#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dvv s ASP 2 N 0.00 6.54 0.29 4.31 1.11 -1.26 -4.96 116.67 122.70 1dvv s ASP 2 Ca 0.00 1.32 -0.02 0.00 0.18 0.00 0.00 52.55 54.03 1dvv s ASP 2 Cb 0.00 -2.41 0.42 0.00 1.07 0.00 0.00 42.92 42.01 1dvv s ASP 2 CO 0.00 -0.51 1.94 1.55 1.18 0.00 0.00 175.17 179.34 1dvv h PRO 3 N 1.01 1.06 -0.79 8.23 0.13 -2.01 -2.19 132.00 137.44 1dvv h PRO 3 Ca -0.47 -0.09 0.13 0.00 -0.87 0.00 0.00 66.00 64.70 1dvv h PRO 3 Cb 1.19 -0.23 -0.09 0.00 0.13 0.00 0.00 31.00 32.00 1dvv h PRO 3 CO 0.63 0.74 0.39 1.49 -0.23 0.00 0.00 178.00 181.01 1dvv h GLU 4 N 1.09 0.57 -0.91 0.86 4.81 -1.93 0.21 114.58 119.28 1dvv h GLU 4 Ca 0.29 -0.03 0.13 0.00 -0.13 0.00 0.00 59.36 59.61 1dvv h GLU 4 Cb -0.06 -0.13 -0.07 0.00 0.63 0.00 0.00 28.75 29.12 1dvv h GLU 4 CO -0.06 0.38 0.58 0.28 -0.73 0.00 0.00 179.01 179.46 1dvv h VAL 5 N 0.59 0.87 -0.47 0.32 2.07 -1.78 0.11 116.25 117.96 1dvv h VAL 5 Ca 0.42 -0.27 -0.07 0.00 0.82 0.00 0.00 66.70 67.60 1dvv h VAL 5 Cb 0.56 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1dvv h VAL 5 CO -0.34 0.14 0.01 -0.07 0.02 0.00 0.00 177.57 177.33 1dvv h LEU 6 N 0.78 0.74 -1.47 2.57 3.38 -0.63 -1.55 115.31 119.13 1dvv h LEU 6 Ca 0.45 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.22 1dvv h LEU 6 Cb 0.62 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1dvv h LEU 6 CO -0.21 0.80 -0.15 0.00 0.09 0.00 0.00 178.44 178.98 1dvv h ALA 7 N 1.28 1.08 0.07 1.53 0.00 -0.35 -2.44 119.26 120.43 1dvv h ALA 7 Ca 0.14 -0.13 -0.31 0.00 0.00 0.00 0.00 54.91 54.61 1dvv h ALA 7 Cb 0.43 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1dvv h ALA 7 CO 0.02 0.18 -1.72 -0.22 0.00 0.00 0.00 179.25 177.51 1dvv h LYS 8 N 0.00 0.15 -0.18 0.00 3.64 -0.74 0.68 116.57 120.11 1dvv h LYS 8 Ca -0.00 -0.25 -0.16 0.00 -1.27 0.00 0.00 60.65 58.97 1dvv h LYS 8 Cb 0.56 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1dvv h LYS 8 CO 0.02 0.89 -0.55 -0.91 -2.27 0.00 0.00 179.45 176.63 1dvv h ASN 9 N 0.04 0.60 0.68 4.20 -0.26 -1.19 -3.11 115.58 116.54 1dvv h ASN 9 Ca -0.30 -0.32 0.00 0.00 -0.56 0.00 0.00 56.30 55.11 1dvv h ASN 9 Cb 2.01 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 39.10 1dvv h ASN 9 CO 0.11 1.03 -0.66 0.29 -1.06 0.00 0.00 177.43 177.14 1dvv n LYS 10 N -3.96 0.20 -0.51 0.81 4.01 -0.93 -4.93 118.16 112.86 1dvv n LYS 10 Ca -0.03 0.04 0.00 0.00 -0.51 0.00 0.00 58.31 57.81 1dvv n LYS 10 Cb 0.60 -1.61 0.00 0.00 -0.51 0.00 0.00 35.03 33.51 1dvv n LYS 10 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1dvv n GLY 11 N 1.39 0.70 0.30 0.72 0.00 -1.05 -4.94 105.19 102.31 1dvv n GLY 11 Ca 0.04 -0.44 0.17 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.38 1.91 -0.09 0.00 2.81 -0.83 -3.39 117.12 114.15 1dvv n MET 13 Ca -0.02 -1.41 -0.17 0.00 -1.81 0.00 0.00 57.70 54.30 1dvv n MET 13 Cb 0.17 -1.33 -0.10 0.00 -0.71 0.00 0.00 33.22 31.24 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 3.82 0.15 0.00 3.04 0.00 -1.57 -3.39 119.26 121.31 1dvv h ALA 14 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.04 1dvv h ALA 14 Cb 0.54 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1dvv h ALA 14 CO 0.00 0.44 -1.12 0.00 0.00 0.00 0.00 179.25 178.57 1dvv s HIS 16 N -3.27 3.16 -0.06 0.00 4.02 -1.22 -1.31 115.29 116.62 1dvv s HIS 16 Ca 0.02 -0.11 -0.02 0.00 1.02 0.00 0.00 55.06 55.97 1dvv s HIS 16 Cb 0.13 -1.47 0.04 0.00 -1.02 0.00 0.00 32.58 30.26 1dvv s HIS 16 CO 0.81 0.48 0.12 0.00 1.02 0.00 0.00 174.74 177.16 1dvv s ALA 17 N -2.12 -0.13 0.56 -1.40 0.00 -1.26 -4.72 121.76 112.69 1dvv s ALA 17 Ca 0.34 0.53 0.32 0.00 0.00 0.00 0.00 51.96 53.15 1dvv s ALA 17 Cb -0.08 -0.51 1.09 0.00 0.00 0.00 0.00 23.12 23.62 1dvv s ALA 17 CO 0.26 -0.27 1.29 -0.89 0.00 0.00 0.00 175.76 176.15 1dvv n ILE 18 N 4.56 0.00 0.00 0.00 -0.00 -1.26 -1.18 119.36 121.49 1dvv n ILE 18 Ca -0.20 1.25 0.00 0.00 -0.00 0.00 0.00 62.75 63.80 1dvv n ILE 18 Cb 0.51 -2.18 0.00 0.00 -0.00 0.00 0.00 39.64 37.96 1dvv n ILE 18 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 1dvv n ASP 19 N -3.33 0.00 -4.70 4.38 8.00 -1.26 -1.69 116.55 117.95 1dvv n ASP 19 Ca 0.28 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.48 1dvv n ASP 19 Cb 1.58 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 42.83 1dvv n ASP 19 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1dvv s THR 20 N -1.00 2.53 -0.50 -3.53 -4.23 -1.24 -4.48 115.64 103.20 1dvv s THR 20 Ca 0.00 0.17 -0.02 0.00 -1.18 0.00 0.00 61.69 60.66 1dvv s THR 20 Cb 0.00 -2.63 0.13 0.00 1.34 0.00 0.00 72.50 71.34 1dvv s THR 20 CO 0.00 -0.23 0.29 -0.54 -0.54 0.00 0.00 174.62 173.60 1dvv s LYS 21 N -4.91 2.18 0.00 3.99 1.02 -1.26 -3.70 119.74 117.05 1dvv s LYS 21 Ca 0.64 -2.16 0.00 0.00 0.02 0.00 0.00 55.97 54.47 1dvv s LYS 21 Cb -0.18 -3.59 0.00 0.00 -0.52 0.00 0.00 37.83 33.53 1dvv s LYS 21 CO 0.57 -1.11 0.00 -1.33 -0.92 0.00 0.00 175.35 172.57 1dvv n MET 22 N 4.03 0.00 -0.06 1.68 2.81 -1.26 -4.85 117.12 119.47 1dvv n MET 22 Ca 0.03 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.88 1dvv n MET 22 Cb 0.39 -0.07 -0.13 0.00 -0.71 0.00 0.00 33.22 32.71 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 -0.13 0.80 -4.64 2.03 0.31 -0.58 -5.01 118.33 111.10 1dvv n VAL 23 Ca 0.00 -0.60 -0.29 0.00 -0.01 0.00 0.00 64.34 63.44 1dvv n VAL 23 Cb 0.00 -0.40 -0.08 0.00 -0.91 0.00 0.00 33.84 32.45 1dvv n VAL 23 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1dvv s GLY 24 N -4.68 2.78 0.27 2.92 0.00 -0.43 -5.00 107.32 103.19 1dvv s GLY 24 Ca -0.07 -0.93 -0.29 0.00 0.00 0.00 0.00 44.72 43.42 1dvv s GLY 24 CO 0.66 -2.03 1.33 2.56 0.00 0.00 0.00 173.10 175.62 1dvv s PRO 25 N -3.80 4.36 1.01 2.90 0.05 -1.26 -4.67 135.00 133.58 1dvv s PRO 25 Ca 0.16 2.17 -0.19 0.00 0.05 0.00 0.00 61.00 63.20 1dvv s PRO 25 Cb 0.03 -3.12 -0.08 0.00 0.05 0.00 0.00 34.50 31.38 1dvv s PRO 25 CO 0.09 -0.25 -0.55 0.00 0.05 0.00 0.00 177.00 176.35 1dvv n ALA 26 N 1.76 -4.66 -0.01 8.56 0.00 -1.24 -4.62 120.51 120.30 1dvv n ALA 26 Ca 0.03 -0.91 -0.17 0.00 0.00 0.00 0.00 53.44 52.39 1dvv n ALA 26 Cb 0.42 -1.29 -0.13 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 -1.30 0.34 0.21 0.00 0.05 -1.18 -3.04 116.97 112.05 1dvv h TYR 27 Ca -0.44 -0.22 0.01 0.00 0.05 0.00 0.00 58.73 58.12 1dvv h TYR 27 Cb 1.33 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 39.02 1dvv h TYR 27 CO 0.20 1.11 -0.24 -0.22 -1.05 0.00 0.00 178.16 177.96 1dvv h LYS 28 N -0.53 -0.48 -0.98 4.88 3.11 -1.49 -1.40 116.57 119.68 1dvv h LYS 28 Ca -0.07 0.03 0.22 0.00 -2.81 0.00 0.00 60.65 58.03 1dvv h LYS 28 Cb 1.27 0.11 -0.09 0.00 -1.00 0.00 0.00 32.23 32.53 1dvv h LYS 28 CO 0.08 -0.32 0.63 -0.44 -2.81 0.00 0.00 179.45 176.59 1dvv h ASP 29 N -0.50 0.51 -0.52 4.20 5.19 -1.81 0.20 116.42 123.69 1dvv h ASP 29 Ca 0.00 0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.47 1dvv h ASP 29 Cb 0.48 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.94 1dvv h ASP 29 CO -0.07 0.16 0.29 0.58 -3.12 0.00 0.00 179.24 177.08 1dvv h VAL 30 N 0.48 1.17 0.00 -1.35 2.07 -1.14 -2.03 116.25 115.46 1dvv h VAL 30 Ca 0.54 -0.44 -0.05 0.00 0.82 0.00 0.00 66.70 67.57 1dvv h VAL 30 Cb 1.24 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1dvv h VAL 30 CO -0.27 0.19 -0.24 0.00 0.02 0.00 0.00 177.57 177.27 1dvv h ALA 31 N 1.12 0.98 0.00 1.67 0.00 -0.65 -2.45 119.26 119.94 1dvv h ALA 31 Ca 0.18 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1dvv h ALA 31 Cb 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1dvv h ALA 31 CO -0.03 0.30 -0.28 0.00 0.00 0.00 0.00 179.25 179.24 1dvv h ALA 32 N 1.76 0.87 0.10 0.00 0.00 -0.62 -2.00 119.26 119.37 1dvv h ALA 32 Ca -0.00 -0.26 -0.34 0.00 0.00 0.00 0.00 54.91 54.31 1dvv h ALA 32 Cb 0.82 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1dvv h ALA 32 CO 0.03 0.36 -1.83 1.17 0.00 0.00 0.00 179.25 178.98 1dvv n LYS 33 N -3.25 0.72 -0.04 0.00 3.00 -0.82 -4.00 118.16 113.77 1dvv n LYS 33 Ca 0.02 0.33 0.10 0.00 -0.00 0.00 0.00 58.31 58.77 1dvv n LYS 33 Cb 0.57 -1.72 0.48 0.00 0.00 0.00 0.00 35.03 34.36 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 -3.70 0.10 -1.55 5.64 4.01 -0.94 -4.81 117.16 115.92 1dvv n TYR 34 Ca -0.32 -0.05 -0.27 0.00 -0.16 0.00 0.00 57.90 57.10 1dvv n TYR 34 Cb 0.97 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.93 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 -0.18 0.59 0.00 -0.72 0.00 -0.75 -1.98 120.51 117.47 1dvv n ALA 35 Ca 0.16 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.53 1dvv n ALA 35 Cb 0.22 -3.13 0.00 0.00 0.00 0.00 0.00 19.45 16.54 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 6.33 3.15 3.58 0.00 0.00 -1.26 -5.06 105.19 111.92 1dvv n GLY 36 Ca 0.45 -0.42 -0.46 0.00 0.00 0.00 0.00 46.02 45.59 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 1.25 -1.40 1.61 1.13 -0.84 -4.82 117.38 114.32 1dvv n GLN 37 Ca 0.00 0.44 -0.24 0.00 -1.94 0.00 0.00 57.00 55.26 1dvv n GLN 37 Cb 0.00 -1.82 -0.08 0.00 0.11 0.00 0.00 30.24 28.45 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 0.51 6.47 0.00 -1.58 0.00 -1.26 -4.04 120.51 120.60 1dvv n ALA 38 Ca 0.11 -2.83 0.00 0.00 0.00 0.00 0.00 53.44 50.72 1dvv n ALA 38 Cb 0.30 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.53 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 1.30 0.00 0.21 0.00 0.00 -1.26 -5.03 105.19 100.41 1dvv n GLY 39 Ca 0.48 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.64 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 1.00 -0.04 4.61 0.00 -1.93 -3.12 119.26 119.79 1dvv h ALA 40 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 1dvv h ALA 40 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.80 1dvv h ALA 40 CO 0.00 0.00 -0.90 1.49 0.00 0.00 0.00 179.25 179.84 1dvv h GLU 41 N 0.00 0.52 0.14 0.00 4.81 -1.95 -0.04 114.58 118.05 1dvv h GLU 41 Ca 0.00 -0.51 -0.01 0.00 -0.13 0.00 0.00 59.36 58.71 1dvv h GLU 41 Cb 0.75 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.26 1dvv h GLU 41 CO 0.00 1.14 -0.07 0.00 -0.73 0.00 0.00 179.01 179.35 1dvv h ALA 42 N 0.69 -0.19 -0.14 2.92 0.00 -1.95 0.08 119.26 120.67 1dvv h ALA 42 Ca -0.08 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 1dvv h ALA 42 Cb 1.52 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 1dvv h ALA 42 CO 0.16 -0.44 -0.22 -0.92 0.00 0.00 0.00 179.25 177.83 1dvv h TYR 43 N -0.51 0.27 -0.05 0.00 5.03 -1.62 -0.42 116.97 119.67 1dvv h TYR 43 Ca -0.02 -0.04 -0.05 0.00 2.58 0.00 0.00 58.73 61.20 1dvv h TYR 43 Cb 0.40 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.60 1dvv h TYR 43 CO 0.03 0.46 -0.20 -0.07 -1.32 0.00 0.00 178.16 177.06 1dvv h LEU 44 N 0.23 0.08 -0.75 2.82 3.38 -0.78 -1.33 115.31 118.95 1dvv h LEU 44 Ca 0.04 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 1dvv h LEU 44 Cb 0.52 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1dvv h LEU 44 CO 0.04 0.28 -0.43 0.00 0.09 0.00 0.00 178.44 178.42 1dvv h ALA 45 N 1.72 0.92 -0.15 1.53 0.00 0.73 -0.44 119.26 123.58 1dvv h ALA 45 Ca 0.01 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 1dvv h ALA 45 Cb 0.40 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1dvv h ALA 45 CO 0.03 0.64 -0.34 1.96 0.00 0.00 0.00 179.25 181.53 1dvv h GLN 46 N 0.35 0.49 0.00 0.00 4.20 -0.80 -2.38 115.11 116.97 1dvv h GLN 46 Ca 0.03 -0.33 -0.00 0.00 0.06 0.00 0.00 58.65 58.40 1dvv h GLN 46 Cb 0.91 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.73 1dvv h GLN 46 CO 0.08 0.95 -0.02 0.00 -0.67 0.00 0.00 178.83 179.16 1dvv h ARG 47 N 0.11 0.00 0.04 1.46 2.47 -1.31 -2.12 114.38 115.04 1dvv h ARG 47 Ca -0.00 0.00 -0.23 0.00 -1.26 0.00 0.00 59.98 58.48 1dvv h ARG 47 Cb 0.95 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.25 1dvv h ARG 47 CO 0.08 0.02 -1.12 0.82 0.56 0.00 0.00 179.97 180.33 1dvv h ILE 48 N 0.00 1.60 0.00 2.04 2.04 -0.98 0.73 117.51 122.95 1dvv h ILE 48 Ca -0.00 -3.28 -0.01 0.00 1.00 0.00 0.00 64.86 62.57 1dvv h ILE 48 Cb 0.71 2.85 -0.00 0.00 -0.74 0.00 0.00 36.82 39.64 1dvv h ILE 48 CO 0.00 0.93 -0.86 0.50 0.00 0.00 0.00 178.15 178.72 1dvv h LYS 49 N 0.02 0.00 -0.00 2.37 3.64 -1.33 -3.33 116.57 117.94 1dvv h LYS 49 Ca -0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1dvv h LYS 49 Cb 1.84 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.66 1dvv h LYS 49 CO 0.15 0.02 -0.18 -1.71 -2.27 0.00 0.00 179.45 175.45 1dvv n ASN 50 N -2.76 0.86 -1.37 4.20 5.15 -0.81 -2.88 115.26 117.66 1dvv n ASN 50 Ca 0.00 -0.93 0.16 0.00 -0.60 0.00 0.00 54.58 53.21 1dvv n ASN 50 Cb 0.56 0.58 -0.08 0.00 -0.53 0.00 0.00 39.78 40.31 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 0.85 -2.84 0.00 8.20 0.00 0.25 -3.88 105.19 107.77 1dvv n GLY 51 Ca 0.03 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.12 1dvv n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1dvv n SER 52 N -4.27 0.00 -3.48 1.61 2.88 -0.17 -4.76 113.62 105.42 1dvv n SER 52 Ca -0.07 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.33 1dvv n SER 52 Cb 0.64 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 1dvv n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1dvv n GLN 53 N -0.12 1.05 -1.22 -1.46 0.00 -1.26 -1.40 117.38 112.96 1dvv n GLN 53 Ca 0.00 -1.79 -0.08 0.00 0.00 0.00 0.00 57.00 55.14 1dvv n GLN 53 Cb 0.00 0.17 -0.03 0.00 0.00 0.00 0.00 30.24 30.38 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 1.52 0.91 0.08 2.61 0.00 -1.24 -4.87 105.19 104.20 1dvv n GLY 54 Ca -0.01 -0.33 -0.08 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.59 1.39 -0.01 1.61 0.31 -1.26 -4.89 118.33 112.88 1dvv n VAL 55 Ca -0.08 0.18 -0.01 0.00 -0.01 0.00 0.00 64.34 64.42 1dvv n VAL 55 Cb 0.34 -2.30 -0.01 0.00 -0.91 0.00 0.00 33.84 30.96 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 -4.36 0.00 -2.77 3.52 7.02 -1.26 -5.12 117.44 114.47 1dvv n TRP 56 Ca -0.12 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.36 1dvv n TRP 56 Cb 0.44 -0.08 0.00 0.00 -2.42 0.00 0.00 31.31 29.25 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 3.39 2.11 0.13 6.99 0.00 -1.26 -4.99 105.19 111.56 1dvv n GLY 57 Ca -0.04 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 0.55 -3.55 1.61 -0.05 -1.26 -3.70 135.00 128.60 1dvv n PRO 58 Ca 0.00 0.00 -0.37 0.00 -0.05 0.00 0.00 63.50 63.08 1dvv n PRO 58 Cb 0.00 -1.07 -0.05 0.00 -0.05 0.00 0.00 33.50 32.33 1dvv n PRO 58 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 175.50 174.56 1dvv n ILE 59 N -0.32 3.29 -1.76 0.52 5.41 -1.26 -4.99 119.36 120.25 1dvv n ILE 59 Ca 0.00 -5.21 -0.41 0.00 1.00 0.00 0.00 62.75 58.13 1dvv n ILE 59 Cb 0.03 -2.35 0.00 0.00 -0.71 0.00 0.00 39.64 36.61 1dvv n ILE 59 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1dvv n PRO 60 N 2.14 2.54 -2.38 0.38 -0.01 -1.26 -4.89 135.00 131.51 1dvv n PRO 60 Ca 0.23 0.89 -0.41 0.00 -0.01 0.00 0.00 63.50 64.20 1dvv n PRO 60 Cb 0.37 -2.61 -0.03 0.00 -0.01 0.00 0.00 33.50 31.22 1dvv n PRO 60 CO 0.00 0.00 0.00 1.41 -0.01 0.00 0.00 175.50 176.90 1dvv s MET 61 N -2.11 4.50 0.22 -0.52 -2.45 -0.50 -4.69 119.30 113.75 1dvv s MET 61 Ca 0.54 1.87 -0.30 0.00 -1.25 0.00 0.00 55.69 56.55 1dvv s MET 61 Cb -0.49 -3.24 -0.09 0.00 1.25 0.00 0.00 34.83 32.27 1dvv s MET 61 CO 0.63 -0.06 1.31 -1.25 1.05 0.00 0.00 175.02 176.69 1dvv s PRO 62 N -0.34 4.39 0.60 4.11 0.05 -1.26 -1.00 135.00 141.55 1dvv s PRO 62 Ca 0.52 2.07 -0.20 0.00 0.05 0.00 0.00 61.00 63.44 1dvv s PRO 62 Cb -0.32 -3.18 -0.03 0.00 0.05 0.00 0.00 34.50 31.01 1dvv s PRO 62 CO 0.37 -0.24 1.27 -2.30 0.05 0.00 0.00 177.00 176.15 1dvv n PRO 63 N 2.40 1.32 -4.51 0.56 -0.01 -1.25 -4.43 135.00 129.08 1dvv n PRO 63 Ca 0.05 0.50 -0.24 0.00 -0.01 0.00 0.00 63.50 63.80 1dvv n PRO 63 Cb 0.43 -2.49 -0.09 0.00 -0.01 0.00 0.00 33.50 31.33 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 -1.16 2.75 -0.46 2.55 0.01 -1.14 -4.87 114.94 112.61 1dvv s ASN 64 Ca 0.77 -1.52 0.01 0.00 -0.71 0.00 0.00 52.86 51.41 1dvv s ASN 64 Cb -0.40 0.19 0.44 0.00 0.41 0.00 0.00 41.25 41.88 1dvv s ASN 64 CO 0.45 -0.75 1.90 0.00 -1.51 0.00 0.00 177.10 177.19 1dvv n ALA 65 N -0.84 5.49 -2.24 0.60 0.00 -1.26 -4.68 120.51 117.58 1dvv n ALA 65 Ca -0.05 -2.59 -0.41 0.00 0.00 0.00 0.00 53.44 50.39 1dvv n ALA 65 Cb 0.66 -1.51 -0.03 0.00 0.00 0.00 0.00 19.45 18.57 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 -3.34 3.61 1.00 0.00 -7.23 -1.26 -4.97 120.40 108.21 1dvv s VAL 66 Ca 0.49 0.48 -0.20 0.00 -1.81 0.00 0.00 61.98 60.95 1dvv s VAL 66 Cb 0.40 -4.22 -0.11 0.00 0.56 0.00 0.00 36.38 33.01 1dvv s VAL 66 CO 0.04 -1.05 -0.75 -0.24 -0.31 0.00 0.00 175.10 172.79 1dvv n SER 67 N 10.65 -4.22 0.03 4.85 2.88 -1.26 -4.16 113.62 122.38 1dvv n SER 67 Ca 0.15 0.12 -0.03 0.00 -1.33 0.00 0.00 58.87 57.78 1dvv n SER 67 Cb 0.50 -0.78 -0.02 0.00 -0.75 0.00 0.00 64.21 63.16 1dvv n SER 67 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 1dvv h ASP 68 N -1.20 -0.30 -0.09 -3.46 3.58 -1.97 0.11 116.42 113.09 1dvv h ASP 68 Ca -0.44 0.03 0.03 0.00 0.42 0.00 0.00 57.03 57.07 1dvv h ASP 68 Cb 1.33 0.11 -0.00 0.00 1.72 0.00 0.00 39.33 42.49 1dvv h ASP 68 CO 0.26 -0.11 0.50 0.44 -2.88 0.00 0.00 179.24 177.44 1dvv h ASP 69 N -0.15 0.00 -0.04 2.28 5.19 -1.99 0.41 116.42 122.11 1dvv h ASP 69 Ca -0.00 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.34 1dvv h ASP 69 Cb 0.15 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.66 1dvv h ASP 69 CO -0.05 0.00 -0.23 -0.33 -3.12 0.00 0.00 179.24 175.51 1dvv h GLU 70 N 0.00 0.22 0.00 3.56 3.07 -1.09 -2.58 114.58 117.76 1dvv h GLU 70 Ca 0.05 -0.19 0.00 0.00 -0.50 0.00 0.00 59.36 58.72 1dvv h GLU 70 Cb 1.04 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.99 1dvv h GLU 70 CO -0.00 0.86 0.00 0.00 -1.40 0.00 0.00 179.01 178.47 1dvv h ALA 71 N 0.37 1.00 -0.00 3.43 0.00 0.26 -0.89 119.26 123.42 1dvv h ALA 71 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.67 1dvv h ALA 71 Cb 0.91 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.72 1dvv h ALA 71 CO 0.05 0.00 -0.84 1.96 0.00 0.00 0.00 179.25 180.41 1dvv h GLN 72 N 0.00 0.57 0.00 0.00 4.20 -1.26 -1.10 115.11 117.53 1dvv h GLN 72 Ca 0.00 -0.62 -0.13 0.00 0.06 0.00 0.00 58.65 57.96 1dvv h GLN 72 Cb 0.46 0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 1dvv h GLN 72 CO 0.00 1.23 -0.61 1.15 -0.67 0.00 0.00 178.83 179.93 1dvv h THR 73 N 0.17 1.20 -0.11 -0.54 2.02 -1.17 -2.62 112.91 111.86 1dvv h THR 73 Ca -0.11 -2.29 -0.16 0.00 0.77 0.00 0.00 66.41 64.63 1dvv h THR 73 Cb 1.52 2.33 -0.01 0.00 -1.74 0.00 0.00 68.15 70.25 1dvv h THR 73 CO 0.17 0.60 -0.60 -0.07 0.37 0.00 0.00 175.52 175.99 1dvv h LEU 74 N 0.00 0.41 -0.01 2.58 3.38 -1.12 0.52 115.31 121.07 1dvv h LEU 74 Ca -0.01 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 1dvv h LEU 74 Cb 1.28 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 1dvv h LEU 74 CO 0.08 0.91 -0.01 0.00 0.09 0.00 0.00 178.44 179.52 1dvv h ALA 75 N 1.09 0.01 0.00 1.53 0.00 -1.08 -1.84 119.26 118.97 1dvv h ALA 75 Ca -0.01 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1dvv h ALA 75 Cb 1.12 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1dvv h ALA 75 CO 0.10 -0.22 -0.17 1.57 0.00 0.00 0.00 179.25 180.53 1dvv h LYS 76 N -0.49 0.00 -0.10 0.00 2.10 -1.48 -2.05 116.57 114.55 1dvv h LYS 76 Ca 0.00 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.51 1dvv h LYS 76 Cb 0.53 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.85 1dvv h LYS 76 CO 0.00 0.17 -0.56 2.35 -2.00 0.00 0.00 179.45 179.41 1dvv h TRP 77 N 0.00 0.37 -0.06 0.07 7.01 -0.70 -0.38 115.95 122.27 1dvv h TRP 77 Ca -0.00 -0.13 -0.03 0.00 2.11 0.00 0.00 58.89 60.84 1dvv h TRP 77 Cb 0.49 -0.07 -0.00 0.00 -2.10 0.00 0.00 29.16 27.48 1dvv h TRP 77 CO 0.00 0.79 -0.06 0.82 -2.79 0.00 0.00 178.44 177.19 1dvv h ILE 78 N 0.23 1.38 0.00 2.65 2.04 -0.61 -1.76 117.51 121.43 1dvv h ILE 78 Ca 0.00 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.64 1dvv h ILE 78 Cb 1.05 2.06 0.00 0.00 -0.74 0.00 0.00 36.82 39.19 1dvv h ILE 78 CO 0.09 0.34 0.00 -0.07 0.00 0.00 0.00 178.15 178.51 1dvv h LEU 79 N -0.29 0.00 0.00 1.44 4.07 -1.48 -2.64 115.31 116.40 1dvv h LEU 79 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.97 1dvv h LEU 79 Cb 0.57 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.31 1dvv h LEU 79 CO 0.02 0.00 -0.63 -1.20 -1.08 0.00 0.00 178.44 175.55 1dvv n SER 80 N -2.62 0.64 -0.32 -0.43 7.64 -0.16 -4.21 113.62 114.16 1dvv n SER 80 Ca 0.02 0.03 0.12 0.00 1.01 0.00 0.00 58.87 60.05 1dvv n SER 80 Cb 0.31 0.23 0.26 0.00 -1.01 0.00 0.00 64.21 63.99 1dvv n SER 80 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1dvv h GLN 81 N 0.00 0.04 0.00 1.43 7.50 -0.93 -3.50 115.11 119.64 1dvv h GLN 81 Ca 0.00 -0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1dvv h GLN 81 Cb 0.69 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.21 1dvv h GLN 81 CO 0.00 0.02 0.00 1.17 -1.50 0.00 0.00 178.83 178.52