#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 4.29 -0.22 1.61 0.02 -1.26 -5.00 135.00 134.44 1cww s PRO -4 Ca 0.00 1.99 -0.04 0.00 0.02 0.00 0.00 61.00 62.97 1cww s PRO -4 Cb 0.00 -3.51 0.10 0.00 0.02 0.00 0.00 34.50 31.11 1cww s PRO -4 CO 0.00 -0.54 0.24 -1.17 -0.33 0.00 0.00 177.00 175.20 1cww s LEU -3 N 2.14 -0.17 0.00 -5.54 1.98 -1.26 -5.13 118.68 110.70 1cww s LEU -3 Ca 0.64 -0.23 0.00 0.00 -2.89 0.00 0.00 54.13 51.65 1cww s LEU -3 Cb -0.32 0.46 0.00 0.00 0.66 0.00 0.00 46.19 46.99 1cww s LEU -3 CO 0.27 -0.33 0.00 0.61 -1.89 0.00 0.00 176.35 175.01 1cww n GLY -2 N 5.32 -1.59 3.94 7.98 0.00 -1.26 -5.15 105.19 114.42 1cww n GLY -2 Ca -0.05 -1.22 -0.28 0.00 0.00 0.00 0.00 46.02 44.47 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 -3.41 3.68 0.98 1.61 0.01 -1.24 -4.33 113.70 111.00 1cww s SER -1 Ca 0.00 0.26 -0.04 0.00 1.31 0.00 0.00 55.95 57.49 1cww s SER -1 Cb 0.00 -0.48 0.05 0.00 0.21 0.00 0.00 66.02 65.80 1cww s SER -1 CO 0.00 -2.37 0.29 1.15 0.41 0.00 0.00 173.24 172.73 1cww n MET 1 N -3.47 -0.26 -2.30 12.44 0.00 -1.25 -4.53 117.12 117.74 1cww n MET 1 Ca 0.13 -0.47 -0.42 0.00 0.00 0.00 0.00 57.70 56.95 1cww n MET 1 Cb 0.60 -0.30 -0.03 0.00 0.00 0.00 0.00 33.22 33.49 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 -2.08 6.97 0.17 3.17 2.15 -1.26 -4.87 116.67 120.92 1cww s ASP 2 Ca 0.17 2.23 -0.14 0.00 0.43 0.00 0.00 52.55 55.24 1cww s ASP 2 Cb -0.00 -2.59 0.06 0.00 -0.30 0.00 0.00 42.92 40.08 1cww s ASP 2 CO 0.12 -0.51 1.79 0.00 -0.17 0.00 0.00 175.17 176.39 1cww h ALA 3 N 6.16 0.68 -0.94 3.66 0.00 -1.97 0.38 119.26 127.23 1cww h ALA 3 Ca -0.43 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.43 1cww h ALA 3 Cb 1.21 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 1cww h ALA 3 CO 0.80 0.19 0.62 -0.22 0.00 0.00 0.00 179.25 180.64 1cww h LYS 4 N 0.71 1.17 0.28 0.00 1.63 -1.94 0.51 116.57 118.93 1cww h LYS 4 Ca 0.19 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 59.90 1cww h LYS 4 Cb 0.03 -0.26 0.00 0.00 -0.60 0.00 0.00 32.23 31.39 1cww h LYS 4 CO -0.03 0.77 -0.14 0.00 -3.45 0.00 0.00 179.45 176.60 1cww h ALA 5 N 1.44 -0.38 -0.39 5.00 0.00 -1.67 -2.29 119.26 120.97 1cww h ALA 5 Ca 0.37 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.21 1cww h ALA 5 Cb -0.03 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1cww h ALA 5 CO -0.10 -0.40 0.27 -0.09 0.00 0.00 0.00 179.25 178.93 1cww h ARG 6 N -1.02 0.11 0.00 0.00 1.12 -0.10 -2.43 114.38 112.06 1cww h ARG 6 Ca -0.04 -0.01 -0.00 0.00 -1.11 0.00 0.00 59.98 58.82 1cww h ARG 6 Cb 0.44 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.38 1cww h ARG 6 CO 0.06 0.07 -0.01 -0.91 -3.11 0.00 0.00 179.97 176.08 1cww h ASN 7 N 0.11 0.01 -0.04 -3.80 2.35 -0.04 -2.24 115.58 111.94 1cww h ASN 7 Ca 0.18 -0.81 0.01 0.00 -0.55 0.00 0.00 56.30 55.13 1cww h ASN 7 Cb 0.57 -0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.93 1cww h ASN 7 CO -0.02 0.81 0.29 0.00 -1.65 0.00 0.00 177.43 176.86 1cww h LEU 9 N 0.00 -0.07 -0.10 0.00 5.85 -1.35 -3.28 115.31 116.35 1cww h LEU 9 Ca 0.02 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.63 1cww h LEU 9 Cb 0.60 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1cww h LEU 9 CO -0.00 0.26 -0.54 -0.07 -0.34 0.00 0.00 178.44 177.76 1cww h LEU 10 N -0.72 0.00 -0.97 2.25 3.38 -0.75 -3.25 115.31 115.25 1cww h LEU 10 Ca -0.01 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1cww h LEU 10 Cb 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1cww h LEU 10 CO 0.01 0.54 -0.35 -0.61 0.09 0.00 0.00 178.44 178.12 1cww h GLN 11 N 0.00 0.30 -1.70 1.13 4.15 0.78 -2.56 115.11 117.20 1cww h GLN 11 Ca -0.01 -0.13 -0.21 0.00 0.77 0.00 0.00 58.65 59.07 1cww h GLN 11 Cb 1.37 -0.01 -0.09 0.00 0.21 0.00 0.00 27.48 28.96 1cww h GLN 11 CO 0.07 0.62 0.26 0.72 -1.93 0.00 0.00 178.83 178.57 1cww n HIS 12 N -4.07 0.99 -0.22 3.99 8.25 -1.23 -4.50 115.22 118.44 1cww n HIS 12 Ca -0.01 -1.63 0.30 0.00 -0.26 0.00 0.00 57.72 56.12 1cww n HIS 12 Cb 0.45 -0.82 0.71 0.00 1.12 0.00 0.00 29.99 31.45 1cww n HIS 12 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1cww h ARG 13 N 1.36 0.03 0.00 -0.41 9.65 -1.64 0.83 114.38 124.20 1cww h ARG 13 Ca 0.19 -0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.05 1cww h ARG 13 Cb 0.95 -0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.52 1cww h ARG 13 CO 0.49 0.02 -0.09 0.93 2.80 0.00 0.00 179.97 184.13 1cww h GLU 14 N 0.03 0.00 0.00 0.20 3.07 -1.88 -2.35 114.58 113.65 1cww h GLU 14 Ca 0.47 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 59.06 1cww h GLU 14 Cb 1.81 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 29.67 1cww h GLU 14 CO -0.02 0.09 -1.99 0.00 -1.40 0.00 0.00 179.01 175.68 1cww n ALA 15 N -2.38 1.64 -0.40 3.43 0.00 0.18 -4.40 120.51 118.57 1cww n ALA 15 Ca -0.02 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.49 1cww n ALA 15 Cb 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.59 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 -2.61 0.00 0.23 0.00 0.00 0.23 -0.92 117.00 113.93 1cww n LEU 16 Ca -0.25 0.80 0.12 0.00 0.00 0.00 0.00 56.01 56.68 1cww n LEU 16 Cb 0.95 -0.30 0.65 0.00 0.00 0.00 0.00 43.42 44.72 1cww n LEU 16 CO 0.29 -0.30 0.94 -0.08 0.00 0.00 0.00 177.39 178.24 1cww h GLU 17 N 0.00 0.00 0.14 1.96 4.57 -1.70 0.61 114.58 120.15 1cww h GLU 17 Ca 0.00 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 57.90 1cww h GLU 17 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1cww h GLU 17 CO 0.00 0.00 -1.42 -0.22 -1.18 0.00 0.00 179.01 176.19 1cww h LYS 18 N 0.00 0.29 0.00 1.92 3.64 -1.64 -3.41 116.57 117.37 1cww h LYS 18 Ca 0.00 -0.49 -0.26 0.00 -1.27 0.00 0.00 60.65 58.63 1cww h LYS 18 Cb 0.36 0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 32.31 1cww h LYS 18 CO 0.00 1.23 -1.98 -0.25 -2.27 0.00 0.00 179.45 176.18 1cww n ASP 19 N -3.88 1.56 -4.74 4.20 9.92 -0.10 -4.99 116.55 118.53 1cww n ASP 19 Ca -0.24 -0.01 -0.42 0.00 -0.53 0.00 0.00 54.79 53.60 1cww n ASP 19 Cb 0.93 0.77 -0.02 0.00 -0.64 0.00 0.00 41.12 42.16 1cww n ASP 19 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1cww n ILE 20 N -2.57 0.67 -4.19 0.53 5.41 0.21 -5.01 119.36 114.42 1cww n ILE 20 Ca -0.24 -0.17 -0.11 0.00 1.00 0.00 0.00 62.75 63.23 1cww n ILE 20 Cb 0.96 -1.97 -0.10 0.00 -0.71 0.00 0.00 39.64 37.81 1cww n ILE 20 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1cww s LYS 21 N 0.07 0.98 0.00 0.38 2.20 -1.26 -4.82 119.74 117.28 1cww s LYS 21 Ca 0.68 -1.46 0.00 0.00 -0.36 0.00 0.00 55.97 54.83 1cww s LYS 21 Cb -0.50 -0.03 0.00 0.00 -1.51 0.00 0.00 37.83 35.80 1cww s LYS 21 CO 0.43 -0.17 0.49 -2.37 -0.36 0.00 0.00 175.35 173.36 1cww n THR 22 N -0.14 0.00 0.00 3.43 5.66 -1.26 -4.64 114.28 117.33 1cww n THR 22 Ca -0.07 -0.49 0.00 0.00 -3.05 0.00 0.00 64.05 60.44 1cww n THR 22 Cb 0.63 1.02 0.00 0.00 -1.55 0.00 0.00 70.33 70.43 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 -0.01 0.00 -0.18 1.09 7.64 -1.26 -3.96 113.62 116.94 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 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 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 0.75 -0.54 1.43 -1.99 -1.99 -1.44 116.97 113.19 1cww h TYR 24 Ca 0.00 -0.03 0.07 0.00 2.00 0.00 0.00 58.73 60.77 1cww h TYR 24 Cb 0.00 -0.23 -0.06 0.00 2.00 0.00 0.00 36.73 38.44 1cww h TYR 24 CO 0.00 0.58 0.22 0.82 -0.00 0.00 0.00 178.16 179.78 1cww h ILE 25 N 0.71 0.85 0.00 -2.88 2.04 -1.83 -0.44 117.51 115.95 1cww h ILE 25 Ca 0.18 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.90 1cww h ILE 25 Cb 0.10 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1cww h ILE 25 CO -0.03 0.08 -0.00 -0.03 0.00 0.00 0.00 178.15 178.17 1cww h MET 26 N 0.42 0.00 -0.16 2.37 4.05 -1.64 -2.83 114.93 117.14 1cww h MET 26 Ca 0.26 0.00 -0.15 0.00 -0.28 0.00 0.00 59.70 59.53 1cww h MET 26 Cb 0.26 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.05 1cww h MET 26 CO -0.24 0.00 -0.53 0.22 0.23 0.00 0.00 176.91 176.59 1cww h ASP 27 N 0.00 0.52 1.25 1.39 1.82 0.03 -1.58 116.42 119.84 1cww h ASP 27 Ca -0.00 -0.27 -0.10 0.00 -0.39 0.00 0.00 57.03 56.27 1cww h ASP 27 Cb 0.71 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.56 1cww h ASP 27 CO 0.00 0.95 -0.47 0.45 -1.61 0.00 0.00 179.24 178.56 1cww h HIS 28 N 0.36 0.00 0.01 0.28 3.86 -1.34 -2.27 115.15 116.06 1cww h HIS 28 Ca 0.01 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 58.97 1cww h HIS 28 Cb 1.05 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.54 1cww h HIS 28 CO 0.04 0.47 -1.02 0.52 0.86 0.00 0.00 177.93 178.80 1cww h MET 29 N 0.00 0.58 -0.06 2.45 2.86 -1.23 -1.42 114.93 118.11 1cww h MET 29 Ca -0.00 -0.64 -0.15 0.00 -2.06 0.00 0.00 59.70 56.84 1cww h MET 29 Cb 1.23 0.19 0.01 0.00 0.06 0.00 0.00 31.60 33.08 1cww h MET 29 CO 0.06 1.25 -0.55 0.82 1.06 0.00 0.00 176.91 179.55 1cww h ILE 30 N 0.32 1.39 0.00 -1.22 2.04 -1.33 -2.59 117.51 116.12 1cww h ILE 30 Ca -0.12 -1.94 -0.03 0.00 1.00 0.00 0.00 64.86 63.77 1cww h ILE 30 Cb 1.67 2.37 -0.00 0.00 -0.74 0.00 0.00 36.82 40.11 1cww h ILE 30 CO 0.19 0.57 -0.16 0.28 0.00 0.00 0.00 178.15 179.04 1cww h SER 31 N 0.03 0.00 0.50 1.72 0.02 -1.49 0.59 113.55 114.91 1cww h SER 31 Ca -0.05 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.80 1cww h SER 31 Cb 1.23 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 1cww h SER 31 CO 0.11 0.16 -0.44 -0.78 -1.14 0.00 0.00 176.83 174.74 1cww h ASP 32 N 0.00 0.00 0.00 3.07 3.58 -1.10 -3.47 116.42 118.51 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 0.38 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.43 1cww h ASP 32 CO 0.02 0.44 0.00 0.61 -2.88 0.00 0.00 179.24 177.43 1cww n GLY 33 N -0.17 0.45 0.15 -0.78 0.00 0.20 -4.95 105.19 100.08 1cww n GLY 33 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 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 0.90 -3.47 1.61 -1.00 -1.68 -3.42 116.94 109.88 1cww h PHE 34 Ca 0.00 -0.61 -0.61 0.00 2.81 0.00 0.00 57.97 59.56 1cww h PHE 34 Cb 0.00 -0.05 -0.11 0.00 3.61 0.00 0.00 35.95 39.39 1cww h PHE 34 CO 0.00 1.47 0.19 -0.51 -1.61 0.00 0.00 178.31 177.85 1cww s LEU 35 N -7.79 4.08 0.65 1.54 1.02 -1.04 -5.01 118.68 112.13 1cww s LEU 35 Ca -0.10 0.68 -0.08 0.00 0.02 0.00 0.00 54.13 54.64 1cww s LEU 35 Cb 0.04 -2.88 0.02 0.00 0.02 0.00 0.00 46.19 43.39 1cww s LEU 35 CO 0.92 -0.41 0.99 -0.89 0.02 0.00 0.00 176.35 176.98 1cww s THR 36 N 2.57 3.34 0.28 5.49 2.01 -1.26 -4.42 115.64 123.65 1cww s THR 36 Ca 0.27 0.13 0.02 0.00 0.31 0.00 0.00 61.69 62.42 1cww s THR 36 Cb -0.15 -3.38 0.28 0.00 0.01 0.00 0.00 72.50 69.25 1cww s THR 36 CO 0.09 -0.44 1.80 0.40 -0.69 0.00 0.00 174.62 175.78 1cww h ILE 37 N -0.43 0.80 -0.05 1.82 1.08 -1.96 0.26 117.51 119.03 1cww h ILE 37 Ca -0.45 -0.28 -0.09 0.00 -0.39 0.00 0.00 64.86 63.65 1cww h ILE 37 Cb 1.27 -0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 34.91 1cww h ILE 37 CO 0.62 0.15 -0.39 0.28 -0.69 0.00 0.00 178.15 178.12 1cww h SER 38 N 0.82 0.09 -0.11 1.72 0.02 -1.99 0.51 113.55 114.62 1cww h SER 38 Ca 0.52 -0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.39 1cww h SER 38 Cb 0.67 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.18 1cww h SER 38 CO -0.33 0.48 -0.10 -0.33 -1.14 0.00 0.00 176.83 175.41 1cww h GLU 39 N 0.08 0.26 0.26 3.45 3.07 -1.01 -3.21 114.58 117.47 1cww h GLU 39 Ca 0.01 -0.13 -0.01 0.00 -0.50 0.00 0.00 59.36 58.72 1cww h GLU 39 Cb 0.72 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.63 1cww h GLU 39 CO 0.05 0.66 -0.15 1.49 -1.40 0.00 0.00 179.01 179.67 1cww h GLU 40 N -0.14 -0.37 -0.36 2.33 4.81 -0.34 -3.22 114.58 117.28 1cww h GLU 40 Ca 0.02 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.31 1cww h GLU 40 Cb 0.61 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.04 1cww h GLU 40 CO 0.03 -0.25 -0.21 -1.91 -0.73 0.00 0.00 179.01 175.93 1cww n GLU 41 N -5.27 -0.16 -0.05 1.92 4.07 0.18 -0.14 120.64 121.19 1cww n GLU 41 Ca -0.09 0.98 -0.11 0.00 -0.06 0.00 0.00 57.16 57.88 1cww n GLU 41 Cb 0.19 -1.45 -0.04 0.00 -0.06 0.00 0.00 31.44 30.08 1cww n GLU 41 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 1cww h LYS 42 N 0.00 0.28 -0.60 5.31 3.64 -1.63 0.41 116.57 123.98 1cww h LYS 42 Ca 0.06 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1cww h LYS 42 Cb 0.15 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 1cww h LYS 42 CO -0.34 0.31 0.39 0.28 -2.27 0.00 0.00 179.45 177.82 1cww h VAL 43 N 0.18 1.16 0.00 2.00 2.07 -1.42 -2.66 116.25 117.57 1cww h VAL 43 Ca 0.07 -0.29 -0.21 0.00 0.82 0.00 0.00 66.70 67.09 1cww h VAL 43 Cb 0.13 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 1cww h VAL 43 CO -0.01 0.15 -1.25 -0.09 0.02 0.00 0.00 177.57 176.39 1cww h ARG 44 N 0.81 0.00 -0.50 1.57 2.43 -0.35 -3.37 114.38 114.98 1cww h ARG 44 Ca 0.22 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.28 1cww h ARG 44 Cb -0.09 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 1cww h ARG 44 CO -0.05 0.56 -0.12 -0.91 -1.51 0.00 0.00 179.97 177.94 1cww h ASN 45 N 0.00 0.97 -4.15 -3.80 2.35 0.17 -3.44 115.58 107.68 1cww h ASN 45 Ca -0.14 -0.36 -0.54 0.00 -0.55 0.00 0.00 56.30 54.71 1cww h ASN 45 Cb 1.73 -0.26 0.15 0.00 0.05 0.00 0.00 38.32 39.99 1cww h ASN 45 CO 0.08 1.10 0.44 -1.61 -1.65 0.00 0.00 177.43 175.79 1cww s GLU 46 N -4.80 2.33 0.00 0.81 0.41 -1.11 -4.97 118.70 111.37 1cww s GLU 46 Ca -0.12 1.86 0.22 0.00 -0.41 0.00 0.00 54.97 56.52 1cww s GLU 46 Cb 0.12 -1.84 -0.13 0.00 -1.78 0.00 0.00 34.13 30.50 1cww s GLU 46 CO 0.85 -1.71 0.95 -0.35 -0.49 0.00 0.00 175.26 174.52 1cww n PRO 47 N -2.37 0.04 -4.45 0.39 -0.05 -1.26 -4.79 135.00 122.52 1cww n PRO 47 Ca 0.14 -0.01 -0.22 0.00 -0.05 0.00 0.00 63.50 63.36 1cww n PRO 47 Cb 0.49 -1.50 -0.10 0.00 -0.05 0.00 0.00 33.50 32.34 1cww n PRO 47 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 175.50 176.40 1cww s THR 48 N -3.03 1.65 0.38 0.52 -4.23 -1.26 -4.98 115.64 104.70 1cww s THR 48 Ca 0.07 -2.11 0.32 0.00 -1.18 0.00 0.00 61.69 58.79 1cww s THR 48 Cb 0.16 -2.52 0.32 0.00 1.34 0.00 0.00 72.50 71.80 1cww s THR 48 CO 0.85 -0.25 1.97 -0.61 -0.54 0.00 0.00 174.62 176.04 1cww h GLN 49 N 2.22 0.00 0.00 3.99 5.75 -1.96 0.15 115.11 125.27 1cww h GLN 49 Ca -0.40 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.10 1cww h GLN 49 Cb 1.24 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.79 1cww h GLN 49 CO 0.68 0.00 0.00 0.94 -2.65 0.00 0.00 178.83 177.80 1cww n GLN 50 N -2.72 0.00 0.00 1.69 7.27 -1.26 -1.36 117.38 121.00 1cww n GLN 50 Ca -0.02 0.07 0.13 0.00 0.07 0.00 0.00 57.00 57.26 1cww n GLN 50 Cb 0.17 -0.70 0.66 0.00 2.41 0.00 0.00 30.24 32.77 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 -0.28 0.28 0.00 3.69 1.13 -1.16 -2.13 117.38 118.91 1cww n GLN 51 Ca 0.00 0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 1cww n GLN 51 Cb 0.00 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.85 1cww n GLN 51 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1cww n ARG 52 N -1.34 0.00 -0.07 -1.09 1.74 0.03 -2.92 116.66 113.02 1cww n ARG 52 Ca 0.11 0.45 -0.10 0.00 -0.77 0.00 0.00 57.85 57.54 1cww n ARG 52 Cb 0.24 -0.95 -0.04 0.00 -1.02 0.00 0.00 32.46 30.70 1cww n ARG 52 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1cww h ALA 53 N -2.00 0.30 0.00 7.54 0.00 -1.36 -2.43 119.26 121.31 1cww h ALA 53 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1cww h ALA 53 Cb 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1cww h ALA 53 CO 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 179.25 179.08 1cww h ALA 54 N 0.97 1.76 -0.07 0.00 0.00 -1.31 -0.80 119.26 119.80 1cww h ALA 54 Ca 0.08 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.75 1cww h ALA 54 Cb 0.13 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1cww h ALA 54 CO -0.01 0.05 -0.80 1.98 0.00 0.00 0.00 179.25 180.47 1cww h MET 55 N 0.00 0.48 0.29 0.00 -1.53 -1.32 0.22 114.93 113.07 1cww h MET 55 Ca -0.00 -0.42 -0.01 0.00 -3.44 0.00 0.00 59.70 55.83 1cww h MET 55 Cb 0.08 0.10 0.00 0.00 -0.55 0.00 0.00 31.60 31.22 1cww h MET 55 CO 0.00 1.06 -0.14 1.25 0.14 0.00 0.00 176.91 179.22 1cww h LEU 56 N 0.31 -0.33 -1.77 3.39 5.85 -0.83 0.98 115.31 122.92 1cww h LEU 56 Ca -0.05 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 1cww h LEU 56 Cb 1.40 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.51 1cww h LEU 56 CO 0.14 -0.11 -0.16 0.40 -0.34 0.00 0.00 178.44 178.38 1cww h ILE 57 N -0.54 0.72 -0.01 4.05 1.08 -1.20 -1.83 117.51 119.77 1cww h ILE 57 Ca -0.04 -0.65 -0.18 0.00 -0.39 0.00 0.00 64.86 63.60 1cww h ILE 57 Cb 0.40 1.40 -0.01 0.00 -3.07 0.00 0.00 36.82 35.53 1cww h ILE 57 CO 0.07 0.16 -0.79 0.50 -0.69 0.00 0.00 178.15 177.39 1cww h LYS 58 N 0.00 0.16 -0.20 2.37 3.64 -0.05 -1.88 116.57 120.60 1cww h LYS 58 Ca -0.00 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 1cww h LYS 58 Cb 0.38 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1cww h LYS 58 CO 0.02 0.86 0.09 0.52 -2.27 0.00 0.00 179.45 178.68 1cww h MET 59 N 0.10 0.30 0.00 1.90 2.86 0.05 -1.95 114.93 118.18 1cww h MET 59 Ca -0.03 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 1cww h MET 59 Cb 1.38 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.98 1cww h MET 59 CO 0.12 0.33 -0.12 0.82 1.06 0.00 0.00 176.91 179.12 1cww h ILE 60 N 0.20 0.76 -0.11 -1.22 2.04 -1.44 0.13 117.51 117.85 1cww h ILE 60 Ca 0.07 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 1cww h ILE 60 Cb 0.13 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 1cww h ILE 60 CO -0.01 0.11 0.00 0.25 0.00 0.00 0.00 178.15 178.51 1cww h LEU 61 N 0.00 0.14 -5.21 1.44 6.46 -0.53 -3.22 115.31 114.39 1cww h LEU 61 Ca -0.00 -0.01 -0.28 0.00 -0.12 0.00 0.00 57.88 57.46 1cww h LEU 61 Cb 0.26 -0.04 -0.40 0.00 -0.73 0.00 0.00 40.66 39.75 1cww h LEU 61 CO 0.02 0.17 -1.09 0.29 -0.62 0.00 0.00 178.44 177.21 1cww n LYS 62 N -4.44 1.94 0.00 1.25 5.02 -0.57 -4.94 118.16 116.42 1cww n LYS 62 Ca -0.01 -3.58 0.00 0.00 -2.02 0.00 0.00 58.31 52.70 1cww n LYS 62 Cb 0.14 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.48 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 -0.59 0.00 -3.45 1.97 3.00 0.34 -4.85 118.16 114.58 1cww n LYS 63 Ca 0.12 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.30 1cww n LYS 63 Cb 0.82 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.82 1cww n LYS 63 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 1cww s ASP 64 N -0.92 -0.56 0.57 3.14 1.47 -1.26 -3.61 116.67 115.50 1cww s ASP 64 Ca 0.00 0.14 0.31 0.00 1.18 0.00 0.00 52.55 54.19 1cww s ASP 64 Cb 0.00 0.56 1.72 0.00 -0.34 0.00 0.00 42.92 44.87 1cww s ASP 64 CO 0.00 -0.86 2.17 -0.55 0.68 0.00 0.00 175.17 176.61 1cww h ASN 65 N 2.20 0.00 -0.08 2.11 7.08 -1.87 0.01 115.58 125.03 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 1.27 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 37.51 1cww h ASN 65 CO 0.37 0.06 0.03 -0.78 -2.08 0.00 0.00 177.43 175.03 1cww h ASP 66 N 0.00 0.11 0.86 6.14 3.58 -1.97 0.39 116.42 125.53 1cww h ASP 66 Ca -0.00 -0.18 -0.06 0.00 0.42 0.00 0.00 57.03 57.20 1cww h ASP 66 Cb 0.19 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 1cww h ASP 66 CO 0.01 0.26 -0.31 0.28 -2.88 0.00 0.00 179.24 176.60 1cww h SER 67 N -0.05 0.00 -0.27 2.28 0.02 -1.81 -2.09 113.55 111.63 1cww h SER 67 Ca 0.03 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.81 1cww h SER 67 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1cww h SER 67 CO -0.00 0.31 -0.50 0.22 -1.14 0.00 0.00 176.83 175.72 1cww h TYR 68 N 0.00 1.01 0.00 3.45 3.20 -0.38 0.72 116.97 124.97 1cww h TYR 68 Ca -0.00 -0.36 -0.04 0.00 3.14 0.00 0.00 58.73 61.47 1cww h TYR 68 Cb 0.82 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 1cww h TYR 68 CO 0.00 1.17 -0.19 0.28 -1.64 0.00 0.00 178.16 177.78 1cww h VAL 69 N 0.57 0.44 -0.04 1.81 2.07 -0.07 0.28 116.25 121.30 1cww h VAL 69 Ca 0.01 -1.12 -0.06 0.00 0.82 0.00 0.00 66.70 66.36 1cww h VAL 69 Cb 1.10 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 1cww h VAL 69 CO 0.11 0.19 -0.21 -1.28 0.02 0.00 0.00 177.57 176.40 1cww h SER 70 N 0.00 0.25 -0.97 0.57 0.87 -0.94 0.62 113.55 113.94 1cww h SER 70 Ca -0.00 -0.67 0.04 0.00 -1.23 0.00 0.00 61.79 59.93 1cww h SER 70 Cb 0.79 -0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 62.62 1cww h SER 70 CO 0.03 0.88 0.64 0.15 -0.53 0.00 0.00 176.83 177.99 1cww h PHE 71 N -0.37 1.18 -0.45 2.24 3.57 0.82 0.13 116.94 124.05 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 0.88 -0.39 -0.04 0.00 2.79 0.00 0.00 35.95 39.19 1cww h PHE 71 CO 0.15 0.67 0.23 -0.92 -2.23 0.00 0.00 178.31 176.21 1cww h TYR 72 N 1.20 0.43 -0.99 0.41 5.03 -0.33 -1.51 116.97 121.21 1cww h TYR 72 Ca 0.40 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.74 1cww h TYR 72 Cb 0.05 -0.13 -0.05 0.00 1.55 0.00 0.00 36.73 38.15 1cww h TYR 72 CO -0.00 0.22 0.65 -0.97 -1.32 0.00 0.00 178.16 176.75 1cww h ASN 73 N 0.47 1.11 -0.34 -2.11 -0.73 0.91 -1.96 115.58 112.93 1cww h ASN 73 Ca 0.19 -0.02 -0.06 0.00 1.87 0.00 0.00 56.30 58.28 1cww h ASN 73 Cb 0.09 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.39 1cww h ASN 73 CO -0.13 0.79 0.01 0.00 -0.37 0.00 0.00 177.43 177.73 1cww h ALA 74 N 1.38 1.20 -0.46 1.57 0.00 0.06 -2.00 119.26 121.00 1cww h ALA 74 Ca 0.38 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1cww h ALA 74 Cb -0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1cww h ALA 74 CO -0.10 0.53 0.14 -0.07 0.00 0.00 0.00 179.25 179.74 1cww h LEU 75 N 0.66 0.63 -0.45 0.00 3.38 -0.55 -0.14 115.31 118.84 1cww h LEU 75 Ca 0.14 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1cww h LEU 75 Cb 0.40 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1cww h LEU 75 CO 0.01 0.61 0.00 0.18 0.09 0.00 0.00 178.44 179.34 1cww n LEU 76 N -4.32 0.62 0.06 1.67 4.32 -0.78 0.49 117.00 119.06 1cww n LEU 76 Ca 0.03 0.62 -0.22 0.00 -0.02 0.00 0.00 56.01 56.42 1cww n LEU 76 Cb 0.19 -0.51 -0.15 0.00 -1.62 0.00 0.00 43.42 41.34 1cww n LEU 76 CO 0.39 -0.43 -0.57 -0.74 -1.22 0.00 0.00 177.39 174.82 1cww h HIS 77 N 0.00 0.67 -0.95 -1.77 2.76 -0.72 -3.38 115.15 111.76 1cww h HIS 77 Ca 0.00 -0.49 -0.62 0.00 -2.20 0.00 0.00 60.37 57.06 1cww h HIS 77 Cb 0.45 -0.03 -0.30 0.00 1.55 0.00 0.00 27.41 29.08 1cww h HIS 77 CO 0.00 1.68 0.62 0.39 -1.30 0.00 0.00 177.93 179.32 1cww n GLU 78 N -3.56 2.68 -3.60 5.26 -0.58 -0.96 -4.91 120.64 114.97 1cww n GLU 78 Ca -0.25 -3.33 -0.23 0.00 -0.42 0.00 0.00 57.16 52.92 1cww n GLU 78 Cb 1.07 -2.25 0.08 0.00 -0.57 0.00 0.00 31.44 29.77 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 -0.95 -0.50 2.41 0.62 0.00 -1.19 -4.93 105.19 100.65 1cww n GLY 79 Ca 0.59 0.22 -0.20 0.00 0.00 0.00 0.00 46.02 46.63 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 -4.80 2.60 0.11 1.61 4.01 0.18 -4.82 117.16 116.05 1cww n TYR 80 Ca -0.05 -2.67 -0.00 0.00 -0.16 0.00 0.00 57.90 55.01 1cww n TYR 80 Cb 0.58 -0.23 0.29 0.00 -0.31 0.00 0.00 39.34 39.68 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 2.53 0.21 -0.40 -0.72 3.64 -1.90 -2.78 116.57 117.15 1cww h LYS 81 Ca 0.21 -0.08 -0.10 0.00 -1.27 0.00 0.00 60.65 59.40 1cww h LYS 81 Cb 1.19 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 1cww h LYS 81 CO 0.69 0.51 -0.15 -0.44 -2.27 0.00 0.00 179.45 177.78 1cww h ASP 82 N 0.18 0.83 -0.33 4.20 3.32 -1.93 0.25 116.42 122.93 1cww h ASP 82 Ca 0.02 -0.39 -0.03 0.00 0.02 0.00 0.00 57.03 56.66 1cww h ASP 82 Cb 0.66 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1cww h ASP 82 CO 0.05 1.03 0.10 0.25 -1.72 0.00 0.00 179.24 178.95 1cww h LEU 83 N 0.62 0.48 -1.18 1.55 7.12 -1.94 -1.93 115.31 120.04 1cww h LEU 83 Ca 0.09 -0.21 0.02 0.00 0.13 0.00 0.00 57.88 57.92 1cww h LEU 83 Cb 0.70 -0.13 -0.04 0.00 -0.53 0.00 0.00 40.66 40.66 1cww h LEU 83 CO 0.05 0.56 0.56 0.00 -0.13 0.00 0.00 178.44 179.48 1cww h ALA 84 N 0.94 1.43 -0.67 1.25 0.00 -1.37 -1.23 119.26 119.61 1cww h ALA 84 Ca 0.11 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1cww h ALA 84 Cb 0.25 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1cww h ALA 84 CO -0.00 0.51 0.40 0.00 0.00 0.00 0.00 179.25 180.15 1cww h ALA 85 N 1.49 1.44 0.00 0.00 0.00 0.07 0.27 119.26 122.52 1cww h ALA 85 Ca 0.32 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1cww h ALA 85 Cb -0.06 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 1cww h ALA 85 CO -0.08 0.48 -0.10 -0.07 0.00 0.00 0.00 179.25 179.48 1cww h LEU 86 N 0.93 0.00 0.00 0.00 3.38 -0.48 -1.89 115.31 117.25 1cww h LEU 86 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1cww h LEU 86 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1cww h LEU 86 CO -0.04 0.10 -1.22 0.18 0.09 0.00 0.00 178.44 177.55 1cww n LEU 87 N -3.76 0.55 0.17 1.67 4.32 0.19 -4.01 117.00 116.13 1cww n LEU 87 Ca -0.02 -0.01 0.12 0.00 -0.02 0.00 0.00 56.01 56.08 1cww n LEU 87 Cb 0.21 -0.06 0.60 0.00 -1.62 0.00 0.00 43.42 42.55 1cww n LEU 87 CO 0.30 0.02 0.86 -0.74 -1.22 0.00 0.00 177.39 176.62 1cww h HIS 88 N 0.00 0.00 0.00 -1.77 2.76 0.27 0.54 115.15 116.95 1cww h HIS 88 Ca 0.00 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1cww h HIS 88 Cb 0.80 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.76 1cww h HIS 88 CO 0.00 0.00 -0.02 0.22 -1.30 0.00 0.00 177.93 176.83 1cww h ASP 89 N 0.00 0.00 0.00 3.26 3.58 -1.69 -2.11 116.42 119.46 1cww h ASP 89 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1cww h ASP 89 Cb 0.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.15 1cww h ASP 89 CO 0.00 0.02 -0.93 0.61 -2.88 0.00 0.00 179.24 176.05 1cww n GLY 90 N -1.05 -0.08 3.60 -0.78 0.00 0.15 -4.79 105.19 102.23 1cww n GLY 90 Ca -0.03 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.19 4.54 0.02 -0.61 -1.09 -0.79 -4.52 121.20 116.55 1cww s ILE 91 Ca -0.00 1.12 -0.10 0.00 -2.23 0.00 0.00 60.65 59.43 1cww s ILE 91 Cb 0.05 -4.37 -0.06 0.00 -1.58 0.00 0.00 42.46 36.51 1cww s ILE 91 CO 0.32 -0.62 1.12 -0.65 -1.23 0.00 0.00 174.94 173.88 1cww h PRO 92 N 8.63 -0.36 -5.36 2.79 0.11 -1.93 -3.46 132.00 132.42 1cww h PRO 92 Ca -0.23 0.02 -0.41 0.00 0.11 0.00 0.00 66.00 65.49 1cww h PRO 92 Cb 1.08 0.08 -0.20 0.00 0.11 0.00 0.00 31.00 32.07 1cww h PRO 92 CO 1.00 -0.24 -0.77 0.14 -0.21 0.00 0.00 178.00 177.93 1cww s VAL 93 N -3.74 1.22 -0.91 3.15 -7.23 -1.26 -5.07 120.40 106.55 1cww s VAL 93 Ca -0.05 -1.55 0.00 0.00 -1.81 0.00 0.00 61.98 58.57 1cww s VAL 93 Cb 0.01 -1.34 0.30 0.00 0.56 0.00 0.00 36.38 35.91 1cww s VAL 93 CO 0.16 -0.35 1.34 0.52 -0.31 0.00 0.00 175.10 176.46 1cww n VAL 94 N 0.83 4.61 -2.12 1.32 0.31 -1.26 -5.03 118.33 116.98 1cww n VAL 94 Ca -0.18 -5.76 0.13 0.00 -0.01 0.00 0.00 64.34 58.53 1cww n VAL 94 Cb 0.56 -1.87 -0.03 0.00 -0.91 0.00 0.00 33.84 31.59 1cww n VAL 94 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1cww n SER 95 N 0.68 -6.92 -2.41 4.52 7.64 -1.26 -4.65 113.62 111.21 1cww n SER 95 Ca 0.33 1.03 -0.12 0.00 1.01 0.00 0.00 58.87 61.12 1cww n SER 95 Cb 0.34 -2.90 0.04 0.00 -1.01 0.00 0.00 64.21 60.68 1cww n SER 95 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1cww n SER 96 N -3.50 3.24 0.00 6.43 7.64 -1.26 -5.25 113.62 120.93 1cww n SER 96 Ca 0.01 -2.90 0.16 0.00 1.01 0.00 0.00 58.87 57.15 1cww n SER 96 Cb 0.44 -0.41 0.93 0.00 -1.01 0.00 0.00 64.21 64.16 1cww n SER 96 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49