#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 3.31 -3.40 1.61 -0.04 -1.26 -4.79 135.00 130.43 1cww n PRO -4 Ca 0.00 -3.30 -0.26 0.00 -0.04 0.00 0.00 63.50 59.89 1cww n PRO -4 Cb 0.00 -3.12 -0.08 0.00 -0.04 0.00 0.00 33.50 30.26 1cww n PRO -4 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1cww n LEU -3 N 5.38 2.27 -0.00 1.53 -0.00 -1.26 -4.78 117.00 120.12 1cww n LEU -3 Ca 0.44 -5.11 0.00 0.00 -0.00 0.00 0.00 56.01 51.34 1cww n LEU -3 Cb 0.39 -0.18 0.00 0.00 -0.00 0.00 0.00 43.42 43.63 1cww n LEU -3 CO 0.80 2.02 0.00 0.61 -0.00 0.00 0.00 177.39 180.82 1cww n GLY -2 N 1.28 1.71 3.76 1.47 0.00 -1.26 -5.10 105.19 107.05 1cww n GLY -2 Ca 0.26 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 46.17 1cww n GLY -2 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1cww s SER -1 N -2.02 -0.00 0.96 1.61 0.15 -1.26 -4.73 113.70 108.41 1cww s SER -1 Ca 0.00 -0.97 -0.15 0.00 0.70 0.00 0.00 55.95 55.53 1cww s SER -1 Cb 0.00 0.75 0.18 0.00 -1.71 0.00 0.00 66.02 65.24 1cww s SER -1 CO 0.00 -1.46 1.24 0.00 1.20 0.00 0.00 173.24 174.22 1cww s MET 1 N -3.18 0.69 0.16 5.44 0.23 -1.26 -4.15 119.30 117.22 1cww s MET 1 Ca 0.16 -0.17 -0.30 0.00 -1.03 0.00 0.00 55.69 54.35 1cww s MET 1 Cb -0.04 -1.83 -0.08 0.00 -1.53 0.00 0.00 34.83 31.35 1cww s MET 1 CO 0.10 -2.42 1.32 0.34 -2.03 0.00 0.00 175.02 172.34 1cww s ASP 2 N -4.57 6.90 0.20 -1.18 -1.08 -1.26 -4.82 116.67 110.85 1cww s ASP 2 Ca 0.70 2.34 -0.11 0.00 -0.52 0.00 0.00 52.55 54.96 1cww s ASP 2 Cb -0.07 -2.60 0.13 0.00 -1.46 0.00 0.00 42.92 38.91 1cww s ASP 2 CO 0.53 -0.55 1.82 0.00 0.52 0.00 0.00 175.17 177.48 1cww h ALA 3 N 5.95 0.89 -0.32 3.66 0.00 -1.96 0.48 119.26 127.96 1cww h ALA 3 Ca -0.44 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.29 1cww h ALA 3 Cb 1.21 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1cww h ALA 3 CO 0.80 0.39 -0.15 -0.22 0.00 0.00 0.00 179.25 180.08 1cww h LYS 4 N 0.95 0.57 0.26 0.00 1.63 -1.96 0.22 116.57 118.25 1cww h LYS 4 Ca 0.25 -0.18 -0.01 0.00 -0.85 0.00 0.00 60.65 59.85 1cww h LYS 4 Cb 0.02 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.60 1cww h LYS 4 CO -0.04 0.70 -0.13 0.00 -3.45 0.00 0.00 179.45 176.54 1cww h ALA 5 N 1.32 -0.35 -0.88 5.00 0.00 -1.70 -1.64 119.26 121.01 1cww h ALA 5 Ca 0.09 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.85 1cww h ALA 5 Cb 0.56 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1cww h ALA 5 CO 0.04 -0.43 0.58 -0.09 0.00 0.00 0.00 179.25 179.34 1cww h ARG 6 N -0.89 1.03 0.01 0.00 1.12 0.01 -2.14 114.38 113.51 1cww h ARG 6 Ca -0.04 -0.06 -0.00 0.00 -1.11 0.00 0.00 59.98 58.77 1cww h ARG 6 Cb 0.51 -0.23 0.00 0.00 -0.01 0.00 0.00 29.97 30.24 1cww h ARG 6 CO 0.06 0.68 -0.00 -0.91 -3.11 0.00 0.00 179.97 176.69 1cww h ASN 7 N 1.06 -0.01 -0.31 -3.80 2.35 -0.62 -2.68 115.58 111.57 1cww h ASN 7 Ca 0.36 -0.54 0.09 0.00 -0.55 0.00 0.00 56.30 55.66 1cww h ASN 7 Cb 0.09 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1cww h ASN 7 CO -0.12 0.54 0.35 0.00 -1.65 0.00 0.00 177.43 176.55 1cww h LEU 9 N 0.00 -0.38 0.00 0.00 5.85 -1.19 -3.04 115.31 116.55 1cww h LEU 9 Ca 0.15 -0.17 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 1cww h LEU 9 Cb 0.85 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 1cww h LEU 9 CO -0.00 0.04 -0.55 -0.07 -0.34 0.00 0.00 178.44 177.52 1cww h LEU 10 N -0.88 0.00 -1.51 2.25 3.38 -0.83 -3.28 115.31 114.44 1cww h LEU 10 Ca -0.05 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1cww h LEU 10 Cb 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1cww h LEU 10 CO 0.07 0.36 -0.24 -0.61 0.09 0.00 0.00 178.44 178.11 1cww h GLN 11 N 0.00 0.00 -1.56 1.13 4.15 0.20 -2.34 115.11 116.70 1cww h GLN 11 Ca -0.02 0.00 -0.40 0.00 0.77 0.00 0.00 58.65 59.00 1cww h GLN 11 Cb 1.30 0.00 -0.16 0.00 0.21 0.00 0.00 27.48 28.82 1cww h GLN 11 CO 0.04 0.24 0.47 0.72 -1.93 0.00 0.00 178.83 178.37 1cww n HIS 12 N -3.87 1.74 0.25 3.99 8.25 -1.15 -4.52 115.22 119.92 1cww n HIS 12 Ca -0.02 -2.08 0.18 0.00 -0.26 0.00 0.00 57.72 55.54 1cww n HIS 12 Cb 0.33 -1.09 0.85 0.00 1.12 0.00 0.00 29.99 31.20 1cww n HIS 12 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 1cww h ARG 13 N 1.82 0.00 -0.09 -0.41 -0.00 -1.64 0.58 114.38 114.63 1cww h ARG 13 Ca 0.35 0.00 0.03 0.00 -0.00 0.00 0.00 59.98 60.35 1cww h ARG 13 Cb 0.86 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.83 1cww h ARG 13 CO 0.88 0.00 0.07 1.49 -0.00 0.00 0.00 179.97 182.41 1cww h GLU 14 N 0.00 0.00 -0.00 0.08 4.81 -1.88 -2.49 114.58 115.09 1cww h GLU 14 Ca 0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1cww h GLU 14 Cb 0.65 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.03 1cww h GLU 14 CO -0.00 0.00 -0.00 0.00 -0.73 0.00 0.00 179.01 178.28 1cww n ALA 15 N -2.51 2.10 -1.00 2.92 0.00 0.11 -4.67 120.51 117.46 1cww n ALA 15 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1cww n ALA 15 Cb 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.63 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 -0.82 0.00 0.27 0.00 7.94 0.16 -0.02 117.00 124.54 1cww n LEU 16 Ca 0.00 0.14 0.17 0.00 -1.11 0.00 0.00 56.01 55.21 1cww n LEU 16 Cb 0.00 0.00 0.92 0.00 0.53 0.00 0.00 43.42 44.87 1cww n LEU 16 CO 0.00 0.00 1.14 -0.08 -1.11 0.00 0.00 177.39 177.35 1cww h GLU 17 N 0.00 0.00 -0.05 1.96 4.81 -1.87 0.64 114.58 120.07 1cww h GLU 17 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1cww h GLU 17 Cb 0.00 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1cww h GLU 17 CO 0.00 0.00 -0.03 0.87 -0.73 0.00 0.00 179.01 179.12 1cww h LYS 18 N 0.00 0.10 0.00 1.92 6.56 -1.79 -3.38 116.57 119.98 1cww h LYS 18 Ca 0.04 -0.05 -0.07 0.00 -1.06 0.00 0.00 60.65 59.51 1cww h LYS 18 Cb 0.24 -0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.88 1cww h LYS 18 CO -0.00 0.50 -1.71 -0.25 -2.06 0.00 0.00 179.45 175.93 1cww n ASP 19 N -4.80 1.84 -4.55 0.86 8.00 0.98 -4.88 116.55 113.99 1cww n ASP 19 Ca -0.07 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.11 1cww n ASP 19 Cb 0.25 1.38 -0.04 0.00 -0.02 0.00 0.00 41.12 42.69 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 -2.76 3.35 0.42 0.53 1.01 0.22 -4.94 121.20 119.02 1cww s ILE 20 Ca -0.05 -0.07 -0.21 0.00 0.00 0.00 0.00 60.65 60.31 1cww s ILE 20 Cb 0.07 -3.84 -0.11 0.00 0.01 0.00 0.00 42.46 38.59 1cww s ILE 20 CO 0.56 -0.80 0.95 -0.75 0.00 0.00 0.00 174.94 174.90 1cww s LYS 21 N 7.24 4.27 -0.07 2.79 2.20 -1.26 -4.78 119.74 130.13 1cww s LYS 21 Ca 0.72 1.14 -0.08 0.00 -0.36 0.00 0.00 55.97 57.39 1cww s LYS 21 Cb -0.10 -2.24 -0.03 0.00 -1.51 0.00 0.00 37.83 33.95 1cww s LYS 21 CO 0.11 0.00 -0.16 -2.37 -0.36 0.00 0.00 175.35 172.58 1cww n THR 22 N -0.52 0.80 0.00 3.43 5.66 -1.26 -4.51 114.28 117.88 1cww n THR 22 Ca 0.06 0.29 0.00 0.00 -3.05 0.00 0.00 64.05 61.35 1cww n THR 22 Cb 0.54 -1.85 0.00 0.00 -1.55 0.00 0.00 70.33 67.47 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 -3.48 0.00 -0.05 1.09 7.64 -1.26 -0.24 113.62 117.33 1cww n SER 23 Ca -0.06 0.46 -0.07 0.00 1.01 0.00 0.00 58.87 60.20 1cww n SER 23 Cb 0.23 -0.08 0.11 0.00 -1.01 0.00 0.00 64.21 63.46 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 0.77 -0.93 1.43 -1.99 -1.99 -2.04 116.97 112.22 1cww h TYR 24 Ca 0.00 -0.19 -0.00 0.00 2.00 0.00 0.00 58.73 60.54 1cww h TYR 24 Cb 0.00 -0.18 -0.05 0.00 2.00 0.00 0.00 36.73 38.51 1cww h TYR 24 CO -0.16 0.88 0.58 0.82 -0.00 0.00 0.00 178.16 180.29 1cww h ILE 25 N 0.57 1.25 0.00 -2.88 2.04 -1.74 -0.94 117.51 115.81 1cww h ILE 25 Ca 0.07 -0.51 -0.12 0.00 1.00 0.00 0.00 64.86 65.30 1cww h ILE 25 Cb 0.78 -0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 1cww h ILE 25 CO 0.06 0.26 -0.55 -0.03 0.00 0.00 0.00 178.15 177.89 1cww h MET 26 N 1.28 0.00 -0.39 2.37 4.05 -0.50 -2.82 114.93 118.92 1cww h MET 26 Ca 0.34 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.71 1cww h MET 26 Cb -0.09 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.69 1cww h MET 26 CO -0.07 0.55 0.04 0.22 0.23 0.00 0.00 176.91 177.88 1cww h ASP 27 N 0.00 0.56 0.42 1.39 1.82 -0.43 -0.75 116.42 119.42 1cww h ASP 27 Ca -0.01 -0.10 -0.19 0.00 -0.39 0.00 0.00 57.03 56.35 1cww h ASP 27 Cb 1.08 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.94 1cww h ASP 27 CO 0.07 0.60 -0.79 0.45 -1.61 0.00 0.00 179.24 177.97 1cww h HIS 28 N 0.57 0.40 -0.27 0.28 3.86 -1.31 -2.01 115.15 116.68 1cww h HIS 28 Ca 0.13 -0.19 -0.11 0.00 -1.16 0.00 0.00 60.37 59.03 1cww h HIS 28 Cb 0.31 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 1cww h HIS 28 CO 0.01 0.96 -0.30 0.52 0.86 0.00 0.00 177.93 179.98 1cww h MET 29 N 0.18 0.56 0.01 2.45 2.86 -1.09 -1.34 114.93 118.56 1cww h MET 29 Ca -0.04 -0.24 -0.19 0.00 -2.06 0.00 0.00 59.70 57.17 1cww h MET 29 Cb 1.38 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 33.00 1cww h MET 29 CO 0.13 0.80 -0.90 0.82 1.06 0.00 0.00 176.91 178.81 1cww h ILE 30 N 0.48 1.58 0.00 -1.22 2.04 -1.15 -2.53 117.51 116.71 1cww h ILE 30 Ca 0.06 -2.88 -0.04 0.00 1.00 0.00 0.00 64.86 63.00 1cww h ILE 30 Cb 0.76 2.59 -0.01 0.00 -0.74 0.00 0.00 36.82 39.43 1cww h ILE 30 CO 0.06 0.83 -0.17 -1.28 0.00 0.00 0.00 178.15 177.59 1cww h SER 31 N 0.04 0.00 1.38 1.72 0.87 -1.05 -0.25 113.55 116.26 1cww h SER 31 Ca -0.03 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.42 1cww h SER 31 Cb 1.56 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.51 1cww h SER 31 CO 0.13 0.17 -0.54 0.44 -0.53 0.00 0.00 176.83 176.50 1cww h ASP 32 N 0.00 0.00 0.00 6.23 3.32 -0.92 -3.47 116.42 121.58 1cww h ASP 32 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1cww h ASP 32 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1cww h ASP 32 CO 0.02 0.54 0.00 0.61 -1.72 0.00 0.00 179.24 178.69 1cww n GLY 33 N 1.14 0.76 0.13 2.75 0.00 -0.11 -4.94 105.19 104.92 1cww n GLY 33 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 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 0.63 -3.41 1.61 -1.00 -1.71 -3.43 116.94 109.63 1cww h PHE 34 Ca 0.00 -0.43 -0.60 0.00 2.81 0.00 0.00 57.97 59.75 1cww h PHE 34 Cb 0.00 -0.04 -0.12 0.00 3.61 0.00 0.00 35.95 39.40 1cww h PHE 34 CO 0.00 1.31 -0.39 -0.51 -1.61 0.00 0.00 178.31 177.11 1cww s LEU 35 N -7.38 4.18 0.80 1.54 1.43 -1.19 -5.02 118.68 113.03 1cww s LEU 35 Ca -0.05 0.33 -0.06 0.00 -1.03 0.00 0.00 54.13 53.32 1cww s LEU 35 Cb 0.07 -2.26 0.14 0.00 0.03 0.00 0.00 46.19 44.17 1cww s LEU 35 CO 0.89 0.07 1.10 -0.89 0.23 0.00 0.00 176.35 177.75 1cww s THR 36 N 0.80 2.11 0.31 5.49 2.01 -1.26 -4.54 115.64 120.56 1cww s THR 36 Ca 0.13 -0.38 0.02 0.00 0.31 0.00 0.00 61.69 61.77 1cww s THR 36 Cb -0.13 -2.73 0.29 0.00 0.01 0.00 0.00 72.50 69.93 1cww s THR 36 CO 0.04 0.00 1.90 0.40 -0.69 0.00 0.00 174.62 176.27 1cww h ILE 37 N -0.89 1.02 -0.45 1.82 5.03 -1.98 0.16 117.51 122.22 1cww h ILE 37 Ca -0.40 -0.33 -0.06 0.00 -0.12 0.00 0.00 64.86 63.95 1cww h ILE 37 Cb 1.26 -0.02 -0.02 0.00 -3.03 0.00 0.00 36.82 35.01 1cww h ILE 37 CO 0.41 0.18 0.04 0.28 -0.68 0.00 0.00 178.15 178.38 1cww h SER 38 N 0.96 0.75 -0.07 1.72 0.02 -1.99 0.21 113.55 115.15 1cww h SER 38 Ca 0.40 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1cww h SER 38 Cb 0.29 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1cww h SER 38 CO -0.16 0.84 0.04 -0.33 -1.14 0.00 0.00 176.83 176.08 1cww h GLU 39 N 0.63 0.08 -0.15 3.45 3.07 -1.60 -2.53 114.58 117.52 1cww h GLU 39 Ca 0.13 -0.00 0.01 0.00 -0.50 0.00 0.00 59.36 59.00 1cww h GLU 39 Cb 0.44 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.31 1cww h GLU 39 CO 0.02 0.05 0.06 1.49 -1.40 0.00 0.00 179.01 179.23 1cww h GLU 40 N 0.08 0.14 -0.26 2.33 4.81 -0.53 -3.00 114.58 118.16 1cww h GLU 40 Ca 0.03 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.31 1cww h GLU 40 Cb 0.00 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.28 1cww h GLU 40 CO -0.02 0.09 -0.24 1.49 -0.73 0.00 0.00 179.01 179.60 1cww h GLU 41 N 0.15 -0.23 -0.02 1.92 4.81 -0.36 -0.67 114.58 120.18 1cww h GLU 41 Ca 0.06 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1cww h GLU 41 Cb 0.02 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 1cww h GLU 41 CO -0.05 -0.16 0.01 -0.22 -0.73 0.00 0.00 179.01 177.86 1cww h LYS 42 N -0.24 0.02 -0.66 1.92 1.63 -1.44 0.26 116.57 118.06 1cww h LYS 42 Ca 0.14 -0.00 0.03 0.00 -0.85 0.00 0.00 60.65 59.96 1cww h LYS 42 Cb 0.46 -0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.05 1cww h LYS 42 CO -0.40 0.15 0.42 0.28 -3.45 0.00 0.00 179.45 176.45 1cww h VAL 43 N -0.11 1.10 0.00 2.00 2.07 -1.39 -1.63 116.25 118.29 1cww h VAL 43 Ca 0.01 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 1cww h VAL 43 Cb 0.14 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1cww h VAL 43 CO -0.00 0.15 -0.23 0.03 0.02 0.00 0.00 177.57 177.54 1cww h ARG 44 N 0.82 0.00 -0.25 1.57 3.08 -1.03 -3.27 114.38 115.30 1cww h ARG 44 Ca 0.26 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.30 1cww h ARG 44 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1cww h ARG 44 CO -0.10 0.23 0.11 -0.91 -1.07 0.00 0.00 179.97 178.24 1cww h ASN 45 N 0.00 0.34 -3.27 7.04 -0.26 0.51 -3.44 115.58 116.50 1cww h ASN 45 Ca -0.00 -0.14 -0.57 0.00 -0.56 0.00 0.00 56.30 55.02 1cww h ASN 45 Cb 0.92 -0.09 0.13 0.00 -1.06 0.00 0.00 38.32 38.23 1cww h ASN 45 CO 0.03 0.38 0.29 -0.62 -1.06 0.00 0.00 177.43 176.46 1cww n GLU 46 N -4.80 1.55 0.11 0.81 -0.58 -1.09 -4.94 120.64 111.70 1cww n GLU 46 Ca -0.03 0.55 0.12 0.00 -0.42 0.00 0.00 57.16 57.38 1cww n GLU 46 Cb 0.11 -2.18 0.02 0.00 -0.57 0.00 0.00 31.44 28.82 1cww n GLU 46 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1cww h PRO 47 N 1.69 0.00 -4.71 3.49 0.14 -1.90 -3.45 132.00 127.25 1cww h PRO 47 Ca -0.46 0.00 -0.27 0.00 0.14 0.00 0.00 66.00 65.41 1cww h PRO 47 Cb 1.32 0.00 -0.15 0.00 0.14 0.00 0.00 31.00 32.32 1cww h PRO 47 CO 0.58 0.00 -0.64 0.95 0.14 0.00 0.00 178.00 179.02 1cww s THR 48 N -3.34 0.44 0.62 1.56 -4.23 -1.26 -5.00 115.64 104.43 1cww s THR 48 Ca 0.00 -1.97 0.29 0.00 -1.18 0.00 0.00 61.69 58.83 1cww s THR 48 Cb 0.09 -2.27 0.34 0.00 1.34 0.00 0.00 72.50 72.00 1cww s THR 48 CO 0.78 -0.31 1.90 -0.61 -0.54 0.00 0.00 174.62 175.85 1cww h GLN 49 N 2.65 0.00 0.00 3.99 4.15 -1.95 -0.69 115.11 123.26 1cww h GLN 49 Ca -0.37 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.05 1cww h GLN 49 Cb 1.22 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.91 1cww h GLN 49 CO 0.60 0.00 0.00 0.94 -1.93 0.00 0.00 178.83 178.44 1cww n GLN 50 N -3.34 0.00 0.00 1.69 7.27 -1.26 -0.31 117.38 121.43 1cww n GLN 50 Ca 0.03 0.36 0.12 0.00 0.07 0.00 0.00 57.00 57.58 1cww n GLN 50 Cb 0.53 -0.78 0.19 0.00 2.41 0.00 0.00 30.24 32.58 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 -0.78 1.52 0.17 3.69 6.02 -1.18 -2.66 117.38 124.16 1cww n GLN 51 Ca 0.00 -1.15 -0.11 0.00 -0.01 0.00 0.00 57.00 55.73 1cww n GLN 51 Cb 0.00 -1.48 -0.06 0.00 1.02 0.00 0.00 30.24 29.72 1cww n GLN 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1cww h ARG 52 N 2.81 -0.46 -0.32 -1.09 3.08 -0.88 0.35 114.38 117.87 1cww h ARG 52 Ca 0.00 0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.00 1cww h ARG 52 Cb 0.73 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 1cww h ARG 52 CO 0.00 -0.16 -0.12 0.00 -1.07 0.00 0.00 179.97 178.61 1cww h ALA 53 N -0.71 0.45 -0.50 0.04 0.00 -0.83 -2.54 119.26 115.17 1cww h ALA 53 Ca -0.05 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.58 1cww h ALA 53 Cb 0.51 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1cww h ALA 53 CO 0.08 0.33 0.33 0.00 0.00 0.00 0.00 179.25 179.99 1cww h ALA 54 N 0.78 1.82 -0.27 0.00 0.00 -1.52 0.31 119.26 120.38 1cww h ALA 54 Ca 0.08 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 1cww h ALA 54 Cb 0.64 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1cww h ALA 54 CO 0.04 0.11 -0.51 1.98 0.00 0.00 0.00 179.25 180.88 1cww h MET 55 N 0.52 0.77 0.09 0.00 -1.53 -0.04 0.40 114.93 115.13 1cww h MET 55 Ca 0.21 -0.46 -0.00 0.00 -3.44 0.00 0.00 59.70 56.00 1cww h MET 55 Cb 0.18 0.04 0.00 0.00 -0.55 0.00 0.00 31.60 31.28 1cww h MET 55 CO -0.05 1.09 -0.04 1.25 0.14 0.00 0.00 176.91 179.29 1cww h LEU 56 N 0.60 -0.10 -1.25 3.39 5.85 -0.90 -1.52 115.31 121.38 1cww h LEU 56 Ca 0.02 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.43 1cww h LEU 56 Cb 1.08 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 1cww h LEU 56 CO 0.11 0.19 -0.23 0.40 -0.34 0.00 0.00 178.44 178.57 1cww h ILE 57 N -0.40 1.22 -0.64 4.05 2.04 -0.97 -2.64 117.51 120.17 1cww h ILE 57 Ca -0.01 -1.04 -0.08 0.00 1.00 0.00 0.00 64.86 64.72 1cww h ILE 57 Cb 0.34 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 1cww h ILE 57 CO 0.02 0.32 0.08 0.50 0.00 0.00 0.00 178.15 179.07 1cww h LYS 58 N 0.20 1.07 -0.12 2.37 3.64 -0.03 -0.96 116.57 122.75 1cww h LYS 58 Ca 0.03 -0.29 -0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1cww h LYS 58 Cb 0.53 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1cww h LYS 58 CO 0.04 1.00 0.08 0.52 -2.27 0.00 0.00 179.45 178.81 1cww h MET 59 N 1.00 0.16 0.00 1.90 2.86 -0.92 -1.43 114.93 118.50 1cww h MET 59 Ca 0.19 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1cww h MET 59 Cb 0.46 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.09 1cww h MET 59 CO 0.02 0.14 0.00 0.82 1.06 0.00 0.00 176.91 178.95 1cww h ILE 60 N 0.14 0.00 0.00 -1.22 1.08 -1.25 -1.13 117.51 115.13 1cww h ILE 60 Ca 0.04 -0.15 -0.02 0.00 -0.39 0.00 0.00 64.86 64.34 1cww h ILE 60 Cb 0.02 1.08 -0.00 0.00 -3.07 0.00 0.00 36.82 34.84 1cww h ILE 60 CO -0.01 0.00 -0.11 0.25 -0.69 0.00 0.00 178.15 177.59 1cww h LEU 61 N 0.00 0.00 -5.02 1.44 6.46 -0.04 -3.33 115.31 114.82 1cww h LEU 61 Ca 0.00 0.00 -0.33 0.00 -0.12 0.00 0.00 57.88 57.43 1cww h LEU 61 Cb 0.16 0.00 -0.36 0.00 -0.73 0.00 0.00 40.66 39.74 1cww h LEU 61 CO 0.00 0.11 -1.04 1.17 -0.62 0.00 0.00 178.44 178.06 1cww n LYS 62 N -3.24 1.18 0.00 1.25 4.81 -0.46 -5.05 118.16 116.66 1cww n LYS 62 Ca 0.01 -3.00 0.00 0.00 -0.87 0.00 0.00 58.31 54.45 1cww n LYS 62 Cb 0.38 -1.04 0.00 0.00 0.02 0.00 0.00 35.03 34.39 1cww n LYS 62 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1cww n LYS 63 N -0.20 0.00 -3.60 1.64 4.76 -1.02 -5.03 118.16 114.71 1cww n LYS 63 Ca 0.07 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.41 1cww n LYS 63 Cb 0.82 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 34.00 1cww n LYS 63 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1cww s ASP 64 N 0.52 -0.41 0.57 4.39 2.15 -1.26 -4.17 116.67 118.47 1cww s ASP 64 Ca 0.00 -0.23 0.27 0.00 0.43 0.00 0.00 52.55 53.01 1cww s ASP 64 Cb 0.00 0.60 1.69 0.00 -0.30 0.00 0.00 42.92 44.92 1cww s ASP 64 CO 0.00 -1.04 2.23 -0.55 -0.17 0.00 0.00 175.17 175.64 1cww h ASN 65 N 2.00 0.00 0.26 -0.34 7.08 -1.88 0.21 115.58 122.90 1cww h ASN 65 Ca -0.27 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 52.94 1cww h ASN 65 Cb 1.27 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.52 1cww h ASN 65 CO 0.31 0.00 -0.12 -0.78 -2.08 0.00 0.00 177.43 174.76 1cww h ASP 66 N 0.00 -0.29 0.80 6.14 3.58 -1.95 0.49 116.42 125.19 1cww h ASP 66 Ca 0.00 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.33 1cww h ASP 66 Cb 0.02 0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 1cww h ASP 66 CO -0.00 -0.20 -0.58 0.28 -2.88 0.00 0.00 179.24 175.86 1cww h SER 67 N -0.35 0.00 -0.54 2.28 0.02 -1.77 -2.56 113.55 110.62 1cww h SER 67 Ca -0.04 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.80 1cww h SER 67 Cb 0.27 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 1cww h SER 67 CO 0.06 0.58 -0.12 0.22 -1.14 0.00 0.00 176.83 176.43 1cww h TYR 68 N 0.00 1.16 0.00 3.45 3.20 -0.19 0.68 116.97 125.28 1cww h TYR 68 Ca -0.01 -0.25 -0.10 0.00 3.14 0.00 0.00 58.73 61.52 1cww h TYR 68 Cb 1.14 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 1cww h TYR 68 CO 0.00 1.08 -0.49 0.28 -1.64 0.00 0.00 178.16 177.39 1cww h VAL 69 N 0.92 1.27 -0.05 1.81 2.07 0.05 0.28 116.25 122.60 1cww h VAL 69 Ca 0.14 -1.73 -0.02 0.00 0.82 0.00 0.00 66.70 65.92 1cww h VAL 69 Cb 0.69 1.95 -0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1cww h VAL 69 CO 0.05 0.48 -0.03 -1.28 0.02 0.00 0.00 177.57 176.81 1cww h SER 70 N 0.00 0.11 -0.82 0.57 0.87 -0.95 0.28 113.55 113.60 1cww h SER 70 Ca -0.00 -0.45 0.05 0.00 -1.23 0.00 0.00 61.79 60.15 1cww h SER 70 Cb 0.91 -0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 62.79 1cww h SER 70 CO 0.06 0.54 0.54 0.15 -0.53 0.00 0.00 176.83 177.59 1cww h PHE 71 N -0.32 0.95 -0.21 2.24 3.57 0.65 0.20 116.94 124.02 1cww h PHE 71 Ca 0.01 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1cww h PHE 71 Cb 0.50 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 1cww h PHE 71 CO 0.08 0.52 0.13 -0.92 -2.23 0.00 0.00 178.31 175.90 1cww h TYR 72 N 0.96 0.27 -0.95 0.41 3.20 -0.19 -1.90 116.97 118.76 1cww h TYR 72 Ca 0.34 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.22 1cww h TYR 72 Cb 0.14 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.27 1cww h TYR 72 CO -0.00 0.19 0.61 -0.97 -1.64 0.00 0.00 178.16 176.35 1cww h ASN 73 N 0.26 1.12 -0.08 -2.11 -0.73 0.10 -1.71 115.58 112.43 1cww h ASN 73 Ca 0.08 -0.04 -0.04 0.00 1.87 0.00 0.00 56.30 58.16 1cww h ASN 73 Cb -0.00 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 38.29 1cww h ASN 73 CO -0.02 0.83 -0.04 0.00 -0.37 0.00 0.00 177.43 177.83 1cww h ALA 74 N 1.34 1.56 -0.61 1.57 0.00 -0.23 -1.58 119.26 121.31 1cww h ALA 74 Ca 0.35 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1cww h ALA 74 Cb -0.11 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1cww h ALA 74 CO -0.07 0.32 0.17 -0.07 0.00 0.00 0.00 179.25 179.60 1cww h LEU 75 N 0.29 0.89 -1.65 0.00 3.38 -0.53 -1.04 115.31 116.66 1cww h LEU 75 Ca 0.07 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1cww h LEU 75 Cb 0.27 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1cww h LEU 75 CO 0.01 0.88 0.00 -0.07 0.09 0.00 0.00 178.44 179.35 1cww h LEU 76 N 0.87 0.00 0.14 1.67 4.07 -1.06 0.68 115.31 121.68 1cww h LEU 76 Ca 0.19 0.00 -0.29 0.00 0.08 0.00 0.00 57.88 57.87 1cww h LEU 76 Cb 0.31 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.06 1cww h LEU 76 CO -0.00 0.00 -1.28 0.45 -1.08 0.00 0.00 178.44 176.53 1cww h HIS 77 N 0.00 0.61 -0.89 1.13 3.86 -0.31 -3.32 115.15 116.23 1cww h HIS 77 Ca 0.00 -0.44 -0.61 0.00 -1.16 0.00 0.00 60.37 58.17 1cww h HIS 77 Cb 0.41 -0.03 -0.32 0.00 1.06 0.00 0.00 27.41 28.53 1cww h HIS 77 CO 0.00 1.34 0.34 0.39 0.86 0.00 0.00 177.93 180.85 1cww n GLU 78 N -3.58 2.88 -3.29 2.45 -0.58 -0.78 -4.92 120.64 112.81 1cww n GLU 78 Ca -0.10 -3.52 -0.23 0.00 -0.42 0.00 0.00 57.16 52.89 1cww n GLU 78 Cb 1.03 -2.26 0.05 0.00 -0.57 0.00 0.00 31.44 29.70 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 -0.89 -0.54 2.90 0.62 0.00 -1.15 -4.95 105.19 101.20 1cww n GLY 79 Ca 0.56 0.19 -0.27 0.00 0.00 0.00 0.00 46.02 46.50 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 -4.74 4.00 0.42 1.61 4.01 0.24 -4.81 117.16 117.90 1cww n TYR 80 Ca -0.06 -3.93 0.13 0.00 -0.16 0.00 0.00 57.90 53.88 1cww n TYR 80 Cb 0.59 -0.46 0.37 0.00 -0.31 0.00 0.00 39.34 39.54 1cww n TYR 80 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1cww h LYS 81 N 2.95 0.00 0.11 -0.72 1.57 -1.90 -2.88 116.57 115.69 1cww h LYS 81 Ca 0.14 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.75 1cww h LYS 81 Cb 0.53 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.86 1cww h LYS 81 CO 0.82 0.00 -0.72 -0.44 -0.57 0.00 0.00 179.45 178.54 1cww h ASP 82 N 0.00 0.45 -0.38 0.86 3.32 -1.95 -0.25 116.42 118.47 1cww h ASP 82 Ca 0.00 -0.92 -0.03 0.00 0.02 0.00 0.00 57.03 56.10 1cww h ASP 82 Cb 0.75 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 1cww h ASP 82 CO 0.00 1.34 0.13 0.25 -1.72 0.00 0.00 179.24 179.23 1cww h LEU 83 N -0.37 0.54 -1.23 1.55 7.12 -1.96 -1.57 115.31 119.38 1cww h LEU 83 Ca -0.12 -0.19 -0.01 0.00 0.13 0.00 0.00 57.88 57.69 1cww h LEU 83 Cb 1.54 -0.14 -0.03 0.00 -0.53 0.00 0.00 40.66 41.50 1cww h LEU 83 CO 0.14 0.58 0.35 0.00 -0.13 0.00 0.00 178.44 179.39 1cww h ALA 84 N 0.97 1.41 -0.34 1.25 0.00 -1.59 -1.55 119.26 119.42 1cww h ALA 84 Ca 0.12 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1cww h ALA 84 Cb 0.23 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1cww h ALA 84 CO -0.01 0.49 -0.00 0.00 0.00 0.00 0.00 179.25 179.73 1cww h ALA 85 N 1.50 1.37 0.00 0.00 0.00 -0.43 0.28 119.26 121.97 1cww h ALA 85 Ca 0.23 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1cww h ALA 85 Cb 0.02 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1cww h ALA 85 CO -0.04 0.44 -0.00 -0.07 0.00 0.00 0.00 179.25 179.58 1cww h LEU 86 N 0.50 0.00 0.00 0.00 3.38 -0.31 -2.03 115.31 116.85 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 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1cww h LEU 86 CO 0.01 0.00 -0.63 0.18 0.09 0.00 0.00 178.44 178.10 1cww n LEU 87 N -3.11 0.54 0.23 1.67 4.32 -0.18 -4.53 117.00 115.94 1cww n LEU 87 Ca -0.02 -0.47 0.14 0.00 -0.02 0.00 0.00 56.01 55.64 1cww n LEU 87 Cb 0.16 0.00 0.79 0.00 -1.62 0.00 0.00 43.42 42.75 1cww n LEU 87 CO 0.23 0.13 1.12 -0.74 -1.22 0.00 0.00 177.39 176.92 1cww h HIS 88 N 0.00 0.00 0.00 -1.77 2.76 0.25 0.17 115.15 116.56 1cww h HIS 88 Ca 0.00 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 1cww h HIS 88 Cb 0.30 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.26 1cww h HIS 88 CO 0.00 0.00 -0.09 -0.44 -1.30 0.00 0.00 177.93 176.10 1cww h ASP 89 N 0.00 0.00 0.09 3.26 3.32 -1.80 -2.54 116.42 118.75 1cww h ASP 89 Ca 0.05 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.97 1cww h ASP 89 Cb 0.23 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1cww h ASP 89 CO -0.00 0.09 -2.04 0.61 -1.72 0.00 0.00 179.24 176.18 1cww n GLY 90 N -0.38 -1.03 3.67 2.75 0.00 0.49 -4.90 105.19 105.79 1cww n GLY 90 Ca -0.01 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 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 -3.14 4.15 0.52 -0.61 -1.09 -0.55 -4.67 121.20 115.81 1cww s ILE 91 Ca -0.08 1.42 0.17 0.00 -2.23 0.00 0.00 60.65 59.94 1cww s ILE 91 Cb 0.11 -3.92 0.29 0.00 -1.58 0.00 0.00 42.46 37.36 1cww s ILE 91 CO 0.87 -0.09 2.13 -0.65 -1.23 0.00 0.00 174.94 175.97 1cww h PRO 92 N 8.15 0.00 -6.29 2.79 0.11 -1.91 -3.38 132.00 131.48 1cww h PRO 92 Ca -0.30 -0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.24 1cww h PRO 92 Cb 1.13 -0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.15 1cww h PRO 92 CO 0.94 0.00 0.90 0.08 -0.21 0.00 0.00 178.00 179.71 1cww s VAL 93 N -5.06 4.01 -0.64 3.15 1.01 -1.26 -4.93 120.40 116.68 1cww s VAL 93 Ca -0.05 0.53 0.05 0.00 0.00 0.00 0.00 61.98 62.51 1cww s VAL 93 Cb 0.17 -4.76 0.20 0.00 0.00 0.00 0.00 36.38 32.00 1cww s VAL 93 CO 0.68 -1.49 0.56 0.55 0.00 0.00 0.00 175.10 175.41 1cww n VAL 94 N 6.43 1.47 -3.69 2.92 3.14 -1.26 -5.05 118.33 122.30 1cww n VAL 94 Ca 0.04 -4.80 -0.05 0.00 -2.96 0.00 0.00 64.34 56.57 1cww n VAL 94 Cb 0.48 -2.10 -0.02 0.00 -1.06 0.00 0.00 33.84 31.15 1cww n VAL 94 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1cww s SER 95 N -1.64 -0.24 0.87 6.55 0.15 -1.26 -5.18 113.70 112.95 1cww s SER 95 Ca 0.31 -0.30 -0.02 0.00 0.70 0.00 0.00 55.95 56.64 1cww s SER 95 Cb 0.04 0.48 0.03 0.00 -1.71 0.00 0.00 66.02 64.86 1cww s SER 95 CO -0.12 -0.86 0.19 -0.24 1.20 0.00 0.00 173.24 173.42 1cww n SER 96 N -0.41 0.06 0.00 5.45 2.88 -1.26 -5.26 113.62 115.08 1cww n SER 96 Ca -0.07 -1.10 0.00 0.00 -1.33 0.00 0.00 58.87 56.37 1cww n SER 96 Cb 0.61 -0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1cww n SER 96 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27