#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 4.42 0.30 1.61 0.04 -1.26 -5.03 135.00 135.08 1cww s PRO -4 Ca 0.00 2.12 -0.11 0.00 0.04 0.00 0.00 61.00 63.05 1cww s PRO -4 Cb 0.00 -3.10 -0.07 0.00 0.04 0.00 0.00 34.50 31.36 1cww s PRO -4 CO 0.00 -0.11 0.65 -0.51 0.04 0.00 0.00 177.00 177.07 1cww s LEU -3 N -1.60 4.06 -0.54 -3.56 2.01 -1.26 -5.06 118.68 112.74 1cww s LEU -3 Ca 0.49 1.07 0.04 0.00 0.01 0.00 0.00 54.13 55.73 1cww s LEU -3 Cb -0.38 -3.87 0.15 0.00 0.01 0.00 0.00 46.19 42.10 1cww s LEU -3 CO 0.49 -0.19 0.35 -0.83 1.01 0.00 0.00 176.35 177.19 1cww s GLY -2 N -2.55 2.17 0.00 -3.19 0.00 -1.26 -5.06 107.32 97.44 1cww s GLY -2 Ca 0.50 -3.13 0.00 0.00 0.00 0.00 0.00 44.72 42.09 1cww s GLY -2 CO 0.22 1.40 0.00 -1.26 0.00 0.00 0.00 173.10 173.46 1cww n SER -1 N 2.78 0.00 -5.01 1.64 2.88 -1.26 -4.87 113.62 109.78 1cww n SER -1 Ca 0.16 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.49 1cww n SER -1 Cb 0.37 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.87 1cww n SER -1 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1cww s MET 1 N 1.34 2.35 0.01 -1.46 -2.45 -1.19 -1.73 119.30 116.18 1cww s MET 1 Ca 0.00 -1.66 -0.22 0.00 -1.25 0.00 0.00 55.69 52.56 1cww s MET 1 Cb 0.00 -2.57 -0.05 0.00 1.25 0.00 0.00 34.83 33.46 1cww s MET 1 CO 0.00 -0.76 0.64 0.34 1.05 0.00 0.00 175.02 176.29 1cww s ASP 2 N -4.57 7.05 0.11 1.11 2.15 -1.26 -4.83 116.67 116.43 1cww s ASP 2 Ca 0.57 1.25 -0.21 0.00 0.43 0.00 0.00 52.55 54.58 1cww s ASP 2 Cb -0.05 -2.39 -0.09 0.00 -0.30 0.00 0.00 42.92 40.08 1cww s ASP 2 CO 0.36 0.08 1.73 0.00 -0.17 0.00 0.00 175.17 177.17 1cww h ALA 3 N 5.60 0.10 -0.52 3.66 0.00 -1.98 0.52 119.26 126.64 1cww h ALA 3 Ca -0.45 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.51 1cww h ALA 3 Cb 1.20 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1cww h ALA 3 CO 0.70 -0.45 0.31 0.87 0.00 0.00 0.00 179.25 180.68 1cww h LYS 4 N 0.05 0.60 0.43 0.00 1.79 -1.96 0.25 116.57 117.73 1cww h LYS 4 Ca 0.05 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.46 1cww h LYS 4 Cb 0.05 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.57 1cww h LYS 4 CO -0.08 0.40 -0.21 0.00 -1.08 0.00 0.00 179.45 178.49 1cww h ALA 5 N 1.23 -0.58 0.00 3.86 0.00 -1.72 0.23 119.26 122.28 1cww h ALA 5 Ca 0.21 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1cww h ALA 5 Cb 0.02 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1cww h ALA 5 CO -0.09 -0.76 -0.12 -0.09 0.00 0.00 0.00 179.25 178.19 1cww h ARG 6 N -0.70 0.00 0.00 0.00 2.43 0.20 -2.16 114.38 114.15 1cww h ARG 6 Ca -0.06 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.01 1cww h ARG 6 Cb 0.51 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1cww h ARG 6 CO 0.10 0.12 -0.55 -0.91 -1.51 0.00 0.00 179.97 177.22 1cww h ASN 7 N 0.00 0.00 -0.13 -3.80 2.35 -0.33 -2.82 115.58 110.85 1cww h ASN 7 Ca -0.00 -0.70 0.04 0.00 -0.55 0.00 0.00 56.30 55.08 1cww h ASN 7 Cb 0.29 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 1cww h ASN 7 CO 0.02 1.17 0.28 0.00 -1.65 0.00 0.00 177.43 177.25 1cww h LEU 9 N 0.00 -0.19 0.00 0.00 5.85 -1.46 -3.31 115.31 116.19 1cww h LEU 9 Ca 0.06 -0.06 -0.18 0.00 0.84 0.00 0.00 57.88 58.54 1cww h LEU 9 Cb 0.63 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 1cww h LEU 9 CO -0.00 0.31 -1.02 -0.07 -0.34 0.00 0.00 178.44 177.32 1cww h LEU 10 N -1.05 0.00 -1.62 2.25 3.38 -1.09 -3.31 115.31 113.88 1cww h LEU 10 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1cww h LEU 10 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1cww h LEU 10 CO 0.04 0.76 0.14 -0.61 0.09 0.00 0.00 178.44 178.85 1cww h GLN 11 N 0.00 0.39 -1.71 1.13 4.15 0.11 -1.47 115.11 117.71 1cww h GLN 11 Ca -0.08 -0.04 -0.22 0.00 0.77 0.00 0.00 58.65 59.09 1cww h GLN 11 Cb 1.64 -0.08 -0.09 0.00 0.21 0.00 0.00 27.48 29.16 1cww h GLN 11 CO 0.09 0.31 0.26 0.72 -1.93 0.00 0.00 178.83 178.27 1cww n HIS 12 N -4.44 1.00 0.27 3.99 8.25 -1.25 -4.44 115.22 118.60 1cww n HIS 12 Ca 0.01 -1.64 0.18 0.00 -0.26 0.00 0.00 57.72 56.01 1cww n HIS 12 Cb 0.11 -0.83 0.91 0.00 1.12 0.00 0.00 29.99 31.29 1cww n HIS 12 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 1cww h ARG 13 N 1.40 0.00 -0.20 -0.41 -0.00 -1.48 0.51 114.38 114.19 1cww h ARG 13 Ca 0.20 0.00 0.06 0.00 -0.00 0.00 0.00 59.98 60.23 1cww h ARG 13 Cb 0.95 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.91 1cww h ARG 13 CO 0.50 0.00 0.24 1.05 -0.00 0.00 0.00 179.97 181.76 1cww h GLU 14 N 0.00 0.00 0.00 0.08 4.11 -1.87 -1.95 114.58 114.96 1cww h GLU 14 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.48 1cww h GLU 14 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1cww h GLU 14 CO -0.00 0.00 -0.63 0.00 0.07 0.00 0.00 179.01 178.45 1cww n ALA 15 N -2.31 1.83 -1.00 1.06 0.00 0.12 -4.63 120.51 115.58 1cww n ALA 15 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1cww n ALA 15 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 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 -1.23 0.00 0.29 0.00 0.00 0.13 -0.15 117.00 116.05 1cww n LEU 16 Ca 0.00 0.11 0.19 0.00 0.00 0.00 0.00 56.01 56.31 1cww n LEU 16 Cb 0.00 0.00 0.98 0.00 0.00 0.00 0.00 43.42 44.40 1cww n LEU 16 CO 0.00 0.00 1.16 -0.08 0.00 0.00 0.00 177.39 178.47 1cww h GLU 17 N 0.00 0.00 0.04 1.96 4.81 -1.84 0.72 114.58 120.27 1cww h GLU 17 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1cww h GLU 17 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1cww h GLU 17 CO 0.00 0.00 -0.02 0.87 -0.73 0.00 0.00 179.01 179.13 1cww h LYS 18 N 0.00 -0.05 0.00 1.92 6.56 -1.72 -3.40 116.57 119.88 1cww h LYS 18 Ca 0.03 0.00 -0.21 0.00 -1.06 0.00 0.00 60.65 59.42 1cww h LYS 18 Cb 0.31 0.01 -0.04 0.00 -0.57 0.00 0.00 32.23 31.94 1cww h LYS 18 CO -0.00 0.42 -1.78 -3.47 -2.06 0.00 0.00 179.45 172.56 1cww n ASP 19 N -4.88 2.35 -4.64 0.86 2.03 0.78 -4.97 116.55 108.08 1cww n ASP 19 Ca -0.08 -0.01 -0.44 0.00 0.52 0.00 0.00 54.79 54.77 1cww n ASP 19 Cb 0.26 0.59 -0.04 0.00 -0.72 0.00 0.00 41.12 41.21 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 -2.51 0.61 -3.94 5.18 5.41 0.25 -4.98 119.36 119.38 1cww n ILE 20 Ca -0.20 -0.21 -0.22 0.00 1.00 0.00 0.00 62.75 63.12 1cww n ILE 20 Cb 0.85 -2.25 -0.05 0.00 -0.71 0.00 0.00 39.64 37.48 1cww n ILE 20 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1cww s LYS 21 N 4.90 2.46 0.00 0.38 3.01 -1.26 -4.72 119.74 124.50 1cww s LYS 21 Ca 0.94 -1.54 0.00 0.00 -1.01 0.00 0.00 55.97 54.36 1cww s LYS 21 Cb -0.49 -2.25 0.00 0.00 -1.01 0.00 0.00 37.83 34.08 1cww s LYS 21 CO 0.43 0.01 0.00 -2.37 0.51 0.00 0.00 175.35 173.94 1cww n THR 22 N -1.29 0.00 0.00 2.17 5.66 -1.26 -4.66 114.28 114.90 1cww n THR 22 Ca -0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 1cww n THR 22 Cb 0.62 0.08 0.00 0.00 -1.55 0.00 0.00 70.33 69.47 1cww n THR 22 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1cww n SER 23 N -1.52 0.00 -0.06 1.09 3.41 -1.26 -2.11 113.62 113.17 1cww n SER 23 Ca 0.00 0.59 -0.11 0.00 -0.26 0.00 0.00 58.87 59.09 1cww n SER 23 Cb 0.13 -0.09 -0.05 0.00 -0.26 0.00 0.00 64.21 63.94 1cww n SER 23 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1cww h TYR 24 N 0.00 0.33 -0.61 7.33 -1.99 -1.99 -2.07 116.97 117.97 1cww h TYR 24 Ca 0.00 -0.04 0.11 0.00 2.00 0.00 0.00 58.73 60.80 1cww h TYR 24 Cb 0.00 -0.09 -0.08 0.00 2.00 0.00 0.00 36.73 38.56 1cww h TYR 24 CO 0.01 0.43 0.19 0.82 -0.00 0.00 0.00 178.16 179.61 1cww h ILE 25 N 0.14 0.71 0.00 -2.88 2.04 -1.83 0.10 117.51 115.79 1cww h ILE 25 Ca 0.06 -0.12 -0.11 0.00 1.00 0.00 0.00 64.86 65.70 1cww h ILE 25 Cb 0.27 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 1cww h ILE 25 CO 0.00 0.06 -0.52 -0.03 0.00 0.00 0.00 178.15 177.66 1cww h MET 26 N 0.34 0.00 -0.33 2.37 4.05 -1.42 -2.39 114.93 117.56 1cww h MET 26 Ca 0.32 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.67 1cww h MET 26 Cb 0.44 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.22 1cww h MET 26 CO -0.35 0.52 -0.08 0.22 0.23 0.00 0.00 176.91 177.45 1cww h ASP 27 N 0.00 0.51 0.60 1.39 3.58 -0.14 -0.15 116.42 122.22 1cww h ASP 27 Ca -0.01 -0.12 -0.16 0.00 0.42 0.00 0.00 57.03 57.16 1cww h ASP 27 Cb 1.02 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.92 1cww h ASP 27 CO 0.07 0.64 -0.74 0.45 -2.88 0.00 0.00 179.24 176.78 1cww h HIS 28 N 0.50 0.15 -0.07 0.28 3.86 -0.81 -2.40 115.15 116.66 1cww h HIS 28 Ca 0.10 -0.07 -0.21 0.00 -1.16 0.00 0.00 60.37 59.02 1cww h HIS 28 Cb 0.44 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.90 1cww h HIS 28 CO 0.02 0.81 -0.83 0.52 0.86 0.00 0.00 177.93 179.31 1cww h MET 29 N 0.07 0.52 -0.09 2.45 2.86 -0.82 -1.40 114.93 118.51 1cww h MET 29 Ca -0.02 -0.47 -0.18 0.00 -2.06 0.00 0.00 59.70 56.97 1cww h MET 29 Cb 1.30 0.11 0.01 0.00 0.06 0.00 0.00 31.60 33.08 1cww h MET 29 CO 0.11 1.10 -0.66 0.82 1.06 0.00 0.00 176.91 179.34 1cww h ILE 30 N 0.33 1.34 0.00 -1.22 2.04 -1.08 -1.81 117.51 117.11 1cww h ILE 30 Ca -0.06 -1.95 -0.04 0.00 1.00 0.00 0.00 64.86 63.81 1cww h ILE 30 Cb 1.44 2.21 -0.01 0.00 -0.74 0.00 0.00 36.82 39.72 1cww h ILE 30 CO 0.15 0.59 -0.20 0.28 0.00 0.00 0.00 178.15 178.97 1cww h SER 31 N 0.24 0.00 1.08 1.72 0.02 -1.49 -0.02 113.55 115.10 1cww h SER 31 Ca -0.06 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.83 1cww h SER 31 Cb 1.31 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.84 1cww h SER 31 CO 0.13 0.20 -0.29 -0.78 -1.14 0.00 0.00 176.83 174.95 1cww h ASP 32 N 0.00 0.00 0.00 3.07 3.58 -1.07 -3.47 116.42 118.53 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 0.54 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.59 1cww h ASP 32 CO 0.03 0.29 0.00 0.61 -2.88 0.00 0.00 179.24 177.29 1cww n GLY 33 N 0.43 0.66 0.09 -0.78 0.00 -0.02 -4.95 105.19 100.62 1cww n GLY 33 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.24 -3.36 1.61 -1.00 -1.56 -3.44 116.94 109.42 1cww h PHE 34 Ca 0.00 -0.17 -0.60 0.00 2.81 0.00 0.00 57.97 60.01 1cww h PHE 34 Cb 0.00 -0.01 -0.11 0.00 3.61 0.00 0.00 35.95 39.44 1cww h PHE 34 CO 0.00 1.20 -0.34 -0.51 -1.61 0.00 0.00 178.31 177.05 1cww s LEU 35 N -6.73 4.21 0.70 1.54 1.02 -0.98 -5.00 118.68 113.43 1cww s LEU 35 Ca -0.05 0.43 -0.01 0.00 0.02 0.00 0.00 54.13 54.52 1cww s LEU 35 Cb 0.08 -2.34 0.11 0.00 0.02 0.00 0.00 46.19 44.06 1cww s LEU 35 CO 0.84 0.07 0.97 0.42 0.02 0.00 0.00 176.35 178.66 1cww s THR 36 N 0.70 2.22 0.30 5.49 -4.23 -1.26 -4.44 115.64 114.41 1cww s THR 36 Ca 0.15 -0.58 -0.01 0.00 -1.18 0.00 0.00 61.69 60.06 1cww s THR 36 Cb -0.13 -2.63 0.27 0.00 1.34 0.00 0.00 72.50 71.34 1cww s THR 36 CO 0.04 0.00 1.96 0.40 -0.54 0.00 0.00 174.62 176.48 1cww h ILE 37 N -0.46 1.18 -0.25 2.99 1.08 -1.98 0.36 117.51 120.43 1cww h ILE 37 Ca -0.38 -0.37 -0.08 0.00 -0.39 0.00 0.00 64.86 63.64 1cww h ILE 37 Cb 1.27 -0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 35.00 1cww h ILE 37 CO 0.43 0.20 -0.19 -1.28 -0.69 0.00 0.00 178.15 176.62 1cww h SER 38 N 1.09 0.44 0.00 1.72 0.87 -1.99 0.29 113.55 115.97 1cww h SER 38 Ca 0.32 -0.13 -0.19 0.00 -1.23 0.00 0.00 61.79 60.56 1cww h SER 38 Cb -0.05 -0.12 0.02 0.00 -0.44 0.00 0.00 62.40 61.81 1cww h SER 38 CO -0.08 0.65 -0.76 -0.33 -0.53 0.00 0.00 176.83 175.78 1cww h GLU 39 N 0.41 0.51 -0.08 2.24 5.08 -1.60 -3.13 114.58 118.01 1cww h GLU 39 Ca 0.07 -0.55 -0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1cww h GLU 39 Cb 0.56 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 1cww h GLU 39 CO 0.04 1.18 0.05 1.49 -1.00 0.00 0.00 179.01 180.77 1cww h GLU 40 N 0.07 0.12 -0.06 2.33 4.81 -0.10 -2.83 114.58 118.91 1cww h GLU 40 Ca -0.09 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1cww h GLU 40 Cb 1.45 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.75 1cww h GLU 40 CO 0.15 0.14 -0.40 1.49 -0.73 0.00 0.00 179.01 179.66 1cww h GLU 41 N 0.06 -0.50 -0.26 1.92 4.81 -0.51 -1.21 114.58 118.88 1cww h GLU 41 Ca 0.03 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1cww h GLU 41 Cb 0.06 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1cww h GLU 41 CO -0.01 -0.34 0.07 -0.22 -0.73 0.00 0.00 179.01 177.79 1cww h LYS 42 N -0.52 0.41 -0.81 1.92 3.64 -1.57 0.35 116.57 120.00 1cww h LYS 42 Ca 0.06 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1cww h LYS 42 Cb 0.63 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.35 1cww h LYS 42 CO -0.35 0.50 0.52 0.28 -2.27 0.00 0.00 179.45 178.13 1cww h VAL 43 N 0.25 1.14 0.00 2.00 2.07 -1.40 -2.13 116.25 118.19 1cww h VAL 43 Ca 0.08 -0.35 -0.13 0.00 0.82 0.00 0.00 66.70 67.12 1cww h VAL 43 Cb 0.26 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 1cww h VAL 43 CO -0.00 0.19 -0.61 0.03 0.02 0.00 0.00 177.57 177.19 1cww h ARG 44 N 1.02 0.00 -0.27 1.57 3.08 -1.13 -3.25 114.38 115.41 1cww h ARG 44 Ca 0.32 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.35 1cww h ARG 44 Cb -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1cww h ARG 44 CO -0.10 0.61 0.09 -0.97 -1.07 0.00 0.00 179.97 178.53 1cww h ASN 45 N 0.00 0.34 -4.04 7.04 -1.24 0.37 -3.43 115.58 114.61 1cww h ASN 45 Ca -0.01 -0.03 -0.54 0.00 0.71 0.00 0.00 56.30 56.43 1cww h ASN 45 Cb 1.41 -0.09 0.12 0.00 0.73 0.00 0.00 38.32 40.50 1cww h ASN 45 CO 0.08 0.33 0.58 -1.61 -1.29 0.00 0.00 177.43 175.52 1cww s GLU 46 N -5.16 3.22 0.08 6.67 0.41 -1.05 -4.96 118.70 117.91 1cww s GLU 46 Ca -0.07 2.13 0.01 0.00 -0.41 0.00 0.00 54.97 56.62 1cww s GLU 46 Cb 0.17 -2.25 -0.25 0.00 -1.78 0.00 0.00 34.13 30.01 1cww s GLU 46 CO 0.73 -1.09 1.14 -1.00 -0.49 0.00 0.00 175.26 174.54 1cww h PRO 47 N 1.50 0.16 -4.96 0.39 0.13 -1.91 -3.45 132.00 123.87 1cww h PRO 47 Ca -0.51 -0.27 -0.43 0.00 -0.87 0.00 0.00 66.00 63.92 1cww h PRO 47 Cb 1.29 0.10 -0.14 0.00 0.13 0.00 0.00 31.00 32.38 1cww h PRO 47 CO 0.57 1.10 -0.57 0.95 -0.23 0.00 0.00 178.00 179.82 1cww s THR 48 N -2.67 0.57 0.66 1.56 -4.23 -1.26 -4.99 115.64 105.27 1cww s THR 48 Ca -0.03 -2.00 0.35 0.00 -1.18 0.00 0.00 61.69 58.83 1cww s THR 48 Cb 0.08 -2.57 0.36 0.00 1.34 0.00 0.00 72.50 71.72 1cww s THR 48 CO 0.85 0.00 2.10 -0.61 -0.54 0.00 0.00 174.62 176.42 1cww h GLN 49 N 2.18 0.00 0.00 3.99 4.15 -1.95 0.11 115.11 123.59 1cww h GLN 49 Ca -0.36 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.06 1cww h GLN 49 Cb 1.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.94 1cww h GLN 49 CO 0.58 0.00 0.00 0.94 -1.93 0.00 0.00 178.83 178.42 1cww n GLN 50 N -3.09 0.00 0.03 1.69 7.27 -1.26 -0.31 117.38 121.72 1cww n GLN 50 Ca -0.02 0.63 0.12 0.00 0.07 0.00 0.00 57.00 57.80 1cww n GLN 50 Cb 0.27 -1.29 0.25 0.00 2.41 0.00 0.00 30.24 31.88 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 -1.91 0.15 0.15 3.69 1.13 -1.11 -2.52 117.38 116.96 1cww n GLN 51 Ca 0.00 0.05 -0.09 0.00 -1.94 0.00 0.00 57.00 55.02 1cww n GLN 51 Cb 0.00 -1.60 -0.05 0.00 0.11 0.00 0.00 30.24 28.70 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 0.00 -0.44 -0.52 -1.09 2.43 -0.64 0.15 114.38 114.27 1cww h ARG 52 Ca 0.00 0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.09 1cww h ARG 52 Cb 0.62 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 1cww h ARG 52 CO 0.00 -0.19 -0.11 0.00 -1.51 0.00 0.00 179.97 178.16 1cww h ALA 53 N -0.89 0.81 -0.38 2.80 0.00 -0.82 -2.25 119.26 118.52 1cww h ALA 53 Ca -0.05 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1cww h ALA 53 Cb 0.45 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1cww h ALA 53 CO 0.08 0.66 0.06 0.00 0.00 0.00 0.00 179.25 180.05 1cww h ALA 54 N 0.99 1.40 -0.24 0.00 0.00 -1.52 -0.83 119.26 119.05 1cww h ALA 54 Ca 0.14 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1cww h ALA 54 Cb 0.66 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1cww h ALA 54 CO 0.05 0.43 -0.12 1.98 0.00 0.00 0.00 179.25 181.59 1cww h MET 55 N 0.56 0.51 0.32 0.00 -1.53 -0.35 0.35 114.93 114.79 1cww h MET 55 Ca 0.13 -0.22 -0.01 0.00 -3.44 0.00 0.00 59.70 56.16 1cww h MET 55 Cb 0.26 -0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 31.29 1cww h MET 55 CO 0.00 0.77 -0.21 1.25 0.14 0.00 0.00 176.91 178.86 1cww h LEU 56 N 0.23 -0.54 -1.57 3.39 5.85 -1.10 0.36 115.31 121.94 1cww h LEU 56 Ca 0.05 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1cww h LEU 56 Cb 0.62 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.81 1cww h LEU 56 CO 0.04 -0.34 0.00 0.40 -0.34 0.00 0.00 178.44 178.20 1cww h ILE 57 N -0.52 0.00 0.12 4.05 1.08 -1.16 -2.47 117.51 118.61 1cww h ILE 57 Ca -0.03 -0.40 -0.27 0.00 -0.39 0.00 0.00 64.86 63.77 1cww h ILE 57 Cb 0.44 1.36 0.00 0.00 -3.07 0.00 0.00 36.82 35.55 1cww h ILE 57 CO 0.02 0.00 -1.24 0.50 -0.69 0.00 0.00 178.15 176.74 1cww h LYS 58 N 0.00 0.25 -0.10 2.37 3.64 0.44 -1.92 116.57 121.25 1cww h LYS 58 Ca 0.00 -0.43 0.01 0.00 -1.27 0.00 0.00 60.65 58.96 1cww h LYS 58 Cb 0.42 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1cww h LYS 58 CO 0.00 1.20 0.04 0.52 -2.27 0.00 0.00 179.45 178.94 1cww h MET 59 N 0.07 0.09 -0.42 1.90 2.86 -0.48 -1.81 114.93 117.15 1cww h MET 59 Ca -0.13 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 1cww h MET 59 Cb 1.96 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 33.58 1cww h MET 59 CO 0.20 0.06 0.20 0.82 1.06 0.00 0.00 176.91 179.25 1cww h ILE 60 N 0.09 1.15 -0.18 -1.22 2.04 -1.56 0.67 117.51 118.51 1cww h ILE 60 Ca 0.04 -0.41 0.05 0.00 1.00 0.00 0.00 64.86 65.54 1cww h ILE 60 Cb 0.02 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1cww h ILE 60 CO -0.04 0.17 0.19 0.25 0.00 0.00 0.00 178.15 178.72 1cww h LEU 61 N 0.58 0.00 -5.20 1.44 7.12 -0.49 -2.57 115.31 116.19 1cww h LEU 61 Ca 0.15 0.00 -0.27 0.00 0.13 0.00 0.00 57.88 57.89 1cww h LEU 61 Cb 0.07 0.00 -0.40 0.00 -0.53 0.00 0.00 40.66 39.80 1cww h LEU 61 CO -0.02 0.00 -1.09 1.17 -0.13 0.00 0.00 178.44 178.37 1cww n LYS 62 N -3.86 1.85 0.00 1.25 4.81 -0.59 -5.03 118.16 116.59 1cww n LYS 62 Ca 0.01 -3.53 0.00 0.00 -0.87 0.00 0.00 58.31 53.93 1cww n LYS 62 Cb 0.31 -1.62 0.00 0.00 0.02 0.00 0.00 35.03 33.73 1cww n LYS 62 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1cww n LYS 63 N -0.58 2.62 -4.24 1.64 3.00 0.13 -5.00 118.16 115.73 1cww n LYS 63 Ca 0.10 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.28 1cww n LYS 63 Cb 0.83 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 35.75 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 -0.36 1.13 0.26 3.14 1.01 -1.26 -3.15 116.67 117.44 1cww s ASP 64 Ca 0.00 -1.19 -0.04 0.00 0.71 0.00 0.00 52.55 52.03 1cww s ASP 64 Cb 0.00 0.14 0.36 0.00 1.01 0.00 0.00 42.92 44.42 1cww s ASP 64 CO 0.00 -0.59 1.91 -1.13 0.21 0.00 0.00 175.17 175.57 1cww h ASN 65 N 2.69 1.08 -0.09 0.27 -0.73 -1.65 -0.26 115.58 116.88 1cww h ASN 65 Ca -0.37 -0.01 0.04 0.00 1.87 0.00 0.00 56.30 57.83 1cww h ASN 65 Cb 1.21 -0.25 -0.05 0.00 0.27 0.00 0.00 38.32 39.50 1cww h ASN 65 CO 0.62 0.74 -0.19 -0.78 -0.37 0.00 0.00 177.43 177.45 1cww h ASP 66 N 1.25 -0.58 0.50 1.15 3.58 -1.96 0.23 116.42 120.58 1cww h ASP 66 Ca 0.39 0.10 -0.08 0.00 0.42 0.00 0.00 57.03 57.86 1cww h ASP 66 Cb 0.01 0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 1cww h ASP 66 CO -0.12 -0.24 -0.39 0.28 -2.88 0.00 0.00 179.24 175.88 1cww h SER 67 N -0.26 0.00 -0.32 2.28 0.02 -1.85 -2.54 113.55 110.89 1cww h SER 67 Ca 0.09 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 1cww h SER 67 Cb 0.38 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1cww h SER 67 CO -0.24 0.39 0.02 0.22 -1.14 0.00 0.00 176.83 176.08 1cww h TYR 68 N 0.00 0.58 -0.09 3.45 3.20 0.08 0.63 116.97 124.82 1cww h TYR 68 Ca -0.00 -0.09 -0.05 0.00 3.14 0.00 0.00 58.73 61.73 1cww h TYR 68 Cb 0.75 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 1cww h TYR 68 CO 0.00 0.65 -0.16 0.28 -1.64 0.00 0.00 178.16 177.28 1cww h VAL 69 N 0.35 1.17 0.05 1.81 2.07 -0.38 0.31 116.25 121.63 1cww h VAL 69 Ca 0.09 -0.77 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 1cww h VAL 69 Cb 0.40 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1cww h VAL 69 CO 0.01 0.23 -0.03 -1.28 0.02 0.00 0.00 177.57 176.53 1cww h SER 70 N 0.14 -0.06 -1.00 0.57 0.87 -0.97 -0.23 113.55 112.87 1cww h SER 70 Ca 0.03 -0.45 0.12 0.00 -1.23 0.00 0.00 61.79 60.26 1cww h SER 70 Cb 0.38 0.02 -0.08 0.00 -0.44 0.00 0.00 62.40 62.27 1cww h SER 70 CO 0.02 0.43 0.63 0.15 -0.53 0.00 0.00 176.83 177.54 1cww h PHE 71 N -0.57 1.14 -0.05 2.24 3.57 0.73 0.48 116.94 124.47 1cww h PHE 71 Ca -0.01 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.54 1cww h PHE 71 Cb 0.50 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 1cww h PHE 71 CO 0.09 0.46 -0.03 -0.92 -2.23 0.00 0.00 178.31 175.68 1cww h TYR 72 N 1.00 -0.08 -0.09 0.41 3.20 -0.28 -1.53 116.97 119.61 1cww h TYR 72 Ca 0.49 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.34 1cww h TYR 72 Cb 0.47 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 1cww h TYR 72 CO -0.00 -0.06 -0.08 -0.97 -1.64 0.00 0.00 178.16 175.41 1cww h ASN 73 N -0.04 0.11 -0.16 -2.11 -1.24 0.87 -1.94 115.58 111.07 1cww h ASN 73 Ca 0.03 -0.02 -0.10 0.00 0.71 0.00 0.00 56.30 56.93 1cww h ASN 73 Cb 0.09 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.09 1cww h ASN 73 CO -0.08 0.22 -0.23 0.00 -1.29 0.00 0.00 177.43 176.05 1cww h ALA 74 N 1.80 1.01 -0.24 1.57 0.00 0.79 0.97 119.26 125.16 1cww h ALA 74 Ca 0.03 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1cww h ALA 74 Cb 0.23 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1cww h ALA 74 CO 0.01 0.59 -0.12 -0.07 0.00 0.00 0.00 179.25 179.66 1cww h LEU 75 N 0.54 0.38 0.00 0.00 3.38 -0.53 -0.99 115.31 118.09 1cww h LEU 75 Ca 0.08 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1cww h LEU 75 Cb 0.68 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1cww h LEU 75 CO 0.05 0.54 -0.06 -0.07 0.09 0.00 0.00 178.44 178.99 1cww h LEU 76 N 0.37 0.00 -1.01 1.67 4.07 -1.14 -0.51 115.31 118.77 1cww h LEU 76 Ca 0.07 -0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.96 1cww h LEU 76 Cb 0.44 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.17 1cww h LEU 76 CO 0.03 0.00 -0.32 0.45 -1.08 0.00 0.00 178.44 177.52 1cww h HIS 77 N 0.00 0.00 0.00 1.13 3.86 0.53 -3.44 115.15 117.23 1cww h HIS 77 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1cww h HIS 77 Cb 0.98 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.45 1cww h HIS 77 CO 0.00 0.32 0.00 0.39 0.86 0.00 0.00 177.93 179.50 1cww n GLU 78 N -3.50 2.41 -2.61 2.45 -0.58 -0.95 -5.06 120.64 112.81 1cww n GLU 78 Ca -0.00 0.00 -0.25 0.00 -0.42 0.00 0.00 57.16 56.49 1cww n GLU 78 Cb 0.48 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.34 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 5.00 5.43 2.59 0.62 0.00 -1.23 -4.78 105.19 112.81 1cww n GLY 79 Ca 0.00 -2.60 -0.10 0.00 0.00 0.00 0.00 46.02 43.32 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 -0.37 1.78 0.50 1.61 4.01 -0.21 -4.85 117.16 119.62 1cww n TYR 80 Ca 0.34 -2.44 0.13 0.00 -0.16 0.00 0.00 57.90 55.77 1cww n TYR 80 Cb 0.62 -0.27 0.45 0.00 -0.31 0.00 0.00 39.34 39.83 1cww n TYR 80 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 1cww n LYS 81 N -0.47 0.23 0.05 -0.72 2.85 -1.23 -2.57 118.16 116.31 1cww n LYS 81 Ca 0.19 0.33 -0.12 0.00 -1.05 0.00 0.00 58.31 57.66 1cww n LYS 81 Cb 0.82 -1.85 -0.13 0.00 -0.65 0.00 0.00 35.03 33.22 1cww n LYS 81 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 177.40 177.73 1cww h ASP 82 N 0.00 0.19 -0.39 -5.58 3.04 -1.92 0.89 116.42 112.65 1cww h ASP 82 Ca 0.00 -0.24 -0.10 0.00 -3.24 0.00 0.00 57.03 53.45 1cww h ASP 82 Cb 0.55 -0.06 -0.01 0.00 -1.04 0.00 0.00 39.33 38.76 1cww h ASP 82 CO 0.00 1.20 -0.15 0.25 -2.04 0.00 0.00 179.24 178.50 1cww h LEU 83 N 0.03 0.80 -1.51 0.15 7.12 -1.94 -1.80 115.31 118.17 1cww h LEU 83 Ca -0.15 -0.39 -0.03 0.00 0.13 0.00 0.00 57.88 57.44 1cww h LEU 83 Cb 1.92 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 41.82 1cww h LEU 83 CO 0.14 1.01 -0.03 0.00 -0.13 0.00 0.00 178.44 179.44 1cww h ALA 84 N 0.82 1.60 0.00 1.25 0.00 -1.51 -1.19 119.26 120.23 1cww h ALA 84 Ca 0.09 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1cww h ALA 84 Cb 0.69 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1cww h ALA 84 CO 0.05 0.29 -0.34 0.00 0.00 0.00 0.00 179.25 179.26 1cww h ALA 85 N 1.70 1.23 0.00 0.00 0.00 -0.04 0.16 119.26 122.30 1cww h ALA 85 Ca 0.06 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1cww h ALA 85 Cb 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1cww h ALA 85 CO 0.01 0.42 0.00 -0.07 0.00 0.00 0.00 179.25 179.61 1cww h LEU 86 N 0.00 0.00 -1.71 0.00 3.38 -0.42 -2.20 115.31 114.36 1cww h LEU 86 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1cww h LEU 86 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1cww h LEU 86 CO 0.04 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.75 1cww n LEU 87 N -2.57 1.98 -0.27 1.67 4.32 -0.20 -4.61 117.00 117.32 1cww n LEU 87 Ca 0.02 -1.23 0.00 0.00 -0.02 0.00 0.00 56.01 54.78 1cww n LEU 87 Cb 0.27 -0.04 0.21 0.00 -1.62 0.00 0.00 43.42 42.23 1cww n LEU 87 CO 0.23 0.42 1.26 -0.74 -1.22 0.00 0.00 177.39 177.34 1cww h HIS 88 N 1.73 1.04 -0.02 -1.77 2.76 -0.11 0.55 115.15 119.33 1cww h HIS 88 Ca 0.00 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.14 1cww h HIS 88 Cb 0.45 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 29.05 1cww h HIS 88 CO 0.04 0.65 -0.25 0.22 -1.30 0.00 0.00 177.93 177.29 1cww h ASP 89 N 1.12 0.03 0.39 3.26 1.82 -1.82 -2.36 116.42 118.87 1cww h ASP 89 Ca 0.31 -0.01 -0.19 0.00 -0.39 0.00 0.00 57.03 56.75 1cww h ASP 89 Cb -0.10 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 39.89 1cww h ASP 89 CO -0.07 0.29 -0.81 1.23 -1.61 0.00 0.00 179.24 178.26 1cww h GLY 90 N 0.79 0.35 -6.95 -0.78 0.00 -1.25 -3.42 103.07 91.82 1cww h GLY 90 Ca 0.00 -0.56 -0.56 0.00 0.00 0.00 0.00 47.33 46.22 1cww h GLY 90 CO 0.03 0.50 1.17 -0.42 0.00 0.00 0.00 176.54 177.81 1cww s ILE 91 N -3.42 3.70 0.02 2.60 -1.09 -0.50 -4.63 121.20 117.88 1cww s ILE 91 Ca -0.05 0.67 -0.23 0.00 -2.23 0.00 0.00 60.65 58.81 1cww s ILE 91 Cb 0.10 -4.07 -0.13 0.00 -1.58 0.00 0.00 42.46 36.78 1cww s ILE 91 CO 0.84 -0.76 1.13 -0.65 -1.23 0.00 0.00 174.94 174.26 1cww h PRO 92 N 11.85 -0.81 -4.38 2.79 0.11 -1.83 -3.40 132.00 136.33 1cww h PRO 92 Ca -0.29 0.06 -0.72 0.00 0.11 0.00 0.00 66.00 65.15 1cww h PRO 92 Cb 1.13 0.18 -0.26 0.00 0.11 0.00 0.00 31.00 32.16 1cww h PRO 92 CO 1.10 -0.54 -0.41 0.08 -0.21 0.00 0.00 178.00 178.02 1cww s VAL 93 N -4.49 4.55 -1.36 3.15 1.01 -1.26 -4.99 120.40 117.00 1cww s VAL 93 Ca -0.12 -1.34 -0.16 0.00 0.00 0.00 0.00 61.98 60.36 1cww s VAL 93 Cb 0.01 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.64 1cww s VAL 93 CO 0.37 -0.56 2.04 0.52 0.00 0.00 0.00 175.10 177.47 1cww n VAL 94 N 5.01 3.47 -4.28 2.92 0.31 -1.26 -4.87 118.33 119.63 1cww n VAL 94 Ca -0.11 -3.26 -0.15 0.00 -0.01 0.00 0.00 64.34 60.81 1cww n VAL 94 Cb 0.43 -2.49 -0.10 0.00 -0.91 0.00 0.00 33.84 30.76 1cww n VAL 94 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1cww s SER 95 N 3.74 1.70 -0.31 4.52 1.04 -1.26 -5.07 113.70 118.07 1cww s SER 95 Ca 0.51 -1.13 0.17 0.00 0.48 0.00 0.00 55.95 55.97 1cww s SER 95 Cb 0.10 0.02 0.48 0.00 0.10 0.00 0.00 66.02 66.72 1cww s SER 95 CO -0.01 -0.46 1.07 -1.20 0.98 0.00 0.00 173.24 173.62 1cww n SER 96 N -0.30 2.46 -0.34 7.02 7.64 -1.26 -4.94 113.62 123.89 1cww n SER 96 Ca -0.07 -2.72 0.04 0.00 1.01 0.00 0.00 58.87 57.13 1cww n SER 96 Cb 0.63 -0.47 0.04 0.00 -1.01 0.00 0.00 64.21 63.39 1cww n SER 96 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83