#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 0.19 0.00 0.03 2.36 -1.26 -5.13 119.74 115.93 1adn s LYS 2 Ca 0.00 0.24 0.00 0.00 -2.55 0.00 0.00 55.97 53.66 1adn s LYS 2 Cb 0.00 -0.63 0.00 0.00 -1.05 0.00 0.00 37.83 36.15 1adn s LYS 2 CO 0.00 -0.28 0.00 1.63 1.55 0.00 0.00 175.35 178.25 1adn n LYS 3 N 5.00 0.44 0.22 4.03 5.02 -1.26 -5.06 118.16 126.55 1adn n LYS 3 Ca -0.10 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.31 1adn n LYS 3 Cb 0.50 0.00 0.24 0.00 -0.02 0.00 0.00 35.03 35.75 1adn n LYS 3 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1adn h ALA 4 N 1.00 0.96 -1.37 7.82 0.00 -2.07 -3.37 119.26 122.24 1adn h ALA 4 Ca 0.00 -0.06 -0.76 0.00 0.00 0.00 0.00 54.91 54.09 1adn h ALA 4 Cb 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 17.79 17.48 1adn h ALA 4 CO 0.00 0.08 0.72 2.41 0.00 0.00 0.00 179.25 182.46 1adn n THR 5 N -3.12 5.01 0.42 0.00 -1.04 -1.26 -4.72 114.28 109.56 1adn n THR 5 Ca 0.03 -5.55 0.01 0.00 -2.04 0.00 0.00 64.05 56.50 1adn n THR 5 Cb 0.52 -1.45 0.12 0.00 -1.82 0.00 0.00 70.33 67.69 1adn n THR 5 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1adn s LEU 7 N -0.85 3.40 0.41 0.00 1.02 -1.26 -4.96 118.68 116.44 1adn s LEU 7 Ca 0.17 1.11 0.08 0.00 0.02 0.00 0.00 54.13 55.51 1adn s LEU 7 Cb 0.13 -2.65 -0.02 0.00 0.02 0.00 0.00 46.19 43.67 1adn s LEU 7 CO 0.05 -2.71 0.38 -0.89 0.02 0.00 0.00 176.35 173.20 1adn s THR 8 N 11.36 2.76 0.62 5.49 2.01 -1.26 -4.99 115.64 131.62 1adn s THR 8 Ca 0.95 -1.33 0.32 0.00 0.31 0.00 0.00 61.69 61.94 1adn s THR 8 Cb -0.19 -3.02 0.37 0.00 0.01 0.00 0.00 72.50 69.68 1adn s THR 8 CO 0.27 -0.02 2.16 0.44 -0.69 0.00 0.00 174.62 176.78 1adn h ASP 9 N 1.03 0.00 0.53 3.53 3.32 -2.00 -1.39 116.42 121.44 1adn h ASP 9 Ca -0.42 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.61 1adn h ASP 9 Cb 1.27 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.81 1adn h ASP 9 CO 0.57 0.00 -0.32 -0.78 -1.72 0.00 0.00 179.24 176.99 1adn h ASP 10 N 0.00 -0.80 -0.06 6.45 3.58 -1.97 -2.80 116.42 120.82 1adn h ASP 10 Ca 0.04 0.05 -0.06 0.00 0.42 0.00 0.00 57.03 57.48 1adn h ASP 10 Cb 0.33 0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.60 1adn h ASP 10 CO -0.00 -0.50 -0.12 -0.61 -2.88 0.00 0.00 179.24 175.12 1adn h GLN 11 N -0.80 0.37 0.00 0.28 5.75 -1.65 0.18 115.11 119.25 1adn h GLN 11 Ca -0.06 -0.10 0.00 0.00 -0.15 0.00 0.00 58.65 58.34 1adn h GLN 11 Cb 0.65 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.16 1adn h GLN 11 CO 0.07 0.50 0.00 0.54 -2.65 0.00 0.00 178.83 177.29 1adn n ARG 12 N -4.23 0.00 0.22 1.69 3.00 -0.84 -0.17 116.66 116.32 1adn n ARG 12 Ca 0.00 0.80 0.15 0.00 -0.01 0.00 0.00 57.85 58.79 1adn n ARG 12 Cb 0.30 -1.48 0.54 0.00 0.00 0.00 0.00 32.46 31.82 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 -1.28 0.33 115.95 115.66 1adn h TRP 13 Ca 0.00 0.00 -0.05 0.00 1.13 0.00 0.00 58.89 59.97 1adn h TRP 13 Cb 0.00 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 28.62 1adn h TRP 13 CO -0.51 0.00 0.23 0.37 -1.03 0.00 0.00 178.44 177.50 1adn h GLN 14 N 0.00 1.07 -0.82 2.65 -0.00 -0.54 0.14 115.11 117.61 1adn h GLN 14 Ca 0.00 -0.21 0.19 0.00 -0.00 0.00 0.00 58.65 58.63 1adn h GLN 14 Cb 0.55 -0.16 -0.15 0.00 0.00 0.00 0.00 27.48 27.72 1adn h GLN 14 CO 0.00 0.91 -0.04 0.77 0.00 0.00 0.00 178.83 180.46 1adn h SER 15 N 1.03 -0.48 0.79 -0.69 0.02 0.30 0.72 113.55 115.26 1adn h SER 15 Ca 0.23 0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 61.37 1adn h SER 15 Cb 0.28 0.41 0.01 0.00 0.14 0.00 0.00 62.40 63.24 1adn h SER 15 CO -0.01 -0.24 -0.38 0.58 -1.14 0.00 0.00 176.83 175.64 1adn h VAL 16 N 0.06 0.00 -0.68 2.27 2.07 -0.94 -1.62 116.25 117.41 1adn h VAL 16 Ca 0.45 -0.14 0.14 0.00 0.82 0.00 0.00 66.70 67.97 1adn h VAL 16 Cb 0.80 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.44 1adn h VAL 16 CO -0.76 0.00 -0.10 -0.07 0.02 0.00 0.00 177.57 176.66 1adn h LEU 17 N -1.20 -0.50 0.00 2.57 3.38 -0.43 -3.32 115.31 115.80 1adn h LEU 17 Ca -0.11 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1adn h LEU 17 Cb 0.81 0.38 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1adn h LEU 17 CO 0.18 -0.20 0.00 0.00 0.09 0.00 0.00 178.44 178.51 1adn n ALA 18 N -3.03 0.00 -1.51 1.53 0.00 0.22 -4.93 120.51 112.79 1adn n ALA 18 Ca 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.53 1adn n ALA 18 Cb 0.38 0.03 -0.00 0.00 0.00 0.00 0.00 19.45 19.85 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 -0.42 0.00 -1.70 0.00 0.63 -1.21 -5.13 116.66 108.83 1adn n ARG 19 Ca 0.00 -0.06 -0.43 0.00 -0.92 0.00 0.00 57.85 56.45 1adn n ARG 19 Cb 0.00 0.48 -0.03 0.00 0.45 0.00 0.00 32.46 33.36 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 0.00 3.91 0.00 6.15 2.03 -0.61 -5.00 116.55 123.02 1adn n ASP 20 Ca -0.02 1.03 0.00 0.00 0.52 0.00 0.00 54.79 56.33 1adn n ASP 20 Cb 0.27 -1.54 0.00 0.00 -0.72 0.00 0.00 41.12 39.12 1adn n ASP 20 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1adn n PRO 21 N 4.58 0.00 0.00 -0.67 -0.04 -1.26 -4.87 135.00 132.74 1adn n PRO 21 Ca 0.17 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1adn n PRO 21 Cb 0.35 -0.60 0.00 0.00 -0.04 0.00 0.00 33.50 33.21 1adn n PRO 21 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1adn n ASN 22 N -0.12 0.00 -3.19 3.54 5.15 -1.26 -4.91 115.26 114.48 1adn n ASN 22 Ca 0.00 0.05 0.02 0.00 -0.60 0.00 0.00 54.58 54.05 1adn n ASN 22 Cb 0.00 -0.10 -0.01 0.00 -0.53 0.00 0.00 39.78 39.14 1adn n ASN 22 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1adn s ALA 23 N -4.22 -2.42 0.03 5.20 0.00 -1.26 -3.23 121.76 115.85 1adn s ALA 23 Ca 0.00 0.45 -0.35 0.00 0.00 0.00 0.00 51.96 52.05 1adn s ALA 23 Cb 0.00 -2.70 -0.18 0.00 0.00 0.00 0.00 23.12 20.25 1adn s ALA 23 CO 0.00 -2.13 0.91 -0.25 0.00 0.00 0.00 175.76 174.30 1adn n ASP 24 N 4.66 -0.16 0.00 0.00 9.92 -1.26 -3.03 116.55 126.68 1adn n ASP 24 Ca 0.09 1.06 0.00 0.00 -0.53 0.00 0.00 54.79 55.42 1adn n ASP 24 Cb 0.56 -0.85 0.00 0.00 -0.64 0.00 0.00 41.12 40.20 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 1.44 1.75 0.69 0.44 0.00 -1.26 -2.69 105.19 105.56 1adn n GLY 25 Ca 0.18 -0.25 -0.03 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.90 1.61 2.13 -1.21 -5.19 120.64 116.09 1adn n GLU 26 Ca 0.00 -0.40 -0.30 0.00 0.66 0.00 0.00 57.16 57.12 1adn n GLU 26 Cb 0.00 0.21 0.04 0.00 0.27 0.00 0.00 31.44 31.95 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 3.39 0.06 4.31 -0.71 -1.10 -3.81 117.98 120.12 1adn s PHE 27 Ca 0.00 1.09 0.00 0.00 -1.04 0.00 0.00 56.93 56.98 1adn s PHE 27 Cb 0.00 -2.98 -0.03 0.00 -1.21 0.00 0.00 43.02 38.80 1adn s PHE 27 CO 0.00 -1.06 -0.05 0.14 -1.34 0.00 0.00 175.22 172.92 1adn s VAL 28 N -3.31 0.37 0.01 -2.49 -7.23 0.40 -4.67 120.40 103.49 1adn s VAL 28 Ca 0.57 -1.57 0.02 0.00 -1.81 0.00 0.00 61.98 59.20 1adn s VAL 28 Cb -0.11 -1.20 -0.01 0.00 0.56 0.00 0.00 36.38 35.62 1adn s VAL 28 CO 0.52 -0.78 -0.08 0.72 -0.31 0.00 0.00 175.10 175.17 1adn s PHE 29 N -3.02 0.69 -0.33 2.82 -0.71 0.31 -0.31 117.98 117.43 1adn s PHE 29 Ca 0.02 -0.22 0.04 0.00 -1.04 0.00 0.00 56.93 55.72 1adn s PHE 29 Cb 0.01 -0.43 0.10 0.00 -1.21 0.00 0.00 43.02 41.49 1adn s PHE 29 CO -0.05 -0.02 0.04 0.00 -1.34 0.00 0.00 175.22 173.84 1adn s ALA 30 N -0.49 2.86 -0.55 1.99 0.00 -0.53 -1.76 121.76 123.28 1adn s ALA 30 Ca -0.00 -2.47 -0.21 0.00 0.00 0.00 0.00 51.96 49.28 1adn s ALA 30 Cb -0.05 -1.94 0.06 0.00 0.00 0.00 0.00 23.12 21.20 1adn s ALA 30 CO 0.00 -1.65 0.74 0.54 0.00 0.00 0.00 175.76 175.39 1adn s VAL 31 N 0.92 4.70 -0.21 0.00 0.11 -0.92 0.84 120.40 125.84 1adn s VAL 31 Ca 0.09 -0.37 0.01 0.00 -2.93 0.00 0.00 61.98 58.78 1adn s VAL 31 Cb -0.19 -4.42 0.13 0.00 -1.53 0.00 0.00 36.38 30.36 1adn s VAL 31 CO -0.08 -0.99 1.09 -1.14 -3.33 0.00 0.00 175.10 170.65 1adn n ARG 32 N 6.65 1.31 -0.09 1.54 0.63 -1.09 -2.44 116.66 123.18 1adn n ARG 32 Ca -0.05 -0.55 -0.20 0.00 -0.92 0.00 0.00 57.85 56.12 1adn n ARG 32 Cb 0.45 -1.29 -0.12 0.00 0.45 0.00 0.00 32.46 31.95 1adn n ARG 32 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 1adn n THR 33 N 0.18 1.59 0.92 5.15 5.66 -1.26 -4.42 114.28 122.11 1adn n THR 33 Ca 0.10 -0.55 0.10 0.00 -3.05 0.00 0.00 64.05 60.65 1adn n THR 33 Cb 0.67 -1.60 -0.01 0.00 -1.55 0.00 0.00 70.33 67.84 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 -3.49 0.00 -2.33 1.09 -1.04 -1.23 -5.04 114.28 102.24 1adn n THR 34 Ca -0.41 -0.27 -0.06 0.00 -2.04 0.00 0.00 64.05 61.27 1adn n THR 34 Cb 0.98 1.23 0.03 0.00 -1.82 0.00 0.00 70.33 70.75 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 1.35 0.16 2.85 3.41 0.00 -1.02 -5.09 105.19 106.85 1adn n GLY 35 Ca 0.08 -0.13 -0.19 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.13 0.39 -0.27 -0.61 -4.36 -1.16 -4.37 121.20 107.69 1adn s ILE 36 Ca 0.08 -0.02 -0.07 0.00 -0.26 0.00 0.00 60.65 60.37 1adn s ILE 36 Cb -0.01 -0.45 -0.02 0.00 1.25 0.00 0.00 42.46 43.23 1adn s ILE 36 CO 0.26 0.20 0.08 0.72 0.24 0.00 0.00 174.94 176.44 1adn s PHE 37 N 1.07 3.10 0.00 1.37 -0.12 0.15 -2.16 117.98 121.40 1adn s PHE 37 Ca -0.09 -0.58 0.00 0.00 -0.05 0.00 0.00 56.93 56.21 1adn s PHE 37 Cb -0.14 -2.25 0.00 0.00 -0.63 0.00 0.00 43.02 40.00 1adn s PHE 37 CO -0.01 -0.43 0.00 0.00 -0.05 0.00 0.00 175.22 174.73 1adn s ARG 39 N 1.06 3.40 0.20 0.00 1.81 -1.08 -0.53 118.95 123.81 1adn s ARG 39 Ca 0.00 -0.39 -0.04 0.00 -1.72 0.00 0.00 55.73 53.58 1adn s ARG 39 Cb 0.00 -2.66 -0.03 0.00 -0.45 0.00 0.00 34.95 31.81 1adn s ARG 39 CO 0.00 0.08 -0.20 -2.30 -0.68 0.00 0.00 175.30 172.21 1adn n PRO 40 N -1.82 0.00 0.00 3.54 -0.02 -1.20 -4.70 135.00 130.80 1adn n PRO 40 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 1adn n PRO 40 Cb 0.56 -0.20 0.00 0.00 -0.02 0.00 0.00 33.50 33.85 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 0.69 0.00 -4.94 2.55 3.41 -1.26 -4.96 113.62 109.11 1adn n SER 41 Ca -0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.37 1adn n SER 41 Cb 0.12 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.08 1adn n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1adn n ARG 43 N -2.06 0.00 -0.78 0.00 1.85 -1.26 -4.22 116.66 110.19 1adn n ARG 43 Ca 0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.72 1adn n ARG 43 Cb 0.57 0.00 0.09 0.00 -1.05 0.00 0.00 32.46 32.08 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 -1.27 -0.83 0.20 2.89 0.00 -1.26 -4.86 120.51 115.38 1adn n ALA 44 Ca 0.00 -0.76 0.08 0.00 0.00 0.00 0.00 53.44 52.76 1adn n ALA 44 Cb 0.00 -0.04 0.21 0.00 0.00 0.00 0.00 19.45 19.62 1adn n ALA 44 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1adn h ARG 45 N 0.00 0.00 -1.51 0.00 2.43 -2.03 -3.46 114.38 109.82 1adn h ARG 45 Ca -0.19 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1adn h ARG 45 Cb 0.53 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1adn h ARG 45 CO 0.13 0.00 0.00 1.58 -1.51 0.00 0.00 179.97 180.17 1adn n HIS 46 N -2.74 0.00 -1.41 2.20 -0.00 -1.26 -5.01 115.22 106.99 1adn n HIS 46 Ca 0.05 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.38 1adn n HIS 46 Cb 1.04 -0.89 0.03 0.00 -0.00 0.00 0.00 29.99 30.16 1adn n HIS 46 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1adn n ALA 47 N 0.68 -1.65 -1.42 1.57 0.00 -1.26 -4.97 120.51 113.45 1adn n ALA 47 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1adn n ALA 47 Cb 0.00 -1.72 0.19 0.00 0.00 0.00 0.00 19.45 17.92 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 1.92 1.66 0.00 0.00 1.02 -1.26 -4.97 118.68 117.06 1adn s LEU 48 Ca 0.65 0.74 0.06 0.00 0.02 0.00 0.00 54.13 55.60 1adn s LEU 48 Cb -0.48 -2.79 0.22 0.00 0.02 0.00 0.00 46.19 43.15 1adn s LEU 48 CO 0.58 -3.18 1.16 -2.11 0.02 0.00 0.00 176.35 172.81 1adn n ARG 49 N -4.15 1.27 0.01 1.70 1.85 -1.26 -4.18 116.66 111.90 1adn n ARG 49 Ca 0.10 -0.42 0.12 0.00 -1.00 0.00 0.00 57.85 56.65 1adn n ARG 49 Cb 0.59 -1.12 0.32 0.00 -1.05 0.00 0.00 32.46 31.20 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 -0.18 0.04 -0.59 2.89 -0.00 -1.26 -3.58 120.64 117.96 1adn n GLU 50 Ca 0.05 0.01 0.01 0.00 -0.00 0.00 0.00 57.16 57.24 1adn n GLU 50 Cb 0.11 -1.53 0.01 0.00 -0.00 0.00 0.00 31.44 30.03 1adn n GLU 50 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1adn n ASN 51 N -1.59 0.26 -4.89 -1.84 0.23 -1.26 -5.13 115.26 101.03 1adn n ASN 51 Ca 0.06 -2.08 -0.35 0.00 -0.53 0.00 0.00 54.58 51.68 1adn n ASN 51 Cb 0.35 -0.23 -0.05 0.00 -2.08 0.00 0.00 39.78 37.77 1adn n ASN 51 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1adn s VAL 52 N -0.19 5.40 0.52 3.53 0.11 -1.23 -2.67 120.40 125.87 1adn s VAL 52 Ca 0.06 0.08 0.05 0.00 -2.93 0.00 0.00 61.98 59.24 1adn s VAL 52 Cb 0.06 -3.52 0.02 0.00 -1.53 0.00 0.00 36.38 31.42 1adn s VAL 52 CO -0.02 0.42 0.32 -0.55 -3.33 0.00 0.00 175.10 171.95 1adn s SER 53 N -1.60 4.56 -0.10 3.54 0.15 0.25 -4.87 113.70 115.62 1adn s SER 53 Ca 0.24 -1.28 -0.11 0.00 0.70 0.00 0.00 55.95 55.51 1adn s SER 53 Cb -0.13 0.33 0.03 0.00 -1.71 0.00 0.00 66.02 64.54 1adn s SER 53 CO 0.14 -1.01 0.30 -0.36 1.20 0.00 0.00 173.24 173.51 1adn s PHE 54 N -2.76 -0.31 0.06 3.44 0.40 -1.26 -1.45 117.98 116.09 1adn s PHE 54 Ca 0.31 0.73 -0.08 0.00 -0.60 0.00 0.00 56.93 57.29 1adn s PHE 54 Cb -0.01 0.11 -0.00 0.00 0.51 0.00 0.00 43.02 43.62 1adn s PHE 54 CO 0.19 -0.18 0.17 0.71 0.70 0.00 0.00 175.22 176.80 1adn s TYR 55 N -0.00 0.13 -1.11 0.36 2.02 0.58 -5.00 117.35 114.33 1adn s TYR 55 Ca -0.01 -0.45 0.27 0.00 -0.37 0.00 0.00 57.07 56.51 1adn s TYR 55 Cb -0.02 -0.08 0.91 0.00 -0.40 0.00 0.00 41.96 42.37 1adn s TYR 55 CO 0.01 -0.45 1.69 0.00 -1.57 0.00 0.00 175.55 175.23 1adn n ALA 56 N 0.43 2.93 -3.45 3.71 0.00 -1.26 -0.45 120.51 122.41 1adn n ALA 56 Ca -0.17 -0.24 -0.11 0.00 0.00 0.00 0.00 53.44 52.92 1adn n ALA 56 Cb 0.60 -1.29 -0.02 0.00 0.00 0.00 0.00 19.45 18.74 1adn n ALA 56 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1adn s ASN 57 N -2.92 -0.50 0.48 0.00 3.84 -1.25 -4.08 114.94 110.51 1adn s ASN 57 Ca 0.15 -0.01 0.14 0.00 0.21 0.00 0.00 52.86 53.35 1adn s ASN 57 Cb 0.19 0.54 1.13 0.00 -0.55 0.00 0.00 41.25 42.56 1adn s ASN 57 CO 0.59 -0.88 2.09 0.00 -2.79 0.00 0.00 177.10 176.11 1adn h ALA 58 N 2.00 1.97 -0.38 1.71 0.00 -1.92 -2.34 119.26 120.30 1adn h ALA 58 Ca -0.30 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 54.71 1adn h ALA 58 Cb 1.29 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1adn h ALA 58 CO 0.36 -0.01 0.31 1.03 0.00 0.00 0.00 179.25 180.93 1adn h SER 59 N 0.21 0.00 0.42 0.00 0.87 -1.99 -0.37 113.55 112.70 1adn h SER 59 Ca 0.11 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 1adn h SER 59 Cb 0.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1adn h SER 59 CO -0.02 0.00 -0.20 -0.08 -0.53 0.00 0.00 176.83 176.00 1adn h GLU 60 N 0.00 -0.54 -0.12 2.24 4.57 -1.84 -2.01 114.58 116.88 1adn h GLU 60 Ca 0.18 0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.43 1adn h GLU 60 Cb 0.79 0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.50 1adn h GLU 60 CO -0.00 -0.36 0.30 0.00 -1.18 0.00 0.00 179.01 177.77 1adn h ALA 61 N -1.37 1.54 0.16 2.92 0.00 -1.36 0.70 119.26 121.85 1adn h ALA 61 Ca -0.06 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.61 1adn h ALA 61 Cb 0.43 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.25 1adn h ALA 61 CO 0.09 -0.36 -1.07 1.37 0.00 0.00 0.00 179.25 179.28 1adn h LEU 62 N 0.00 0.54 -1.91 0.00 8.10 -1.21 -1.52 115.31 119.30 1adn h LEU 62 Ca 0.06 -0.93 0.16 0.00 0.11 0.00 0.00 57.88 57.27 1adn h LEU 62 Cb 0.66 -0.17 -0.02 0.00 -0.44 0.00 0.00 40.66 40.68 1adn h LEU 62 CO -0.00 1.50 0.53 0.00 -4.11 0.00 0.00 178.44 176.37 1adn h ALA 63 N 0.08 2.30 -0.36 0.17 0.00 0.67 1.44 119.26 123.56 1adn h ALA 63 Ca -0.20 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 1adn h ALA 63 Cb 1.78 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 1adn h ALA 63 CO 0.16 -0.81 -0.36 0.00 0.00 0.00 0.00 179.25 178.24 1adn h ALA 64 N 1.44 0.53 0.00 0.00 0.00 0.12 -3.49 119.26 117.86 1adn h ALA 64 Ca 0.25 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1adn h ALA 64 Cb 1.32 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1adn h ALA 64 CO -0.00 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.27 1adn n GLY 65 N 0.15 1.23 3.05 0.00 0.00 0.49 -5.10 105.19 105.01 1adn n GLY 65 Ca -0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.13 -1.17 -3.53 1.61 7.35 -0.60 -5.01 117.46 115.97 1adn n PHE 66 Ca 0.00 -1.81 -0.40 0.00 -0.76 0.00 0.00 57.45 54.48 1adn n PHE 66 Cb 0.00 -0.38 -0.11 0.00 0.35 0.00 0.00 39.48 39.35 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 -3.87 3.57 -0.06 -4.13 6.06 -1.26 -4.74 118.95 114.53 1adn s ARG 67 Ca 0.30 -0.58 -0.34 0.00 -2.50 0.00 0.00 55.73 52.61 1adn s ARG 67 Cb -0.02 -3.78 -0.12 0.00 0.06 0.00 0.00 34.95 31.08 1adn s ARG 67 CO 0.19 -0.40 1.86 -2.30 -2.50 0.00 0.00 175.30 172.15 1adn n PRO 68 N 5.11 2.20 -3.64 5.12 -0.02 -1.23 0.34 135.00 142.88 1adn n PRO 68 Ca -0.13 0.81 -0.28 0.00 -2.02 0.00 0.00 63.50 61.88 1adn n PRO 68 Cb 0.50 -2.65 -0.12 0.00 -0.02 0.00 0.00 33.50 31.21 1adn n PRO 68 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1adn n LYS 70 N 2.97 0.00 0.09 0.00 2.85 -1.26 -2.64 118.16 120.16 1adn n LYS 70 Ca 0.18 0.00 -0.04 0.00 -1.05 0.00 0.00 58.31 57.41 1adn n LYS 70 Cb 0.39 -0.47 -0.02 0.00 -0.65 0.00 0.00 35.03 34.28 1adn n LYS 70 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1adn h ARG 71 N 0.00 -0.22 0.00 -1.58 3.08 -1.99 -3.33 114.38 110.34 1adn h ARG 71 Ca 0.00 0.01 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 1adn h ARG 71 Cb 0.00 0.05 -0.12 0.00 0.08 0.00 0.00 29.97 29.98 1adn h ARG 71 CO 0.00 -0.15 -0.00 0.00 -1.07 0.00 0.00 179.97 178.75 1adn n GLN 73 N 1.18 0.04 0.00 0.00 -0.06 -1.26 -4.39 117.38 112.88 1adn n GLN 73 Ca -0.01 -0.02 0.00 0.00 -2.00 0.00 0.00 57.00 54.97 1adn n GLN 73 Cb 0.72 -1.32 0.00 0.00 -4.06 0.00 0.00 30.24 25.59 1adn n GLN 73 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 1adn n PRO 74 N 6.81 2.02 0.00 3.69 -0.05 -1.26 -4.97 135.00 141.24 1adn n PRO 74 Ca 0.66 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 64.11 1adn n PRO 74 Cb 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.56 1adn n PRO 74 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 175.50 171.98 1adn n ASP 75 N 0.00 0.00 -3.66 3.54 2.03 -1.26 -5.14 116.55 112.06 1adn n ASP 75 Ca 0.00 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.20 1adn n ASP 75 Cb 0.00 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.32 1adn n ASP 75 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1adn s LYS 76 N 0.65 0.69 0.00 -0.67 2.20 -1.26 -5.06 119.74 116.30 1adn s LYS 76 Ca 0.00 0.97 0.00 0.00 -0.36 0.00 0.00 55.97 56.58 1adn s LYS 76 Cb 0.00 0.25 0.00 0.00 -1.51 0.00 0.00 37.83 36.57 1adn s LYS 76 CO 0.00 -0.11 0.00 0.00 -0.36 0.00 0.00 175.35 174.88 1adn n ALA 77 N 3.38 0.00 0.00 3.13 0.00 -1.26 -4.44 120.51 121.32 1adn n ALA 77 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1adn n ALA 77 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 -3.87 0.00 -3.48 0.00 4.13 -1.26 -5.20 115.26 105.58 1adn n ASN 78 Ca 0.00 0.00 -0.32 0.00 1.68 0.00 0.00 54.58 55.94 1adn n ASN 78 Cb 0.00 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.26 1adn n ASN 78 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 1adn n PRO 79 N 0.00 0.00 -1.85 3.52 -0.02 -1.26 -4.75 135.00 130.64 1adn n PRO 79 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.47 1adn n PRO 79 Cb 0.00 -0.85 -0.01 0.00 -0.02 0.00 0.00 33.50 32.63 1adn n PRO 79 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1adn n ARG 80 N 1.70 -1.30 -0.79 -0.52 0.63 -1.26 -5.05 116.66 110.07 1adn n ARG 80 Ca 0.02 1.34 -0.35 0.00 -0.92 0.00 0.00 57.85 57.95 1adn n ARG 80 Cb 0.44 -2.29 0.12 0.00 0.45 0.00 0.00 32.46 31.18 1adn n ARG 80 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1adn n GLN 81 N 0.41 -1.02 -3.74 -0.14 0.00 -1.26 -5.07 117.38 106.55 1adn n GLN 81 Ca -0.08 -0.29 -0.13 0.00 0.00 0.00 0.00 57.00 56.49 1adn n GLN 81 Cb 0.13 -1.43 -0.14 0.00 0.00 0.00 0.00 30.24 28.80 1adn n GLN 81 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.06 173.68 1adn s HIS 82 N -2.14 -0.21 0.12 2.61 -3.43 -1.26 -5.07 115.29 105.91 1adn s HIS 82 Ca 0.48 0.57 -0.07 0.00 -0.80 0.00 0.00 55.06 55.24 1adn s HIS 82 Cb -0.03 -0.05 -0.11 0.00 -1.43 0.00 0.00 32.58 30.97 1adn s HIS 82 CO 0.66 -0.19 1.30 -0.09 -2.00 0.00 0.00 174.74 174.43 1adn h ARG 83 N 7.24 0.54 0.00 -0.38 2.43 -2.08 -3.46 114.38 118.68 1adn h ARG 83 Ca -0.42 -0.52 0.00 0.00 -0.81 0.00 0.00 59.98 58.22 1adn h ARG 83 Cb 1.14 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 1adn h ARG 83 CO 0.41 1.15 0.00 -0.11 -1.51 0.00 0.00 179.97 179.91 1adn n LEU 84 N -3.82 0.00 0.00 3.80 7.94 -1.26 -5.03 117.00 118.63 1adn n LEU 84 Ca -0.07 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.83 1adn n LEU 84 Cb 0.81 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.76 1adn n LEU 84 CO 0.52 0.00 0.00 -0.67 -1.11 0.00 0.00 177.39 176.13 1adn n ASP 85 N 0.00 0.00 -2.03 1.96 2.03 -1.26 -4.95 116.55 112.30 1adn n ASP 85 Ca 0.00 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.17 1adn n ASP 85 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 1adn n ASP 85 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1adn n LYS 86 N 0.00 -1.81 -0.12 -0.67 3.00 -1.26 -4.81 118.16 112.49 1adn n LYS 86 Ca 0.00 0.73 -0.17 0.00 -0.00 0.00 0.00 58.31 58.87 1adn n LYS 86 Cb 0.00 -5.20 -0.11 0.00 0.00 0.00 0.00 35.03 29.72 1adn n LYS 86 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 1adn n ILE 87 N -2.88 1.42 -4.09 3.15 0.00 -1.26 -5.03 119.36 110.67 1adn n ILE 87 Ca -0.15 -0.54 -0.23 0.00 0.00 0.00 0.00 62.75 61.83 1adn n ILE 87 Cb 0.56 -1.38 -0.06 0.00 0.00 0.00 0.00 39.64 38.76 1adn n ILE 87 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1adn s THR 88 N -2.50 3.36 0.00 9.51 -4.23 -1.26 -5.12 115.64 115.41 1adn s THR 88 Ca -0.33 -1.65 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 1adn s THR 88 Cb 0.09 -3.04 0.00 0.00 1.34 0.00 0.00 72.50 70.89 1adn s THR 88 CO 0.57 -0.24 0.00 1.57 -0.54 0.00 0.00 174.62 175.98 1adn n HIS 89 N -1.14 0.00 -2.79 3.99 -0.00 -1.26 -5.06 115.22 108.95 1adn n HIS 89 Ca -0.04 0.00 -0.32 0.00 0.46 0.00 0.00 57.72 57.82 1adn n HIS 89 Cb 0.60 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 30.42 1adn n HIS 89 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1adn s ALA 90 N -3.21 3.14 -0.08 1.57 0.00 -1.26 -5.10 121.76 116.82 1adn s ALA 90 Ca 0.00 0.21 -0.03 0.00 0.00 0.00 0.00 51.96 52.14 1adn s ALA 90 Cb 0.00 -3.02 0.04 0.00 0.00 0.00 0.00 23.12 20.15 1adn s ALA 90 CO 0.00 0.07 0.16 0.00 0.00 0.00 0.00 175.76 176.00