#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cww h PRO -4 N 0.00 0.30 0.11 1.61 0.11 -1.99 -3.17 132.00 128.96 1cww h PRO -4 Ca 0.00 -0.14 -0.27 0.00 0.11 0.00 0.00 66.00 65.70 1cww h PRO -4 Cb 0.00 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.10 1cww h PRO -4 CO 0.00 0.64 -1.27 -0.07 -0.21 0.00 0.00 178.00 177.09 1cww h LEU -3 N 0.25 0.35 0.00 2.35 -0.00 -2.07 -3.48 115.31 112.71 1cww h LEU -3 Ca 0.03 -0.40 0.00 0.00 -0.00 0.00 0.00 57.88 57.51 1cww h LEU -3 Cb 0.79 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.34 1cww h LEU -3 CO 0.06 1.32 0.00 0.61 -0.00 0.00 0.00 178.44 180.43 1cww n GLY -2 N 1.53 3.19 0.00 0.83 0.00 -1.20 -5.19 105.19 104.35 1cww n GLY -2 Ca -0.09 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1cww n GLY -2 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cww n SER -1 N 0.00 0.00 -4.94 1.61 3.41 -1.26 -4.93 113.62 107.51 1cww n SER -1 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.36 1cww n SER -1 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1cww n SER -1 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1cww s MET 1 N 1.44 3.40 0.10 4.33 1.75 -1.07 -0.90 119.30 128.34 1cww s MET 1 Ca 0.00 -0.65 -0.30 0.00 -1.25 0.00 0.00 55.69 53.49 1cww s MET 1 Cb 0.00 -2.93 -0.06 0.00 2.84 0.00 0.00 34.83 34.69 1cww s MET 1 CO 0.00 0.50 1.11 0.34 -0.65 0.00 0.00 175.02 176.32 1cww s ASP 2 N -3.37 7.23 0.16 1.11 -1.08 -1.26 -4.33 116.67 115.13 1cww s ASP 2 Ca 0.34 1.96 -0.16 0.00 -0.52 0.00 0.00 52.55 54.18 1cww s ASP 2 Cb -0.11 -2.59 0.10 0.00 -1.46 0.00 0.00 42.92 38.87 1cww s ASP 2 CO 0.28 -0.31 1.71 0.00 0.52 0.00 0.00 175.17 177.37 1cww h ALA 3 N 6.10 0.38 -0.44 3.66 0.00 -1.97 0.70 119.26 127.68 1cww h ALA 3 Ca -0.43 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 1cww h ALA 3 Cb 1.21 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1cww h ALA 3 CO 0.76 -0.38 0.00 0.87 0.00 0.00 0.00 179.25 180.51 1cww h LYS 4 N 0.13 0.72 0.56 0.00 1.79 -1.94 0.75 116.57 118.58 1cww h LYS 4 Ca 0.19 -0.18 -0.03 0.00 -2.18 0.00 0.00 60.65 58.45 1cww h LYS 4 Cb 0.26 -0.09 0.01 0.00 -1.58 0.00 0.00 32.23 30.83 1cww h LYS 4 CO -0.30 0.73 -0.27 0.00 -1.08 0.00 0.00 179.45 178.53 1cww h ALA 5 N 1.32 -0.75 -0.69 3.86 0.00 -1.48 0.12 119.26 121.64 1cww h ALA 5 Ca 0.14 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.95 1cww h ALA 5 Cb 0.42 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1cww h ALA 5 CO 0.02 -0.75 0.46 -0.09 0.00 0.00 0.00 179.25 178.89 1cww h ARG 6 N -1.10 0.56 0.02 0.00 1.12 0.42 -2.44 114.38 112.96 1cww h ARG 6 Ca -0.08 -0.03 -0.00 0.00 -1.11 0.00 0.00 59.98 58.76 1cww h ARG 6 Cb 0.63 -0.13 0.00 0.00 -0.01 0.00 0.00 29.97 30.46 1cww h ARG 6 CO 0.13 0.37 -0.01 -0.91 -3.11 0.00 0.00 179.97 176.44 1cww h ASN 7 N 0.58 -0.02 -0.24 -3.80 4.21 -0.83 -2.80 115.58 112.68 1cww h ASN 7 Ca 0.32 -0.76 0.07 0.00 1.21 0.00 0.00 56.30 57.13 1cww h ASN 7 Cb 0.47 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.67 1cww h ASN 7 CO -0.11 0.80 0.44 0.00 -1.29 0.00 0.00 177.43 177.28 1cww h LEU 9 N 0.00 -0.28 0.00 0.00 5.85 -1.43 -3.28 115.31 116.18 1cww h LEU 9 Ca 0.11 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1cww h LEU 9 Cb 0.99 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1cww h LEU 9 CO -0.00 0.12 -0.34 0.18 -0.34 0.00 0.00 178.44 178.06 1cww n LEU 10 N -4.62 0.75 0.11 2.25 4.77 -0.58 -3.61 117.00 116.07 1cww n LEU 10 Ca -0.04 0.39 -0.03 0.00 -0.03 0.00 0.00 56.01 56.30 1cww n LEU 10 Cb 0.13 -0.25 0.16 0.00 -2.33 0.00 0.00 43.42 41.13 1cww n LEU 10 CO 0.10 -0.11 0.51 -0.61 -1.33 0.00 0.00 177.39 175.95 1cww h GLN 11 N 0.00 0.13 -1.70 3.23 4.15 0.15 -2.90 115.11 118.17 1cww h GLN 11 Ca 0.00 -0.09 -0.25 0.00 0.77 0.00 0.00 58.65 59.09 1cww h GLN 11 Cb 0.74 0.01 -0.10 0.00 0.21 0.00 0.00 27.48 28.34 1cww h GLN 11 CO 0.00 0.68 0.28 0.72 -1.93 0.00 0.00 178.83 178.58 1cww n HIS 12 N -3.87 1.09 0.09 3.99 8.25 -1.23 -4.49 115.22 119.05 1cww n HIS 12 Ca -0.02 -1.70 0.20 0.00 -0.26 0.00 0.00 57.72 55.94 1cww n HIS 12 Cb 0.60 -0.89 0.72 0.00 1.12 0.00 0.00 29.99 31.54 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 1.51 0.00 -0.55 -0.41 1.12 -1.72 0.57 114.38 114.90 1cww h ARG 13 Ca 0.22 0.00 0.14 0.00 -1.11 0.00 0.00 59.98 59.23 1cww h ARG 13 Cb 0.94 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.88 1cww h ARG 13 CO 0.55 0.00 0.39 1.05 -3.11 0.00 0.00 179.97 178.85 1cww h GLU 14 N 0.00 0.13 0.00 0.20 4.11 -1.89 -2.21 114.58 114.92 1cww h GLU 14 Ca 0.20 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.62 1cww h GLU 14 Cb 1.19 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1cww h GLU 14 CO -0.00 0.08 -1.09 0.00 0.07 0.00 0.00 179.01 178.07 1cww n ALA 15 N -2.60 2.24 -1.00 1.06 0.00 0.16 -4.55 120.51 115.81 1cww n ALA 15 Ca 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1cww n ALA 15 Cb 0.53 -0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.82 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 -1.60 0.00 0.33 0.00 -0.00 0.12 -0.29 117.00 115.56 1cww n LEU 16 Ca -0.01 0.22 0.22 0.00 -0.00 0.00 0.00 56.01 56.44 1cww n LEU 16 Cb 0.12 0.00 1.16 0.00 -0.00 0.00 0.00 43.42 44.70 1cww n LEU 16 CO 0.10 0.00 1.16 -0.08 -0.00 0.00 0.00 177.39 178.57 1cww h GLU 17 N 0.00 0.00 0.00 1.96 4.57 -1.85 0.68 114.58 119.94 1cww h GLU 17 Ca 0.00 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.04 1cww h GLU 17 Cb 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 1cww h GLU 17 CO 0.00 0.00 -0.66 0.87 -1.18 0.00 0.00 179.01 178.04 1cww h LYS 18 N 0.00 0.00 0.00 1.92 1.79 -1.72 -3.40 116.57 115.15 1cww h LYS 18 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1cww h LYS 18 Cb 0.05 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 1cww h LYS 18 CO 0.00 0.66 -0.80 -3.47 -1.08 0.00 0.00 179.45 174.76 1cww n ASP 19 N -3.37 2.64 -4.62 0.86 2.03 0.60 -5.05 116.55 109.63 1cww n ASP 19 Ca 0.01 0.00 -0.47 0.00 0.52 0.00 0.00 54.79 54.85 1cww n ASP 19 Cb 0.76 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 41.12 1cww n ASP 19 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1cww n ILE 20 N -2.41 0.82 -3.80 5.18 5.41 0.23 -4.97 119.36 119.82 1cww n ILE 20 Ca 0.00 -0.21 -0.08 0.00 1.00 0.00 0.00 62.75 63.47 1cww n ILE 20 Cb 0.40 -1.15 -0.01 0.00 -0.71 0.00 0.00 39.64 38.17 1cww n ILE 20 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1cww n LYS 21 N 2.01 0.43 0.00 0.38 5.02 -1.26 -4.77 118.16 119.96 1cww n LYS 21 Ca 0.14 -1.55 0.00 0.00 -2.02 0.00 0.00 58.31 54.88 1cww n LYS 21 Cb 0.27 1.53 0.00 0.00 -0.02 0.00 0.00 35.03 36.82 1cww n LYS 21 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1cww n THR 22 N -0.33 0.00 0.00 -0.18 5.66 -1.26 -4.80 114.28 113.38 1cww n THR 22 Ca -0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1cww n THR 22 Cb 0.33 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.11 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 -0.09 1.09 7.64 -1.26 -0.92 113.62 120.08 1cww n SER 23 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.80 1cww n SER 23 Cb 0.00 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.29 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 0.88 -0.56 1.43 -1.99 -1.98 -1.37 116.97 113.38 1cww h TYR 24 Ca 0.00 -0.20 0.02 0.00 2.00 0.00 0.00 58.73 60.55 1cww h TYR 24 Cb 0.00 -0.21 -0.04 0.00 2.00 0.00 0.00 36.73 38.48 1cww h TYR 24 CO 0.00 0.93 0.34 0.82 -0.00 0.00 0.00 178.16 180.25 1cww h ILE 25 N 0.67 1.07 0.00 -2.88 2.04 -1.31 0.28 117.51 117.38 1cww h ILE 25 Ca 0.09 -0.23 -0.05 0.00 1.00 0.00 0.00 64.86 65.67 1cww h ILE 25 Cb 0.74 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1cww h ILE 25 CO 0.06 0.12 -0.25 -0.03 0.00 0.00 0.00 178.15 178.06 1cww h MET 26 N 0.68 0.00 -0.23 2.37 4.05 -1.53 -2.35 114.93 117.93 1cww h MET 26 Ca 0.23 0.00 -0.18 0.00 -0.28 0.00 0.00 59.70 59.47 1cww h MET 26 Cb 0.01 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.81 1cww h MET 26 CO -0.09 0.25 -0.58 0.22 0.23 0.00 0.00 176.91 176.93 1cww h ASP 27 N 0.00 0.81 0.86 1.39 3.58 0.06 -2.34 116.42 120.77 1cww h ASP 27 Ca -0.00 -0.45 -0.07 0.00 0.42 0.00 0.00 57.03 56.93 1cww h ASP 27 Cb 0.83 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.64 1cww h ASP 27 CO 0.03 1.21 -0.35 0.45 -2.88 0.00 0.00 179.24 177.71 1cww h HIS 28 N 0.54 0.00 -0.01 0.28 3.86 -0.80 -1.60 115.15 117.42 1cww h HIS 28 Ca 0.00 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.03 1cww h HIS 28 Cb 1.16 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.62 1cww h HIS 28 CO 0.06 0.35 -0.82 0.52 0.86 0.00 0.00 177.93 178.90 1cww h MET 29 N 0.00 0.22 0.12 2.45 2.86 -1.13 -0.62 114.93 118.83 1cww h MET 29 Ca -0.00 -0.22 -0.22 0.00 -2.06 0.00 0.00 59.70 57.19 1cww h MET 29 Cb 0.87 0.06 0.02 0.00 0.06 0.00 0.00 31.60 32.61 1cww h MET 29 CO 0.04 0.93 -0.95 0.82 1.06 0.00 0.00 176.91 178.81 1cww h ILE 30 N 0.13 1.41 0.00 -1.22 2.04 -1.28 -2.55 117.51 116.05 1cww h ILE 30 Ca -0.04 -2.43 -0.01 0.00 1.00 0.00 0.00 64.86 63.38 1cww h ILE 30 Cb 1.42 2.93 -0.00 0.00 -0.74 0.00 0.00 36.82 40.43 1cww h ILE 30 CO 0.13 0.71 -0.07 0.77 0.00 0.00 0.00 178.15 179.69 1cww h SER 31 N -0.09 0.00 0.69 1.72 4.64 -1.34 -0.06 113.55 119.11 1cww h SER 31 Ca -0.15 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.06 1cww h SER 31 Cb 1.70 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.77 1cww h SER 31 CO 0.18 0.07 -0.50 -0.78 -0.87 0.00 0.00 176.83 174.93 1cww h ASP 32 N 0.00 0.00 0.00 4.97 3.58 -1.03 -3.47 116.42 120.47 1cww h ASP 32 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1cww h ASP 32 Cb 0.45 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.50 1cww h ASP 32 CO 0.01 0.50 0.00 0.61 -2.88 0.00 0.00 179.24 177.48 1cww n GLY 33 N 0.20 0.62 0.11 -0.78 0.00 -0.04 -4.94 105.19 100.36 1cww n GLY 33 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 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 0.50 -3.60 1.61 -1.00 -1.69 -3.43 116.94 109.33 1cww h PHE 34 Ca 0.00 -0.37 -0.63 0.00 2.81 0.00 0.00 57.97 59.79 1cww h PHE 34 Cb 0.00 -0.02 -0.16 0.00 3.61 0.00 0.00 35.95 39.38 1cww h PHE 34 CO 0.00 1.35 -0.53 -0.51 -1.61 0.00 0.00 178.31 177.01 1cww s LEU 35 N -7.08 3.98 0.76 1.54 1.43 -0.99 -5.02 118.68 113.29 1cww s LEU 35 Ca -0.07 0.05 -0.02 0.00 -1.03 0.00 0.00 54.13 53.06 1cww s LEU 35 Cb 0.07 -2.07 0.15 0.00 0.03 0.00 0.00 46.19 44.37 1cww s LEU 35 CO 0.87 0.05 1.04 0.28 0.23 0.00 0.00 176.35 178.82 1cww s THR 36 N 1.14 2.05 0.37 5.49 -1.32 -1.26 -4.38 115.64 117.74 1cww s THR 36 Ca 0.07 -0.56 0.08 0.00 -1.21 0.00 0.00 61.69 60.07 1cww s THR 36 Cb -0.14 -2.49 0.31 0.00 -1.51 0.00 0.00 72.50 68.67 1cww s THR 36 CO 0.05 0.00 1.94 0.40 -2.21 0.00 0.00 174.62 174.80 1cww h ILE 37 N -0.67 0.95 -0.30 5.08 1.08 -1.98 0.16 117.51 121.83 1cww h ILE 37 Ca -0.36 -0.23 -0.10 0.00 -0.39 0.00 0.00 64.86 63.78 1cww h ILE 37 Cb 1.26 0.21 -0.01 0.00 -3.07 0.00 0.00 36.82 35.21 1cww h ILE 37 CO 0.38 0.12 -0.24 0.28 -0.69 0.00 0.00 178.15 178.00 1cww h SER 38 N 0.67 0.60 -0.16 1.72 0.02 -1.99 0.56 113.55 114.97 1cww h SER 38 Ca 0.34 -0.21 -0.07 0.00 -0.84 0.00 0.00 61.79 61.01 1cww h SER 38 Cb 0.44 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.82 1cww h SER 38 CO -0.12 0.83 -0.17 -0.33 -1.14 0.00 0.00 176.83 175.89 1cww h GLU 39 N 0.52 0.40 0.62 3.45 4.39 -1.42 -3.22 114.58 119.32 1cww h GLU 39 Ca 0.07 -0.22 -0.03 0.00 0.34 0.00 0.00 59.36 59.53 1cww h GLU 39 Cb 0.70 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.36 1cww h GLU 39 CO 0.05 0.78 -0.30 1.49 -1.16 0.00 0.00 179.01 179.88 1cww h GLU 40 N 0.04 -0.80 -0.91 2.33 4.81 -0.54 -3.16 114.58 116.36 1cww h GLU 40 Ca 0.02 0.05 0.11 0.00 -0.13 0.00 0.00 59.36 59.42 1cww h GLU 40 Cb 0.71 0.18 -0.13 0.00 0.63 0.00 0.00 28.75 30.15 1cww h GLU 40 CO 0.04 -0.52 -0.43 -1.91 -0.73 0.00 0.00 179.01 175.46 1cww n GLU 41 N -5.43 -0.29 -0.00 1.92 0.00 0.19 0.11 120.64 117.13 1cww n GLU 41 Ca -0.13 1.38 -0.13 0.00 0.00 0.00 0.00 57.16 58.29 1cww n GLU 41 Cb 0.34 -2.05 -0.10 0.00 0.00 0.00 0.00 31.44 29.64 1cww n GLU 41 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 1cww h LYS 42 N 0.00 -0.02 -0.65 5.31 3.64 -1.63 0.21 116.57 123.43 1cww h LYS 42 Ca 0.24 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.65 1cww h LYS 42 Cb 0.47 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.26 1cww h LYS 42 CO -0.88 0.42 0.43 0.28 -2.27 0.00 0.00 179.45 177.43 1cww h VAL 43 N -0.47 1.11 0.00 2.00 2.07 -1.40 -1.17 116.25 118.40 1cww h VAL 43 Ca -0.00 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1cww h VAL 43 Cb 0.45 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1cww h VAL 43 CO 0.00 0.15 -0.31 -0.09 0.02 0.00 0.00 177.57 177.34 1cww h ARG 44 N 0.81 0.00 -0.61 1.57 2.43 -0.31 -3.29 114.38 114.97 1cww h ARG 44 Ca 0.25 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.33 1cww h ARG 44 Cb 0.02 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 1cww h ARG 44 CO -0.07 0.03 0.03 -0.91 -1.51 0.00 0.00 179.97 177.55 1cww h ASN 45 N 0.00 1.02 -3.31 -3.80 -0.26 0.71 -3.43 115.58 106.51 1cww h ASN 45 Ca -0.00 -0.27 -0.54 0.00 -0.56 0.00 0.00 56.30 54.92 1cww h ASN 45 Cb 1.03 -0.27 0.09 0.00 -1.06 0.00 0.00 38.32 38.11 1cww h ASN 45 CO 0.00 1.05 0.80 -0.62 -1.06 0.00 0.00 177.43 177.60 1cww n GLU 46 N -4.19 2.57 0.09 0.81 -0.58 -1.10 -4.92 120.64 113.32 1cww n GLU 46 Ca 0.03 0.91 0.13 0.00 -0.42 0.00 0.00 57.16 57.81 1cww n GLU 46 Cb 0.33 -2.66 0.35 0.00 -0.57 0.00 0.00 31.44 28.89 1cww n GLU 46 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1cww n PRO 47 N 1.74 0.25 -4.17 3.49 -0.02 -1.26 -4.78 135.00 130.26 1cww n PRO 47 Ca 0.07 0.17 -0.11 0.00 -2.02 0.00 0.00 63.50 61.62 1cww n PRO 47 Cb 0.36 -1.76 -0.10 0.00 -0.02 0.00 0.00 33.50 31.99 1cww n PRO 47 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1cww s THR 48 N -3.11 0.05 0.66 3.45 -4.23 -1.26 -5.00 115.64 106.21 1cww s THR 48 Ca 0.10 -1.93 0.33 0.00 -1.18 0.00 0.00 61.69 59.00 1cww s THR 48 Cb 0.13 -2.25 0.33 0.00 1.34 0.00 0.00 72.50 72.06 1cww s THR 48 CO 0.63 -0.25 2.02 -0.61 -0.54 0.00 0.00 174.62 175.87 1cww h GLN 49 N 2.74 0.00 0.00 3.99 4.15 -1.95 -1.73 115.11 122.31 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 1.22 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.91 1cww h GLN 49 CO 0.56 0.00 0.00 0.94 -1.93 0.00 0.00 178.83 178.40 1cww n GLN 50 N -2.98 0.00 0.00 1.69 7.27 -1.26 -0.09 117.38 122.01 1cww n GLN 50 Ca -0.02 0.25 0.12 0.00 0.07 0.00 0.00 57.00 57.42 1cww n GLN 50 Cb 0.32 -0.69 0.25 0.00 2.41 0.00 0.00 30.24 32.53 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 -0.53 0.59 0.08 3.69 3.00 -1.22 -2.71 117.38 120.29 1cww n GLN 51 Ca 0.00 -0.38 -0.12 0.00 -0.01 0.00 0.00 57.00 56.49 1cww n GLN 51 Cb 0.00 -1.49 -0.08 0.00 0.00 0.00 0.00 30.24 28.67 1cww n GLN 51 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.06 176.97 1cww h ARG 52 N 0.94 -0.25 -0.22 -1.09 2.43 -1.15 0.35 114.38 115.39 1cww h ARG 52 Ca 0.00 0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.09 1cww h ARG 52 Cb 0.54 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1cww h ARG 52 CO 0.00 0.14 -0.26 0.00 -1.51 0.00 0.00 179.97 178.34 1cww h ALA 53 N -0.20 0.32 -0.94 2.80 0.00 -0.65 -2.53 119.26 118.07 1cww h ALA 53 Ca -0.03 -0.39 0.06 0.00 0.00 0.00 0.00 54.91 54.56 1cww h ALA 53 Cb 0.51 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 1cww h ALA 53 CO 0.04 0.31 0.60 0.00 0.00 0.00 0.00 179.25 180.20 1cww h ALA 54 N 0.64 1.29 -0.54 0.00 0.00 -1.54 0.08 119.26 119.20 1cww h ALA 54 Ca 0.03 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1cww h ALA 54 Cb 0.82 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1cww h ALA 54 CO 0.06 0.38 0.03 1.98 0.00 0.00 0.00 179.25 181.71 1cww h MET 55 N 1.10 0.89 0.33 0.00 -1.53 -0.22 0.43 114.93 115.92 1cww h MET 55 Ca 0.40 -0.24 -0.02 0.00 -3.44 0.00 0.00 59.70 56.41 1cww h MET 55 Cb 0.15 -0.10 0.00 0.00 -0.55 0.00 0.00 31.60 31.10 1cww h MET 55 CO -0.17 0.86 -0.16 1.25 0.14 0.00 0.00 176.91 178.83 1cww h LEU 56 N 0.83 -0.37 -1.76 3.39 5.85 -0.81 0.78 115.31 123.22 1cww h LEU 56 Ca 0.16 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 1cww h LEU 56 Cb 0.44 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1cww h LEU 56 CO 0.02 -0.17 -0.06 0.40 -0.34 0.00 0.00 178.44 178.29 1cww h ILE 57 N -0.56 1.08 -0.11 4.05 2.04 -0.84 -2.09 117.51 121.07 1cww h ILE 57 Ca -0.05 -0.33 -0.17 0.00 1.00 0.00 0.00 64.86 65.31 1cww h ILE 57 Cb 0.41 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 1cww h ILE 57 CO 0.07 0.10 -0.66 0.50 0.00 0.00 0.00 178.15 178.17 1cww h LYS 58 N 0.08 0.44 0.08 2.37 3.64 0.31 -2.09 116.57 121.40 1cww h LYS 58 Ca 0.02 -0.33 -0.00 0.00 -1.27 0.00 0.00 60.65 59.07 1cww h LYS 58 Cb 0.15 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1cww h LYS 58 CO 0.01 0.95 -0.04 0.52 -2.27 0.00 0.00 179.45 178.62 1cww h MET 59 N 0.32 -0.11 0.00 1.90 2.86 -0.16 -2.43 114.93 117.31 1cww h MET 59 Ca -0.02 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1cww h MET 59 Cb 1.22 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.90 1cww h MET 59 CO 0.12 0.02 -0.03 0.82 1.06 0.00 0.00 176.91 178.89 1cww h ILE 60 N -0.21 0.90 -0.25 -1.22 2.04 -1.49 -1.01 117.51 116.28 1cww h ILE 60 Ca -0.01 -0.11 0.05 0.00 1.00 0.00 0.00 64.86 65.79 1cww h ILE 60 Cb 0.17 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1cww h ILE 60 CO 0.02 0.03 0.17 0.25 0.00 0.00 0.00 178.15 178.62 1cww h LEU 61 N 0.00 0.10 -4.48 1.44 6.46 -0.86 -2.81 115.31 115.17 1cww h LEU 61 Ca -0.00 -0.00 -0.37 0.00 -0.12 0.00 0.00 57.88 57.39 1cww h LEU 61 Cb 0.06 -0.02 -0.40 0.00 -0.73 0.00 0.00 40.66 39.57 1cww h LEU 61 CO 0.00 0.07 -0.96 0.29 -0.62 0.00 0.00 178.44 177.23 1cww n LYS 62 N -4.49 2.49 0.00 1.25 5.02 -0.48 -5.01 118.16 116.94 1cww n LYS 62 Ca 0.02 -3.73 0.00 0.00 -2.02 0.00 0.00 58.31 52.58 1cww n LYS 62 Cb 0.24 -1.84 0.00 0.00 -0.02 0.00 0.00 35.03 33.41 1cww n LYS 62 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1cww n LYS 63 N -0.62 3.98 -4.49 1.97 3.00 -0.60 -4.98 118.16 116.40 1cww n LYS 63 Ca 0.24 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.30 1cww n LYS 63 Cb 0.89 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 35.82 1cww n LYS 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1cww s ASP 64 N -0.90 3.69 0.23 3.14 1.11 -1.26 -2.61 116.67 120.07 1cww s ASP 64 Ca 0.00 -1.09 -0.08 0.00 0.18 0.00 0.00 52.55 51.56 1cww s ASP 64 Cb 0.00 -0.34 0.22 0.00 1.07 0.00 0.00 42.92 43.87 1cww s ASP 64 CO 0.00 -0.07 1.89 -1.13 1.18 0.00 0.00 175.17 177.05 1cww h ASN 65 N 2.15 0.96 -0.68 0.27 -0.73 -1.34 0.13 115.58 116.33 1cww h ASN 65 Ca -0.41 -0.02 0.03 0.00 1.87 0.00 0.00 56.30 57.77 1cww h ASN 65 Cb 1.26 -0.23 -0.04 0.00 0.27 0.00 0.00 38.32 39.57 1cww h ASN 65 CO 0.64 0.68 0.42 -0.78 -0.37 0.00 0.00 177.43 178.03 1cww h ASP 66 N 1.13 0.69 0.64 1.15 3.58 -1.96 0.12 116.42 121.76 1cww h ASP 66 Ca 0.32 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.67 1cww h ASP 66 Cb -0.08 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 40.81 1cww h ASP 66 CO -0.09 0.48 -0.50 0.28 -2.88 0.00 0.00 179.24 176.53 1cww h SER 67 N 0.82 0.00 -0.39 2.28 0.02 -1.76 -1.99 113.55 112.54 1cww h SER 67 Ca 0.28 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.13 1cww h SER 67 Cb 0.03 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 1cww h SER 67 CO -0.11 0.50 -0.11 0.22 -1.14 0.00 0.00 176.83 176.19 1cww h TYR 68 N 0.00 0.87 0.00 3.45 3.20 0.49 0.52 116.97 125.50 1cww h TYR 68 Ca -0.01 -0.19 -0.05 0.00 3.14 0.00 0.00 58.73 61.62 1cww h TYR 68 Cb 0.96 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.01 1cww h TYR 68 CO 0.00 0.91 -0.26 0.28 -1.64 0.00 0.00 178.16 177.45 1cww h VAL 69 N 0.58 1.02 0.13 1.81 2.07 -0.59 0.40 116.25 121.67 1cww h VAL 69 Ca 0.10 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 1cww h VAL 69 Cb 0.64 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1cww h VAL 69 CO 0.04 0.25 -0.06 -1.28 0.02 0.00 0.00 177.57 176.54 1cww h SER 70 N 0.00 -0.15 -0.95 0.57 0.87 -0.57 0.34 113.55 113.66 1cww h SER 70 Ca -0.00 -0.38 0.11 0.00 -1.23 0.00 0.00 61.79 60.29 1cww h SER 70 Cb 0.51 0.04 -0.07 0.00 -0.44 0.00 0.00 62.40 62.44 1cww h SER 70 CO 0.03 0.35 0.61 0.15 -0.53 0.00 0.00 176.83 177.44 1cww h PHE 71 N -0.70 1.05 -0.32 2.24 3.57 0.40 0.17 116.94 123.35 1cww h PHE 71 Ca -0.02 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.55 1cww h PHE 71 Cb 0.52 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 1cww h PHE 71 CO 0.08 0.46 0.11 -0.92 -2.23 0.00 0.00 178.31 175.81 1cww h TYR 72 N 0.95 0.20 -0.53 0.41 3.20 -0.06 -1.00 116.97 120.14 1cww h TYR 72 Ca 0.45 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.27 1cww h TYR 72 Cb 0.43 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 1cww h TYR 72 CO -0.00 0.09 0.06 -0.97 -1.64 0.00 0.00 178.16 175.70 1cww h ASN 73 N 0.25 0.81 -0.29 -2.11 -1.24 0.10 -2.51 115.58 110.59 1cww h ASN 73 Ca 0.14 -0.18 -0.06 0.00 0.71 0.00 0.00 56.30 56.91 1cww h ASN 73 Cb 0.11 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 38.93 1cww h ASN 73 CO -0.14 0.84 -0.01 0.00 -1.29 0.00 0.00 177.43 176.83 1cww h ALA 74 N 1.26 1.25 -0.52 1.57 0.00 -0.12 -2.04 119.26 120.65 1cww h ALA 74 Ca 0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1cww h ALA 74 Cb 0.39 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1cww h ALA 74 CO 0.01 0.50 0.30 -0.07 0.00 0.00 0.00 179.25 179.99 1cww h LEU 75 N 0.60 0.65 -1.17 0.00 3.38 -0.78 -0.71 115.31 117.28 1cww h LEU 75 Ca 0.12 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1cww h LEU 75 Cb 0.39 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1cww h LEU 75 CO 0.02 0.54 0.00 -0.07 0.09 0.00 0.00 178.44 179.01 1cww h LEU 76 N 0.70 0.00 0.20 1.67 4.07 -1.06 0.66 115.31 121.55 1cww h LEU 76 Ca 0.19 0.00 -0.31 0.00 0.08 0.00 0.00 57.88 57.83 1cww h LEU 76 Cb 0.02 0.00 0.03 0.00 1.08 0.00 0.00 40.66 41.79 1cww h LEU 76 CO -0.03 0.00 -1.38 -0.74 -1.08 0.00 0.00 178.44 175.20 1cww h HIS 77 N 0.00 0.82 -0.72 1.13 2.76 -0.51 -3.34 115.15 115.28 1cww h HIS 77 Ca 0.00 -0.59 -0.46 0.00 -2.20 0.00 0.00 60.37 57.11 1cww h HIS 77 Cb 0.24 -0.04 -0.27 0.00 1.55 0.00 0.00 27.41 28.89 1cww h HIS 77 CO 0.00 1.46 0.08 0.39 -1.30 0.00 0.00 177.93 178.56 1cww n GLU 78 N -3.66 2.61 -2.26 5.26 -0.58 -0.96 -4.94 120.64 116.11 1cww n GLU 78 Ca -0.14 -3.47 -0.10 0.00 -0.42 0.00 0.00 57.16 53.04 1cww n GLU 78 Cb 1.07 -2.12 -0.00 0.00 -0.57 0.00 0.00 31.44 29.82 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 -0.96 -0.01 2.64 0.62 0.00 -1.06 -4.95 105.19 101.47 1cww n GLY 79 Ca 0.48 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.98 3.13 0.17 1.61 4.02 0.23 -4.71 117.16 117.63 1cww n TYR 80 Ca -0.11 -2.64 0.02 0.00 -0.01 0.00 0.00 57.90 55.16 1cww n TYR 80 Cb 0.58 -0.82 0.30 0.00 -0.02 0.00 0.00 39.34 39.38 1cww n TYR 80 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1cww h LYS 81 N 2.69 0.00 -0.05 -0.72 3.64 -1.91 -2.79 116.57 117.42 1cww h LYS 81 Ca 0.48 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.80 1cww h LYS 81 Cb 0.51 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1cww h LYS 81 CO 1.23 0.45 -0.21 -0.44 -2.27 0.00 0.00 179.45 178.21 1cww h ASP 82 N 0.00 0.27 -0.42 4.20 3.32 -1.96 -0.46 116.42 121.37 1cww h ASP 82 Ca -0.00 -0.64 0.00 0.00 0.02 0.00 0.00 57.03 56.41 1cww h ASP 82 Cb 0.83 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.28 1cww h ASP 82 CO 0.06 0.87 0.27 0.25 -1.72 0.00 0.00 179.24 178.97 1cww h LEU 83 N -0.30 0.49 -1.42 1.55 7.12 -1.95 -1.53 115.31 119.27 1cww h LEU 83 Ca -0.01 -0.03 0.00 0.00 0.13 0.00 0.00 57.88 57.97 1cww h LEU 83 Cb 0.85 -0.12 -0.03 0.00 -0.53 0.00 0.00 40.66 40.83 1cww h LEU 83 CO 0.04 0.37 0.36 0.00 -0.13 0.00 0.00 178.44 179.09 1cww h ALA 84 N 1.14 1.57 -0.62 1.25 0.00 -1.52 -1.07 119.26 120.02 1cww h ALA 84 Ca 0.15 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1cww h ALA 84 Cb -0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1cww h ALA 84 CO -0.03 0.39 0.17 0.00 0.00 0.00 0.00 179.25 179.77 1cww h ALA 85 N 1.63 1.13 0.00 0.00 0.00 -0.13 0.32 119.26 122.22 1cww h ALA 85 Ca 0.21 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1cww h ALA 85 Cb -0.07 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1cww h ALA 85 CO -0.04 0.59 -0.04 -0.07 0.00 0.00 0.00 179.25 179.69 1cww h LEU 86 N 0.92 0.00 0.00 0.00 3.38 -0.29 -1.44 115.31 117.87 1cww h LEU 86 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1cww h LEU 86 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1cww h LEU 86 CO -0.00 0.04 -1.32 0.18 0.09 0.00 0.00 178.44 177.42 1cww n LEU 87 N -3.66 0.60 0.31 1.67 4.77 -0.02 -4.27 117.00 116.40 1cww n LEU 87 Ca -0.03 -0.24 0.20 0.00 -0.03 0.00 0.00 56.01 55.91 1cww n LEU 87 Cb 0.13 -0.02 1.05 0.00 -2.33 0.00 0.00 43.42 42.25 1cww n LEU 87 CO 0.27 0.13 1.16 -0.74 -1.33 0.00 0.00 177.39 176.88 1cww h HIS 88 N 0.00 0.00 0.00 -1.77 2.76 0.69 0.16 115.15 116.98 1cww h HIS 88 Ca 0.00 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 1cww h HIS 88 Cb 0.70 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.66 1cww h HIS 88 CO 0.00 0.00 -0.16 0.22 -1.30 0.00 0.00 177.93 176.69 1cww h ASP 89 N 0.00 0.00 0.00 3.26 3.58 -1.74 -2.91 116.42 118.61 1cww h ASP 89 Ca 0.01 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.42 1cww h ASP 89 Cb 0.20 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 1cww h ASP 89 CO -0.00 0.16 -1.93 0.61 -2.88 0.00 0.00 179.24 175.20 1cww n GLY 90 N -0.27 -0.89 3.64 -0.78 0.00 0.50 -4.83 105.19 102.56 1cww n GLY 90 Ca -0.01 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 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 -3.24 3.98 0.00 -0.61 -1.09 -0.88 -4.46 121.20 114.90 1cww s ILE 91 Ca -0.07 1.12 0.00 0.00 -2.23 0.00 0.00 60.65 59.47 1cww s ILE 91 Cb 0.12 -3.95 0.00 0.00 -1.58 0.00 0.00 42.46 37.05 1cww s ILE 91 CO 0.80 -0.35 0.78 -2.65 -1.23 0.00 0.00 174.94 172.29 1cww n PRO 92 N 7.33 0.00 -4.96 2.79 -0.02 -1.26 -4.82 135.00 134.06 1cww n PRO 92 Ca 0.16 0.36 -0.28 0.00 -2.02 0.00 0.00 63.50 61.72 1cww n PRO 92 Cb 0.46 -1.31 -0.16 0.00 -0.02 0.00 0.00 33.50 32.46 1cww n PRO 92 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1cww s VAL 93 N -2.26 1.64 -0.30 -1.45 -7.23 -1.26 -4.98 120.40 104.55 1cww s VAL 93 Ca 0.00 -0.81 0.14 0.00 -1.81 0.00 0.00 61.98 59.50 1cww s VAL 93 Cb 0.00 -1.42 0.40 0.00 0.56 0.00 0.00 36.38 35.92 1cww s VAL 93 CO 0.00 0.47 1.44 0.55 -0.31 0.00 0.00 175.10 177.24 1cww n VAL 94 N 3.33 0.20 -3.64 1.32 3.14 -1.26 -5.08 118.33 116.34 1cww n VAL 94 Ca -0.19 -1.23 -0.04 0.00 -2.96 0.00 0.00 64.34 59.92 1cww n VAL 94 Cb 0.53 1.01 0.02 0.00 -1.06 0.00 0.00 33.84 34.34 1cww n VAL 94 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1cww n SER 95 N -1.27 -1.40 -4.64 6.55 3.41 -1.26 -5.12 113.62 109.88 1cww n SER 95 Ca -0.14 -1.88 -0.43 0.00 -0.26 0.00 0.00 58.87 56.16 1cww n SER 95 Cb 0.86 2.31 -0.02 0.00 -0.26 0.00 0.00 64.21 67.10 1cww n SER 95 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1cww s SER 96 N -2.54 6.84 0.00 4.04 0.01 -1.26 -5.26 113.70 115.53 1cww s SER 96 Ca 0.13 1.37 0.23 0.00 1.31 0.00 0.00 55.95 58.99 1cww s SER 96 Cb -0.03 -2.54 0.18 0.00 0.21 0.00 0.00 66.02 63.84 1cww s SER 96 CO 0.06 -0.91 1.22 -1.20 0.41 0.00 0.00 173.24 172.82