#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wx9 n SER 2 N 0.00 -3.58 -4.82 1.61 7.64 -1.26 -5.03 113.62 108.19 1wx9 n SER 2 Ca 0.00 1.25 -0.22 0.00 1.01 0.00 0.00 58.87 60.92 1wx9 n SER 2 Cb 0.00 -4.49 -0.04 0.00 -1.01 0.00 0.00 64.21 58.67 1wx9 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wx9 s SER 3 N -0.81 5.06 0.55 6.43 0.15 -1.26 -5.01 113.70 118.81 1wx9 s SER 3 Ca -0.16 -0.63 0.00 0.00 0.70 0.00 0.00 55.95 55.85 1wx9 s SER 3 Cb 0.01 -0.82 0.00 0.00 -1.71 0.00 0.00 66.02 63.50 1wx9 s SER 3 CO 0.62 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 175.28 1wx9 n GLY 4 N -1.34 -4.63 3.34 9.45 0.00 -1.26 -4.62 105.19 106.13 1wx9 n GLY 4 Ca -0.01 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 1wx9 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wx9 n SER 5 N -1.10 5.08 -3.63 1.61 2.88 -1.26 -4.88 113.62 112.33 1wx9 n SER 5 Ca 0.00 -2.99 -0.27 0.00 -1.33 0.00 0.00 58.87 54.28 1wx9 n SER 5 Cb 0.06 -1.59 -0.17 0.00 -0.75 0.00 0.00 64.21 61.76 1wx9 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wx9 s SER 6 N 2.71 2.67 0.00 -3.46 0.15 -1.26 -5.11 113.70 109.40 1wx9 s SER 6 Ca 0.44 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 56.32 1wx9 s SER 6 Cb 0.02 -0.35 0.00 0.00 -1.71 0.00 0.00 66.02 63.98 1wx9 s SER 6 CO 0.01 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.71 1wx9 n GLY 7 N 5.22 1.03 3.72 9.45 0.00 -1.26 -4.99 105.19 118.35 1wx9 n GLY 7 Ca -0.07 -1.20 -0.35 0.00 0.00 0.00 0.00 46.02 44.40 1wx9 n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wx9 s LEU 8 N 0.00 3.89 0.05 0.99 0.20 -0.74 -4.95 118.68 118.13 1wx9 s LEU 8 Ca 0.00 0.21 -0.18 0.00 0.69 0.00 0.00 54.13 54.84 1wx9 s LEU 8 Cb 0.00 -1.94 -0.06 0.00 -0.43 0.00 0.00 46.19 43.75 1wx9 s LEU 8 CO 0.00 0.30 0.53 -0.70 -0.29 0.00 0.00 176.35 176.19 1wx9 s GLU 9 N -0.41 4.14 -0.05 1.98 2.12 -1.26 -1.68 118.70 123.55 1wx9 s GLU 9 Ca 0.09 0.66 -0.02 0.00 0.36 0.00 0.00 54.97 56.07 1wx9 s GLU 9 Cb -0.12 -3.24 0.04 0.00 0.26 0.00 0.00 34.13 31.07 1wx9 s GLU 9 CO 0.02 0.64 0.09 0.08 -0.54 0.00 0.00 175.26 175.55 1wx9 s VAL 10 N -1.07 -0.12 0.17 3.70 1.01 0.35 0.18 120.40 124.62 1wx9 s VAL 10 Ca 0.28 0.31 0.03 0.00 0.00 0.00 0.00 61.98 62.60 1wx9 s VAL 10 Cb -0.19 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.98 1wx9 s VAL 10 CO 0.18 0.13 0.28 -0.76 0.00 0.00 0.00 175.10 174.92 1wx9 s LEU 11 N 1.71 4.26 -0.08 3.92 1.02 -0.42 0.15 118.68 129.23 1wx9 s LEU 11 Ca -0.02 0.10 -0.02 0.00 0.02 0.00 0.00 54.13 54.21 1wx9 s LEU 11 Cb -0.12 -2.83 0.04 0.00 0.02 0.00 0.00 46.19 43.30 1wx9 s LEU 11 CO -0.04 0.03 0.04 -0.69 0.02 0.00 0.00 176.35 175.71 1wx9 s VAL 12 N -1.80 0.09 -0.39 -1.59 1.01 -0.83 -1.64 120.40 115.26 1wx9 s VAL 12 Ca 0.34 0.16 -0.09 0.00 0.00 0.00 0.00 61.98 62.40 1wx9 s VAL 12 Cb -0.10 -0.40 0.06 0.00 0.00 0.00 0.00 36.38 35.93 1wx9 s VAL 12 CO 0.28 0.10 0.21 -0.75 0.00 0.00 0.00 175.10 174.94 1wx9 s LYS 13 N 2.08 2.63 0.23 2.72 2.20 0.10 -1.93 119.74 127.77 1wx9 s LYS 13 Ca 0.04 -1.33 -0.04 0.00 -0.36 0.00 0.00 55.97 54.28 1wx9 s LYS 13 Cb -0.13 -3.68 0.06 0.00 -1.51 0.00 0.00 37.83 32.56 1wx9 s LYS 13 CO -0.05 -0.84 0.23 0.25 -0.36 0.00 0.00 175.35 174.58 1wx9 n THR 14 N 4.89 0.00 -1.14 3.43 -2.24 -1.22 -3.71 114.28 114.30 1wx9 n THR 14 Ca -0.11 -0.12 -0.21 0.00 -2.27 0.00 0.00 64.05 61.35 1wx9 n THR 14 Cb 0.44 -1.26 -0.01 0.00 -2.10 0.00 0.00 70.33 67.40 1wx9 n THR 14 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1wx9 n LEU 15 N 0.00 6.42 -1.68 3.22 4.77 -1.26 -3.59 117.00 124.88 1wx9 n LEU 15 Ca 0.03 -3.60 -0.04 0.00 -0.03 0.00 0.00 56.01 52.36 1wx9 n LEU 15 Cb 0.11 -1.14 0.02 0.00 -2.33 0.00 0.00 43.42 40.08 1wx9 n LEU 15 CO 0.08 1.45 0.45 -0.67 -1.33 0.00 0.00 177.39 177.37 1wx9 n ASP 16 N 0.65 -1.09 -3.56 -1.43 -0.08 -1.26 -5.04 116.55 104.73 1wx9 n ASP 16 Ca 0.38 -1.94 -0.31 0.00 -1.51 0.00 0.00 54.79 51.42 1wx9 n ASP 16 Cb 0.58 0.43 0.02 0.00 2.34 0.00 0.00 41.12 44.49 1wx9 n ASP 16 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1wx9 n SER 17 N -0.64 -5.47 -3.30 1.67 2.88 -1.24 -4.96 113.62 102.56 1wx9 n SER 17 Ca -0.21 -0.42 -0.20 0.00 -1.33 0.00 0.00 58.87 56.71 1wx9 n SER 17 Cb 0.74 -1.99 -0.08 0.00 -0.75 0.00 0.00 64.21 62.14 1wx9 n SER 17 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1wx9 s GLN 18 N -3.41 0.77 -0.04 -1.46 -0.21 -1.26 -4.98 119.66 109.07 1wx9 s GLN 18 Ca 0.22 -1.31 -0.27 0.00 0.02 0.00 0.00 55.36 54.01 1wx9 s GLN 18 Cb -0.03 -0.90 -0.03 0.00 1.00 0.00 0.00 33.01 33.05 1wx9 s GLN 18 CO 0.87 -1.27 0.88 0.99 -2.12 0.00 0.00 175.29 174.64 1wx9 s THR 19 N 0.91 4.93 -0.14 -0.19 2.01 -1.24 -3.39 115.64 118.52 1wx9 s THR 19 Ca 0.23 1.82 -0.01 0.00 0.31 0.00 0.00 61.69 64.05 1wx9 s THR 19 Cb -0.09 -4.21 0.03 0.00 0.01 0.00 0.00 72.50 68.24 1wx9 s THR 19 CO -0.07 0.18 -0.06 -0.13 -0.69 0.00 0.00 174.62 173.85 1wx9 s ARG 20 N 1.04 1.43 0.24 4.92 0.52 -0.81 -4.88 118.95 121.40 1wx9 s ARG 20 Ca 0.46 -0.38 -0.30 0.00 -0.52 0.00 0.00 55.73 54.99 1wx9 s ARG 20 Cb -0.19 -1.79 -0.09 0.00 0.52 0.00 0.00 34.95 33.39 1wx9 s ARG 20 CO 0.23 -0.36 1.09 0.99 0.02 0.00 0.00 175.30 177.27 1wx9 s THR 21 N 1.68 3.66 -0.01 0.02 2.01 -1.26 -1.96 115.64 119.79 1wx9 s THR 21 Ca 0.03 1.59 0.02 0.00 0.31 0.00 0.00 61.69 63.63 1wx9 s THR 21 Cb -0.14 -4.01 -0.00 0.00 0.01 0.00 0.00 72.50 68.36 1wx9 s THR 21 CO -0.08 0.34 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.76 1wx9 s PHE 22 N -0.85 0.68 -0.37 4.92 0.08 0.39 -4.92 117.98 117.91 1wx9 s PHE 22 Ca 0.46 -0.13 -0.04 0.00 0.12 0.00 0.00 56.93 57.34 1wx9 s PHE 22 Cb -0.31 -0.45 0.08 0.00 -0.57 0.00 0.00 43.02 41.77 1wx9 s PHE 22 CO 0.38 -0.03 0.14 0.42 -0.10 0.00 0.00 175.22 176.04 1wx9 s ILE 23 N -0.09 3.35 0.25 0.64 -1.09 -1.26 0.13 121.20 123.13 1wx9 s ILE 23 Ca 0.02 -1.71 0.07 0.00 -2.23 0.00 0.00 60.65 56.79 1wx9 s ILE 23 Cb -0.04 -3.13 -0.05 0.00 -1.58 0.00 0.00 42.46 37.66 1wx9 s ILE 23 CO -0.00 -0.46 -0.08 0.68 -1.23 0.00 0.00 174.94 173.85 1wx9 s VAL 24 N 1.23 1.62 -0.01 2.92 -7.23 -0.67 -4.91 120.40 113.35 1wx9 s VAL 24 Ca 0.03 -2.15 -0.30 0.00 -1.81 0.00 0.00 61.98 57.75 1wx9 s VAL 24 Cb -0.22 -2.31 -0.06 0.00 0.56 0.00 0.00 36.38 34.35 1wx9 s VAL 24 CO -0.02 -0.40 1.58 -0.83 -0.31 0.00 0.00 175.10 175.12 1wx9 s GLY 25 N -3.39 1.63 0.49 2.32 0.00 -1.26 -1.78 107.32 105.32 1wx9 s GLY 25 Ca 0.27 0.99 0.34 0.00 0.00 0.00 0.00 44.72 46.32 1wx9 s GLY 25 CO 0.10 2.84 1.71 0.00 0.00 0.00 0.00 173.10 177.75 1wx9 h ALA 26 N 8.70 2.98 -0.56 3.20 0.00 -1.93 1.47 119.26 133.12 1wx9 h ALA 26 Ca -0.39 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 1wx9 h ALA 26 Cb 1.18 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1wx9 h ALA 26 CO 0.93 -1.45 0.07 1.96 0.00 0.00 0.00 179.25 180.76 1wx9 h GLN 27 N 0.10 0.95 -5.44 0.00 1.08 -2.02 -3.35 115.11 106.42 1wx9 h GLN 27 Ca 0.71 -0.27 -0.55 0.00 -1.45 0.00 0.00 58.65 57.09 1wx9 h GLN 27 Cb 2.47 -0.10 0.16 0.00 -0.05 0.00 0.00 27.48 29.95 1wx9 h GLN 27 CO -0.17 0.92 -0.97 -0.12 -0.95 0.00 0.00 178.83 177.54 1wx9 n MET 28 N -4.32 0.00 -2.88 1.46 1.56 0.50 -4.88 117.12 108.57 1wx9 n MET 28 Ca 0.02 0.00 -0.19 0.00 -0.27 0.00 0.00 57.70 57.27 1wx9 n MET 28 Cb 0.28 -0.91 0.02 0.00 2.15 0.00 0.00 33.22 34.77 1wx9 n MET 28 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 1wx9 s ASN 29 N -0.91 5.49 0.10 6.12 4.22 -1.26 -3.75 114.94 124.95 1wx9 s ASN 29 Ca 0.53 -0.30 -0.24 0.00 -2.14 0.00 0.00 52.86 50.71 1wx9 s ASN 29 Cb -0.50 -0.69 -0.12 0.00 1.28 0.00 0.00 41.25 41.22 1wx9 s ASN 29 CO 0.59 -0.92 1.71 0.58 -2.04 0.00 0.00 177.10 177.01 1wx9 h VAL 30 N 0.42 0.80 -0.03 3.54 2.07 -0.05 -1.19 116.25 121.81 1wx9 h VAL 30 Ca -0.40 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.12 1wx9 h VAL 30 Cb 1.29 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1wx9 h VAL 30 CO 0.47 0.00 -0.13 0.50 0.02 0.00 0.00 177.57 178.43 1wx9 h LYS 31 N -0.17 -0.14 -0.86 1.57 3.64 -1.73 -0.74 116.57 118.14 1wx9 h LYS 31 Ca 0.02 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.48 1wx9 h LYS 31 Cb 0.18 0.03 -0.11 0.00 -0.41 0.00 0.00 32.23 31.93 1wx9 h LYS 31 CO -0.05 -0.09 -0.54 0.93 -2.27 0.00 0.00 179.45 177.43 1wx9 h GLU 32 N -0.14 -0.04 -0.96 1.90 5.08 -1.85 0.59 114.58 119.16 1wx9 h GLU 32 Ca 0.01 0.00 0.28 0.00 -1.00 0.00 0.00 59.36 58.65 1wx9 h GLU 32 Cb 0.16 0.01 -0.17 0.00 0.50 0.00 0.00 28.75 29.25 1wx9 h GLU 32 CO -0.11 -0.03 0.15 0.35 -1.00 0.00 0.00 179.01 178.38 1wx9 h PHE 33 N -0.04 0.17 -0.71 4.33 3.57 -0.76 1.52 116.94 125.02 1wx9 h PHE 33 Ca 0.14 0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.73 1wx9 h PHE 33 Cb 0.40 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.18 1wx9 h PHE 33 CO -0.99 -0.39 0.45 0.87 -2.23 0.00 0.00 178.31 176.02 1wx9 h LYS 34 N 0.05 0.86 -0.14 1.11 1.57 0.17 0.17 116.57 120.36 1wx9 h LYS 34 Ca 0.62 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 59.28 1wx9 h LYS 34 Cb 1.35 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 1wx9 h LYS 34 CO -0.84 0.57 -0.23 0.93 -0.57 0.00 0.00 179.45 179.31 1wx9 h GLU 35 N 0.88 0.24 0.52 3.15 5.08 0.30 1.48 114.58 126.22 1wx9 h GLU 35 Ca 0.28 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 1wx9 h GLU 35 Cb 0.00 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.24 1wx9 h GLU 35 CO -0.10 0.46 -0.25 1.25 -1.00 0.00 0.00 179.01 179.37 1wx9 h HIS 36 N 0.22 -0.65 0.00 4.33 2.76 0.86 -3.18 115.15 119.49 1wx9 h HIS 36 Ca 0.04 -0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.13 1wx9 h HIS 36 Cb 0.53 0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.70 1wx9 h HIS 36 CO 0.01 -0.37 -0.30 -0.84 -1.30 0.00 0.00 177.93 175.13 1wx9 h ILE 37 N -1.15 0.95 -1.66 6.26 3.07 -0.69 -2.71 117.51 121.59 1wx9 h ILE 37 Ca -0.07 -1.12 0.49 0.00 1.55 0.00 0.00 64.86 65.70 1wx9 h ILE 37 Cb 0.57 1.65 -0.08 0.00 -0.27 0.00 0.00 36.82 38.70 1wx9 h ILE 37 CO 0.12 0.29 1.18 0.00 -1.05 0.00 0.00 178.15 178.69 1wx9 h ALA 38 N 1.70 3.51 0.40 0.16 0.00 0.21 0.80 119.26 126.04 1wx9 h ALA 38 Ca -0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1wx9 h ALA 38 Cb 0.63 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1wx9 h ALA 38 CO 0.04 -2.01 -0.19 0.00 0.00 0.00 0.00 179.25 177.09 1wx9 h ALA 39 N 1.20 -0.54 0.78 0.00 0.00 -1.57 0.42 119.26 119.55 1wx9 h ALA 39 Ca 0.81 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.50 1wx9 h ALA 39 Cb 3.16 0.21 0.01 0.00 0.00 0.00 0.00 17.79 21.17 1wx9 h ALA 39 CO -0.06 -0.58 -0.37 0.77 0.00 0.00 0.00 179.25 179.01 1wx9 h SER 40 N -1.00 -0.88 -0.64 0.00 0.02 0.17 -2.55 113.55 108.67 1wx9 h SER 40 Ca -0.06 0.03 0.15 0.00 -0.84 0.00 0.00 61.79 61.07 1wx9 h SER 40 Cb 0.54 0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.27 1wx9 h SER 40 CO 0.09 -0.62 0.44 -0.37 -1.14 0.00 0.00 176.83 175.24 1wx9 h VAL 41 N -1.07 0.77 -0.09 2.27 -1.51 -0.25 -3.45 116.25 112.92 1wx9 h VAL 41 Ca -0.11 -0.07 -0.04 0.00 -1.23 0.00 0.00 66.70 65.25 1wx9 h VAL 41 Cb 0.80 0.54 -0.01 0.00 -2.13 0.00 0.00 31.29 30.48 1wx9 h VAL 41 CO 0.17 0.04 -0.03 -0.24 -1.23 0.00 0.00 177.57 176.28 1wx9 n SER 42 N -4.43 -3.54 -4.51 4.19 2.88 0.14 -5.01 113.62 103.34 1wx9 n SER 42 Ca 0.12 0.04 -0.33 0.00 -1.33 0.00 0.00 58.87 57.37 1wx9 n SER 42 Cb 0.56 -1.20 -0.12 0.00 -0.75 0.00 0.00 64.21 62.70 1wx9 n SER 42 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1wx9 s ILE 43 N -1.96 3.28 0.39 2.46 1.01 -0.81 -4.97 121.20 120.59 1wx9 s ILE 43 Ca 0.00 -0.66 -0.25 0.00 0.00 0.00 0.00 60.65 59.75 1wx9 s ILE 43 Cb 0.00 -2.31 -0.09 0.00 0.01 0.00 0.00 42.46 40.07 1wx9 s ILE 43 CO 0.00 0.58 1.06 -2.16 0.00 0.00 0.00 174.94 174.42 1wx9 s PRO 44 N -0.79 4.20 0.15 2.79 0.04 -1.26 -4.21 135.00 135.93 1wx9 s PRO 44 Ca 0.12 1.55 -0.25 0.00 0.04 0.00 0.00 61.00 62.46 1wx9 s PRO 44 Cb -0.11 -2.61 0.01 0.00 0.04 0.00 0.00 34.50 31.84 1wx9 s PRO 44 CO 0.01 -0.11 1.60 0.66 0.04 0.00 0.00 177.00 179.20 1wx9 h SER 45 N 2.62 -1.10 -0.47 6.66 4.64 -1.91 1.03 113.55 125.03 1wx9 h SER 45 Ca -0.48 0.17 0.14 0.00 -0.47 0.00 0.00 61.79 61.15 1wx9 h SER 45 Cb 1.22 0.49 -0.02 0.00 -0.31 0.00 0.00 62.40 63.77 1wx9 h SER 45 CO 0.63 -0.35 0.66 1.05 -0.87 0.00 0.00 176.83 177.95 1wx9 h GLU 46 N -0.33 0.00 0.00 4.77 4.11 -1.98 1.42 114.58 122.57 1wx9 h GLU 46 Ca 0.13 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.30 1wx9 h GLU 46 Cb 0.55 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.75 1wx9 h GLU 46 CO -0.46 0.00 -1.95 1.63 0.07 0.00 0.00 179.01 178.30 1wx9 n LYS 47 N -3.37 0.66 -1.59 1.06 5.02 0.23 -4.93 118.16 115.23 1wx9 n LYS 47 Ca 0.09 0.10 -0.29 0.00 -2.02 0.00 0.00 58.31 56.19 1wx9 n LYS 47 Cb 0.84 -1.65 0.13 0.00 -0.02 0.00 0.00 35.03 34.32 1wx9 n LYS 47 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1wx9 s GLN 48 N -2.73 1.25 -0.36 1.97 -0.21 0.49 -1.64 119.66 118.42 1wx9 s GLN 48 Ca -0.07 0.25 -0.06 0.00 0.02 0.00 0.00 55.36 55.51 1wx9 s GLN 48 Cb 0.08 -1.86 0.21 0.00 1.00 0.00 0.00 33.01 32.44 1wx9 s GLN 48 CO 0.83 -2.12 1.05 0.50 -2.12 0.00 0.00 175.29 173.44 1wx9 s ARG 49 N -5.33 0.29 0.12 2.91 3.52 -1.14 -4.90 118.95 114.42 1wx9 s ARG 49 Ca 0.64 -0.27 -0.34 0.00 -0.13 0.00 0.00 55.73 55.63 1wx9 s ARG 49 Cb -0.14 -0.01 -0.13 0.00 -1.56 0.00 0.00 34.95 33.11 1wx9 s ARG 49 CO 0.53 -0.37 1.66 1.28 -0.81 0.00 0.00 175.30 177.58 1wx9 n LEU 50 N 2.79 3.28 -4.16 -0.88 4.77 -1.26 -3.36 117.00 118.18 1wx9 n LEU 50 Ca 0.11 1.06 -0.27 0.00 -0.03 0.00 0.00 56.01 56.88 1wx9 n LEU 50 Cb 0.64 -1.44 -0.16 0.00 -2.33 0.00 0.00 43.42 40.13 1wx9 n LEU 50 CO -0.10 -0.19 -0.51 -0.63 -1.33 0.00 0.00 177.39 174.63 1wx9 s ILE 51 N 1.59 1.55 -0.08 -0.08 1.01 0.95 -0.94 121.20 125.21 1wx9 s ILE 51 Ca 0.81 -0.79 -0.03 0.00 0.00 0.00 0.00 60.65 60.64 1wx9 s ILE 51 Cb -0.66 -1.32 0.04 0.00 0.01 0.00 0.00 42.46 40.53 1wx9 s ILE 51 CO 0.40 0.44 0.17 -0.47 0.00 0.00 0.00 174.94 175.48 1wx9 s TYR 52 N -0.05 -0.20 -1.52 3.97 6.14 0.32 -0.61 117.35 125.39 1wx9 s TYR 52 Ca -0.03 0.57 0.00 0.00 0.64 0.00 0.00 57.07 58.25 1wx9 s TYR 52 Cb -0.11 -0.09 0.00 0.00 0.42 0.00 0.00 41.96 42.18 1wx9 s TYR 52 CO 0.02 -0.20 0.00 1.04 0.64 0.00 0.00 175.55 177.05 1wx9 n GLN 53 N 4.43 -1.14 -1.36 4.97 1.13 -1.26 -1.36 117.38 122.79 1wx9 n GLN 53 Ca -0.22 0.93 -0.02 0.00 -1.94 0.00 0.00 57.00 55.75 1wx9 n GLN 53 Cb 0.51 -5.17 -0.01 0.00 0.11 0.00 0.00 30.24 25.69 1wx9 n GLN 53 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1wx9 n GLY 54 N -1.05 0.48 3.33 1.08 0.00 -1.26 -5.04 105.19 102.73 1wx9 n GLY 54 Ca -0.17 -0.92 -0.26 0.00 0.00 0.00 0.00 46.02 44.68 1wx9 n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wx9 s ARG 55 N -2.78 1.24 -0.43 1.61 1.81 -0.46 -5.10 118.95 114.83 1wx9 s ARG 55 Ca 0.00 -1.25 -0.21 0.00 -1.72 0.00 0.00 55.73 52.55 1wx9 s ARG 55 Cb 0.00 -1.57 0.02 0.00 -0.45 0.00 0.00 34.95 32.96 1wx9 s ARG 55 CO 0.00 0.36 0.67 0.54 -0.68 0.00 0.00 175.30 176.20 1wx9 s VAL 56 N -1.21 4.80 0.16 3.52 0.11 -1.26 -0.52 120.40 125.99 1wx9 s VAL 56 Ca 0.10 0.25 -0.32 0.00 -2.93 0.00 0.00 61.98 59.08 1wx9 s VAL 56 Cb -0.10 -4.21 -0.11 0.00 -1.53 0.00 0.00 36.38 30.43 1wx9 s VAL 56 CO 0.05 -0.58 1.79 0.18 -3.33 0.00 0.00 175.10 173.21 1wx9 n LEU 57 N 6.33 4.01 -4.77 2.54 4.77 -0.11 -4.93 117.00 124.85 1wx9 n LEU 57 Ca -0.01 1.02 -0.37 0.00 -0.03 0.00 0.00 56.01 56.62 1wx9 n LEU 57 Cb 0.48 -1.56 -0.00 0.00 -2.33 0.00 0.00 43.42 40.01 1wx9 n LEU 57 CO 0.54 0.17 0.84 -1.10 -1.33 0.00 0.00 177.39 176.52 1wx9 s GLN 58 N 2.08 3.68 -0.01 3.23 1.11 -1.26 -4.74 119.66 123.75 1wx9 s GLN 58 Ca 0.79 1.82 -0.25 0.00 0.01 0.00 0.00 55.36 57.74 1wx9 s GLN 58 Cb -0.49 -2.38 -0.18 0.00 -1.01 0.00 0.00 33.01 28.95 1wx9 s GLN 58 CO 0.35 -0.63 1.22 0.38 0.01 0.00 0.00 175.29 176.62 1wx9 h ASP 59 N 1.97 -0.19 -0.25 5.90 2.03 -1.94 -2.84 116.42 121.10 1wx9 h ASP 59 Ca -0.50 -0.29 0.07 0.00 -0.73 0.00 0.00 57.03 55.58 1wx9 h ASP 59 Cb 1.25 0.05 -0.01 0.00 -0.83 0.00 0.00 39.33 39.79 1wx9 h ASP 59 CO 0.60 0.22 0.19 0.44 -1.03 0.00 0.00 179.24 179.66 1wx9 h ASP 60 N -0.64 0.00 -3.97 4.15 3.32 -1.98 -2.88 116.42 114.42 1wx9 h ASP 60 Ca -0.02 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.55 1wx9 h ASP 60 Cb 0.47 0.00 0.16 0.00 0.22 0.00 0.00 39.33 40.18 1wx9 h ASP 60 CO 0.04 0.00 0.21 -0.54 -1.72 0.00 0.00 179.24 177.23 1wx9 s LYS 61 N -4.97 0.88 0.25 3.56 -0.14 -1.07 -4.74 119.74 113.51 1wx9 s LYS 61 Ca -0.05 0.91 0.11 0.00 -1.36 0.00 0.00 55.97 55.58 1wx9 s LYS 61 Cb 0.18 -1.76 -0.05 0.00 -1.68 0.00 0.00 37.83 34.52 1wx9 s LYS 61 CO 0.67 -2.52 -0.18 0.15 -0.76 0.00 0.00 175.35 172.71 1wx9 s LYS 62 N -4.83 1.74 0.08 1.68 1.02 -1.26 0.29 119.74 118.45 1wx9 s LYS 62 Ca 0.65 -1.63 -0.35 0.00 0.02 0.00 0.00 55.97 54.65 1wx9 s LYS 62 Cb -0.20 -1.86 -0.18 0.00 -0.52 0.00 0.00 37.83 35.07 1wx9 s LYS 62 CO 0.58 0.36 1.59 -0.07 -0.92 0.00 0.00 175.35 176.89 1wx9 h LEU 63 N 2.50 -1.12 -0.74 3.17 -0.00 -1.81 -2.74 115.31 114.57 1wx9 h LEU 63 Ca -0.43 0.07 0.13 0.00 -0.00 0.00 0.00 57.88 57.65 1wx9 h LEU 63 Cb 1.24 0.34 -0.14 0.00 -0.00 0.00 0.00 40.66 42.10 1wx9 h LEU 63 CO 0.57 -0.67 -0.31 -0.61 -0.00 0.00 0.00 178.44 177.42 1wx9 h GLN 64 N -1.05 -0.08 -0.99 1.13 4.15 -1.85 0.37 115.11 116.79 1wx9 h GLN 64 Ca -0.08 0.01 0.22 0.00 0.77 0.00 0.00 58.65 59.56 1wx9 h GLN 64 Cb 0.86 0.02 -0.19 0.00 0.21 0.00 0.00 27.48 28.38 1wx9 h GLN 64 CO 0.07 -0.05 -0.18 0.93 -1.93 0.00 0.00 178.83 177.67 1wx9 h GLU 65 N -0.08 0.00 -0.01 1.69 5.08 -1.80 1.38 114.58 120.84 1wx9 h GLU 65 Ca 0.30 -0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.49 1wx9 h GLU 65 Cb 0.57 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1wx9 h GLU 65 CO -0.79 0.00 -0.76 1.88 -1.00 0.00 0.00 179.01 178.34 1wx9 h TYR 66 N 0.00 0.17 -1.61 4.33 0.05 -0.28 -3.48 116.97 116.15 1wx9 h TYR 66 Ca 0.51 -0.08 0.00 0.00 0.05 0.00 0.00 58.73 59.21 1wx9 h TYR 66 Cb 0.86 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.58 1wx9 h TYR 66 CO -0.70 0.83 0.00 -1.71 -1.05 0.00 0.00 178.16 175.54 1wx9 n ASN 67 N -3.70 -1.85 -1.23 3.88 5.15 0.47 -4.95 115.26 113.04 1wx9 n ASN 67 Ca -0.02 0.00 0.04 0.00 -0.60 0.00 0.00 54.58 54.00 1wx9 n ASN 67 Cb 0.73 -0.46 0.22 0.00 -0.53 0.00 0.00 39.78 39.74 1wx9 n ASN 67 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 1wx9 n VAL 68 N -1.29 1.44 -1.71 3.44 0.24 -1.21 -4.84 118.33 114.41 1wx9 n VAL 68 Ca 0.00 -0.76 -0.42 0.00 -2.04 0.00 0.00 64.34 61.12 1wx9 n VAL 68 Cb 0.46 -0.31 -0.03 0.00 -1.47 0.00 0.00 33.84 32.50 1wx9 n VAL 68 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1wx9 s GLY 69 N -0.49 1.46 -0.22 7.63 0.00 -1.25 -0.87 107.32 113.58 1wx9 s GLY 69 Ca 0.30 1.29 0.00 0.00 0.00 0.00 0.00 44.72 46.31 1wx9 s GLY 69 CO 0.10 3.43 0.00 0.61 0.00 0.00 0.00 173.10 177.24 1wx9 n GLY 70 N 4.50 0.28 3.96 0.20 0.00 0.49 -4.93 105.19 109.69 1wx9 n GLY 70 Ca 0.20 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 1wx9 n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wx9 s LYS 71 N -1.85 2.93 -0.35 1.61 -0.14 -0.05 -4.84 119.74 117.05 1wx9 s LYS 71 Ca 0.00 -0.63 -0.09 0.00 -1.36 0.00 0.00 55.97 53.89 1wx9 s LYS 71 Cb 0.00 -2.57 0.03 0.00 -1.68 0.00 0.00 37.83 33.61 1wx9 s LYS 71 CO 0.00 -0.35 0.16 0.08 -0.76 0.00 0.00 175.35 174.48 1wx9 s VAL 72 N -2.56 4.24 0.49 3.17 1.01 -1.26 -1.30 120.40 124.19 1wx9 s VAL 72 Ca 0.50 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 1wx9 s VAL 72 Cb -0.10 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 1wx9 s VAL 72 CO 0.37 -0.19 0.76 -0.63 0.00 0.00 0.00 175.10 175.41 1wx9 s ILE 73 N 1.49 4.20 -0.39 2.22 1.01 -0.65 -4.88 121.20 124.21 1wx9 s ILE 73 Ca 0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 60.65 60.48 1wx9 s ILE 73 Cb -0.19 -3.60 0.11 0.00 0.01 0.00 0.00 42.46 38.79 1wx9 s ILE 73 CO 0.05 -0.52 0.16 -1.00 0.00 0.00 0.00 174.94 173.63 1wx9 s HIS 74 N -2.72 3.65 0.06 3.97 3.76 0.22 -0.72 115.29 123.50 1wx9 s HIS 74 Ca 0.49 -2.62 -0.19 0.00 -0.15 0.00 0.00 55.06 52.59 1wx9 s HIS 74 Cb -0.10 -3.13 -0.06 0.00 1.11 0.00 0.00 32.58 30.40 1wx9 s HIS 74 CO 0.42 -0.96 0.55 -1.17 -0.85 0.00 0.00 174.74 172.73 1wx9 s LEU 75 N 1.05 4.51 0.02 0.89 2.96 -1.24 -0.03 118.68 126.83 1wx9 s LEU 75 Ca 0.09 1.22 0.07 0.00 -0.22 0.00 0.00 54.13 55.29 1wx9 s LEU 75 Cb -0.22 -2.86 -0.02 0.00 0.50 0.00 0.00 46.19 43.59 1wx9 s LEU 75 CO -0.05 0.26 -0.21 0.68 -1.32 0.00 0.00 176.35 175.70 1wx9 s VAL 76 N -0.99 1.68 -0.22 1.68 -7.23 -1.21 -4.50 120.40 109.61 1wx9 s VAL 76 Ca 0.29 -1.10 -0.07 0.00 -1.81 0.00 0.00 61.98 59.29 1wx9 s VAL 76 Cb -0.19 -1.44 -0.03 0.00 0.56 0.00 0.00 36.38 35.28 1wx9 s VAL 76 CO 0.18 0.30 0.05 -0.70 -0.31 0.00 0.00 175.10 174.62 1wx9 s GLU 77 N -0.95 3.73 0.98 4.82 -6.30 -1.26 -2.89 118.70 116.84 1wx9 s GLU 77 Ca 0.08 -0.45 -0.13 0.00 -2.50 0.00 0.00 54.97 51.96 1wx9 s GLU 77 Cb -0.09 -3.22 0.08 0.00 0.00 0.00 0.00 34.13 30.90 1wx9 s GLU 77 CO 0.01 -0.00 0.52 -2.13 0.02 0.00 0.00 175.26 173.68 1wx9 n ARG 78 N 4.35 -0.65 -1.44 4.30 0.63 -0.65 -4.74 116.66 118.44 1wx9 n ARG 78 Ca -0.16 -0.15 0.18 0.00 -0.92 0.00 0.00 57.85 56.79 1wx9 n ARG 78 Cb 0.52 -1.95 -0.09 0.00 0.45 0.00 0.00 32.46 31.39 1wx9 n ARG 78 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1wx9 n ALA 79 N -3.93 -3.79 -2.38 5.13 0.00 -1.26 -4.64 120.51 109.63 1wx9 n ALA 79 Ca 0.07 0.89 -0.43 0.00 0.00 0.00 0.00 53.44 53.96 1wx9 n ALA 79 Cb 0.55 -1.55 -0.02 0.00 0.00 0.00 0.00 19.45 18.42 1wx9 n ALA 79 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1wx9 s PRO 80 N -4.05 3.91 0.51 0.00 0.04 -1.26 -4.99 135.00 129.16 1wx9 s PRO 80 Ca 0.00 1.32 -0.22 0.00 0.04 0.00 0.00 61.00 62.14 1wx9 s PRO 80 Cb 0.00 -3.90 -0.06 0.00 0.04 0.00 0.00 34.50 30.59 1wx9 s PRO 80 CO 0.00 -1.13 1.25 0.45 0.04 0.00 0.00 177.00 177.61 1wx9 s SER 81 N 2.95 5.67 0.37 6.66 0.15 -1.26 -4.99 113.70 123.25 1wx9 s SER 81 Ca 0.58 2.51 -0.23 0.00 0.70 0.00 0.00 55.95 59.51 1wx9 s SER 81 Cb -0.18 -2.62 -0.10 0.00 -1.71 0.00 0.00 66.02 61.41 1wx9 s SER 81 CO 0.24 -1.27 0.92 -0.83 1.20 0.00 0.00 173.24 173.50 1wx9 s GLY 82 N -1.22 2.57 -0.07 9.45 0.00 -1.26 -5.01 107.32 111.79 1wx9 s GLY 82 Ca 0.69 0.42 -0.16 0.00 0.00 0.00 0.00 44.72 45.67 1wx9 s GLY 82 CO 0.40 0.77 0.62 -0.56 0.00 0.00 0.00 173.10 174.33 1wx9 h PRO 83 N 2.55 -0.21 0.72 2.90 0.13 -2.06 -3.37 132.00 132.65 1wx9 h PRO 83 Ca -0.48 0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.63 1wx9 h PRO 83 Cb 1.19 0.05 0.01 0.00 0.13 0.00 0.00 31.00 32.37 1wx9 h PRO 83 CO 0.63 0.13 -0.34 0.77 -0.23 0.00 0.00 178.00 178.95 1wx9 h SER 84 N -0.97 -0.82 -4.84 1.44 0.02 -2.05 -3.49 113.55 102.85 1wx9 h SER 84 Ca -0.02 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1wx9 h SER 84 Cb 0.44 0.21 -0.07 0.00 0.14 0.00 0.00 62.40 63.12 1wx9 h SER 84 CO 0.04 -0.51 -1.19 -0.24 -1.14 0.00 0.00 176.83 173.79 1wx9 n SER 85 N -4.99 -3.71 0.00 3.07 2.88 -1.26 -5.30 113.62 104.31 1wx9 n SER 85 Ca -0.12 1.25 0.00 0.00 -1.33 0.00 0.00 58.87 58.67 1wx9 n SER 85 Cb 0.38 -4.86 0.00 0.00 -0.75 0.00 0.00 64.21 58.98 1wx9 n SER 85 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42