#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 2.98 -1.00 2.12 4.81 -1.26 -5.09 118.16 120.72 1adn n LYS 2 Ca 0.00 -4.02 -0.15 0.00 -0.87 0.00 0.00 58.31 53.27 1adn n LYS 2 Cb 0.00 -2.05 0.10 0.00 0.02 0.00 0.00 35.03 33.10 1adn n LYS 2 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1adn n LYS 3 N -0.59 -0.62 -2.58 1.64 5.02 -1.26 -5.01 118.16 114.76 1adn n LYS 3 Ca 0.32 -1.07 -0.43 0.00 -2.02 0.00 0.00 58.31 55.12 1adn n LYS 3 Cb 0.86 -0.68 -0.02 0.00 -0.02 0.00 0.00 35.03 35.17 1adn n LYS 3 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1adn s ALA 4 N -3.93 3.29 0.71 7.82 0.00 -1.26 -5.01 121.76 123.37 1adn s ALA 4 Ca 0.38 -0.25 -0.16 0.00 0.00 0.00 0.00 51.96 51.93 1adn s ALA 4 Cb -0.01 -3.81 -0.06 0.00 0.00 0.00 0.00 23.12 19.24 1adn s ALA 4 CO 0.27 -1.95 0.41 2.41 0.00 0.00 0.00 175.76 176.89 1adn n THR 5 N 6.46 1.56 -1.13 0.00 -1.04 -1.26 -5.03 114.28 113.84 1adn n THR 5 Ca 0.13 -0.42 -0.02 0.00 -2.04 0.00 0.00 64.05 61.70 1adn n THR 5 Cb 0.48 -0.63 0.01 0.00 -1.82 0.00 0.00 70.33 68.37 1adn n THR 5 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1adn n LEU 7 N 0.00 1.23 -4.73 0.00 4.32 -1.26 -4.88 117.00 111.68 1adn n LEU 7 Ca 0.01 0.05 -0.41 0.00 -0.02 0.00 0.00 56.01 55.64 1adn n LEU 7 Cb 0.03 -1.17 -0.04 0.00 -1.62 0.00 0.00 43.42 40.62 1adn n LEU 7 CO 0.02 -0.98 0.75 0.42 -1.22 0.00 0.00 177.39 176.39 1adn s THR 8 N 9.45 4.11 0.59 -5.08 -4.23 -1.26 -4.94 115.64 114.29 1adn s THR 8 Ca 1.19 1.78 0.29 0.00 -1.18 0.00 0.00 61.69 63.77 1adn s THR 8 Cb -0.89 -4.14 0.37 0.00 1.34 0.00 0.00 72.50 69.18 1adn s THR 8 CO 0.44 0.29 1.98 0.44 -0.54 0.00 0.00 174.62 177.22 1adn h ASP 9 N 5.36 0.00 -0.03 3.99 5.19 -2.00 -2.31 116.42 126.62 1adn h ASP 9 Ca -0.44 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 55.97 1adn h ASP 9 Cb 1.21 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.72 1adn h ASP 9 CO 0.73 0.00 -0.01 -0.78 -3.12 0.00 0.00 179.24 176.06 1adn h ASP 10 N 0.00 0.07 -0.48 6.45 1.82 -1.99 -2.18 116.42 120.12 1adn h ASP 10 Ca 0.15 -0.38 -0.03 0.00 -0.39 0.00 0.00 57.03 56.38 1adn h ASP 10 Cb 0.86 -0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.83 1adn h ASP 10 CO -0.00 0.43 0.20 1.56 -1.61 0.00 0.00 179.24 179.82 1adn h GLN 11 N -0.30 0.71 0.00 0.28 4.20 -1.86 0.26 115.11 118.40 1adn h GLN 11 Ca 0.01 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1adn h GLN 11 Cb 0.41 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1adn h GLN 11 CO 0.00 0.63 0.00 0.54 -0.67 0.00 0.00 178.83 179.34 1adn n ARG 12 N -4.58 0.00 0.14 1.46 3.00 -0.91 0.11 116.66 115.88 1adn n ARG 12 Ca 0.01 0.78 0.01 0.00 -0.01 0.00 0.00 57.85 58.64 1adn n ARG 12 Cb 0.15 -1.33 0.14 0.00 0.00 0.00 0.00 32.46 31.42 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 0.00 -1.55 2.91 -1.41 0.11 115.95 116.01 1adn h TRP 13 Ca 0.00 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 59.99 1adn h TRP 13 Cb 0.00 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 28.65 1adn h TRP 13 CO -0.55 0.58 -0.13 0.37 -1.03 0.00 0.00 178.44 177.69 1adn h GLN 14 N 0.00 0.00 -0.78 2.65 4.15 -0.48 0.27 115.11 120.92 1adn h GLN 14 Ca -0.01 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.48 1adn h GLN 14 Cb 1.23 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.87 1adn h GLN 14 CO 0.08 0.13 0.51 1.03 -1.93 0.00 0.00 178.83 178.64 1adn h SER 15 N 0.00 0.74 0.29 -0.69 0.87 0.34 -2.75 113.55 112.34 1adn h SER 15 Ca -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1adn h SER 15 Cb 0.27 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1adn h SER 15 CO 0.02 0.47 -0.14 0.58 -0.53 0.00 0.00 176.83 177.23 1adn h VAL 16 N 0.84 0.00 -0.95 2.23 2.07 -0.32 -1.87 116.25 118.24 1adn h VAL 16 Ca 0.34 -0.64 0.35 0.00 0.82 0.00 0.00 66.70 67.57 1adn h VAL 16 Cb 0.24 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.84 1adn h VAL 16 CO -0.12 0.00 0.35 0.18 0.02 0.00 0.00 177.57 178.00 1adn n LEU 17 N -4.83 0.18 0.00 2.57 4.77 0.51 -3.69 117.00 116.51 1adn n LEU 17 Ca -0.05 1.59 0.00 0.00 -0.03 0.00 0.00 56.01 57.53 1adn n LEU 17 Cb 0.15 -0.71 0.00 0.00 -2.33 0.00 0.00 43.42 40.53 1adn n LEU 17 CO 0.12 -1.73 0.00 0.00 -1.33 0.00 0.00 177.39 174.45 1adn n ALA 18 N -2.59 0.00 0.00 -1.18 0.00 -1.04 -5.11 120.51 110.59 1adn n ALA 18 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1adn n ALA 18 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.51 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 -1.66 0.00 3.00 -0.75 -5.05 116.66 112.20 1adn n ARG 19 Ca 0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 57.85 57.34 1adn n ARG 19 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.40 1adn n ARG 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1adn n ASP 20 N 0.00 3.03 -0.24 6.15 2.03 -0.92 -4.91 116.55 121.69 1adn n ASP 20 Ca 0.00 0.90 -0.03 0.00 0.52 0.00 0.00 54.79 56.18 1adn n ASP 20 Cb 0.00 -1.31 0.08 0.00 -0.72 0.00 0.00 41.12 39.17 1adn n ASP 20 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1adn h PRO 21 N 9.39 0.78 0.03 -0.67 0.11 -1.98 -0.53 132.00 139.12 1adn h PRO 21 Ca -0.45 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 1adn h PRO 21 Cb 1.29 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1adn h PRO 21 CO 0.96 0.52 -0.01 -0.97 -0.21 0.00 0.00 178.00 178.29 1adn h ASN 22 N 0.81 -0.03 1.13 -2.05 -1.24 -2.02 -3.14 115.58 109.04 1adn h ASN 22 Ca 0.29 -0.45 0.00 0.00 0.71 0.00 0.00 56.30 56.85 1adn h ASN 22 Cb 0.07 0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.13 1adn h ASN 22 CO -0.13 0.44 0.00 0.00 -1.29 0.00 0.00 177.43 176.45 1adn n ALA 23 N -2.35 2.14 -1.00 1.57 0.00 -1.24 -4.55 120.51 115.08 1adn n ALA 23 Ca -0.08 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1adn n ALA 23 Cb 0.24 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 -1.96 0.00 0.00 0.00 8.00 -0.21 -4.83 116.55 117.55 1adn n ASP 24 Ca 0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.55 1adn n ASP 24 Cb 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 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 3.07 2.09 0.57 0.44 0.00 -1.21 -2.65 105.19 107.49 1adn n GLY 25 Ca 0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 46.02 45.60 1adn n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1adn n GLU 26 N 0.00 0.00 -2.16 1.61 1.02 -1.26 -5.16 120.64 114.69 1adn n GLU 26 Ca 0.00 -0.17 -0.36 0.00 -0.02 0.00 0.00 57.16 56.61 1adn n GLU 26 Cb 0.00 0.09 0.01 0.00 -0.02 0.00 0.00 31.44 31.52 1adn n GLU 26 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 1adn s PHE 27 N 0.00 2.61 0.24 -0.32 -0.71 -1.09 -4.54 117.98 114.17 1adn s PHE 27 Ca 0.00 1.52 0.10 0.00 -1.04 0.00 0.00 56.93 57.51 1adn s PHE 27 Cb 0.00 -3.40 -0.04 0.00 -1.21 0.00 0.00 43.02 38.37 1adn s PHE 27 CO 0.00 -1.83 -0.08 0.14 -1.34 0.00 0.00 175.22 172.11 1adn s VAL 28 N -1.64 3.13 -0.02 -2.49 -7.23 0.62 -4.29 120.40 108.48 1adn s VAL 28 Ca 0.72 -1.93 0.01 0.00 -1.81 0.00 0.00 61.98 58.96 1adn s VAL 28 Cb -0.28 -2.62 0.02 0.00 0.56 0.00 0.00 36.38 34.06 1adn s VAL 28 CO 0.32 -0.28 -0.01 0.72 -0.31 0.00 0.00 175.10 175.54 1adn s PHE 29 N -2.13 0.28 -0.54 2.82 -0.12 -0.12 -0.70 117.98 117.47 1adn s PHE 29 Ca 0.28 -0.01 -0.01 0.00 -0.05 0.00 0.00 56.93 57.15 1adn s PHE 29 Cb -0.07 -0.34 0.14 0.00 -0.63 0.00 0.00 43.02 42.13 1adn s PHE 29 CO 0.17 -0.09 0.33 0.00 -0.05 0.00 0.00 175.22 175.57 1adn s ALA 30 N 0.73 3.40 -0.64 1.99 0.00 -0.47 -0.48 121.76 126.29 1adn s ALA 30 Ca -0.07 -3.09 -0.27 0.00 0.00 0.00 0.00 51.96 48.52 1adn s ALA 30 Cb -0.10 -2.45 0.01 0.00 0.00 0.00 0.00 23.12 20.58 1adn s ALA 30 CO -0.01 -2.00 1.48 0.54 0.00 0.00 0.00 175.76 175.76 1adn s VAL 31 N 0.15 3.65 -0.29 0.00 0.11 -0.71 -0.30 120.40 123.00 1adn s VAL 31 Ca 0.15 0.44 -0.02 0.00 -2.93 0.00 0.00 61.98 59.62 1adn s VAL 31 Cb -0.22 -4.50 0.08 0.00 -1.53 0.00 0.00 36.38 30.22 1adn s VAL 31 CO -0.03 -1.37 2.47 0.54 -3.33 0.00 0.00 175.10 173.37 1adn n ARG 32 N 9.08 1.95 -0.08 1.54 1.74 -1.09 -2.66 116.66 127.14 1adn n ARG 32 Ca 0.11 -1.60 -0.16 0.00 -0.77 0.00 0.00 57.85 55.44 1adn n ARG 32 Cb 0.50 -1.78 -0.06 0.00 -1.02 0.00 0.00 32.46 30.10 1adn n ARG 32 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1adn n THR 33 N 0.91 0.86 0.15 0.55 -1.04 -1.26 -4.74 114.28 109.71 1adn n THR 33 Ca 0.35 -0.24 0.07 0.00 -2.04 0.00 0.00 64.05 62.19 1adn n THR 33 Cb 0.60 -1.57 -0.11 0.00 -1.82 0.00 0.00 70.33 67.44 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 -3.54 0.00 -0.04 12.58 -1.04 -1.26 -5.08 114.28 115.89 1adn n THR 34 Ca -0.30 -0.29 0.00 0.00 -2.04 0.00 0.00 64.05 61.41 1adn n THR 34 Cb 0.73 0.36 0.00 0.00 -1.82 0.00 0.00 70.33 69.61 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 1.59 0.85 2.83 3.41 0.00 -1.18 -5.15 105.19 107.54 1adn n GLY 35 Ca -0.01 -0.77 -0.20 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.03 0.40 -0.47 -0.61 -4.36 -1.09 -4.53 121.20 108.51 1adn s ILE 36 Ca 0.00 0.01 -0.15 0.00 -0.26 0.00 0.00 60.65 60.25 1adn s ILE 36 Cb 0.00 -0.49 0.07 0.00 1.25 0.00 0.00 42.46 43.29 1adn s ILE 36 CO 0.00 0.22 0.39 0.72 0.24 0.00 0.00 174.94 176.52 1adn s PHE 37 N 1.34 3.25 0.13 1.37 -0.12 0.22 -1.75 117.98 122.43 1adn s PHE 37 Ca -0.05 -0.94 0.09 0.00 -0.05 0.00 0.00 56.93 55.98 1adn s PHE 37 Cb -0.13 -3.17 -0.04 0.00 -0.63 0.00 0.00 43.02 39.05 1adn s PHE 37 CO -0.02 -0.80 -0.21 0.00 -0.05 0.00 0.00 175.22 174.14 1adn s ARG 39 N -2.31 3.48 -0.05 0.00 0.52 -1.11 -0.95 118.95 118.53 1adn s ARG 39 Ca 0.11 0.60 -0.00 0.00 -0.52 0.00 0.00 55.73 55.92 1adn s ARG 39 Cb -0.08 -4.04 -0.02 0.00 0.52 0.00 0.00 34.95 31.33 1adn s ARG 39 CO 0.06 -1.70 0.11 -2.30 0.02 0.00 0.00 175.30 171.48 1adn n PRO 40 N 8.32 0.00 0.00 3.54 -0.02 -1.26 -4.65 135.00 140.92 1adn n PRO 40 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1adn n PRO 40 Cb 0.49 -0.05 0.00 0.00 -0.02 0.00 0.00 33.50 33.92 1adn n PRO 40 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1adn n SER 41 N 0.28 0.00 -4.51 2.55 3.41 -1.26 -4.99 113.62 109.10 1adn n SER 41 Ca 0.03 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.23 1adn n SER 41 Cb 0.01 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.89 1adn n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1adn h ARG 43 N 15.57 0.00 0.00 0.00 3.08 -1.94 -3.39 114.38 127.71 1adn h ARG 43 Ca -0.21 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.59 1adn h ARG 43 Cb 1.29 0.00 0.09 0.00 0.08 0.00 0.00 29.97 31.43 1adn h ARG 43 CO 1.17 0.00 0.21 0.00 -1.07 0.00 0.00 179.97 180.28 1adn n ALA 44 N -1.93 -0.73 -1.53 0.04 0.00 -1.26 -4.91 120.51 110.18 1adn n ALA 44 Ca 0.02 -1.00 -0.16 0.00 0.00 0.00 0.00 53.44 52.30 1adn n ALA 44 Cb 0.32 -0.02 -0.12 0.00 0.00 0.00 0.00 19.45 19.63 1adn n ALA 44 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1adn n ARG 45 N -2.53 0.35 -0.06 0.00 0.63 -1.26 -4.91 116.66 108.90 1adn n ARG 45 Ca 0.09 -0.61 0.00 0.00 -0.92 0.00 0.00 57.85 56.42 1adn n ARG 45 Cb 0.33 -2.82 0.00 0.00 0.45 0.00 0.00 32.46 30.42 1adn n ARG 45 CO 0.00 0.00 0.00 -2.39 -2.51 0.00 0.00 177.63 172.73 1adn n HIS 46 N 14.41 -1.51 -3.93 -0.14 1.44 -1.26 -4.62 115.22 119.61 1adn n HIS 46 Ca 0.52 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 56.02 1adn n HIS 46 Cb 0.34 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.43 1adn n HIS 46 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1adn s ALA 47 N -3.71 3.87 0.50 1.59 0.00 -1.26 -5.13 121.76 117.61 1adn s ALA 47 Ca 0.00 -1.34 -0.07 0.00 0.00 0.00 0.00 51.96 50.55 1adn s ALA 47 Cb 0.00 -1.57 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 1adn s ALA 47 CO 0.00 0.19 0.83 -0.48 0.00 0.00 0.00 175.76 176.30 1adn s LEU 48 N -3.97 3.59 0.00 0.00 0.05 -1.26 -4.99 118.68 112.10 1adn s LEU 48 Ca 0.36 1.05 0.22 0.00 0.05 0.00 0.00 54.13 55.80 1adn s LEU 48 Cb -0.09 -4.01 1.10 0.00 -2.05 0.00 0.00 46.19 41.14 1adn s LEU 48 CO 0.28 -0.60 1.69 -1.14 -0.55 0.00 0.00 176.35 176.03 1adn n ARG 49 N -2.20 0.33 0.21 1.48 0.00 -1.26 -4.10 116.66 111.12 1adn n ARG 49 Ca 0.02 0.08 0.09 0.00 -0.00 0.00 0.00 57.85 58.03 1adn n ARG 49 Cb 0.55 -1.50 0.39 0.00 0.00 0.00 0.00 32.46 31.90 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 0.00 0.00 0.00 -0.14 4.39 -2.03 -3.14 114.58 113.66 1adn h GLU 50 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1adn h GLU 50 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1adn h GLU 50 CO 0.00 0.27 -0.19 0.27 -1.16 0.00 0.00 179.01 178.20 1adn n ASN 51 N -3.39 1.09 -4.85 1.42 6.94 -1.26 -5.11 115.26 110.10 1adn n ASN 51 Ca 0.00 -2.24 -0.37 0.00 -0.02 0.00 0.00 54.58 51.95 1adn n ASN 51 Cb 0.47 -0.23 -0.06 0.00 -2.36 0.00 0.00 39.78 37.61 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 -1.14 5.34 0.47 3.53 0.11 -1.19 -2.66 120.40 124.86 1adn s VAL 52 Ca 0.11 0.43 0.08 0.00 -2.93 0.00 0.00 61.98 59.68 1adn s VAL 52 Cb 0.10 -3.52 0.03 0.00 -1.53 0.00 0.00 36.38 31.46 1adn s VAL 52 CO 0.01 0.59 0.61 -0.55 -3.33 0.00 0.00 175.10 172.43 1adn s SER 53 N -0.90 5.42 -0.01 3.54 0.15 0.59 -4.86 113.70 117.62 1adn s SER 53 Ca 0.18 -0.59 -0.01 0.00 0.70 0.00 0.00 55.95 56.23 1adn s SER 53 Cb -0.14 -0.35 0.01 0.00 -1.71 0.00 0.00 66.02 63.83 1adn s SER 53 CO 0.07 -0.93 0.03 -0.36 1.20 0.00 0.00 173.24 173.25 1adn s PHE 54 N -2.46 -0.02 0.14 3.44 0.40 -1.26 -1.36 117.98 116.85 1adn s PHE 54 Ca 0.56 0.08 0.01 0.00 -0.60 0.00 0.00 56.93 56.98 1adn s PHE 54 Cb -0.08 -0.03 -0.04 0.00 0.51 0.00 0.00 43.02 43.37 1adn s PHE 54 CO 0.34 -0.03 -0.01 0.71 0.70 0.00 0.00 175.22 176.93 1adn s TYR 55 N 0.21 1.05 0.18 0.36 2.02 0.12 -5.00 117.35 116.28 1adn s TYR 55 Ca -0.02 -1.02 0.07 0.00 -0.37 0.00 0.00 57.07 55.73 1adn s TYR 55 Cb -0.02 -0.60 0.01 0.00 -0.40 0.00 0.00 41.96 40.94 1adn s TYR 55 CO -0.01 -0.24 1.40 0.00 -1.57 0.00 0.00 175.55 175.13 1adn h ALA 56 N 2.81 0.58 -2.85 3.71 0.00 -1.92 0.18 119.26 121.77 1adn h ALA 56 Ca -0.36 -0.77 -0.16 0.00 0.00 0.00 0.00 54.91 53.63 1adn h ALA 56 Cb 1.19 -0.12 -0.21 0.00 0.00 0.00 0.00 17.79 18.65 1adn h ALA 56 CO 0.63 1.03 -0.60 1.21 0.00 0.00 0.00 179.25 181.52 1adn s ASN 57 N -6.80 0.15 0.55 0.00 3.84 -1.26 -3.34 114.94 108.07 1adn s ASN 57 Ca -0.01 -0.38 0.36 0.00 0.21 0.00 0.00 52.86 53.04 1adn s ASN 57 Cb 0.11 0.15 1.66 0.00 -0.55 0.00 0.00 41.25 42.62 1adn s ASN 57 CO 0.80 -0.34 2.06 0.00 -2.79 0.00 0.00 177.10 176.83 1adn h ALA 58 N 4.42 1.00 -0.18 1.71 0.00 -1.93 -2.24 119.26 122.04 1adn h ALA 58 Ca -0.32 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1adn h ALA 58 Cb 1.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1adn h ALA 58 CO 0.41 0.00 0.04 1.03 0.00 0.00 0.00 179.25 180.74 1adn h SER 59 N 0.00 0.23 0.52 0.00 0.87 -1.99 0.15 113.55 113.33 1adn h SER 59 Ca 0.00 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 1adn h SER 59 Cb 0.31 -0.06 0.01 0.00 -0.44 0.00 0.00 62.40 62.22 1adn h SER 59 CO 0.00 0.24 -0.25 -0.08 -0.53 0.00 0.00 176.83 176.21 1adn h GLU 60 N 0.25 -0.68 -0.50 2.24 4.57 -1.83 0.14 114.58 118.78 1adn h GLU 60 Ca 0.06 0.05 0.14 0.00 -1.18 0.00 0.00 59.36 58.43 1adn h GLU 60 Cb 0.10 0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 1adn h GLU 60 CO -0.00 -0.38 0.55 0.00 -1.18 0.00 0.00 179.01 177.99 1adn h ALA 61 N -0.89 2.23 0.06 2.92 0.00 -1.51 0.52 119.26 122.58 1adn h ALA 61 Ca -0.07 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.64 1adn h ALA 61 Cb 0.61 0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.45 1adn h ALA 61 CO 0.12 -0.81 -0.74 1.25 0.00 0.00 0.00 179.25 179.08 1adn h LEU 62 N 0.00 0.55 -1.52 0.00 6.46 -0.68 -1.00 115.31 119.13 1adn h LEU 62 Ca 0.24 -0.83 0.28 0.00 -0.12 0.00 0.00 57.88 57.44 1adn h LEU 62 Cb 1.33 -0.17 -0.08 0.00 -0.73 0.00 0.00 40.66 41.01 1adn h LEU 62 CO -0.00 1.32 0.70 0.00 -0.62 0.00 0.00 178.44 179.84 1adn h ALA 63 N 0.24 2.43 -0.35 1.25 0.00 0.19 1.44 119.26 124.46 1adn h ALA 63 Ca -0.11 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1adn h ALA 63 Cb 1.48 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 1adn h ALA 63 CO 0.14 -0.81 -0.24 0.00 0.00 0.00 0.00 179.25 178.34 1adn h ALA 64 N 1.58 0.92 -0.07 0.00 0.00 -0.39 -3.48 119.26 117.82 1adn h ALA 64 Ca 0.58 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1adn h ALA 64 Cb 1.66 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1adn h ALA 64 CO -0.23 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.05 1adn n GLY 65 N -0.25 1.27 0.86 0.00 0.00 0.49 -5.10 105.19 102.45 1adn n GLY 65 Ca -0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.61 -2.67 -3.23 1.61 7.35 -0.43 -5.02 117.46 114.46 1adn n PHE 66 Ca 0.00 -0.47 -0.44 0.00 -0.76 0.00 0.00 57.45 55.78 1adn n PHE 66 Cb 0.05 -0.12 -0.07 0.00 0.35 0.00 0.00 39.48 39.70 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 -2.57 3.07 -0.54 -4.13 6.06 -1.26 -4.81 118.95 114.77 1adn s ARG 67 Ca 0.13 -1.07 -0.26 0.00 -2.50 0.00 0.00 55.73 52.02 1adn s ARG 67 Cb -0.01 -4.12 -0.08 0.00 0.06 0.00 0.00 34.95 30.80 1adn s ARG 67 CO 0.08 -1.18 2.41 -1.25 -2.50 0.00 0.00 175.30 172.86 1adn s PRO 68 N 2.30 2.00 -0.69 5.12 0.04 -1.25 0.72 135.00 143.25 1adn s PRO 68 Ca 0.11 1.24 -0.27 0.00 0.04 0.00 0.00 61.00 62.12 1adn s PRO 68 Cb -0.21 -4.62 0.03 0.00 0.04 0.00 0.00 34.50 29.74 1adn s PRO 68 CO 0.10 -3.49 1.25 0.00 0.04 0.00 0.00 177.00 174.89 1adn n LYS 70 N 9.07 0.00 0.00 0.00 4.01 -1.26 -2.76 118.16 127.22 1adn n LYS 70 Ca 0.05 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.85 1adn n LYS 70 Cb 0.49 -0.17 0.00 0.00 -0.51 0.00 0.00 35.03 34.84 1adn n LYS 70 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 1adn n ARG 71 N -0.03 0.00 0.00 1.97 0.63 -1.26 -4.74 116.66 113.23 1adn n ARG 71 Ca 0.00 0.34 0.00 0.00 -0.92 0.00 0.00 57.85 57.27 1adn n ARG 71 Cb 0.00 -1.28 0.00 0.00 0.45 0.00 0.00 32.46 31.63 1adn n ARG 71 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1adn n GLN 73 N 0.00 0.00 0.00 0.00 -0.06 -1.26 -4.69 117.38 111.37 1adn n GLN 73 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1adn n GLN 73 Cb 0.00 -1.31 0.00 0.00 -4.06 0.00 0.00 30.24 24.87 1adn n GLN 73 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 1adn n PRO 74 N 1.31 0.00 -3.30 3.69 -0.02 -1.26 -4.87 135.00 130.55 1adn n PRO 74 Ca 0.19 0.57 -0.18 0.00 -2.02 0.00 0.00 63.50 62.05 1adn n PRO 74 Cb 0.11 -1.20 -0.05 0.00 -0.02 0.00 0.00 33.50 32.35 1adn n PRO 74 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1adn n ASP 75 N -1.61 -0.06 -2.06 2.55 9.92 -1.26 -4.84 116.55 119.19 1adn n ASP 75 Ca 0.00 -0.65 -0.01 0.00 -0.53 0.00 0.00 54.79 53.60 1adn n ASP 75 Cb 0.00 -0.82 0.00 0.00 -0.64 0.00 0.00 41.12 39.66 1adn n ASP 75 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1adn n LYS 76 N -2.65 0.37 0.00 -1.24 2.85 -1.26 -4.80 118.16 111.43 1adn n LYS 76 Ca -0.08 -0.06 0.00 0.00 -1.05 0.00 0.00 58.31 57.12 1adn n LYS 76 Cb 0.31 -0.02 0.00 0.00 -0.65 0.00 0.00 35.03 34.67 1adn n LYS 76 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1adn n ALA 77 N -3.01 0.00 -3.24 0.58 0.00 -1.26 -3.07 120.51 110.51 1adn n ALA 77 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.30 1adn n ALA 77 Cb 0.02 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.48 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 0.00 -6.41 -0.42 0.00 4.13 -1.26 -4.82 115.26 106.48 1adn n ASN 78 Ca 0.00 0.31 0.36 0.00 1.68 0.00 0.00 54.58 56.93 1adn n ASN 78 Cb 0.00 -2.11 0.64 0.00 -1.54 0.00 0.00 39.78 36.77 1adn n ASN 78 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 1adn h PRO 79 N 2.98 0.06 -7.12 3.52 0.11 -1.88 -3.43 132.00 126.24 1adn h PRO 79 Ca -0.19 -0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.39 1adn h PRO 79 Cb 1.05 -0.01 0.20 0.00 0.11 0.00 0.00 31.00 32.35 1adn h PRO 79 CO 0.09 0.04 0.04 0.54 -0.21 0.00 0.00 178.00 178.50 1adn n ARG 80 N -4.84 -0.24 -0.73 1.05 3.00 -1.26 -4.99 116.66 108.64 1adn n ARG 80 Ca 0.38 -0.01 -0.32 0.00 -0.01 0.00 0.00 57.85 57.90 1adn n ARG 80 Cb 1.42 -2.25 0.13 0.00 0.00 0.00 0.00 32.46 31.76 1adn n ARG 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1adn n GLN 81 N -3.30 -1.31 -2.64 5.56 0.00 -1.26 -4.87 117.38 109.55 1adn n GLN 81 Ca 0.11 -0.37 -0.42 0.00 0.00 0.00 0.00 57.00 56.32 1adn n GLN 81 Cb 0.52 -1.49 0.01 0.00 0.00 0.00 0.00 30.24 29.28 1adn n GLN 81 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 1adn n HIS 82 N -4.20 2.54 -3.80 2.61 -0.00 -1.26 -4.79 115.22 106.33 1adn n HIS 82 Ca 0.01 -2.66 -0.36 0.00 0.46 0.00 0.00 57.72 55.17 1adn n HIS 82 Cb 0.62 -1.52 0.04 0.00 -0.12 0.00 0.00 29.99 29.01 1adn n HIS 82 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1adn n ARG 83 N 1.94 -0.92 -1.08 1.57 5.12 -1.26 -4.54 116.66 117.49 1adn n ARG 83 Ca 0.37 0.34 0.00 0.00 -1.93 0.00 0.00 57.85 56.63 1adn n ARG 83 Cb 0.32 -3.65 0.00 0.00 -1.16 0.00 0.00 32.46 27.97 1adn n ARG 83 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1adn n LEU 84 N -4.44 -3.09 0.00 0.55 4.77 -1.26 -5.10 117.00 108.43 1adn n LEU 84 Ca -0.10 0.79 0.00 0.00 -0.03 0.00 0.00 56.01 56.67 1adn n LEU 84 Cb 0.58 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 1adn n LEU 84 CO 0.69 -0.56 -0.09 -0.67 -1.33 0.00 0.00 177.39 175.43 1adn n ASP 85 N 0.47 0.54 -4.62 -1.43 -0.08 -1.26 -5.06 116.55 105.11 1adn n ASP 85 Ca 0.00 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 52.85 1adn n ASP 85 Cb 0.00 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.44 1adn n ASP 85 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1adn s LYS 86 N -1.40 3.90 -0.33 -0.67 3.01 -1.26 -5.01 119.74 117.98 1adn s LYS 86 Ca 0.00 0.80 -0.01 0.00 -1.01 0.00 0.00 55.97 55.75 1adn s LYS 86 Cb 0.00 -3.81 0.11 0.00 -1.01 0.00 0.00 37.83 33.12 1adn s LYS 86 CO 0.00 -1.08 0.15 0.42 0.51 0.00 0.00 175.35 175.35 1adn s ILE 87 N 3.90 0.56 -0.64 2.17 1.01 -1.26 -4.97 121.20 121.97 1adn s ILE 87 Ca 0.45 -1.44 0.20 0.00 0.00 0.00 0.00 60.65 59.86 1adn s ILE 87 Cb -0.10 -1.43 -0.25 0.00 0.01 0.00 0.00 42.46 40.69 1adn s ILE 87 CO 0.22 -0.78 0.71 0.35 0.00 0.00 0.00 174.94 175.44 1adn n THR 88 N 4.63 0.00 -3.30 2.92 -2.24 -1.26 -4.89 114.28 110.14 1adn n THR 88 Ca 0.01 -0.17 -0.46 0.00 -2.27 0.00 0.00 64.05 61.15 1adn n THR 88 Cb 0.40 0.69 -0.04 0.00 -2.10 0.00 0.00 70.33 69.28 1adn n THR 88 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1adn s HIS 89 N -3.04 3.43 -0.16 4.78 5.65 -1.26 -4.77 115.29 119.93 1adn s HIS 89 Ca 0.03 -1.54 0.11 0.00 0.25 0.00 0.00 55.06 53.90 1adn s HIS 89 Cb 0.14 -3.83 0.27 0.00 -1.18 0.00 0.00 32.58 27.98 1adn s HIS 89 CO 0.82 -1.03 1.24 0.00 -0.65 0.00 0.00 174.74 175.12 1adn n ALA 90 N 4.84 3.14 -2.58 1.58 0.00 -1.26 -5.15 120.51 121.07 1adn n ALA 90 Ca -0.03 -1.25 -0.24 0.00 0.00 0.00 0.00 53.44 51.92 1adn n ALA 90 Cb 0.43 -0.63 -0.08 0.00 0.00 0.00 0.00 19.45 19.16 1adn n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50