#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 0.02 -1.55 3.17 4.81 -1.26 -4.98 118.16 118.37 1adn n LYS 2 Ca 0.00 0.01 -0.37 0.00 -0.87 0.00 0.00 58.31 57.08 1adn n LYS 2 Cb 0.00 -0.53 -0.04 0.00 0.02 0.00 0.00 35.03 34.48 1adn n LYS 2 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1adn n LYS 3 N -3.27 1.08 -2.28 1.64 3.00 -1.26 -4.92 118.16 112.14 1adn n LYS 3 Ca -0.01 0.05 -0.43 0.00 -0.00 0.00 0.00 58.31 57.92 1adn n LYS 3 Cb 0.28 -3.33 -0.02 0.00 0.00 0.00 0.00 35.03 31.96 1adn n LYS 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1adn s ALA 4 N 11.68 3.58 0.00 3.14 0.00 -1.26 -4.86 121.76 134.04 1adn s ALA 4 Ca 1.00 0.55 0.00 0.00 0.00 0.00 0.00 51.96 53.52 1adn s ALA 4 Cb -0.25 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.18 1adn s ALA 4 CO 0.28 -1.37 0.00 0.25 0.00 0.00 0.00 175.76 174.92 1adn n THR 5 N 5.59 0.00 0.00 0.00 -2.24 -1.26 -5.02 114.28 111.34 1adn n THR 5 Ca 0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 1adn n THR 5 Cb 0.44 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 1adn n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1adn s LEU 7 N 0.00 4.04 0.00 0.00 2.34 -1.26 -4.57 118.68 119.23 1adn s LEU 7 Ca 0.00 -0.86 0.00 0.00 0.06 0.00 0.00 54.13 53.33 1adn s LEU 7 Cb 0.00 -2.46 0.00 0.00 -0.56 0.00 0.00 46.19 43.17 1adn s LEU 7 CO 0.00 -1.55 0.00 0.35 -1.06 0.00 0.00 176.35 174.09 1adn n THR 8 N 6.06 0.00 0.04 5.48 -2.24 -1.26 -4.86 114.28 117.49 1adn n THR 8 Ca -0.01 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.62 1adn n THR 8 Cb 0.47 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.64 1adn n THR 8 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1adn h ASP 9 N 0.00 0.72 0.00 3.42 1.82 -1.94 -2.69 116.42 117.75 1adn h ASP 9 Ca 0.00 -0.53 0.00 0.00 -0.39 0.00 0.00 57.03 56.11 1adn h ASP 9 Cb 0.00 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 39.79 1adn h ASP 9 CO 0.00 1.32 0.00 -0.67 -1.61 0.00 0.00 179.24 178.28 1adn n ASP 10 N -3.84 0.00 -0.31 2.28 -0.08 -1.26 -1.62 116.55 111.71 1adn n ASP 10 Ca -0.07 0.75 0.17 0.00 -1.51 0.00 0.00 54.79 54.12 1adn n ASP 10 Cb 0.80 -0.25 0.36 0.00 2.34 0.00 0.00 41.12 44.37 1adn n ASP 10 CO 0.00 0.00 0.00 0.06 0.12 0.00 0.00 177.20 177.38 1adn h GLN 11 N 0.00 0.28 0.00 -0.67 3.07 -1.87 0.20 115.11 116.12 1adn h GLN 11 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.72 1adn h GLN 11 Cb 0.00 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 27.50 1adn h GLN 11 CO 0.00 0.18 0.00 0.54 0.09 0.00 0.00 178.83 179.64 1adn n ARG 12 N -5.13 0.00 0.23 0.06 1.74 -1.01 0.15 116.66 112.69 1adn n ARG 12 Ca 0.25 0.20 0.09 0.00 -0.77 0.00 0.00 57.85 57.62 1adn n ARG 12 Cb 0.79 -1.07 0.54 0.00 -1.02 0.00 0.00 32.46 31.70 1adn n ARG 12 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 1adn h TRP 13 N 0.00 0.00 -0.85 -1.55 2.91 -1.20 0.34 115.95 115.59 1adn h TRP 13 Ca 0.00 0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.05 1adn h TRP 13 Cb 0.00 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 28.60 1adn h TRP 13 CO -0.01 0.23 0.55 0.37 -1.03 0.00 0.00 178.44 178.55 1adn h GLN 14 N 0.00 1.04 -1.08 2.65 4.15 -0.68 0.33 115.11 121.52 1adn h GLN 14 Ca -0.00 -0.06 0.33 0.00 0.77 0.00 0.00 58.65 59.68 1adn h GLN 14 Cb 0.58 -0.23 -0.13 0.00 0.21 0.00 0.00 27.48 27.91 1adn h GLN 14 CO 0.03 0.69 0.65 1.03 -1.93 0.00 0.00 178.83 179.30 1adn h SER 15 N 1.07 0.46 0.38 -0.69 0.87 0.38 0.63 113.55 116.65 1adn h SER 15 Ca 0.34 0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 61.03 1adn h SER 15 Cb 0.01 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1adn h SER 15 CO -0.12 -0.07 -0.18 0.58 -0.53 0.00 0.00 176.83 176.51 1adn h VAL 16 N 0.32 0.49 -0.91 2.23 2.07 -0.26 -3.36 116.25 116.83 1adn h VAL 16 Ca 0.71 -0.61 0.26 0.00 0.82 0.00 0.00 66.70 67.88 1adn h VAL 16 Cb 1.78 0.73 -0.15 0.00 -1.52 0.00 0.00 31.29 32.13 1adn h VAL 16 CO -0.49 0.09 0.24 -0.07 0.02 0.00 0.00 177.57 177.37 1adn h LEU 17 N -0.92 -0.03 0.00 2.57 3.38 0.13 -3.26 115.31 117.19 1adn h LEU 17 Ca -0.05 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1adn h LEU 17 Cb 0.54 0.30 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1adn h LEU 17 CO 0.09 -0.21 0.00 0.00 0.09 0.00 0.00 178.44 178.41 1adn n ALA 18 N -2.72 0.00 0.00 1.53 0.00 0.02 -5.09 120.51 114.25 1adn n ALA 18 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1adn n ALA 18 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.20 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 -2.82 0.00 0.63 -1.23 -5.13 116.66 108.10 1adn n ARG 19 Ca 0.00 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.60 1adn n ARG 19 Cb 0.00 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.85 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 6.84 -0.03 6.15 -1.08 -1.26 -4.84 116.67 118.46 1adn s ASP 20 Ca 0.00 1.57 -0.00 0.00 -0.52 0.00 0.00 52.55 53.60 1adn s ASP 20 Cb 0.00 -2.49 -0.01 0.00 -1.46 0.00 0.00 42.92 38.96 1adn s ASP 20 CO 0.00 -0.36 0.46 -2.65 0.52 0.00 0.00 175.17 173.13 1adn n PRO 21 N -0.75 0.00 0.10 4.34 -0.02 -1.26 -4.77 135.00 132.64 1adn n PRO 21 Ca 0.06 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.30 1adn n PRO 21 Cb 0.54 -0.42 -0.15 0.00 -0.02 0.00 0.00 33.50 33.44 1adn n PRO 21 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 1adn h ASN 22 N 3.88 0.71 0.00 2.55 -1.24 -1.90 -3.43 115.58 116.16 1adn h ASN 22 Ca 0.00 -0.93 -0.03 0.00 0.71 0.00 0.00 56.30 56.06 1adn h ASN 22 Cb 0.43 -0.23 -0.04 0.00 0.73 0.00 0.00 38.32 39.20 1adn h ASN 22 CO 0.44 1.75 -0.36 0.00 -1.29 0.00 0.00 177.43 177.97 1adn n ALA 23 N -2.80 2.15 -1.00 1.57 0.00 -1.26 -5.01 120.51 114.16 1adn n ALA 23 Ca -0.21 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.48 1adn n ALA 23 Cb 1.08 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 20.20 1adn n ALA 23 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1adn n ASP 24 N 0.05 0.00 0.00 0.00 8.00 -1.26 -4.84 116.55 118.49 1adn n ASP 24 Ca -0.01 0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.86 1adn n ASP 24 Cb 0.67 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.77 1adn n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1adn n GLY 25 N -0.58 2.39 0.32 0.44 0.00 -1.26 -2.44 105.19 104.06 1adn n GLY 25 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1adn n GLY 25 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1adn n GLU 26 N 0.00 0.00 -3.01 1.61 2.13 -1.26 -5.17 120.64 114.95 1adn n GLU 26 Ca 0.00 -0.37 -0.32 0.00 0.66 0.00 0.00 57.16 57.13 1adn n GLU 26 Cb 0.00 -0.23 -0.06 0.00 0.27 0.00 0.00 31.44 31.43 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 0.00 3.38 0.14 4.31 -0.12 -1.02 -3.91 117.98 120.75 1adn s PHE 27 Ca 0.00 1.28 0.06 0.00 -0.05 0.00 0.00 56.93 58.22 1adn s PHE 27 Cb 0.00 -2.59 -0.04 0.00 -0.63 0.00 0.00 43.02 39.76 1adn s PHE 27 CO 0.00 0.01 -0.15 0.14 -0.05 0.00 0.00 175.22 175.17 1adn s VAL 28 N -2.10 1.44 -0.01 -2.49 -7.23 0.39 -4.34 120.40 106.06 1adn s VAL 28 Ca 0.55 -1.81 0.01 0.00 -1.81 0.00 0.00 61.98 58.92 1adn s VAL 28 Cb -0.10 -1.64 0.01 0.00 0.56 0.00 0.00 36.38 35.21 1adn s VAL 28 CO 0.19 -0.43 -0.02 0.72 -0.31 0.00 0.00 175.10 175.26 1adn s PHE 29 N -2.25 0.27 -0.33 2.82 -0.71 -0.19 0.24 117.98 117.83 1adn s PHE 29 Ca 0.11 -0.03 0.03 0.00 -1.04 0.00 0.00 56.93 56.01 1adn s PHE 29 Cb -0.04 -0.25 0.09 0.00 -1.21 0.00 0.00 43.02 41.61 1adn s PHE 29 CO 0.04 -0.05 0.03 0.00 -1.34 0.00 0.00 175.22 173.90 1adn s ALA 30 N 0.35 2.86 -0.91 1.99 0.00 -0.34 -0.30 121.76 125.41 1adn s ALA 30 Ca -0.03 -2.40 -0.21 0.00 0.00 0.00 0.00 51.96 49.31 1adn s ALA 30 Cb -0.06 -1.94 0.09 0.00 0.00 0.00 0.00 23.12 21.22 1adn s ALA 30 CO -0.01 -1.61 1.20 0.54 0.00 0.00 0.00 175.76 175.88 1adn s VAL 31 N 0.95 4.39 -0.12 0.00 0.11 -0.80 0.54 120.40 125.47 1adn s VAL 31 Ca 0.07 -1.08 0.01 0.00 -2.93 0.00 0.00 61.98 58.06 1adn s VAL 31 Cb -0.19 -4.85 0.16 0.00 -1.53 0.00 0.00 36.38 29.97 1adn s VAL 31 CO -0.07 -1.64 1.35 -2.11 -3.33 0.00 0.00 175.10 169.30 1adn n ARG 32 N 7.52 1.34 -0.12 1.54 -4.01 -1.09 -2.46 116.66 119.38 1adn n ARG 32 Ca 0.22 -0.79 -0.20 0.00 -1.04 0.00 0.00 57.85 56.04 1adn n ARG 32 Cb 0.49 -1.31 -0.11 0.00 -3.04 0.00 0.00 32.46 28.50 1adn n ARG 32 CO 0.00 0.00 0.00 -2.37 -3.04 0.00 0.00 177.63 172.22 1adn n THR 33 N 0.19 1.39 0.57 8.89 5.66 -1.26 -4.43 114.28 125.29 1adn n THR 33 Ca 0.16 -0.48 0.11 0.00 -3.05 0.00 0.00 64.05 60.78 1adn n THR 33 Cb 0.77 -1.49 -0.04 0.00 -1.55 0.00 0.00 70.33 68.02 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 -3.46 0.10 -1.16 1.09 -1.04 -1.25 -5.06 114.28 103.51 1adn n THR 34 Ca -0.45 -0.23 0.00 0.00 -2.04 0.00 0.00 64.05 61.33 1adn n THR 34 Cb 0.93 0.34 0.00 0.00 -1.82 0.00 0.00 70.33 69.78 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 1.38 0.78 2.86 3.41 0.00 -1.03 -5.14 105.19 107.46 1adn n GLY 35 Ca 0.01 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.78 -0.02 -0.38 -0.61 -4.36 -1.10 -4.74 121.20 107.22 1adn s ILE 36 Ca 0.00 0.06 -0.10 0.00 -0.26 0.00 0.00 60.65 60.35 1adn s ILE 36 Cb 0.00 -0.05 0.04 0.00 1.25 0.00 0.00 42.46 43.70 1adn s ILE 36 CO 0.00 0.02 0.21 0.72 0.24 0.00 0.00 174.94 176.13 1adn s PHE 37 N 0.30 3.27 0.21 1.37 -0.12 0.14 -1.91 117.98 121.24 1adn s PHE 37 Ca -0.02 -1.18 0.10 0.00 -0.05 0.00 0.00 56.93 55.78 1adn s PHE 37 Cb -0.04 -2.55 -0.05 0.00 -0.63 0.00 0.00 43.02 39.76 1adn s PHE 37 CO -0.01 -0.72 -0.20 0.00 -0.05 0.00 0.00 175.22 174.25 1adn s ARG 39 N -3.06 4.16 0.00 0.00 1.81 -1.07 -1.02 118.95 119.76 1adn s ARG 39 Ca 0.22 1.52 0.00 0.00 -1.72 0.00 0.00 55.73 55.75 1adn s ARG 39 Cb -0.05 -3.78 0.00 0.00 -0.45 0.00 0.00 34.95 30.67 1adn s ARG 39 CO 0.10 -0.80 0.00 -2.30 -0.68 0.00 0.00 175.30 171.62 1adn n PRO 40 N 6.75 0.00 0.00 3.54 -0.02 -1.26 -4.58 135.00 139.43 1adn n PRO 40 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1adn n PRO 40 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.93 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 0.00 0.00 0.00 2.55 2.88 -1.26 -4.86 113.62 112.93 1adn n SER 41 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1adn n SER 41 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1adn n SER 41 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1adn n ARG 43 N 0.00 0.60 -0.03 0.00 5.12 -1.26 -4.25 116.66 116.84 1adn n ARG 43 Ca 0.00 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 55.90 1adn n ARG 43 Cb 0.00 -1.32 0.02 0.00 -1.16 0.00 0.00 32.46 30.00 1adn n ARG 43 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1adn n ALA 44 N -0.82 -0.40 0.32 7.54 0.00 -1.26 -4.75 120.51 121.13 1adn n ALA 44 Ca 0.09 -0.12 0.05 0.00 0.00 0.00 0.00 53.44 53.46 1adn n ALA 44 Cb 0.04 -0.01 0.26 0.00 0.00 0.00 0.00 19.45 19.74 1adn n ALA 44 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1adn h ARG 45 N 0.00 0.00 0.00 0.00 -0.00 -2.01 -3.46 114.38 108.91 1adn h ARG 45 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.95 1adn h ARG 45 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.07 1adn h ARG 45 CO 0.02 0.00 0.00 1.58 -0.00 0.00 0.00 179.97 181.57 1adn n HIS 46 N -2.55 0.00 -2.08 4.08 -0.00 -1.26 -4.97 115.22 108.44 1adn n HIS 46 Ca -0.01 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.29 1adn n HIS 46 Cb 0.78 -0.62 -0.03 0.00 -0.00 0.00 0.00 29.99 30.12 1adn n HIS 46 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1adn s ALA 47 N -0.76 3.63 0.86 1.57 0.00 -1.26 -5.01 121.76 120.79 1adn s ALA 47 Ca 0.00 0.90 -0.13 0.00 0.00 0.00 0.00 51.96 52.73 1adn s ALA 47 Cb 0.00 -3.70 0.06 0.00 0.00 0.00 0.00 23.12 19.48 1adn s ALA 47 CO 0.00 -1.27 0.83 1.28 0.00 0.00 0.00 175.76 176.60 1adn n LEU 48 N 6.65 2.15 -0.51 0.00 4.32 -1.26 -4.92 117.00 123.42 1adn n LEU 48 Ca 0.16 0.47 0.03 0.00 -0.02 0.00 0.00 56.01 56.66 1adn n LEU 48 Cb 0.43 -1.36 0.10 0.00 -1.62 0.00 0.00 43.42 40.97 1adn n LEU 48 CO 0.61 -2.64 0.55 -2.11 -1.22 0.00 0.00 177.39 172.59 1adn n ARG 49 N -2.57 1.65 0.06 3.23 1.85 -1.26 -4.11 116.66 115.51 1adn n ARG 49 Ca 0.10 -0.83 0.01 0.00 -1.00 0.00 0.00 57.85 56.14 1adn n ARG 49 Cb 0.52 -1.29 -0.05 0.00 -1.05 0.00 0.00 32.46 30.59 1adn n ARG 49 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 1adn h GLU 50 N 1.29 0.00 0.00 2.89 5.08 -2.01 -3.36 114.58 118.47 1adn h GLU 50 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1adn h GLU 50 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1adn h GLU 50 CO 0.03 0.31 -0.25 0.27 -1.00 0.00 0.00 179.01 178.37 1adn n ASN 51 N -2.94 0.98 -4.89 1.42 6.94 -1.26 -5.12 115.26 110.38 1adn n ASN 51 Ca -0.06 -2.32 -0.34 0.00 -0.02 0.00 0.00 54.58 51.83 1adn n ASN 51 Cb 0.79 -0.26 -0.05 0.00 -2.36 0.00 0.00 39.78 37.90 1adn n ASN 51 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1adn s VAL 52 N -1.11 5.32 0.44 3.53 0.11 -1.26 -2.68 120.40 124.74 1adn s VAL 52 Ca 0.12 0.09 0.07 0.00 -2.93 0.00 0.00 61.98 59.33 1adn s VAL 52 Cb 0.10 -3.57 -0.03 0.00 -1.53 0.00 0.00 36.38 31.35 1adn s VAL 52 CO 0.01 0.33 0.23 -0.55 -3.33 0.00 0.00 175.10 171.80 1adn s SER 53 N -1.80 4.54 0.03 3.54 0.15 0.19 -4.87 113.70 115.47 1adn s SER 53 Ca 0.28 -1.08 0.01 0.00 0.70 0.00 0.00 55.95 55.86 1adn s SER 53 Cb -0.13 -0.31 -0.02 0.00 -1.71 0.00 0.00 66.02 63.84 1adn s SER 53 CO 0.17 -0.66 -0.05 -0.36 1.20 0.00 0.00 173.24 173.54 1adn s PHE 54 N -2.62 0.45 0.06 3.44 0.08 -1.26 -1.20 117.98 116.92 1adn s PHE 54 Ca 0.39 -0.50 -0.09 0.00 0.12 0.00 0.00 56.93 56.86 1adn s PHE 54 Cb 0.02 -0.28 0.00 0.00 -0.57 0.00 0.00 43.02 42.18 1adn s PHE 54 CO 0.22 -0.13 0.19 0.71 -0.10 0.00 0.00 175.22 176.11 1adn s TYR 55 N -1.37 0.11 -0.06 0.36 1.51 0.14 -4.98 117.35 113.06 1adn s TYR 55 Ca -0.13 -0.43 0.13 0.00 -1.01 0.00 0.00 57.07 55.63 1adn s TYR 55 Cb -0.10 -0.05 -0.07 0.00 -0.11 0.00 0.00 41.96 41.63 1adn s TYR 55 CO -0.00 -0.49 1.24 0.00 -1.11 0.00 0.00 175.55 175.19 1adn h ALA 56 N 3.10 0.58 -2.61 3.71 0.00 -1.86 0.11 119.26 122.29 1adn h ALA 56 Ca -0.33 -0.73 -0.12 0.00 0.00 0.00 0.00 54.91 53.73 1adn h ALA 56 Cb 1.19 -0.01 -0.18 0.00 0.00 0.00 0.00 17.79 18.80 1adn h ALA 56 CO 0.52 0.93 -0.43 1.21 0.00 0.00 0.00 179.25 181.49 1adn s ASN 57 N -6.40 0.04 0.42 0.00 3.84 -1.25 -3.36 114.94 108.23 1adn s ASN 57 Ca 0.01 -0.34 0.08 0.00 0.21 0.00 0.00 52.86 52.83 1adn s ASN 57 Cb 0.08 0.26 0.89 0.00 -0.55 0.00 0.00 41.25 41.94 1adn s ASN 57 CO 0.78 -0.51 2.05 0.00 -2.79 0.00 0.00 177.10 176.64 1adn h ALA 58 N 3.68 1.72 -1.39 1.71 0.00 -1.93 -2.81 119.26 120.23 1adn h ALA 58 Ca -0.32 -0.04 0.42 0.00 0.00 0.00 0.00 54.91 54.97 1adn h ALA 58 Cb 1.19 -0.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.74 1adn h ALA 58 CO 0.47 0.25 0.94 0.77 0.00 0.00 0.00 179.25 181.67 1adn h SER 59 N 0.46 0.18 0.41 0.00 0.02 -1.97 0.22 113.55 112.87 1adn h SER 59 Ca 0.12 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 1adn h SER 59 Cb -0.01 0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1adn h SER 59 CO -0.02 -0.08 -0.20 -0.08 -1.14 0.00 0.00 176.83 175.31 1adn h GLU 60 N 0.10 -0.53 -0.40 3.45 4.57 -1.91 -0.02 114.58 119.84 1adn h GLU 60 Ca 0.77 0.04 0.12 0.00 -1.18 0.00 0.00 59.36 59.10 1adn h GLU 60 Cb 2.61 0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 31.30 1adn h GLU 60 CO -0.25 -0.22 0.29 0.00 -1.18 0.00 0.00 179.01 177.65 1adn h ALA 61 N -0.53 2.38 0.15 2.92 0.00 -0.74 1.23 119.26 124.66 1adn h ALA 61 Ca -0.06 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.58 1adn h ALA 61 Cb 0.56 0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.40 1adn h ALA 61 CO 0.09 -0.49 -1.11 1.37 0.00 0.00 0.00 179.25 179.11 1adn h LEU 62 N 0.00 0.72 -1.87 0.00 8.10 -1.53 -1.88 115.31 118.84 1adn h LEU 62 Ca 0.19 -0.88 0.08 0.00 0.11 0.00 0.00 57.88 57.38 1adn h LEU 62 Cb 0.76 -0.23 -0.01 0.00 -0.44 0.00 0.00 40.66 40.74 1adn h LEU 62 CO -0.00 1.54 0.46 0.00 -4.11 0.00 0.00 178.44 176.32 1adn h ALA 63 N 0.19 1.88 -0.11 0.17 0.00 0.14 1.21 119.26 122.74 1adn h ALA 63 Ca -0.18 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.52 1adn h ALA 63 Cb 1.84 0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.66 1adn h ALA 63 CO 0.21 -0.61 -0.70 0.00 0.00 0.00 0.00 179.25 178.16 1adn h ALA 64 N 1.34 0.23 0.00 0.00 0.00 0.14 -3.49 119.26 117.49 1adn h ALA 64 Ca 0.13 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1adn h ALA 64 Cb 1.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1adn h ALA 64 CO -0.00 0.55 0.00 0.41 0.00 0.00 0.00 179.25 180.21 1adn n GLY 65 N 0.76 1.61 0.00 0.00 0.00 0.42 -5.10 105.19 102.88 1adn n GLY 65 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.22 -0.87 -4.38 1.61 7.35 -0.74 -5.01 117.46 115.19 1adn n PHE 66 Ca 0.00 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.35 1adn n PHE 66 Cb 0.00 0.00 -0.12 0.00 0.35 0.00 0.00 39.48 39.71 1adn n PHE 66 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1adn s ARG 67 N 1.19 3.61 -1.49 -4.13 3.00 -1.26 -4.79 118.95 115.07 1adn s ARG 67 Ca 0.00 -0.50 -0.09 0.00 0.00 0.00 0.00 55.73 55.14 1adn s ARG 67 Cb 0.00 -2.91 0.01 0.00 0.00 0.00 0.00 34.95 32.04 1adn s ARG 67 CO 0.00 0.29 2.60 -0.35 0.00 0.00 0.00 175.30 177.84 1adn n PRO 68 N 3.38 3.77 -1.49 3.54 -0.04 -1.25 0.27 135.00 143.19 1adn n PRO 68 Ca -0.17 -2.71 -0.42 0.00 -0.04 0.00 0.00 63.50 60.17 1adn n PRO 68 Cb 0.53 -2.85 -0.14 0.00 -0.04 0.00 0.00 33.50 30.99 1adn n PRO 68 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1adn n LYS 70 N 8.49 0.00 0.00 0.00 4.76 -1.26 -2.61 118.16 127.54 1adn n LYS 70 Ca 0.63 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 56.08 1adn n LYS 70 Cb 0.07 -0.28 0.00 0.00 -1.84 0.00 0.00 35.03 32.98 1adn n LYS 70 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1adn n ARG 71 N -1.06 0.00 0.00 1.97 5.12 -1.26 -4.68 116.66 116.75 1adn n ARG 71 Ca 0.00 0.25 0.00 0.00 -1.93 0.00 0.00 57.85 56.17 1adn n ARG 71 Cb 0.00 -1.19 0.00 0.00 -1.16 0.00 0.00 32.46 30.11 1adn n ARG 71 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1adn n GLN 73 N 0.00 0.02 -0.11 0.00 7.27 -1.26 -4.94 117.38 118.36 1adn n GLN 73 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 57.00 57.06 1adn n GLN 73 Cb 0.00 -1.28 0.00 0.00 2.41 0.00 0.00 30.24 31.37 1adn n GLN 73 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 1adn n PRO 74 N 6.88 1.25 -0.57 3.69 -0.04 -1.26 -5.01 135.00 139.94 1adn n PRO 74 Ca 0.67 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 64.13 1adn n PRO 74 Cb 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.56 1adn n PRO 74 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1adn n ASP 75 N -0.96 -0.77 0.00 3.54 9.92 -1.26 -5.06 116.55 121.96 1adn n ASP 75 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1adn n ASP 75 Cb 0.00 -0.38 0.00 0.00 -0.64 0.00 0.00 41.12 40.10 1adn n ASP 75 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1adn n LYS 76 N 0.51 0.00 -0.06 -1.24 3.00 -1.26 -4.76 118.16 114.35 1adn n LYS 76 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.30 1adn n LYS 76 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.03 1adn n LYS 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1adn n ALA 77 N -2.58 -0.05 -3.66 3.14 0.00 -1.26 -4.09 120.51 112.01 1adn n ALA 77 Ca 0.00 0.15 -0.15 0.00 0.00 0.00 0.00 53.44 53.44 1adn n ALA 77 Cb 0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 19.45 19.26 1adn n ALA 77 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1adn s ASN 78 N -5.07 0.52 0.33 0.00 0.01 -1.26 -5.07 114.94 104.41 1adn s ASN 78 Ca -0.02 0.48 0.15 0.00 -0.71 0.00 0.00 52.86 52.77 1adn s ASN 78 Cb 0.03 0.54 0.55 0.00 0.41 0.00 0.00 41.25 42.77 1adn s ASN 78 CO 0.11 -0.24 1.68 1.55 -1.51 0.00 0.00 177.10 178.69 1adn h PRO 79 N 8.32 0.00 -0.35 -0.60 0.13 -1.86 -3.45 132.00 134.18 1adn h PRO 79 Ca -0.14 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.84 1adn h PRO 79 Cb 1.12 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.19 1adn h PRO 79 CO 0.14 0.47 -0.14 -2.13 -0.23 0.00 0.00 178.00 176.11 1adn n ARG 80 N -3.63 -0.58 0.00 0.86 0.63 -1.26 -4.75 116.66 107.92 1adn n ARG 80 Ca -0.01 0.74 0.00 0.00 -0.92 0.00 0.00 57.85 57.66 1adn n ARG 80 Cb 0.55 -4.56 0.00 0.00 0.45 0.00 0.00 32.46 28.90 1adn n ARG 80 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1adn n GLN 81 N -2.66 0.00 0.00 -0.14 6.02 -1.26 -4.93 117.38 114.40 1adn n GLN 81 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 1adn n GLN 81 Cb 0.26 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.52 1adn n GLN 81 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 1adn n HIS 82 N -0.73 0.00 -1.91 1.08 -0.00 -1.26 -5.01 115.22 107.38 1adn n HIS 82 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1adn n HIS 82 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1adn n HIS 82 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1adn n ARG 83 N -1.04 0.00 -2.97 1.57 1.74 -1.26 -5.09 116.66 109.61 1adn n ARG 83 Ca 0.00 -0.46 -0.44 0.00 -0.77 0.00 0.00 57.85 56.18 1adn n ARG 83 Cb 0.00 -0.25 -0.04 0.00 -1.02 0.00 0.00 32.46 31.15 1adn n ARG 83 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1adn s LEU 84 N 0.00 4.89 -0.39 0.55 1.02 -1.26 -4.90 118.68 118.59 1adn s LEU 84 Ca 0.00 -1.30 0.12 0.00 0.02 0.00 0.00 54.13 52.98 1adn s LEU 84 Cb 0.00 -2.37 0.40 0.00 0.02 0.00 0.00 46.19 44.24 1adn s LEU 84 CO 0.00 -1.26 0.88 -0.67 0.02 0.00 0.00 176.35 175.32 1adn n ASP 85 N 6.99 1.99 -0.91 2.29 2.03 -1.26 -5.12 116.55 122.56 1adn n ASP 85 Ca -0.03 -3.07 0.10 0.00 0.52 0.00 0.00 54.79 52.30 1adn n ASP 85 Cb 0.45 -0.56 -0.02 0.00 -0.72 0.00 0.00 41.12 40.26 1adn n ASP 85 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1adn n LYS 86 N -0.00 -1.44 -3.71 -0.67 5.02 -1.26 -5.03 118.16 111.07 1adn n LYS 86 Ca 0.22 0.95 -0.14 0.00 -2.02 0.00 0.00 58.31 57.31 1adn n LYS 86 Cb 0.68 -1.75 -0.09 0.00 -0.02 0.00 0.00 35.03 33.85 1adn n LYS 86 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1adn s ILE 87 N -1.32 0.03 0.14 -0.18 1.01 -1.26 -5.20 121.20 114.42 1adn s ILE 87 Ca 0.00 -0.21 0.09 0.00 0.00 0.00 0.00 60.65 60.53 1adn s ILE 87 Cb 0.00 -0.68 -0.04 0.00 0.01 0.00 0.00 42.46 41.75 1adn s ILE 87 CO 0.00 -0.11 -0.18 -0.89 0.00 0.00 0.00 174.94 173.75 1adn s THR 88 N -0.68 2.80 -0.19 2.92 2.01 -1.26 -5.15 115.64 116.08 1adn s THR 88 Ca -0.08 -1.61 -0.09 0.00 0.31 0.00 0.00 61.69 60.23 1adn s THR 88 Cb -0.04 -2.30 -0.04 0.00 0.01 0.00 0.00 72.50 70.13 1adn s THR 88 CO 0.04 0.04 0.09 -2.28 -0.69 0.00 0.00 174.62 171.82 1adn s HIS 89 N -1.28 3.31 0.00 4.92 2.46 -1.26 -4.95 115.29 118.49 1adn s HIS 89 Ca 0.19 0.16 0.00 0.00 0.47 0.00 0.00 55.06 55.88 1adn s HIS 89 Cb -0.10 -2.12 0.00 0.00 -0.13 0.00 0.00 32.58 30.23 1adn s HIS 89 CO 0.11 0.19 0.00 0.00 -2.47 0.00 0.00 174.74 172.56 1adn n ALA 90 N 3.61 0.00 -0.46 1.58 0.00 -1.26 -4.94 120.51 119.04 1adn n ALA 90 Ca -0.16 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.33 1adn n ALA 90 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 1adn n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50