#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cpw s TRP 2 N 0.00 3.74 0.21 0.66 1.48 -1.26 -5.07 118.94 118.71 3cpw s TRP 2 Ca 0.00 1.52 -0.10 0.00 -1.06 0.00 0.00 56.10 56.45 3cpw s TRP 2 Cb 0.00 -2.70 -0.07 0.00 -1.16 0.00 0.00 33.47 29.54 3cpw s TRP 2 CO 0.00 0.39 0.54 -0.51 -4.06 0.00 0.00 176.95 173.31 3cpw s ASP 3 N -1.47 6.65 -0.02 -2.66 1.01 -1.26 -5.04 116.67 113.89 3cpw s ASP 3 Ca 0.41 0.93 -0.21 0.00 0.71 0.00 0.00 52.55 54.39 3cpw s ASP 3 Cb -0.19 -2.23 -0.12 0.00 1.01 0.00 0.00 42.92 41.38 3cpw s ASP 3 CO 0.23 -0.04 0.89 0.58 0.21 0.00 0.00 175.17 177.04 3cpw h VAL 4 N 2.14 0.22 -3.37 -1.27 2.07 -1.95 -3.41 116.25 110.69 3cpw h VAL 4 Ca -0.47 -0.58 -0.57 0.00 0.82 0.00 0.00 66.70 65.89 3cpw h VAL 4 Cb 1.17 0.35 -0.07 0.00 -1.52 0.00 0.00 31.29 31.22 3cpw h VAL 4 CO 0.69 0.05 0.10 -0.63 0.02 0.00 0.00 177.57 177.79 3cpw s ILE 5 N -3.93 5.04 -0.20 4.57 1.01 -1.26 -1.86 121.20 124.57 3cpw s ILE 5 Ca -0.11 1.32 -0.16 0.00 0.00 0.00 0.00 60.65 61.69 3cpw s ILE 5 Cb 0.01 -3.99 -0.12 0.00 0.01 0.00 0.00 42.46 38.37 3cpw s ILE 5 CO 0.37 0.20 -0.08 0.29 0.00 0.00 0.00 174.94 175.72 3cpw n LYS 6 N 4.29 0.54 -3.60 2.79 5.02 -0.73 -4.98 118.16 121.49 3cpw n LYS 6 Ca -0.01 0.45 -0.05 0.00 -2.02 0.00 0.00 58.31 56.68 3cpw n LYS 6 Cb 0.51 -1.64 -0.02 0.00 -0.02 0.00 0.00 35.03 33.85 3cpw n LYS 6 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 3cpw s HIS 7 N -2.43 -0.15 0.32 2.13 -3.43 -1.16 -5.02 115.29 105.55 3cpw s HIS 7 Ca -0.28 0.12 -0.29 0.00 -0.80 0.00 0.00 55.06 53.82 3cpw s HIS 7 Cb 0.07 0.51 -0.10 0.00 -1.43 0.00 0.00 32.58 31.62 3cpw s HIS 7 CO 0.46 -0.21 1.31 -2.14 -2.00 0.00 0.00 174.74 172.16 3cpw s PRO 8 N -2.19 4.35 -0.64 -0.38 0.02 -1.26 -0.77 135.00 134.13 3cpw s PRO 8 Ca 0.08 2.22 -0.16 0.00 0.02 0.00 0.00 61.00 63.16 3cpw s PRO 8 Cb -0.01 -3.08 0.15 0.00 0.02 0.00 0.00 34.50 31.59 3cpw s PRO 8 CO -0.05 -0.20 0.62 -1.58 -0.33 0.00 0.00 177.00 175.46 3cpw s HIS 9 N -1.04 3.36 -0.41 6.54 2.46 -0.18 -4.76 115.29 121.26 3cpw s HIS 9 Ca 0.50 -1.45 -0.14 0.00 0.47 0.00 0.00 55.06 54.44 3cpw s HIS 9 Cb -0.40 -3.85 0.03 0.00 -0.13 0.00 0.00 32.58 28.24 3cpw s HIS 9 CO 0.52 -1.06 0.29 0.54 -2.47 0.00 0.00 174.74 172.56 3cpw s VAL 10 N 1.38 5.06 0.24 0.89 0.11 -1.26 -4.63 120.40 122.19 3cpw s VAL 10 Ca 0.09 -0.80 -0.06 0.00 -2.93 0.00 0.00 61.98 58.28 3cpw s VAL 10 Cb -0.23 -3.87 -0.02 0.00 -1.53 0.00 0.00 36.38 30.73 3cpw s VAL 10 CO -0.00 -0.35 0.33 0.42 -3.33 0.00 0.00 175.10 172.17 3cpw s THR 11 N 1.64 0.00 0.15 5.04 -4.23 -1.26 -5.00 115.64 111.97 3cpw s THR 11 Ca 0.04 -1.70 -0.19 0.00 -1.18 0.00 0.00 61.69 58.66 3cpw s THR 11 Cb -0.20 -2.40 0.04 0.00 1.34 0.00 0.00 72.50 71.28 3cpw s THR 11 CO 0.08 0.00 1.68 -0.33 -0.54 0.00 0.00 174.62 175.51 3cpw h GLU 12 N 2.38 -0.02 -0.21 3.99 3.07 -2.00 0.28 114.58 122.07 3cpw h GLU 12 Ca -0.30 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.51 3cpw h GLU 12 Cb 1.25 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.15 3cpw h GLU 12 CO 0.43 -0.02 -0.07 -0.22 -1.40 0.00 0.00 179.01 177.73 3cpw h LYS 13 N -0.03 0.33 -0.17 2.33 3.64 -1.98 -1.90 116.57 118.78 3cpw h LYS 13 Ca 0.15 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.35 3cpw h LYS 13 Cb 0.25 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3cpw h LYS 13 CO -0.32 0.42 -0.35 0.00 -2.27 0.00 0.00 179.45 176.92 3cpw h ALA 14 N 1.62 1.08 -0.32 5.00 0.00 -1.43 -2.65 119.26 122.56 3cpw h ALA 14 Ca 0.07 -0.39 -0.15 0.00 0.00 0.00 0.00 54.91 54.44 3cpw h ALA 14 Cb 0.34 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3cpw h ALA 14 CO 0.02 0.58 -0.38 0.52 0.00 0.00 0.00 179.25 179.98 3cpw h MET 15 N 0.31 0.82 -0.58 0.00 2.86 -0.24 -2.53 114.93 115.56 3cpw h MET 15 Ca 0.04 -0.46 -0.02 0.00 -2.06 0.00 0.00 59.70 57.20 3cpw h MET 15 Cb 0.77 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.43 3cpw h MET 15 CO 0.06 1.09 0.28 -0.91 1.06 0.00 0.00 176.91 178.49 3cpw h ASN 16 N 0.59 0.76 0.12 1.22 2.35 -1.32 0.32 115.58 119.61 3cpw h ASN 16 Ca 0.04 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 3cpw h ASN 16 Cb 0.97 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 39.15 3cpw h ASN 16 CO 0.09 0.67 -0.10 0.44 -1.65 0.00 0.00 177.43 176.88 3cpw h ASP 17 N 0.78 0.00 0.19 5.81 5.19 -1.44 0.37 116.42 127.32 3cpw h ASP 17 Ca 0.20 0.00 -0.27 0.00 -0.62 0.00 0.00 57.03 56.34 3cpw h ASP 17 Cb 0.12 0.00 0.03 0.00 0.18 0.00 0.00 39.33 39.65 3cpw h ASP 17 CO -0.03 0.10 -1.22 -0.03 -3.12 0.00 0.00 179.24 174.94 3cpw h MET 18 N 0.00 0.41 0.06 3.56 4.05 -0.84 -0.76 114.93 121.40 3cpw h MET 18 Ca -0.00 -0.69 -0.24 0.00 -0.28 0.00 0.00 59.70 58.49 3cpw h MET 18 Cb 0.18 0.26 -0.00 0.00 -0.80 0.00 0.00 31.60 31.24 3cpw h MET 18 CO 0.01 1.33 -1.06 -0.44 0.23 0.00 0.00 176.91 176.98 3cpw h ASP 19 N -0.11 0.39 0.00 1.39 3.32 -0.07 -3.25 116.42 118.09 3cpw h ASP 19 Ca -0.22 -0.37 -0.13 0.00 0.02 0.00 0.00 57.03 56.33 3cpw h ASP 19 Cb 1.91 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 41.31 3cpw h ASP 19 CO 0.20 1.22 -1.94 0.49 -1.72 0.00 0.00 179.24 177.49 3cpw n PHE 20 N -3.61 0.00 -0.18 4.55 0.99 0.13 -4.70 117.46 114.64 3cpw n PHE 20 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.39 3cpw n PHE 20 Cb 0.92 -0.58 0.00 0.00 -1.00 0.00 0.00 39.48 38.82 3cpw n PHE 20 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 3cpw n GLN 21 N -2.33 1.07 -3.63 -1.08 6.02 -0.82 -5.02 117.38 111.60 3cpw n GLN 21 Ca -0.14 -0.93 -0.25 0.00 -0.01 0.00 0.00 57.00 55.68 3cpw n GLN 21 Cb 0.71 -0.91 0.08 0.00 1.02 0.00 0.00 30.24 31.14 3cpw n GLN 21 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3cpw n ASN 22 N -0.24 -6.20 -4.47 1.08 5.15 -0.82 -4.81 115.26 104.95 3cpw n ASN 22 Ca 0.00 -0.56 -0.31 0.00 -0.60 0.00 0.00 54.58 53.11 3cpw n ASN 22 Cb 0.19 -4.93 -0.12 0.00 -0.53 0.00 0.00 39.78 34.38 3cpw n ASN 22 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3cpw s LYS 23 N -6.34 2.11 0.07 1.20 1.02 -0.35 -1.37 119.74 116.08 3cpw s LYS 23 Ca 0.59 -0.96 0.07 0.00 0.02 0.00 0.00 55.97 55.69 3cpw s LYS 23 Cb -0.26 -2.22 -0.04 0.00 -0.52 0.00 0.00 37.83 34.80 3cpw s LYS 23 CO 0.74 0.54 -0.15 -0.51 -0.92 0.00 0.00 175.35 175.05 3cpw s LEU 24 N -1.46 2.79 -0.07 3.17 1.43 0.25 -3.01 118.68 121.79 3cpw s LEU 24 Ca 0.15 -0.42 0.04 0.00 -1.03 0.00 0.00 54.13 52.88 3cpw s LEU 24 Cb -0.11 -1.63 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 3cpw s LEU 24 CO 0.06 0.22 -0.19 -1.10 0.23 0.00 0.00 176.35 175.57 3cpw s GLN 25 N -1.77 2.66 0.10 1.70 -0.21 -1.26 0.50 119.66 121.38 3cpw s GLN 25 Ca 0.17 -0.80 0.03 0.00 0.02 0.00 0.00 55.36 54.79 3cpw s GLN 25 Cb -0.11 -2.31 -0.04 0.00 1.00 0.00 0.00 33.01 31.55 3cpw s GLN 25 CO 0.08 0.44 -0.09 -0.06 -2.12 0.00 0.00 175.29 173.54 3cpw s PHE 26 N -0.28 1.03 -0.28 0.91 0.40 0.12 -1.01 117.98 118.87 3cpw s PHE 26 Ca 0.01 -0.70 -0.13 0.00 -0.60 0.00 0.00 56.93 55.51 3cpw s PHE 26 Cb -0.13 -0.56 -0.04 0.00 0.51 0.00 0.00 43.02 42.79 3cpw s PHE 26 CO 0.03 -0.02 0.29 0.00 0.70 0.00 0.00 175.22 176.22 3cpw s ALA 27 N -2.65 3.55 0.39 5.36 0.00 0.05 -0.39 121.76 128.07 3cpw s ALA 27 Ca 0.07 -0.95 0.05 0.00 0.00 0.00 0.00 51.96 51.13 3cpw s ALA 27 Cb -0.01 -2.61 -0.06 0.00 0.00 0.00 0.00 23.12 20.43 3cpw s ALA 27 CO -0.01 -0.62 0.03 0.14 0.00 0.00 0.00 175.76 175.31 3cpw s VAL 28 N 1.93 1.58 -0.11 0.00 -7.23 0.95 -1.77 120.40 115.74 3cpw s VAL 28 Ca 0.11 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.99 3cpw s VAL 28 Cb -0.16 -2.81 -0.03 0.00 0.56 0.00 0.00 36.38 33.95 3cpw s VAL 28 CO 0.10 0.00 1.31 -0.62 -0.31 0.00 0.00 175.10 175.58 3cpw s ASP 29 N -3.65 6.93 0.00 4.85 -1.08 -0.77 -2.94 116.67 119.99 3cpw s ASP 29 Ca 0.32 1.82 0.00 0.00 -0.52 0.00 0.00 52.55 54.17 3cpw s ASP 29 Cb 0.08 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 39.00 3cpw s ASP 29 CO 0.15 -0.73 0.37 -0.90 0.52 0.00 0.00 175.17 174.58 3cpw n ASP 30 N 6.21 0.00 -0.09 -0.34 5.75 -1.26 0.47 116.55 127.29 3cpw n ASP 30 Ca 0.13 0.00 0.10 0.00 -0.01 0.00 0.00 54.79 55.01 3cpw n ASP 30 Cb 0.45 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.45 3cpw n ASP 30 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3cpw n ARG 31 N -0.86 0.64 -2.69 0.11 1.74 -1.26 -4.95 116.66 109.39 3cpw n ARG 31 Ca 0.00 -0.18 -0.41 0.00 -0.77 0.00 0.00 57.85 56.49 3cpw n ARG 31 Cb 0.00 -1.43 -0.05 0.00 -1.02 0.00 0.00 32.46 29.96 3cpw n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3cpw s ALA 32 N -2.76 3.31 0.67 7.54 0.00 0.18 -5.06 121.76 125.63 3cpw s ALA 32 Ca 0.09 0.65 -0.03 0.00 0.00 0.00 0.00 51.96 52.68 3cpw s ALA 32 Cb 0.15 -3.27 0.08 0.00 0.00 0.00 0.00 23.12 20.08 3cpw s ALA 32 CO 0.76 0.02 0.94 -1.54 0.00 0.00 0.00 175.76 175.94 3cpw s SER 33 N -0.49 4.75 0.22 0.00 1.04 -1.26 -4.89 113.70 113.07 3cpw s SER 33 Ca 0.45 0.05 -0.09 0.00 0.48 0.00 0.00 55.95 56.85 3cpw s SER 33 Cb -0.26 -0.68 0.18 0.00 0.10 0.00 0.00 66.02 65.37 3cpw s SER 33 CO 0.32 -1.57 1.88 0.11 0.98 0.00 0.00 173.24 174.96 3cpw h LYS 34 N -0.40 1.11 -0.23 4.02 1.57 -1.97 -0.52 116.57 120.15 3cpw h LYS 34 Ca -0.41 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.29 3cpw h LYS 34 Cb 1.29 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 3cpw h LYS 34 CO 0.51 0.76 0.14 0.78 -0.57 0.00 0.00 179.45 181.06 3cpw h GLY 35 N 1.13 0.32 1.98 3.86 0.00 -1.96 -0.48 103.07 107.90 3cpw h GLY 35 Ca 0.30 -0.11 -0.06 0.00 0.00 0.00 0.00 47.33 47.46 3cpw h GLY 35 CO -0.06 0.10 -0.28 0.83 0.00 0.00 0.00 176.54 177.14 3cpw h GLU 36 N 0.29 0.03 -0.09 4.80 5.08 -1.82 -2.16 114.58 120.71 3cpw h GLU 36 Ca 0.09 -0.01 -0.22 0.00 -1.00 0.00 0.00 59.36 58.22 3cpw h GLU 36 Cb -0.02 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.23 3cpw h GLU 36 CO -0.03 0.31 -0.83 0.28 -1.00 0.00 0.00 179.01 177.73 3cpw h VAL 37 N 0.03 1.32 0.30 3.13 2.07 -0.67 -2.36 116.25 120.07 3cpw h VAL 37 Ca 0.00 -2.13 -0.01 0.00 0.82 0.00 0.00 66.70 65.38 3cpw h VAL 37 Cb 0.51 2.14 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 3cpw h VAL 37 CO 0.04 0.66 -0.14 0.00 0.02 0.00 0.00 177.57 178.14 3cpw h ALA 38 N 0.66 -0.40 0.17 1.67 0.00 -0.73 -1.89 119.26 118.75 3cpw h ALA 38 Ca -0.06 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.71 3cpw h ALA 38 Cb 1.45 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 3cpw h ALA 38 CO 0.16 -0.63 -0.19 -0.44 0.00 0.00 0.00 179.25 178.14 3cpw h ASP 39 N -0.58 -0.52 -0.62 0.00 3.32 -1.48 -1.60 116.42 114.93 3cpw h ASP 39 Ca -0.04 0.05 0.13 0.00 0.02 0.00 0.00 57.03 57.19 3cpw h ASP 39 Cb 0.42 0.19 -0.10 0.00 0.22 0.00 0.00 39.33 40.06 3cpw h ASP 39 CO 0.07 -0.28 0.08 0.00 -1.72 0.00 0.00 179.24 177.39 3cpw h ALA 40 N 0.37 0.70 -0.55 3.45 0.00 -1.44 -0.58 119.26 121.20 3cpw h ALA 40 Ca 0.01 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3cpw h ALA 40 Cb 0.39 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3cpw h ALA 40 CO -0.07 -0.35 0.25 0.28 0.00 0.00 0.00 179.25 179.36 3cpw h VAL 41 N 0.20 1.21 -0.72 0.00 2.07 -1.03 -1.91 116.25 116.06 3cpw h VAL 41 Ca 0.33 -0.61 -0.05 0.00 0.82 0.00 0.00 66.70 67.18 3cpw h VAL 41 Cb 0.52 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 3cpw h VAL 41 CO -0.47 0.24 0.24 -0.33 0.02 0.00 0.00 177.57 177.27 3cpw h GLU 42 N 0.75 1.11 0.00 1.57 5.08 -0.29 -2.02 114.58 120.78 3cpw h GLU 42 Ca 0.19 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3cpw h GLU 42 Cb 0.15 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3cpw h GLU 42 CO -0.02 0.94 0.00 0.93 -1.00 0.00 0.00 179.01 179.86 3cpw h GLU 43 N 1.07 0.00 0.00 2.33 5.08 -0.94 0.22 114.58 122.34 3cpw h GLU 43 Ca 0.24 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.28 3cpw h GLU 43 Cb 0.28 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 3cpw h GLU 43 CO -0.01 0.00 -2.17 1.04 -1.00 0.00 0.00 179.01 176.87 3cpw n GLN 44 N -2.40 0.67 0.00 2.33 1.13 -0.74 -4.57 117.38 113.80 3cpw n GLN 44 Ca 0.04 0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.16 3cpw n GLN 44 Cb 0.37 -1.59 0.00 0.00 0.11 0.00 0.00 30.24 29.12 3cpw n GLN 44 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3cpw n TYR 45 N -2.79 0.00 -3.27 1.08 4.02 -0.79 -5.05 117.16 110.36 3cpw n TYR 45 Ca -0.27 -0.04 -0.08 0.00 -0.01 0.00 0.00 57.90 57.51 3cpw n TYR 45 Cb 1.08 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.40 3cpw n TYR 45 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3cpw n ASP 46 N -0.04 -6.93 -3.93 7.72 -0.08 0.06 -5.03 116.55 108.32 3cpw n ASP 46 Ca 0.00 -0.32 -0.12 0.00 -1.51 0.00 0.00 54.79 52.84 3cpw n ASP 46 Cb 0.03 -4.23 -0.07 0.00 2.34 0.00 0.00 41.12 39.19 3cpw n ASP 46 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 3cpw s VAL 47 N -2.98 0.00 -0.23 5.18 -7.23 -1.21 -5.08 120.40 108.86 3cpw s VAL 47 Ca 0.01 -1.71 -0.06 0.00 -1.81 0.00 0.00 61.98 58.41 3cpw s VAL 47 Cb -0.00 -2.41 -0.02 0.00 0.56 0.00 0.00 36.38 34.51 3cpw s VAL 47 CO 0.79 0.00 0.02 -0.89 -0.31 0.00 0.00 175.10 174.72 3cpw s THR 48 N -3.90 3.97 -0.20 5.32 2.01 -1.26 -4.53 115.64 117.05 3cpw s THR 48 Ca 0.31 -0.29 -0.19 0.00 0.31 0.00 0.00 61.69 61.83 3cpw s THR 48 Cb 0.03 -2.83 -0.03 0.00 0.01 0.00 0.00 72.50 69.68 3cpw s THR 48 CO 0.13 0.38 0.56 -0.69 -0.69 0.00 0.00 174.62 174.31 3cpw s VAL 49 N 1.45 5.08 -0.18 3.82 1.01 -1.26 -1.68 120.40 128.64 3cpw s VAL 49 Ca 0.05 1.03 -0.11 0.00 0.00 0.00 0.00 61.98 62.95 3cpw s VAL 49 Cb -0.15 -3.88 -0.22 0.00 0.00 0.00 0.00 36.38 32.14 3cpw s VAL 49 CO 0.01 0.15 0.18 -0.62 0.00 0.00 0.00 175.10 174.83 3cpw n GLU 50 N 4.89 0.67 -3.78 2.72 -0.58 -0.19 -4.92 120.64 119.45 3cpw n GLU 50 Ca -0.04 0.35 -0.13 0.00 -0.42 0.00 0.00 57.16 56.92 3cpw n GLU 50 Cb 0.50 -1.68 -0.09 0.00 -0.57 0.00 0.00 31.44 29.60 3cpw n GLU 50 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 3cpw s GLN 51 N -2.49 0.62 -0.05 3.49 0.74 -1.18 -5.02 119.66 115.76 3cpw s GLN 51 Ca -0.27 -0.19 0.01 0.00 0.05 0.00 0.00 55.36 54.96 3cpw s GLN 51 Cb 0.07 0.27 0.02 0.00 1.10 0.00 0.00 33.01 34.48 3cpw s GLN 51 CO 0.67 -0.16 -0.07 0.08 -0.55 0.00 0.00 175.29 175.26 3cpw s VAL 52 N -1.24 0.73 -0.10 1.34 1.01 -1.26 -1.19 120.40 119.68 3cpw s VAL 52 Ca -0.13 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 61.66 3cpw s VAL 52 Cb -0.05 -0.72 -0.00 0.00 0.00 0.00 0.00 36.38 35.60 3cpw s VAL 52 CO 0.04 0.27 -0.23 0.20 0.00 0.00 0.00 175.10 175.37 3cpw s ASN 53 N 0.90 3.15 0.30 3.32 0.01 -0.67 -4.97 114.94 116.98 3cpw s ASN 53 Ca -0.11 -0.54 0.10 0.00 -0.71 0.00 0.00 52.86 51.60 3cpw s ASN 53 Cb -0.15 -1.35 -0.05 0.00 0.41 0.00 0.00 41.25 40.12 3cpw s ASN 53 CO 0.01 0.17 -0.01 0.42 -1.51 0.00 0.00 177.10 176.18 3cpw s THR 54 N 0.27 3.00 -0.23 1.60 -4.23 -1.26 -0.19 115.64 114.61 3cpw s THR 54 Ca -0.16 -1.98 -0.13 0.00 -1.18 0.00 0.00 61.69 58.24 3cpw s THR 54 Cb -0.17 -2.76 0.07 0.00 1.34 0.00 0.00 72.50 70.98 3cpw s THR 54 CO 0.08 -0.30 0.55 -1.58 -0.54 0.00 0.00 174.62 172.83 3cpw s GLN 55 N -3.68 0.55 -0.52 3.99 0.74 -0.29 -4.99 119.66 115.47 3cpw s GLN 55 Ca 0.33 1.02 -0.23 0.00 0.05 0.00 0.00 55.36 56.52 3cpw s GLN 55 Cb -0.04 0.07 0.04 0.00 1.10 0.00 0.00 33.01 34.18 3cpw s GLN 55 CO 0.19 -0.16 0.87 -0.80 -0.55 0.00 0.00 175.29 174.84 3cpw s ASN 56 N 1.55 6.35 0.78 6.67 0.01 -1.26 -0.34 114.94 128.71 3cpw s ASN 56 Ca -0.10 -0.33 -0.11 0.00 -0.71 0.00 0.00 52.86 51.61 3cpw s ASN 56 Cb -0.07 -2.41 0.06 0.00 0.41 0.00 0.00 41.25 39.25 3cpw s ASN 56 CO -0.16 -1.10 1.09 -0.89 -1.51 0.00 0.00 177.10 174.52 3cpw s THR 57 N 3.62 3.32 -1.80 1.60 2.01 0.27 -4.95 115.64 119.71 3cpw s THR 57 Ca 0.29 0.43 0.02 0.00 0.31 0.00 0.00 61.69 62.74 3cpw s THR 57 Cb -0.13 -2.96 0.08 0.00 0.01 0.00 0.00 72.50 69.50 3cpw s THR 57 CO 0.20 -0.56 0.99 0.23 -0.69 0.00 0.00 174.62 174.78 3cpw n MET 58 N -3.52 1.25 -0.11 4.92 2.81 -1.26 -2.42 117.12 118.79 3cpw n MET 58 Ca 0.08 -0.32 0.08 0.00 -1.81 0.00 0.00 57.70 55.73 3cpw n MET 58 Cb 0.53 -1.16 0.14 0.00 -0.71 0.00 0.00 33.22 32.02 3cpw n MET 58 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3cpw n ASP 59 N -0.19 2.82 0.00 7.83 10.43 -1.26 -4.95 116.55 131.23 3cpw n ASP 59 Ca 0.03 -1.82 0.00 0.00 2.57 0.00 0.00 54.79 55.56 3cpw n ASP 59 Cb 0.13 -0.15 0.00 0.00 1.84 0.00 0.00 41.12 42.94 3cpw n ASP 59 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3cpw n GLY 60 N 0.98 0.89 3.76 0.44 0.00 -1.01 -5.02 105.19 105.22 3cpw n GLY 60 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 3cpw n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cpw s GLU 61 N -0.09 2.22 -0.09 1.61 2.02 -1.26 -4.92 118.70 118.19 3cpw s GLU 61 Ca 0.00 -1.93 -0.02 0.00 0.02 0.00 0.00 54.97 53.04 3cpw s GLU 61 Cb 0.00 -1.95 -0.03 0.00 0.10 0.00 0.00 34.13 32.25 3cpw s GLU 61 CO 0.00 -0.21 -0.01 0.21 0.02 0.00 0.00 175.26 175.27 3cpw s LYS 62 N -3.95 3.06 -0.05 1.61 2.20 -1.15 -0.56 119.74 120.89 3cpw s LYS 62 Ca 0.36 -0.43 0.03 0.00 -0.36 0.00 0.00 55.97 55.58 3cpw s LYS 62 Cb 0.03 -2.80 -0.03 0.00 -1.51 0.00 0.00 37.83 33.52 3cpw s LYS 62 CO 0.20 0.64 -0.13 0.21 -0.36 0.00 0.00 175.35 175.92 3cpw s LYS 63 N -0.72 2.56 -0.07 4.03 2.20 0.54 -0.03 119.74 128.25 3cpw s LYS 63 Ca 0.11 -0.66 0.03 0.00 -0.36 0.00 0.00 55.97 55.09 3cpw s LYS 63 Cb -0.12 -2.42 0.00 0.00 -1.51 0.00 0.00 37.83 33.79 3cpw s LYS 63 CO 0.02 0.63 -0.17 0.00 -0.36 0.00 0.00 175.35 175.47 3cpw s ALA 64 N -0.74 1.57 -0.44 3.13 0.00 0.48 -1.13 121.76 124.63 3cpw s ALA 64 Ca 0.11 -0.64 -0.10 0.00 0.00 0.00 0.00 51.96 51.34 3cpw s ALA 64 Cb -0.11 -0.61 0.09 0.00 0.00 0.00 0.00 23.12 22.49 3cpw s ALA 64 CO 0.01 0.21 0.29 0.08 0.00 0.00 0.00 175.76 176.35 3cpw s VAL 65 N 0.38 4.28 -0.32 0.00 1.01 0.73 -0.71 120.40 125.78 3cpw s VAL 65 Ca -0.12 -1.49 -0.11 0.00 0.00 0.00 0.00 61.98 60.26 3cpw s VAL 65 Cb -0.15 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 3cpw s VAL 65 CO 0.05 -0.58 0.18 -0.69 0.00 0.00 0.00 175.10 174.05 3cpw s VAL 66 N 1.42 4.85 -0.11 2.92 1.01 0.18 -1.67 120.40 129.00 3cpw s VAL 66 Ca 0.04 -0.32 -0.19 0.00 0.00 0.00 0.00 61.98 61.51 3cpw s VAL 66 Cb -0.24 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 3cpw s VAL 66 CO 0.02 0.06 0.51 -0.60 0.00 0.00 0.00 175.10 175.09 3cpw s ARG 67 N 1.66 4.36 0.46 2.72 3.52 -0.34 0.87 118.95 132.19 3cpw s ARG 67 Ca 0.05 0.52 0.01 0.00 -0.13 0.00 0.00 55.73 56.18 3cpw s ARG 67 Cb -0.17 -3.44 -0.00 0.00 -1.56 0.00 0.00 34.95 29.78 3cpw s ARG 67 CO 0.08 0.15 0.67 -0.51 -0.81 0.00 0.00 175.30 174.88 3cpw s LEU 68 N 0.64 3.62 0.63 -0.88 1.43 -0.47 -1.03 118.68 122.63 3cpw s LEU 68 Ca 0.28 0.24 -0.13 0.00 -1.03 0.00 0.00 54.13 53.49 3cpw s LEU 68 Cb -0.16 -3.12 -0.03 0.00 0.03 0.00 0.00 46.19 42.92 3cpw s LEU 68 CO 0.12 -0.73 1.04 -0.94 0.23 0.00 0.00 176.35 176.06 3cpw s SER 69 N -4.23 5.85 0.65 2.29 1.04 -0.67 -4.68 113.70 113.94 3cpw s SER 69 Ca 0.49 1.61 0.33 0.00 0.48 0.00 0.00 55.95 58.86 3cpw s SER 69 Cb -0.10 -2.50 1.80 0.00 0.10 0.00 0.00 66.02 65.32 3cpw s SER 69 CO 0.38 -1.13 2.05 -0.33 0.98 0.00 0.00 173.24 175.19 3cpw h GLU 70 N -0.13 0.00 -0.32 4.02 5.08 -1.97 0.31 114.58 121.57 3cpw h GLU 70 Ca -0.45 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.83 3cpw h GLU 70 Cb 1.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 3cpw h GLU 70 CO 0.59 0.00 -0.14 0.22 -1.00 0.00 0.00 179.01 178.67 3cpw h ASP 71 N 0.00 0.55 -1.72 1.42 1.82 -1.96 -3.44 116.42 113.09 3cpw h ASP 71 Ca 0.03 -0.16 -0.43 0.00 -0.39 0.00 0.00 57.03 56.08 3cpw h ASP 71 Cb 0.53 -0.15 0.01 0.00 0.68 0.00 0.00 39.33 40.41 3cpw h ASP 71 CO -0.00 0.72 -0.31 -1.81 -1.61 0.00 0.00 179.24 176.23 3cpw s ASP 72 N -6.76 5.88 -0.26 2.28 1.01 0.10 -5.11 116.67 113.81 3cpw s ASP 72 Ca -0.08 -0.24 -0.00 0.00 0.71 0.00 0.00 52.55 52.94 3cpw s ASP 72 Cb 0.14 -1.08 0.07 0.00 1.01 0.00 0.00 42.92 43.07 3cpw s ASP 72 CO 0.79 -0.53 0.02 -0.62 0.21 0.00 0.00 175.17 175.04 3cpw s ASP 73 N -4.22 3.81 0.20 0.27 -1.08 -1.26 -4.76 116.67 109.63 3cpw s ASP 73 Ca 0.48 -1.33 -0.14 0.00 -0.52 0.00 0.00 52.55 51.03 3cpw s ASP 73 Cb -0.10 -1.03 0.21 0.00 -1.46 0.00 0.00 42.92 40.54 3cpw s ASP 73 CO 0.32 -0.31 1.64 0.00 0.52 0.00 0.00 175.17 177.33 3cpw h ALA 74 N 8.01 0.39 -0.99 3.66 0.00 -1.85 -0.64 119.26 127.84 3cpw h ALA 74 Ca -0.15 0.23 0.21 0.00 0.00 0.00 0.00 54.91 55.20 3cpw h ALA 74 Cb 1.06 0.44 -0.10 0.00 0.00 0.00 0.00 17.79 19.19 3cpw h ALA 74 CO 0.42 -0.43 0.62 1.96 0.00 0.00 0.00 179.25 181.82 3cpw h GLN 75 N 0.00 0.62 0.00 0.00 4.20 -1.94 -1.04 115.11 116.96 3cpw h GLN 75 Ca 0.28 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.95 3cpw h GLN 75 Cb 0.43 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.07 3cpw h GLN 75 CO -0.60 0.41 -0.03 0.93 -0.67 0.00 0.00 178.83 178.87 3cpw h GLU 76 N 0.64 0.02 -0.82 1.46 5.08 -1.57 -2.34 114.58 117.05 3cpw h GLU 76 Ca 0.57 -0.02 0.18 0.00 -1.00 0.00 0.00 59.36 59.09 3cpw h GLU 76 Cb 1.05 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.25 3cpw h GLU 76 CO -0.34 0.89 0.55 0.28 -1.00 0.00 0.00 179.01 179.39 3cpw h VAL 77 N -0.84 0.72 0.10 3.13 2.07 -0.90 -0.44 116.25 120.09 3cpw h VAL 77 Ca -0.00 -0.13 -0.26 0.00 0.82 0.00 0.00 66.70 67.13 3cpw h VAL 77 Cb 0.90 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3cpw h VAL 77 CO 0.01 0.07 -1.18 0.00 0.02 0.00 0.00 177.57 176.48 3cpw h ALA 78 N 1.63 0.16 0.00 1.67 0.00 -1.26 -3.31 119.26 118.14 3cpw h ALA 78 Ca 0.42 -0.89 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 3cpw h ALA 78 Cb 1.05 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3cpw h ALA 78 CO -0.14 1.04 -0.01 0.66 0.00 0.00 0.00 179.25 180.80 3cpw h SER 79 N 0.06 0.00 0.09 0.00 4.64 -0.49 -2.46 113.55 115.39 3cpw h SER 79 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3cpw h SER 79 Cb 1.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.01 3cpw h SER 79 CO 0.19 0.01 -0.04 -2.11 -0.87 0.00 0.00 176.83 174.01 3cpw n ARG 80 N -3.24 1.19 0.00 4.77 1.85 -1.16 -5.10 116.66 114.98 3cpw n ARG 80 Ca -0.02 -0.48 0.00 0.00 -1.00 0.00 0.00 57.85 56.35 3cpw n ARG 80 Cb 0.13 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 30.05 3cpw n ARG 80 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06