#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dvv n ASP 2 N 0.00 -3.28 0.03 1.62 9.92 -1.26 -4.77 116.55 118.82 1dvv n ASP 2 Ca 0.00 0.29 -0.12 0.00 -0.53 0.00 0.00 54.79 54.43 1dvv n ASP 2 Cb 0.00 -1.07 -0.07 0.00 -0.64 0.00 0.00 41.12 39.34 1dvv n ASP 2 CO 0.00 0.00 0.00 -0.65 0.13 0.00 0.00 177.20 176.68 1dvv h PRO 3 N -1.39 0.01 -0.59 -0.24 0.10 -2.00 -2.64 132.00 125.24 1dvv h PRO 3 Ca -0.44 -0.00 0.11 0.00 0.10 0.00 0.00 66.00 65.77 1dvv h PRO 3 Cb 1.29 -0.00 -0.08 0.00 0.10 0.00 0.00 31.00 32.30 1dvv h PRO 3 CO 0.31 0.06 0.12 1.49 0.10 0.00 0.00 178.00 180.08 1dvv h GLU 4 N -0.04 0.25 -0.99 1.05 4.81 -1.91 0.27 114.58 118.02 1dvv h GLU 4 Ca 0.00 -0.01 0.25 0.00 -0.13 0.00 0.00 59.36 59.47 1dvv h GLU 4 Cb 0.05 -0.06 -0.13 0.00 0.63 0.00 0.00 28.75 29.25 1dvv h GLU 4 CO -0.00 0.16 0.56 0.28 -0.73 0.00 0.00 179.01 179.29 1dvv h VAL 5 N 0.25 0.51 -0.70 0.32 2.07 -1.80 0.60 116.25 117.50 1dvv h VAL 5 Ca 0.31 -0.18 -0.08 0.00 0.82 0.00 0.00 66.70 67.57 1dvv h VAL 5 Cb 0.45 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 1dvv h VAL 5 CO -0.39 0.10 0.13 -0.07 0.02 0.00 0.00 177.57 177.36 1dvv h LEU 6 N 0.53 1.09 -2.16 2.57 3.38 -0.32 -1.47 115.31 118.93 1dvv h LEU 6 Ca 0.64 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 58.40 1dvv h LEU 6 Cb 1.24 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1dvv h LEU 6 CO -0.49 1.06 0.12 0.00 0.09 0.00 0.00 178.44 179.21 1dvv h ALA 7 N 1.07 1.94 0.08 1.53 0.00 0.81 -1.23 119.26 123.46 1dvv h ALA 7 Ca 0.21 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.78 1dvv h ALA 7 Cb 0.42 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1dvv h ALA 7 CO 0.01 -0.19 -1.89 1.17 0.00 0.00 0.00 179.25 178.34 1dvv n LYS 8 N -4.17 0.72 0.20 0.00 4.81 -0.88 0.15 118.16 118.99 1dvv n LYS 8 Ca 0.00 0.28 0.07 0.00 -0.87 0.00 0.00 58.31 57.79 1dvv n LYS 8 Cb 0.24 -1.74 0.41 0.00 0.02 0.00 0.00 35.03 33.96 1dvv n LYS 8 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1dvv h ASN 9 N 0.05 0.00 0.14 3.14 -0.26 -0.78 -3.16 115.58 114.71 1dvv h ASN 9 Ca -0.37 0.00 -0.22 0.00 -0.56 0.00 0.00 56.30 55.14 1dvv h ASN 9 Cb 2.03 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 39.25 1dvv h ASN 9 CO 0.09 0.31 -2.08 0.29 -1.06 0.00 0.00 177.43 174.98 1dvv n LYS 10 N -3.58 0.67 0.00 0.81 4.76 -0.51 -4.98 118.16 115.33 1dvv n LYS 10 Ca -0.01 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 1dvv n LYS 10 Cb 0.45 -1.58 0.00 0.00 -1.84 0.00 0.00 35.03 32.06 1dvv n LYS 10 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1dvv n GLY 11 N 1.54 1.16 0.24 0.72 0.00 -1.04 -4.98 105.19 102.82 1dvv n GLY 11 Ca -0.20 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.84 1dvv n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dvv n MET 13 N -4.24 0.96 -0.04 0.00 2.81 -0.83 -2.72 117.12 113.06 1dvv n MET 13 Ca -0.01 0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 55.71 1dvv n MET 13 Cb 0.30 -1.36 -0.13 0.00 -0.71 0.00 0.00 33.22 31.32 1dvv n MET 13 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1dvv h ALA 14 N 3.63 0.03 0.00 3.04 0.00 -1.55 -3.38 119.26 121.04 1dvv h ALA 14 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1dvv h ALA 14 Cb 0.00 0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1dvv h ALA 14 CO 0.00 0.27 -1.32 0.00 0.00 0.00 0.00 179.25 178.20 1dvv s HIS 16 N -3.26 2.40 -0.20 0.00 4.02 -1.10 -1.47 115.29 115.68 1dvv s HIS 16 Ca 0.01 -0.55 -0.08 0.00 1.02 0.00 0.00 55.06 55.45 1dvv s HIS 16 Cb 0.14 -2.20 0.08 0.00 -1.02 0.00 0.00 32.58 29.58 1dvv s HIS 16 CO 0.85 -0.40 0.44 0.00 1.02 0.00 0.00 174.74 176.65 1dvv s ALA 17 N -2.51 -1.20 0.52 -1.40 0.00 -1.26 -4.76 121.76 111.15 1dvv s ALA 17 Ca 0.50 1.61 0.35 0.00 0.00 0.00 0.00 51.96 54.42 1dvv s ALA 17 Cb -0.05 -1.20 1.21 0.00 0.00 0.00 0.00 23.12 23.07 1dvv s ALA 17 CO 0.30 -0.56 1.28 -0.89 0.00 0.00 0.00 175.76 175.90 1dvv n ILE 18 N 4.90 0.00 0.00 0.00 -0.00 -1.26 -1.21 119.36 121.79 1dvv n ILE 18 Ca -0.15 1.23 0.00 0.00 -0.00 0.00 0.00 62.75 63.83 1dvv n ILE 18 Cb 0.52 -2.12 0.00 0.00 -0.00 0.00 0.00 39.64 38.04 1dvv n ILE 18 CO 0.00 0.00 0.00 -0.90 -0.00 0.00 0.00 176.55 175.65 1dvv n ASP 19 N -3.39 0.00 -4.77 4.38 5.75 -1.26 -2.25 116.55 115.00 1dvv n ASP 19 Ca 0.31 0.00 -0.34 0.00 -0.01 0.00 0.00 54.79 54.75 1dvv n ASP 19 Cb 1.61 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 41.71 1dvv n ASP 19 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1dvv s THR 20 N -1.00 3.18 -0.30 2.12 -4.23 -1.24 -4.61 115.64 109.56 1dvv s THR 20 Ca 0.00 0.67 -0.18 0.00 -1.18 0.00 0.00 61.69 61.00 1dvv s THR 20 Cb 0.00 -3.22 -0.02 0.00 1.34 0.00 0.00 72.50 70.60 1dvv s THR 20 CO 0.00 -0.22 0.50 -0.75 -0.54 0.00 0.00 174.62 173.60 1dvv s LYS 21 N -3.56 3.87 0.00 3.99 2.20 -1.26 -4.11 119.74 120.86 1dvv s LYS 21 Ca 0.71 0.07 0.00 0.00 -0.36 0.00 0.00 55.97 56.39 1dvv s LYS 21 Cb -0.23 -3.72 0.00 0.00 -1.51 0.00 0.00 37.83 32.37 1dvv s LYS 21 CO 0.32 -0.47 0.00 -1.33 -0.36 0.00 0.00 175.35 173.51 1dvv n MET 22 N 5.61 0.00 0.08 4.03 2.81 -1.26 -4.98 117.12 123.40 1dvv n MET 22 Ca -0.05 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.72 1dvv n MET 22 Cb 0.49 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.96 1dvv n MET 22 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1dvv h VAL 23 N 0.00 1.45 -1.66 2.03 2.07 -1.64 -3.46 116.25 115.04 1dvv h VAL 23 Ca 0.00 -2.59 -0.61 0.00 0.82 0.00 0.00 66.70 64.32 1dvv h VAL 23 Cb 0.00 2.50 -0.13 0.00 -1.52 0.00 0.00 31.29 32.14 1dvv h VAL 23 CO 0.00 0.76 -0.58 -0.83 0.02 0.00 0.00 177.57 176.94 1dvv s GLY 24 N -4.48 2.53 0.29 2.17 0.00 -0.54 -5.02 107.32 102.27 1dvv s GLY 24 Ca -0.04 -1.90 -0.29 0.00 0.00 0.00 0.00 44.72 42.48 1dvv s GLY 24 CO 0.85 -2.06 1.37 2.56 0.00 0.00 0.00 173.10 175.82 1dvv s PRO 25 N -3.77 4.31 0.81 2.90 0.05 -1.26 -4.70 135.00 133.34 1dvv s PRO 25 Ca 0.30 2.25 -0.17 0.00 0.05 0.00 0.00 61.00 63.43 1dvv s PRO 25 Cb 0.08 -3.09 -0.12 0.00 0.05 0.00 0.00 34.50 31.42 1dvv s PRO 25 CO 0.15 -0.30 -0.35 0.00 0.05 0.00 0.00 177.00 176.55 1dvv n ALA 26 N 1.54 -4.06 0.26 8.56 0.00 -1.26 -4.63 120.51 120.92 1dvv n ALA 26 Ca 0.03 -0.43 -0.11 0.00 0.00 0.00 0.00 53.44 52.93 1dvv n ALA 26 Cb 0.41 -1.36 -0.05 0.00 0.00 0.00 0.00 19.45 18.45 1dvv n ALA 26 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1dvv h TYR 27 N -0.66 -0.66 -0.86 0.00 0.05 -1.22 -0.94 116.97 112.69 1dvv h TYR 27 Ca -0.43 -0.02 0.13 0.00 0.05 0.00 0.00 58.73 58.47 1dvv h TYR 27 Cb 1.35 0.22 -0.09 0.00 1.01 0.00 0.00 36.73 39.22 1dvv h TYR 27 CO 0.25 -0.41 0.46 -0.22 -1.05 0.00 0.00 178.16 177.19 1dvv h LYS 28 N -1.14 0.67 -0.93 4.88 3.64 -1.55 0.10 116.57 122.25 1dvv h LYS 28 Ca -0.07 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1dvv h LYS 28 Cb 0.54 -0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 32.16 1dvv h LYS 28 CO 0.12 0.44 0.60 -0.44 -2.27 0.00 0.00 179.45 177.90 1dvv h ASP 29 N 0.69 1.00 -0.89 4.20 3.32 -1.76 -0.87 116.42 122.11 1dvv h ASP 29 Ca 0.45 -0.01 0.09 0.00 0.02 0.00 0.00 57.03 57.59 1dvv h ASP 29 Cb 0.58 -0.22 -0.06 0.00 0.22 0.00 0.00 39.33 39.85 1dvv h ASP 29 CO -0.33 0.68 0.58 0.58 -1.72 0.00 0.00 179.24 179.02 1dvv h VAL 30 N 1.16 0.99 0.00 -1.35 2.07 0.65 0.16 116.25 119.92 1dvv h VAL 30 Ca 0.38 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.52 1dvv h VAL 30 Cb 0.03 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.79 1dvv h VAL 30 CO -0.13 0.17 -0.29 0.00 0.02 0.00 0.00 177.57 177.33 1dvv h ALA 31 N 1.55 0.93 0.00 1.67 0.00 -0.85 -2.06 119.26 120.51 1dvv h ALA 31 Ca 0.41 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 1dvv h ALA 31 Cb 0.37 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1dvv h ALA 31 CO -0.17 0.37 -0.65 0.00 0.00 0.00 0.00 179.25 178.79 1dvv h ALA 32 N 1.71 0.90 0.08 0.00 0.00 0.19 0.49 119.26 122.63 1dvv h ALA 32 Ca -0.00 -0.60 -0.32 0.00 0.00 0.00 0.00 54.91 53.99 1dvv h ALA 32 Cb 0.93 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1dvv h ALA 32 CO 0.04 0.82 -1.78 -0.22 0.00 0.00 0.00 179.25 178.11 1dvv h LYS 33 N 0.00 0.17 -0.02 0.00 3.64 -1.27 -3.33 116.57 115.75 1dvv h LYS 33 Ca -0.01 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1dvv h LYS 33 Cb 1.17 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1dvv h LYS 33 CO 0.09 0.94 -0.12 0.66 -2.27 0.00 0.00 179.45 178.74 1dvv n TYR 34 N -3.32 0.00 -1.65 1.91 4.02 -0.78 -4.93 117.16 112.40 1dvv n TYR 34 Ca -0.23 0.00 -0.47 0.00 -0.01 0.00 0.00 57.90 57.19 1dvv n TYR 34 Cb 1.05 -0.03 -0.04 0.00 -0.02 0.00 0.00 39.34 40.30 1dvv n TYR 34 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1dvv n ALA 35 N 0.28 0.94 0.00 -0.72 0.00 0.17 -2.07 120.51 119.11 1dvv n ALA 35 Ca 0.15 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.05 1dvv n ALA 35 Cb 0.43 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.59 1dvv n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dvv n GLY 36 N 3.20 2.40 3.76 0.00 0.00 -1.26 -5.02 105.19 108.26 1dvv n GLY 36 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1dvv n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1dvv s GLN 37 N -0.24 3.62 -0.51 1.61 -1.52 -0.88 -4.89 119.66 116.85 1dvv s GLN 37 Ca 0.00 1.96 -0.06 0.00 -1.95 0.00 0.00 55.36 55.32 1dvv s GLN 37 Cb 0.00 -2.42 -0.08 0.00 -0.22 0.00 0.00 33.01 30.29 1dvv s GLN 37 CO 0.00 -0.72 3.09 0.00 -0.25 0.00 0.00 175.29 177.41 1dvv n ALA 38 N -0.54 6.60 0.00 6.09 0.00 -1.26 -4.25 120.51 127.15 1dvv n ALA 38 Ca 0.08 -2.74 0.00 0.00 0.00 0.00 0.00 53.44 50.77 1dvv n ALA 38 Cb 0.46 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.48 1dvv n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dvv n GLY 39 N 1.93 0.50 0.08 0.00 0.00 -1.26 -5.02 105.19 101.43 1dvv n GLY 39 Ca 0.52 -0.49 0.12 0.00 0.00 0.00 0.00 46.02 46.17 1dvv n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dvv n ALA 40 N 0.00 2.00 0.11 4.61 0.00 -1.26 -2.92 120.51 123.05 1dvv n ALA 40 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 53.44 53.40 1dvv n ALA 40 Cb 0.00 -1.41 0.06 0.00 0.00 0.00 0.00 19.45 18.10 1dvv n ALA 40 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1dvv h GLU 41 N 0.00 0.00 0.14 0.00 -0.00 -1.94 -0.59 114.58 112.19 1dvv h GLU 41 Ca 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.35 1dvv h GLU 41 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.26 1dvv h GLU 41 CO 0.00 0.76 -0.07 0.00 -0.00 0.00 0.00 179.01 179.70 1dvv h ALA 42 N 1.24 -0.19 -0.31 1.06 0.00 -1.87 -1.64 119.26 117.55 1dvv h ALA 42 Ca -0.01 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 1dvv h ALA 42 Cb 1.34 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 1dvv h ALA 42 CO 0.10 -0.34 -0.12 -0.92 0.00 0.00 0.00 179.25 177.97 1dvv h TYR 43 N -0.72 0.55 -0.69 0.00 3.20 -1.64 -1.31 116.97 116.35 1dvv h TYR 43 Ca -0.02 -0.08 0.03 0.00 3.14 0.00 0.00 58.73 61.79 1dvv h TYR 43 Cb 0.52 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.60 1dvv h TYR 43 CO 0.08 0.62 0.46 -0.07 -1.64 0.00 0.00 178.16 177.61 1dvv h LEU 44 N 0.48 0.74 -0.81 2.82 3.38 -1.06 -0.20 115.31 120.67 1dvv h LEU 44 Ca 0.09 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 1dvv h LEU 44 Cb 0.49 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1dvv h LEU 44 CO 0.03 0.52 -0.04 0.00 0.09 0.00 0.00 178.44 179.03 1dvv h ALA 45 N 1.59 1.00 0.00 1.53 0.00 -0.24 0.21 119.26 123.34 1dvv h ALA 45 Ca 0.27 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1dvv h ALA 45 Cb 0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1dvv h ALA 45 CO -0.07 0.61 -0.51 1.96 0.00 0.00 0.00 179.25 181.24 1dvv h GLN 46 N 0.78 0.00 0.00 0.00 7.50 -0.68 -1.65 115.11 121.06 1dvv h GLN 46 Ca 0.14 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.29 1dvv h GLN 46 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.06 1dvv h GLN 46 CO 0.03 0.51 -0.52 0.54 -1.50 0.00 0.00 178.83 177.88 1dvv n ARG 47 N -3.87 0.14 0.04 1.46 5.12 -0.35 -3.43 116.66 115.77 1dvv n ARG 47 Ca -0.01 0.04 0.01 0.00 -1.93 0.00 0.00 57.85 55.96 1dvv n ARG 47 Cb 0.53 -1.59 -0.07 0.00 -1.16 0.00 0.00 32.46 30.16 1dvv n ARG 47 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1dvv n ILE 48 N -1.80 1.12 0.63 0.55 5.41 0.69 0.21 119.36 126.18 1dvv n ILE 48 Ca 0.05 -0.68 0.12 0.00 1.00 0.00 0.00 62.75 63.24 1dvv n ILE 48 Cb 0.39 -0.69 0.27 0.00 -0.71 0.00 0.00 39.64 38.89 1dvv n ILE 48 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1dvv n LYS 49 N -2.86 0.25 0.00 0.38 4.81 -0.66 -3.35 118.16 116.74 1dvv n LYS 49 Ca -0.09 0.12 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 1dvv n LYS 49 Cb 0.81 -1.70 0.00 0.00 0.02 0.00 0.00 35.03 34.16 1dvv n LYS 49 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1dvv n ASN 50 N -2.09 0.56 -0.96 3.14 5.15 -1.22 -3.77 115.26 116.06 1dvv n ASN 50 Ca 0.04 -0.27 0.11 0.00 -0.60 0.00 0.00 54.58 53.87 1dvv n ASN 50 Cb 0.43 0.65 -0.04 0.00 -0.53 0.00 0.00 39.78 40.29 1dvv n ASN 50 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1dvv n GLY 51 N 0.82 -1.34 0.00 8.20 0.00 0.13 -3.65 105.19 109.35 1dvv n GLY 51 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1dvv n GLY 51 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1dvv n SER 52 N -4.29 0.00 -0.23 1.61 7.64 -0.11 -4.76 113.62 113.48 1dvv n SER 52 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1dvv n SER 52 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1dvv n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1dvv n GLN 53 N -0.81 2.87 -1.46 1.43 0.00 -1.26 -1.35 117.38 116.80 1dvv n GLN 53 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 57.00 56.84 1dvv n GLN 53 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 30.24 30.17 1dvv n GLN 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1dvv n GLY 54 N 5.00 1.54 0.28 2.61 0.00 -1.23 -4.77 105.19 108.63 1dvv n GLY 54 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1dvv n GLY 54 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1dvv n VAL 55 N -2.11 1.02 -0.00 1.61 0.31 -1.26 -4.91 118.33 112.99 1dvv n VAL 55 Ca -0.16 0.26 -0.00 0.00 -0.01 0.00 0.00 64.34 64.42 1dvv n VAL 55 Cb 0.56 -1.95 -0.00 0.00 -0.91 0.00 0.00 33.84 31.54 1dvv n VAL 55 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 1dvv n TRP 56 N -3.73 0.00 -3.48 3.52 7.02 -1.26 -5.11 117.44 114.40 1dvv n TRP 56 Ca -0.08 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.35 1dvv n TRP 56 Cb 0.28 -0.00 0.02 0.00 -2.42 0.00 0.00 31.31 29.19 1dvv n TRP 56 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1dvv n GLY 57 N 3.28 1.38 0.00 6.99 0.00 -1.26 -5.00 105.19 110.58 1dvv n GLY 57 Ca -0.00 -1.16 0.02 0.00 0.00 0.00 0.00 46.02 44.89 1dvv n GLY 57 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1dvv n PRO 58 N -0.32 0.45 -3.51 1.61 -0.05 -1.26 -3.51 135.00 128.40 1dvv n PRO 58 Ca -0.05 0.00 -0.41 0.00 -0.05 0.00 0.00 63.50 62.99 1dvv n PRO 58 Cb 0.36 -1.16 -0.05 0.00 -0.05 0.00 0.00 33.50 32.60 1dvv n PRO 58 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 175.50 175.87 1dvv s ILE 59 N -2.00 4.88 0.22 0.52 1.01 -1.26 -4.93 121.20 119.63 1dvv s ILE 59 Ca 0.07 -3.19 -0.32 0.00 0.00 0.00 0.00 60.65 57.21 1dvv s ILE 59 Cb 0.03 -4.03 -0.14 0.00 0.01 0.00 0.00 42.46 38.34 1dvv s ILE 59 CO 0.05 -1.04 1.41 -0.81 0.00 0.00 0.00 174.94 174.55 1dvv n PRO 60 N 3.12 1.95 -2.25 2.79 -0.04 -1.26 -4.80 135.00 134.51 1dvv n PRO 60 Ca 0.17 0.69 -0.42 0.00 -0.04 0.00 0.00 63.50 63.90 1dvv n PRO 60 Cb 0.40 -2.35 -0.03 0.00 -0.04 0.00 0.00 33.50 31.48 1dvv n PRO 60 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 1dvv s MET 61 N -0.18 4.38 0.17 0.54 1.75 -0.45 -4.65 119.30 120.86 1dvv s MET 61 Ca 0.71 1.99 -0.31 0.00 -1.25 0.00 0.00 55.69 56.83 1dvv s MET 61 Cb -0.68 -3.25 -0.10 0.00 2.84 0.00 0.00 34.83 33.64 1dvv s MET 61 CO 0.48 -0.31 1.56 -2.14 -0.65 0.00 0.00 175.02 173.96 1dvv s PRO 62 N 0.57 4.22 0.34 4.11 0.02 -1.26 -0.94 135.00 142.06 1dvv s PRO 62 Ca 0.60 2.36 -0.29 0.00 0.02 0.00 0.00 61.00 63.69 1dvv s PRO 62 Cb -0.35 -3.15 -0.11 0.00 0.02 0.00 0.00 34.50 30.90 1dvv s PRO 62 CO 0.33 -0.60 1.51 -0.35 -0.33 0.00 0.00 177.00 177.57 1dvv n PRO 63 N 3.89 2.64 -4.21 5.54 -0.04 -1.24 -4.54 135.00 137.05 1dvv n PRO 63 Ca 0.13 0.93 -0.23 0.00 -0.04 0.00 0.00 63.50 64.30 1dvv n PRO 63 Cb 0.39 -2.67 -0.06 0.00 -0.04 0.00 0.00 33.50 31.12 1dvv n PRO 63 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1dvv s ASN 64 N 0.08 4.89 -0.27 3.54 0.01 -1.21 -4.90 114.94 117.08 1dvv s ASN 64 Ca 0.57 -0.53 0.00 0.00 -0.71 0.00 0.00 52.86 52.20 1dvv s ASN 64 Cb -0.49 -1.02 0.25 0.00 0.41 0.00 0.00 41.25 40.40 1dvv s ASN 64 CO 0.58 -0.05 1.76 0.00 -1.51 0.00 0.00 177.10 177.89 1dvv n ALA 65 N -1.02 4.60 -2.65 0.60 0.00 -1.26 -4.61 120.51 116.16 1dvv n ALA 65 Ca -0.06 -1.50 -0.43 0.00 0.00 0.00 0.00 53.44 51.45 1dvv n ALA 65 Cb 0.59 -1.30 -0.02 0.00 0.00 0.00 0.00 19.45 18.72 1dvv n ALA 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1dvv s VAL 66 N -1.93 4.63 1.00 0.00 -7.23 -1.26 -5.01 120.40 110.60 1dvv s VAL 66 Ca 0.29 1.96 -0.19 0.00 -1.81 0.00 0.00 61.98 62.22 1dvv s VAL 66 Cb 0.23 -4.32 0.01 0.00 0.56 0.00 0.00 36.38 32.86 1dvv s VAL 66 CO 0.02 -0.24 -0.46 -1.20 -0.31 0.00 0.00 175.10 172.92 1dvv n SER 67 N 6.44 -2.68 -0.12 4.85 7.64 -1.26 -4.38 113.62 124.11 1dvv n SER 67 Ca 0.12 -0.13 -0.11 0.00 1.01 0.00 0.00 58.87 59.76 1dvv n SER 67 Cb 0.46 -0.72 0.01 0.00 -1.01 0.00 0.00 64.21 62.96 1dvv n SER 67 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1dvv h ASP 68 N -1.85 0.94 0.06 6.43 1.82 -1.95 -1.28 116.42 120.59 1dvv h ASP 68 Ca -0.37 -0.39 -0.13 0.00 -0.39 0.00 0.00 57.03 55.75 1dvv h ASP 68 Cb 1.11 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 40.85 1dvv h ASP 68 CO 0.24 1.17 -0.42 0.44 -1.61 0.00 0.00 179.24 179.06 1dvv h ASP 69 N 0.76 0.49 -0.14 2.28 5.19 -1.99 -1.62 116.42 121.38 1dvv h ASP 69 Ca 0.08 -0.22 -0.18 0.00 -0.62 0.00 0.00 57.03 56.09 1dvv h ASP 69 Cb 0.88 -0.14 -0.00 0.00 0.18 0.00 0.00 39.33 40.25 1dvv h ASP 69 CO 0.08 0.85 -0.59 -0.33 -3.12 0.00 0.00 179.24 176.13 1dvv h GLU 70 N 0.38 0.74 0.00 3.56 4.39 -1.83 -2.56 114.58 119.26 1dvv h GLU 70 Ca 0.03 -0.50 -0.04 0.00 0.34 0.00 0.00 59.36 59.20 1dvv h GLU 70 Cb 0.90 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.61 1dvv h GLU 70 CO 0.08 1.12 -0.18 0.00 -1.16 0.00 0.00 179.01 178.87 1dvv h ALA 71 N 0.77 0.99 -0.22 3.43 0.00 -1.13 -0.98 119.26 122.12 1dvv h ALA 71 Ca 0.00 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 1dvv h ALA 71 Cb 1.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1dvv h ALA 71 CO 0.12 0.22 -0.50 1.96 0.00 0.00 0.00 179.25 181.06 1dvv h GLN 72 N 0.00 0.73 0.00 0.00 4.20 -1.05 -1.10 115.11 117.88 1dvv h GLN 72 Ca -0.00 -0.49 -0.08 0.00 0.06 0.00 0.00 58.65 58.14 1dvv h GLN 72 Cb 0.76 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 1dvv h GLN 72 CO 0.02 1.11 -0.37 1.15 -0.67 0.00 0.00 178.83 180.08 1dvv h THR 73 N 0.45 0.85 -0.02 -0.54 2.02 -1.23 -2.50 112.91 111.93 1dvv h THR 73 Ca 0.00 -1.51 -0.13 0.00 0.77 0.00 0.00 66.41 65.53 1dvv h THR 73 Cb 1.11 1.94 -0.02 0.00 -1.74 0.00 0.00 68.15 69.44 1dvv h THR 73 CO 0.11 0.36 -0.60 -0.07 0.37 0.00 0.00 175.52 175.68 1dvv h LEU 74 N 0.00 0.10 0.12 2.58 3.38 -0.84 -0.27 115.31 120.38 1dvv h LEU 74 Ca -0.00 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1dvv h LEU 74 Cb 0.91 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1dvv h LEU 74 CO 0.05 0.68 -0.06 0.00 0.09 0.00 0.00 178.44 179.20 1dvv h ALA 75 N 1.32 -0.17 0.00 1.53 0.00 -0.82 -2.54 119.26 118.59 1dvv h ALA 75 Ca -0.01 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1dvv h ALA 75 Cb 1.08 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1dvv h ALA 75 CO 0.08 -0.26 -0.02 1.57 0.00 0.00 0.00 179.25 180.62 1dvv h LYS 76 N -0.83 0.00 -0.21 0.00 2.10 -1.49 -2.17 116.57 113.97 1dvv h LYS 76 Ca -0.02 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.52 1dvv h LYS 76 Cb 0.55 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.88 1dvv h LYS 76 CO 0.03 0.02 -0.31 2.35 -2.00 0.00 0.00 179.45 179.53 1dvv h TRP 77 N 0.00 0.73 -0.10 0.07 7.01 -0.95 -1.95 115.95 120.75 1dvv h TRP 77 Ca -0.00 -0.24 -0.00 0.00 2.11 0.00 0.00 58.89 60.75 1dvv h TRP 77 Cb 0.26 -0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 27.17 1dvv h TRP 77 CO 0.00 0.97 0.04 0.82 -2.79 0.00 0.00 178.44 177.49 1dvv h ILE 78 N 0.27 1.13 0.00 2.65 2.04 -0.96 0.16 117.51 122.80 1dvv h ILE 78 Ca 0.02 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1dvv h ILE 78 Cb 0.89 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.18 1dvv h ILE 78 CO 0.07 0.12 0.00 0.18 0.00 0.00 0.00 178.15 178.52 1dvv n LEU 79 N -4.93 0.00 -0.28 1.44 4.32 -1.07 -2.21 117.00 114.27 1dvv n LEU 79 Ca -0.06 0.49 0.06 0.00 -0.02 0.00 0.00 56.01 56.49 1dvv n LEU 79 Cb 0.10 -0.49 -0.01 0.00 -1.62 0.00 0.00 43.42 41.41 1dvv n LEU 79 CO 0.34 -0.26 0.22 -0.24 -1.22 0.00 0.00 177.39 176.22 1dvv n SER 80 N -1.49 1.36 -3.54 -1.43 2.88 -0.73 -4.96 113.62 105.71 1dvv n SER 80 Ca 0.03 -1.18 -0.18 0.00 -1.33 0.00 0.00 58.87 56.21 1dvv n SER 80 Cb 0.15 0.51 0.16 0.00 -0.75 0.00 0.00 64.21 64.28 1dvv n SER 80 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1dvv n GLN 81 N -0.28 -2.50 0.00 -1.46 1.13 -0.03 -5.04 117.38 109.19 1dvv n GLN 81 Ca 0.05 -0.74 0.15 0.00 -1.94 0.00 0.00 57.00 54.52 1dvv n GLN 81 Cb 0.27 -1.50 0.76 0.00 0.11 0.00 0.00 30.24 29.88 1dvv n GLN 81 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79