#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 0.49 -0.05 1.61 0.11 -2.05 -1.58 132.00 130.53 1cww h PRO -4 Ca 0.00 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1cww h PRO -4 Cb 0.00 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.02 1cww h PRO -4 CO 0.00 0.44 0.00 1.47 -0.21 0.00 0.00 178.00 179.70 1cww n LEU -3 N -4.36 0.34 -3.59 2.35 -0.00 -1.26 -4.46 117.00 106.02 1cww n LEU -3 Ca 0.02 -0.16 -0.41 0.00 -0.00 0.00 0.00 56.01 55.46 1cww n LEU -3 Cb 0.17 -0.03 -0.01 0.00 -0.00 0.00 0.00 43.42 43.55 1cww n LEU -3 CO 0.37 0.08 2.56 0.61 -0.00 0.00 0.00 177.39 181.01 1cww n GLY -2 N 0.71 4.74 1.03 1.47 0.00 -0.59 -4.86 105.19 107.68 1cww n GLY -2 Ca 0.07 -1.86 -0.04 0.00 0.00 0.00 0.00 46.02 44.19 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 3.47 -0.49 -3.30 1.61 3.41 -1.26 -4.79 113.62 112.28 1cww n SER -1 Ca 0.58 -1.53 -0.22 0.00 -0.26 0.00 0.00 58.87 57.44 1cww n SER -1 Cb 0.30 0.87 0.18 0.00 -0.26 0.00 0.00 64.21 65.29 1cww n SER -1 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 1cww n MET 1 N -0.17 -2.29 -1.99 4.33 0.00 -1.25 -4.68 117.12 111.08 1cww n MET 1 Ca -0.01 -1.33 -0.41 0.00 0.00 0.00 0.00 57.70 55.95 1cww n MET 1 Cb 0.17 -1.17 -0.02 0.00 0.00 0.00 0.00 33.22 32.20 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 -3.85 6.63 0.41 3.17 -1.08 -1.26 -4.86 116.67 115.83 1cww s ASP 2 Ca 0.53 2.69 0.13 0.00 -0.52 0.00 0.00 52.55 55.38 1cww s ASP 2 Cb -0.04 -2.62 0.88 0.00 -1.46 0.00 0.00 42.92 39.67 1cww s ASP 2 CO 0.40 -0.72 1.93 0.00 0.52 0.00 0.00 175.17 177.30 1cww h ALA 3 N 5.00 1.57 -0.29 3.66 0.00 -1.96 0.46 119.26 127.70 1cww h ALA 3 Ca -0.46 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.10 1cww h ALA 3 Cb 1.22 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1cww h ALA 3 CO 0.78 0.32 -0.37 0.87 0.00 0.00 0.00 179.25 180.84 1cww h LYS 4 N 0.05 0.66 0.01 0.00 1.79 -1.93 -0.24 116.57 116.92 1cww h LYS 4 Ca 0.01 -0.32 -0.00 0.00 -2.18 0.00 0.00 60.65 58.15 1cww h LYS 4 Cb 0.42 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 1cww h LYS 4 CO 0.03 0.93 -0.01 0.00 -1.08 0.00 0.00 179.45 179.32 1cww h ALA 5 N 1.04 -0.02 -0.18 3.86 0.00 -1.60 -1.60 119.26 120.76 1cww h ALA 5 Ca 0.05 -0.38 0.05 0.00 0.00 0.00 0.00 54.91 54.63 1cww h ALA 5 Cb 0.89 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1cww h ALA 5 CO 0.08 -0.10 0.13 -0.09 0.00 0.00 0.00 179.25 179.27 1cww h ARG 6 N -0.83 0.01 0.00 0.00 2.43 -0.10 -2.41 114.38 113.47 1cww h ARG 6 Ca -0.00 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1cww h ARG 6 Cb 0.77 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.32 1cww h ARG 6 CO 0.00 0.00 -0.11 -0.91 -1.51 0.00 0.00 179.97 177.45 1cww h ASN 7 N 0.01 0.00 -0.52 -3.80 2.35 -1.08 -2.91 115.58 109.63 1cww h ASN 7 Ca 0.09 -0.57 0.15 0.00 -0.55 0.00 0.00 56.30 55.42 1cww h ASN 7 Cb 0.34 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.69 1cww h ASN 7 CO -0.00 0.85 0.64 0.00 -1.65 0.00 0.00 177.43 177.27 1cww h LEU 9 N 0.00 -0.28 0.00 0.00 5.85 -1.50 -3.25 115.31 116.12 1cww h LEU 9 Ca 0.25 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.98 1cww h LEU 9 Cb 1.53 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.63 1cww h LEU 9 CO -0.00 0.05 -0.34 -0.07 -0.34 0.00 0.00 178.44 177.73 1cww h LEU 10 N -0.83 0.00 -0.94 2.25 3.38 -0.93 -3.29 115.31 114.95 1cww h LEU 10 Ca -0.03 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 1cww h LEU 10 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1cww h LEU 10 CO 0.06 0.01 -0.36 -0.61 0.09 0.00 0.00 178.44 177.63 1cww h GLN 11 N 0.00 0.33 -1.79 1.13 4.15 0.20 -2.72 115.11 116.41 1cww h GLN 11 Ca 0.00 -0.14 -0.18 0.00 0.77 0.00 0.00 58.65 59.10 1cww h GLN 11 Cb 0.93 -0.01 -0.07 0.00 0.21 0.00 0.00 27.48 28.53 1cww h GLN 11 CO 0.00 0.65 0.18 0.72 -1.93 0.00 0.00 178.83 178.44 1cww n HIS 12 N -4.06 0.74 -0.39 3.99 8.25 -1.23 -4.56 115.22 117.97 1cww n HIS 12 Ca -0.01 -1.50 0.31 0.00 -0.26 0.00 0.00 57.72 56.26 1cww n HIS 12 Cb 0.45 -0.81 0.61 0.00 1.12 0.00 0.00 29.99 31.36 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 1.43 0.20 -0.05 -0.41 9.65 -1.70 0.81 114.38 124.29 1cww h ARG 13 Ca 0.16 -0.01 0.02 0.00 -1.10 0.00 0.00 59.98 59.04 1cww h ARG 13 Cb 0.98 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 29.51 1cww h ARG 13 CO 0.39 0.13 0.06 0.93 2.80 0.00 0.00 179.97 184.28 1cww h GLU 14 N 0.20 0.00 0.00 0.20 3.07 -1.89 -2.38 114.58 113.78 1cww h GLU 14 Ca 0.69 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 59.43 1cww h GLU 14 Cb 2.12 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 30.01 1cww h GLU 14 CO -0.30 0.00 -1.59 0.00 -1.40 0.00 0.00 179.01 175.72 1cww n ALA 15 N -2.33 1.91 -1.00 3.43 0.00 0.22 -4.45 120.51 118.28 1cww n ALA 15 Ca -0.02 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1cww n ALA 15 Cb 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.57 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 -2.23 0.00 0.00 0.00 -0.00 0.22 -1.41 117.00 113.58 1cww n LEU 16 Ca -0.12 0.16 0.01 0.00 -0.00 0.00 0.00 56.01 56.06 1cww n LEU 16 Cb 0.68 0.00 0.07 0.00 -0.00 0.00 0.00 43.42 44.16 1cww n LEU 16 CO 0.20 0.00 0.43 1.21 -0.00 0.00 0.00 177.39 179.23 1cww n GLU 17 N -0.22 0.05 0.01 1.96 4.07 -1.14 0.26 120.64 125.61 1cww n GLU 17 Ca 0.00 0.22 -0.20 0.00 -0.06 0.00 0.00 57.16 57.11 1cww n GLU 17 Cb 0.00 -1.50 -0.14 0.00 -0.06 0.00 0.00 31.44 29.74 1cww n GLU 17 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 1cww h LYS 18 N 0.00 0.22 0.00 5.31 3.11 -1.69 -3.41 116.57 120.12 1cww h LYS 18 Ca 0.00 -0.38 -0.00 0.00 -2.81 0.00 0.00 60.65 57.46 1cww h LYS 18 Cb 0.02 0.14 -0.00 0.00 -1.00 0.00 0.00 32.23 31.39 1cww h LYS 18 CO 0.00 1.18 -1.30 -3.47 -2.81 0.00 0.00 179.45 173.05 1cww n ASP 19 N -4.08 3.49 -4.70 4.20 2.03 -0.50 -5.02 116.55 111.97 1cww n ASP 19 Ca -0.21 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.68 1cww n ASP 19 Cb 0.83 1.30 -0.03 0.00 -0.72 0.00 0.00 41.12 42.49 1cww n ASP 19 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1cww n ILE 20 N -1.74 0.14 -4.06 5.18 3.06 0.14 -4.98 119.36 117.12 1cww n ILE 20 Ca -0.01 -0.03 -0.12 0.00 -2.50 0.00 0.00 62.75 60.09 1cww n ILE 20 Cb 0.18 -2.01 -0.05 0.00 0.54 0.00 0.00 39.64 38.30 1cww n ILE 20 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 1cww s LYS 21 N 1.78 1.70 0.00 9.51 1.02 -1.26 -4.86 119.74 127.63 1cww s LYS 21 Ca 0.78 -1.54 0.00 0.00 0.02 0.00 0.00 55.97 55.24 1cww s LYS 21 Cb -0.51 0.44 0.00 0.00 -0.52 0.00 0.00 37.83 37.24 1cww s LYS 21 CO 0.35 -0.70 0.00 -2.37 -0.92 0.00 0.00 175.35 171.71 1cww n THR 22 N -0.46 0.00 0.00 2.17 5.66 -1.26 -4.75 114.28 115.64 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 0.62 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.40 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 -0.11 1.09 7.64 -1.26 -0.99 113.62 119.98 1cww n SER 23 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.79 1cww n SER 23 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 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 0.52 -0.12 1.43 -1.99 -1.98 -0.90 116.97 113.92 1cww h TYR 24 Ca 0.00 -0.04 0.04 0.00 2.00 0.00 0.00 58.73 60.74 1cww h TYR 24 Cb 0.00 -0.16 -0.05 0.00 2.00 0.00 0.00 36.73 38.52 1cww h TYR 24 CO 0.00 0.47 -0.21 0.82 -0.00 0.00 0.00 178.16 179.24 1cww h ILE 25 N 0.42 0.48 0.00 -2.88 2.04 -1.35 -0.12 117.51 116.10 1cww h ILE 25 Ca 0.12 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.98 1cww h ILE 25 Cb 0.16 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1cww h ILE 25 CO -0.01 0.00 0.00 -0.03 0.00 0.00 0.00 178.15 178.11 1cww h MET 26 N -0.27 0.00 -0.35 2.37 4.05 -1.52 -2.90 114.93 116.31 1cww h MET 26 Ca 0.10 0.00 -0.16 0.00 -0.28 0.00 0.00 59.70 59.35 1cww h MET 26 Cb 0.41 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.21 1cww h MET 26 CO -0.28 0.00 -0.42 0.22 0.23 0.00 0.00 176.91 176.66 1cww h ASP 27 N 0.00 0.96 0.21 1.39 3.58 0.43 -1.88 116.42 121.09 1cww h ASP 27 Ca 0.00 -0.45 -0.10 0.00 0.42 0.00 0.00 57.03 56.89 1cww h ASP 27 Cb 0.55 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.31 1cww h ASP 27 CO 0.00 1.24 -0.38 0.45 -2.88 0.00 0.00 179.24 177.67 1cww h HIS 28 N 0.72 0.29 -0.46 0.28 3.86 -1.16 0.49 115.15 119.16 1cww h HIS 28 Ca 0.05 -0.07 -0.13 0.00 -1.16 0.00 0.00 60.37 59.05 1cww h HIS 28 Cb 1.01 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 29.41 1cww h HIS 28 CO 0.06 0.60 -0.24 0.52 0.86 0.00 0.00 177.93 179.74 1cww h MET 29 N 0.21 0.96 0.19 2.45 2.86 -1.34 -0.41 114.93 119.86 1cww h MET 29 Ca 0.02 -0.42 -0.32 0.00 -2.06 0.00 0.00 59.70 56.92 1cww h MET 29 Cb 0.78 -0.03 0.03 0.00 0.06 0.00 0.00 31.60 32.45 1cww h MET 29 CO 0.06 1.09 -1.38 0.82 1.06 0.00 0.00 176.91 178.56 1cww h ILE 30 N 0.83 1.28 0.00 -1.22 2.04 -1.20 -0.52 117.51 118.72 1cww h ILE 30 Ca 0.10 -2.59 -0.03 0.00 1.00 0.00 0.00 64.86 63.34 1cww h ILE 30 Cb 0.81 2.88 -0.00 0.00 -0.74 0.00 0.00 36.82 39.77 1cww h ILE 30 CO 0.07 0.78 -0.15 0.28 0.00 0.00 0.00 178.15 179.13 1cww h SER 31 N 0.21 0.00 1.55 1.72 0.02 -0.89 -0.49 113.55 115.67 1cww h SER 31 Ca -0.23 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.66 1cww h SER 31 Cb 2.06 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.59 1cww h SER 31 CO 0.26 0.15 -0.46 0.44 -1.14 0.00 0.00 176.83 176.08 1cww h ASP 32 N 0.00 0.00 0.00 3.07 3.32 -1.05 -3.48 116.42 118.28 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 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1cww h ASP 32 CO 0.02 0.27 0.00 0.61 -1.72 0.00 0.00 179.24 178.42 1cww n GLY 33 N 1.19 0.81 0.13 2.75 0.00 -0.19 -4.96 105.19 104.93 1cww n GLY 33 Ca 0.01 0.00 -0.19 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 0.71 -3.10 1.61 -1.00 -1.34 -3.43 116.94 110.39 1cww h PHE 34 Ca 0.00 -0.51 -0.62 0.00 2.81 0.00 0.00 57.97 59.66 1cww h PHE 34 Cb 0.00 -0.03 -0.11 0.00 3.61 0.00 0.00 35.95 39.42 1cww h PHE 34 CO 0.00 1.39 -0.49 -0.51 -1.61 0.00 0.00 178.31 177.09 1cww s LEU 35 N -7.39 4.25 0.00 1.54 1.43 -0.84 -4.96 118.68 112.72 1cww s LEU 35 Ca -0.06 0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 1cww s LEU 35 Cb 0.06 -2.08 0.15 0.00 0.03 0.00 0.00 46.19 44.34 1cww s LEU 35 CO 0.91 0.24 1.01 0.41 0.23 0.00 0.00 176.35 179.15 1cww n THR 36 N 3.10 0.00 -0.28 5.49 -1.04 -1.26 -4.40 114.28 115.89 1cww n THR 36 Ca -0.17 -1.62 -0.00 0.00 -2.04 0.00 0.00 64.05 60.22 1cww n THR 36 Cb 0.53 -0.87 0.19 0.00 -1.82 0.00 0.00 70.33 68.37 1cww n THR 36 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1cww h ILE 37 N -0.58 1.22 -0.59 12.58 5.03 -1.98 0.18 117.51 133.37 1cww h ILE 37 Ca -0.33 -0.40 -0.09 0.00 -0.12 0.00 0.00 64.86 63.92 1cww h ILE 37 Cb 1.25 -0.03 -0.02 0.00 -3.03 0.00 0.00 36.82 34.99 1cww h ILE 37 CO 0.36 0.21 0.01 -1.28 -0.68 0.00 0.00 178.15 176.78 1cww h SER 38 N 1.15 1.01 -0.22 1.72 0.87 -1.99 0.25 113.55 116.35 1cww h SER 38 Ca 0.31 -0.30 -0.02 0.00 -1.23 0.00 0.00 61.79 60.55 1cww h SER 38 Cb -0.13 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.55 1cww h SER 38 CO -0.07 1.06 0.07 -0.33 -0.53 0.00 0.00 176.83 177.03 1cww h GLU 39 N 0.93 0.34 -0.34 2.24 3.07 -1.70 -2.89 114.58 116.23 1cww h GLU 39 Ca 0.17 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 58.95 1cww h GLU 39 Cb 0.54 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.38 1cww h GLU 39 CO 0.03 0.44 0.19 1.49 -1.40 0.00 0.00 179.01 179.75 1cww h GLU 40 N 0.18 0.47 -0.13 2.33 4.81 -0.48 -3.18 114.58 118.58 1cww h GLU 40 Ca 0.07 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1cww h GLU 40 Cb 0.24 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.47 1cww h GLU 40 CO -0.00 0.38 -0.42 1.49 -0.73 0.00 0.00 179.01 179.73 1cww h GLU 41 N 0.43 -0.41 -0.28 1.92 4.81 -0.36 0.23 114.58 120.91 1cww h GLU 41 Ca 0.12 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.41 1cww h GLU 41 Cb 0.05 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 1cww h GLU 41 CO -0.02 -0.28 0.08 0.87 -0.73 0.00 0.00 179.01 178.93 1cww h LYS 42 N -0.43 0.18 -0.43 1.92 1.57 -1.57 0.47 116.57 118.29 1cww h LYS 42 Ca 0.03 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1cww h LYS 42 Cb 0.51 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 1cww h LYS 42 CO -0.35 0.12 0.28 0.28 -0.57 0.00 0.00 179.45 179.22 1cww h VAL 43 N 0.19 1.11 -0.04 0.50 2.07 -1.50 -2.48 116.25 116.09 1cww h VAL 43 Ca 0.13 -0.21 -0.11 0.00 0.82 0.00 0.00 66.70 67.33 1cww h VAL 43 Cb 0.11 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1cww h VAL 43 CO -0.15 0.11 -0.47 0.03 0.02 0.00 0.00 177.57 177.11 1cww h ARG 44 N 0.58 0.10 -0.74 1.57 2.47 -0.61 -3.17 114.38 114.59 1cww h ARG 44 Ca 0.16 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.81 1cww h ARG 44 Cb -0.06 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.22 1cww h ARG 44 CO -0.03 0.55 0.39 -0.91 0.56 0.00 0.00 179.97 180.53 1cww h ASN 45 N 0.08 0.93 -4.18 7.04 -0.26 0.39 -3.43 115.58 116.16 1cww h ASN 45 Ca 0.00 -0.11 -0.51 0.00 -0.56 0.00 0.00 56.30 55.12 1cww h ASN 45 Cb 0.87 -0.24 0.11 0.00 -1.06 0.00 0.00 38.32 37.99 1cww h ASN 45 CO 0.07 0.78 0.39 -1.61 -1.06 0.00 0.00 177.43 175.99 1cww s GLU 46 N -5.80 2.78 -0.03 0.81 0.41 -1.07 -5.02 118.70 110.78 1cww s GLU 46 Ca -0.13 1.49 -0.04 0.00 -0.41 0.00 0.00 54.97 55.88 1cww s GLU 46 Cb 0.15 -1.94 -0.02 0.00 -1.78 0.00 0.00 34.13 30.54 1cww s GLU 46 CO 0.80 -1.28 0.29 -1.35 -0.49 0.00 0.00 175.26 173.23 1cww h PRO 47 N 0.16 -0.12 0.00 0.39 0.11 -1.87 -3.44 132.00 127.23 1cww h PRO 47 Ca -0.47 0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.55 1cww h PRO 47 Cb 1.26 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 1cww h PRO 47 CO 0.54 -0.08 -0.07 0.25 -0.21 0.00 0.00 178.00 178.43 1cww n THR 48 N -3.20 0.00 -0.61 -1.15 -2.24 -1.26 -4.90 114.28 100.91 1cww n THR 48 Ca -0.02 -0.35 0.48 0.00 -2.27 0.00 0.00 64.05 61.90 1cww n THR 48 Cb 0.05 0.09 0.77 0.00 -2.10 0.00 0.00 70.33 69.14 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 0.00 -0.78 5.75 -1.96 0.15 115.11 118.28 1cww h GLN 49 Ca -0.06 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.44 1cww h GLN 49 Cb 0.18 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.73 1cww h GLN 49 CO 0.09 0.00 0.00 0.94 -2.65 0.00 0.00 178.83 177.21 1cww n GLN 50 N -4.28 0.00 0.00 1.69 7.27 -1.26 -1.91 117.38 118.89 1cww n GLN 50 Ca 0.43 0.00 0.13 0.00 0.07 0.00 0.00 57.00 57.63 1cww n GLN 50 Cb 1.84 -0.36 0.47 0.00 2.41 0.00 0.00 30.24 34.60 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 0.00 0.28 -0.08 3.69 1.13 -1.18 -2.60 117.38 118.63 1cww n GLN 51 Ca 0.00 -0.11 -0.12 0.00 -1.94 0.00 0.00 57.00 54.83 1cww n GLN 51 Cb 0.00 -1.50 -0.08 0.00 0.11 0.00 0.00 30.24 28.77 1cww n GLN 51 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1cww h ARG 52 N 0.27 0.00 -0.26 -1.09 2.43 -0.80 -2.80 114.38 112.14 1cww h ARG 52 Ca 0.00 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.01 1cww h ARG 52 Cb 0.45 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1cww h ARG 52 CO 0.00 0.65 -0.46 0.00 -1.51 0.00 0.00 179.97 178.64 1cww h ALA 53 N -0.50 0.40 0.00 2.80 0.00 -1.44 -2.53 119.26 117.98 1cww h ALA 53 Ca -0.11 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.32 1cww h ALA 53 Cb 0.82 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1cww h ALA 53 CO -0.06 0.55 -0.01 0.00 0.00 0.00 0.00 179.25 179.73 1cww h ALA 54 N 0.65 1.88 -0.37 0.00 0.00 -1.29 -0.05 119.26 120.08 1cww h ALA 54 Ca 0.02 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1cww h ALA 54 Cb 1.06 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1cww h ALA 54 CO 0.10 0.01 -0.35 1.98 0.00 0.00 0.00 179.25 181.00 1cww h MET 55 N 0.00 0.86 0.43 0.00 -1.53 -1.19 0.22 114.93 113.73 1cww h MET 55 Ca -0.00 -0.43 -0.02 0.00 -3.44 0.00 0.00 59.70 55.81 1cww h MET 55 Cb 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.07 1cww h MET 55 CO 0.00 1.07 -0.21 1.25 0.14 0.00 0.00 176.91 179.17 1cww h LEU 56 N 0.72 -0.49 -2.15 3.39 5.85 -0.68 0.15 115.31 122.10 1cww h LEU 56 Ca 0.07 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1cww h LEU 56 Cb 0.92 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.07 1cww h LEU 56 CO 0.08 -0.23 -0.04 0.40 -0.34 0.00 0.00 178.44 178.31 1cww h ILE 57 N -0.74 0.75 0.03 4.05 2.04 -1.06 -1.72 117.51 120.85 1cww h ILE 57 Ca -0.06 -0.16 -0.24 0.00 1.00 0.00 0.00 64.86 65.40 1cww h ILE 57 Cb 0.52 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1cww h ILE 57 CO 0.10 0.04 -1.00 0.50 0.00 0.00 0.00 178.15 177.79 1cww h LYS 58 N 0.00 0.41 -0.12 2.37 3.64 -0.14 -2.80 116.57 119.93 1cww h LYS 58 Ca -0.00 -0.47 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1cww h LYS 58 Cb 0.09 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1cww h LYS 58 CO 0.01 1.14 0.08 0.52 -2.27 0.00 0.00 179.45 178.92 1cww h MET 59 N 0.21 0.15 -0.21 1.90 2.86 0.23 -2.61 114.93 117.47 1cww h MET 59 Ca -0.09 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1cww h MET 59 Cb 1.65 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 33.27 1cww h MET 59 CO 0.17 0.10 0.13 0.82 1.06 0.00 0.00 176.91 179.20 1cww h ILE 60 N 0.16 1.07 0.00 -1.22 5.03 -1.57 -1.68 117.51 119.30 1cww h ILE 60 Ca 0.04 -0.14 0.00 0.00 -0.12 0.00 0.00 64.86 64.64 1cww h ILE 60 Cb -0.02 0.78 0.00 0.00 -3.03 0.00 0.00 36.82 34.56 1cww h ILE 60 CO -0.01 0.06 0.00 0.00 -0.68 0.00 0.00 178.15 177.52 1cww n LEU 61 N -4.93 0.43 -1.58 1.44 -0.00 -1.06 -1.65 117.00 109.66 1cww n LEU 61 Ca -0.03 0.67 -0.11 0.00 -0.00 0.00 0.00 56.01 56.54 1cww n LEU 61 Cb 0.04 -0.69 0.09 0.00 -0.00 0.00 0.00 43.42 42.85 1cww n LEU 61 CO 0.34 -0.74 0.22 1.17 -0.00 0.00 0.00 177.39 178.39 1cww n LYS 62 N -2.05 2.69 0.00 1.47 0.00 -0.68 -4.95 118.16 114.64 1cww n LYS 62 Ca -0.00 -3.76 0.00 0.00 0.00 0.00 0.00 58.31 54.55 1cww n LYS 62 Cb 0.08 -1.93 0.00 0.00 0.00 0.00 0.00 35.03 33.17 1cww n LYS 62 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1cww n LYS 63 N -0.80 0.00 -3.85 1.64 3.00 -0.66 -4.98 118.16 112.51 1cww n LYS 63 Ca 0.32 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.53 1cww n LYS 63 Cb 0.87 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.91 1cww n LYS 63 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1cww s ASP 64 N 1.00 0.13 0.36 3.14 -1.08 -1.26 -3.91 116.67 115.04 1cww s ASP 64 Ca 0.00 -1.17 0.26 0.00 -0.52 0.00 0.00 52.55 51.12 1cww s ASP 64 Cb 0.00 0.82 1.22 0.00 -1.46 0.00 0.00 42.92 43.50 1cww s ASP 64 CO 0.00 -1.62 1.80 -0.55 0.52 0.00 0.00 175.17 175.32 1cww h ASN 65 N 2.02 0.00 0.23 -0.34 7.08 -1.90 -0.62 115.58 122.04 1cww h ASN 65 Ca -0.31 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 52.90 1cww h ASN 65 Cb 1.25 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.49 1cww h ASN 65 CO 0.40 0.00 -0.11 -0.78 -2.08 0.00 0.00 177.43 174.86 1cww h ASP 66 N 0.00 -0.26 1.00 6.14 1.82 -1.98 0.48 116.42 123.62 1cww h ASP 66 Ca 0.00 -0.10 -0.17 0.00 -0.39 0.00 0.00 57.03 56.37 1cww h ASP 66 Cb 0.26 0.07 -0.02 0.00 0.68 0.00 0.00 39.33 40.31 1cww h ASP 66 CO 0.00 -0.06 -0.83 0.28 -1.61 0.00 0.00 179.24 177.02 1cww h SER 67 N -0.45 0.00 -0.26 2.28 0.02 -1.84 -2.63 113.55 110.68 1cww h SER 67 Ca -0.03 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.84 1cww h SER 67 Cb 0.34 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 1cww h SER 67 CO 0.05 0.83 -0.13 0.22 -1.14 0.00 0.00 176.83 176.66 1cww h TYR 68 N 0.00 0.63 0.00 3.45 3.20 -0.97 0.76 116.97 124.03 1cww h TYR 68 Ca -0.01 -0.16 -0.07 0.00 3.14 0.00 0.00 58.73 61.64 1cww h TYR 68 Cb 1.56 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.67 1cww h TYR 68 CO 0.00 0.80 -0.32 0.28 -1.64 0.00 0.00 178.16 177.28 1cww h VAL 69 N 0.28 0.98 0.02 1.81 2.07 -0.08 0.32 116.25 121.65 1cww h VAL 69 Ca 0.06 -1.22 -0.00 0.00 0.82 0.00 0.00 66.70 66.36 1cww h VAL 69 Cb 0.64 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1cww h VAL 69 CO 0.04 0.32 -0.01 -1.28 0.02 0.00 0.00 177.57 176.66 1cww h SER 70 N 0.00 -0.02 -0.82 0.57 0.87 -1.06 0.77 113.55 113.87 1cww h SER 70 Ca -0.00 -0.49 0.07 0.00 -1.23 0.00 0.00 61.79 60.14 1cww h SER 70 Cb 0.68 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.59 1cww h SER 70 CO 0.04 0.48 0.53 0.15 -0.53 0.00 0.00 176.83 177.51 1cww h PHE 71 N -0.53 0.89 0.05 2.24 3.57 0.94 0.13 116.94 124.23 1cww h PHE 71 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1cww h PHE 71 Cb 0.51 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1cww h PHE 71 CO 0.10 0.46 -0.06 -0.92 -2.23 0.00 0.00 178.31 175.65 1cww h TYR 72 N 0.87 -0.16 -0.77 0.41 3.20 -0.15 -1.95 116.97 118.41 1cww h TYR 72 Ca 0.36 0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.26 1cww h TYR 72 Cb 0.27 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.57 1cww h TYR 72 CO -0.00 -0.10 0.51 -0.97 -1.64 0.00 0.00 178.16 175.96 1cww h ASN 73 N -0.14 0.83 -0.14 -2.11 -1.24 0.70 -1.82 115.58 111.66 1cww h ASN 73 Ca 0.01 -0.01 -0.07 0.00 0.71 0.00 0.00 56.30 56.94 1cww h ASN 73 Cb 0.14 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 38.98 1cww h ASN 73 CO -0.03 0.57 -0.11 0.00 -1.29 0.00 0.00 177.43 176.58 1cww h ALA 74 N 1.55 1.28 -0.47 1.57 0.00 -0.34 -1.89 119.26 120.96 1cww h ALA 74 Ca 0.30 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1cww h ALA 74 Cb 0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1cww h ALA 74 CO -0.08 0.48 0.03 -0.07 0.00 0.00 0.00 179.25 179.60 1cww h LEU 75 N 0.45 0.71 -0.53 0.00 3.38 -0.58 -0.97 115.31 117.77 1cww h LEU 75 Ca 0.09 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1cww h LEU 75 Cb 0.46 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1cww h LEU 75 CO 0.03 0.77 0.00 0.18 0.09 0.00 0.00 178.44 179.50 1cww n LEU 76 N -4.24 0.56 0.04 1.67 4.32 -0.74 0.49 117.00 119.11 1cww n LEU 76 Ca 0.03 0.63 -0.22 0.00 -0.02 0.00 0.00 56.01 56.43 1cww n LEU 76 Cb 0.27 -0.55 -0.14 0.00 -1.62 0.00 0.00 43.42 41.38 1cww n LEU 76 CO 0.41 -0.48 -0.30 -0.74 -1.22 0.00 0.00 177.39 175.06 1cww h HIS 77 N 0.00 0.57 -0.96 -1.77 2.76 -0.87 -3.37 115.15 111.51 1cww h HIS 77 Ca 0.00 -0.42 -0.65 0.00 -2.20 0.00 0.00 60.37 57.11 1cww h HIS 77 Cb 0.37 -0.02 -0.30 0.00 1.55 0.00 0.00 27.41 29.00 1cww h HIS 77 CO 0.00 1.51 0.65 0.39 -1.30 0.00 0.00 177.93 179.18 1cww n GLU 78 N -3.91 2.76 -2.74 5.26 -0.58 -1.08 -4.91 120.64 115.44 1cww n GLU 78 Ca -0.21 -3.37 -0.21 0.00 -0.42 0.00 0.00 57.16 52.94 1cww n GLU 78 Cb 0.93 -2.27 0.02 0.00 -0.57 0.00 0.00 31.44 29.54 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 -0.91 -0.48 2.19 0.62 0.00 -1.17 -4.91 105.19 100.53 1cww n GLY 79 Ca 0.60 0.05 -0.27 0.00 0.00 0.00 0.00 46.02 46.39 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 -4.30 2.95 0.49 1.61 4.02 0.18 -4.72 117.16 117.40 1cww n TYR 80 Ca -0.16 -2.51 0.11 0.00 -0.01 0.00 0.00 57.90 55.32 1cww n TYR 80 Cb 0.64 -0.57 0.44 0.00 -0.02 0.00 0.00 39.34 39.83 1cww n TYR 80 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 1cww n LYS 81 N -0.72 0.14 -0.01 -0.72 2.85 -1.23 -2.51 118.16 115.96 1cww n LYS 81 Ca 0.48 0.33 -0.13 0.00 -1.05 0.00 0.00 58.31 57.94 1cww n LYS 81 Cb 0.83 -1.75 -0.10 0.00 -0.65 0.00 0.00 35.03 33.36 1cww n LYS 81 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 1cww h ASP 82 N 0.00 -0.04 -0.23 -5.58 3.58 -1.92 0.19 116.42 112.41 1cww h ASP 82 Ca 0.00 -0.57 -0.00 0.00 0.42 0.00 0.00 57.03 56.88 1cww h ASP 82 Cb 0.39 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 1cww h ASP 82 CO 0.00 0.58 0.13 0.25 -2.88 0.00 0.00 179.24 177.32 1cww h LEU 83 N -0.70 0.28 -1.37 2.28 7.12 -1.94 -1.46 115.31 119.52 1cww h LEU 83 Ca -0.01 -0.07 -0.00 0.00 0.13 0.00 0.00 57.88 57.93 1cww h LEU 83 Cb 0.61 -0.07 -0.03 0.00 -0.53 0.00 0.00 40.66 40.65 1cww h LEU 83 CO 0.01 0.26 0.32 0.00 -0.13 0.00 0.00 178.44 178.91 1cww h ALA 84 N 1.03 1.53 -0.43 1.25 0.00 -1.54 -1.41 119.26 119.68 1cww h ALA 84 Ca 0.08 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1cww h ALA 84 Cb 0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1cww h ALA 84 CO -0.01 0.41 -0.06 0.00 0.00 0.00 0.00 179.25 179.58 1cww h ALA 85 N 1.60 1.08 0.00 0.00 0.00 -0.03 0.98 119.26 122.89 1cww h ALA 85 Ca 0.20 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1cww h ALA 85 Cb -0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1cww h ALA 85 CO -0.04 0.57 -0.05 -0.07 0.00 0.00 0.00 179.25 179.67 1cww h LEU 86 N 0.69 0.00 0.00 0.00 3.38 -0.23 -1.87 115.31 117.28 1cww h LEU 86 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1cww h LEU 86 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1cww h LEU 86 CO 0.03 0.05 -1.45 0.18 0.09 0.00 0.00 178.44 177.33 1cww n LEU 87 N -3.48 0.44 0.26 1.67 4.77 -0.28 -4.15 117.00 116.23 1cww n LEU 87 Ca -0.02 -0.08 0.18 0.00 -0.03 0.00 0.00 56.01 56.06 1cww n LEU 87 Cb 0.16 -0.03 0.90 0.00 -2.33 0.00 0.00 43.42 42.12 1cww n LEU 87 CO 0.26 0.05 1.03 -0.74 -1.33 0.00 0.00 177.39 176.66 1cww h HIS 88 N 0.00 0.00 0.00 -1.77 2.76 -0.00 0.11 115.15 116.25 1cww h HIS 88 Ca 0.00 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.13 1cww h HIS 88 Cb 0.83 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.78 1cww h HIS 88 CO 0.00 0.00 -0.18 -0.44 -1.30 0.00 0.00 177.93 176.01 1cww h ASP 89 N 0.00 0.00 0.00 3.26 3.32 -1.72 -2.74 116.42 118.54 1cww h ASP 89 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1cww h ASP 89 Cb 0.11 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 1cww h ASP 89 CO 0.00 0.18 -1.88 0.61 -1.72 0.00 0.00 179.24 176.42 1cww n GLY 90 N -0.94 -0.88 3.66 2.75 0.00 0.31 -4.87 105.19 105.21 1cww n GLY 90 Ca -0.02 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.34 4.00 -1.18 -0.61 -1.09 -0.74 -4.49 121.20 113.75 1cww s ILE 91 Ca -0.07 1.20 0.19 0.00 -2.23 0.00 0.00 60.65 59.74 1cww s ILE 91 Cb 0.12 -3.79 0.23 0.00 -1.58 0.00 0.00 42.46 37.44 1cww s ILE 91 CO 0.80 -0.12 1.59 -2.65 -1.23 0.00 0.00 174.94 173.33 1cww n PRO 92 N 6.86 0.11 -2.75 2.79 -0.02 -1.26 -4.66 135.00 136.07 1cww n PRO 92 Ca 0.15 0.15 -0.43 0.00 -2.02 0.00 0.00 63.50 61.36 1cww n PRO 92 Cb 0.44 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.39 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 -2.82 4.39 -0.29 -1.45 1.01 -1.26 -4.89 120.40 115.09 1cww s VAL 93 Ca 0.13 0.90 0.11 0.00 0.00 0.00 0.00 61.98 63.12 1cww s VAL 93 Cb 0.12 -4.49 0.47 0.00 0.00 0.00 0.00 36.38 32.49 1cww s VAL 93 CO 0.32 -0.88 1.16 1.33 0.00 0.00 0.00 175.10 177.02 1cww n VAL 94 N 6.54 2.16 -2.85 2.92 0.24 -1.26 -4.89 118.33 121.20 1cww n VAL 94 Ca 0.08 -3.89 -0.03 0.00 -2.04 0.00 0.00 64.34 58.46 1cww n VAL 94 Cb 0.49 -0.47 0.01 0.00 -1.47 0.00 0.00 33.84 32.40 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 -3.64 -1.39 0.90 -1.34 0.15 -1.26 -5.16 113.70 101.95 1cww s SER 95 Ca 0.44 -1.45 -0.02 0.00 0.70 0.00 0.00 55.95 55.62 1cww s SER 95 Cb 0.39 1.81 0.03 0.00 -1.71 0.00 0.00 66.02 66.54 1cww s SER 95 CO 0.01 -0.07 0.16 -1.54 1.20 0.00 0.00 173.24 173.00 1cww n SER 96 N 3.23 0.04 -0.35 5.45 3.41 -1.26 -5.28 113.62 118.86 1cww n SER 96 Ca 0.16 -1.08 0.15 0.00 -0.26 0.00 0.00 58.87 57.84 1cww n SER 96 Cb 0.57 -0.12 0.64 0.00 -0.26 0.00 0.00 64.21 65.03 1cww n SER 96 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68