#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cww s PRO -4 N 0.00 4.18 0.08 1.61 0.02 -1.26 -5.00 135.00 134.63 1cww s PRO -4 Ca 0.00 2.28 0.09 0.00 0.02 0.00 0.00 61.00 63.39 1cww s PRO -4 Cb 0.00 -3.99 -0.04 0.00 0.02 0.00 0.00 34.50 30.50 1cww s PRO -4 CO 0.00 -0.86 -0.21 -0.48 -0.33 0.00 0.00 177.00 175.12 1cww s LEU -3 N 4.00 2.50 -0.99 -5.54 0.05 -1.26 -4.63 118.68 112.81 1cww s LEU -3 Ca 0.76 -0.56 0.00 0.00 0.05 0.00 0.00 54.13 54.38 1cww s LEU -3 Cb -0.36 -1.42 0.00 0.00 -2.05 0.00 0.00 46.19 42.36 1cww s LEU -3 CO 0.32 0.22 0.00 0.61 -0.55 0.00 0.00 176.35 176.95 1cww n GLY -2 N 1.23 0.06 3.63 -3.48 0.00 -1.26 -5.01 105.19 100.37 1cww n GLY -2 Ca -0.16 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 1cww n GLY -2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cww s SER -1 N -2.54 1.85 0.03 1.61 0.01 -1.26 -2.55 113.70 110.86 1cww s SER -1 Ca 0.00 0.99 -0.30 0.00 1.31 0.00 0.00 55.95 57.94 1cww s SER -1 Cb 0.00 -1.51 -0.07 0.00 0.21 0.00 0.00 66.02 64.65 1cww s SER -1 CO 0.00 -3.59 1.56 -0.32 0.41 0.00 0.00 173.24 171.31 1cww s MET 1 N -5.10 4.23 0.32 12.44 1.75 -1.26 -3.41 119.30 128.27 1cww s MET 1 Ca 0.67 2.18 -0.29 0.00 -1.25 0.00 0.00 55.69 57.01 1cww s MET 1 Cb -0.16 -3.63 -0.10 0.00 2.84 0.00 0.00 34.83 33.78 1cww s MET 1 CO 0.57 -0.69 1.30 0.34 -0.65 0.00 0.00 175.02 175.89 1cww s ASP 2 N 2.32 6.81 0.12 1.11 2.15 -1.26 -4.85 116.67 123.08 1cww s ASP 2 Ca 0.70 2.64 -0.18 0.00 0.43 0.00 0.00 52.55 56.14 1cww s ASP 2 Cb -0.36 -2.64 -0.04 0.00 -0.30 0.00 0.00 42.92 39.57 1cww s ASP 2 CO 0.30 -0.51 1.74 0.00 -0.17 0.00 0.00 175.17 176.53 1cww h ALA 3 N 3.58 0.36 -0.64 3.66 0.00 -1.97 0.61 119.26 124.85 1cww h ALA 3 Ca -0.48 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 1cww h ALA 3 Cb 1.22 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1cww h ALA 3 CO 0.67 -0.13 0.26 -0.22 0.00 0.00 0.00 179.25 179.83 1cww h LYS 4 N 0.35 0.93 0.49 0.00 1.63 -1.94 0.81 116.57 118.84 1cww h LYS 4 Ca 0.10 -0.15 -0.02 0.00 -0.85 0.00 0.00 60.65 59.73 1cww h LYS 4 Cb 0.04 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.51 1cww h LYS 4 CO -0.02 0.76 -0.24 0.00 -3.45 0.00 0.00 179.45 176.50 1cww h ALA 5 N 1.37 -0.75 -0.71 5.00 0.00 -1.65 -1.70 119.26 120.82 1cww h ALA 5 Ca 0.22 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 55.12 1cww h ALA 5 Cb 0.17 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1cww h ALA 5 CO -0.02 -0.70 0.48 -0.09 0.00 0.00 0.00 179.25 178.92 1cww h ARG 6 N -1.03 0.37 -0.01 0.00 2.43 0.26 -2.22 114.38 114.16 1cww h ARG 6 Ca -0.07 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 1cww h ARG 6 Cb 0.51 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1cww h ARG 6 CO 0.11 0.24 -0.04 -0.91 -1.51 0.00 0.00 179.97 177.86 1cww h ASN 7 N 0.38 0.05 -0.51 -3.80 2.35 -0.87 -1.83 115.58 111.36 1cww h ASN 7 Ca 0.34 -0.65 0.15 0.00 -0.55 0.00 0.00 56.30 55.59 1cww h ASN 7 Cb 0.81 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 39.14 1cww h ASN 7 CO -0.10 0.70 0.51 0.00 -1.65 0.00 0.00 177.43 176.89 1cww h LEU 9 N 0.00 -0.00 -0.14 0.00 5.85 -1.37 -3.28 115.31 116.37 1cww h LEU 9 Ca 0.24 -0.17 -0.24 0.00 0.84 0.00 0.00 57.88 58.55 1cww h LEU 9 Cb 1.26 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.30 1cww h LEU 9 CO -0.00 0.58 -0.92 -0.07 -0.34 0.00 0.00 178.44 177.69 1cww h LEU 10 N -1.00 0.73 -1.74 2.25 3.38 -0.47 -3.24 115.31 115.22 1cww h LEU 10 Ca -0.00 -0.56 0.02 0.00 0.09 0.00 0.00 57.88 57.44 1cww h LEU 10 Cb 0.18 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1cww h LEU 10 CO 0.00 1.35 0.21 -0.61 0.09 0.00 0.00 178.44 179.48 1cww h GLN 11 N 0.35 0.33 -1.94 1.13 4.15 0.13 -1.60 115.11 117.66 1cww h GLN 11 Ca -0.09 -0.02 -0.14 0.00 0.77 0.00 0.00 58.65 59.17 1cww h GLN 11 Cb 1.56 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 29.12 1cww h GLN 11 CO 0.17 0.22 -0.04 0.72 -1.93 0.00 0.00 178.83 177.98 1cww n HIS 12 N -4.49 0.32 0.33 3.99 8.25 -1.22 -4.23 115.22 118.17 1cww n HIS 12 Ca 0.02 -1.35 0.03 0.00 -0.26 0.00 0.00 57.72 56.16 1cww n HIS 12 Cb 0.13 -0.97 0.17 0.00 1.12 0.00 0.00 29.99 30.45 1cww n HIS 12 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1cww n ARG 13 N 1.61 0.10 0.06 -0.41 -4.01 -0.61 -0.14 116.66 113.27 1cww n ARG 13 Ca 0.21 0.21 0.03 0.00 -1.04 0.00 0.00 57.85 57.26 1cww n ARG 13 Cb 0.64 -1.50 0.41 0.00 -3.04 0.00 0.00 32.46 28.98 1cww n ARG 13 CO 0.00 0.00 0.00 0.93 -3.04 0.00 0.00 177.63 175.52 1cww h GLU 14 N 0.00 0.40 0.00 2.89 5.08 -1.87 -3.19 114.58 117.90 1cww h GLU 14 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1cww h GLU 14 Cb 0.06 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1cww h GLU 14 CO 0.00 0.36 0.00 0.00 -1.00 0.00 0.00 179.01 178.37 1cww n ALA 15 N -2.49 1.28 -1.00 3.43 0.00 0.25 -4.79 120.51 117.20 1cww n ALA 15 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1cww n ALA 15 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.28 0.00 0.08 0.00 7.94 0.80 0.26 117.00 125.81 1cww n LEU 16 Ca 0.00 0.50 0.18 0.00 -1.11 0.00 0.00 56.01 55.57 1cww n LEU 16 Cb 0.06 0.00 0.71 0.00 0.53 0.00 0.00 43.42 44.71 1cww n LEU 16 CO 0.00 0.00 1.16 -0.08 -1.11 0.00 0.00 177.39 177.36 1cww h GLU 17 N 0.00 0.00 -0.19 1.96 4.81 -1.87 0.43 114.58 119.72 1cww h GLU 17 Ca 0.00 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.02 1cww h GLU 17 Cb 0.00 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.39 1cww h GLU 17 CO 0.00 0.00 -0.68 -0.22 -0.73 0.00 0.00 179.01 177.38 1cww h LYS 18 N 0.00 0.80 0.00 1.92 1.63 -1.78 -3.39 116.57 115.75 1cww h LYS 18 Ca 0.18 -0.61 0.00 0.00 -0.85 0.00 0.00 60.65 59.37 1cww h LYS 18 Cb 0.77 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.51 1cww h LYS 18 CO -0.00 1.22 -0.50 -3.47 -3.45 0.00 0.00 179.45 173.25 1cww n ASP 19 N -3.99 2.20 -4.57 4.20 2.03 0.14 -4.95 116.55 111.60 1cww n ASP 19 Ca -0.07 -0.28 -0.41 0.00 0.52 0.00 0.00 54.79 54.55 1cww n ASP 19 Cb 0.70 1.02 -0.03 0.00 -0.72 0.00 0.00 41.12 42.09 1cww n ASP 19 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1cww s ILE 20 N -1.53 3.49 0.50 5.18 1.01 0.15 -4.97 121.20 125.04 1cww s ILE 20 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 60.65 61.06 1cww s ILE 20 Cb 0.01 -3.93 0.01 0.00 0.01 0.00 0.00 42.46 38.56 1cww s ILE 20 CO 0.04 -0.77 0.73 -0.54 0.00 0.00 0.00 174.94 174.40 1cww s LYS 21 N 6.23 2.82 0.00 2.79 3.01 -1.26 -4.85 119.74 128.48 1cww s LYS 21 Ca 0.69 -0.58 0.00 0.00 -1.01 0.00 0.00 55.97 55.06 1cww s LYS 21 Cb -0.16 -2.51 0.00 0.00 -1.01 0.00 0.00 37.83 34.16 1cww s LYS 21 CO 0.26 -0.49 0.00 -2.37 0.51 0.00 0.00 175.35 173.26 1cww n THR 22 N -2.23 0.00 0.00 2.17 5.66 -1.26 -4.72 114.28 113.90 1cww n THR 22 Ca 0.04 -0.32 0.00 0.00 -3.05 0.00 0.00 64.05 60.72 1cww n THR 22 Cb 0.59 0.87 0.00 0.00 -1.55 0.00 0.00 70.33 70.23 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 -0.92 0.00 0.20 1.09 7.64 -1.26 -3.15 113.62 117.22 1cww n SER 23 Ca 0.00 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.93 1cww n SER 23 Cb 0.00 0.00 0.43 0.00 -1.01 0.00 0.00 64.21 63.63 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 0.00 -0.74 1.43 -1.99 -1.99 -2.48 116.97 111.20 1cww h TYR 24 Ca 0.00 0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.75 1cww h TYR 24 Cb 0.00 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.69 1cww h TYR 24 CO 0.00 0.31 0.48 0.82 -0.00 0.00 0.00 178.16 179.77 1cww h ILE 25 N 0.00 1.16 0.00 -2.88 2.04 -1.84 -0.41 117.51 115.58 1cww h ILE 25 Ca -0.00 -0.33 -0.14 0.00 1.00 0.00 0.00 64.86 65.38 1cww h ILE 25 Cb 0.60 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 1cww h ILE 25 CO 0.04 0.18 -0.69 -0.03 0.00 0.00 0.00 178.15 177.65 1cww h MET 26 N 0.97 0.00 -0.68 2.37 4.05 -1.46 -2.64 114.93 117.54 1cww h MET 26 Ca 0.28 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.68 1cww h MET 26 Cb -0.06 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.71 1cww h MET 26 CO -0.08 0.69 0.33 0.22 0.23 0.00 0.00 176.91 178.30 1cww h ASP 27 N 0.00 0.90 0.77 1.39 3.58 -0.77 -0.09 116.42 122.19 1cww h ASP 27 Ca -0.01 -0.13 -0.08 0.00 0.42 0.00 0.00 57.03 57.23 1cww h ASP 27 Cb 1.25 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 42.06 1cww h ASP 27 CO 0.09 0.78 -0.37 0.45 -2.88 0.00 0.00 179.24 177.31 1cww h HIS 28 N 0.95 0.00 0.08 0.28 3.86 -1.06 -1.64 115.15 117.62 1cww h HIS 28 Ca 0.23 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 59.20 1cww h HIS 28 Cb 0.12 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.59 1cww h HIS 28 CO 0.01 0.37 -1.12 0.52 0.86 0.00 0.00 177.93 178.57 1cww h MET 29 N 0.00 0.24 0.08 2.45 2.86 -0.97 -1.58 114.93 118.01 1cww h MET 29 Ca -0.00 -0.36 -0.28 0.00 -2.06 0.00 0.00 59.70 57.00 1cww h MET 29 Cb 0.85 0.13 0.02 0.00 0.06 0.00 0.00 31.60 32.66 1cww h MET 29 CO 0.05 1.14 -1.17 0.82 1.06 0.00 0.00 176.91 178.81 1cww h ILE 30 N 0.09 1.31 0.00 -1.22 2.04 -0.97 -2.11 117.51 116.65 1cww h ILE 30 Ca -0.10 -2.45 -0.06 0.00 1.00 0.00 0.00 64.86 63.25 1cww h ILE 30 Cb 1.83 2.60 -0.01 0.00 -0.74 0.00 0.00 36.82 40.50 1cww h ILE 30 CO 0.18 0.74 -0.29 0.77 0.00 0.00 0.00 178.15 179.55 1cww h SER 31 N 0.29 0.00 0.85 1.72 4.64 -1.38 -0.55 113.55 119.12 1cww h SER 31 Ca -0.16 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.10 1cww h SER 31 Cb 1.83 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.91 1cww h SER 31 CO 0.22 0.29 -0.28 -0.78 -0.87 0.00 0.00 176.83 175.42 1cww h ASP 32 N 0.00 0.00 0.00 4.97 3.58 -1.15 -3.47 116.42 120.35 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 0.67 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.72 1cww h ASP 32 CO 0.04 0.28 0.00 0.61 -2.88 0.00 0.00 179.24 177.28 1cww n GLY 33 N 0.12 0.70 0.09 -0.78 0.00 -0.21 -4.94 105.19 100.17 1cww n GLY 33 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.16 -3.71 1.61 -1.00 -1.61 -3.43 116.94 108.96 1cww h PHE 34 Ca 0.00 -0.12 -0.66 0.00 2.81 0.00 0.00 57.97 60.00 1cww h PHE 34 Cb 0.00 -0.01 -0.17 0.00 3.61 0.00 0.00 35.95 39.38 1cww h PHE 34 CO 0.00 1.15 -0.37 -0.51 -1.61 0.00 0.00 178.31 176.98 1cww s LEU 35 N -6.57 4.39 0.94 1.54 1.02 -0.94 -5.00 118.68 114.06 1cww s LEU 35 Ca -0.05 -0.23 -0.15 0.00 0.02 0.00 0.00 54.13 53.71 1cww s LEU 35 Cb 0.08 -2.26 0.19 0.00 0.02 0.00 0.00 46.19 44.22 1cww s LEU 35 CO 0.83 -0.27 1.30 -0.89 0.02 0.00 0.00 176.35 177.35 1cww s THR 36 N 1.90 2.00 0.37 5.49 2.01 -1.26 -4.39 115.64 121.76 1cww s THR 36 Ca 0.10 -0.01 0.05 0.00 0.31 0.00 0.00 61.69 62.13 1cww s THR 36 Cb -0.17 -2.99 0.23 0.00 0.01 0.00 0.00 72.50 69.58 1cww s THR 36 CO 0.11 0.00 1.99 0.40 -0.69 0.00 0.00 174.62 176.43 1cww h ILE 37 N -1.56 1.15 -0.41 1.82 2.04 -1.97 0.19 117.51 118.76 1cww h ILE 37 Ca -0.44 -0.39 -0.06 0.00 1.00 0.00 0.00 64.86 64.96 1cww h ILE 37 Cb 1.24 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1cww h ILE 37 CO 0.41 0.17 0.01 -1.28 0.00 0.00 0.00 178.15 177.46 1cww h SER 38 N 0.64 0.70 -0.02 1.72 0.87 -1.99 0.16 113.55 115.64 1cww h SER 38 Ca 0.16 -0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 1cww h SER 38 Cb 0.04 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 61.81 1cww h SER 38 CO -0.03 0.83 -0.00 -0.33 -0.53 0.00 0.00 176.83 176.76 1cww h GLU 39 N 0.55 -0.00 -0.62 2.24 3.07 -1.59 -1.87 114.58 116.35 1cww h GLU 39 Ca 0.12 0.00 0.06 0.00 -0.50 0.00 0.00 59.36 59.04 1cww h GLU 39 Cb 0.46 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.31 1cww h GLU 39 CO 0.02 -0.00 0.32 1.49 -1.40 0.00 0.00 179.01 179.44 1cww h GLU 40 N -0.00 0.58 0.12 2.33 4.81 -0.51 -2.79 114.58 119.12 1cww h GLU 40 Ca 0.01 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1cww h GLU 40 Cb 0.01 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 1cww h GLU 40 CO -0.02 0.38 -0.18 1.49 -0.73 0.00 0.00 179.01 179.95 1cww h GLU 41 N 0.60 -0.35 0.31 1.92 4.57 -0.24 -0.32 114.58 121.07 1cww h GLU 41 Ca 0.28 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.49 1cww h GLU 41 Cb 0.21 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.85 1cww h GLU 41 CO -0.20 -0.23 -0.36 0.87 -1.18 0.00 0.00 179.01 177.91 1cww h LYS 42 N -0.36 -0.69 -0.50 1.92 1.57 -1.14 0.78 116.57 118.16 1cww h LYS 42 Ca 0.02 0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.89 1cww h LYS 42 Cb 0.37 0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.79 1cww h LYS 42 CO -0.09 -0.46 0.25 0.28 -0.57 0.00 0.00 179.45 178.86 1cww h VAL 43 N -0.72 0.96 0.00 0.50 2.07 -1.48 -1.82 116.25 115.76 1cww h VAL 43 Ca -0.01 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 1cww h VAL 43 Cb 0.66 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1cww h VAL 43 CO -0.10 0.09 -0.24 -0.09 0.02 0.00 0.00 177.57 177.25 1cww h ARG 44 N 0.50 0.00 -0.86 1.57 2.43 -0.82 -3.10 114.38 114.10 1cww h ARG 44 Ca 0.22 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1cww h ARG 44 Cb 0.12 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 1cww h ARG 44 CO -0.15 0.24 0.52 -0.91 -1.51 0.00 0.00 179.97 178.16 1cww h ASN 45 N 0.00 1.03 -4.00 -3.80 -0.26 0.15 -3.42 115.58 105.27 1cww h ASN 45 Ca -0.00 -0.06 -0.54 0.00 -0.56 0.00 0.00 56.30 55.14 1cww h ASN 45 Cb 0.88 -0.26 0.11 0.00 -1.06 0.00 0.00 38.32 37.98 1cww h ASN 45 CO 0.03 0.79 0.61 -1.61 -1.06 0.00 0.00 177.43 176.19 1cww s GLU 46 N -5.88 3.56 0.05 0.81 0.41 -1.14 -4.97 118.70 111.56 1cww s GLU 46 Ca -0.12 2.18 -0.16 0.00 -0.41 0.00 0.00 54.97 56.46 1cww s GLU 46 Cb 0.17 -2.49 -0.21 0.00 -1.78 0.00 0.00 34.13 29.82 1cww s GLU 46 CO 0.81 -0.83 1.19 -1.35 -0.49 0.00 0.00 175.26 174.59 1cww h PRO 47 N 2.04 0.60 -5.00 0.39 0.11 -1.88 -3.44 132.00 124.82 1cww h PRO 47 Ca -0.50 -0.58 -0.54 0.00 0.11 0.00 0.00 66.00 64.49 1cww h PRO 47 Cb 1.27 0.15 -0.13 0.00 0.11 0.00 0.00 31.00 32.40 1cww h PRO 47 CO 0.60 1.20 -0.51 0.95 -0.21 0.00 0.00 178.00 180.03 1cww s THR 48 N -3.43 0.45 0.63 -1.15 -4.23 -1.26 -4.99 115.64 101.66 1cww s THR 48 Ca -0.11 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.69 1cww s THR 48 Cb 0.06 -2.37 0.29 0.00 1.34 0.00 0.00 72.50 71.82 1cww s THR 48 CO 0.87 0.00 1.90 -0.61 -0.54 0.00 0.00 174.62 176.24 1cww h GLN 49 N 1.87 0.00 0.00 3.99 5.75 -1.95 0.83 115.11 125.61 1cww h GLN 49 Ca -0.33 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.17 1cww h GLN 49 Cb 1.26 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.81 1cww h GLN 49 CO 0.52 0.00 0.00 0.94 -2.65 0.00 0.00 178.83 177.64 1cww n GLN 50 N -2.85 0.00 0.02 1.69 7.27 -1.26 -0.94 117.38 121.31 1cww n GLN 50 Ca -0.02 0.28 0.12 0.00 0.07 0.00 0.00 57.00 57.45 1cww n GLN 50 Cb 0.37 -0.96 0.30 0.00 2.41 0.00 0.00 30.24 32.35 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 -0.74 0.08 0.20 3.69 6.02 -1.14 -2.66 117.38 122.83 1cww n GLN 51 Ca 0.00 0.03 -0.10 0.00 -0.01 0.00 0.00 57.00 56.92 1cww n GLN 51 Cb 0.00 -1.55 -0.05 0.00 1.02 0.00 0.00 30.24 29.66 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 0.00 -0.56 -0.66 -1.09 2.43 -0.82 0.21 114.38 113.88 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 0.57 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.22 1cww h ARG 52 CO 0.00 -0.35 0.18 0.00 -1.51 0.00 0.00 179.97 178.29 1cww h ALA 53 N -1.08 0.87 -0.31 2.80 0.00 -1.19 -1.42 119.26 118.93 1cww h ALA 53 Ca -0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1cww h ALA 53 Cb 0.47 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1cww h ALA 53 CO 0.10 0.57 0.16 0.00 0.00 0.00 0.00 179.25 180.08 1cww h ALA 54 N 1.07 1.72 -0.10 0.00 0.00 -1.54 -1.09 119.26 119.32 1cww h ALA 54 Ca 0.21 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.86 1cww h ALA 54 Cb 0.34 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1cww h ALA 54 CO -0.00 0.24 -0.78 1.98 0.00 0.00 0.00 179.25 180.69 1cww h MET 55 N 0.42 0.56 -0.02 0.00 -1.53 0.20 0.41 114.93 114.96 1cww h MET 55 Ca 0.11 -0.47 -0.00 0.00 -3.44 0.00 0.00 59.70 55.90 1cww h MET 55 Cb 0.02 0.10 -0.00 0.00 -0.55 0.00 0.00 31.60 31.17 1cww h MET 55 CO -0.02 1.10 0.01 1.25 0.14 0.00 0.00 176.91 179.39 1cww h LEU 56 N 0.37 0.02 -1.02 3.39 5.85 -0.60 0.20 115.31 123.52 1cww h LEU 56 Ca -0.05 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.56 1cww h LEU 56 Cb 1.38 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.39 1cww h LEU 56 CO 0.14 0.05 -0.11 0.40 -0.34 0.00 0.00 178.44 178.59 1cww h ILE 57 N -0.01 1.24 -0.03 4.05 2.04 -1.19 -2.43 117.51 121.18 1cww h ILE 57 Ca 0.01 -1.04 -0.07 0.00 1.00 0.00 0.00 64.86 64.76 1cww h ILE 57 Cb 0.03 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1cww h ILE 57 CO -0.00 0.35 -0.29 0.50 0.00 0.00 0.00 178.15 178.70 1cww h LYS 58 N 0.53 0.06 -0.13 2.37 3.64 0.54 -2.04 116.57 121.53 1cww h LYS 58 Ca 0.10 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1cww h LYS 58 Cb 0.51 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1cww h LYS 58 CO 0.03 0.35 -0.06 0.52 -2.27 0.00 0.00 179.45 178.02 1cww h MET 59 N 0.06 0.28 -0.18 1.90 2.86 -0.15 -2.65 114.93 117.04 1cww h MET 59 Ca 0.01 -0.12 0.05 0.00 -2.06 0.00 0.00 59.70 57.58 1cww h MET 59 Cb 0.55 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 1cww h MET 59 CO 0.04 0.61 0.18 0.82 1.06 0.00 0.00 176.91 179.62 1cww h ILE 60 N -0.06 0.57 -0.75 -1.22 1.08 -1.22 -1.19 117.51 114.72 1cww h ILE 60 Ca 0.03 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.69 1cww h ILE 60 Cb 0.53 0.86 -0.04 0.00 -3.07 0.00 0.00 36.82 35.10 1cww h ILE 60 CO 0.02 0.00 0.52 -0.07 -0.69 0.00 0.00 178.15 177.93 1cww h LEU 61 N 0.00 0.19 -5.04 1.44 -0.00 -1.00 -3.09 115.31 107.80 1cww h LEU 61 Ca 0.09 0.01 -0.36 0.00 -0.00 0.00 0.00 57.88 57.62 1cww h LEU 61 Cb 0.44 -0.02 -0.40 0.00 -0.00 0.00 0.00 40.66 40.68 1cww h LEU 61 CO -0.00 0.09 -1.19 1.17 -0.00 0.00 0.00 178.44 178.51 1cww n LYS 62 N -4.41 1.13 0.00 1.13 0.00 -0.46 -5.06 118.16 110.50 1cww n LYS 62 Ca 0.15 -3.24 0.00 0.00 0.00 0.00 0.00 58.31 55.22 1cww n LYS 62 Cb 0.68 -1.24 0.00 0.00 0.00 0.00 0.00 35.03 34.47 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 -0.05 0.00 -4.03 1.64 3.00 -1.13 -5.07 118.16 112.51 1cww n LYS 63 Ca 0.10 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.28 1cww n LYS 63 Cb 0.81 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.81 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 -0.24 0.48 0.17 3.14 1.01 -1.26 -4.28 116.67 115.69 1cww s ASP 64 Ca 0.00 -1.28 -0.15 0.00 0.71 0.00 0.00 52.55 51.84 1cww s ASP 64 Cb 0.00 0.66 0.11 0.00 1.01 0.00 0.00 42.92 44.69 1cww s ASP 64 CO 0.00 -1.29 1.75 -1.13 0.21 0.00 0.00 175.17 174.71 1cww h ASN 65 N 2.15 0.17 -0.25 0.27 -0.73 -1.51 0.18 115.58 115.86 1cww h ASN 65 Ca -0.28 0.05 0.05 0.00 1.87 0.00 0.00 56.30 57.98 1cww h ASN 65 Cb 1.24 0.03 -0.05 0.00 0.27 0.00 0.00 38.32 39.81 1cww h ASN 65 CO 0.38 0.13 -0.07 -0.78 -0.37 0.00 0.00 177.43 176.73 1cww h ASP 66 N 0.33 -0.25 0.14 1.15 3.58 -1.90 0.17 116.42 119.64 1cww h ASP 66 Ca 0.19 0.08 -0.11 0.00 0.42 0.00 0.00 57.03 57.62 1cww h ASP 66 Cb 0.17 0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 1cww h ASP 66 CO -0.19 -0.09 -0.37 0.28 -2.88 0.00 0.00 179.24 175.98 1cww h SER 67 N -0.01 0.34 -0.36 2.28 0.02 -1.84 -1.86 113.55 112.11 1cww h SER 67 Ca 0.12 -0.13 -0.09 0.00 -0.84 0.00 0.00 61.79 60.85 1cww h SER 67 Cb 0.19 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1cww h SER 67 CO -0.26 0.69 -0.13 0.22 -1.14 0.00 0.00 176.83 176.20 1cww h TYR 68 N 0.28 0.83 0.00 3.45 3.20 0.12 0.53 116.97 125.38 1cww h TYR 68 Ca 0.03 -0.19 -0.05 0.00 3.14 0.00 0.00 58.73 61.65 1cww h TYR 68 Cb 0.79 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 1cww h TYR 68 CO 0.02 0.90 -0.25 0.28 -1.64 0.00 0.00 178.16 177.46 1cww h VAL 69 N 0.52 0.98 0.08 1.81 2.07 -0.54 0.48 116.25 121.65 1cww h VAL 69 Ca 0.09 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 1cww h VAL 69 Cb 0.66 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1cww h VAL 69 CO 0.04 0.25 -0.04 -1.28 0.02 0.00 0.00 177.57 176.56 1cww h SER 70 N 0.00 -0.09 -0.86 0.57 0.87 -0.72 0.28 113.55 113.60 1cww h SER 70 Ca -0.00 -0.44 0.10 0.00 -1.23 0.00 0.00 61.79 60.21 1cww h SER 70 Cb 0.51 0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 62.44 1cww h SER 70 CO 0.03 0.42 0.56 0.15 -0.53 0.00 0.00 176.83 177.46 1cww h PHE 71 N -0.65 0.89 0.19 2.24 3.57 0.55 0.18 116.94 123.91 1cww h PHE 71 Ca -0.01 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1cww h PHE 71 Cb 0.53 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.98 1cww h PHE 71 CO 0.09 0.42 -0.09 -0.92 -2.23 0.00 0.00 178.31 175.58 1cww h TYR 72 N 0.83 -0.23 -0.39 0.41 3.20 0.12 -2.28 116.97 118.63 1cww h TYR 72 Ca 0.39 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.25 1cww h TYR 72 Cb 0.41 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 1cww h TYR 72 CO -0.00 -0.10 0.20 -0.97 -1.64 0.00 0.00 178.16 175.64 1cww h ASN 73 N -0.30 0.47 -0.04 -2.11 -1.24 0.66 -1.44 115.58 111.58 1cww h ASN 73 Ca -0.03 -0.03 -0.06 0.00 0.71 0.00 0.00 56.30 56.89 1cww h ASN 73 Cb 0.24 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.15 1cww h ASN 73 CO 0.04 0.40 -0.13 0.00 -1.29 0.00 0.00 177.43 176.45 1cww h ALA 74 N 1.68 1.38 -0.71 1.57 0.00 -0.35 -1.29 119.26 121.54 1cww h ALA 74 Ca 0.14 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1cww h ALA 74 Cb 0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1cww h ALA 74 CO -0.02 0.42 0.20 -0.07 0.00 0.00 0.00 179.25 179.78 1cww h LEU 75 N 0.33 1.05 -1.53 0.00 3.38 -0.70 -1.21 115.31 116.63 1cww h LEU 75 Ca 0.06 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1cww h LEU 75 Cb 0.44 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1cww h LEU 75 CO 0.03 0.99 -0.15 -0.07 0.09 0.00 0.00 178.44 179.33 1cww h LEU 76 N 1.06 0.00 -0.64 1.67 4.07 -1.13 0.36 115.31 120.70 1cww h LEU 76 Ca 0.23 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 58.10 1cww h LEU 76 Cb 0.33 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.06 1cww h LEU 76 CO -0.00 0.15 -0.39 0.45 -1.08 0.00 0.00 178.44 177.57 1cww h HIS 77 N 0.00 0.00 -0.67 1.13 3.86 -0.13 -3.25 115.15 116.09 1cww h HIS 77 Ca -0.00 0.00 -0.48 0.00 -1.16 0.00 0.00 60.37 58.73 1cww h HIS 77 Cb 0.54 0.00 -0.34 0.00 1.06 0.00 0.00 27.41 28.67 1cww h HIS 77 CO 0.00 0.39 -0.49 0.39 0.86 0.00 0.00 177.93 179.08 1cww n GLU 78 N -3.39 3.12 -1.64 2.45 -0.58 -0.91 -4.95 120.64 114.74 1cww n GLU 78 Ca 0.01 -3.87 -0.19 0.00 -0.42 0.00 0.00 57.16 52.68 1cww n GLU 78 Cb 0.57 -2.17 -0.07 0.00 -0.57 0.00 0.00 31.44 29.20 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 -0.82 1.57 2.86 0.62 0.00 -1.16 -4.87 105.19 103.39 1cww n GLY 79 Ca 0.43 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.43 3.01 0.14 1.61 4.01 0.12 -4.67 117.16 118.96 1cww n TYR 80 Ca -0.19 -2.42 0.01 0.00 -0.16 0.00 0.00 57.90 55.13 1cww n TYR 80 Cb 0.63 -1.09 0.32 0.00 -0.31 0.00 0.00 39.34 38.89 1cww n TYR 80 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1cww h LYS 81 N 3.06 0.13 0.06 -0.72 3.64 -1.89 -2.83 116.57 118.03 1cww h LYS 81 Ca 0.54 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.87 1cww h LYS 81 Cb 0.12 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1cww h LYS 81 CO 1.36 0.45 -0.03 0.22 -2.27 0.00 0.00 179.45 179.19 1cww h ASP 82 N 0.12 -0.07 -0.21 4.20 3.58 -1.94 0.20 116.42 122.29 1cww h ASP 82 Ca 0.01 -0.21 -0.00 0.00 0.42 0.00 0.00 57.03 57.25 1cww h ASP 82 Cb 0.65 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.70 1cww h ASP 82 CO 0.05 0.18 0.12 0.25 -2.88 0.00 0.00 179.24 176.95 1cww h LEU 83 N -0.32 0.25 -1.36 2.28 7.12 -1.95 -1.50 115.31 119.84 1cww h LEU 83 Ca -0.01 -0.07 0.03 0.00 0.13 0.00 0.00 57.88 57.96 1cww h LEU 83 Cb 0.28 -0.06 -0.04 0.00 -0.53 0.00 0.00 40.66 40.31 1cww h LEU 83 CO 0.01 0.26 0.45 0.00 -0.13 0.00 0.00 178.44 179.03 1cww h ALA 84 N 1.01 1.60 -0.45 1.25 0.00 -1.46 -0.61 119.26 120.59 1cww h ALA 84 Ca 0.07 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1cww h ALA 84 Cb 0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1cww h ALA 84 CO -0.01 0.34 0.02 0.00 0.00 0.00 0.00 179.25 179.59 1cww h ALA 85 N 1.60 1.18 0.00 0.00 0.00 -0.00 0.30 119.26 122.34 1cww h ALA 85 Ca 0.27 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1cww h ALA 85 Cb 0.04 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1cww h ALA 85 CO -0.07 0.54 -0.03 -0.07 0.00 0.00 0.00 179.25 179.62 1cww h LEU 86 N 0.69 0.00 0.00 0.00 3.38 -0.10 -1.66 115.31 117.62 1cww h LEU 86 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1cww h LEU 86 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1cww h LEU 86 CO 0.01 0.03 -1.64 0.18 0.09 0.00 0.00 178.44 177.12 1cww n LEU 87 N -3.40 0.31 0.24 1.67 4.77 -0.04 -4.39 117.00 116.16 1cww n LEU 87 Ca -0.02 -0.16 0.18 0.00 -0.03 0.00 0.00 56.01 55.98 1cww n LEU 87 Cb 0.14 0.00 0.87 0.00 -2.33 0.00 0.00 43.42 42.10 1cww n LEU 87 CO 0.25 0.08 1.15 -0.74 -1.33 0.00 0.00 177.39 176.80 1cww h HIS 88 N 0.00 0.00 -0.91 -1.77 2.76 0.51 -0.34 115.15 115.40 1cww h HIS 88 Ca 0.00 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.19 1cww h HIS 88 Cb 0.80 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.71 1cww h HIS 88 CO 0.00 0.00 0.59 0.22 -1.30 0.00 0.00 177.93 177.44 1cww h ASP 89 N 0.00 1.01 1.31 3.26 1.82 -1.77 -2.15 116.42 119.91 1cww h ASP 89 Ca 0.07 -0.02 -0.07 0.00 -0.39 0.00 0.00 57.03 56.62 1cww h ASP 89 Cb 0.54 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 40.30 1cww h ASP 89 CO -0.00 0.71 -0.71 1.23 -1.61 0.00 0.00 179.24 178.86 1cww h GLY 90 N 1.18 0.00 -6.19 -0.78 0.00 -1.28 -3.44 103.07 92.56 1cww h GLY 90 Ca 0.35 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 47.11 1cww h GLY 90 CO -0.10 0.00 0.88 -0.42 0.00 0.00 0.00 176.54 176.90 1cww s ILE 91 N -3.12 4.36 -0.56 2.60 -1.09 -0.81 -4.43 121.20 118.16 1cww s ILE 91 Ca 0.02 1.47 0.00 0.00 -2.23 0.00 0.00 60.65 59.92 1cww s ILE 91 Cb 0.08 -4.51 0.03 0.00 -1.58 0.00 0.00 42.46 36.48 1cww s ILE 91 CO 0.75 -0.74 0.76 -0.81 -1.23 0.00 0.00 174.94 173.67 1cww n PRO 92 N 7.34 1.11 -4.21 2.79 -0.04 -1.26 -4.84 135.00 135.89 1cww n PRO 92 Ca 0.12 -0.13 -0.13 0.00 -0.04 0.00 0.00 63.50 63.32 1cww n PRO 92 Cb 0.48 -1.32 -0.10 0.00 -0.04 0.00 0.00 33.50 32.51 1cww n PRO 92 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1cww s VAL 93 N -0.67 1.00 -0.58 0.52 -7.23 -1.26 -5.08 120.40 107.10 1cww s VAL 93 Ca 0.02 -1.91 0.06 0.00 -1.81 0.00 0.00 61.98 58.34 1cww s VAL 93 Cb 0.02 -1.67 0.25 0.00 0.56 0.00 0.00 36.38 35.54 1cww s VAL 93 CO 0.01 -0.72 0.69 0.52 -0.31 0.00 0.00 175.10 175.29 1cww n VAL 94 N 0.05 1.61 0.00 1.32 0.31 -1.26 -4.95 118.33 115.41 1cww n VAL 94 Ca -0.12 -4.93 0.00 0.00 -0.01 0.00 0.00 64.34 59.28 1cww n VAL 94 Cb 0.60 -2.07 0.00 0.00 -0.91 0.00 0.00 33.84 31.46 1cww n VAL 94 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1cww n SER 95 N 0.99 0.00 -1.59 4.52 2.88 -1.26 -4.71 113.62 114.44 1cww n SER 95 Ca 0.28 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.64 1cww n SER 95 Cb 0.44 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.84 1cww n SER 95 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1cww n SER 96 N 3.54 -5.22 -0.09 -3.46 7.64 -1.26 -5.19 113.62 109.57 1cww n SER 96 Ca 0.00 0.31 0.01 0.00 1.01 0.00 0.00 58.87 60.20 1cww n SER 96 Cb 0.00 -4.31 0.01 0.00 -1.01 0.00 0.00 64.21 58.90 1cww n SER 96 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83