#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1adn h LYS 2 N 0.00 0.61 -6.39 0.03 3.64 -2.12 -3.47 116.57 108.87 1adn h LYS 2 Ca 0.00 -0.58 -0.63 0.00 -1.27 0.00 0.00 60.65 58.17 1adn h LYS 2 Cb 0.00 0.15 0.08 0.00 -0.41 0.00 0.00 32.23 32.04 1adn h LYS 2 CO 0.00 1.19 0.39 1.63 -2.27 0.00 0.00 179.45 180.40 1adn n LYS 3 N -4.05 1.41 -2.36 1.90 4.76 -1.26 -4.91 118.16 113.65 1adn n LYS 3 Ca -0.09 0.50 -0.42 0.00 -2.87 0.00 0.00 58.31 55.43 1adn n LYS 3 Cb 0.74 -2.07 -0.03 0.00 -1.84 0.00 0.00 35.03 31.83 1adn n LYS 3 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1adn s ALA 4 N -0.03 3.56 0.00 7.82 0.00 -1.26 -4.89 121.76 126.96 1adn s ALA 4 Ca 0.74 0.68 0.00 0.00 0.00 0.00 0.00 51.96 53.37 1adn s ALA 4 Cb -0.81 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 18.74 1adn s ALA 4 CO 0.50 -0.93 0.39 -2.37 0.00 0.00 0.00 175.76 173.35 1adn n THR 5 N 4.84 0.10 -2.79 0.00 5.66 -1.26 -5.05 114.28 115.78 1adn n THR 5 Ca 0.13 -0.13 -0.43 0.00 -3.05 0.00 0.00 64.05 60.57 1adn n THR 5 Cb 0.45 1.28 -0.03 0.00 -1.55 0.00 0.00 70.33 70.48 1adn n THR 5 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1adn s LEU 7 N 3.62 3.17 0.10 0.00 1.02 -1.26 -4.16 118.68 121.17 1adn s LEU 7 Ca 0.36 0.47 0.00 0.00 0.02 0.00 0.00 54.13 54.98 1adn s LEU 7 Cb -0.04 -2.53 0.00 0.00 0.02 0.00 0.00 46.19 43.64 1adn s LEU 7 CO -0.08 -3.20 0.00 0.41 0.02 0.00 0.00 176.35 173.50 1adn n THR 8 N 8.21 0.00 -0.21 5.49 -1.04 -1.26 -4.94 114.28 120.52 1adn n THR 8 Ca 0.39 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 62.35 1adn n THR 8 Cb 0.50 -0.06 0.11 0.00 -1.82 0.00 0.00 70.33 69.06 1adn n THR 8 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1adn h ASP 9 N 0.00 0.96 0.21 8.00 3.32 -2.00 0.11 116.42 127.03 1adn h ASP 9 Ca 0.00 -0.17 -0.27 0.00 0.02 0.00 0.00 57.03 56.61 1adn h ASP 9 Cb 0.00 -0.25 0.02 0.00 0.22 0.00 0.00 39.33 39.32 1adn h ASP 9 CO 0.00 0.90 -1.12 -0.78 -1.72 0.00 0.00 179.24 176.53 1adn h ASP 10 N 0.99 0.75 0.11 6.45 3.58 -1.94 0.11 116.42 126.47 1adn h ASP 10 Ca 0.22 -0.65 -0.01 0.00 0.42 0.00 0.00 57.03 57.01 1adn h ASP 10 Cb 0.29 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.11 1adn h ASP 10 CO -0.01 1.46 -0.05 0.06 -2.88 0.00 0.00 179.24 177.82 1adn h GLN 11 N 0.27 -0.14 -0.91 0.28 3.07 -1.91 0.24 115.11 116.00 1adn h GLN 11 Ca -0.14 0.01 0.09 0.00 0.09 0.00 0.00 58.65 58.70 1adn h GLN 11 Cb 1.78 0.03 -0.12 0.00 0.08 0.00 0.00 27.48 29.25 1adn h GLN 11 CO 0.21 -0.00 -0.56 0.00 0.09 0.00 0.00 178.83 178.56 1adn h ARG 12 N -0.25 -0.06 0.00 0.06 -0.00 -0.79 -2.49 114.38 110.86 1adn h ARG 12 Ca -0.01 0.00 -0.14 0.00 -0.50 0.00 0.00 59.98 59.33 1adn h ARG 12 Cb 0.20 0.01 -0.02 0.00 0.00 0.00 0.00 29.97 30.17 1adn h ARG 12 CO 0.02 -0.04 -0.66 2.35 0.00 0.00 0.00 179.97 181.65 1adn h TRP 13 N -0.06 0.00 -0.05 3.04 2.91 -0.70 -0.98 115.95 120.11 1adn h TRP 13 Ca 0.17 0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.20 1adn h TRP 13 Cb 0.46 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.11 1adn h TRP 13 CO -0.97 0.66 0.08 0.37 -1.03 0.00 0.00 178.44 177.55 1adn h GLN 14 N 0.00 0.00 -0.26 2.65 4.15 -0.35 0.24 115.11 121.54 1adn h GLN 14 Ca -0.01 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.30 1adn h GLN 14 Cb 1.42 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.11 1adn h GLN 14 CO 0.09 0.00 -0.29 0.77 -1.93 0.00 0.00 178.83 177.46 1adn h SER 15 N 0.00 0.71 0.23 -0.69 0.02 -0.72 0.15 113.55 113.24 1adn h SER 15 Ca 0.02 -0.49 0.01 0.00 -0.84 0.00 0.00 61.79 60.50 1adn h SER 15 Cb 0.18 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 1adn h SER 15 CO -0.00 1.05 -0.28 0.58 -1.14 0.00 0.00 176.83 177.04 1adn h VAL 16 N 0.38 0.40 -0.61 2.27 2.07 -0.42 -2.63 116.25 117.72 1adn h VAL 16 Ca 0.04 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.68 1adn h VAL 16 Cb 0.86 0.40 -0.10 0.00 -1.52 0.00 0.00 31.29 30.94 1adn h VAL 16 CO 0.07 0.00 0.04 -0.07 0.02 0.00 0.00 177.57 177.63 1adn h LEU 17 N -0.56 -0.19 -5.38 2.57 3.38 -0.75 -2.91 115.31 111.47 1adn h LEU 17 Ca 0.00 0.14 -0.69 0.00 0.09 0.00 0.00 57.88 57.42 1adn h LEU 17 Cb 0.54 0.23 -0.10 0.00 0.09 0.00 0.00 40.66 41.43 1adn h LEU 17 CO -0.09 -0.08 2.46 0.00 0.09 0.00 0.00 178.44 180.82 1adn n ALA 18 N -2.73 6.93 -0.24 1.53 0.00 0.52 -4.79 120.51 121.73 1adn n ALA 18 Ca 0.09 -3.83 0.21 0.00 0.00 0.00 0.00 53.44 49.91 1adn n ALA 18 Cb 0.35 -2.83 0.35 0.00 0.00 0.00 0.00 19.45 17.32 1adn n ALA 18 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1adn n ARG 19 N 2.04 -0.02 -1.41 0.00 -4.01 -1.07 -4.46 116.66 107.73 1adn n ARG 19 Ca 0.64 0.69 -0.48 0.00 -1.04 0.00 0.00 57.85 57.65 1adn n ARG 19 Cb 0.29 -1.33 -0.12 0.00 -3.04 0.00 0.00 32.46 28.26 1adn n ARG 19 CO 0.00 0.00 0.00 -3.47 -3.04 0.00 0.00 177.63 171.12 1adn n ASP 20 N -3.83 0.86 -2.77 2.89 2.03 -1.26 -4.59 116.55 109.88 1adn n ASP 20 Ca 0.21 0.33 0.00 0.00 0.52 0.00 0.00 54.79 55.85 1adn n ASP 20 Cb 0.81 -1.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.20 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 8.16 0.00 -0.05 -0.67 -0.02 -1.26 -4.75 135.00 136.40 1adn n PRO 21 Ca 0.57 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 62.02 1adn n PRO 21 Cb 0.08 -0.69 -0.01 0.00 -0.02 0.00 0.00 33.50 32.85 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 5.68 0.00 -1.09 2.55 -1.24 -1.82 -3.45 115.58 116.21 1adn h ASN 22 Ca 0.00 0.00 -0.43 0.00 0.71 0.00 0.00 56.30 56.58 1adn h ASN 22 Cb 0.56 0.00 -0.41 0.00 0.73 0.00 0.00 38.32 39.20 1adn h ASN 22 CO 0.56 0.51 -1.02 0.00 -1.29 0.00 0.00 177.43 176.19 1adn n ALA 23 N -3.12 3.97 0.29 1.57 0.00 -1.26 -4.96 120.51 117.00 1adn n ALA 23 Ca -0.04 -3.52 -0.14 0.00 0.00 0.00 0.00 53.44 49.74 1adn n ALA 23 Cb 0.16 -0.76 -0.07 0.00 0.00 0.00 0.00 19.45 18.77 1adn n ALA 23 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1adn h ASP 24 N 2.77 -0.65 0.00 0.00 5.19 -1.88 -2.99 116.42 118.87 1adn h ASP 24 Ca 0.06 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 1adn h ASP 24 Cb 1.13 0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.81 1adn h ASP 24 CO 0.60 -0.28 0.00 0.61 -3.12 0.00 0.00 179.24 177.05 1adn n GLY 25 N -0.53 -0.92 0.62 2.75 0.00 -1.26 -2.50 105.19 103.35 1adn n GLY 25 Ca -0.11 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.70 1.23 -3.86 1.61 4.07 -1.17 -4.97 120.64 116.85 1adn n GLU 26 Ca 0.09 -1.46 -0.07 0.00 -0.06 0.00 0.00 57.16 55.65 1adn n GLU 26 Cb 0.04 -1.29 -0.02 0.00 -0.06 0.00 0.00 31.44 30.11 1adn n GLU 26 CO 0.00 0.00 0.00 -0.59 -0.06 0.00 0.00 177.13 176.48 1adn s PHE 27 N -1.23 -0.10 0.04 4.31 -0.71 -1.04 -4.51 117.98 114.73 1adn s PHE 27 Ca 0.19 -0.39 -0.03 0.00 -1.04 0.00 0.00 56.93 55.67 1adn s PHE 27 Cb 0.13 0.69 -0.02 0.00 -1.21 0.00 0.00 43.02 42.60 1adn s PHE 27 CO 0.19 -1.27 0.02 0.14 -1.34 0.00 0.00 175.22 172.96 1adn s VAL 28 N -3.68 0.16 -0.02 -2.49 -7.23 0.28 -4.57 120.40 102.84 1adn s VAL 28 Ca 0.13 -1.28 0.01 0.00 -1.81 0.00 0.00 61.98 59.02 1adn s VAL 28 Cb -0.05 -0.94 0.01 0.00 0.56 0.00 0.00 36.38 35.96 1adn s VAL 28 CO 0.08 -0.71 -0.04 0.72 -0.31 0.00 0.00 175.10 174.84 1adn s PHE 29 N -2.75 0.51 -0.30 2.82 -0.71 0.12 -0.75 117.98 116.92 1adn s PHE 29 Ca -0.04 -0.10 0.01 0.00 -1.04 0.00 0.00 56.93 55.76 1adn s PHE 29 Cb -0.00 -0.40 0.09 0.00 -1.21 0.00 0.00 43.02 41.49 1adn s PHE 29 CO -0.06 -0.07 0.05 0.00 -1.34 0.00 0.00 175.22 173.81 1adn s ALA 30 N 0.30 2.01 -0.51 1.99 0.00 0.48 -0.37 121.76 125.67 1adn s ALA 30 Ca -0.03 -1.83 -0.18 0.00 0.00 0.00 0.00 51.96 49.92 1adn s ALA 30 Cb -0.07 -1.67 0.07 0.00 0.00 0.00 0.00 23.12 21.45 1adn s ALA 30 CO -0.00 -1.56 0.55 0.54 0.00 0.00 0.00 175.76 175.29 1adn s VAL 31 N 1.37 5.00 -0.15 0.00 0.11 -1.02 0.50 120.40 126.21 1adn s VAL 31 Ca 0.07 -0.81 0.01 0.00 -2.93 0.00 0.00 61.98 58.31 1adn s VAL 31 Cb -0.18 -4.27 0.19 0.00 -1.53 0.00 0.00 36.38 30.58 1adn s VAL 31 CO -0.16 -0.78 1.41 -2.11 -3.33 0.00 0.00 175.10 170.13 1adn n ARG 32 N 5.82 1.40 -0.12 1.54 1.85 -1.08 -2.24 116.66 123.83 1adn n ARG 32 Ca -0.09 -0.92 -0.18 0.00 -1.00 0.00 0.00 57.85 55.66 1adn n ARG 32 Cb 0.44 -1.36 -0.10 0.00 -1.05 0.00 0.00 32.46 30.39 1adn n ARG 32 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 1adn n THR 33 N 0.14 1.33 -0.04 8.89 5.66 -1.26 -4.63 114.28 124.37 1adn n THR 33 Ca 0.18 -0.48 0.04 0.00 -3.05 0.00 0.00 64.05 60.75 1adn n THR 33 Cb 0.80 -1.41 -0.16 0.00 -1.55 0.00 0.00 70.33 68.01 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 -3.34 0.43 -0.55 1.09 -1.04 -1.25 -5.08 114.28 104.55 1adn n THR 34 Ca -0.42 -0.60 0.00 0.00 -2.04 0.00 0.00 64.05 60.99 1adn n THR 34 Cb 0.92 -0.14 0.00 0.00 -1.82 0.00 0.00 70.33 69.29 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 1.44 0.78 2.92 3.41 0.00 -0.95 -5.15 105.19 107.65 1adn n GLY 35 Ca -0.13 -0.50 -0.18 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.13 0.46 -0.68 -0.61 -0.00 -1.19 -4.44 121.20 112.62 1adn s ILE 36 Ca 0.00 -0.16 -0.13 0.00 -0.00 0.00 0.00 60.65 60.36 1adn s ILE 36 Cb 0.00 -0.45 0.18 0.00 -0.00 0.00 0.00 42.46 42.19 1adn s ILE 36 CO 0.00 0.17 0.60 0.72 -0.00 0.00 0.00 174.94 176.43 1adn s PHE 37 N 0.41 3.54 0.34 1.37 -0.12 0.77 -2.43 117.98 121.86 1adn s PHE 37 Ca -0.05 -1.88 0.09 0.00 -0.05 0.00 0.00 56.93 55.04 1adn s PHE 37 Cb -0.09 -3.70 -0.05 0.00 -0.63 0.00 0.00 43.02 38.55 1adn s PHE 37 CO -0.00 -0.98 0.02 0.00 -0.05 0.00 0.00 175.22 174.21 1adn s ARG 39 N -3.72 3.05 0.00 0.00 0.52 -1.07 0.14 118.95 117.88 1adn s ARG 39 Ca 0.35 1.41 0.00 0.00 -0.52 0.00 0.00 55.73 56.97 1adn s ARG 39 Cb 0.00 -1.98 0.00 0.00 0.52 0.00 0.00 34.95 33.49 1adn s ARG 39 CO 0.19 -1.05 0.00 -2.30 0.02 0.00 0.00 175.30 172.16 1adn n PRO 40 N -2.04 0.00 0.00 3.54 -0.02 -1.26 -4.51 135.00 130.70 1adn n PRO 40 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1adn n PRO 40 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 1adn n PRO 40 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1adn n SER 41 N 0.00 0.00 -4.76 2.55 7.64 -1.26 -4.96 113.62 112.83 1adn n SER 41 Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.55 1adn n SER 41 Cb 0.00 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.27 1adn n SER 41 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1adn n ARG 43 N -2.76 1.13 -0.94 0.00 1.74 -1.26 -4.76 116.66 109.81 1adn n ARG 43 Ca 0.10 -0.01 -0.13 0.00 -0.77 0.00 0.00 57.85 57.04 1adn n ARG 43 Cb 0.52 -1.34 0.09 0.00 -1.02 0.00 0.00 32.46 30.71 1adn n ARG 43 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1adn n ALA 44 N -1.44 -0.65 -1.51 7.54 0.00 -1.26 -4.90 120.51 118.29 1adn n ALA 44 Ca 0.03 -0.82 -0.32 0.00 0.00 0.00 0.00 53.44 52.33 1adn n ALA 44 Cb 0.28 -0.03 -0.15 0.00 0.00 0.00 0.00 19.45 19.56 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 -2.28 0.20 -3.81 0.00 3.00 -1.26 -4.89 116.66 107.62 1adn n ARG 45 Ca 0.08 -0.08 -0.29 0.00 -0.01 0.00 0.00 57.85 57.54 1adn n ARG 45 Cb 0.27 -1.83 -0.04 0.00 0.00 0.00 0.00 32.46 30.86 1adn n ARG 45 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 1adn s HIS 46 N 7.28 3.49 0.34 -1.55 5.65 -1.26 -5.08 115.29 124.16 1adn s HIS 46 Ca 1.25 0.32 0.07 0.00 0.25 0.00 0.00 55.06 56.95 1adn s HIS 46 Cb -0.87 -1.83 -0.01 0.00 -1.18 0.00 0.00 32.58 28.69 1adn s HIS 46 CO 0.44 0.49 0.47 0.00 -0.65 0.00 0.00 174.74 175.49 1adn s ALA 47 N -1.67 4.25 1.00 1.58 0.00 -1.26 -5.13 121.76 120.53 1adn s ALA 47 Ca 0.37 -1.49 -0.14 0.00 0.00 0.00 0.00 51.96 50.71 1adn s ALA 47 Cb -0.12 -1.65 0.19 0.00 0.00 0.00 0.00 23.12 21.54 1adn s ALA 47 CO 0.27 -0.05 1.13 -0.51 0.00 0.00 0.00 175.76 176.60 1adn s LEU 48 N -4.18 1.64 0.18 0.00 1.02 -1.26 -4.95 118.68 111.13 1adn s LEU 48 Ca 0.46 0.93 0.20 0.00 0.02 0.00 0.00 54.13 55.74 1adn s LEU 48 Cb -0.09 -3.06 0.87 0.00 0.02 0.00 0.00 46.19 43.92 1adn s LEU 48 CO 0.31 -3.09 1.62 -2.11 0.02 0.00 0.00 176.35 173.10 1adn n ARG 49 N -4.11 0.13 -0.17 1.70 1.85 -1.26 -3.69 116.66 111.11 1adn n ARG 49 Ca 0.08 0.39 0.05 0.00 -1.00 0.00 0.00 57.85 57.37 1adn n ARG 49 Cb 0.59 -1.77 0.13 0.00 -1.05 0.00 0.00 32.46 30.36 1adn n ARG 49 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1adn n GLU 50 N -2.02 1.77 -0.32 2.89 0.28 -1.26 -2.87 120.64 119.11 1adn n GLU 50 Ca 0.02 -1.09 0.01 0.00 -0.16 0.00 0.00 57.16 55.95 1adn n GLU 50 Cb 0.19 -1.28 0.02 0.00 1.43 0.00 0.00 31.44 31.80 1adn n GLU 50 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1adn n ASN 51 N 0.36 0.35 -4.82 -1.84 2.04 -1.24 -5.14 115.26 104.97 1adn n ASN 51 Ca 0.10 -1.90 -0.30 0.00 -0.44 0.00 0.00 54.58 52.04 1adn n ASN 51 Cb 0.29 -0.17 -0.06 0.00 -2.53 0.00 0.00 39.78 37.31 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 -0.37 4.76 -0.01 3.53 0.11 -1.14 -2.62 120.40 124.66 1adn s VAL 52 Ca 0.04 -0.71 0.02 0.00 -2.93 0.00 0.00 61.98 58.39 1adn s VAL 52 Cb 0.03 -3.32 -0.00 0.00 -1.53 0.00 0.00 36.38 31.56 1adn s VAL 52 CO 0.00 0.09 -0.07 -0.55 -3.33 0.00 0.00 175.10 171.24 1adn s SER 53 N -2.54 0.91 -0.01 3.54 0.15 0.18 -4.86 113.70 111.06 1adn s SER 53 Ca 0.31 -0.14 0.08 0.00 0.70 0.00 0.00 55.95 56.90 1adn s SER 53 Cb -0.12 -0.16 -0.02 0.00 -1.71 0.00 0.00 66.02 64.01 1adn s SER 53 CO 0.24 0.07 -0.26 -0.36 1.20 0.00 0.00 173.24 174.13 1adn s PHE 54 N -0.00 2.29 0.06 3.44 0.08 -1.26 0.18 117.98 122.76 1adn s PHE 54 Ca 0.00 -0.43 0.01 0.00 0.12 0.00 0.00 56.93 56.63 1adn s PHE 54 Cb -0.05 -1.46 -0.03 0.00 -0.57 0.00 0.00 43.02 40.91 1adn s PHE 54 CO -0.00 -0.02 -0.05 0.71 -0.10 0.00 0.00 175.22 175.76 1adn s TYR 55 N -0.62 0.61 0.34 0.36 2.02 0.07 -4.95 117.35 115.17 1adn s TYR 55 Ca 0.10 -0.83 0.01 0.00 -0.37 0.00 0.00 57.07 55.98 1adn s TYR 55 Cb -0.10 -0.39 0.59 0.00 -0.40 0.00 0.00 41.96 41.65 1adn s TYR 55 CO -0.01 -0.23 1.98 0.00 -1.57 0.00 0.00 175.55 175.73 1adn h ALA 56 N 3.58 1.49 -2.66 3.71 0.00 -1.88 0.81 119.26 124.31 1adn h ALA 56 Ca -0.34 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 1adn h ALA 56 Cb 1.17 -0.26 -0.14 0.00 0.00 0.00 0.00 17.79 18.56 1adn h ALA 56 CO 0.57 0.45 -0.14 1.21 0.00 0.00 0.00 179.25 181.34 1adn s ASN 57 N -6.47 -0.18 0.53 0.00 3.84 -1.26 -2.58 114.94 108.82 1adn s ASN 57 Ca -0.10 -0.30 0.20 0.00 0.21 0.00 0.00 52.86 52.87 1adn s ASN 57 Cb 0.17 0.44 1.41 0.00 -0.55 0.00 0.00 41.25 42.72 1adn s ASN 57 CO 0.77 -0.78 2.16 0.00 -2.79 0.00 0.00 177.10 176.46 1adn h ALA 58 N 2.60 1.82 -0.46 1.71 0.00 -1.92 -2.21 119.26 120.79 1adn h ALA 58 Ca -0.33 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.57 1adn h ALA 58 Cb 1.23 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1adn h ALA 58 CO 0.48 0.03 0.30 0.77 0.00 0.00 0.00 179.25 180.83 1adn h SER 59 N 0.00 0.50 0.39 0.00 0.02 -1.98 0.23 113.55 112.70 1adn h SER 59 Ca -0.00 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1adn h SER 59 Cb 0.04 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1adn h SER 59 CO 0.00 0.36 -0.19 -0.08 -1.14 0.00 0.00 176.83 175.78 1adn h GLU 60 N 0.58 -0.50 -0.36 3.45 4.57 -1.82 0.13 114.58 120.64 1adn h GLU 60 Ca 0.17 0.03 0.10 0.00 -1.18 0.00 0.00 59.36 58.49 1adn h GLU 60 Cb -0.01 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 1adn h GLU 60 CO -0.04 -0.20 0.29 0.00 -1.18 0.00 0.00 179.01 177.88 1adn h ALA 61 N -0.35 2.23 -0.20 2.92 0.00 -1.49 1.01 119.26 123.38 1adn h ALA 61 Ca -0.05 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.65 1adn h ALA 61 Cb 0.53 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.36 1adn h ALA 61 CO 0.09 -0.48 -0.64 -0.07 0.00 0.00 0.00 179.25 178.15 1adn h LEU 62 N 0.00 0.90 -2.04 0.00 4.07 -0.51 -1.52 115.31 116.21 1adn h LEU 62 Ca 0.17 -0.59 0.09 0.00 0.08 0.00 0.00 57.88 57.63 1adn h LEU 62 Cb 0.75 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 42.22 1adn h LEU 62 CO -0.00 1.34 0.24 0.00 -1.08 0.00 0.00 178.44 178.94 1adn h ALA 63 N 0.59 2.23 -0.14 1.53 0.00 0.23 0.44 119.26 124.13 1adn h ALA 63 Ca -0.02 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1adn h ALA 63 Cb 1.26 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1adn h ALA 63 CO 0.14 -0.41 -0.38 0.00 0.00 0.00 0.00 179.25 178.59 1adn h ALA 64 N 1.81 1.08 -0.03 0.00 0.00 0.11 -3.48 119.26 118.75 1adn h ALA 64 Ca 0.15 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1adn h ALA 64 Cb 0.64 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1adn h ALA 64 CO -0.00 0.59 0.00 0.41 0.00 0.00 0.00 179.25 180.25 1adn n GLY 65 N -0.20 1.58 1.30 0.00 0.00 0.15 -5.08 105.19 102.94 1adn n GLY 65 Ca -0.01 -0.10 -0.07 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.08 -2.22 -3.42 1.61 7.35 -0.65 -5.03 117.46 114.03 1adn n PHE 66 Ca 0.00 -0.73 -0.39 0.00 -0.76 0.00 0.00 57.45 55.56 1adn n PHE 66 Cb 0.06 -0.17 -0.09 0.00 0.35 0.00 0.00 39.48 39.62 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 -2.84 3.94 -0.58 -4.13 3.00 -1.26 -4.79 118.95 112.29 1adn s ARG 67 Ca 0.17 -0.07 -0.26 0.00 -1.00 0.00 0.00 55.73 54.56 1adn s ARG 67 Cb -0.01 -3.68 -0.08 0.00 0.00 0.00 0.00 34.95 31.18 1adn s ARG 67 CO 0.11 -0.30 2.33 -1.25 0.00 0.00 0.00 175.30 176.18 1adn s PRO 68 N 2.03 2.07 -0.43 5.12 0.04 -1.26 -0.16 135.00 142.40 1adn s PRO 68 Ca 0.13 1.08 -0.06 0.00 0.04 0.00 0.00 61.00 62.19 1adn s PRO 68 Cb -0.16 -4.62 0.11 0.00 0.04 0.00 0.00 34.50 29.87 1adn s PRO 68 CO 0.10 -3.45 0.26 0.00 0.04 0.00 0.00 177.00 173.96 1adn n LYS 70 N 4.77 0.00 0.00 0.00 4.76 -1.26 -2.59 118.16 123.84 1adn n LYS 70 Ca -0.06 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 1adn n LYS 70 Cb 0.41 -0.33 0.00 0.00 -1.84 0.00 0.00 35.03 33.28 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 -1.37 0.00 0.00 1.97 1.74 -1.26 -4.63 116.66 113.11 1adn n ARG 71 Ca 0.00 0.40 0.00 0.00 -0.77 0.00 0.00 57.85 57.48 1adn n ARG 71 Cb 0.00 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 1adn n ARG 71 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1adn n GLN 73 N 0.00 0.01 0.00 0.00 1.13 -1.26 -4.91 117.38 112.35 1adn n GLN 73 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1adn n GLN 73 Cb 0.00 -1.51 0.00 0.00 0.11 0.00 0.00 30.24 28.84 1adn n GLN 73 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1adn n PRO 74 N 6.93 0.00 -2.60 -1.09 -0.04 -1.26 -4.95 135.00 131.98 1adn n PRO 74 Ca 0.51 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.92 1adn n PRO 74 Cb -0.04 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.42 1adn n PRO 74 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1adn n ASP 75 N 0.00 -7.05 -0.00 3.54 2.03 -1.26 -5.01 116.55 108.80 1adn n ASP 75 Ca 0.00 0.68 -0.10 0.00 0.52 0.00 0.00 54.79 55.90 1adn n ASP 75 Cb 0.00 -4.70 -0.14 0.00 -0.72 0.00 0.00 41.12 35.56 1adn n ASP 75 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1adn h LYS 76 N 1.95 0.03 0.00 -0.67 5.09 -2.02 -3.46 116.57 117.49 1adn h LYS 76 Ca 0.00 -0.05 -0.07 0.00 0.09 0.00 0.00 60.65 60.62 1adn h LYS 76 Cb 0.59 0.02 -0.11 0.00 0.10 0.00 0.00 32.23 32.83 1adn h LYS 76 CO 0.14 0.65 0.08 0.00 -2.09 0.00 0.00 179.45 178.23 1adn n ALA 77 N -2.56 -3.58 -3.70 0.07 0.00 -1.26 -5.06 120.51 104.42 1adn n ALA 77 Ca -0.15 -0.24 -0.28 0.00 0.00 0.00 0.00 53.44 52.77 1adn n ALA 77 Cb 1.03 -3.39 0.01 0.00 0.00 0.00 0.00 19.45 17.10 1adn n ALA 77 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1adn n ASN 78 N 0.94 -4.80 -4.36 0.00 6.94 -1.26 -4.86 115.26 107.85 1adn n ASN 78 Ca -0.04 -0.79 -0.42 0.00 -0.02 0.00 0.00 54.58 53.32 1adn n ASN 78 Cb 0.74 -1.55 0.00 0.00 -2.36 0.00 0.00 39.78 36.62 1adn n ASN 78 CO 0.00 0.00 0.00 -2.65 -1.03 0.00 0.00 177.26 173.58 1adn n PRO 79 N -2.06 0.22 -1.45 -0.53 -0.02 -1.26 -4.85 135.00 125.06 1adn n PRO 79 Ca -0.27 0.08 0.19 0.00 -2.02 0.00 0.00 63.50 61.48 1adn n PRO 79 Cb 0.68 -1.22 -0.06 0.00 -0.02 0.00 0.00 33.50 32.88 1adn n PRO 79 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1adn n ARG 80 N 1.00 -3.02 -0.21 -0.52 3.00 -1.26 -4.88 116.66 110.77 1adn n ARG 80 Ca 0.11 2.13 -0.09 0.00 -0.01 0.00 0.00 57.85 60.00 1adn n ARG 80 Cb 0.40 -3.65 0.09 0.00 0.00 0.00 0.00 32.46 29.30 1adn n ARG 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1adn n GLN 81 N -4.27 -1.27 0.01 5.56 1.13 -1.26 -5.00 117.38 112.29 1adn n GLN 81 Ca -0.02 -0.43 -0.18 0.00 -1.94 0.00 0.00 57.00 54.44 1adn n GLN 81 Cb 0.68 -0.76 -0.14 0.00 0.11 0.00 0.00 30.24 30.13 1adn n GLN 81 CO 0.00 0.00 0.00 1.12 -1.44 0.00 0.00 177.06 176.74 1adn h HIS 82 N -2.29 0.36 -4.17 1.08 2.07 -1.94 -3.51 115.15 106.75 1adn h HIS 82 Ca -0.12 -0.26 0.00 0.00 -2.85 0.00 0.00 60.37 57.14 1adn h HIS 82 Cb 0.39 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 30.36 1adn h HIS 82 CO 0.00 1.20 -0.84 -2.13 -3.07 0.00 0.00 177.93 173.09 1adn n ARG 83 N -4.29 -4.62 -1.22 5.12 0.63 -1.26 -4.97 116.66 106.05 1adn n ARG 83 Ca -0.12 3.39 0.00 0.00 -0.92 0.00 0.00 57.85 60.20 1adn n ARG 83 Cb 0.70 -3.97 0.00 0.00 0.45 0.00 0.00 32.46 29.64 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 1.60 -1.62 -2.70 6.15 4.32 -1.26 -5.09 117.00 118.40 1adn n LEU 84 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 56.01 55.93 1adn n LEU 84 Cb 0.00 -0.61 0.08 0.00 -1.62 0.00 0.00 43.42 41.28 1adn n LEU 84 CO 0.00 0.00 0.48 -0.67 -1.22 0.00 0.00 177.39 175.98 1adn n ASP 85 N -1.01 -1.91 -3.82 -1.43 -0.08 -1.26 -5.19 116.55 101.85 1adn n ASP 85 Ca 0.00 -2.60 -0.10 0.00 -1.51 0.00 0.00 54.79 50.57 1adn n ASP 85 Cb 0.41 1.37 -0.05 0.00 2.34 0.00 0.00 41.12 45.19 1adn n ASP 85 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 1adn s LYS 86 N 0.27 1.62 0.00 -0.67 0.00 -1.26 -5.14 119.74 114.56 1adn s LYS 86 Ca 0.25 -1.40 0.00 0.00 0.00 0.00 0.00 55.97 54.82 1adn s LYS 86 Cb 0.25 0.45 0.00 0.00 0.00 0.00 0.00 37.83 38.54 1adn s LYS 86 CO -0.15 -0.67 0.00 1.51 0.00 0.00 0.00 175.35 176.05 1adn n ILE 87 N -0.41 0.00 -3.55 3.79 0.13 -1.26 -5.10 119.36 112.96 1adn n ILE 87 Ca -0.01 0.00 -0.29 0.00 -1.10 0.00 0.00 62.75 61.35 1adn n ILE 87 Cb 0.62 -0.11 -0.13 0.00 -0.84 0.00 0.00 39.64 39.18 1adn n ILE 87 CO 0.00 0.00 0.00 0.42 2.80 0.00 0.00 176.55 179.77 1adn s THR 88 N -0.48 0.35 -0.28 9.51 -4.23 -1.26 -4.97 115.64 114.28 1adn s THR 88 Ca 0.00 -1.55 0.10 0.00 -1.18 0.00 0.00 61.69 59.06 1adn s THR 88 Cb 0.00 -1.27 0.51 0.00 1.34 0.00 0.00 72.50 73.08 1adn s THR 88 CO 0.00 -0.87 1.47 1.57 -0.54 0.00 0.00 174.62 176.25 1adn n HIS 89 N 4.38 1.13 -4.01 3.99 -0.00 -1.26 -5.00 115.22 114.45 1adn n HIS 89 Ca 0.05 -1.50 -0.29 0.00 0.46 0.00 0.00 57.72 56.44 1adn n HIS 89 Cb 0.38 -0.48 -0.03 0.00 -0.12 0.00 0.00 29.99 29.75 1adn n HIS 89 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1adn n ALA 90 N -1.04 -2.14 0.18 1.57 0.00 -1.26 -4.78 120.51 113.03 1adn n ALA 90 Ca 0.32 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1adn n ALA 90 Cb 1.04 -1.80 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1adn n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50