176.80 1wxl h TRP 15 N 0.00 0.44 0.00 0.17 7.01 -1.59 -3.21 115.95 118.77 1wxl h TRP 15 Ca 0.35 -0.32 0.00 0.00 2.11 0.00 0.00 58.89 61.03 1wxl h TRP 15 Cb 1.45 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 28.49 1wxl h TRP 15 CO 0.00 1.55 0.00 1.25 -2.79 0.00 0.00 178.44 178.45 1wxl h LEU 16 N -0.31 0.00 0.06 0.65 5.85 0.66 0.26 115.31 122.48 1wxl h LEU 16 Ca -0.30 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.42 1wxl h LEU 16 Cb 1.75 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.78 1wxl h LEU 16 CO 0.06 0.00 -0.03 0.78 -0.34 0.00 0.00 178.44 178.91 1wxl h ASN 17 N 0.00 -0.06 1.00 1.25 2.35 0.15 7.27 115.58 127.54 1wxl h ASN 17 Ca 0.00 -0.56 -0.06 0.00 -0.55 0.00 0.00 56.30 55.13 1wxl h ASN 17 Cb 0.23 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1wxl h ASN 17 CO 0.00 0.57 -0.28 0.44 -1.65 0.00 0.00 177.43 176.52 1wxl h ASP 18 N -0.75 0.00 0.00 5.81 3.32 -1.44 -3.04 116.42 120.32 1wxl h ASP 18 Ca -0.01 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 1wxl h ASP 18 Cb 0.62 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 1wxl h ASP 18 CO 0.01 0.28 -1.92 0.41 -1.72 0.00 0.00 179.24 176.30 1wxl n THR 19 N -3.39 0.26 -0.23 0.35 -1.04 0.88 -4.17 114.28 106.95 1wxl n THR 19 Ca 0.00 -0.49 0.15 0.00 -2.04 0.00 0.00 64.05 61.67 1wxl n THR 19 Cb 0.48 -0.06 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 0.53 -0.46 -2.82 2.43 1.55 1.97 114.38 117.57 1wxl h ARG 20 Ca -0.10 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 58.93 1wxl h ARG 20 Cb 1.12 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.53 1wxl h ARG 20 CO 0.01 0.35 -0.13 1.05 -1.51 0.00 0.00 179.97 179.73 1wxl h GLU 21 N 0.54 0.85 0.00 0.20 4.11 -1.71 -2.50 114.58 116.08 1wxl h GLU 21 Ca 0.43 -0.30 -0.02 0.00 0.07 0.00 0.00 59.36 59.53 1wxl h GLU 21 Cb 0.86 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 1wxl h GLU 21 CO -0.17 0.94 -0.11 0.77 0.07 0.00 0.00 179.01 180.50 1wxl h SER 22 N 0.76 0.00 0.15 3.06 0.02 0.26 -2.86 113.55 114.95 1wxl h SER 22 Ca 0.12 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.87 1wxl h SER 22 Cb 0.64 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.21 1wxl h SER 22 CO 0.04 0.11 -0.88 0.40 -1.14 0.00 0.00 176.83 175.36 1wxl h ILE 23 N 0.00 1.49 0.00 3.27 2.04 0.73 -2.22 117.51 122.83 1wxl h ILE 23 Ca -0.00 -2.56 -0.07 0.00 1.00 0.00 0.00 64.86 63.23 1wxl h ILE 23 Cb 0.69 3.19 -0.01 0.00 -0.74 0.00 0.00 36.82 39.95 1wxl h ILE 23 CO 0.01 0.73 -0.33 0.50 0.00 0.00 0.00 178.15 179.06 1wxl h LYS 24 N -0.32 0.00 -0.20 2.37 1.63 -1.46 -0.53 116.57 118.06 1wxl h LYS 24 Ca -0.15 0.00 -0.17 0.00 -0.85 0.00 0.00 60.65 59.48 1wxl h LYS 24 Cb 1.70 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.33 1wxl h LYS 24 CO 0.16 0.33 -0.52 0.00 -3.45 0.00 0.00 179.45 175.97 1wxl h ARG 25 N 0.00 0.71 0.00 1.90 3.08 -1.57 0.61 114.38 119.11 1wxl h ARG 25 Ca -0.00 -0.50 0.00 0.00 0.07 0.00 0.00 59.98 59.55 1wxl h ARG 25 Cb 0.63 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1wxl h ARG 25 CO 0.04 1.12 0.00 0.39 -1.07 0.00 0.00 179.97 180.45 1wxl n GLU 26 N -4.12 0.18 -2.84 0.04 -0.58 -0.83 -3.76 120.64 108.71 1wxl n GLU 26 Ca -0.06 0.52 -0.09 0.00 -0.42 0.00 0.00 57.16 57.11 1wxl n GLU 26 Cb 0.61 -1.92 0.01 0.00 -0.57 0.00 0.00 31.44 29.57 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 -2.27 -2.78 -2.53 1.62 3.02 -0.26 -5.04 115.26 107.02 1wxl n ASN 27 Ca 0.01 -2.98 -0.06 0.00 -0.03 0.00 0.00 54.58 51.51 1wxl n ASN 27 Cb 0.15 1.42 -0.04 0.00 -0.61 0.00 0.00 39.78 40.69 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 2.41 0.80 -0.01 3.52 -0.02 0.21 -2.22 135.00 139.69 1wxl n PRO 28 Ca 0.16 -0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.13 1wxl n PRO 28 Cb 0.57 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 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 3.09 0.28 0.00 -1.23 0.00 -1.26 -5.08 105.19 100.99 1wxl n GLY 29 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.74 -0.61 -5.35 -0.94 -5.11 119.36 103.61 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 0.14 0.00 -0.08 0.00 -1.74 0.00 0.00 39.64 37.96 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 0.08 0.73 0.36 6.28 -2.85 -1.26 -5.00 119.74 118.08 1wxl s LYS 31 Ca 0.00 -0.21 0.29 0.00 -1.00 0.00 0.00 55.97 55.05 1wxl s LYS 31 Cb 0.00 0.32 1.20 0.00 -2.06 0.00 0.00 37.83 37.30 1wxl s LYS 31 CO 0.00 -0.21 1.21 1.55 0.10 0.00 0.00 175.35 178.00 1wxl n VAL 32 N 1.13 -0.15 0.11 1.79 3.14 -1.26 0.22 118.33 123.31 1wxl n VAL 32 Ca -0.21 1.34 0.02 0.00 -2.96 0.00 0.00 64.34 62.53 1wxl n VAL 32 Cb 0.57 -2.21 -0.01 0.00 -1.06 0.00 0.00 33.84 31.13 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 0.76 -0.01 1.55 1.35 -2.00 -3.22 112.91 111.35 1wxl h THR 33 Ca 0.70 -2.14 -0.19 0.00 -0.55 0.00 0.00 66.41 64.22 1wxl h THR 33 Cb 2.38 2.31 -0.01 0.00 -1.73 0.00 0.00 68.15 71.10 1wxl h THR 33 CO -0.28 0.43 -0.84 -0.08 -0.25 0.00 0.00 175.52 174.50 1wxl h GLU 34 N 0.00 0.19 -0.38 4.72 4.81 0.23 -2.72 114.58 121.44 1wxl h GLU 34 Ca -0.04 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 58.96 1wxl h GLU 34 Cb 1.43 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.85 1wxl h GLU 34 CO 0.06 0.92 0.15 0.82 -0.73 0.00 0.00 179.01 180.23 1wxl h ILE 35 N 0.11 1.19 0.00 2.32 2.04 -1.49 0.29 117.51 121.98 1wxl h ILE 35 Ca -0.04 -0.61 -0.05 0.00 1.00 0.00 0.00 64.86 65.16 1wxl h ILE 35 Cb 1.45 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 1wxl h ILE 35 CO 0.13 0.22 -0.25 0.00 0.00 0.00 0.00 178.15 178.24 1wxl h ALA 36 N 0.99 1.22 0.00 1.87 0.00 -1.55 -1.83 119.26 119.96 1wxl h ALA 36 Ca 0.12 -0.23 -0.28 0.00 0.00 0.00 0.00 54.91 54.52 1wxl h ALA 36 Cb 0.20 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1wxl h ALA 36 CO -0.01 0.31 -1.60 0.36 0.00 0.00 0.00 179.25 178.31 1wxl n LYS 37 N -3.70 0.56 0.02 0.00 2.85 -1.02 -3.46 118.16 113.42 1wxl n LYS 37 Ca -0.01 0.47 0.07 0.00 -1.05 0.00 0.00 58.31 57.79 1wxl n LYS 37 Cb 0.36 -1.66 0.30 0.00 -0.65 0.00 0.00 35.03 33.39 1wxl n LYS 37 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 1wxl n LYS 38 N -4.39 0.03 -0.04 -1.58 -0.00 0.10 -2.53 118.16 109.75 1wxl n LYS 38 Ca -0.37 0.32 -0.22 0.00 -0.00 0.00 0.00 58.31 58.04 1wxl n LYS 38 Cb 0.72 -1.56 -0.13 0.00 -0.00 0.00 0.00 35.03 34.05 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 -0.23 -0.67 0.32 2.58 0.00 -0.69 -3.93 105.19 102.58 1wxl n GLY 39 Ca 0.03 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 46.00 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 0.27 1.47 0.63 -0.02 0.00 -1.52 0.89 103.07 104.79 1wxl h GLY 40 Ca -0.40 -0.28 0.06 0.00 0.00 0.00 0.00 47.33 46.71 1wxl h GLY 40 CO -0.03 -0.03 0.29 1.05 0.00 0.00 0.00 176.54 177.82 1wxl h GLU 41 N 0.67 0.52 -0.02 4.80 4.11 -1.70 0.18 114.58 123.15 1wxl h GLU 41 Ca 0.49 -0.03 -0.21 0.00 0.07 0.00 0.00 59.36 59.68 1wxl h GLU 41 Cb 0.69 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1wxl h GLU 41 CO -0.36 0.35 -0.86 0.00 0.07 0.00 0.00 179.01 178.20 1wxl h MET 42 N 0.54 0.35 0.53 1.06 -0.00 -1.11 -3.32 114.93 112.98 1wxl h MET 42 Ca 0.27 -0.35 -0.03 0.00 -0.00 0.00 0.00 59.70 59.60 1wxl h MET 42 Cb 0.21 0.09 0.01 0.00 -0.00 0.00 0.00 31.60 31.91 1wxl h MET 42 CO -0.20 1.02 -0.25 2.35 -0.00 0.00 0.00 176.91 179.83 1wxl h TRP 43 N 0.21 -0.66 -0.42 -0.10 2.91 0.15 -2.69 115.95 115.34 1wxl h TRP 43 Ca -0.06 -0.02 0.12 0.00 1.13 0.00 0.00 58.89 60.07 1wxl h TRP 43 Cb 1.48 0.22 -0.02 0.00 -0.51 0.00 0.00 29.16 30.33 1wxl h TRP 43 CO 0.05 -0.35 0.59 -0.22 -1.03 0.00 0.00 178.44 177.48 1wxl h LYS 44 N -0.86 0.00 -1.03 2.65 3.64 -0.78 0.10 116.57 120.28 1wxl h LYS 44 Ca -0.07 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.72 1wxl h LYS 44 Cb 0.60 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.02 1wxl h LYS 44 CO 0.12 0.00 -0.49 -0.85 -2.27 0.00 0.00 179.45 175.96 1wxl n GLU 45 N -3.40 3.41 -4.41 1.90 0.28 -1.03 -5.01 120.64 112.37 1wxl n GLU 45 Ca 0.08 -4.11 -0.19 0.00 -0.16 0.00 0.00 57.16 52.78 1wxl n GLU 45 Cb 0.76 -2.27 -0.14 0.00 1.43 0.00 0.00 31.44 31.21 1wxl n GLU 45 CO 0.00 0.00 0.00 -0.48 -0.16 0.00 0.00 177.13 176.49 1wxl s LEU 46 N -3.64 2.07 -0.16 -1.84 2.34 0.02 -4.99 118.68 112.48 1wxl s LEU 46 Ca 0.52 -0.27 0.07 0.00 0.06 0.00 0.00 54.13 54.51 1wxl s LEU 46 Cb 0.42 -0.54 0.47 0.00 -0.56 0.00 0.00 46.19 45.98 1wxl s LEU 46 CO -0.05 0.09 1.28 0.29 -1.06 0.00 0.00 176.35 176.90 1wxl n LYS 47 N 2.53 3.09 -0.00 1.48 4.01 -1.26 -3.27 118.16 124.74 1wxl n LYS 47 Ca -0.15 -1.85 0.07 0.00 -0.51 0.00 0.00 58.31 55.87 1wxl n LYS 47 Cb 0.56 -1.92 -0.09 0.00 -0.51 0.00 0.00 35.03 33.07 1wxl n LYS 47 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1wxl n ASP 48 N 0.25 1.08 0.16 4.39 -0.08 -1.26 -4.30 116.55 116.78 1wxl n ASP 48 Ca 0.19 -0.51 0.02 0.00 -1.51 0.00 0.00 54.79 52.99 1wxl n ASP 48 Cb 0.86 1.24 0.19 0.00 2.34 0.00 0.00 41.12 45.76 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 0.00 0.00 0.00 -0.67 3.11 -1.86 1.02 116.57 118.17 1wxl h LYS 49 Ca 0.00 0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 57.78 1wxl h LYS 49 Cb 0.44 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.66 1wxl h LYS 49 CO 0.00 0.51 -0.30 0.77 -2.81 0.00 0.00 179.45 177.62 1wxl h SER 50 N 0.00 0.00 0.22 4.20 0.02 -1.78 1.38 113.55 117.59 1wxl h SER 50 Ca -0.01 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1wxl h SER 50 Cb 1.13 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.66 1wxl h SER 50 CO 0.07 0.30 -1.80 1.17 -1.14 0.00 0.00 176.83 175.43 1wxl n LYS 51 N -3.44 0.65 -0.13 3.45 0.00 -0.86 -4.22 118.16 113.61 1wxl n LYS 51 Ca 0.00 -0.12 -0.23 0.00 0.00 0.00 0.00 58.31 57.96 1wxl n LYS 51 Cb 0.48 -1.59 -0.10 0.00 0.00 0.00 0.00 35.03 33.82 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 -2.37 0.00 -0.12 5.64 8.01 0.35 -4.26 117.44 124.69 1wxl n TRP 52 Ca -0.04 0.00 0.22 0.00 -1.31 0.00 0.00 57.50 56.37 1wxl n TRP 52 Cb 0.59 -0.95 0.65 0.00 -2.01 0.00 0.00 31.31 29.58 1wxl n TRP 52 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.69 177.73 1wxl h GLU 53 N -0.48 0.12 -0.13 -0.99 -0.00 0.17 0.55 114.58 113.81 1wxl h GLU 53 Ca -0.61 -0.01 -0.11 0.00 -0.00 0.00 0.00 59.36 58.63 1wxl h GLU 53 Cb 1.72 -0.03 -0.01 0.00 -0.00 0.00 0.00 28.75 30.43 1wxl h GLU 53 CO -0.25 0.08 -0.38 -0.44 -0.00 0.00 0.00 179.01 178.02 1wxl h ASP 54 N 0.12 0.30 -0.58 3.06 3.32 -1.73 -2.28 116.42 118.62 1wxl h ASP 54 Ca 0.36 -0.12 0.07 0.00 0.02 0.00 0.00 57.03 57.35 1wxl h ASP 54 Cb 1.23 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 40.64 1wxl h ASP 54 CO -0.05 0.66 0.27 0.00 -1.72 0.00 0.00 179.24 178.40 1wxl h ALA 55 N 1.36 0.75 -0.20 3.45 0.00 -0.07 0.23 119.26 124.79 1wxl h ALA 55 Ca 0.03 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1wxl h ALA 55 Cb 0.79 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 1wxl h ALA 55 CO 0.06 -0.11 -0.13 0.00 0.00 0.00 0.00 179.25 179.08 1wxl h ALA 56 N 1.35 0.02 0.00 0.00 0.00 -1.27 1.22 119.26 120.58 1wxl h ALA 56 Ca 0.27 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1wxl h ALA 56 Cb 0.25 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1wxl h ALA 56 CO -0.22 -0.56 0.00 0.00 0.00 0.00 0.00 179.25 178.47 1wxl n ALA 57 N -2.57 1.57 -0.04 0.00 0.00 -0.71 -0.66 120.51 118.09 1wxl n ALA 57 Ca -0.02 0.07 -0.20 0.00 0.00 0.00 0.00 53.44 53.29 1wxl n ALA 57 Cb 0.20 -1.34 -0.13 0.00 0.00 0.00 0.00 19.45 18.18 1wxl n ALA 57 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1wxl n LYS 58 N -2.08 0.72 0.08 0.00 2.85 0.73 -3.51 118.16 116.95 1wxl n LYS 58 Ca 0.02 0.23 -0.18 0.00 -1.05 0.00 0.00 58.31 57.33 1wxl n LYS 58 Cb 0.19 -1.65 -0.14 0.00 -0.65 0.00 0.00 35.03 32.78 1wxl n LYS 58 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 1wxl h ASP 59 N 0.03 0.46 -0.43 -5.58 1.82 0.15 -2.01 116.42 110.87 1wxl h ASP 59 Ca -0.48 -0.60 -0.13 0.00 -0.39 0.00 0.00 57.03 55.43 1wxl h ASP 59 Cb 1.98 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 41.83 1wxl h ASP 59 CO 0.02 1.49 -0.25 0.07 -1.61 0.00 0.00 179.24 178.97 1wxl h LYS 60 N 0.08 0.93 0.00 0.28 2.10 -1.09 0.31 116.57 119.18 1wxl h LYS 60 Ca -0.23 -0.42 -0.07 0.00 -2.00 0.00 0.00 60.65 57.92 1wxl h LYS 60 Cb 2.03 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 33.33 1wxl h LYS 60 CO 0.18 1.08 -0.33 0.37 -2.00 0.00 0.00 179.45 178.76 1wxl h GLN 61 N 0.76 0.00 0.00 0.07 4.15 -1.66 -0.14 115.11 118.29 1wxl h GLN 61 Ca 0.09 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.51 1wxl h GLN 61 Cb 0.83 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.52 1wxl h GLN 61 CO 0.07 0.33 -0.82 -0.09 -1.93 0.00 0.00 178.83 176.39 1wxl h ARG 62 N 0.00 0.00 0.11 1.69 2.43 -0.86 -1.93 114.38 115.81 1wxl h ARG 62 Ca -0.00 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.96 1wxl h ARG 62 Cb 0.64 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.19 1wxl h ARG 62 CO 0.04 0.00 -1.01 -0.92 -1.51 0.00 0.00 179.97 176.57 1wxl h TYR 63 N 0.00 0.41 -0.01 2.20 3.20 0.17 -3.30 116.97 119.63 1wxl h TYR 63 Ca 0.00 -0.30 -0.14 0.00 3.14 0.00 0.00 58.73 61.43 1wxl h TYR 63 Cb 0.87 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.11 1wxl h TYR 63 CO 0.00 1.39 -0.67 1.12 -1.64 0.00 0.00 178.16 178.36 1wxl h HIS 64 N -0.45 0.06 0.00 -3.82 2.07 -1.18 2.31 115.15 114.14 1wxl h HIS 64 Ca -0.21 -0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.28 1wxl h HIS 64 Cb 1.60 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 31.57 1wxl h HIS 64 CO 0.17 0.70 0.01 -0.25 -3.07 0.00 0.00 177.93 175.50 1wxl n ASP 65 N -3.76 0.00 0.00 3.10 9.92 -0.73 -3.06 116.55 122.02 1wxl n ASP 65 Ca -0.01 0.27 0.00 0.00 -0.53 0.00 0.00 54.79 54.52 1wxl n ASP 65 Cb 0.66 -0.27 0.00 0.00 -0.64 0.00 0.00 41.12 40.87 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 -1.26 0.00 -0.12 -1.24 0.28 -1.11 -4.94 120.64 112.24 1wxl n GLU 66 Ca 0.00 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.06 1wxl n GLU 66 Cb 0.01 0.00 0.08 0.00 1.43 0.00 0.00 31.44 32.96 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 -0.27 1.34 -0.30 3.44 2.81 0.70 -4.79 117.12 120.04 1wxl n MET 67 Ca 0.00 -1.97 0.09 0.00 -1.81 0.00 0.00 57.70 54.01 1wxl n MET 67 Cb 0.00 -1.17 0.21 0.00 -0.71 0.00 0.00 33.22 31.56 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 0.00 0.07 -0.79 0.03 0.11 0.94 0.97 114.38 115.71 1wxl h ARG 68 Ca 0.00 -0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.89 1wxl h ARG 68 Cb 0.97 -0.02 -0.11 0.00 1.11 0.00 0.00 29.97 31.92 1wxl h ARG 68 CO 0.00 0.04 0.24 0.27 0.10 0.00 0.00 179.97 180.62 1wxl n ASN 69 N -5.41 4.53 -4.48 0.08 0.23 -1.26 -4.81 115.26 104.14 1wxl n ASN 69 Ca 0.18 -3.05 -0.43 0.00 -0.53 0.00 0.00 54.58 50.74 1wxl n ASN 69 Cb 0.59 -0.72 -0.06 0.00 -2.08 0.00 0.00 39.78 37.51 1wxl n ASN 69 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 1wxl s TYR 70 N -2.67 3.02 -0.43 -2.53 6.14 0.34 -5.03 117.35 116.19 1wxl s TYR 70 Ca 0.48 -0.28 -0.18 0.00 0.64 0.00 0.00 57.07 57.73 1wxl s TYR 70 Cb 0.39 -3.54 0.02 0.00 0.42 0.00 0.00 41.96 39.25 1wxl s TYR 70 CO 0.12 -1.02 0.48 -1.59 0.64 0.00 0.00 175.55 174.18 1wxl s LYS 71 N 2.89 3.12 0.00 4.97 0.00 -1.26 -3.87 119.74 125.59 1wxl s LYS 71 Ca 0.20 -0.71 0.00 0.00 0.00 0.00 0.00 55.97 55.46 1wxl s LYS 71 Cb -0.16 -3.97 0.00 0.00 0.00 0.00 0.00 37.83 33.69 1wxl s LYS 71 CO 0.16 -0.90 0.00 -2.30 0.00 0.00 0.00 175.35 172.31 1wxl n PRO 72 N 5.73 -0.10 0.10 1.78 -0.02 -1.26 -4.87 135.00 136.36 1wxl n PRO 72 Ca -0.06 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.39 1wxl n PRO 72 Cb 0.47 0.00 0.19 0.00 -0.02 0.00 0.00 33.50 34.15 1wxl n PRO 72 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1wxl h GLU 73 N 0.00 0.21 0.00 -0.52 4.22 -1.98 -3.52 114.58 113.00 1wxl h GLU 73 Ca 0.00 -0.12 0.00 0.00 0.08 0.00 0.00 59.36 59.32 1wxl h GLU 73 Cb 0.00 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1wxl h GLU 73 CO 0.00 0.66 0.00 0.00 -2.18 0.00 0.00 179.01 177.49