#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cww n PRO -4 N 0.00 3.12 -3.14 1.61 -0.04 -1.26 -4.97 135.00 130.32 1cww n PRO -4 Ca 0.00 -3.07 -0.39 0.00 -0.04 0.00 0.00 63.50 60.00 1cww n PRO -4 Cb 0.00 -3.28 -0.06 0.00 -0.04 0.00 0.00 33.50 30.12 1cww n PRO -4 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1cww s LEU -3 N 2.45 4.46 0.00 1.53 1.02 -1.26 -4.94 118.68 121.94 1cww s LEU -3 Ca 0.48 1.29 0.00 0.00 0.02 0.00 0.00 54.13 55.92 1cww s LEU -3 Cb 0.09 -3.03 0.00 0.00 0.02 0.00 0.00 46.19 43.27 1cww s LEU -3 CO -0.01 0.12 0.49 0.61 0.02 0.00 0.00 176.35 177.58 1cww n GLY -2 N 2.24 -0.15 0.00 -3.19 0.00 -1.26 -5.06 105.19 97.77 1cww n GLY -2 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1cww n GLY -2 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1cww n SER -1 N -0.12 0.00 -4.86 1.61 2.88 -1.26 -4.86 113.62 107.01 1cww n SER -1 Ca 0.00 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.18 1cww n SER -1 Cb 0.25 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.65 1cww n SER -1 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1cww s MET 1 N 4.75 3.38 0.19 -1.46 -2.45 -1.18 -2.33 119.30 120.21 1cww s MET 1 Ca 0.00 -0.19 -0.32 0.00 -1.25 0.00 0.00 55.69 53.94 1cww s MET 1 Cb 0.00 -3.13 -0.11 0.00 1.25 0.00 0.00 34.83 32.84 1cww s MET 1 CO 0.00 0.76 1.62 0.34 1.05 0.00 0.00 175.02 178.78 1cww s ASP 2 N -1.13 6.50 0.26 1.11 2.15 -1.26 -4.83 116.67 119.47 1cww s ASP 2 Ca 0.16 2.73 -0.05 0.00 0.43 0.00 0.00 52.55 55.82 1cww s ASP 2 Cb -0.12 -2.60 0.30 0.00 -0.30 0.00 0.00 42.92 40.20 1cww s ASP 2 CO 0.06 -0.87 1.91 0.00 -0.17 0.00 0.00 175.17 176.10 1cww h ALA 3 N 6.56 1.28 -0.35 3.66 0.00 -1.97 0.73 119.26 129.17 1cww h ALA 3 Ca -0.43 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 1cww h ALA 3 Cb 1.20 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1cww h ALA 3 CO 0.91 0.63 0.02 -0.22 0.00 0.00 0.00 179.25 180.59 1cww h LYS 4 N 1.25 0.54 0.08 0.00 1.63 -1.95 0.16 116.57 118.28 1cww h LYS 4 Ca 0.33 -0.11 -0.00 0.00 -0.85 0.00 0.00 60.65 60.02 1cww h LYS 4 Cb -0.08 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.47 1cww h LYS 4 CO -0.06 0.55 -0.04 0.00 -3.45 0.00 0.00 179.45 176.45 1cww h ALA 5 N 1.50 -0.10 -0.08 5.00 0.00 -1.49 -2.14 119.26 121.95 1cww h ALA 5 Ca 0.11 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1cww h ALA 5 Cb 0.31 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1cww h ALA 5 CO 0.01 -0.13 0.08 -0.09 0.00 0.00 0.00 179.25 179.12 1cww h ARG 6 N -0.97 0.00 0.02 0.00 2.43 0.48 -2.52 114.38 113.81 1cww h ARG 6 Ca -0.01 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.07 1cww h ARG 6 Cb 0.46 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1cww h ARG 6 CO 0.02 0.00 -0.46 -0.91 -1.51 0.00 0.00 179.97 177.10 1cww h ASN 7 N 0.00 0.06 -0.18 -3.80 2.35 -0.76 -2.62 115.58 110.63 1cww h ASN 7 Ca 0.04 -0.87 0.05 0.00 -0.55 0.00 0.00 56.30 54.97 1cww h ASN 7 Cb 0.19 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 1cww h ASN 7 CO -0.00 1.19 0.32 0.00 -1.65 0.00 0.00 177.43 177.29 1cww h LEU 9 N 0.00 -0.03 -0.52 0.00 5.85 -1.53 -3.32 115.31 115.77 1cww h LEU 9 Ca 0.09 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.66 1cww h LEU 9 Cb 0.73 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 1cww h LEU 9 CO -0.00 0.31 -0.68 -0.07 -0.34 0.00 0.00 178.44 177.66 1cww h LEU 10 N -0.70 0.00 -1.44 2.25 3.38 -0.99 -3.21 115.31 114.60 1cww h LEU 10 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1cww h LEU 10 Cb 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1cww h LEU 10 CO 0.01 0.68 0.02 -0.61 0.09 0.00 0.00 178.44 178.62 1cww h GLN 11 N 0.00 0.38 -1.76 1.13 4.15 0.10 -1.80 115.11 117.31 1cww h GLN 11 Ca -0.01 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 1cww h GLN 11 Cb 1.28 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.90 1cww h GLN 11 CO 0.09 0.40 0.01 0.72 -1.93 0.00 0.00 178.83 178.12 1cww n HIS 12 N -4.35 0.05 -0.38 3.99 8.25 -1.21 -4.48 115.22 117.09 1cww n HIS 12 Ca 0.01 -0.91 0.31 0.00 -0.26 0.00 0.00 57.72 56.86 1cww n HIS 12 Cb 0.19 -0.46 0.60 0.00 1.12 0.00 0.00 29.99 31.45 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 0.78 0.21 -0.20 -0.41 9.65 -1.53 0.77 114.38 123.65 1cww h ARG 13 Ca 0.01 -0.01 0.06 0.00 -1.10 0.00 0.00 59.98 58.93 1cww h ARG 13 Cb 1.00 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.53 1cww h ARG 13 CO 0.02 0.14 0.16 1.49 2.80 0.00 0.00 179.97 184.58 1cww h GLU 14 N 0.21 0.00 0.00 0.20 4.57 -1.88 -1.67 114.58 116.01 1cww h GLU 14 Ca 0.70 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.88 1cww h GLU 14 Cb 2.09 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.68 1cww h GLU 14 CO -0.32 0.00 -1.57 0.00 -1.18 0.00 0.00 179.01 175.94 1cww n ALA 15 N -2.51 2.46 -1.00 2.92 0.00 0.22 -4.47 120.51 118.13 1cww n ALA 15 Ca 0.02 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1cww n ALA 15 Cb 0.30 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.32 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 -1.94 0.00 0.19 0.00 -0.00 0.16 -0.68 117.00 114.73 1cww n LEU 16 Ca -0.02 0.20 0.13 0.00 -0.00 0.00 0.00 56.01 56.32 1cww n LEU 16 Cb 0.33 0.00 0.69 0.00 -0.00 0.00 0.00 43.42 44.45 1cww n LEU 16 CO 0.26 0.00 0.90 -0.08 -0.00 0.00 0.00 177.39 178.47 1cww h GLU 17 N 0.00 0.00 0.07 1.96 4.81 -1.86 0.25 114.58 119.82 1cww h GLU 17 Ca 0.00 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 1cww h GLU 17 Cb 0.00 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.40 1cww h GLU 17 CO 0.00 0.00 -0.62 0.87 -0.73 0.00 0.00 179.01 178.53 1cww h LYS 18 N 0.00 0.29 0.00 1.92 1.57 -1.73 -3.41 116.57 115.20 1cww h LYS 18 Ca 0.00 -0.41 -0.03 0.00 -1.87 0.00 0.00 60.65 58.35 1cww h LYS 18 Cb 0.04 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1cww h LYS 18 CO 0.00 1.15 -1.37 -0.25 -0.57 0.00 0.00 179.45 178.41 1cww n ASP 19 N -4.24 3.30 -4.60 0.86 8.00 0.14 -4.96 116.55 115.04 1cww n ASP 19 Ca -0.12 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 54.95 1cww n ASP 19 Cb 0.72 1.20 -0.03 0.00 -0.02 0.00 0.00 41.12 42.98 1cww n ASP 19 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1cww s ILE 20 N -2.44 3.23 0.56 0.53 1.01 0.87 -4.95 121.20 120.01 1cww s ILE 20 Ca -0.03 0.24 0.05 0.00 0.00 0.00 0.00 60.65 60.91 1cww s ILE 20 Cb 0.04 -3.30 0.05 0.00 0.01 0.00 0.00 42.46 39.26 1cww s ILE 20 CO 0.30 -0.18 0.43 -0.54 0.00 0.00 0.00 174.94 174.95 1cww s LYS 21 N 5.93 2.24 0.00 2.79 3.01 -1.26 -4.83 119.74 127.62 1cww s LYS 21 Ca 0.90 -2.05 0.00 0.00 -1.01 0.00 0.00 55.97 53.81 1cww s LYS 21 Cb -0.29 -2.10 0.00 0.00 -1.01 0.00 0.00 37.83 34.43 1cww s LYS 21 CO 0.34 -0.68 0.00 -2.37 0.51 0.00 0.00 175.35 173.16 1cww n THR 22 N -1.82 0.00 0.00 2.17 5.66 -1.26 -4.74 114.28 114.29 1cww n THR 22 Ca -0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 1cww n THR 22 Cb 0.64 -0.17 0.00 0.00 -1.55 0.00 0.00 70.33 69.26 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 -0.35 0.00 0.36 1.09 7.64 -1.26 0.67 113.62 121.76 1cww n SER 23 Ca 0.00 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.71 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 -0.85 -0.61 1.43 -1.99 -1.99 -1.16 116.97 111.81 1cww h TYR 24 Ca 0.00 -0.02 0.10 0.00 2.00 0.00 0.00 58.73 60.81 1cww h TYR 24 Cb 0.00 0.28 -0.08 0.00 2.00 0.00 0.00 36.73 38.93 1cww h TYR 24 CO 0.00 -0.50 0.20 0.82 -0.00 0.00 0.00 178.16 178.68 1cww h ILE 25 N -1.07 0.72 -0.07 -2.88 2.04 -1.19 0.41 117.51 115.47 1cww h ILE 25 Ca -0.09 -0.12 -0.06 0.00 1.00 0.00 0.00 64.86 65.58 1cww h ILE 25 Cb 0.73 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1cww h ILE 25 CO 0.15 0.07 -0.24 -0.03 0.00 0.00 0.00 178.15 178.10 1cww h MET 26 N 0.36 0.12 -0.32 2.37 4.05 0.23 -2.03 114.93 119.71 1cww h MET 26 Ca 0.31 -0.03 -0.05 0.00 -0.28 0.00 0.00 59.70 59.65 1cww h MET 26 Cb 0.42 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.19 1cww h MET 26 CO -0.34 0.35 -0.03 0.22 0.23 0.00 0.00 176.91 177.34 1cww h ASP 27 N 0.11 0.47 0.35 1.39 1.82 0.38 -1.15 116.42 119.79 1cww h ASP 27 Ca 0.02 -0.09 -0.16 0.00 -0.39 0.00 0.00 57.03 56.41 1cww h ASP 27 Cb 0.48 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.36 1cww h ASP 27 CO 0.03 0.56 -0.65 0.45 -1.61 0.00 0.00 179.24 178.02 1cww h HIS 28 N 0.47 0.36 -0.27 0.28 3.86 -0.79 -1.48 115.15 117.59 1cww h HIS 28 Ca 0.10 -0.15 -0.12 0.00 -1.16 0.00 0.00 60.37 59.04 1cww h HIS 28 Cb 0.36 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 1cww h HIS 28 CO 0.01 0.85 -0.32 0.52 0.86 0.00 0.00 177.93 179.85 1cww h MET 29 N 0.20 0.57 -0.05 2.45 2.86 -0.66 0.85 114.93 121.15 1cww h MET 29 Ca -0.01 -0.25 -0.22 0.00 -2.06 0.00 0.00 59.70 57.16 1cww h MET 29 Cb 1.18 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.83 1cww h MET 29 CO 0.10 0.82 -0.86 0.82 1.06 0.00 0.00 176.91 178.85 1cww h ILE 30 N 0.48 1.36 0.00 -1.22 2.04 -1.19 -2.51 117.51 116.48 1cww h ILE 30 Ca 0.06 -2.26 -0.08 0.00 1.00 0.00 0.00 64.86 63.58 1cww h ILE 30 Cb 0.80 2.25 -0.01 0.00 -0.74 0.00 0.00 36.82 39.12 1cww h ILE 30 CO 0.07 0.68 -0.37 -1.28 0.00 0.00 0.00 178.15 177.25 1cww h SER 31 N 0.31 0.00 0.89 1.72 0.87 -1.01 -1.30 113.55 115.03 1cww h SER 31 Ca -0.07 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.42 1cww h SER 31 Cb 1.48 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.43 1cww h SER 31 CO 0.16 0.37 -0.35 0.44 -0.53 0.00 0.00 176.83 176.92 1cww h ASP 32 N 0.00 0.00 0.00 6.23 5.19 -0.64 -3.47 116.42 123.74 1cww h ASP 32 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1cww h ASP 32 Cb 0.67 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.18 1cww h ASP 32 CO 0.05 0.35 0.00 0.61 -3.12 0.00 0.00 179.24 177.13 1cww n GLY 33 N 0.26 0.75 0.08 2.75 0.00 -0.49 -4.93 105.19 103.60 1cww n GLY 33 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.07 -3.37 1.61 -1.00 -1.70 -3.44 116.94 109.11 1cww h PHE 34 Ca 0.00 -0.05 -0.62 0.00 2.81 0.00 0.00 57.97 60.11 1cww h PHE 34 Cb 0.00 -0.00 -0.17 0.00 3.61 0.00 0.00 35.95 39.39 1cww h PHE 34 CO 0.00 1.06 -0.57 -0.51 -1.61 0.00 0.00 178.31 176.67 1cww s LEU 35 N -6.50 3.74 0.79 1.54 1.02 -1.06 -5.01 118.68 113.20 1cww s LEU 35 Ca -0.03 0.03 -0.04 0.00 0.02 0.00 0.00 54.13 54.11 1cww s LEU 35 Cb 0.09 -1.96 0.16 0.00 0.02 0.00 0.00 46.19 44.50 1cww s LEU 35 CO 0.83 0.13 1.08 0.42 0.02 0.00 0.00 176.35 178.83 1cww s THR 36 N 0.61 2.03 0.43 5.49 -4.23 -1.26 -4.31 115.64 114.40 1cww s THR 36 Ca 0.03 -0.50 0.27 0.00 -1.18 0.00 0.00 61.69 60.32 1cww s THR 36 Cb -0.13 -2.54 0.29 0.00 1.34 0.00 0.00 72.50 71.47 1cww s THR 36 CO 0.01 0.00 2.08 0.40 -0.54 0.00 0.00 174.62 176.58 1cww h ILE 37 N -0.81 0.58 -0.39 2.99 2.04 -1.98 -0.20 117.51 119.74 1cww h ILE 37 Ca -0.37 -0.49 -0.15 0.00 1.00 0.00 0.00 64.86 64.85 1cww h ILE 37 Cb 1.25 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 38.64 1cww h ILE 37 CO 0.37 0.11 -0.35 0.28 0.00 0.00 0.00 178.15 178.56 1cww h SER 38 N 0.00 0.96 -0.14 1.72 0.02 -1.99 0.22 113.55 114.35 1cww h SER 38 Ca -0.00 -0.42 -0.04 0.00 -0.84 0.00 0.00 61.79 60.49 1cww h SER 38 Cb 0.31 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 1cww h SER 38 CO 0.01 1.21 -0.06 -0.33 -1.14 0.00 0.00 176.83 176.52 1cww h GLU 39 N 0.76 0.29 -0.56 3.45 3.07 -1.58 -2.76 114.58 117.25 1cww h GLU 39 Ca 0.07 -0.13 0.07 0.00 -0.50 0.00 0.00 59.36 58.87 1cww h GLU 39 Cb 0.93 -0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.77 1cww h GLU 39 CO 0.09 0.62 0.24 1.49 -1.40 0.00 0.00 179.01 180.04 1cww h GLU 40 N -0.05 0.44 0.28 2.33 4.81 -0.98 -2.19 114.58 119.22 1cww h GLU 40 Ca 0.03 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1cww h GLU 40 Cb 0.53 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.77 1cww h GLU 40 CO 0.02 0.29 -0.48 1.49 -0.73 0.00 0.00 179.01 179.60 1cww h GLU 41 N 0.45 -0.79 0.20 1.92 4.81 -0.45 -1.48 114.58 119.25 1cww h GLU 41 Ca 0.26 0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.54 1cww h GLU 41 Cb 0.25 0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1cww h GLU 41 CO -0.23 -0.53 -0.10 0.87 -0.73 0.00 0.00 179.01 178.29 1cww h LYS 42 N -0.82 -0.26 -0.70 1.92 1.79 -1.34 0.16 116.57 117.30 1cww h LYS 42 Ca -0.02 0.02 0.07 0.00 -2.18 0.00 0.00 60.65 58.54 1cww h LYS 42 Cb 0.78 0.06 -0.06 0.00 -1.58 0.00 0.00 32.23 31.43 1cww h LYS 42 CO -0.18 -0.07 0.38 0.28 -1.08 0.00 0.00 179.45 178.78 1cww h VAL 43 N -0.42 0.93 0.00 0.50 2.07 -1.42 -1.61 116.25 116.30 1cww h VAL 43 Ca -0.03 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1cww h VAL 43 Cb 0.32 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1cww h VAL 43 CO 0.05 0.12 -0.26 -0.09 0.02 0.00 0.00 177.57 177.41 1cww h ARG 44 N 0.68 0.00 -0.03 1.57 2.43 -1.25 -3.29 114.38 114.48 1cww h ARG 44 Ca 0.33 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.36 1cww h ARG 44 Cb 0.26 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 1cww h ARG 44 CO -0.21 0.00 -0.61 -0.91 -1.51 0.00 0.00 179.97 176.73 1cww h ASN 45 N 0.00 0.12 -3.27 -3.80 2.35 0.32 -3.44 115.58 107.85 1cww h ASN 45 Ca 0.00 -0.07 -0.56 0.00 -0.55 0.00 0.00 56.30 55.12 1cww h ASN 45 Cb 0.81 -0.03 0.10 0.00 0.05 0.00 0.00 38.32 39.25 1cww h ASN 45 CO 0.00 0.70 0.61 -0.62 -1.65 0.00 0.00 177.43 176.47 1cww n GLU 46 N -3.84 2.25 0.19 0.81 -0.58 -1.07 -4.91 120.64 113.49 1cww n GLU 46 Ca -0.02 0.79 0.03 0.00 -0.42 0.00 0.00 57.16 57.55 1cww n GLU 46 Cb 0.61 -2.44 0.36 0.00 -0.57 0.00 0.00 31.44 29.41 1cww n GLU 46 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 1cww h PRO 47 N 3.20 0.00 -4.53 3.49 0.11 -1.92 -3.45 132.00 128.90 1cww h PRO 47 Ca -0.47 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.41 1cww h PRO 47 Cb 1.27 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.23 1cww h PRO 47 CO 0.67 0.39 -0.58 0.95 -0.21 0.00 0.00 178.00 179.22 1cww s THR 48 N -4.00 0.00 0.65 -1.15 -4.23 -1.26 -5.00 115.64 100.66 1cww s THR 48 Ca -0.02 -1.96 0.31 0.00 -1.18 0.00 0.00 61.69 58.84 1cww s THR 48 Cb 0.13 -2.48 0.32 0.00 1.34 0.00 0.00 72.50 71.82 1cww s THR 48 CO 0.71 0.00 1.96 -0.61 -0.54 0.00 0.00 174.62 176.14 1cww h GLN 49 N 2.58 0.00 0.00 3.99 4.15 -1.95 -0.92 115.11 122.97 1cww h GLN 49 Ca -0.35 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.07 1cww h GLN 49 Cb 1.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.94 1cww h GLN 49 CO 0.51 0.00 0.00 0.94 -1.93 0.00 0.00 178.83 178.35 1cww n GLN 50 N -3.07 0.00 0.00 1.69 7.27 -1.26 -0.27 117.38 121.74 1cww n GLN 50 Ca -0.00 0.46 0.12 0.00 0.07 0.00 0.00 57.00 57.64 1cww n GLN 50 Cb 0.40 -0.97 0.24 0.00 2.41 0.00 0.00 30.24 32.32 1cww n GLN 50 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1cww n GLN 51 N -0.92 0.57 0.21 3.69 6.02 -1.19 -2.60 117.38 123.16 1cww n GLN 51 Ca 0.00 -0.37 -0.12 0.00 -0.01 0.00 0.00 57.00 56.50 1cww n GLN 51 Cb 0.00 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 29.71 1cww n GLN 51 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1cww h ARG 52 N 0.91 -0.57 -0.29 -1.09 2.43 -0.98 0.31 114.38 115.10 1cww h ARG 52 Ca 0.00 0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.15 1cww h ARG 52 Cb 0.54 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 1cww h ARG 52 CO 0.00 -0.29 -0.05 0.00 -1.51 0.00 0.00 179.97 178.13 1cww h ALA 53 N -0.86 0.40 -0.68 2.80 0.00 -0.79 -2.66 119.26 117.47 1cww h ALA 53 Ca -0.06 -0.27 0.11 0.00 0.00 0.00 0.00 54.91 54.70 1cww h ALA 53 Cb 0.54 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1cww h ALA 53 CO 0.10 0.19 0.45 0.00 0.00 0.00 0.00 179.25 180.00 1cww h ALA 54 N 0.80 2.01 -0.33 0.00 0.00 -1.53 -0.08 119.26 120.13 1cww h ALA 54 Ca 0.08 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1cww h ALA 54 Cb 0.51 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1cww h ALA 54 CO 0.02 -0.17 -0.08 1.98 0.00 0.00 0.00 179.25 181.01 1cww h MET 55 N 0.46 0.63 0.28 0.00 -1.53 -0.04 0.31 114.93 115.05 1cww h MET 55 Ca 0.32 -0.24 -0.01 0.00 -3.44 0.00 0.00 59.70 56.33 1cww h MET 55 Cb 0.63 -0.04 0.00 0.00 -0.55 0.00 0.00 31.60 31.65 1cww h MET 55 CO -0.10 0.81 -0.14 1.25 0.14 0.00 0.00 176.91 178.87 1cww h LEU 56 N 0.41 -0.32 -1.80 3.39 5.85 -0.91 0.26 115.31 122.19 1cww h LEU 56 Ca 0.08 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1cww h LEU 56 Cb 0.57 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.68 1cww h LEU 56 CO 0.03 -0.18 -0.04 0.40 -0.34 0.00 0.00 178.44 178.31 1cww h ILE 57 N -0.44 1.07 -0.12 4.05 2.04 -1.04 -2.32 117.51 120.74 1cww h ILE 57 Ca -0.04 -0.27 -0.21 0.00 1.00 0.00 0.00 64.86 65.33 1cww h ILE 57 Cb 0.33 1.07 0.01 0.00 -0.74 0.00 0.00 36.82 37.48 1cww h ILE 57 CO 0.06 0.08 -0.78 0.50 0.00 0.00 0.00 178.15 178.02 1cww h LYS 58 N 0.08 0.66 0.24 2.37 3.64 0.11 -1.73 116.57 121.95 1cww h LYS 58 Ca 0.02 -0.55 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1cww h LYS 58 Cb 0.12 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 1cww h LYS 58 CO 0.01 1.17 -0.23 0.52 -2.27 0.00 0.00 179.45 178.64 1cww h MET 59 N 0.45 -0.49 -0.93 1.90 2.86 -0.40 -2.28 114.93 116.05 1cww h MET 59 Ca -0.05 0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1cww h MET 59 Cb 1.39 0.11 -0.05 0.00 0.06 0.00 0.00 31.60 33.11 1cww h MET 59 CO 0.15 -0.32 0.61 0.82 1.06 0.00 0.00 176.91 179.23 1cww h ILE 60 N -0.50 1.20 -0.68 -1.22 5.03 -1.57 -2.09 117.51 117.67 1cww h ILE 60 Ca -0.01 -0.42 0.15 0.00 -0.12 0.00 0.00 64.86 64.46 1cww h ILE 60 Cb 0.47 -0.13 -0.11 0.00 -3.03 0.00 0.00 36.82 34.01 1cww h ILE 60 CO -0.05 0.22 0.06 0.25 -0.68 0.00 0.00 178.15 177.96 1cww h LEU 61 N 1.23 -0.19 -3.91 1.44 6.46 -0.76 -1.56 115.31 118.01 1cww h LEU 61 Ca 0.35 0.16 -0.61 0.00 -0.12 0.00 0.00 57.88 57.66 1cww h LEU 61 Cb -0.08 0.26 -0.37 0.00 -0.73 0.00 0.00 40.66 39.74 1cww h LEU 61 CO -0.09 -0.10 -0.05 1.17 -0.62 0.00 0.00 178.44 178.75 1cww n LYS 62 N -5.25 3.20 -1.00 1.25 4.81 -0.96 -4.99 118.16 115.22 1cww n LYS 62 Ca 0.12 -3.79 0.00 0.00 -0.87 0.00 0.00 58.31 53.77 1cww n LYS 62 Cb 0.41 -2.28 0.00 0.00 0.02 0.00 0.00 35.03 33.18 1cww n LYS 62 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1cww n LYS 63 N -0.79 2.01 -3.55 1.64 4.81 -0.59 -5.02 118.16 116.68 1cww n LYS 63 Ca 0.52 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.77 1cww n LYS 63 Cb 0.81 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.85 1cww n LYS 63 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 1cww s ASP 64 N 0.00 5.75 0.50 3.14 1.47 -1.26 -3.07 116.67 123.19 1cww s ASP 64 Ca 0.00 -0.30 0.34 0.00 1.18 0.00 0.00 52.55 53.77 1cww s ASP 64 Cb 0.00 -1.12 1.62 0.00 -0.34 0.00 0.00 42.92 43.08 1cww s ASP 64 CO 0.00 -0.43 2.01 -0.55 0.68 0.00 0.00 175.17 176.89 1cww h ASN 65 N 0.99 0.00 -0.31 2.11 7.08 -1.80 -2.06 115.58 121.59 1cww h ASN 65 Ca -0.45 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 52.75 1cww h ASN 65 Cb 1.26 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.48 1cww h ASN 65 CO 0.54 0.00 0.13 0.44 -2.08 0.00 0.00 177.43 176.46 1cww h ASP 66 N 0.00 0.42 0.72 6.14 3.32 -1.94 0.21 116.42 125.30 1cww h ASP 66 Ca 0.00 -0.16 -0.08 0.00 0.02 0.00 0.00 57.03 56.80 1cww h ASP 66 Cb 0.23 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1cww h ASP 66 CO 0.00 0.47 -0.40 0.28 -1.72 0.00 0.00 179.24 177.87 1cww h SER 67 N 0.35 0.00 -0.45 6.45 0.02 -1.79 -2.23 113.55 115.90 1cww h SER 67 Ca 0.10 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.93 1cww h SER 67 Cb 0.18 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 1cww h SER 67 CO -0.01 0.40 -0.20 0.22 -1.14 0.00 0.00 176.83 176.10 1cww h TYR 68 N 0.00 1.08 0.00 3.45 3.20 -0.89 0.61 116.97 124.42 1cww h TYR 68 Ca -0.00 -0.26 -0.09 0.00 3.14 0.00 0.00 58.73 61.51 1cww h TYR 68 Cb 0.87 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 1cww h TYR 68 CO 0.00 1.07 -0.45 0.28 -1.64 0.00 0.00 178.16 177.42 1cww h VAL 69 N 0.78 1.19 0.04 1.81 2.07 -0.39 0.40 116.25 122.15 1cww h VAL 69 Ca 0.10 -1.59 -0.00 0.00 0.82 0.00 0.00 66.70 66.03 1cww h VAL 69 Cb 0.78 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1cww h VAL 69 CO 0.06 0.44 -0.02 -1.28 0.02 0.00 0.00 177.57 176.79 1cww h SER 70 N 0.00 -0.04 -0.82 0.57 0.87 -0.81 0.28 113.55 113.60 1cww h SER 70 Ca -0.00 -0.46 0.05 0.00 -1.23 0.00 0.00 61.79 60.15 1cww h SER 70 Cb 0.85 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.77 1cww h SER 70 CO 0.06 0.45 0.54 0.15 -0.53 0.00 0.00 176.83 177.49 1cww h PHE 71 N -0.55 0.93 0.09 2.24 3.57 0.46 0.22 116.94 123.90 1cww h PHE 71 Ca -0.01 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 1cww h PHE 71 Cb 0.50 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.93 1cww h PHE 71 CO 0.09 0.51 -0.04 -0.92 -2.23 0.00 0.00 178.31 175.72 1cww h TYR 72 N 0.94 -0.11 -0.59 0.41 3.20 -0.00 -1.70 116.97 119.11 1cww h TYR 72 Ca 0.34 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.23 1cww h TYR 72 Cb 0.16 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 1cww h TYR 72 CO -0.00 -0.05 0.39 -0.97 -1.64 0.00 0.00 178.16 175.89 1cww h ASN 73 N -0.14 0.65 -0.15 -2.11 -1.24 0.80 -1.51 115.58 111.87 1cww h ASN 73 Ca -0.01 -0.01 -0.08 0.00 0.71 0.00 0.00 56.30 56.90 1cww h ASN 73 Cb 0.11 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 38.99 1cww h ASN 73 CO 0.02 0.46 -0.16 0.00 -1.29 0.00 0.00 177.43 176.46 1cww h ALA 74 N 1.64 1.14 -0.31 1.57 0.00 -0.13 -0.86 119.26 122.32 1cww h ALA 74 Ca 0.22 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1cww h ALA 74 Cb -0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1cww h ALA 74 CO -0.05 0.54 -0.14 -0.07 0.00 0.00 0.00 179.25 179.53 1cww h LEU 75 N 0.50 0.52 -0.19 0.00 3.38 -0.38 -1.42 115.31 117.73 1cww h LEU 75 Ca 0.08 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1cww h LEU 75 Cb 0.57 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1cww h LEU 75 CO 0.04 0.69 0.00 -0.07 0.09 0.00 0.00 178.44 179.19 1cww h LEU 76 N 0.49 0.00 -0.34 1.67 4.07 -0.99 -2.15 115.31 118.06 1cww h LEU 76 Ca 0.09 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.86 1cww h LEU 76 Cb 0.53 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.26 1cww h LEU 76 CO 0.03 0.00 -0.83 0.45 -1.08 0.00 0.00 178.44 177.01 1cww h HIS 77 N 0.00 0.33 0.00 1.13 3.86 -0.08 -3.46 115.15 116.93 1cww h HIS 77 Ca 0.00 -0.17 0.00 0.00 -1.16 0.00 0.00 60.37 59.04 1cww h HIS 77 Cb 0.77 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.20 1cww h HIS 77 CO 0.00 0.95 0.00 0.39 0.86 0.00 0.00 177.93 180.13 1cww n GLU 78 N -3.71 2.89 -1.97 2.45 -0.58 -0.99 -5.03 120.64 113.70 1cww n GLU 78 Ca -0.04 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.42 1cww n GLU 78 Cb 0.77 0.00 0.03 0.00 -0.57 0.00 0.00 31.44 31.67 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 5.00 6.15 2.45 0.62 0.00 -1.25 -4.66 105.19 113.49 1cww n GLY 79 Ca 0.00 -2.60 -0.14 0.00 0.00 0.00 0.00 46.02 43.28 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 -0.69 2.11 0.61 1.61 4.01 -0.82 -4.79 117.16 119.20 1cww n TYR 80 Ca 0.48 -2.36 0.11 0.00 -0.16 0.00 0.00 57.90 55.96 1cww n TYR 80 Cb 0.78 -0.27 0.45 0.00 -0.31 0.00 0.00 39.34 39.99 1cww n TYR 80 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1cww n LYS 81 N -0.57 0.10 0.03 -0.72 5.02 -1.17 -2.64 118.16 118.21 1cww n LYS 81 Ca 0.26 0.23 -0.20 0.00 -2.02 0.00 0.00 58.31 56.58 1cww n LYS 81 Cb 0.85 -1.66 -0.14 0.00 -0.02 0.00 0.00 35.03 34.06 1cww n LYS 81 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1cww h ASP 82 N 0.00 0.42 -0.41 4.39 3.58 -1.90 -1.09 116.42 121.40 1cww h ASP 82 Ca 0.00 -0.93 -0.01 0.00 0.42 0.00 0.00 57.03 56.51 1cww h ASP 82 Cb 0.43 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.33 1cww h ASP 82 CO 0.00 1.41 0.20 0.25 -2.88 0.00 0.00 179.24 178.23 1cww h LEU 83 N -0.41 0.53 -1.66 2.28 7.12 -1.93 -1.20 115.31 120.04 1cww h LEU 83 Ca -0.17 -0.12 -0.03 0.00 0.13 0.00 0.00 57.88 57.69 1cww h LEU 83 Cb 1.62 -0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 41.61 1cww h LEU 83 CO 0.12 0.50 -0.11 0.00 -0.13 0.00 0.00 178.44 178.82 1cww h ALA 84 N 1.05 1.72 -0.40 1.25 0.00 -1.59 -1.29 119.26 120.00 1cww h ALA 84 Ca 0.14 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1cww h ALA 84 Cb 0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1cww h ALA 84 CO -0.02 0.21 -0.14 0.00 0.00 0.00 0.00 179.25 179.29 1cww h ALA 85 N 1.82 1.00 0.00 0.00 0.00 -0.06 0.45 119.26 122.47 1cww h ALA 85 Ca 0.02 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1cww h ALA 85 Cb 0.24 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1cww h ALA 85 CO 0.02 0.60 -0.08 -0.07 0.00 0.00 0.00 179.25 179.72 1cww h LEU 86 N 0.66 0.00 0.00 0.00 3.38 -0.25 -1.74 115.31 117.36 1cww h LEU 86 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1cww h LEU 86 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1cww h LEU 86 CO 0.04 0.08 -1.12 0.18 0.09 0.00 0.00 178.44 177.71 1cww n LEU 87 N -4.20 0.61 0.29 1.67 4.77 -0.44 -4.17 117.00 115.53 1cww n LEU 87 Ca -0.03 -0.12 0.19 0.00 -0.03 0.00 0.00 56.01 56.02 1cww n LEU 87 Cb 0.16 -0.07 0.97 0.00 -2.33 0.00 0.00 43.42 42.15 1cww n LEU 87 CO 0.33 0.09 1.16 -0.74 -1.33 0.00 0.00 177.39 176.89 1cww h HIS 88 N 0.00 0.00 -0.02 -1.77 2.76 0.80 0.31 115.15 117.22 1cww h HIS 88 Ca 0.00 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.06 1cww h HIS 88 Cb 0.70 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.65 1cww h HIS 88 CO 0.00 0.00 -0.51 0.22 -1.30 0.00 0.00 177.93 176.34 1cww h ASP 89 N 0.00 0.07 0.11 3.26 1.82 -1.73 -3.15 116.42 116.80 1cww h ASP 89 Ca 0.03 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1cww h ASP 89 Cb 0.33 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.33 1cww h ASP 89 CO -0.00 0.57 -1.80 0.61 -1.61 0.00 0.00 179.24 177.01 1cww n GLY 90 N -0.02 -1.05 3.62 -0.78 0.00 0.91 -4.91 105.19 102.95 1cww n GLY 90 Ca -0.02 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 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 -3.46 3.62 0.05 -0.61 -1.09 -0.21 -4.52 121.20 114.98 1cww s ILE 91 Ca -0.06 0.68 -0.15 0.00 -2.23 0.00 0.00 60.65 58.89 1cww s ILE 91 Cb 0.14 -3.67 -0.25 0.00 -1.58 0.00 0.00 42.46 37.10 1cww s ILE 91 CO 0.89 -0.31 1.14 -0.65 -1.23 0.00 0.00 174.94 174.78 1cww h PRO 92 N 11.25 0.63 -5.79 2.79 0.11 -1.91 -3.39 132.00 135.69 1cww h PRO 92 Ca -0.34 -0.72 -0.65 0.00 0.11 0.00 0.00 66.00 64.39 1cww h PRO 92 Cb 1.16 0.22 -0.10 0.00 0.11 0.00 0.00 31.00 32.38 1cww h PRO 92 CO 1.01 1.31 1.74 0.08 -0.21 0.00 0.00 178.00 181.92 1cww s VAL 93 N -3.19 4.18 -0.57 3.15 1.01 -1.26 -4.78 120.40 118.94 1cww s VAL 93 Ca -0.10 -1.51 -0.00 0.00 0.00 0.00 0.00 61.98 60.37 1cww s VAL 93 Cb 0.06 -5.08 0.47 0.00 0.00 0.00 0.00 36.38 31.82 1cww s VAL 93 CO 0.91 -1.91 1.99 1.33 0.00 0.00 0.00 175.10 177.41 1cww n VAL 94 N 6.35 3.41 -3.25 2.92 0.24 -1.26 -4.63 118.33 122.10 1cww n VAL 94 Ca 0.40 -2.52 -0.20 0.00 -2.04 0.00 0.00 64.34 59.98 1cww n VAL 94 Cb 0.48 -1.01 -0.07 0.00 -1.47 0.00 0.00 33.84 31.76 1cww n VAL 94 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1cww s SER 95 N -1.46 0.84 0.20 -1.34 0.01 -1.26 -5.13 113.70 105.56 1cww s SER 95 Ca 0.59 -2.40 -0.30 0.00 1.31 0.00 0.00 55.95 55.15 1cww s SER 95 Cb 0.47 0.29 -0.08 0.00 0.21 0.00 0.00 66.02 66.91 1cww s SER 95 CO 0.02 -0.17 0.95 -0.44 0.41 0.00 0.00 173.24 174.00 1cww s SER 96 N 0.60 7.60 0.00 2.44 0.01 -1.26 -5.26 113.70 117.83 1cww s SER 96 Ca 0.28 1.90 0.00 0.00 1.31 0.00 0.00 55.95 59.44 1cww s SER 96 Cb -0.03 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.60 1cww s SER 96 CO -0.11 0.08 0.00 -0.24 0.41 0.00 0.00 173.24 173.38