#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cww s PRO -4 N 0.00 2.98 -0.25 1.61 0.04 -1.26 -4.97 135.00 133.14 1cww s PRO -4 Ca 0.00 -0.21 -0.21 0.00 0.04 0.00 0.00 61.00 60.62 1cww s PRO -4 Cb 0.00 -4.70 -0.02 0.00 0.04 0.00 0.00 34.50 29.83 1cww s PRO -4 CO 0.00 -2.60 0.68 -1.17 0.04 0.00 0.00 177.00 173.94 1cww s LEU -3 N 7.49 4.07 -0.23 -3.56 1.98 -1.26 -5.01 118.68 122.16 1cww s LEU -3 Ca 0.54 0.77 -0.28 0.00 -2.89 0.00 0.00 54.13 52.27 1cww s LEU -3 Cb -0.07 -2.93 0.15 0.00 0.66 0.00 0.00 46.19 43.99 1cww s LEU -3 CO 0.08 -0.41 1.12 -0.83 -1.89 0.00 0.00 176.35 174.42 1cww s GLY -2 N 1.45 -0.10 0.00 7.98 0.00 -1.26 -5.18 107.32 110.22 1cww s GLY -2 Ca 0.28 2.51 0.00 0.00 0.00 0.00 0.00 44.72 47.51 1cww s GLY -2 CO 0.08 1.34 0.00 1.44 0.00 0.00 0.00 173.10 175.97 1cww n SER -1 N 1.15 -0.13 -3.00 1.64 7.64 -1.26 -4.87 113.62 114.78 1cww n SER -1 Ca -0.09 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1cww n SER -1 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 1cww n SER -1 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 1cww n MET 1 N -0.20 0.15 -2.41 1.43 0.00 -1.03 -4.49 117.12 110.58 1cww n MET 1 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.28 1cww n MET 1 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.19 1cww n MET 1 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1cww s ASP 2 N -1.45 7.08 0.15 3.17 2.15 -1.26 -4.86 116.67 121.66 1cww s ASP 2 Ca 0.00 2.09 -0.16 0.00 0.43 0.00 0.00 52.55 54.91 1cww s ASP 2 Cb 0.00 -2.59 0.02 0.00 -0.30 0.00 0.00 42.92 40.05 1cww s ASP 2 CO 0.00 -0.43 1.80 0.00 -0.17 0.00 0.00 175.17 176.36 1cww h ALA 3 N 6.29 0.55 -0.53 3.66 0.00 -1.97 0.53 119.26 127.80 1cww h ALA 3 Ca -0.43 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 1cww h ALA 3 Cb 1.21 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1cww h ALA 3 CO 0.79 0.02 -0.01 -0.22 0.00 0.00 0.00 179.25 179.84 1cww h LYS 4 N 0.57 0.91 0.26 0.00 1.63 -1.96 -0.03 116.57 117.95 1cww h LYS 4 Ca 0.16 -0.27 -0.01 0.00 -0.85 0.00 0.00 60.65 59.67 1cww h LYS 4 Cb -0.03 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.51 1cww h LYS 4 CO -0.03 0.91 -0.12 0.00 -3.45 0.00 0.00 179.45 176.75 1cww h ALA 5 N 1.14 -0.35 0.00 5.00 0.00 -1.73 -1.21 119.26 122.11 1cww h ALA 5 Ca 0.16 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1cww h ALA 5 Cb 0.51 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1cww h ALA 5 CO 0.03 -0.48 -0.14 -0.09 0.00 0.00 0.00 179.25 178.56 1cww h ARG 6 N -0.77 0.00 0.00 0.00 2.43 0.09 -2.09 114.38 114.04 1cww h ARG 6 Ca -0.04 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1cww h ARG 6 Cb 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1cww h ARG 6 CO 0.06 0.14 -0.00 -0.91 -1.51 0.00 0.00 179.97 177.74 1cww h ASN 7 N 0.00 -0.00 -0.09 -3.80 2.35 -0.99 -2.59 115.58 110.46 1cww h ASN 7 Ca -0.00 -0.89 0.03 0.00 -0.55 0.00 0.00 56.30 54.89 1cww h ASN 7 Cb 0.28 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 1cww h ASN 7 CO 0.02 0.90 0.19 0.00 -1.65 0.00 0.00 177.43 176.88 1cww h LEU 9 N 0.00 -0.34 -0.19 0.00 5.85 -1.36 -3.23 115.31 116.03 1cww h LEU 9 Ca 0.04 -0.10 -0.14 0.00 0.84 0.00 0.00 57.88 58.52 1cww h LEU 9 Cb 0.42 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1cww h LEU 9 CO -0.00 0.14 -0.67 -0.07 -0.34 0.00 0.00 178.44 177.50 1cww h LEU 10 N -1.05 0.00 -1.13 2.25 3.38 -0.91 -3.29 115.31 114.56 1cww h LEU 10 Ca -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1cww h LEU 10 Cb 0.42 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 1cww h LEU 10 CO 0.07 0.67 0.50 -0.61 0.09 0.00 0.00 178.44 179.16 1cww h GLN 11 N 0.00 1.09 -1.89 1.13 4.15 0.13 -1.73 115.11 117.99 1cww h GLN 11 Ca -0.01 -0.09 -0.15 0.00 0.77 0.00 0.00 58.65 59.18 1cww h GLN 11 Cb 1.43 -0.24 -0.06 0.00 0.21 0.00 0.00 27.48 28.83 1cww h GLN 11 CO 0.09 0.75 0.05 0.72 -1.93 0.00 0.00 178.83 178.51 1cww n HIS 12 N -4.38 0.47 -0.34 3.99 8.25 -1.22 -4.51 115.22 117.47 1cww n HIS 12 Ca 0.09 -1.39 0.18 0.00 -0.26 0.00 0.00 57.72 56.35 1cww n HIS 12 Cb 0.05 -0.88 0.41 0.00 1.12 0.00 0.00 29.99 30.69 1cww n HIS 12 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1cww h ARG 13 N 1.64 0.54 0.00 -0.41 1.12 -1.53 0.76 114.38 116.50 1cww h ARG 13 Ca 0.13 -0.03 -0.00 0.00 -1.11 0.00 0.00 59.98 58.97 1cww h ARG 13 Cb 1.06 -0.12 -0.00 0.00 -0.01 0.00 0.00 29.97 30.90 1cww h ARG 13 CO 0.28 0.36 -0.00 0.93 -3.11 0.00 0.00 179.97 178.43 1cww h GLU 14 N 0.55 0.00 0.00 0.20 3.07 -1.87 -0.99 114.58 115.54 1cww h GLU 14 Ca 0.64 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.50 1cww h GLU 14 Cb 1.27 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.18 1cww h GLU 14 CO -0.44 0.00 -1.34 0.00 -1.40 0.00 0.00 179.01 175.82 1cww n ALA 15 N -2.15 2.47 -1.00 3.43 0.00 0.16 -4.51 120.51 118.91 1cww n ALA 15 Ca -0.03 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1cww n ALA 15 Cb 0.07 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.18 1cww n ALA 15 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1cww n LEU 16 N -1.78 0.00 0.00 0.00 7.94 0.21 -0.20 117.00 123.18 1cww n LEU 16 Ca -0.01 0.25 0.03 0.00 -1.11 0.00 0.00 56.01 55.16 1cww n LEU 16 Cb 0.25 0.00 0.15 0.00 0.53 0.00 0.00 43.42 44.35 1cww n LEU 16 CO 0.21 0.00 0.55 1.21 -1.11 0.00 0.00 177.39 178.25 1cww n GLU 17 N -0.35 0.06 -0.01 1.96 2.13 -1.22 0.52 120.64 123.74 1cww n GLU 17 Ca 0.00 0.29 -0.21 0.00 0.66 0.00 0.00 57.16 57.90 1cww n GLU 17 Cb 0.00 -1.50 -0.14 0.00 0.27 0.00 0.00 31.44 30.07 1cww n GLU 17 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1cww h LYS 18 N 0.00 0.20 0.00 5.31 3.64 -1.75 -3.41 116.57 120.55 1cww h LYS 18 Ca 0.00 -0.34 -0.06 0.00 -1.27 0.00 0.00 60.65 58.98 1cww h LYS 18 Cb 0.08 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1cww h LYS 18 CO 0.00 1.16 -1.57 -0.25 -2.27 0.00 0.00 179.45 176.53 1cww n ASP 19 N -4.07 2.49 -4.56 4.20 9.92 0.73 -4.85 116.55 120.41 1cww n ASP 19 Ca -0.23 0.00 -0.30 0.00 -0.53 0.00 0.00 54.79 53.73 1cww n ASP 19 Cb 0.83 1.25 -0.05 0.00 -0.64 0.00 0.00 41.12 42.51 1cww n ASP 19 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1cww s ILE 20 N -2.59 3.54 0.18 0.53 1.01 0.18 -4.94 121.20 119.12 1cww s ILE 20 Ca -0.04 -0.42 -0.03 0.00 0.00 0.00 0.00 60.65 60.16 1cww s ILE 20 Cb 0.06 -4.22 -0.05 0.00 0.01 0.00 0.00 42.46 38.26 1cww s ILE 20 CO 0.44 -1.15 0.40 -0.75 0.00 0.00 0.00 174.94 173.88 1cww s LYS 21 N 6.59 3.57 0.00 2.79 2.20 -1.26 -4.72 119.74 128.91 1cww s LYS 21 Ca 0.65 -0.20 0.00 0.00 -0.36 0.00 0.00 55.97 56.06 1cww s LYS 21 Cb -0.06 -2.83 0.00 0.00 -1.51 0.00 0.00 37.83 33.44 1cww s LYS 21 CO -0.02 0.42 0.00 -2.37 -0.36 0.00 0.00 175.35 173.02 1cww n THR 22 N -0.33 0.00 0.00 3.43 5.66 -1.26 -4.45 114.28 117.33 1cww n THR 22 Ca -0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 1cww n THR 22 Cb 0.53 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 1cww n THR 22 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1cww n SER 23 N 0.00 0.00 -0.04 1.09 7.64 -1.26 0.05 113.62 121.10 1cww n SER 23 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 1cww n SER 23 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 1cww n SER 23 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 1cww h TYR 24 N 0.00 0.45 -0.94 1.43 -1.99 -1.99 -1.15 116.97 112.79 1cww h TYR 24 Ca 0.00 -0.17 0.05 0.00 2.00 0.00 0.00 58.73 60.62 1cww h TYR 24 Cb 0.00 -0.08 -0.06 0.00 2.00 0.00 0.00 36.73 38.59 1cww h TYR 24 CO 0.00 0.85 0.60 0.82 -0.00 0.00 0.00 178.16 180.43 1cww h ILE 25 N -0.07 1.10 0.00 -2.88 2.04 -0.60 0.73 117.51 117.83 1cww h ILE 25 Ca 0.00 -0.38 -0.09 0.00 1.00 0.00 0.00 64.86 65.39 1cww h ILE 25 Cb 0.82 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1cww h ILE 25 CO 0.05 0.20 -0.43 -0.03 0.00 0.00 0.00 178.15 177.94 1cww h MET 26 N 1.12 0.00 -0.25 2.37 4.05 -1.41 -2.56 114.93 118.24 1cww h MET 26 Ca 0.39 0.00 -0.15 0.00 -0.28 0.00 0.00 59.70 59.67 1cww h MET 26 Cb 0.11 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.90 1cww h MET 26 CO -0.16 0.43 -0.45 0.22 0.23 0.00 0.00 176.91 177.19 1cww h ASP 27 N 0.00 0.69 0.26 1.39 3.58 0.42 -2.15 116.42 120.61 1cww h ASP 27 Ca -0.00 -0.33 -0.13 0.00 0.42 0.00 0.00 57.03 56.99 1cww h ASP 27 Cb 0.89 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.74 1cww h ASP 27 CO 0.06 1.04 -0.51 0.45 -2.88 0.00 0.00 179.24 177.40 1cww h HIS 28 N 0.52 0.35 -0.24 0.28 3.86 -1.08 -0.98 115.15 117.86 1cww h HIS 28 Ca 0.03 -0.11 -0.15 0.00 -1.16 0.00 0.00 60.37 58.98 1cww h HIS 28 Cb 0.98 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 29.38 1cww h HIS 28 CO 0.05 0.74 -0.47 0.52 0.86 0.00 0.00 177.93 179.62 1cww h MET 29 N 0.22 0.63 0.13 2.45 2.86 -1.19 -1.29 114.93 118.75 1cww h MET 29 Ca 0.01 -0.36 -0.26 0.00 -2.06 0.00 0.00 59.70 57.03 1cww h MET 29 Cb 0.97 0.03 0.03 0.00 0.06 0.00 0.00 31.60 32.69 1cww h MET 29 CO 0.08 0.97 -1.10 0.82 1.06 0.00 0.00 176.91 178.74 1cww h ILE 30 N 0.50 1.35 0.00 -1.22 2.04 -1.33 -2.49 117.51 116.37 1cww h ILE 30 Ca 0.03 -2.46 -0.02 0.00 1.00 0.00 0.00 64.86 63.41 1cww h ILE 30 Cb 1.01 2.85 -0.00 0.00 -0.74 0.00 0.00 36.82 39.93 1cww h ILE 30 CO 0.09 0.73 -0.10 -1.28 0.00 0.00 0.00 178.15 177.60 1cww h SER 31 N 0.06 0.00 0.85 1.72 0.87 -1.20 0.53 113.55 116.38 1cww h SER 31 Ca -0.17 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.25 1cww h SER 31 Cb 1.81 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.75 1cww h SER 31 CO 0.21 0.10 -0.64 -0.78 -0.53 0.00 0.00 176.83 175.19 1cww h ASP 32 N 0.00 0.00 0.00 6.23 1.82 -1.20 -3.47 116.42 119.80 1cww h ASP 32 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1cww h ASP 32 Cb 0.38 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.39 1cww h ASP 32 CO 0.01 0.64 0.00 0.61 -1.61 0.00 0.00 179.24 178.89 1cww n GLY 33 N 0.60 0.58 0.17 -0.78 0.00 0.18 -4.96 105.19 100.99 1cww n GLY 33 Ca -0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1cww n GLY 33 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1cww h PHE 34 N 0.00 0.00 -3.50 1.61 -1.00 -1.65 -3.44 116.94 108.96 1cww h PHE 34 Ca 0.00 0.00 -0.66 0.00 2.81 0.00 0.00 57.97 60.12 1cww h PHE 34 Cb 0.00 0.00 -0.21 0.00 3.61 0.00 0.00 35.95 39.35 1cww h PHE 34 CO 0.00 0.25 -0.70 -0.51 -1.61 0.00 0.00 178.31 175.74 1cww s LEU 35 N -6.27 3.11 0.54 1.54 1.43 -1.08 -5.00 118.68 112.96 1cww s LEU 35 Ca 0.05 -0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.08 1cww s LEU 35 Cb 0.07 -1.70 0.05 0.00 0.03 0.00 0.00 46.19 44.63 1cww s LEU 35 CO 0.72 0.26 0.75 0.42 0.23 0.00 0.00 176.35 178.74 1cww s THR 36 N -0.22 2.59 0.41 5.49 -4.23 -1.26 -4.57 115.64 113.85 1cww s THR 36 Ca 0.03 -0.81 0.10 0.00 -1.18 0.00 0.00 61.69 59.83 1cww s THR 36 Cb -0.13 -2.78 0.30 0.00 1.34 0.00 0.00 72.50 71.23 1cww s THR 36 CO 0.03 0.00 2.00 0.40 -0.54 0.00 0.00 174.62 176.51 1cww h ILE 37 N 0.15 0.99 -0.31 2.99 2.04 -1.98 0.14 117.51 121.54 1cww h ILE 37 Ca -0.38 -0.18 -0.11 0.00 1.00 0.00 0.00 64.86 65.19 1cww h ILE 37 Cb 1.29 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1cww h ILE 37 CO 0.46 0.10 -0.25 0.77 0.00 0.00 0.00 178.15 179.23 1cww h SER 38 N 0.52 0.61 -0.16 1.72 4.64 -1.99 0.17 113.55 119.06 1cww h SER 38 Ca 0.24 -0.22 -0.09 0.00 -0.47 0.00 0.00 61.79 61.26 1cww h SER 38 Cb 0.29 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1cww h SER 38 CO -0.07 0.85 -0.24 -0.33 -0.87 0.00 0.00 176.83 176.17 1cww h GLU 39 N 0.53 0.46 0.03 4.77 4.39 -1.45 -2.90 114.58 120.41 1cww h GLU 39 Ca 0.07 -0.27 0.01 0.00 0.34 0.00 0.00 59.36 59.52 1cww h GLU 39 Cb 0.71 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.36 1cww h GLU 39 CO 0.05 0.86 -0.10 1.49 -1.16 0.00 0.00 179.01 180.15 1cww h GLU 40 N 0.09 -0.18 0.09 2.33 4.81 -0.60 -2.14 114.58 118.97 1cww h GLU 40 Ca 0.02 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1cww h GLU 40 Cb 0.81 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.19 1cww h GLU 40 CO 0.06 -0.12 -0.37 1.49 -0.73 0.00 0.00 179.01 179.34 1cww h GLU 41 N -0.19 -0.56 0.10 1.92 4.22 -0.70 -2.17 114.58 117.21 1cww h GLU 41 Ca 0.03 0.04 -0.00 0.00 0.08 0.00 0.00 59.36 59.50 1cww h GLU 41 Cb 0.22 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1cww h GLU 41 CO -0.08 -0.37 -0.05 -0.22 -2.18 0.00 0.00 179.01 176.11 1cww h LYS 42 N -0.58 -0.13 -0.71 1.92 3.64 -1.45 0.37 116.57 119.64 1cww h LYS 42 Ca 0.04 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.52 1cww h LYS 42 Cb 0.62 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.40 1cww h LYS 42 CO -0.24 0.00 0.34 0.28 -2.27 0.00 0.00 179.45 177.56 1cww h VAL 43 N -0.23 0.82 0.00 2.00 2.07 -1.35 -2.35 116.25 117.20 1cww h VAL 43 Ca -0.01 -0.19 -0.10 0.00 0.82 0.00 0.00 66.70 67.21 1cww h VAL 43 Cb 0.19 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 1cww h VAL 43 CO 0.02 0.10 -0.88 -0.09 0.02 0.00 0.00 177.57 176.75 1cww h ARG 44 N 0.57 0.00 0.00 1.57 2.43 -1.33 -3.36 114.38 114.27 1cww h ARG 44 Ca 0.35 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.38 1cww h ARG 44 Cb 0.40 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 1cww h ARG 44 CO -0.29 0.30 -0.70 -2.95 -1.51 0.00 0.00 179.97 174.82 1cww h ASN 45 N 0.00 0.00 -4.26 -3.80 7.08 0.16 -3.46 115.58 111.30 1cww h ASN 45 Ca -0.06 0.00 -0.52 0.00 -3.08 0.00 0.00 56.30 52.63 1cww h ASN 45 Cb 1.37 0.00 0.18 0.00 -2.08 0.00 0.00 38.32 37.79 1cww h ASN 45 CO 0.04 0.70 0.27 -1.61 -2.08 0.00 0.00 177.43 174.75 1cww s GLU 46 N -3.25 1.38 0.00 4.14 0.41 -0.92 -4.96 118.70 115.50 1cww s GLU 46 Ca 0.00 1.55 0.00 0.00 -0.41 0.00 0.00 54.97 56.11 1cww s GLU 46 Cb 0.11 -1.77 0.00 0.00 -1.78 0.00 0.00 34.13 30.69 1cww s GLU 46 CO 0.77 -2.37 0.00 -2.30 -0.49 0.00 0.00 175.26 170.87 1cww n PRO 47 N -3.87 0.00 -1.42 0.39 -0.02 -1.26 -4.74 135.00 124.08 1cww n PRO 47 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1cww n PRO 47 Cb 0.52 -0.19 0.00 0.00 -0.02 0.00 0.00 33.50 33.81 1cww n PRO 47 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1cww n THR 48 N 0.00 0.00 0.04 3.45 -2.24 -1.26 -4.96 114.28 109.32 1cww n THR 48 Ca 0.00 0.00 0.22 0.00 -2.27 0.00 0.00 64.05 62.00 1cww n THR 48 Cb 0.00 0.00 0.69 0.00 -2.10 0.00 0.00 70.33 68.92 1cww n THR 48 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1cww h GLN 49 N 0.00 0.00 -0.09 -0.78 4.15 -1.94 0.58 115.11 117.03 1cww h GLN 49 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.43 1cww h GLN 49 Cb 0.00 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 1cww h GLN 49 CO 0.00 0.00 -0.18 0.37 -1.93 0.00 0.00 178.83 177.09 1cww h GLN 50 N 0.00 -0.15 0.00 1.69 4.15 -1.97 0.69 115.11 119.52 1cww h GLN 50 Ca 0.24 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.68 1cww h GLN 50 Cb 1.42 0.03 0.00 0.00 0.21 0.00 0.00 27.48 29.14 1cww h GLN 50 CO -0.00 -0.10 -0.64 0.94 -1.93 0.00 0.00 178.83 177.10 1cww n GLN 51 N -3.52 0.09 -0.04 1.69 7.27 -0.64 -2.65 117.38 119.58 1cww n GLN 51 Ca -0.02 0.01 -0.11 0.00 0.07 0.00 0.00 57.00 56.96 1cww n GLN 51 Cb 0.11 -1.54 -0.09 0.00 2.41 0.00 0.00 30.24 31.13 1cww n GLN 51 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1cww h ARG 52 N 0.00 -0.04 -0.45 3.69 3.08 0.48 0.21 114.38 121.34 1cww h ARG 52 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 1cww h ARG 52 Cb 0.57 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 1cww h ARG 52 CO 0.00 0.62 -0.06 0.00 -1.07 0.00 0.00 179.97 179.46 1cww h ALA 53 N -0.17 0.62 -0.39 0.04 0.00 0.22 -1.63 119.26 117.95 1cww h ALA 53 Ca -0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1cww h ALA 53 Cb 0.69 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1cww h ALA 53 CO 0.01 0.47 0.18 0.00 0.00 0.00 0.00 179.25 179.91 1cww h ALA 54 N 0.89 1.59 -0.34 0.00 0.00 -1.53 -0.43 119.26 119.44 1cww h ALA 54 Ca 0.12 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 1cww h ALA 54 Cb 0.59 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1cww h ALA 54 CO 0.04 0.33 -0.45 1.98 0.00 0.00 0.00 179.25 181.15 1cww h MET 55 N 0.54 0.89 0.29 0.00 -1.53 -0.50 0.27 114.93 114.89 1cww h MET 55 Ca 0.14 -0.50 -0.01 0.00 -3.44 0.00 0.00 59.70 55.88 1cww h MET 55 Cb 0.07 0.03 0.00 0.00 -0.55 0.00 0.00 31.60 31.15 1cww h MET 55 CO -0.02 1.14 -0.14 1.25 0.14 0.00 0.00 176.91 179.28 1cww h LEU 56 N 0.71 -0.33 -1.35 3.39 5.85 -0.60 0.28 115.31 123.25 1cww h LEU 56 Ca 0.04 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 1cww h LEU 56 Cb 1.04 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1cww h LEU 56 CO 0.10 -0.20 -0.07 0.40 -0.34 0.00 0.00 178.44 178.34 1cww h ILE 57 N -0.44 1.18 -0.47 4.05 2.04 -1.08 -2.30 117.51 120.50 1cww h ILE 57 Ca -0.04 -0.75 -0.09 0.00 1.00 0.00 0.00 64.86 64.98 1cww h ILE 57 Cb 0.33 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 1cww h ILE 57 CO 0.07 0.24 -0.07 0.50 0.00 0.00 0.00 178.15 178.89 1cww h LYS 58 N 0.34 0.82 0.83 2.37 3.64 0.02 -0.81 116.57 123.78 1cww h LYS 58 Ca 0.07 -0.26 -0.04 0.00 -1.27 0.00 0.00 60.65 59.16 1cww h LYS 58 Cb 0.34 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1cww h LYS 58 CO 0.02 0.87 -0.48 0.52 -2.27 0.00 0.00 179.45 178.10 1cww h MET 59 N 0.75 -1.18 -0.54 1.90 2.86 -0.37 -2.63 114.93 115.72 1cww h MET 59 Ca 0.13 0.08 0.07 0.00 -2.06 0.00 0.00 59.70 57.92 1cww h MET 59 Cb 0.55 0.27 -0.03 0.00 0.06 0.00 0.00 31.60 32.45 1cww h MET 59 CO 0.03 -0.79 0.36 0.82 1.06 0.00 0.00 176.91 178.40 1cww h ILE 60 N -1.22 0.95 -0.78 -1.22 5.03 -1.47 -0.88 117.51 117.92 1cww h ILE 60 Ca -0.11 -0.15 0.16 0.00 -0.12 0.00 0.00 64.86 64.63 1cww h ILE 60 Cb 0.97 0.47 -0.05 0.00 -3.03 0.00 0.00 36.82 35.18 1cww h ILE 60 CO 0.13 0.08 0.52 0.25 -0.68 0.00 0.00 178.15 178.45 1cww h LEU 61 N 0.44 0.39 -3.63 1.44 6.46 -0.77 -1.66 115.31 118.00 1cww h LEU 61 Ca 0.24 0.02 -0.45 0.00 -0.12 0.00 0.00 57.88 57.57 1cww h LEU 61 Cb 0.37 -0.05 -0.34 0.00 -0.73 0.00 0.00 40.66 39.90 1cww h LEU 61 CO -0.06 0.20 -0.65 2.29 -0.62 0.00 0.00 178.44 179.60 1cww n LYS 62 N -4.48 3.17 -0.43 1.25 2.85 -0.37 -4.98 118.16 115.17 1cww n LYS 62 Ca 0.15 -3.94 0.00 0.00 -1.05 0.00 0.00 58.31 53.47 1cww n LYS 62 Cb 0.55 -2.16 0.00 0.00 -0.65 0.00 0.00 35.03 32.78 1cww n LYS 62 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1cww n LYS 63 N -0.80 3.38 -4.54 -1.58 5.02 -0.62 -5.04 118.16 113.97 1cww n LYS 63 Ca 0.41 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.39 1cww n LYS 63 Cb 0.91 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.86 1cww n LYS 63 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1cww s ASP 64 N 0.57 4.24 0.22 4.39 1.01 -1.26 -2.45 116.67 123.39 1cww s ASP 64 Ca 0.00 -1.53 -0.07 0.00 0.71 0.00 0.00 52.55 51.66 1cww s ASP 64 Cb 0.00 0.41 0.33 0.00 1.01 0.00 0.00 42.92 44.67 1cww s ASP 64 CO 0.00 -0.87 1.76 -1.13 0.21 0.00 0.00 175.17 175.14 1cww h ASN 65 N 1.25 0.35 -0.65 0.27 -0.73 -1.89 0.38 115.58 114.55 1cww h ASN 65 Ca -0.42 0.07 0.02 0.00 1.87 0.00 0.00 56.30 57.84 1cww h ASN 65 Cb 1.31 0.02 -0.04 0.00 0.27 0.00 0.00 38.32 39.88 1cww h ASN 65 CO 0.71 0.20 0.41 -2.24 -0.37 0.00 0.00 177.43 176.13 1cww h ASP 66 N 0.51 0.68 0.64 1.15 2.03 -1.97 0.20 116.42 119.66 1cww h ASP 66 Ca 0.34 -0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 56.49 1cww h ASP 66 Cb 0.41 -0.15 -0.02 0.00 -0.83 0.00 0.00 39.33 38.74 1cww h ASP 66 CO -0.30 0.47 -0.71 0.28 -1.03 0.00 0.00 179.24 177.96 1cww h SER 67 N 0.81 0.06 -0.39 4.15 0.02 -1.82 -2.34 113.55 114.04 1cww h SER 67 Ca 0.26 -0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 61.10 1cww h SER 67 Cb 0.00 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 1cww h SER 67 CO -0.10 0.75 -0.01 0.22 -1.14 0.00 0.00 176.83 176.56 1cww h TYR 68 N 0.04 0.76 0.00 3.45 3.20 -0.16 0.62 116.97 124.87 1cww h TYR 68 Ca -0.01 -0.13 -0.08 0.00 3.14 0.00 0.00 58.73 61.64 1cww h TYR 68 Cb 1.25 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 1cww h TYR 68 CO 0.01 0.78 -0.39 0.28 -1.64 0.00 0.00 178.16 177.19 1cww h VAL 69 N 0.52 1.22 -0.01 1.81 2.07 -0.57 0.34 116.25 121.62 1cww h VAL 69 Ca 0.11 -1.38 -0.00 0.00 0.82 0.00 0.00 66.70 66.25 1cww h VAL 69 Cb 0.48 1.76 -0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1cww h VAL 69 CO 0.02 0.39 -0.00 -1.28 0.02 0.00 0.00 177.57 176.71 1cww h SER 70 N 0.00 0.01 -0.83 0.57 0.87 -0.84 0.29 113.55 113.63 1cww h SER 70 Ca -0.00 -0.48 0.06 0.00 -1.23 0.00 0.00 61.79 60.13 1cww h SER 70 Cb 0.73 -0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.63 1cww h SER 70 CO 0.05 0.49 0.54 0.15 -0.53 0.00 0.00 176.83 177.53 1cww h PHE 71 N -0.46 0.94 -0.15 2.24 3.57 0.57 0.17 116.94 123.83 1cww h PHE 71 Ca 0.00 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 1cww h PHE 71 Cb 0.49 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1cww h PHE 71 CO 0.09 0.51 0.09 -0.92 -2.23 0.00 0.00 178.31 175.86 1cww h TYR 72 N 0.95 0.19 -0.61 0.41 3.20 -0.12 -2.06 116.97 118.93 1cww h TYR 72 Ca 0.35 0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.28 1cww h TYR 72 Cb 0.16 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.32 1cww h TYR 72 CO -0.00 0.15 0.32 -0.97 -1.64 0.00 0.00 178.16 176.02 1cww h ASN 73 N 0.18 0.45 -0.20 -2.11 -0.73 0.12 -1.31 115.58 111.97 1cww h ASN 73 Ca 0.05 0.04 -0.01 0.00 1.87 0.00 0.00 56.30 58.25 1cww h ASN 73 Cb 0.01 -0.05 -0.01 0.00 0.27 0.00 0.00 38.32 38.54 1cww h ASN 73 CO -0.01 0.29 0.10 0.00 -0.37 0.00 0.00 177.43 177.44 1cww h ALA 74 N 1.34 1.72 -0.49 1.57 0.00 -0.35 -1.12 119.26 121.92 1cww h ALA 74 Ca 0.28 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 1cww h ALA 74 Cb 0.21 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1cww h ALA 74 CO -0.20 0.23 -0.13 -0.07 0.00 0.00 0.00 179.25 179.08 1cww h LEU 75 N 0.34 0.93 -0.32 0.00 3.38 -0.55 -1.72 115.31 117.37 1cww h LEU 75 Ca 0.09 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1cww h LEU 75 Cb 0.07 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1cww h LEU 75 CO -0.01 1.06 0.00 0.18 0.09 0.00 0.00 178.44 179.76 1cww n LEU 76 N -4.14 0.52 0.04 1.67 4.32 -0.54 0.27 117.00 119.15 1cww n LEU 76 Ca 0.01 0.60 -0.09 0.00 -0.02 0.00 0.00 56.01 56.51 1cww n LEU 76 Cb 0.40 -0.49 -0.13 0.00 -1.62 0.00 0.00 43.42 41.59 1cww n LEU 76 CO 0.45 -0.34 -0.08 0.45 -1.22 0.00 0.00 177.39 176.65 1cww h HIS 77 N 0.00 0.07 -0.74 -1.77 3.86 -0.34 -3.36 115.15 112.87 1cww h HIS 77 Ca 0.00 -0.05 -0.53 0.00 -1.16 0.00 0.00 60.37 58.63 1cww h HIS 77 Cb 0.46 -0.00 -0.37 0.00 1.06 0.00 0.00 27.41 28.55 1cww h HIS 77 CO 0.00 1.05 -0.49 0.39 0.86 0.00 0.00 177.93 179.75 1cww n GLU 78 N -3.30 3.29 -2.33 2.45 -0.58 -1.01 -4.96 120.64 114.21 1cww n GLU 78 Ca -0.06 -3.94 -0.18 0.00 -0.42 0.00 0.00 57.16 52.56 1cww n GLU 78 Cb 0.98 -2.23 -0.01 0.00 -0.57 0.00 0.00 31.44 29.61 1cww n GLU 78 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1cww n GLY 79 N -0.78 -0.32 2.39 0.62 0.00 -1.19 -4.91 105.19 100.98 1cww n GLY 79 Ca 0.45 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 46.08 1cww n GLY 79 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1cww n TYR 80 N -3.97 3.12 0.18 1.61 4.01 0.14 -4.74 117.16 117.52 1cww n TYR 80 Ca -0.22 -2.71 0.02 0.00 -0.16 0.00 0.00 57.90 54.83 1cww n TYR 80 Cb 0.67 -0.48 0.34 0.00 -0.31 0.00 0.00 39.34 39.55 1cww n TYR 80 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1cww h LYS 81 N 2.46 0.00 -0.50 -0.72 3.11 -1.90 -2.71 116.57 116.30 1cww h LYS 81 Ca 0.40 -0.00 -0.12 0.00 -2.81 0.00 0.00 60.65 58.11 1cww h LYS 81 Cb 0.96 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.18 1cww h LYS 81 CO 1.00 0.39 -0.18 -0.44 -2.81 0.00 0.00 179.45 177.41 1cww h ASP 82 N 0.00 1.02 -0.36 4.20 3.32 -1.93 0.81 116.42 123.48 1cww h ASP 82 Ca -0.00 -0.37 -0.09 0.00 0.02 0.00 0.00 57.03 56.59 1cww h ASP 82 Cb 0.69 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1cww h ASP 82 CO 0.05 1.16 -0.14 0.25 -1.72 0.00 0.00 179.24 178.84 1cww h LEU 83 N 0.87 0.74 -1.44 1.55 7.12 -1.93 -2.23 115.31 120.00 1cww h LEU 83 Ca 0.12 -0.39 -0.05 0.00 0.13 0.00 0.00 57.88 57.69 1cww h LEU 83 Cb 0.75 -0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 40.66 1cww h LEU 83 CO 0.06 0.97 -0.16 0.00 -0.13 0.00 0.00 178.44 179.18 1cww h ALA 84 N 0.80 1.54 -0.11 1.25 0.00 -1.25 -1.70 119.26 119.79 1cww h ALA 84 Ca 0.08 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1cww h ALA 84 Cb 0.67 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1cww h ALA 84 CO 0.05 0.33 -0.31 0.00 0.00 0.00 0.00 179.25 179.32 1cww h ALA 85 N 1.68 1.27 0.00 0.00 0.00 0.11 0.25 119.26 122.58 1cww h ALA 85 Ca 0.03 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1cww h ALA 85 Cb 0.38 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1cww h ALA 85 CO 0.02 0.50 0.00 1.28 0.00 0.00 0.00 179.25 181.05 1cww n LEU 86 N -4.12 0.37 -0.05 0.00 4.77 -0.65 -1.90 117.00 115.42 1cww n LEU 86 Ca -0.01 0.61 0.02 0.00 -0.03 0.00 0.00 56.01 56.60 1cww n LEU 86 Cb 0.40 -0.58 -0.01 0.00 -2.33 0.00 0.00 43.42 40.90 1cww n LEU 86 CO 0.40 -0.52 0.09 0.18 -1.33 0.00 0.00 177.39 176.21 1cww n LEU 87 N -1.92 0.53 0.07 2.23 4.32 -0.05 -4.63 117.00 117.56 1cww n LEU 87 Ca 0.02 -0.65 0.08 0.00 -0.02 0.00 0.00 56.01 55.44 1cww n LEU 87 Cb 0.15 0.00 0.53 0.00 -1.62 0.00 0.00 43.42 42.49 1cww n LEU 87 CO 0.14 0.12 1.14 -0.74 -1.22 0.00 0.00 177.39 176.83 1cww h HIS 88 N 0.26 0.28 0.00 -1.77 2.76 0.12 0.13 115.15 116.93 1cww h HIS 88 Ca 0.00 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.17 1cww h HIS 88 Cb 0.12 -0.09 -0.00 0.00 1.55 0.00 0.00 27.41 28.98 1cww h HIS 88 CO 0.00 0.16 -0.04 -0.44 -1.30 0.00 0.00 177.93 176.31 1cww h ASP 89 N 0.29 0.00 0.35 3.26 3.32 -1.83 -2.35 116.42 119.46 1cww h ASP 89 Ca 0.13 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.87 1cww h ASP 89 Cb 0.16 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.66 1cww h ASP 89 CO -0.03 0.04 -1.90 0.61 -1.72 0.00 0.00 179.24 176.24 1cww n GLY 90 N -0.44 -0.98 3.73 2.75 0.00 0.35 -4.89 105.19 105.70 1cww n GLY 90 Ca -0.01 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 1cww n GLY 90 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cww s ILE 91 N -2.57 2.98 0.00 -0.61 -1.09 -0.50 -4.71 121.20 114.70 1cww s ILE 91 Ca -0.07 0.77 0.00 0.00 -2.23 0.00 0.00 60.65 59.12 1cww s ILE 91 Cb 0.07 -3.49 0.00 0.00 -1.58 0.00 0.00 42.46 37.46 1cww s ILE 91 CO 0.82 0.09 0.00 -2.65 -1.23 0.00 0.00 174.94 171.98 1cww n PRO 92 N 3.07 2.72 -2.78 2.79 -0.02 -1.26 -4.91 135.00 134.61 1cww n PRO 92 Ca 0.09 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.14 1cww n PRO 92 Cb 0.41 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.86 1cww n PRO 92 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1cww s VAL 93 N 0.00 4.47 -1.16 -1.45 1.01 -1.26 -4.95 120.40 117.05 1cww s VAL 93 Ca 0.00 0.96 -0.08 0.00 0.00 0.00 0.00 61.98 62.87 1cww s VAL 93 Cb 0.00 -4.43 0.25 0.00 0.00 0.00 0.00 36.38 32.20 1cww s VAL 93 CO 0.00 -0.77 1.51 1.33 0.00 0.00 0.00 175.10 177.18 1cww n VAL 94 N 6.34 4.78 -3.03 2.92 0.24 -1.26 -4.99 118.33 123.33 1cww n VAL 94 Ca 0.07 -5.25 -0.42 0.00 -2.04 0.00 0.00 64.34 56.71 1cww n VAL 94 Cb 0.48 -2.31 -0.06 0.00 -1.47 0.00 0.00 33.84 30.49 1cww n VAL 94 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1cww s SER 95 N 0.18 6.51 -0.13 -1.34 0.15 -1.26 -4.88 113.70 112.92 1cww s SER 95 Ca 0.35 0.30 0.08 0.00 0.70 0.00 0.00 55.95 57.38 1cww s SER 95 Cb 0.02 -2.36 -0.23 0.00 -1.71 0.00 0.00 66.02 61.73 1cww s SER 95 CO 0.03 -0.64 0.32 -0.24 1.20 0.00 0.00 173.24 173.91 1cww n SER 96 N 6.20 1.12 0.00 5.45 2.88 -1.26 -5.31 113.62 122.69 1cww n SER 96 Ca 0.01 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 1cww n SER 96 Cb 0.48 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 1cww n SER 96 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57