#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1adn s LYS 2 N 0.00 0.18 -0.45 3.17 -2.85 -1.26 -5.07 119.74 113.46 1adn s LYS 2 Ca 0.00 0.20 0.07 0.00 -1.00 0.00 0.00 55.97 55.24 1adn s LYS 2 Cb 0.00 -1.21 0.24 0.00 -2.06 0.00 0.00 37.83 34.80 1adn s LYS 2 CO 0.00 -0.65 0.72 1.17 0.10 0.00 0.00 175.35 176.70 1adn n LYS 3 N 5.32 0.74 -0.25 1.78 4.81 -1.26 -4.99 118.16 124.31 1adn n LYS 3 Ca -0.06 -2.39 0.03 0.00 -0.87 0.00 0.00 58.31 55.02 1adn n LYS 3 Cb 0.49 -1.36 0.13 0.00 0.02 0.00 0.00 35.03 34.31 1adn n LYS 3 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1adn n ALA 4 N 1.58 2.81 0.08 3.14 0.00 -1.26 -4.00 120.51 122.86 1adn n ALA 4 Ca 0.15 -0.57 -0.23 0.00 0.00 0.00 0.00 53.44 52.78 1adn n ALA 4 Cb 0.58 -1.02 -0.15 0.00 0.00 0.00 0.00 19.45 18.86 1adn n ALA 4 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1adn h THR 5 N 1.36 0.99 -3.34 0.00 2.02 -2.07 -3.47 112.91 108.40 1adn h THR 5 Ca 0.00 -2.55 -0.53 0.00 0.77 0.00 0.00 66.41 64.10 1adn h THR 5 Cb 0.79 2.80 0.08 0.00 -1.74 0.00 0.00 68.15 70.08 1adn h THR 5 CO 0.11 0.85 0.87 0.00 0.37 0.00 0.00 175.52 177.73 1adn s LEU 7 N -0.50 3.49 0.07 0.00 1.43 -1.26 -5.04 118.68 116.86 1adn s LEU 7 Ca 0.63 -0.24 -0.04 0.00 -1.03 0.00 0.00 54.13 53.44 1adn s LEU 7 Cb -0.47 -2.84 -0.05 0.00 0.03 0.00 0.00 46.19 42.86 1adn s LEU 7 CO 0.47 -1.59 0.29 0.42 0.23 0.00 0.00 176.35 176.18 1adn s THR 8 N 5.07 5.28 0.65 5.49 -4.23 -1.26 -4.99 115.64 121.64 1adn s THR 8 Ca 0.37 -0.02 0.34 0.00 -1.18 0.00 0.00 61.69 61.20 1adn s THR 8 Cb -0.09 -3.60 0.34 0.00 1.34 0.00 0.00 72.50 70.49 1adn s THR 8 CO 0.20 0.19 2.04 0.44 -0.54 0.00 0.00 174.62 176.95 1adn h ASP 9 N 3.35 0.00 -0.02 3.99 5.19 -1.99 -1.33 116.42 125.60 1adn h ASP 9 Ca -0.47 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 55.93 1adn h ASP 9 Cb 1.18 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.69 1adn h ASP 9 CO 0.71 0.00 0.00 -0.78 -3.12 0.00 0.00 179.24 176.05 1adn h ASP 10 N 0.00 0.04 -0.17 6.45 3.58 -1.99 -1.99 116.42 122.34 1adn h ASP 10 Ca 0.00 -0.26 -0.04 0.00 0.42 0.00 0.00 57.03 57.15 1adn h ASP 10 Cb 0.46 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.50 1adn h ASP 10 CO 0.00 0.29 -0.06 0.06 -2.88 0.00 0.00 179.24 176.65 1adn h GLN 11 N -0.22 0.33 0.00 0.28 3.07 -1.68 0.25 115.11 117.15 1adn h GLN 11 Ca 0.01 -0.14 0.00 0.00 0.09 0.00 0.00 58.65 58.61 1adn h GLN 11 Cb 0.27 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.81 1adn h GLN 11 CO 0.00 0.63 0.00 0.54 0.09 0.00 0.00 178.83 180.09 1adn n ARG 12 N -4.65 0.00 0.16 0.06 3.00 -0.80 -0.28 116.66 114.16 1adn n ARG 12 Ca -0.05 0.97 0.01 0.00 -0.01 0.00 0.00 57.85 58.77 1adn n ARG 12 Cb 0.28 -1.49 0.24 0.00 0.00 0.00 0.00 32.46 31.50 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 -0.70 -1.55 2.91 -1.40 0.42 115.95 115.63 1adn h TRP 13 Ca 0.00 0.00 0.13 0.00 1.13 0.00 0.00 58.89 60.15 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 -0.87 0.52 0.47 0.37 -1.03 0.00 0.00 178.44 177.89 1adn h GLN 14 N 0.00 0.43 -0.90 2.65 5.75 -0.30 0.49 115.11 123.23 1adn h GLN 14 Ca -0.01 -0.03 0.03 0.00 -0.15 0.00 0.00 58.65 58.50 1adn h GLN 14 Cb 1.01 -0.10 -0.05 0.00 1.07 0.00 0.00 27.48 29.41 1adn h GLN 14 CO 0.07 0.28 0.58 1.03 -2.65 0.00 0.00 178.83 178.14 1adn h SER 15 N 0.44 0.97 0.21 -0.69 0.87 0.16 0.77 113.55 116.29 1adn h SER 15 Ca 0.34 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.90 1adn h SER 15 Cb 0.70 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 62.40 1adn h SER 15 CO -0.11 0.67 -0.40 0.58 -0.53 0.00 0.00 176.83 177.05 1adn h VAL 16 N 1.14 0.19 -0.77 2.23 2.07 0.16 -2.71 116.25 118.56 1adn h VAL 16 Ca 0.35 0.00 0.18 0.00 0.82 0.00 0.00 66.70 68.05 1adn h VAL 16 Cb -0.01 0.19 -0.12 0.00 -1.52 0.00 0.00 31.29 29.83 1adn h VAL 16 CO -0.11 0.00 0.18 -0.07 0.02 0.00 0.00 177.57 177.59 1adn h LEU 17 N -0.69 -0.01 -5.68 2.57 3.38 -0.79 -1.23 115.31 112.87 1adn h LEU 17 Ca 0.01 0.16 -0.73 0.00 0.09 0.00 0.00 57.88 57.40 1adn h LEU 17 Cb 0.68 0.22 -0.10 0.00 0.09 0.00 0.00 40.66 41.55 1adn h LEU 17 CO -0.18 -0.07 2.63 0.00 0.09 0.00 0.00 178.44 180.91 1adn n ALA 18 N -2.69 6.66 -0.16 1.53 0.00 0.24 -4.83 120.51 121.26 1adn n ALA 18 Ca 0.16 -4.02 0.08 0.00 0.00 0.00 0.00 53.44 49.66 1adn n ALA 18 Cb 0.51 -2.94 0.16 0.00 0.00 0.00 0.00 19.45 17.18 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 2.57 -0.04 -1.46 0.00 0.63 -0.47 -4.15 116.66 113.75 1adn n ARG 19 Ca 0.61 0.69 -0.51 0.00 -0.92 0.00 0.00 57.85 57.73 1adn n ARG 19 Cb 0.27 -1.12 -0.07 0.00 0.45 0.00 0.00 32.46 31.99 1adn n ARG 19 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1adn n ASP 20 N -4.45 2.19 -3.84 6.15 2.03 -1.26 -4.73 116.55 112.64 1adn n ASP 20 Ca 0.12 0.43 -0.00 0.00 0.52 0.00 0.00 54.79 55.86 1adn n ASP 20 Cb 0.40 -1.27 -0.00 0.00 -0.72 0.00 0.00 41.12 39.53 1adn n ASP 20 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1adn n PRO 21 N 8.12 0.00 0.00 -0.67 -0.02 -1.26 -4.78 135.00 136.39 1adn n PRO 21 Ca 0.40 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1adn n PRO 21 Cb 0.23 -0.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.75 1adn n PRO 21 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1adn n ASN 22 N 4.33 0.00 -1.19 2.55 5.15 -1.26 -4.71 115.26 120.13 1adn n ASN 22 Ca 0.01 0.17 0.09 0.00 -0.60 0.00 0.00 54.58 54.25 1adn n ASN 22 Cb 0.48 -0.28 0.28 0.00 -0.53 0.00 0.00 39.78 39.73 1adn n ASN 22 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1adn n ALA 23 N -1.61 2.57 -1.00 5.20 0.00 -1.26 -4.84 120.51 119.56 1adn n ALA 23 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 53.44 52.02 1adn n ALA 23 Cb 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 1.03 0.00 0.00 0.00 9.92 -1.26 -4.85 116.55 121.38 1adn n ASP 24 Ca 0.21 0.31 0.00 0.00 -0.53 0.00 0.00 54.79 54.78 1adn n ASP 24 Cb 0.66 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.14 1adn n ASP 24 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1adn n GLY 25 N -0.37 2.01 0.03 0.44 0.00 -1.26 -2.62 105.19 103.43 1adn n GLY 25 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.69 1.61 2.13 -1.26 -5.17 120.64 116.26 1adn n GLU 26 Ca 0.00 -0.36 -0.31 0.00 0.66 0.00 0.00 57.16 57.16 1adn n GLU 26 Cb 0.00 -0.34 0.04 0.00 0.27 0.00 0.00 31.44 31.42 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 3.26 0.18 4.31 -0.12 -1.08 -4.33 117.98 120.20 1adn s PHE 27 Ca 0.00 1.30 0.06 0.00 -0.05 0.00 0.00 56.93 58.24 1adn s PHE 27 Cb 0.00 -2.89 -0.05 0.00 -0.63 0.00 0.00 43.02 39.46 1adn s PHE 27 CO 0.00 -1.13 -0.12 0.14 -0.05 0.00 0.00 175.22 174.06 1adn s VAL 28 N -3.14 1.45 0.11 -2.49 -7.23 0.17 -4.48 120.40 104.79 1adn s VAL 28 Ca 0.57 -2.14 0.02 0.00 -1.81 0.00 0.00 61.98 58.63 1adn s VAL 28 Cb -0.13 -1.98 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 1adn s VAL 28 CO 0.54 -0.65 -0.07 0.72 -0.31 0.00 0.00 175.10 175.33 1adn s PHE 29 N -3.15 0.97 -0.24 2.82 -0.12 -0.29 -0.77 117.98 117.20 1adn s PHE 29 Ca 0.20 -0.87 -0.03 0.00 -0.05 0.00 0.00 56.93 56.18 1adn s PHE 29 Cb 0.01 -0.54 0.08 0.00 -0.63 0.00 0.00 43.02 41.94 1adn s PHE 29 CO 0.04 -0.10 0.09 0.00 -0.05 0.00 0.00 175.22 175.20 1adn s ALA 30 N -3.48 0.84 -0.54 1.99 0.00 -0.29 -0.70 121.76 119.58 1adn s ALA 30 Ca 0.12 -0.91 -0.18 0.00 0.00 0.00 0.00 51.96 50.99 1adn s ALA 30 Cb 0.04 -1.30 0.09 0.00 0.00 0.00 0.00 23.12 21.96 1adn s ALA 30 CO -0.03 -1.42 0.60 0.54 0.00 0.00 0.00 175.76 175.45 1adn s VAL 31 N 1.96 4.97 -0.42 0.00 0.11 -0.96 0.58 120.40 126.64 1adn s VAL 31 Ca 0.05 -0.96 -0.04 0.00 -2.93 0.00 0.00 61.98 58.09 1adn s VAL 31 Cb -0.17 -4.36 -0.01 0.00 -1.53 0.00 0.00 36.38 30.32 1adn s VAL 31 CO -0.21 -0.91 2.94 -2.11 -3.33 0.00 0.00 175.10 171.48 1adn n ARG 32 N 5.92 2.45 -0.08 1.54 1.85 -1.10 -3.43 116.66 123.82 1adn n ARG 32 Ca -0.10 -2.11 -0.22 0.00 -1.00 0.00 0.00 57.85 54.42 1adn n ARG 32 Cb 0.43 -2.15 -0.12 0.00 -1.05 0.00 0.00 32.46 29.57 1adn n ARG 32 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1adn n THR 33 N 1.31 1.61 -0.05 8.89 -1.04 -1.26 -4.76 114.28 118.97 1adn n THR 33 Ca 0.49 -0.44 -0.07 0.00 -2.04 0.00 0.00 64.05 61.98 1adn n THR 33 Cb 0.61 -1.75 -0.05 0.00 -1.82 0.00 0.00 70.33 67.32 1adn n THR 33 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1adn n THR 34 N -3.79 0.58 0.00 12.58 -1.04 -1.26 -5.11 114.28 116.24 1adn n THR 34 Ca -0.40 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 61.40 1adn n THR 34 Cb 0.92 -0.90 0.00 0.00 -1.82 0.00 0.00 70.33 68.53 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 2.98 0.35 2.88 3.41 0.00 -1.25 -5.15 105.19 108.41 1adn n GLY 35 Ca -0.18 -0.40 -0.15 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 0.21 -0.30 -0.61 -4.36 -1.22 -4.37 121.20 110.55 1adn s ILE 36 Ca 0.00 -0.05 -0.03 0.00 -0.26 0.00 0.00 60.65 60.31 1adn s ILE 36 Cb 0.00 -0.23 0.04 0.00 1.25 0.00 0.00 42.46 43.52 1adn s ILE 36 CO 0.00 0.09 0.02 0.72 0.24 0.00 0.00 174.94 176.01 1adn s PHE 37 N 0.33 3.21 0.19 1.37 -0.12 0.13 -2.26 117.98 120.82 1adn s PHE 37 Ca -0.03 -1.61 0.07 0.00 -0.05 0.00 0.00 56.93 55.31 1adn s PHE 37 Cb -0.06 -2.15 -0.05 0.00 -0.63 0.00 0.00 43.02 40.14 1adn s PHE 37 CO -0.01 -0.75 -0.14 0.00 -0.05 0.00 0.00 175.22 174.28 1adn s ARG 39 N -3.51 4.30 0.00 0.00 3.52 -1.06 -1.14 118.95 121.06 1adn s ARG 39 Ca 0.20 1.62 0.00 0.00 -0.13 0.00 0.00 55.73 57.41 1adn s ARG 39 Cb -0.01 -3.64 0.00 0.00 -1.56 0.00 0.00 34.95 29.74 1adn s ARG 39 CO 0.05 -0.55 0.00 -2.30 -0.81 0.00 0.00 175.30 171.69 1adn n PRO 40 N 5.82 0.00 0.00 5.12 -0.02 -1.26 -4.79 135.00 139.87 1adn n PRO 40 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1adn n PRO 40 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.94 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 -3.47 2.55 2.88 -1.26 -4.68 113.62 109.64 1adn n SER 41 Ca 0.00 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.29 1adn n SER 41 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 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 4.84 0.00 -1.51 0.00 1.85 -1.26 -3.63 116.66 116.96 1adn n ARG 43 Ca 0.01 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.46 1adn n ARG 43 Cb 0.42 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.75 1adn n ARG 43 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1adn n ALA 44 N -0.15 0.69 -1.38 2.89 0.00 -1.26 -4.66 120.51 116.64 1adn n ALA 44 Ca 0.00 -0.53 -0.35 0.00 0.00 0.00 0.00 53.44 52.56 1adn n ALA 44 Cb 0.00 -2.76 -0.15 0.00 0.00 0.00 0.00 19.45 16.54 1adn n ALA 44 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1adn n ARG 45 N 8.67 0.00 -1.09 0.00 1.85 -1.24 -4.73 116.66 120.12 1adn n ARG 45 Ca 0.48 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.96 1adn n ARG 45 Cb 0.31 -1.30 0.06 0.00 -1.05 0.00 0.00 32.46 30.48 1adn n ARG 45 CO 0.00 0.00 0.00 -2.39 -0.01 0.00 0.00 177.63 175.23 1adn n HIS 46 N 8.83 -2.84 -0.11 2.89 1.44 -1.24 -5.00 115.22 119.19 1adn n HIS 46 Ca 0.61 0.22 -0.07 0.00 -2.01 0.00 0.00 57.72 56.47 1adn n HIS 46 Cb 0.05 -1.68 0.07 0.00 0.12 0.00 0.00 29.99 28.54 1adn n HIS 46 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1adn n ALA 47 N -2.45 -1.28 -1.95 1.59 0.00 -1.26 -5.05 120.51 110.12 1adn n ALA 47 Ca 0.05 -0.37 -0.28 0.00 0.00 0.00 0.00 53.44 52.84 1adn n ALA 47 Cb 0.52 -0.03 0.14 0.00 0.00 0.00 0.00 19.45 20.08 1adn n ALA 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1adn s LEU 48 N 0.00 2.78 -0.03 0.00 1.02 -1.26 -4.99 118.68 116.21 1adn s LEU 48 Ca 0.16 0.15 0.06 0.00 0.02 0.00 0.00 54.13 54.52 1adn s LEU 48 Cb -0.03 -2.37 0.24 0.00 0.02 0.00 0.00 46.19 44.05 1adn s LEU 48 CO 0.14 -2.31 1.07 -2.11 0.02 0.00 0.00 176.35 173.16 1adn n ARG 49 N -3.39 1.87 0.08 1.70 0.00 -1.26 -4.25 116.66 111.41 1adn n ARG 49 Ca 0.14 -0.95 0.12 0.00 -0.00 0.00 0.00 57.85 57.15 1adn n ARG 49 Cb 0.60 -1.42 0.12 0.00 -0.00 0.00 0.00 32.46 31.76 1adn n ARG 49 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1adn h GLU 50 N 1.40 0.00 0.00 2.89 5.08 -2.00 -3.31 114.58 118.63 1adn h GLU 50 Ca 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1adn h GLU 50 Cb 0.60 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.73 1adn h GLU 50 CO 0.07 0.00 -0.61 0.27 -1.00 0.00 0.00 179.01 177.74 1adn n ASN 51 N -2.32 0.76 -4.92 1.42 2.04 -1.26 -5.12 115.26 105.86 1adn n ASN 51 Ca 0.02 -2.30 -0.28 0.00 -0.44 0.00 0.00 54.58 51.59 1adn n ASN 51 Cb 0.47 -0.29 -0.04 0.00 -2.53 0.00 0.00 39.78 37.40 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 -0.64 5.26 0.44 3.53 0.11 -1.25 -2.70 120.40 125.15 1adn s VAL 52 Ca 0.18 -0.63 0.05 0.00 -2.93 0.00 0.00 61.98 58.65 1adn s VAL 52 Cb 0.19 -3.67 -0.06 0.00 -1.53 0.00 0.00 36.38 31.31 1adn s VAL 52 CO -0.06 -0.02 0.01 -0.55 -3.33 0.00 0.00 175.10 171.15 1adn s SER 53 N -3.00 3.92 -0.06 3.54 0.15 0.20 -4.87 113.70 113.57 1adn s SER 53 Ca 0.34 -1.45 -0.04 0.00 0.70 0.00 0.00 55.95 55.50 1adn s SER 53 Cb -0.12 -0.12 0.03 0.00 -1.71 0.00 0.00 66.02 64.10 1adn s SER 53 CO 0.28 -0.57 0.15 -0.36 1.20 0.00 0.00 173.24 173.94 1adn s PHE 54 N -2.77 -0.17 0.06 3.44 0.08 -1.26 -1.14 117.98 116.23 1adn s PHE 54 Ca 0.27 0.46 -0.01 0.00 0.12 0.00 0.00 56.93 57.77 1adn s PHE 54 Cb 0.08 -0.04 -0.04 0.00 -0.57 0.00 0.00 43.02 42.45 1adn s PHE 54 CO 0.14 -0.14 -0.02 0.71 -0.10 0.00 0.00 175.22 175.80 1adn s TYR 55 N 0.85 0.59 0.13 0.36 1.51 0.05 -5.01 117.35 115.84 1adn s TYR 55 Ca -0.06 -1.08 0.11 0.00 -1.01 0.00 0.00 57.07 55.03 1adn s TYR 55 Cb -0.08 -0.41 0.12 0.00 -0.11 0.00 0.00 41.96 41.47 1adn s TYR 55 CO -0.04 -0.38 1.46 0.00 -1.11 0.00 0.00 175.55 175.48 1adn h ALA 56 N 3.10 0.67 -2.49 3.71 0.00 -1.90 0.50 119.26 122.84 1adn h ALA 56 Ca -0.34 -0.66 -0.09 0.00 0.00 0.00 0.00 54.91 53.81 1adn h ALA 56 Cb 1.15 -0.12 -0.15 0.00 0.00 0.00 0.00 17.79 18.68 1adn h ALA 56 CO 0.65 0.91 -0.41 1.21 0.00 0.00 0.00 179.25 181.61 1adn s ASN 57 N -6.68 0.15 0.00 0.00 3.04 -1.26 -3.18 114.94 107.01 1adn s ASN 57 Ca 0.01 -0.64 0.12 0.00 0.04 0.00 0.00 52.86 52.38 1adn s ASN 57 Cb 0.11 0.31 0.53 0.00 -1.54 0.00 0.00 41.25 40.66 1adn s ASN 57 CO 0.77 -0.68 1.35 0.00 -3.04 0.00 0.00 177.10 175.50 1adn n ALA 58 N 0.09 1.58 0.10 1.71 0.00 -1.26 -1.95 120.51 120.78 1adn n ALA 58 Ca -0.16 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1adn n ALA 58 Cb 0.62 -1.19 0.31 0.00 0.00 0.00 0.00 19.45 19.18 1adn n ALA 58 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1adn h SER 59 N 0.00 0.26 0.35 0.00 4.64 -1.98 0.15 113.55 116.98 1adn h SER 59 Ca 0.00 -0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 61.23 1adn h SER 59 Cb 0.18 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1adn h SER 59 CO 0.00 0.51 -0.17 -0.08 -0.87 0.00 0.00 176.83 176.22 1adn h GLU 60 N 0.25 -0.46 0.00 4.77 4.57 -1.81 -0.06 114.58 121.84 1adn h GLU 60 Ca 0.04 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1adn h GLU 60 Cb 0.56 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 1adn h GLU 60 CO 0.04 -0.15 0.11 0.00 -1.18 0.00 0.00 179.01 177.83 1adn h ALA 61 N -0.68 1.09 0.01 2.92 0.00 -1.56 1.20 119.26 122.25 1adn h ALA 61 Ca -0.05 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1adn h ALA 61 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1adn h ALA 61 CO 0.08 -0.09 -0.44 1.25 0.00 0.00 0.00 179.25 180.05 1adn h LEU 62 N 0.00 0.05 -1.87 0.00 6.46 -0.71 -2.12 115.31 117.12 1adn h LEU 62 Ca 0.00 -0.86 0.05 0.00 -0.12 0.00 0.00 57.88 56.94 1adn h LEU 62 Cb 0.23 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 1adn h LEU 62 CO 0.00 1.18 0.43 0.00 -0.62 0.00 0.00 178.44 179.43 1adn h ALA 63 N -0.12 1.67 -0.20 1.25 0.00 0.65 1.05 119.26 123.55 1adn h ALA 63 Ca -0.11 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 1adn h ALA 63 Cb 1.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1adn h ALA 63 CO -0.04 -0.51 -0.46 0.00 0.00 0.00 0.00 179.25 178.24 1adn h ALA 64 N 1.30 0.33 0.00 0.00 0.00 0.13 -3.49 119.26 117.54 1adn h ALA 64 Ca 0.08 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1adn h ALA 64 Cb 0.93 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1adn h ALA 64 CO -0.00 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.13 1adn n GLY 65 N 0.45 1.39 0.00 0.00 0.00 0.36 -5.08 105.19 102.31 1adn n GLY 65 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.28 -1.48 -3.45 1.61 7.35 -0.82 -5.04 117.46 115.35 1adn n PHE 66 Ca 0.00 0.00 -0.40 0.00 -0.76 0.00 0.00 57.45 56.29 1adn n PHE 66 Cb 0.00 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 39.73 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 0.18 3.78 -0.43 -4.13 6.06 -1.26 -4.89 118.95 118.26 1adn s ARG 67 Ca 0.00 -0.28 -0.27 0.00 -2.50 0.00 0.00 55.73 52.68 1adn s ARG 67 Cb 0.00 -3.73 -0.05 0.00 0.06 0.00 0.00 34.95 31.23 1adn s ARG 67 CO 0.00 -0.37 2.23 -1.25 -2.50 0.00 0.00 175.30 173.41 1adn s PRO 68 N 1.95 2.54 -0.48 5.12 0.04 -1.26 -0.69 135.00 142.22 1adn s PRO 68 Ca 0.11 1.45 -0.02 0.00 0.04 0.00 0.00 61.00 62.57 1adn s PRO 68 Cb -0.16 -4.47 0.13 0.00 0.04 0.00 0.00 34.50 30.03 1adn s PRO 68 CO 0.11 -2.78 0.27 0.00 0.04 0.00 0.00 177.00 174.64 1adn n LYS 70 N 4.18 0.00 0.06 0.00 4.81 -1.26 -2.57 118.16 123.39 1adn n LYS 70 Ca 0.01 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.43 1adn n LYS 70 Cb 0.40 -0.01 -0.01 0.00 0.02 0.00 0.00 35.03 35.43 1adn n LYS 70 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 1adn h ARG 71 N 0.00 -0.16 0.00 1.64 1.12 -1.96 -3.41 114.38 111.61 1adn h ARG 71 Ca 0.00 0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.88 1adn h ARG 71 Cb 0.00 0.04 0.00 0.00 -0.01 0.00 0.00 29.97 30.00 1adn h ARG 71 CO 0.00 -0.10 0.00 0.00 -3.11 0.00 0.00 179.97 176.76 1adn n GLN 73 N 0.00 -0.24 -0.52 0.00 3.00 -1.26 -4.73 117.38 113.63 1adn n GLN 73 Ca 0.00 1.26 -0.13 0.00 -0.01 0.00 0.00 57.00 58.12 1adn n GLN 73 Cb 0.00 -1.86 0.13 0.00 0.00 0.00 0.00 30.24 28.51 1adn n GLN 73 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 1adn n PRO 74 N -4.24 -0.96 0.00 -1.09 -0.02 -1.26 -5.10 135.00 122.33 1adn n PRO 74 Ca 0.01 -0.62 0.00 0.00 -2.02 0.00 0.00 63.50 60.87 1adn n PRO 74 Cb 0.14 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 1adn n PRO 74 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1adn n ASP 75 N -0.78 0.00 0.13 2.55 -0.08 -1.26 -5.06 116.55 112.04 1adn n ASP 75 Ca 0.06 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.47 1adn n ASP 75 Cb 0.26 0.00 0.42 0.00 2.34 0.00 0.00 41.12 44.14 1adn n ASP 75 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1adn h LYS 76 N 0.00 0.00 0.00 -0.67 2.10 -2.00 -3.38 116.57 112.62 1adn h LYS 76 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1adn h LYS 76 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1adn h LYS 76 CO 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.45 1adn n ALA 77 N -1.82 0.00 0.00 0.07 0.00 -1.26 -4.77 120.51 112.73 1adn n ALA 77 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1adn n ALA 77 Cb 0.38 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.85 1adn n ALA 77 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1adn n ASN 78 N -0.43 0.00 0.17 0.00 5.03 -1.26 -5.08 115.26 113.69 1adn n ASN 78 Ca 0.00 0.00 0.04 0.00 0.87 0.00 0.00 54.58 55.49 1adn n ASN 78 Cb 0.00 0.00 0.26 0.00 -1.02 0.00 0.00 39.78 39.02 1adn n ASN 78 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 1adn h PRO 79 N 0.00 0.00 0.00 3.52 0.13 -1.86 -3.48 132.00 130.31 1adn h PRO 79 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1adn h PRO 79 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1adn h PRO 79 CO 0.00 0.46 0.00 -2.13 -0.23 0.00 0.00 178.00 176.10 1adn n ARG 80 N -3.56 0.00 -2.67 0.86 0.63 -1.26 -4.67 116.66 105.98 1adn n ARG 80 Ca -0.00 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.91 1adn n ARG 80 Cb 0.56 -0.60 0.00 0.00 0.45 0.00 0.00 32.46 32.87 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 -1.87 -3.04 -3.32 -0.14 6.02 -1.26 -5.00 117.38 108.77 1adn n GLN 81 Ca 0.00 2.51 -0.38 0.00 -0.01 0.00 0.00 57.00 59.12 1adn n GLN 81 Cb 0.00 -5.21 -0.06 0.00 1.02 0.00 0.00 30.24 25.99 1adn n GLN 81 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 177.06 172.67 1adn s HIS 82 N -1.78 3.51 0.00 1.08 -3.43 -1.26 -4.98 115.29 108.43 1adn s HIS 82 Ca 0.06 0.89 0.00 0.00 -0.80 0.00 0.00 55.06 55.21 1adn s HIS 82 Cb -0.02 -2.55 0.00 0.00 -1.43 0.00 0.00 32.58 28.59 1adn s HIS 82 CO 0.73 0.17 0.00 -2.13 -2.00 0.00 0.00 174.74 171.52 1adn n ARG 83 N 3.65 0.00 -3.95 -0.38 3.00 -1.26 -4.82 116.66 112.90 1adn n ARG 83 Ca -0.07 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.48 1adn n ARG 83 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.96 1adn n ARG 83 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1adn n LEU 84 N 0.00 -2.01 -4.85 6.15 4.77 -1.26 -4.96 117.00 114.84 1adn n LEU 84 Ca 0.00 -1.07 -0.34 0.00 -0.03 0.00 0.00 56.01 54.56 1adn n LEU 84 Cb 0.00 -2.12 -0.06 0.00 -2.33 0.00 0.00 43.42 38.91 1adn n LEU 84 CO 0.00 0.49 0.23 -0.62 -1.33 0.00 0.00 177.39 176.15 1adn s ASP 85 N -4.09 6.76 0.20 -1.43 2.15 -1.26 -5.07 116.67 113.93 1adn s ASP 85 Ca 0.16 1.03 -0.30 0.00 0.43 0.00 0.00 52.55 53.86 1adn s ASP 85 Cb -0.07 -2.27 -0.08 0.00 -0.30 0.00 0.00 42.92 40.21 1adn s ASP 85 CO 0.90 0.05 1.07 -1.59 -0.17 0.00 0.00 175.17 175.43 1adn s LYS 86 N -2.21 4.65 0.04 4.34 -2.85 -1.26 -4.94 119.74 117.51 1adn s LYS 86 Ca 0.40 1.68 0.00 0.00 -1.00 0.00 0.00 55.97 57.06 1adn s LYS 86 Cb -0.14 -3.27 0.00 0.00 -2.06 0.00 0.00 37.83 32.36 1adn s LYS 86 CO 0.20 0.18 0.00 1.51 0.10 0.00 0.00 175.35 177.33 1adn n ILE 87 N 2.03 0.07 -4.42 3.79 3.06 -1.26 -5.15 119.36 117.48 1adn n ILE 87 Ca 0.01 0.02 -0.25 0.00 -2.50 0.00 0.00 62.75 60.04 1adn n ILE 87 Cb 0.46 -0.83 -0.11 0.00 0.54 0.00 0.00 39.64 39.70 1adn n ILE 87 CO 0.00 0.00 0.00 0.28 -2.50 0.00 0.00 176.55 174.33 1adn s THR 88 N -2.00 2.28 -0.48 9.51 -1.32 -1.26 -5.13 115.64 117.23 1adn s THR 88 Ca 0.00 -2.12 -0.14 0.00 -1.21 0.00 0.00 61.69 58.22 1adn s THR 88 Cb 0.00 -2.12 0.09 0.00 -1.51 0.00 0.00 72.50 68.96 1adn s THR 88 CO 0.00 -0.24 0.40 -2.28 -2.21 0.00 0.00 174.62 170.29 1adn s HIS 89 N -1.99 3.28 0.00 9.09 2.46 -1.26 -4.98 115.29 121.88 1adn s HIS 89 Ca 0.22 -1.21 0.00 0.00 0.47 0.00 0.00 55.06 54.55 1adn s HIS 89 Cb -0.07 -3.35 0.00 0.00 -0.13 0.00 0.00 32.58 29.03 1adn s HIS 89 CO 0.11 -0.89 0.00 0.00 -2.47 0.00 0.00 174.74 171.49 1adn n ALA 90 N 5.15 0.00 -1.36 1.58 0.00 -1.26 -5.05 120.51 119.57 1adn n ALA 90 Ca -0.12 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.03 1adn n ALA 90 Cb 0.42 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.98 1adn n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50