#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 1.16 0.05 -1.84 9.92 -1.26 -4.81 116.55 119.77 1dvv n ASP 2 Ca 0.00 0.95 0.03 0.00 -0.53 0.00 0.00 54.79 55.24 1dvv n ASP 2 Cb 0.00 -1.38 0.41 0.00 -0.64 0.00 0.00 41.12 39.51 1dvv n ASP 2 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1dvv h PRO 3 N 1.18 0.42 0.00 -0.24 0.14 -1.99 -1.13 132.00 130.37 1dvv h PRO 3 Ca -0.46 -0.05 -0.04 0.00 0.14 0.00 0.00 66.00 65.58 1dvv h PRO 3 Cb 1.34 -0.08 -0.01 0.00 0.14 0.00 0.00 31.00 32.40 1dvv h PRO 3 CO 0.55 0.38 -0.19 1.05 0.14 0.00 0.00 178.00 179.92 1dvv h GLU 4 N 0.42 0.00 0.39 0.86 4.11 -1.96 0.10 114.58 118.50 1dvv h GLU 4 Ca 0.10 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.51 1dvv h GLU 4 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1dvv h GLU 4 CO -0.01 0.19 -0.19 0.28 0.07 0.00 0.00 179.01 179.36 1dvv h VAL 5 N 0.00 0.11 0.00 -1.06 2.07 -1.55 -2.81 116.25 113.01 1dvv h VAL 5 Ca -0.00 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1dvv h VAL 5 Cb 0.40 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1dvv h VAL 5 CO 0.03 0.03 0.00 0.17 0.02 0.00 0.00 177.57 177.81 1dvv h LEU 6 N -1.11 0.00 0.24 2.57 8.10 -1.42 -2.56 115.31 121.13 1dvv h LEU 6 Ca -0.05 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.93 1dvv h LEU 6 Cb 0.44 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.66 1dvv h LEU 6 CO 0.09 0.00 -0.11 0.00 -4.11 0.00 0.00 178.44 174.30 1dvv h ALA 7 N 2.01 -0.32 0.00 0.17 0.00 -0.70 -2.40 119.26 118.02 1dvv h ALA 7 Ca 0.00 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1dvv h ALA 7 Cb 0.13 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1dvv h ALA 7 CO 0.00 -0.48 -0.32 -0.22 0.00 0.00 0.00 179.25 178.23 1dvv h LYS 8 N -0.71 0.00 -0.40 0.00 3.64 -1.22 -0.39 116.57 117.49 1dvv h LYS 8 Ca -0.03 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.24 1dvv h LYS 8 Cb 0.49 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 1dvv h LYS 8 CO 0.05 0.32 -0.18 -0.91 -2.27 0.00 0.00 179.45 176.47 1dvv h ASN 9 N 0.00 0.76 1.18 4.20 -0.26 -1.40 -2.63 115.58 117.43 1dvv h ASN 9 Ca -0.00 -0.25 0.00 0.00 -0.56 0.00 0.00 56.30 55.49 1dvv h ASN 9 Cb 0.57 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 37.63 1dvv h ASN 9 CO 0.04 0.93 -0.15 0.29 -1.06 0.00 0.00 177.43 177.48 1dvv n LYS 10 N -4.13 0.19 -0.14 0.81 4.76 -0.91 -4.90 118.16 113.84 1dvv n LYS 10 Ca 0.01 0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 1dvv n LYS 10 Cb 0.40 -1.69 0.00 0.00 -1.84 0.00 0.00 35.03 31.90 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 1.37 0.93 0.30 0.72 0.00 -0.98 -4.97 105.19 102.56 1dvv n GLY 11 Ca 0.05 -0.04 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 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 -4.21 1.07 0.03 0.00 2.81 -1.24 -2.76 117.12 112.82 1dvv n MET 13 Ca 0.03 -0.11 -0.14 0.00 -1.81 0.00 0.00 57.70 55.68 1dvv n MET 13 Cb 0.30 -1.15 -0.14 0.00 -0.71 0.00 0.00 33.22 31.52 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 3.32 0.47 0.00 3.04 0.00 -1.69 -3.38 119.26 121.02 1dvv h ALA 14 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 54.91 53.65 1dvv h ALA 14 Cb 0.04 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1dvv h ALA 14 CO 0.00 1.32 -0.96 0.00 0.00 0.00 0.00 179.25 179.61 1dvv s HIS 16 N -2.32 3.31 -0.09 0.00 4.02 -1.11 -1.44 115.29 117.67 1dvv s HIS 16 Ca 0.00 0.06 -0.01 0.00 1.02 0.00 0.00 55.06 56.13 1dvv s HIS 16 Cb 0.07 -1.60 0.03 0.00 -1.02 0.00 0.00 32.58 30.06 1dvv s HIS 16 CO 0.42 0.52 -0.04 0.00 1.02 0.00 0.00 174.74 176.66 1dvv s ALA 17 N -1.71 1.00 0.59 -1.40 0.00 -1.26 -4.75 121.76 114.23 1dvv s ALA 17 Ca 0.33 -0.32 0.34 0.00 0.00 0.00 0.00 51.96 52.31 1dvv s ALA 17 Cb -0.11 -0.78 1.19 0.00 0.00 0.00 0.00 23.12 23.43 1dvv s ALA 17 CO 0.26 -0.37 1.40 0.82 0.00 0.00 0.00 175.76 177.86 1dvv h ILE 18 N 6.23 0.01 0.00 0.00 2.04 -1.94 0.33 117.51 124.18 1dvv h ILE 18 Ca -0.26 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1dvv h ILE 18 Cb 1.13 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 1dvv h ILE 18 CO 0.35 0.00 0.00 -0.67 0.00 0.00 0.00 178.15 177.83 1dvv n ASP 19 N -3.48 0.00 -4.73 1.72 -0.08 -1.26 -1.58 116.55 107.13 1dvv n ASP 19 Ca 0.30 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 53.28 1dvv n ASP 19 Cb 1.68 0.00 0.12 0.00 2.34 0.00 0.00 41.12 45.26 1dvv n ASP 19 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1dvv s THR 20 N -1.00 2.84 -0.80 5.18 -4.23 -1.24 -4.61 115.64 111.78 1dvv s THR 20 Ca 0.00 0.27 -0.11 0.00 -1.18 0.00 0.00 61.69 60.68 1dvv s THR 20 Cb 0.00 -2.76 0.21 0.00 1.34 0.00 0.00 72.50 71.29 1dvv s THR 20 CO 0.00 -0.36 0.71 -0.54 -0.54 0.00 0.00 174.62 173.89 1dvv s LYS 21 N -4.93 3.37 0.00 3.99 1.02 -1.26 -3.84 119.74 118.09 1dvv s LYS 21 Ca 0.63 -2.55 0.00 0.00 0.02 0.00 0.00 55.97 54.07 1dvv s LYS 21 Cb -0.18 -4.25 0.00 0.00 -0.52 0.00 0.00 37.83 32.89 1dvv s LYS 21 CO 0.57 -1.26 0.00 -1.33 -0.92 0.00 0.00 175.35 172.41 1dvv n MET 22 N 3.72 0.00 -0.12 1.68 2.81 -1.26 -4.91 117.12 119.04 1dvv n MET 22 Ca 0.13 0.00 -0.16 0.00 -1.81 0.00 0.00 57.70 55.86 1dvv n MET 22 Cb 0.44 0.00 -0.12 0.00 -0.71 0.00 0.00 33.22 32.83 1dvv n MET 22 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1dvv n VAL 23 N 0.00 1.40 -4.37 2.03 0.31 -0.52 -5.02 118.33 112.16 1dvv n VAL 23 Ca 0.00 -0.56 -0.29 0.00 -0.01 0.00 0.00 64.34 63.48 1dvv n VAL 23 Cb 0.00 -1.31 -0.04 0.00 -0.91 0.00 0.00 33.84 31.58 1dvv n VAL 23 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1dvv n GLY 24 N 2.30 3.23 3.72 2.92 0.00 -0.66 -5.02 105.19 111.67 1dvv n GLY 24 Ca -0.43 -2.34 -0.42 0.00 0.00 0.00 0.00 46.02 42.84 1dvv n GLY 24 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1dvv s PRO 25 N -3.96 4.26 0.33 1.61 0.05 -1.26 -4.66 135.00 131.37 1dvv s PRO 25 Ca 0.13 2.23 -0.25 0.00 0.05 0.00 0.00 61.00 63.16 1dvv s PRO 25 Cb -0.01 -3.21 -0.15 0.00 0.05 0.00 0.00 34.50 31.18 1dvv s PRO 25 CO 0.08 -0.53 0.47 0.00 0.05 0.00 0.00 177.00 177.06 1dvv n ALA 26 N 4.01 -2.22 -0.11 8.56 0.00 -1.25 -4.59 120.51 124.90 1dvv n ALA 26 Ca 0.13 0.27 -0.05 0.00 0.00 0.00 0.00 53.44 53.79 1dvv n ALA 26 Cb 0.40 -1.67 0.02 0.00 0.00 0.00 0.00 19.45 18.21 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 0.88 -0.03 -0.07 0.00 0.05 -1.03 0.04 116.97 116.81 1dvv h TYR 27 Ca -0.35 0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.48 1dvv h TYR 27 Cb 1.42 0.07 -0.02 0.00 1.01 0.00 0.00 36.73 39.20 1dvv h TYR 27 CO 0.38 -0.07 -0.06 0.87 -1.05 0.00 0.00 178.16 178.22 1dvv h LYS 28 N 0.10 -0.08 -0.12 4.88 1.57 -1.50 -0.68 116.57 120.73 1dvv h LYS 28 Ca 0.18 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 59.01 1dvv h LYS 28 Cb 0.26 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 1dvv h LYS 28 CO -0.31 -0.05 0.11 -0.44 -0.57 0.00 0.00 179.45 178.19 1dvv h ASP 29 N -0.08 0.00 -0.39 0.86 3.32 -1.60 -1.55 116.42 116.98 1dvv h ASP 29 Ca 0.05 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.02 1dvv h ASP 29 Cb 0.15 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1dvv h ASP 29 CO -0.12 0.00 -0.06 0.58 -1.72 0.00 0.00 179.24 177.92 1dvv h VAL 30 N 0.00 1.27 0.00 -1.35 2.07 0.56 -2.32 116.25 116.48 1dvv h VAL 30 Ca 0.06 -1.12 -0.06 0.00 0.82 0.00 0.00 66.70 66.40 1dvv h VAL 30 Cb 0.29 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1dvv h VAL 30 CO -0.00 0.38 -0.28 0.00 0.02 0.00 0.00 177.57 177.69 1dvv h ALA 31 N 0.85 0.93 0.00 1.67 0.00 -1.00 -1.89 119.26 119.82 1dvv h ALA 31 Ca 0.10 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 1dvv h ALA 31 Cb 0.57 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1dvv h ALA 31 CO 0.03 0.35 -0.67 0.00 0.00 0.00 0.00 179.25 178.96 1dvv h ALA 32 N 1.72 0.75 0.10 0.00 0.00 -1.13 -2.18 119.26 118.52 1dvv h ALA 32 Ca -0.00 -0.61 -0.35 0.00 0.00 0.00 0.00 54.91 53.95 1dvv h ALA 32 Cb 0.94 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1dvv h ALA 32 CO 0.04 0.84 -1.92 1.17 0.00 0.00 0.00 179.25 179.37 1dvv n LYS 33 N -3.54 0.72 0.00 0.00 3.00 -0.90 -4.04 118.16 113.40 1dvv n LYS 33 Ca -0.00 0.30 0.13 0.00 -0.00 0.00 0.00 58.31 58.74 1dvv n LYS 33 Cb 0.71 -1.70 0.64 0.00 0.00 0.00 0.00 35.03 34.67 1dvv n LYS 33 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1dvv n TYR 34 N -3.63 0.00 -1.53 5.64 4.01 -0.72 -4.70 117.16 116.23 1dvv n TYR 34 Ca -0.33 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.26 1dvv n TYR 34 Cb 0.99 -0.39 -0.11 0.00 -0.31 0.00 0.00 39.34 39.52 1dvv n TYR 34 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1dvv n ALA 35 N -1.39 0.51 0.00 -0.72 0.00 -0.82 -1.88 120.51 116.21 1dvv n ALA 35 Ca 0.10 -1.32 0.00 0.00 0.00 0.00 0.00 53.44 52.22 1dvv n ALA 35 Cb 0.27 -3.02 0.00 0.00 0.00 0.00 0.00 19.45 16.70 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 6.40 2.23 3.13 0.00 0.00 -1.26 -5.06 105.19 110.63 1dvv n GLY 36 Ca 0.50 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.94 1dvv n GLY 36 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1dvv n GLN 37 N 0.00 -0.01 -1.84 1.61 1.13 -0.79 -4.77 117.38 112.71 1dvv n GLN 37 Ca 0.00 0.01 -0.37 0.00 -1.94 0.00 0.00 57.00 54.70 1dvv n GLN 37 Cb 0.00 -1.16 -0.02 0.00 0.11 0.00 0.00 30.24 29.17 1dvv n GLN 37 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1dvv n ALA 38 N -2.43 6.75 0.00 -1.58 0.00 -1.26 -4.40 120.51 117.60 1dvv n ALA 38 Ca 0.02 -3.79 0.00 0.00 0.00 0.00 0.00 53.44 49.67 1dvv n ALA 38 Cb 0.54 -2.64 0.00 0.00 0.00 0.00 0.00 19.45 17.34 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 1.61 0.59 0.17 0.00 0.00 -1.26 -5.04 105.19 101.25 1dvv n GLY 39 Ca 0.60 -0.65 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 1dvv n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dvv h ALA 40 N 0.00 0.28 -0.99 4.61 0.00 -1.90 -3.08 119.26 118.17 1dvv h ALA 40 Ca 0.00 -0.39 0.22 0.00 0.00 0.00 0.00 54.91 54.74 1dvv h ALA 40 Cb 0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.64 1dvv h ALA 40 CO 0.00 0.28 0.63 1.05 0.00 0.00 0.00 179.25 181.20 1dvv h GLU 41 N 0.16 0.54 0.76 0.00 4.11 -1.96 0.18 114.58 118.38 1dvv h GLU 41 Ca 0.02 -0.03 -0.04 0.00 0.07 0.00 0.00 59.36 59.38 1dvv h GLU 41 Cb 0.85 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.98 1dvv h GLU 41 CO 0.06 0.36 -0.37 0.00 0.07 0.00 0.00 179.01 179.13 1dvv h ALA 42 N 1.64 -1.03 0.00 1.06 0.00 -1.95 -0.61 119.26 118.38 1dvv h ALA 42 Ca 0.57 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1dvv h ALA 42 Cb 1.18 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1dvv h ALA 42 CO -0.32 -1.06 0.00 0.98 0.00 0.00 0.00 179.25 178.85 1dvv n TYR 43 N -5.52 0.65 0.09 0.00 9.36 -0.73 -0.98 117.16 120.03 1dvv n TYR 43 Ca -0.14 0.28 -0.05 0.00 3.32 0.00 0.00 57.90 61.31 1dvv n TYR 43 Cb 0.41 -0.95 -0.04 0.00 -0.63 0.00 0.00 39.34 38.14 1dvv n TYR 43 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1dvv h LEU 44 N 0.00 0.00 -0.24 2.98 3.38 0.16 -1.33 115.31 120.26 1dvv h LEU 44 Ca 0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 1dvv h LEU 44 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1dvv h LEU 44 CO 0.00 0.86 -0.81 0.00 0.09 0.00 0.00 178.44 178.58 1dvv h ALA 45 N 1.14 0.41 -0.03 1.53 0.00 0.48 0.77 119.26 123.56 1dvv h ALA 45 Ca -0.01 -0.63 -0.20 0.00 0.00 0.00 0.00 54.91 54.07 1dvv h ALA 45 Cb 1.59 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 1dvv h ALA 45 CO 0.11 0.73 -0.85 1.96 0.00 0.00 0.00 179.25 181.20 1dvv h GLN 46 N 0.38 0.36 0.00 0.00 4.20 -1.45 -2.67 115.11 115.92 1dvv h GLN 46 Ca -0.06 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 58.31 1dvv h GLN 46 Cb 1.42 0.09 0.00 0.00 0.30 0.00 0.00 27.48 29.29 1dvv h GLN 46 CO 0.15 1.02 -0.12 0.00 -0.67 0.00 0.00 178.83 179.21 1dvv h ARG 47 N 0.22 0.00 0.11 1.46 2.47 -1.22 -2.99 114.38 114.41 1dvv h ARG 47 Ca -0.05 0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 58.39 1dvv h ARG 47 Cb 1.46 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.78 1dvv h ARG 47 CO 0.14 0.00 -1.28 0.82 0.56 0.00 0.00 179.97 180.21 1dvv h ILE 48 N 0.00 1.44 0.00 2.04 2.04 -0.71 0.44 117.51 122.77 1dvv h ILE 48 Ca 0.00 -3.05 0.00 0.00 1.00 0.00 0.00 64.86 62.81 1dvv h ILE 48 Cb 0.83 2.89 0.00 0.00 -0.74 0.00 0.00 36.82 39.80 1dvv h ILE 48 CO 0.00 0.88 -0.27 1.17 0.00 0.00 0.00 178.15 179.93 1dvv n LYS 49 N -3.49 0.14 0.00 2.37 4.81 -1.02 -3.60 118.16 117.37 1dvv n LYS 49 Ca -0.09 0.07 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 1dvv n LYS 49 Cb 1.02 -1.62 0.00 0.00 0.02 0.00 0.00 35.03 34.45 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 -1.84 0.10 -1.34 3.14 4.05 -1.13 -3.97 115.26 114.27 1dvv n ASN 50 Ca 0.05 -0.51 0.16 0.00 0.45 0.00 0.00 54.58 54.74 1dvv n ASN 50 Cb 0.39 0.78 -0.09 0.00 1.23 0.00 0.00 39.78 42.09 1dvv n ASN 50 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1dvv n GLY 51 N 0.78 -3.32 3.64 8.20 0.00 0.15 -3.92 105.19 110.73 1dvv n GLY 51 Ca 0.00 -1.08 -0.02 0.00 0.00 0.00 0.00 46.02 44.92 1dvv n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1dvv s SER 52 N -7.03 -0.02 0.37 1.61 0.15 -0.33 -4.77 113.70 103.67 1dvv s SER 52 Ca 0.00 0.01 0.05 0.00 0.70 0.00 0.00 55.95 56.71 1dvv s SER 52 Cb 0.00 0.02 0.05 0.00 -1.71 0.00 0.00 66.02 64.38 1dvv s SER 52 CO 0.00 -0.03 0.39 0.00 1.20 0.00 0.00 173.24 174.80 1dvv n GLN 53 N 0.26 0.86 -1.03 5.44 0.00 -1.26 -1.24 117.38 120.40 1dvv n GLN 53 Ca 0.03 -2.14 -0.01 0.00 0.00 0.00 0.00 57.00 54.87 1dvv n GLN 53 Cb 0.58 0.05 -0.00 0.00 0.00 0.00 0.00 30.24 30.86 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 0.54 0.26 0.05 2.61 0.00 -1.20 -4.84 105.19 102.62 1dvv n GLY 54 Ca 0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 1dvv n GLY 54 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1dvv h VAL 55 N 0.00 0.00 0.00 1.61 2.07 -1.93 -3.45 116.25 114.55 1dvv h VAL 55 Ca -0.02 -0.78 -0.08 0.00 0.82 0.00 0.00 66.70 66.64 1dvv h VAL 55 Cb 0.72 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1dvv h VAL 55 CO 0.03 0.00 -1.31 0.79 0.02 0.00 0.00 177.57 177.10 1dvv n TRP 56 N -4.09 0.00 -3.00 1.57 7.02 -1.26 -5.11 117.44 112.57 1dvv n TRP 56 Ca -0.05 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.43 1dvv n TRP 56 Cb 0.19 -0.22 0.00 0.00 -2.42 0.00 0.00 31.31 28.86 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 2.92 1.79 0.00 6.99 0.00 -1.26 -4.99 105.19 110.63 1dvv n GLY 57 Ca -0.08 -0.89 0.02 0.00 0.00 0.00 0.00 46.02 45.07 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 0.00 0.47 -3.66 1.61 -0.05 -1.26 -3.22 135.00 128.90 1dvv n PRO 58 Ca 0.00 0.00 -0.38 0.00 -0.05 0.00 0.00 63.50 63.07 1dvv n PRO 58 Cb 0.00 -1.16 -0.08 0.00 -0.05 0.00 0.00 33.50 32.21 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 4.01 0.40 0.52 1.01 -1.26 -4.93 121.20 118.95 1dvv s ILE 59 Ca 0.07 -2.91 -0.27 0.00 0.00 0.00 0.00 60.65 57.54 1dvv s ILE 59 Cb 0.03 -3.58 -0.10 0.00 0.01 0.00 0.00 42.46 38.82 1dvv s ILE 59 CO 0.05 -0.91 1.42 -2.84 0.00 0.00 0.00 174.94 172.67 1dvv s PRO 60 N -0.07 3.97 0.05 2.79 0.01 -1.26 -4.85 135.00 135.64 1dvv s PRO 60 Ca 0.17 2.43 -0.31 0.00 0.01 0.00 0.00 61.00 63.30 1dvv s PRO 60 Cb -0.19 -2.84 -0.06 0.00 0.01 0.00 0.00 34.50 31.42 1dvv s PRO 60 CO -0.04 -0.59 1.30 1.41 0.01 0.00 0.00 177.00 179.09 1dvv s MET 61 N -2.21 4.36 0.20 5.54 -2.45 -0.37 -4.70 119.30 119.66 1dvv s MET 61 Ca 0.56 1.90 -0.31 0.00 -1.25 0.00 0.00 55.69 56.58 1dvv s MET 61 Cb -0.44 -3.39 -0.11 0.00 1.25 0.00 0.00 34.83 32.15 1dvv s MET 61 CO 0.58 -0.40 1.60 -1.25 1.05 0.00 0.00 175.02 176.60 1dvv s PRO 62 N 1.48 4.19 0.20 4.11 0.05 -1.26 -1.19 135.00 142.58 1dvv s PRO 62 Ca 0.61 2.44 -0.33 0.00 0.05 0.00 0.00 61.00 63.78 1dvv s PRO 62 Cb -0.32 -3.12 -0.13 0.00 0.05 0.00 0.00 34.50 30.99 1dvv s PRO 62 CO 0.28 -0.63 1.60 -2.30 0.05 0.00 0.00 177.00 176.00 1dvv n PRO 63 N 3.66 2.39 -3.86 0.56 -0.01 -1.25 -4.50 135.00 131.99 1dvv n PRO 63 Ca 0.13 0.86 -0.21 0.00 -0.01 0.00 0.00 63.50 64.27 1dvv n PRO 63 Cb 0.38 -2.64 -0.03 0.00 -0.01 0.00 0.00 33.50 31.20 1dvv n PRO 63 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 175.50 174.69 1dvv s ASN 64 N 0.86 5.41 -0.27 2.55 0.01 -1.24 -4.87 114.94 117.39 1dvv s ASN 64 Ca 0.75 -0.41 0.02 0.00 -0.71 0.00 0.00 52.86 52.51 1dvv s ASN 64 Cb -0.60 -1.10 0.39 0.00 0.41 0.00 0.00 41.25 40.34 1dvv s ASN 64 CO 0.39 -0.29 1.55 0.00 -1.51 0.00 0.00 177.10 177.24 1dvv n ALA 65 N -1.35 4.35 -2.34 0.60 0.00 -1.26 -4.66 120.51 115.84 1dvv n ALA 65 Ca -0.03 -1.70 -0.43 0.00 0.00 0.00 0.00 53.44 51.28 1dvv n ALA 65 Cb 0.59 -1.27 -0.02 0.00 0.00 0.00 0.00 19.45 18.75 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 -1.95 4.06 0.95 0.00 -7.23 -1.26 -4.99 120.40 109.97 1dvv s VAL 66 Ca 0.33 1.21 -0.11 0.00 -1.81 0.00 0.00 61.98 61.60 1dvv s VAL 66 Cb 0.28 -4.01 0.17 0.00 0.56 0.00 0.00 36.38 33.38 1dvv s VAL 66 CO 0.06 -0.36 0.36 -1.20 -0.31 0.00 0.00 175.10 173.65 1dvv n SER 67 N 7.60 -2.98 0.04 4.85 7.64 -1.26 -4.35 113.62 125.15 1dvv n SER 67 Ca 0.15 -0.38 -0.02 0.00 1.01 0.00 0.00 58.87 59.63 1dvv n SER 67 Cb 0.46 -0.73 -0.01 0.00 -1.01 0.00 0.00 64.21 62.92 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 -2.72 -0.09 -1.33 6.43 3.58 -1.98 -1.66 116.42 118.66 1dvv h ASP 68 Ca -0.19 0.00 0.39 0.00 0.42 0.00 0.00 57.03 57.65 1dvv h ASP 68 Cb 0.62 0.02 -0.08 0.00 1.72 0.00 0.00 39.33 41.62 1dvv h ASP 68 CO 0.11 -0.05 0.92 -0.78 -2.88 0.00 0.00 179.24 176.56 1dvv h ASP 69 N -0.14 0.12 0.08 2.28 1.82 -1.99 0.11 116.42 118.70 1dvv h ASP 69 Ca -0.01 0.04 -0.00 0.00 -0.39 0.00 0.00 57.03 56.66 1dvv h ASP 69 Cb 0.08 0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.12 1dvv h ASP 69 CO 0.02 -0.01 -0.04 -0.33 -1.61 0.00 0.00 179.24 177.27 1dvv h GLU 70 N 0.09 -0.10 0.00 0.28 3.07 -1.84 -2.39 114.58 113.69 1dvv h GLU 70 Ca 0.68 0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 59.54 1dvv h GLU 70 Cb 2.45 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 30.39 1dvv h GLU 70 CO -0.13 0.29 -0.02 0.00 -1.40 0.00 0.00 179.01 177.75 1dvv h ALA 71 N 0.34 1.07 -0.08 3.43 0.00 0.15 -1.14 119.26 123.04 1dvv h ALA 71 Ca -0.01 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1dvv h ALA 71 Cb 0.44 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1dvv h ALA 71 CO 0.02 0.02 -0.15 1.96 0.00 0.00 0.00 179.25 181.10 1dvv h GLN 72 N 0.00 0.24 0.00 0.00 4.20 -0.89 -1.88 115.11 116.78 1dvv h GLN 72 Ca -0.00 -0.15 -0.04 0.00 0.06 0.00 0.00 58.65 58.52 1dvv h GLN 72 Cb 0.20 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1dvv h GLN 72 CO 0.00 0.74 -0.18 1.15 -0.67 0.00 0.00 178.83 179.87 1dvv h THR 73 N -0.24 0.57 -0.38 -0.54 2.02 -0.90 -2.39 112.91 111.05 1dvv h THR 73 Ca 0.00 -0.85 -0.13 0.00 0.77 0.00 0.00 66.41 66.21 1dvv h THR 73 Cb 0.73 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.70 1dvv h THR 73 CO 0.03 0.18 -0.26 -0.07 0.37 0.00 0.00 175.52 175.77 1dvv h LEU 74 N 0.00 0.89 -0.06 2.58 3.38 -0.96 -0.53 115.31 120.60 1dvv h LEU 74 Ca -0.00 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.52 1dvv h LEU 74 Cb 0.55 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1dvv h LEU 74 CO 0.02 1.13 -0.02 0.00 0.09 0.00 0.00 178.44 179.66 1dvv h ALA 75 N 0.79 0.09 0.00 1.53 0.00 -0.94 -2.04 119.26 118.69 1dvv h ALA 75 Ca 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1dvv h ALA 75 Cb 0.83 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1dvv h ALA 75 CO 0.07 -0.18 0.00 0.87 0.00 0.00 0.00 179.25 180.01 1dvv h LYS 76 N -0.22 0.00 0.06 0.00 1.57 -1.43 -2.40 116.57 114.15 1dvv h LYS 76 Ca 0.02 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.68 1dvv h LYS 76 Cb 0.43 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.75 1dvv h LYS 76 CO 0.01 0.00 -0.51 2.35 -0.57 0.00 0.00 179.45 180.73 1dvv h TRP 77 N 0.00 0.39 -0.13 -1.35 7.01 -0.59 -1.51 115.95 119.77 1dvv h TRP 77 Ca 0.00 -0.26 -0.01 0.00 2.11 0.00 0.00 58.89 60.74 1dvv h TRP 77 Cb 0.18 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.20 1dvv h TRP 77 CO 0.00 1.15 0.06 0.82 -2.79 0.00 0.00 178.44 177.68 1dvv h ILE 78 N -0.48 1.15 0.00 2.65 2.04 -0.99 -1.46 117.51 120.42 1dvv h ILE 78 Ca -0.08 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.34 1dvv h ILE 78 Cb 1.34 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.61 1dvv h ILE 78 CO 0.10 0.13 0.00 0.18 0.00 0.00 0.00 178.15 178.56 1dvv n LEU 79 N -4.90 0.55 0.05 1.44 4.77 -0.94 -2.50 117.00 115.48 1dvv n LEU 79 Ca -0.05 0.62 -0.10 0.00 -0.03 0.00 0.00 56.01 56.45 1dvv n LEU 79 Cb 0.11 -0.52 -0.13 0.00 -2.33 0.00 0.00 43.42 40.55 1dvv n LEU 79 CO 0.34 -0.43 -0.08 0.28 -1.33 0.00 0.00 177.39 176.17 1dvv h SER 80 N 0.00 0.14 -0.77 -1.43 0.02 -0.36 -3.34 113.55 107.80 1dvv h SER 80 Ca 0.00 -0.17 0.12 0.00 -0.84 0.00 0.00 61.79 60.91 1dvv h SER 80 Cb 0.40 -0.04 -0.13 0.00 0.14 0.00 0.00 62.40 62.77 1dvv h SER 80 CO 0.00 1.13 -0.38 1.56 -1.14 0.00 0.00 176.83 178.00 1dvv h GLN 81 N 0.02 -0.10 0.00 3.45 1.08 -0.99 -3.50 115.11 115.07 1dvv h GLN 81 Ca -0.11 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1dvv h GLN 81 Cb 1.88 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 29.34 1dvv h GLN 81 CO 0.14 -0.06 0.00 1.17 -0.95 0.00 0.00 178.83 179.13