#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1adn n LYS 2 N 0.00 0.17 -4.69 2.12 4.76 -1.26 -5.08 118.16 114.18 1adn n LYS 2 Ca 0.00 0.07 -0.24 0.00 -2.87 0.00 0.00 58.31 55.27 1adn n LYS 2 Cb 0.00 -0.70 -0.16 0.00 -1.84 0.00 0.00 35.03 32.34 1adn n LYS 2 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 1adn s LYS 3 N -1.80 1.41 0.00 1.97 0.00 -1.26 -5.13 119.74 114.94 1adn s LYS 3 Ca -0.09 -0.51 0.00 0.00 0.00 0.00 0.00 55.97 55.37 1adn s LYS 3 Cb 0.01 -1.28 0.00 0.00 0.00 0.00 0.00 37.83 36.56 1adn s LYS 3 CO 0.13 0.23 0.00 0.00 0.00 0.00 0.00 175.35 175.72 1adn n ALA 4 N 3.06 0.00 -3.59 0.59 0.00 -1.26 -4.99 120.51 114.31 1adn n ALA 4 Ca -0.17 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.23 1adn n ALA 4 Cb 0.54 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.99 1adn n ALA 4 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1adn n THR 5 N 0.00 0.00 -1.15 0.00 -2.24 -1.26 -5.10 114.28 104.53 1adn n THR 5 Ca 0.00 -0.29 -0.38 0.00 -2.27 0.00 0.00 64.05 61.11 1adn n THR 5 Cb 0.00 -0.40 0.03 0.00 -2.10 0.00 0.00 70.33 67.86 1adn n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1adn n LEU 7 N 2.60 2.22 -3.73 0.00 -0.00 -1.26 -5.06 117.00 111.76 1adn n LEU 7 Ca 0.04 0.14 -0.12 0.00 -0.00 0.00 0.00 56.01 56.07 1adn n LEU 7 Cb 0.51 -0.03 -0.07 0.00 -0.00 0.00 0.00 43.42 43.83 1adn n LEU 7 CO 0.53 -0.03 0.06 0.42 -0.00 0.00 0.00 177.39 178.37 1adn s THR 8 N -0.29 0.07 0.65 1.96 -4.23 -1.26 -5.02 115.64 107.53 1adn s THR 8 Ca 0.00 -0.61 0.27 0.00 -1.18 0.00 0.00 61.69 60.16 1adn s THR 8 Cb 0.00 -0.92 0.28 0.00 1.34 0.00 0.00 72.50 73.20 1adn s THR 8 CO 0.00 -0.34 1.81 -2.24 -0.54 0.00 0.00 174.62 173.31 1adn h ASP 9 N 3.21 0.00 -0.12 3.99 3.04 -1.99 -1.17 116.42 123.38 1adn h ASP 9 Ca -0.31 0.00 -0.21 0.00 -3.24 0.00 0.00 57.03 53.26 1adn h ASP 9 Cb 1.20 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 39.50 1adn h ASP 9 CO 0.45 0.00 -0.75 -2.24 -2.04 0.00 0.00 179.24 174.66 1adn h ASP 10 N 0.00 0.87 -0.16 4.15 3.04 -1.98 -0.35 116.42 121.98 1adn h ASP 10 Ca 0.04 -0.65 -0.00 0.00 -3.24 0.00 0.00 57.03 53.18 1adn h ASP 10 Cb 0.91 -0.26 -0.01 0.00 -1.04 0.00 0.00 39.33 38.94 1adn h ASP 10 CO -0.00 1.38 0.09 -0.61 -2.04 0.00 0.00 179.24 178.06 1adn h GLN 11 N 0.42 0.23 0.00 4.15 4.15 -1.64 0.37 115.11 122.79 1adn h GLN 11 Ca -0.06 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.33 1adn h GLN 11 Cb 1.39 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 29.03 1adn h GLN 11 CO 0.15 0.23 0.00 0.54 -1.93 0.00 0.00 178.83 177.83 1adn n ARG 12 N -4.92 0.00 0.22 1.69 3.00 -0.93 -0.48 116.66 115.24 1adn n ARG 12 Ca -0.04 0.79 0.09 0.00 -0.01 0.00 0.00 57.85 58.68 1adn n ARG 12 Cb 0.07 -1.33 0.51 0.00 0.00 0.00 0.00 32.46 31.71 1adn n ARG 12 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.63 179.98 1adn h TRP 13 N 0.00 0.00 -0.92 -1.55 2.91 -1.09 0.22 115.95 115.52 1adn h TRP 13 Ca 0.00 0.00 0.06 0.00 1.13 0.00 0.00 58.89 60.08 1adn h TRP 13 Cb 0.00 0.00 -0.06 0.00 -0.51 0.00 0.00 29.16 28.59 1adn h TRP 13 CO -0.56 0.24 0.58 0.37 -1.03 0.00 0.00 178.44 178.04 1adn h GLN 14 N 0.00 1.02 -1.01 2.65 4.15 -0.10 0.40 115.11 122.22 1adn h GLN 14 Ca -0.00 -0.06 0.24 0.00 0.77 0.00 0.00 58.65 59.59 1adn h GLN 14 Cb 0.63 -0.23 -0.11 0.00 0.21 0.00 0.00 27.48 27.98 1adn h GLN 14 CO 0.03 0.68 0.63 1.03 -1.93 0.00 0.00 178.83 179.27 1adn h SER 15 N 1.05 0.60 0.55 -0.69 0.87 0.21 -0.97 113.55 115.18 1adn h SER 15 Ca 0.40 0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 61.03 1adn h SER 15 Cb 0.18 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.15 1adn h SER 15 CO -0.18 0.14 -0.27 0.58 -0.53 0.00 0.00 176.83 176.58 1adn h VAL 16 N 0.54 0.32 -0.86 2.23 2.07 -0.11 -3.27 116.25 117.17 1adn h VAL 16 Ca 0.60 -0.35 0.22 0.00 0.82 0.00 0.00 66.70 67.99 1adn h VAL 16 Cb 1.26 0.43 -0.15 0.00 -1.52 0.00 0.00 31.29 31.31 1adn h VAL 16 CO -0.37 0.04 0.11 -0.07 0.02 0.00 0.00 177.57 177.30 1adn h LEU 17 N -1.01 -0.23 0.00 2.57 3.38 0.27 -3.27 115.31 117.03 1adn h LEU 17 Ca -0.08 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1adn h LEU 17 Cb 0.64 0.34 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1adn h LEU 17 CO 0.13 -0.21 0.00 0.00 0.09 0.00 0.00 178.44 178.45 1adn n ALA 18 N -2.88 0.00 0.00 1.53 0.00 -0.45 -5.09 120.51 113.62 1adn n ALA 18 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1adn n ALA 18 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1adn n ALA 18 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1adn n ARG 19 N 0.00 0.00 -2.31 0.00 0.63 -1.23 -5.09 116.66 108.66 1adn n ARG 19 Ca 0.00 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.57 1adn n ARG 19 Cb 0.00 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 32.90 1adn n ARG 19 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1adn s ASP 20 N -4.00 6.02 -0.61 6.15 -1.08 -1.26 -4.01 116.67 117.87 1adn s ASP 20 Ca 0.00 2.18 -0.32 0.00 -0.52 0.00 0.00 52.55 53.89 1adn s ASP 20 Cb 0.00 -2.59 -0.14 0.00 -1.46 0.00 0.00 42.92 38.73 1adn s ASP 20 CO 0.00 -1.02 2.41 -0.81 0.52 0.00 0.00 175.17 176.28 1adn n PRO 21 N -0.90 0.62 -0.08 4.34 -0.04 -1.26 -4.91 135.00 132.77 1adn n PRO 21 Ca 0.09 0.09 -0.11 0.00 -0.04 0.00 0.00 63.50 63.54 1adn n PRO 21 Cb 0.50 -2.32 -0.06 0.00 -0.04 0.00 0.00 33.50 31.59 1adn n PRO 21 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1adn h ASN 22 N 13.84 0.00 0.00 3.54 -1.24 -1.93 -3.44 115.58 126.35 1adn h ASN 22 Ca -0.18 -0.24 0.00 0.00 0.71 0.00 0.00 56.30 56.59 1adn h ASN 22 Cb 1.31 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.36 1adn h ASN 22 CO 1.18 0.99 0.00 0.00 -1.29 0.00 0.00 177.43 178.31 1adn n ALA 23 N -3.38 0.00 -2.79 1.57 0.00 -1.26 -4.92 120.51 109.72 1adn n ALA 23 Ca -0.15 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.86 1adn n ALA 23 Cb 0.39 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.80 1adn n ALA 23 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1adn s ASP 24 N -1.00 6.26 0.53 0.00 1.01 -1.26 -4.91 116.67 117.29 1adn s ASP 24 Ca 0.00 -1.07 0.22 0.00 0.71 0.00 0.00 52.55 52.41 1adn s ASP 24 Cb 0.00 -2.45 1.22 0.00 1.01 0.00 0.00 42.92 42.70 1adn s ASP 24 CO 0.00 -1.47 1.65 1.23 0.21 0.00 0.00 175.17 176.79 1adn h GLY 25 N 11.62 0.00 0.00 0.21 0.00 -1.91 -1.40 103.07 111.59 1adn h GLY 25 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1adn h GLY 25 CO 1.21 0.00 0.00 -2.21 0.00 0.00 0.00 176.54 175.54 1adn n GLU 26 N -2.54 0.33 -2.16 4.80 2.13 -1.26 -4.86 120.64 117.08 1adn n GLU 26 Ca -0.01 -0.72 -0.34 0.00 0.66 0.00 0.00 57.16 56.74 1adn n GLU 26 Cb 0.37 -0.90 0.01 0.00 0.27 0.00 0.00 31.44 31.18 1adn n GLU 26 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 1adn s PHE 27 N -0.28 2.72 0.15 4.31 -0.71 -0.53 -4.50 117.98 119.13 1adn s PHE 27 Ca 0.00 1.55 0.10 0.00 -1.04 0.00 0.00 56.93 57.53 1adn s PHE 27 Cb 0.00 -3.22 -0.04 0.00 -1.21 0.00 0.00 43.02 38.55 1adn s PHE 27 CO 0.00 -1.49 -0.22 0.14 -1.34 0.00 0.00 175.22 172.31 1adn s VAL 28 N -1.97 2.04 -0.03 -2.49 -7.23 0.47 -4.12 120.40 107.06 1adn s VAL 28 Ca 0.70 -1.82 0.01 0.00 -1.81 0.00 0.00 61.98 59.06 1adn s VAL 28 Cb -0.22 -1.88 0.01 0.00 0.56 0.00 0.00 36.38 34.85 1adn s VAL 28 CO 0.30 -0.10 -0.04 0.72 -0.31 0.00 0.00 175.10 175.66 1adn s PHE 29 N -1.50 0.63 -0.36 2.82 -0.12 -0.05 -0.25 117.98 119.17 1adn s PHE 29 Ca 0.14 -0.15 0.03 0.00 -0.05 0.00 0.00 56.93 56.91 1adn s PHE 29 Cb -0.08 -0.54 0.10 0.00 -0.63 0.00 0.00 43.02 41.87 1adn s PHE 29 CO 0.07 -0.13 0.08 0.00 -0.05 0.00 0.00 175.22 175.19 1adn s ALA 30 N 0.60 2.95 -0.44 1.99 0.00 0.28 -0.85 121.76 126.29 1adn s ALA 30 Ca -0.08 -2.58 -0.21 0.00 0.00 0.00 0.00 51.96 49.10 1adn s ALA 30 Cb -0.11 -2.03 0.02 0.00 0.00 0.00 0.00 23.12 21.01 1adn s ALA 30 CO -0.00 -1.72 0.68 0.54 0.00 0.00 0.00 175.76 175.26 1adn s VAL 31 N 0.87 4.79 -1.01 0.00 0.11 -0.90 0.47 120.40 124.73 1adn s VAL 31 Ca 0.11 0.21 0.02 0.00 -2.93 0.00 0.00 61.98 59.39 1adn s VAL 31 Cb -0.20 -4.23 0.09 0.00 -1.53 0.00 0.00 36.38 30.51 1adn s VAL 31 CO -0.07 -0.61 0.67 -1.14 -3.33 0.00 0.00 175.10 170.61 1adn n ARG 32 N 6.36 1.40 -0.11 1.54 3.00 -1.09 -2.26 116.66 125.49 1adn n ARG 32 Ca -0.01 -0.33 -0.13 0.00 -0.00 0.00 0.00 57.85 57.38 1adn n ARG 32 Cb 0.48 -1.54 -0.14 0.00 0.00 0.00 0.00 32.46 31.26 1adn n ARG 32 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 1adn n THR 33 N 0.04 1.41 1.09 5.15 5.66 -1.26 -4.31 114.28 122.06 1adn n THR 33 Ca 0.03 -0.75 0.12 0.00 -3.05 0.00 0.00 64.05 60.40 1adn n THR 33 Cb 0.33 -0.81 0.14 0.00 -1.55 0.00 0.00 70.33 68.44 1adn n THR 33 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1adn n THR 34 N -2.92 0.00 -3.60 1.09 -1.04 -1.17 -5.01 114.28 101.63 1adn n THR 34 Ca -0.37 -0.28 -0.23 0.00 -2.04 0.00 0.00 64.05 61.13 1adn n THR 34 Cb 1.09 1.07 0.08 0.00 -1.82 0.00 0.00 70.33 70.74 1adn n THR 34 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1adn n GLY 35 N 1.37 -0.50 3.02 3.41 0.00 -0.96 -5.04 105.19 106.49 1adn n GLY 35 Ca 0.12 0.22 -0.24 0.00 0.00 0.00 0.00 46.02 46.11 1adn n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1adn s ILE 36 N -3.34 1.08 -0.36 -0.61 -4.36 -1.16 -4.25 121.20 108.20 1adn s ILE 36 Ca 0.46 -0.45 -0.08 0.00 -0.26 0.00 0.00 60.65 60.32 1adn s ILE 36 Cb -0.21 -0.99 0.04 0.00 1.25 0.00 0.00 42.46 42.56 1adn s ILE 36 CO 0.74 0.34 0.15 0.72 0.24 0.00 0.00 174.94 177.13 1adn s PHE 37 N 0.63 3.27 0.11 1.37 -0.12 0.57 -2.11 117.98 121.69 1adn s PHE 37 Ca -0.13 -1.32 -0.01 0.00 -0.05 0.00 0.00 56.93 55.42 1adn s PHE 37 Cb -0.15 -2.40 -0.04 0.00 -0.63 0.00 0.00 43.02 39.79 1adn s PHE 37 CO 0.03 -0.72 0.02 0.00 -0.05 0.00 0.00 175.22 174.50 1adn s ARG 39 N -3.99 4.58 0.00 0.00 3.52 -1.09 -0.87 118.95 121.10 1adn s ARG 39 Ca 0.19 1.73 0.00 0.00 -0.13 0.00 0.00 55.73 57.52 1adn s ARG 39 Cb 0.07 -3.09 0.00 0.00 -1.56 0.00 0.00 34.95 30.38 1adn s ARG 39 CO -0.02 0.18 0.00 -2.30 -0.81 0.00 0.00 175.30 172.35 1adn n PRO 40 N 1.00 0.00 -1.48 5.12 -0.02 -1.26 -3.85 135.00 134.51 1adn n PRO 40 Ca -0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.13 1adn n PRO 40 Cb 0.46 0.00 0.06 0.00 -0.02 0.00 0.00 33.50 34.00 1adn n PRO 40 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1adn n SER 41 N -1.57 7.53 -4.57 2.55 2.88 -1.26 -4.72 113.62 114.46 1adn n SER 41 Ca 0.00 -3.73 -0.40 0.00 -1.33 0.00 0.00 58.87 53.41 1adn n SER 41 Cb 0.00 -1.02 -0.03 0.00 -0.75 0.00 0.00 64.21 62.41 1adn n SER 41 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1adn h ARG 43 N 13.17 0.00 -5.72 0.00 3.08 -1.92 -3.43 114.38 119.57 1adn h ARG 43 Ca -0.28 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.16 1adn h ARG 43 Cb 1.14 0.00 0.13 0.00 0.08 0.00 0.00 29.97 31.32 1adn h ARG 43 CO 1.18 0.75 -0.72 0.00 -1.07 0.00 0.00 179.97 180.11 1adn n ALA 44 N -2.74 -2.86 -1.47 0.04 0.00 -1.26 -4.35 120.51 107.87 1adn n ALA 44 Ca -0.10 0.25 -0.33 0.00 0.00 0.00 0.00 53.44 53.27 1adn n ALA 44 Cb 0.38 -1.46 -0.18 0.00 0.00 0.00 0.00 19.45 18.19 1adn n ALA 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1adn n ARG 45 N 1.13 0.00 -3.64 0.00 5.12 -1.26 -4.86 116.66 113.15 1adn n ARG 45 Ca 0.14 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.69 1adn n ARG 45 Cb 0.32 -1.27 -0.06 0.00 -1.16 0.00 0.00 32.46 30.28 1adn n ARG 45 CO 0.00 0.00 0.00 -3.38 -1.93 0.00 0.00 177.63 172.32 1adn s HIS 46 N 5.27 3.58 1.05 -1.55 -3.43 -1.26 -5.10 115.29 113.85 1adn s HIS 46 Ca 1.32 0.68 -0.19 0.00 -0.80 0.00 0.00 55.06 56.07 1adn s HIS 46 Cb -1.07 -2.20 0.06 0.00 -1.43 0.00 0.00 32.58 27.94 1adn s HIS 46 CO 0.51 0.51 -0.23 0.00 -2.00 0.00 0.00 174.74 173.53 1adn n ALA 47 N 2.58 -3.39 -1.54 -1.38 0.00 -1.26 -5.03 120.51 110.49 1adn n ALA 47 Ca -0.15 -1.22 -0.06 0.00 0.00 0.00 0.00 53.44 52.01 1adn n ALA 47 Cb 0.53 -1.16 0.05 0.00 0.00 0.00 0.00 19.45 18.86 1adn n ALA 47 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1adn n LEU 48 N -0.45 0.00 -1.02 0.00 -0.00 -1.26 -4.97 117.00 109.30 1adn n LEU 48 Ca 0.01 -0.43 0.03 0.00 -0.00 0.00 0.00 56.01 55.62 1adn n LEU 48 Cb 0.57 -0.24 0.17 0.00 -0.00 0.00 0.00 43.42 43.91 1adn n LEU 48 CO 0.42 -0.72 0.53 -1.14 -0.00 0.00 0.00 177.39 176.48 1adn n ARG 49 N -1.68 2.53 0.09 1.47 0.63 -1.26 -4.35 116.66 114.09 1adn n ARG 49 Ca 0.04 -1.31 0.05 0.00 -0.92 0.00 0.00 57.85 55.72 1adn n ARG 49 Cb 0.15 -1.74 -0.01 0.00 0.45 0.00 0.00 32.46 31.31 1adn n ARG 49 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 1adn h GLU 50 N 1.72 0.00 0.00 -0.14 -0.00 -2.01 -3.36 114.58 110.79 1adn h GLU 50 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 59.36 59.28 1adn h GLU 50 Cb 1.03 0.00 -0.16 0.00 -0.00 0.00 0.00 28.75 29.61 1adn h GLU 50 CO 0.18 0.20 -0.70 0.27 -0.00 0.00 0.00 179.01 178.97 1adn n ASN 51 N -2.91 0.68 -4.88 3.06 2.04 -1.26 -5.12 115.26 106.87 1adn n ASN 51 Ca -0.03 -2.19 -0.36 0.00 -0.44 0.00 0.00 54.58 51.56 1adn n ASN 51 Cb 0.70 -0.28 -0.06 0.00 -2.53 0.00 0.00 39.78 37.61 1adn n ASN 51 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1adn s VAL 52 N -0.39 5.43 -0.10 3.53 0.11 -1.26 -2.68 120.40 125.04 1adn s VAL 52 Ca 0.19 0.16 0.01 0.00 -2.93 0.00 0.00 61.98 59.41 1adn s VAL 52 Cb 0.21 -3.48 0.02 0.00 -1.53 0.00 0.00 36.38 31.59 1adn s VAL 52 CO -0.07 0.51 -0.11 -0.55 -3.33 0.00 0.00 175.10 171.54 1adn s SER 53 N -1.35 2.15 0.06 3.54 0.15 0.18 -4.85 113.70 113.58 1adn s SER 53 Ca 0.20 -0.35 0.01 0.00 0.70 0.00 0.00 55.95 56.52 1adn s SER 53 Cb -0.13 -0.92 -0.04 0.00 -1.71 0.00 0.00 66.02 63.22 1adn s SER 53 CO 0.10 -0.03 0.16 -0.36 1.20 0.00 0.00 173.24 174.31 1adn s PHE 54 N 1.18 3.39 0.11 3.44 0.08 -1.26 0.99 117.98 125.91 1adn s PHE 54 Ca -0.04 0.19 -0.05 0.00 0.12 0.00 0.00 56.93 57.14 1adn s PHE 54 Cb -0.14 -1.71 -0.02 0.00 -0.57 0.00 0.00 43.02 40.58 1adn s PHE 54 CO -0.03 0.56 0.14 0.71 -0.10 0.00 0.00 175.22 176.51 1adn s TYR 55 N -1.45 0.47 0.09 0.36 1.51 0.66 -4.97 117.35 114.01 1adn s TYR 55 Ca 0.32 -0.89 -0.14 0.00 -1.01 0.00 0.00 57.07 55.35 1adn s TYR 55 Cb -0.13 -0.23 -0.14 0.00 -0.11 0.00 0.00 41.96 41.35 1adn s TYR 55 CO 0.25 -0.56 1.31 0.00 -1.11 0.00 0.00 175.55 175.45 1adn h ALA 56 N 2.80 0.32 -3.13 3.71 0.00 -1.90 0.13 119.26 121.19 1adn h ALA 56 Ca -0.34 -0.53 -0.37 0.00 0.00 0.00 0.00 54.91 53.67 1adn h ALA 56 Cb 1.20 -0.03 -0.20 0.00 0.00 0.00 0.00 17.79 18.75 1adn h ALA 56 CO 0.57 0.57 -0.76 1.21 0.00 0.00 0.00 179.25 180.83 1adn s ASN 57 N -6.89 1.55 0.21 0.00 3.84 -1.26 -3.28 114.94 109.11 1adn s ASN 57 Ca -0.11 -0.69 0.21 0.00 0.21 0.00 0.00 52.86 52.48 1adn s ASN 57 Cb 0.08 -0.03 0.91 0.00 -0.55 0.00 0.00 41.25 41.66 1adn s ASN 57 CO 0.87 -0.15 1.64 0.00 -2.79 0.00 0.00 177.10 176.67 1adn n ALA 58 N 1.01 1.55 0.27 1.71 0.00 -1.26 -2.28 120.51 121.50 1adn n ALA 58 Ca -0.19 0.08 0.10 0.00 0.00 0.00 0.00 53.44 53.42 1adn n ALA 58 Cb 0.56 -1.34 0.71 0.00 0.00 0.00 0.00 19.45 19.38 1adn n ALA 58 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1adn h SER 59 N 0.00 0.00 0.26 0.00 0.87 -1.98 0.28 113.55 112.98 1adn h SER 59 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1adn h SER 59 Cb 0.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1adn h SER 59 CO 0.00 0.03 -0.13 -0.08 -0.53 0.00 0.00 176.83 176.12 1adn h GLU 60 N 0.00 -0.34 -0.38 2.24 4.57 -1.87 0.45 114.58 119.24 1adn h GLU 60 Ca -0.00 0.02 0.11 0.00 -1.18 0.00 0.00 59.36 58.31 1adn h GLU 60 Cb 0.05 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 1adn h GLU 60 CO 0.00 -0.23 0.52 0.00 -1.18 0.00 0.00 179.01 178.13 1adn h ALA 61 N -1.55 2.05 0.01 2.92 0.00 -1.64 1.04 119.26 122.08 1adn h ALA 61 Ca -0.04 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1adn h ALA 61 Cb 0.27 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1adn h ALA 61 CO 0.06 -0.72 -0.18 1.25 0.00 0.00 0.00 179.25 179.66 1adn h LEU 62 N 0.00 0.15 -1.69 0.00 7.12 -0.53 -2.25 115.31 118.11 1adn h LEU 62 Ca 0.18 -0.82 0.08 0.00 0.13 0.00 0.00 57.88 57.45 1adn h LEU 62 Cb 1.22 -0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 41.29 1adn h LEU 62 CO -0.00 0.95 0.53 0.00 -0.13 0.00 0.00 178.44 179.80 1adn h ALA 63 N 0.20 1.87 -0.19 1.25 0.00 0.22 1.44 119.26 124.04 1adn h ALA 63 Ca -0.03 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1adn h ALA 63 Cb 0.99 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1adn h ALA 63 CO 0.04 -0.67 -0.42 0.00 0.00 0.00 0.00 179.25 178.19 1adn h ALA 64 N 1.18 0.31 0.00 0.00 0.00 0.93 -3.49 119.26 118.19 1adn h ALA 64 Ca 0.13 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1adn h ALA 64 Cb 1.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1adn h ALA 64 CO -0.00 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.09 1adn n GLY 65 N 0.44 1.33 1.05 0.00 0.00 0.49 -5.09 105.19 103.41 1adn n GLY 65 Ca -0.06 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.90 1adn n GLY 65 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1adn n PHE 66 N -0.21 -1.83 -3.20 1.61 7.35 -0.89 -5.04 117.46 115.26 1adn n PHE 66 Ca 0.00 -0.61 -0.45 0.00 -0.76 0.00 0.00 57.45 55.63 1adn n PHE 66 Cb 0.00 -0.13 -0.06 0.00 0.35 0.00 0.00 39.48 39.64 1adn n PHE 66 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 1adn s ARG 67 N -2.65 3.05 -0.65 -4.13 3.00 -1.26 -4.83 118.95 111.47 1adn s ARG 67 Ca 0.11 -1.25 -0.26 0.00 -1.00 0.00 0.00 55.73 53.33 1adn s ARG 67 Cb -0.01 -4.20 -0.08 0.00 0.00 0.00 0.00 34.95 30.66 1adn s ARG 67 CO 0.07 -1.34 2.26 -2.14 0.00 0.00 0.00 175.30 174.15 1adn s PRO 68 N 2.35 2.09 -0.35 5.12 0.02 -1.24 -0.32 135.00 142.67 1adn s PRO 68 Ca 0.10 0.78 -0.14 0.00 0.02 0.00 0.00 61.00 61.76 1adn s PRO 68 Cb -0.24 -4.67 -0.01 0.00 0.02 0.00 0.00 34.50 29.60 1adn s PRO 68 CO 0.07 -3.56 0.27 0.00 -0.33 0.00 0.00 177.00 173.46 1adn n LYS 70 N 5.18 1.41 -2.68 0.00 5.02 -1.26 -2.66 118.16 123.17 1adn n LYS 70 Ca -0.12 -2.97 -0.02 0.00 -2.02 0.00 0.00 58.31 53.18 1adn n LYS 70 Cb 0.49 -1.52 0.12 0.00 -0.02 0.00 0.00 35.03 34.11 1adn n LYS 70 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1adn n ARG 71 N -1.19 1.38 -1.01 1.97 3.00 -1.26 -5.01 116.66 114.54 1adn n ARG 71 Ca 0.17 -1.40 0.00 0.00 -0.01 0.00 0.00 57.85 56.62 1adn n ARG 71 Cb 0.68 0.27 0.00 0.00 0.00 0.00 0.00 32.46 33.41 1adn n ARG 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1adn n GLN 73 N -0.31 0.07 -0.94 0.00 7.27 -1.26 -4.88 117.38 117.33 1adn n GLN 73 Ca 0.00 -0.01 -0.29 0.00 0.07 0.00 0.00 57.00 56.78 1adn n GLN 73 Cb 0.00 -1.59 0.20 0.00 2.41 0.00 0.00 30.24 31.26 1adn n GLN 73 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 1adn s PRO 74 N 8.80 -0.08 0.00 3.69 0.02 -1.26 -5.10 135.00 141.07 1adn s PRO 74 Ca 1.33 0.64 0.00 0.00 0.02 0.00 0.00 61.00 62.99 1adn s PRO 74 Cb -1.15 -1.67 0.00 0.00 0.02 0.00 0.00 34.50 31.70 1adn s PRO 74 CO 0.48 -3.11 0.00 -3.47 -0.33 0.00 0.00 177.00 170.57 1adn n ASP 75 N -4.46 0.00 -4.04 2.53 -0.08 -1.26 -5.13 116.55 104.12 1adn n ASP 75 Ca 0.04 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 53.02 1adn n ASP 75 Cb 0.56 0.00 -0.16 0.00 2.34 0.00 0.00 41.12 43.86 1adn n ASP 75 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1adn s LYS 76 N 0.00 2.41 0.00 -0.67 -0.14 -1.26 -4.96 119.74 115.12 1adn s LYS 76 Ca 0.00 -0.67 0.00 0.00 -1.36 0.00 0.00 55.97 53.94 1adn s LYS 76 Cb 0.00 -2.26 0.00 0.00 -1.68 0.00 0.00 37.83 33.89 1adn s LYS 76 CO 0.00 -0.26 0.00 0.00 -0.76 0.00 0.00 175.35 174.33 1adn n ALA 77 N 4.72 -0.02 -2.99 5.17 0.00 -1.26 -0.41 120.51 125.72 1adn n ALA 77 Ca -0.17 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.17 1adn n ALA 77 Cb 0.49 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.95 1adn n ALA 77 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1adn n ASN 78 N 0.01 -7.29 -0.10 0.00 2.85 -1.26 -4.52 115.26 104.95 1adn n ASN 78 Ca 0.00 0.69 -0.08 0.00 -0.11 0.00 0.00 54.58 55.08 1adn n ASN 78 Cb 0.00 -3.98 0.00 0.00 1.24 0.00 0.00 39.78 37.04 1adn n ASN 78 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1adn h PRO 79 N 2.67 0.38 0.46 1.20 0.13 -1.01 -2.24 132.00 133.60 1adn h PRO 79 Ca -0.10 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.98 1adn h PRO 79 Cb 0.75 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1adn h PRO 79 CO 0.13 0.25 -0.22 0.00 -0.23 0.00 0.00 178.00 177.94 1adn h ARG 80 N 0.39 -0.59 0.00 0.86 3.08 -1.93 -3.40 114.38 112.79 1adn h ARG 80 Ca 0.14 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1adn h ARG 80 Cb 0.03 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1adn h ARG 80 CO -0.08 -0.39 0.00 1.04 -1.07 0.00 0.00 179.97 179.47 1adn n GLN 81 N -3.82 0.00 -0.35 0.04 1.13 -1.24 -4.88 117.38 108.27 1adn n GLN 81 Ca -0.08 0.13 -0.04 0.00 -1.94 0.00 0.00 57.00 55.07 1adn n GLN 81 Cb 0.24 -0.70 0.03 0.00 0.11 0.00 0.00 30.24 29.92 1adn n GLN 81 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1adn n HIS 82 N -0.33 -3.94 0.00 1.08 8.25 -0.84 -5.07 115.22 114.37 1adn n HIS 82 Ca 0.00 -0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 1adn n HIS 82 Cb 0.00 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 30.96 1adn n HIS 82 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1adn n ARG 83 N -1.42 0.00 -2.93 -0.41 0.63 -1.26 -4.67 116.66 106.60 1adn n ARG 83 Ca 0.03 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.95 1adn n ARG 83 Cb 0.09 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 32.99 1adn n ARG 83 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1adn n LEU 84 N 0.00 -5.78 -0.01 6.15 7.99 -1.26 -4.96 117.00 119.14 1adn n LEU 84 Ca 0.00 1.08 -0.15 0.00 -0.01 0.00 0.00 56.01 56.93 1adn n LEU 84 Cb 0.00 -2.48 -0.04 0.00 -0.11 0.00 0.00 43.42 40.79 1adn n LEU 84 CO 0.00 -2.56 0.31 -0.78 -1.51 0.00 0.00 177.39 172.84 1adn h ASP 85 N 3.57 0.83 -2.21 -1.43 1.82 -2.04 -3.47 116.42 113.49 1adn h ASP 85 Ca -0.06 -0.53 0.00 0.00 -0.39 0.00 0.00 57.03 56.05 1adn h ASP 85 Cb 0.53 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.29 1adn h ASP 85 CO 0.04 1.31 0.00 0.29 -1.61 0.00 0.00 179.24 179.28 1adn n LYS 86 N -3.92 2.79 -1.15 0.28 5.02 -1.26 -5.10 118.16 114.83 1adn n LYS 86 Ca -0.06 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.25 1adn n LYS 86 Cb 0.72 0.00 0.12 0.00 -0.02 0.00 0.00 35.03 35.86 1adn n LYS 86 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1adn n ILE 87 N -0.06 1.49 -3.22 -0.18 -0.00 -1.26 -4.90 119.36 111.23 1adn n ILE 87 Ca 0.00 -2.61 -0.33 0.00 -0.00 0.00 0.00 62.75 59.81 1adn n ILE 87 Cb 0.00 0.16 -0.04 0.00 -0.00 0.00 0.00 39.64 39.75 1adn n ILE 87 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.55 176.96 1adn n THR 88 N -0.54 3.59 -3.78 7.28 -1.04 -1.26 -5.01 114.28 113.51 1adn n THR 88 Ca 0.17 -5.53 -0.26 0.00 -2.04 0.00 0.00 64.05 56.39 1adn n THR 88 Cb 0.87 -2.03 -0.17 0.00 -1.82 0.00 0.00 70.33 67.18 1adn n THR 88 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 1adn s HIS 89 N -2.73 1.07 0.00 -1.42 5.65 -1.26 -4.98 115.29 111.62 1adn s HIS 89 Ca 0.37 -0.69 0.00 0.00 0.25 0.00 0.00 55.06 55.00 1adn s HIS 89 Cb 0.12 -1.02 0.00 0.00 -1.18 0.00 0.00 32.58 30.50 1adn s HIS 89 CO 0.02 -0.52 0.00 0.00 -0.65 0.00 0.00 174.74 173.59 1adn n ALA 90 N 5.04 2.03 -3.69 1.58 0.00 -1.26 -5.17 120.51 119.04 1adn n ALA 90 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1adn n ALA 90 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1adn n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50