#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dks s GLN 2 N 0.00 3.21 -0.17 0.00 2.00 -1.26 -5.07 119.66 118.37 3dks s GLN 2 Ca 0.00 -0.77 -0.05 0.00 -2.00 0.00 0.00 55.36 52.54 3dks s GLN 2 Cb 0.00 -3.91 -0.03 0.00 0.80 0.00 0.00 33.01 29.87 3dks s GLN 2 CO 0.00 -0.68 -0.01 0.71 -0.50 0.00 0.00 175.29 174.81 3dks s TYR 3 N 1.87 3.06 -0.01 1.67 2.02 -1.26 -4.99 117.35 119.71 3dks s TYR 3 Ca 0.08 -0.30 0.03 0.00 -0.37 0.00 0.00 57.07 56.51 3dks s TYR 3 Cb -0.18 -2.02 -0.00 0.00 -0.40 0.00 0.00 41.96 39.36 3dks s TYR 3 CO 0.11 -0.08 -0.09 -1.21 -1.57 0.00 0.00 175.55 172.71 3dks s GLU 4 N 0.58 0.78 0.22 -0.62 2.02 -1.26 -5.07 118.70 115.35 3dks s GLU 4 Ca -0.01 -0.31 -0.32 0.00 0.02 0.00 0.00 54.97 54.35 3dks s GLU 4 Cb -0.14 -0.75 -0.14 0.00 0.10 0.00 0.00 34.13 33.20 3dks s GLU 4 CO 0.02 0.17 1.44 -3.47 0.02 0.00 0.00 175.26 173.44 3dks n ASP 5 N 2.99 2.78 0.00 -0.19 2.03 -1.26 -1.55 116.55 121.35 3dks n ASP 5 Ca -0.15 1.13 0.00 0.00 0.52 0.00 0.00 54.79 56.29 3dks n ASP 5 Cb 0.56 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.54 3dks n ASP 5 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3dks n GLY 6 N 2.45 2.67 0.00 0.27 0.00 0.14 -4.93 105.19 105.79 3dks n GLY 6 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3dks n GLY 6 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3dks n LYS 7 N -2.00 0.00 0.10 1.61 -0.00 -0.60 -4.81 118.16 112.47 3dks n LYS 7 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.44 3dks n LYS 7 Cb 0.00 0.00 0.44 0.00 -0.00 0.00 0.00 35.03 35.47 3dks n LYS 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 3dks n GLN 8 N -0.06 0.22 -3.74 -1.58 3.00 -1.22 -3.70 117.38 110.31 3dks n GLN 8 Ca 0.00 0.24 -0.10 0.00 -0.01 0.00 0.00 57.00 57.13 3dks n GLN 8 Cb 0.00 -1.78 -0.04 0.00 0.00 0.00 0.00 30.24 28.42 3dks n GLN 8 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.06 178.58 3dks s TYR 9 N -3.13 -0.13 0.23 1.08 1.13 -1.26 -1.06 117.35 114.20 3dks s TYR 9 Ca 0.10 -0.21 0.06 0.00 -1.41 0.00 0.00 57.07 55.61 3dks s TYR 9 Cb 0.12 0.42 -0.05 0.00 -1.10 0.00 0.00 41.96 41.35 3dks s TYR 9 CO 0.54 -0.94 -0.08 0.95 -2.51 0.00 0.00 175.55 173.52 3dks s THR 10 N -3.87 1.45 -0.16 -3.49 -4.23 0.39 0.25 115.64 105.98 3dks s THR 10 Ca 0.09 -2.12 -0.04 0.00 -1.18 0.00 0.00 61.69 58.45 3dks s THR 10 Cb -0.01 -2.22 -0.03 0.00 1.34 0.00 0.00 72.50 71.58 3dks s THR 10 CO -0.02 -0.46 -0.04 -0.89 -0.54 0.00 0.00 174.62 172.67 3dks s THR 11 N -3.14 3.89 0.23 3.99 2.01 -1.26 -0.49 115.64 120.86 3dks s THR 11 Ca 0.25 -0.36 -0.31 0.00 0.31 0.00 0.00 61.69 61.59 3dks s THR 11 Cb 0.03 -2.71 -0.10 0.00 0.01 0.00 0.00 72.50 69.73 3dks s THR 11 CO 0.08 0.49 1.50 -0.76 -0.69 0.00 0.00 174.62 175.24 3dks s LEU 12 N 0.39 4.37 0.18 4.42 1.43 -0.07 -4.92 118.68 124.48 3dks s LEU 12 Ca -0.04 2.68 -0.14 0.00 -1.03 0.00 0.00 54.13 55.61 3dks s LEU 12 Cb -0.14 -3.61 0.15 0.00 0.03 0.00 0.00 46.19 42.61 3dks s LEU 12 CO 0.03 -0.77 1.75 -0.33 0.23 0.00 0.00 176.35 177.26 3dks h GLU 13 N 5.61 0.32 -3.89 1.70 5.08 -1.98 -3.34 114.58 118.08 3dks h GLU 13 Ca -0.45 -0.02 -0.68 0.00 -1.00 0.00 0.00 59.36 57.21 3dks h GLU 13 Cb 1.21 -0.07 -0.37 0.00 0.50 0.00 0.00 28.75 30.02 3dks h GLU 13 CO 0.83 0.21 -0.51 0.15 -1.00 0.00 0.00 179.01 178.69 3dks s LYS 14 N -6.14 2.18 0.48 2.33 1.02 -1.26 -5.10 119.74 113.24 3dks s LYS 14 Ca -0.13 -2.31 -0.23 0.00 0.02 0.00 0.00 55.97 53.33 3dks s LYS 14 Cb 0.14 -3.55 -0.09 0.00 -0.52 0.00 0.00 37.83 33.82 3dks s LYS 14 CO 0.73 -1.11 1.02 -2.30 -0.92 0.00 0.00 175.35 172.76 3dks n PRO 15 N 3.75 1.28 -3.47 -1.68 -0.02 -1.26 -4.96 135.00 128.65 3dks n PRO 15 Ca 0.04 0.47 -0.37 0.00 -2.02 0.00 0.00 63.50 61.62 3dks n PRO 15 Cb 0.38 -2.12 -0.07 0.00 -0.02 0.00 0.00 33.50 31.67 3dks n PRO 15 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3dks s VAL 16 N -1.35 5.26 0.21 -1.45 1.01 0.16 -5.00 120.40 119.23 3dks s VAL 16 Ca 0.67 0.61 -0.30 0.00 0.00 0.00 0.00 61.98 62.96 3dks s VAL 16 Cb -0.50 -3.67 -0.08 0.00 0.00 0.00 0.00 36.38 32.12 3dks s VAL 16 CO 0.54 0.32 1.10 0.00 0.00 0.00 0.00 175.10 177.06 3dks s ALA 17 N 0.89 3.38 -0.18 5.51 0.00 -1.26 -3.82 121.76 126.29 3dks s ALA 17 Ca 0.17 0.84 0.00 0.00 0.00 0.00 0.00 51.96 52.97 3dks s ALA 17 Cb -0.14 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.64 3dks s ALA 17 CO 0.06 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.05 3dks n GLY 18 N 1.77 0.47 3.76 0.00 0.00 -1.26 -5.01 105.19 104.92 3dks n GLY 18 Ca 0.01 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 3dks n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dks s ALA 19 N -1.81 2.58 0.81 4.61 0.00 -1.25 -5.00 121.76 121.70 3dks s ALA 19 Ca 0.00 0.92 -0.13 0.00 0.00 0.00 0.00 51.96 52.76 3dks s ALA 19 Cb 0.00 -3.42 0.09 0.00 0.00 0.00 0.00 23.12 19.79 3dks s ALA 19 CO 0.00 -1.06 1.18 -2.14 0.00 0.00 0.00 175.76 173.73 3dks s PRO 20 N -3.37 1.65 0.11 0.00 0.02 -1.26 -4.69 135.00 127.46 3dks s PRO 20 Ca 0.75 1.64 -0.21 0.00 0.02 0.00 0.00 61.00 63.20 3dks s PRO 20 Cb -0.28 -1.79 -0.09 0.00 0.02 0.00 0.00 34.50 32.36 3dks s PRO 20 CO 0.32 -2.18 1.75 1.96 -0.33 0.00 0.00 177.00 178.52 3dks h GLN 21 N -1.04 0.11 -3.69 5.54 4.20 -1.91 -3.24 115.11 115.08 3dks h GLN 21 Ca -0.45 -0.01 -0.49 0.00 0.06 0.00 0.00 58.65 57.76 3dks h GLN 21 Cb 1.28 -0.02 -0.39 0.00 0.30 0.00 0.00 27.48 28.65 3dks h GLN 21 CO 0.46 0.07 -0.77 0.08 -0.67 0.00 0.00 178.83 178.01 3dks s VAL 22 N -6.18 0.52 -0.20 -0.54 1.01 -1.25 -0.34 120.40 113.42 3dks s VAL 22 Ca -0.13 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.60 3dks s VAL 22 Cb 0.08 -0.84 0.04 0.00 0.00 0.00 0.00 36.38 35.66 3dks s VAL 22 CO 0.68 0.04 -0.11 -0.22 0.00 0.00 0.00 175.10 175.49 3dks s LEU 23 N 1.89 2.34 -0.15 3.92 2.96 0.33 -0.82 118.68 129.15 3dks s LEU 23 Ca 0.02 -0.90 -0.07 0.00 -0.22 0.00 0.00 54.13 52.96 3dks s LEU 23 Cb -0.15 -1.27 -0.04 0.00 0.50 0.00 0.00 46.19 45.24 3dks s LEU 23 CO -0.07 -0.14 0.08 -0.70 -1.32 0.00 0.00 176.35 174.21 3dks s GLU 24 N 1.37 3.66 -0.02 1.98 2.12 0.23 -0.55 118.70 127.50 3dks s GLU 24 Ca -0.01 -0.27 0.02 0.00 0.36 0.00 0.00 54.97 55.07 3dks s GLU 24 Cb -0.16 -3.16 -0.03 0.00 0.26 0.00 0.00 34.13 31.04 3dks s GLU 24 CO -0.08 0.51 -0.06 -0.06 -0.54 0.00 0.00 175.26 175.02 3dks s PHE 25 N -0.28 2.92 0.22 5.30 0.08 0.19 -0.79 117.98 125.61 3dks s PHE 25 Ca 0.09 -0.01 -0.11 0.00 0.12 0.00 0.00 56.93 57.01 3dks s PHE 25 Cb -0.12 -1.64 -0.01 0.00 -0.57 0.00 0.00 43.02 40.69 3dks s PHE 25 CO 0.01 0.37 0.42 -0.59 -0.10 0.00 0.00 175.22 175.33 3dks s PHE 26 N -0.96 0.40 0.01 0.36 -0.71 -0.61 -2.68 117.98 113.80 3dks s PHE 26 Ca 0.16 -0.75 0.03 0.00 -1.04 0.00 0.00 56.93 55.33 3dks s PHE 26 Cb -0.11 0.10 -0.01 0.00 -1.21 0.00 0.00 43.02 41.78 3dks s PHE 26 CO 0.06 -0.91 -0.09 0.45 -1.34 0.00 0.00 175.22 173.40 3dks s SER 27 N -3.01 1.00 0.23 1.98 0.15 -1.26 -1.42 113.70 111.37 3dks s SER 27 Ca 0.22 -0.26 0.21 0.00 0.70 0.00 0.00 55.95 56.82 3dks s SER 27 Cb 0.01 -0.08 0.94 0.00 -1.71 0.00 0.00 66.02 65.18 3dks s SER 27 CO 0.07 0.03 1.64 0.49 1.20 0.00 0.00 173.24 176.67 3dks n PHE 28 N 2.48 0.67 0.20 3.44 3.72 -1.26 -2.07 117.46 124.64 3dks n PHE 28 Ca -0.16 0.28 0.12 0.00 -0.05 0.00 0.00 57.45 57.65 3dks n PHE 28 Cb 0.56 -0.96 0.09 0.00 -0.94 0.00 0.00 39.48 38.24 3dks n PHE 28 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 176.76 177.45 3dks h PHE 29 N 0.00 0.00 -3.27 1.38 0.04 -1.95 -3.42 116.94 109.72 3dks h PHE 29 Ca 0.00 0.00 -0.58 0.00 2.80 0.00 0.00 57.97 60.19 3dks h PHE 29 Cb 0.26 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.34 3dks h PHE 29 CO 0.00 0.00 0.48 0.00 -0.60 0.00 0.00 178.31 178.19 3dks h PRO 31 N 7.43 0.25 -0.01 0.00 0.13 -1.91 -1.42 132.00 136.47 3dks h PRO 31 Ca -0.26 -0.11 -0.18 0.00 -0.87 0.00 0.00 66.00 64.59 3dks h PRO 31 Cb 1.11 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 3dks h PRO 31 CO 0.87 0.58 -0.80 1.25 -0.23 0.00 0.00 178.00 179.66 3dks h HIS 32 N 0.22 0.16 -0.70 1.56 2.76 -1.92 -1.31 115.15 115.92 3dks h HIS 32 Ca 0.03 -0.08 -0.03 0.00 -2.20 0.00 0.00 60.37 58.08 3dks h HIS 32 Cb 0.73 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.64 3dks h HIS 32 CO 0.01 0.86 0.33 0.00 -1.30 0.00 0.00 177.93 177.83 3dks h TYR 34 N 0.99 0.29 -0.41 0.00 5.03 -1.09 -0.80 116.97 120.99 3dks h TYR 34 Ca 0.24 0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.62 3dks h TYR 34 Cb 0.14 -0.09 -0.05 0.00 1.55 0.00 0.00 36.73 38.28 3dks h TYR 34 CO 0.01 0.16 0.13 0.37 -1.32 0.00 0.00 178.16 177.50 3dks h GLN 35 N 0.33 0.27 -0.78 1.82 5.75 -0.95 0.25 115.11 121.79 3dks h GLN 35 Ca 0.13 -0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.65 3dks h GLN 35 Cb 0.04 -0.06 -0.05 0.00 1.07 0.00 0.00 27.48 28.48 3dks h GLN 35 CO -0.09 0.18 0.49 0.74 -2.65 0.00 0.00 178.83 177.50 3dks h PHE 36 N 0.28 0.92 0.00 3.99 -1.00 -0.46 0.26 116.94 120.92 3dks h PHE 36 Ca 0.19 0.03 -0.07 0.00 2.81 0.00 0.00 57.97 60.92 3dks h PHE 36 Cb 0.19 -0.30 -0.01 0.00 3.61 0.00 0.00 35.95 39.44 3dks h PHE 36 CO -0.16 0.51 -0.44 1.49 -1.61 0.00 0.00 178.31 178.10 3dks h GLU 37 N 0.94 0.00 0.00 1.51 4.57 -0.91 0.10 114.58 120.80 3dks h GLU 37 Ca 0.32 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.38 3dks h GLU 37 Cb 0.05 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 3dks h GLU 37 CO -0.13 0.78 -1.09 0.93 -1.18 0.00 0.00 179.01 178.33 3dks h GLU 38 N -1.00 0.00 0.00 1.92 4.39 -0.59 -3.27 114.58 116.03 3dks h GLU 38 Ca -0.11 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.50 3dks h GLU 38 Cb 0.92 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.56 3dks h GLU 38 CO -0.07 0.27 -1.01 0.28 -1.16 0.00 0.00 179.01 177.32 3dks n VAL 39 N -2.93 1.13 0.09 3.13 0.31 -0.79 -4.76 118.33 114.52 3dks n VAL 39 Ca -0.05 0.09 -0.03 0.00 -0.01 0.00 0.00 64.34 64.34 3dks n VAL 39 Cb 0.75 -1.86 -0.06 0.00 -0.91 0.00 0.00 33.84 31.75 3dks n VAL 39 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3dks h LEU 40 N -0.50 0.00 -1.98 7.52 4.07 -1.08 -3.48 115.31 119.84 3dks h LEU 40 Ca -0.14 0.00 -0.42 0.00 0.08 0.00 0.00 57.88 57.40 3dks h LEU 40 Cb 0.82 0.00 0.06 0.00 1.08 0.00 0.00 40.66 42.62 3dks h LEU 40 CO -0.09 0.81 -0.85 1.41 -1.08 0.00 0.00 178.44 178.64 3dks n HIS 41 N -3.30 -1.91 -0.01 1.13 8.25 0.13 -4.88 115.22 114.63 3dks n HIS 41 Ca 0.01 0.79 -0.09 0.00 -0.26 0.00 0.00 57.72 58.16 3dks n HIS 41 Cb 0.86 -4.22 -0.04 0.00 1.12 0.00 0.00 29.99 27.71 3dks n HIS 41 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3dks h ILE 42 N -1.82 0.81 -0.59 1.59 1.08 -1.21 -2.15 117.51 115.21 3dks h ILE 42 Ca -0.62 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 63.87 3dks h ILE 42 Cb 1.36 0.81 -0.03 0.00 -3.07 0.00 0.00 36.82 35.88 3dks h ILE 42 CO 0.55 0.00 0.38 0.28 -0.69 0.00 0.00 178.15 178.67 3dks h SER 43 N -0.04 0.64 -0.38 1.72 0.02 -1.91 0.22 113.55 113.81 3dks h SER 43 Ca 0.07 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 3dks h SER 43 Cb 0.15 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 3dks h SER 43 CO -0.16 0.45 0.19 0.44 -1.14 0.00 0.00 176.83 176.62 3dks h ASP 44 N 0.76 0.50 -0.24 3.07 3.32 -1.92 -0.55 116.42 121.36 3dks h ASP 44 Ca 0.23 -0.12 -0.13 0.00 0.02 0.00 0.00 57.03 57.03 3dks h ASP 44 Cb -0.04 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 3dks h ASP 44 CO -0.07 0.47 -0.29 0.78 -1.72 0.00 0.00 179.24 178.41 3dks h ASN 45 N 0.48 0.77 -0.17 6.45 2.35 -1.12 -1.49 115.58 122.86 3dks h ASN 45 Ca 0.13 -0.30 -0.01 0.00 -0.55 0.00 0.00 56.30 55.57 3dks h ASN 45 Cb 0.10 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 3dks h ASN 45 CO -0.02 1.01 0.07 0.58 -1.65 0.00 0.00 177.43 177.43 3dks h VAL 46 N 0.64 1.15 -0.74 2.81 2.07 -0.89 -3.19 116.25 118.10 3dks h VAL 46 Ca 0.08 -0.44 0.05 0.00 0.82 0.00 0.00 66.70 67.21 3dks h VAL 46 Cb 0.81 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.66 3dks h VAL 46 CO 0.07 0.14 0.44 0.50 0.02 0.00 0.00 177.57 178.74 3dks h LYS 47 N 0.12 0.79 -0.15 1.57 3.64 -0.89 -2.27 116.57 119.39 3dks h LYS 47 Ca 0.06 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 3dks h LYS 47 Cb 0.16 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 3dks h LYS 47 CO -0.01 0.52 0.14 0.87 -2.27 0.00 0.00 179.45 178.71 3dks h LYS 48 N 0.82 0.00 -0.11 1.90 1.57 -1.26 -2.78 116.57 116.70 3dks h LYS 48 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 3dks h LYS 48 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3dks h LYS 48 CO -0.16 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.35 3dks n LYS 49 N -4.01 1.29 -2.40 3.15 5.02 -0.88 -5.01 118.16 115.31 3dks n LYS 49 Ca 0.01 -1.48 -0.37 0.00 -2.02 0.00 0.00 58.31 54.45 3dks n LYS 49 Cb 0.26 -1.26 -0.02 0.00 -0.02 0.00 0.00 35.03 33.99 3dks n LYS 49 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3dks s LEU 50 N -1.04 4.07 0.97 -0.35 1.43 -1.03 -4.72 118.68 118.01 3dks s LEU 50 Ca 0.18 2.17 -0.11 0.00 -1.03 0.00 0.00 54.13 55.34 3dks s LEU 50 Cb 0.11 -4.22 0.18 0.00 0.03 0.00 0.00 46.19 42.29 3dks s LEU 50 CO 0.16 -0.71 1.12 -2.84 0.23 0.00 0.00 176.35 174.31 3dks s PRO 51 N -2.62 0.56 0.40 1.29 0.02 -1.26 -4.97 135.00 128.42 3dks s PRO 51 Ca 0.61 1.38 -0.27 0.00 0.02 0.00 0.00 61.00 62.74 3dks s PRO 51 Cb -0.25 -1.69 -0.09 0.00 0.02 0.00 0.00 34.50 32.49 3dks s PRO 51 CO 0.31 -2.89 1.37 -1.21 -0.33 0.00 0.00 177.00 174.25 3dks s GLU 52 N -4.61 3.97 -0.04 5.54 0.41 -1.26 -3.00 118.70 119.71 3dks s GLU 52 Ca 0.67 2.31 0.00 0.00 -0.41 0.00 0.00 54.97 57.54 3dks s GLU 52 Cb -0.23 -2.81 0.00 0.00 -1.78 0.00 0.00 34.13 29.31 3dks s GLU 52 CO 0.60 -0.55 0.00 0.41 -0.49 0.00 0.00 175.26 175.23 3dks n GLY 53 N 0.62 0.45 3.36 -1.39 0.00 -1.26 -5.01 105.19 101.96 3dks n GLY 53 Ca 0.03 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 3dks n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dks s VAL 54 N -1.88 3.90 0.22 1.61 1.01 -1.16 -5.10 120.40 119.00 3dks s VAL 54 Ca 0.00 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 61.50 3dks s VAL 54 Cb 0.00 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 3dks s VAL 54 CO 0.00 0.22 0.31 -1.59 0.00 0.00 0.00 175.10 174.03 3dks s LYS 55 N 1.52 3.33 -0.04 2.72 -2.85 -1.26 -4.87 119.74 118.29 3dks s LYS 55 Ca 0.04 -0.77 -0.01 0.00 -1.00 0.00 0.00 55.97 54.23 3dks s LYS 55 Cb -0.16 -2.85 -0.04 0.00 -2.06 0.00 0.00 37.83 32.73 3dks s LYS 55 CO 0.01 0.45 0.04 -1.64 0.10 0.00 0.00 175.35 174.31 3dks s MET 56 N -3.75 2.99 -0.03 1.78 -1.94 -1.26 -3.80 119.30 113.29 3dks s MET 56 Ca 0.34 -0.47 0.04 0.00 -1.71 0.00 0.00 55.69 53.89 3dks s MET 56 Cb -0.09 -2.81 -0.00 0.00 2.01 0.00 0.00 34.83 33.93 3dks s MET 56 CO 0.28 0.67 -0.16 0.99 -0.01 0.00 0.00 175.02 176.78 3dks s THR 57 N -1.05 1.35 -0.07 2.05 2.01 -0.00 -5.02 115.64 114.91 3dks s THR 57 Ca 0.18 -0.69 -0.00 0.00 0.31 0.00 0.00 61.69 61.50 3dks s THR 57 Cb -0.12 -1.16 0.02 0.00 0.01 0.00 0.00 72.50 71.26 3dks s THR 57 CO 0.08 0.39 -0.04 -0.75 -0.69 0.00 0.00 174.62 173.62 3dks s LYS 58 N -0.05 0.91 0.03 4.92 2.20 -1.26 -0.60 119.74 125.90 3dks s LYS 58 Ca -0.01 -0.06 0.09 0.00 -0.36 0.00 0.00 55.97 55.62 3dks s LYS 58 Cb -0.10 -1.05 -0.03 0.00 -1.51 0.00 0.00 37.83 35.14 3dks s LYS 58 CO 0.01 -0.19 -0.26 0.71 -0.36 0.00 0.00 175.35 175.26 3dks s TYR 59 N 1.46 2.27 0.40 4.03 2.02 0.03 -4.99 117.35 122.57 3dks s TYR 59 Ca -0.02 -0.41 -0.12 0.00 -0.37 0.00 0.00 57.07 56.14 3dks s TYR 59 Cb -0.13 -1.38 -0.07 0.00 -0.40 0.00 0.00 41.96 39.97 3dks s TYR 59 CO -0.03 0.09 0.79 -1.58 -1.57 0.00 0.00 175.55 173.24 3dks s HIS 60 N -0.76 3.44 0.16 2.71 2.46 -1.26 -1.57 115.29 120.48 3dks s HIS 60 Ca 0.11 1.14 0.08 0.00 0.47 0.00 0.00 55.06 56.86 3dks s HIS 60 Cb -0.10 -2.51 -0.04 0.00 -0.13 0.00 0.00 32.58 29.80 3dks s HIS 60 CO 0.01 -0.09 -0.03 0.14 -2.47 0.00 0.00 174.74 172.30 3dks s VAL 61 N -2.31 3.57 0.05 0.89 -7.23 -0.51 -4.81 120.40 110.05 3dks s VAL 61 Ca 0.53 -1.44 0.05 0.00 -1.81 0.00 0.00 61.98 59.31 3dks s VAL 61 Cb -0.10 -2.77 -0.24 0.00 0.56 0.00 0.00 36.38 33.83 3dks s VAL 61 CO 0.28 -0.08 1.01 0.78 -0.31 0.00 0.00 175.10 176.78 3dks h ASN 62 N 2.87 0.12 0.00 4.85 -0.26 -1.92 -3.41 115.58 117.83 3dks h ASN 62 Ca -0.47 -0.16 0.00 0.00 -0.56 0.00 0.00 56.30 55.11 3dks h ASN 62 Cb 1.20 -0.04 0.00 0.00 -1.06 0.00 0.00 38.32 38.42 3dks h ASN 62 CO 0.57 1.13 0.00 2.22 -1.06 0.00 0.00 177.43 180.29 3dks n PHE 63 N -3.30 0.00 -5.06 1.19 1.16 -1.26 -4.33 117.46 105.86 3dks n PHE 63 Ca -0.09 0.00 -0.29 0.00 -1.87 0.00 0.00 57.45 55.20 3dks n PHE 63 Cb 1.00 0.00 -0.17 0.00 -1.61 0.00 0.00 39.48 38.70 3dks n PHE 63 CO 0.00 0.00 0.00 -1.64 -1.87 0.00 0.00 176.76 173.25 3dks s MET 64 N -2.00 2.38 0.00 3.97 -1.94 -1.26 -4.80 119.30 115.65 3dks s MET 64 Ca 0.05 -0.76 0.00 0.00 -1.71 0.00 0.00 55.69 53.27 3dks s MET 64 Cb 0.02 -1.95 0.00 0.00 2.01 0.00 0.00 34.83 34.92 3dks s MET 64 CO 0.04 0.25 0.00 0.41 -0.01 0.00 0.00 175.02 175.71 3dks n GLY 65 N 3.26 0.61 7.00 -0.03 0.00 -1.26 -3.89 105.19 110.87 3dks n GLY 65 Ca -0.19 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.43 3dks n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dks n GLY 66 N -2.69 3.21 0.22 -0.02 0.00 -1.26 -2.30 105.19 102.35 3dks n GLY 66 Ca 0.00 -0.20 0.03 0.00 0.00 0.00 0.00 46.02 45.85 3dks n GLY 66 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3dks h ASP 67 N 3.63 0.14 0.07 1.61 3.32 -1.92 -1.39 116.42 121.88 3dks h ASP 67 Ca 0.00 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 56.95 3dks h ASP 67 Cb 0.00 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3dks h ASP 67 CO 0.00 0.36 -0.20 0.25 -1.72 0.00 0.00 179.24 177.93 3dks h LEU 68 N 0.13 0.25 -0.67 1.55 6.46 -1.82 -0.96 115.31 120.25 3dks h LEU 68 Ca 0.02 -0.06 -0.04 0.00 -0.12 0.00 0.00 57.88 57.68 3dks h LEU 68 Cb 0.46 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.29 3dks h LEU 68 CO 0.03 0.47 0.27 1.23 -0.62 0.00 0.00 178.44 179.82 3dks h GLY 69 N 0.89 1.07 1.03 3.75 0.00 -0.84 -0.36 103.07 108.61 3dks h GLY 69 Ca 0.04 -0.58 -0.04 0.00 0.00 0.00 0.00 47.33 46.75 3dks h GLY 69 CO 0.03 0.55 0.27 0.50 0.00 0.00 0.00 176.54 177.90 3dks h LYS 70 N 0.94 1.08 -0.56 4.80 1.57 -1.03 -1.47 116.57 121.90 3dks h LYS 70 Ca 0.22 -0.20 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 3dks h LYS 70 Cb 0.21 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 3dks h LYS 70 CO -0.02 0.89 0.10 -0.44 -0.57 0.00 0.00 179.45 179.42 3dks h ASP 71 N 1.03 0.84 -0.56 0.86 3.32 -0.87 -1.71 116.42 119.33 3dks h ASP 71 Ca 0.24 -0.17 -0.07 0.00 0.02 0.00 0.00 57.03 57.04 3dks h ASP 71 Cb 0.23 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3dks h ASP 71 CO -0.02 0.85 0.07 -0.07 -1.72 0.00 0.00 179.24 178.36 3dks h LEU 72 N 0.85 0.94 -0.67 1.55 3.38 -0.79 0.94 115.31 121.51 3dks h LEU 72 Ca 0.18 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.94 3dks h LEU 72 Cb 0.36 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3dks h LEU 72 CO 0.01 0.95 0.44 0.74 0.09 0.00 0.00 178.44 180.67 3dks h THR 73 N 0.92 1.16 -0.38 0.22 2.02 -0.91 0.82 112.91 116.76 3dks h THR 73 Ca 0.18 -0.31 -0.12 0.00 0.77 0.00 0.00 66.41 66.93 3dks h THR 73 Cb 0.43 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 3dks h THR 73 CO 0.01 0.16 -0.25 -0.61 0.37 0.00 0.00 175.52 175.21 3dks h GLN 74 N 0.90 0.78 -0.78 6.66 4.15 -1.08 -1.49 115.11 124.25 3dks h GLN 74 Ca 0.25 -0.33 -0.05 0.00 0.77 0.00 0.00 58.65 59.29 3dks h GLN 74 Cb -0.09 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.53 3dks h GLN 74 CO -0.06 0.95 0.30 0.00 -1.93 0.00 0.00 178.83 178.09 3dks h ALA 75 N 1.04 1.01 -0.43 3.38 0.00 -0.51 -0.91 119.26 122.85 3dks h ALA 75 Ca 0.09 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 3dks h ALA 75 Cb 0.77 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3dks h ALA 75 CO 0.06 0.65 -0.01 2.35 0.00 0.00 0.00 179.25 182.30 3dks h TRP 76 N 1.13 0.75 -0.58 0.00 2.91 -0.67 0.01 115.95 119.50 3dks h TRP 76 Ca 0.26 -0.10 -0.01 0.00 1.13 0.00 0.00 58.89 60.17 3dks h TRP 76 Cb 0.23 -0.21 -0.03 0.00 -0.51 0.00 0.00 29.16 28.65 3dks h TRP 76 CO 0.02 0.71 0.32 0.00 -1.03 0.00 0.00 178.44 178.47 3dks h ALA 77 N 1.32 0.74 -0.30 2.65 0.00 -0.85 0.03 119.26 122.86 3dks h ALA 77 Ca 0.13 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.98 3dks h ALA 77 Cb 0.43 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3dks h ALA 77 CO 0.02 0.25 0.08 0.28 0.00 0.00 0.00 179.25 179.88 3dks h VAL 78 N 0.78 0.89 -0.89 0.00 2.07 -0.62 -0.14 116.25 118.34 3dks h VAL 78 Ca 0.20 -0.07 0.07 0.00 0.82 0.00 0.00 66.70 67.73 3dks h VAL 78 Cb 0.03 0.67 -0.07 0.00 -1.52 0.00 0.00 31.29 30.41 3dks h VAL 78 CO -0.03 0.04 0.55 0.00 0.02 0.00 0.00 177.57 178.14 3dks h ALA 79 N 1.20 1.24 0.04 1.67 0.00 -0.57 -0.63 119.26 122.21 3dks h ALA 79 Ca 0.14 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3dks h ALA 79 Cb 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3dks h ALA 79 CO -0.16 0.27 -0.02 0.52 0.00 0.00 0.00 179.25 179.86 3dks h MET 80 N 0.97 -0.05 -1.00 0.00 2.86 -0.65 0.13 114.93 117.20 3dks h MET 80 Ca 0.40 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 58.12 3dks h MET 80 Cb 0.23 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 31.83 3dks h MET 80 CO -0.19 0.25 0.64 0.00 1.06 0.00 0.00 176.91 178.67 3dks h ALA 81 N 0.60 1.45 -0.00 6.32 0.00 -0.76 -2.26 119.26 124.60 3dks h ALA 81 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3dks h ALA 81 Cb 0.32 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3dks h ALA 81 CO 0.01 0.38 -0.39 1.28 0.00 0.00 0.00 179.25 180.52 3dks n LEU 82 N -4.53 0.53 -2.56 0.00 4.77 -0.27 -4.97 117.00 109.98 3dks n LEU 82 Ca 0.16 0.01 -0.17 0.00 -0.03 0.00 0.00 56.01 55.98 3dks n LEU 82 Cb 0.23 -0.25 0.05 0.00 -2.33 0.00 0.00 43.42 41.12 3dks n LEU 82 CO 0.31 0.12 0.12 0.61 -1.33 0.00 0.00 177.39 177.22 3dks n GLY 83 N 1.46 -0.14 0.57 -0.72 0.00 -0.18 -4.96 105.19 101.22 3dks n GLY 83 Ca 0.07 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.12 3dks n GLY 83 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3dks n VAL 84 N -4.26 2.15 -0.32 1.61 0.24 0.28 -4.74 118.33 113.30 3dks n VAL 84 Ca -0.02 -2.26 0.09 0.00 -2.04 0.00 0.00 64.34 60.11 3dks n VAL 84 Cb 0.56 -0.26 0.26 0.00 -1.47 0.00 0.00 33.84 32.93 3dks n VAL 84 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3dks h GLU 85 N 0.90 0.71 0.00 7.34 3.07 -1.93 -0.78 114.58 123.89 3dks h GLU 85 Ca 0.03 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.82 3dks h GLU 85 Cb 1.26 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 29.00 3dks h GLU 85 CO 0.14 0.47 -0.10 -0.44 -1.40 0.00 0.00 179.01 177.67 3dks h ASP 86 N 0.73 0.00 0.82 1.42 3.32 -1.94 -2.10 116.42 118.67 3dks h ASP 86 Ca 0.50 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 57.32 3dks h ASP 86 Cb 0.70 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.21 3dks h ASP 86 CO -0.35 0.10 -1.27 0.11 -1.72 0.00 0.00 179.24 176.11 3dks h LYS 87 N 0.00 0.00 0.00 3.56 1.57 -1.52 -3.41 116.57 116.77 3dks h LYS 87 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3dks h LYS 87 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 3dks h LYS 87 CO 0.01 0.70 -1.12 1.33 -0.57 0.00 0.00 179.45 179.80 3dks n VAL 88 N -3.18 0.00 0.07 0.50 0.24 -0.97 -4.61 118.33 110.37 3dks n VAL 88 Ca -0.07 -0.25 -0.13 0.00 -2.04 0.00 0.00 64.34 61.85 3dks n VAL 88 Cb 0.96 0.56 -0.07 0.00 -1.47 0.00 0.00 33.84 33.81 3dks n VAL 88 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 3dks h THR 89 N 0.00 0.94 0.36 3.34 2.02 -1.61 -0.74 112.91 117.21 3dks h THR 89 Ca 0.00 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 3dks h THR 89 Cb 0.43 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 3dks h THR 89 CO 0.00 0.00 -0.17 0.58 0.37 0.00 0.00 175.52 176.30 3dks h VAL 90 N -0.10 0.65 -0.03 3.16 2.07 -1.85 -2.02 116.25 118.13 3dks h VAL 90 Ca -0.01 -0.36 0.01 0.00 0.82 0.00 0.00 66.70 67.16 3dks h VAL 90 Cb 0.08 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 3dks h VAL 90 CO 0.02 0.07 0.04 1.55 0.02 0.00 0.00 177.57 179.26 3dks h PRO 91 N -0.69 0.00 -0.02 1.57 0.13 -1.80 -0.88 132.00 130.31 3dks h PRO 91 Ca -0.05 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.99 3dks h PRO 91 Cb 0.48 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.62 3dks h PRO 91 CO 0.08 0.00 -0.35 -0.07 -0.23 0.00 0.00 178.00 177.43 3dks h LEU 92 N 0.00 0.35 -0.43 1.56 3.38 -0.98 -0.63 115.31 118.56 3dks h LEU 92 Ca 0.01 -0.73 0.04 0.00 0.09 0.00 0.00 57.88 57.29 3dks h LEU 92 Cb 0.09 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3dks h LEU 92 CO -0.00 1.03 0.21 -0.26 0.09 0.00 0.00 178.44 179.51 3dks h PHE 93 N -0.29 0.38 -0.31 1.13 0.04 -1.03 -0.88 116.94 115.99 3dks h PHE 93 Ca -0.04 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.73 3dks h PHE 93 Cb 1.06 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 39.09 3dks h PHE 93 CO 0.15 0.19 0.11 0.93 -0.60 0.00 0.00 178.31 179.09 3dks h GLU 94 N 0.42 0.48 -0.89 1.51 4.39 -1.23 -1.41 114.58 117.85 3dks h GLU 94 Ca 0.19 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 3dks h GLU 94 Cb 0.10 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.63 3dks h GLU 94 CO -0.14 0.51 0.53 0.78 -1.16 0.00 0.00 179.01 179.54 3dks h GLY 95 N 0.35 1.30 0.41 -3.84 0.00 -0.93 0.70 103.07 101.06 3dks h GLY 95 Ca 0.10 -0.55 -0.05 0.00 0.00 0.00 0.00 47.33 46.83 3dks h GLY 95 CO -0.00 0.53 -0.21 -2.08 0.00 0.00 0.00 176.54 174.78 3dks h VAL 96 N 1.23 1.56 0.00 4.60 2.07 -1.09 0.32 116.25 124.95 3dks h VAL 96 Ca 0.32 -1.94 -0.22 0.00 0.82 0.00 0.00 66.70 65.67 3dks h VAL 96 Cb -0.04 2.80 -0.04 0.00 -1.52 0.00 0.00 31.29 32.49 3dks h VAL 96 CO -0.06 0.53 -2.03 0.00 0.02 0.00 0.00 177.57 176.03 3dks n GLN 97 N -4.54 1.17 -0.02 1.57 6.02 -0.54 -4.29 117.38 116.75 3dks n GLN 97 Ca -0.10 -0.04 -0.02 0.00 -0.01 0.00 0.00 57.00 56.83 3dks n GLN 97 Cb 0.49 -1.41 -0.01 0.00 1.02 0.00 0.00 30.24 30.33 3dks n GLN 97 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3dks n LYS 98 N -2.48 0.14 0.23 -1.09 4.76 0.04 -4.63 118.16 115.13 3dks n LYS 98 Ca -0.21 0.06 0.13 0.00 -2.87 0.00 0.00 58.31 55.42 3dks n LYS 98 Cb 0.89 -0.68 0.26 0.00 -1.84 0.00 0.00 35.03 33.66 3dks n LYS 98 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 3dks h THR 99 N -0.27 0.00 -6.21 -0.18 1.35 -1.24 -3.48 112.91 102.89 3dks h THR 99 Ca 0.00 -0.91 -0.45 0.00 -0.55 0.00 0.00 66.41 64.50 3dks h THR 99 Cb 0.27 1.91 0.01 0.00 -1.73 0.00 0.00 68.15 68.60 3dks h THR 99 CO 0.00 0.00 -0.81 0.00 -0.25 0.00 0.00 175.52 174.46 3dks n GLN 100 N -3.08 -5.05 0.00 4.72 6.02 -0.92 -4.88 117.38 114.19 3dks n GLN 100 Ca 0.03 0.59 0.10 0.00 -0.01 0.00 0.00 57.00 57.72 3dks n GLN 100 Cb 0.49 -5.26 -0.06 0.00 1.02 0.00 0.00 30.24 26.43 3dks n GLN 100 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3dks n THR 101 N -4.45 0.00 -3.38 5.09 -2.24 0.04 -4.82 114.28 104.51 3dks n THR 101 Ca -0.16 -0.08 -0.43 0.00 -2.27 0.00 0.00 64.05 61.11 3dks n THR 101 Cb 0.62 1.03 -0.09 0.00 -2.10 0.00 0.00 70.33 69.79 3dks n THR 101 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3dks s ILE 102 N -2.84 5.17 0.00 2.28 1.01 -0.80 -4.85 121.20 121.17 3dks s ILE 102 Ca 0.12 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.13 3dks s ILE 102 Cb 0.17 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.60 3dks s ILE 102 CO 0.77 -0.44 0.06 0.54 0.00 0.00 0.00 174.94 175.87 3dks n ARG 103 N 5.38 5.62 -3.80 2.79 5.12 -1.26 -4.70 116.66 125.81 3dks n ARG 103 Ca -0.10 -0.06 -0.05 0.00 -1.93 0.00 0.00 57.85 55.71 3dks n ARG 103 Cb 0.46 -0.53 -0.01 0.00 -1.16 0.00 0.00 32.46 31.22 3dks n ARG 103 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3dks s SER 104 N -0.82 -0.18 0.35 0.55 1.04 -1.26 -5.05 113.70 108.34 3dks s SER 104 Ca 0.00 -0.55 0.07 0.00 0.48 0.00 0.00 55.95 55.95 3dks s SER 104 Cb 0.00 0.60 0.77 0.00 0.10 0.00 0.00 66.02 67.49 3dks s SER 104 CO 0.00 -1.12 1.90 0.00 0.98 0.00 0.00 173.24 175.00 3dks h ALA 105 N 2.00 1.77 -0.05 5.32 0.00 -1.97 -1.83 119.26 124.50 3dks h ALA 105 Ca -0.23 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 3dks h ALA 105 Cb 1.24 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3dks h ALA 105 CO 0.27 0.04 -0.26 0.66 0.00 0.00 0.00 179.25 179.95 3dks h SER 106 N 0.74 0.08 0.01 0.00 4.64 -1.99 -1.80 113.55 115.23 3dks h SER 106 Ca 0.40 -0.02 -0.15 0.00 -0.47 0.00 0.00 61.79 61.55 3dks h SER 106 Cb 0.54 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 3dks h SER 106 CO -0.17 0.34 -0.51 0.44 -0.87 0.00 0.00 176.83 176.07 3dks h ASP 107 N 0.07 0.61 -0.32 4.97 3.32 -1.69 -2.39 116.42 121.00 3dks h ASP 107 Ca 0.01 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.75 3dks h ASP 107 Cb 0.51 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 3dks h ASP 107 CO 0.04 1.01 0.21 0.40 -1.72 0.00 0.00 179.24 179.18 3dks h ILE 108 N 0.44 1.09 -0.80 0.35 2.04 -1.16 -2.56 117.51 116.90 3dks h ILE 108 Ca 0.02 -0.17 0.08 0.00 1.00 0.00 0.00 64.86 65.79 3dks h ILE 108 Cb 1.04 0.62 -0.07 0.00 -0.74 0.00 0.00 36.82 37.67 3dks h ILE 108 CO 0.10 0.08 0.47 -0.09 0.00 0.00 0.00 178.15 178.71 3dks h ARG 109 N 0.43 0.79 -0.36 2.37 2.43 -1.27 -2.01 114.38 116.76 3dks h ARG 109 Ca 0.12 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 3dks h ARG 109 Cb -0.04 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.31 3dks h ARG 109 CO -0.02 0.52 0.05 0.22 -1.51 0.00 0.00 179.97 179.23 3dks h ASP 110 N 0.81 0.50 -0.44 -3.80 1.82 -1.14 -0.95 116.42 113.22 3dks h ASP 110 Ca 0.37 -0.08 -0.04 0.00 -0.39 0.00 0.00 57.03 56.89 3dks h ASP 110 Cb 0.28 -0.13 -0.02 0.00 0.68 0.00 0.00 39.33 40.14 3dks h ASP 110 CO -0.22 0.53 0.12 0.58 -1.61 0.00 0.00 179.24 178.65 3dks h VAL 111 N 0.53 1.23 -0.67 2.25 2.07 -0.98 -1.18 116.25 119.49 3dks h VAL 111 Ca 0.12 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 3dks h VAL 111 Cb 0.26 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 3dks h VAL 111 CO 0.00 0.28 0.35 -0.26 0.02 0.00 0.00 177.57 177.96 3dks h PHE 112 N 0.58 0.93 -0.64 1.57 -1.00 -1.07 -1.21 116.94 116.09 3dks h PHE 112 Ca 0.14 -0.03 0.02 0.00 2.81 0.00 0.00 57.97 60.91 3dks h PHE 112 Cb 0.29 -0.29 -0.04 0.00 3.61 0.00 0.00 35.95 39.52 3dks h PHE 112 CO 0.02 0.67 0.41 0.82 -1.61 0.00 0.00 178.31 178.62 3dks h ILE 113 N 0.91 1.12 0.00 -0.55 2.04 -1.02 0.36 117.51 120.37 3dks h ILE 113 Ca 0.23 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 3dks h ILE 113 Cb 0.06 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.36 3dks h ILE 113 CO -0.04 0.15 -0.07 0.78 0.00 0.00 0.00 178.15 178.98 3dks h ASN 114 N 0.83 0.00 0.18 1.72 2.35 -1.04 -2.50 115.58 117.11 3dks h ASN 114 Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 3dks h ASN 114 Cb -0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.33 3dks h ASN 114 CO -0.08 0.07 -0.07 0.00 -1.65 0.00 0.00 177.43 175.70 3dks n ALA 115 N -2.13 2.72 0.00 -0.83 0.00 -0.47 -4.92 120.51 114.88 3dks n ALA 115 Ca 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3dks n ALA 115 Cb 0.39 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3dks n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dks n GLY 116 N 1.20 0.87 3.42 0.00 0.00 -0.94 -5.01 105.19 104.73 3dks n GLY 116 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 3dks n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dks s ILE 117 N -2.00 5.11 0.54 -0.61 1.09 0.08 -5.00 121.20 120.41 3dks s ILE 117 Ca 0.00 -0.79 -0.21 0.00 -1.10 0.00 0.00 60.65 58.54 3dks s ILE 117 Cb 0.00 -4.16 -0.06 0.00 -1.06 0.00 0.00 42.46 37.18 3dks s ILE 117 CO 0.00 -0.62 1.21 0.29 -0.10 0.00 0.00 174.94 175.72 3dks n LYS 118 N 5.54 1.45 -0.32 2.79 5.02 -1.26 -2.99 118.16 128.39 3dks n LYS 118 Ca -0.10 0.54 0.13 0.00 -2.02 0.00 0.00 58.31 56.85 3dks n LYS 118 Cb 0.45 -2.39 0.31 0.00 -0.02 0.00 0.00 35.03 33.37 3dks n LYS 118 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3dks h GLY 119 N 1.23 1.62 1.08 0.72 0.00 -1.93 -0.02 103.07 105.78 3dks h GLY 119 Ca -0.49 -0.26 -0.09 0.00 0.00 0.00 0.00 47.33 46.49 3dks h GLY 119 CO 0.56 -0.17 0.06 1.05 0.00 0.00 0.00 176.54 178.03 3dks h GLU 120 N 0.56 1.11 -0.40 4.80 4.11 -1.99 -0.47 114.58 122.29 3dks h GLU 120 Ca 0.56 -0.32 -0.14 0.00 0.07 0.00 0.00 59.36 59.52 3dks h GLU 120 Cb 0.97 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 3dks h GLU 120 CO -0.45 1.04 -0.31 0.93 0.07 0.00 0.00 179.01 180.30 3dks h GLU 121 N 1.02 0.92 -0.19 1.06 5.08 -1.59 -1.88 114.58 119.00 3dks h GLU 121 Ca 0.19 -0.45 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 3dks h GLU 121 Cb 0.51 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3dks h GLU 121 CO 0.02 1.11 0.08 -0.92 -1.00 0.00 0.00 179.01 178.30 3dks h TYR 122 N 0.74 0.28 -0.62 4.33 3.20 -0.90 -1.91 116.97 122.09 3dks h TYR 122 Ca 0.08 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 3dks h TYR 122 Cb 0.89 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 39.05 3dks h TYR 122 CO 0.06 0.32 0.21 -0.44 -1.64 0.00 0.00 178.16 176.67 3dks h ASP 123 N 0.16 0.89 0.15 -2.11 3.32 -1.06 0.19 116.42 117.97 3dks h ASP 123 Ca 0.06 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 56.93 3dks h ASP 123 Cb 0.15 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 3dks h ASP 123 CO -0.01 0.85 -0.22 0.00 -1.72 0.00 0.00 179.24 178.14 3dks h ALA 124 N 1.08 -0.39 -0.19 3.45 0.00 -1.33 -2.10 119.26 119.77 3dks h ALA 124 Ca 0.20 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.11 3dks h ALA 124 Cb 0.26 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 3dks h ALA 124 CO -0.01 -0.76 -0.07 0.00 0.00 0.00 0.00 179.25 178.42 3dks h ALA 125 N 0.33 0.11 -0.94 0.00 0.00 -1.12 -2.00 119.26 115.64 3dks h ALA 125 Ca 0.02 0.08 0.21 0.00 0.00 0.00 0.00 54.91 55.21 3dks h ALA 125 Cb 0.43 0.18 -0.12 0.00 0.00 0.00 0.00 17.79 18.28 3dks h ALA 125 CO -0.09 -0.49 0.50 2.35 0.00 0.00 0.00 179.25 181.51 3dks h TRP 126 N -0.03 0.85 -0.02 0.00 2.91 -0.41 -1.36 115.95 117.89 3dks h TRP 126 Ca 0.10 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.16 3dks h TRP 126 Cb 0.18 -0.23 0.00 0.00 -0.51 0.00 0.00 29.16 28.60 3dks h TRP 126 CO -0.23 0.07 -0.01 0.09 -1.03 0.00 0.00 178.44 177.33 3dks n ASN 127 N -4.92 1.91 -4.79 2.65 3.02 -0.81 -4.79 115.26 107.53 3dks n ASN 127 Ca 0.23 -1.62 -0.34 0.00 -0.03 0.00 0.00 54.58 52.81 3dks n ASN 127 Cb 0.63 0.01 -0.02 0.00 -0.61 0.00 0.00 39.78 39.79 3dks n ASN 127 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3dks s SER 128 N -2.02 6.10 0.28 6.41 1.04 -0.51 -4.95 113.70 120.04 3dks s SER 128 Ca 0.35 2.00 -0.04 0.00 0.48 0.00 0.00 55.95 58.74 3dks s SER 128 Cb 0.21 -2.57 0.36 0.00 0.10 0.00 0.00 66.02 64.12 3dks s SER 128 CO 0.33 -0.95 1.94 -0.26 0.98 0.00 0.00 173.24 175.28 3dks h PHE 129 N 1.36 1.13 -0.78 5.02 -1.00 -1.91 -2.22 116.94 118.54 3dks h PHE 129 Ca -0.49 0.01 0.03 0.00 2.81 0.00 0.00 57.97 60.33 3dks h PHE 129 Cb 1.23 -0.38 -0.05 0.00 3.61 0.00 0.00 35.95 40.37 3dks h PHE 129 CO 0.55 0.73 0.50 0.28 -1.61 0.00 0.00 178.31 178.75 3dks h VAL 130 N 1.20 1.11 -0.51 -0.55 2.07 -1.93 0.10 116.25 117.74 3dks h VAL 130 Ca 0.32 -0.33 -0.09 0.00 0.82 0.00 0.00 66.70 67.42 3dks h VAL 130 Cb -0.10 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.71 3dks h VAL 130 CO -0.07 0.18 -0.05 0.58 0.02 0.00 0.00 177.57 178.23 3dks h VAL 131 N 0.96 1.27 -0.97 2.57 2.07 -1.74 -0.83 116.25 119.58 3dks h VAL 131 Ca 0.32 -1.16 0.02 0.00 0.82 0.00 0.00 66.70 66.69 3dks h VAL 131 Cb 0.03 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 3dks h VAL 131 CO -0.12 0.41 0.64 0.11 0.02 0.00 0.00 177.57 178.63 3dks h LYS 132 N 0.80 1.25 -0.29 1.57 1.57 -0.77 -0.08 116.57 120.61 3dks h LYS 132 Ca 0.14 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3dks h LYS 132 Cb 0.59 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 3dks h LYS 132 CO 0.04 0.83 0.14 1.03 -0.57 0.00 0.00 179.45 180.91 3dks h SER 133 N 1.28 0.39 -0.05 0.86 0.87 -0.64 -2.55 113.55 113.72 3dks h SER 133 Ca 0.36 -0.13 -0.06 0.00 -1.23 0.00 0.00 61.79 60.74 3dks h SER 133 Cb -0.11 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 3dks h SER 133 CO -0.09 0.41 -0.12 -0.07 -0.53 0.00 0.00 176.83 176.43 3dks h LEU 134 N 0.34 0.33 0.05 2.23 3.38 -0.66 0.71 115.31 121.69 3dks h LEU 134 Ca 0.10 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3dks h LEU 134 Cb 0.13 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3dks h LEU 134 CO -0.01 0.49 -0.02 0.58 0.09 0.00 0.00 178.44 179.56 3dks h VAL 135 N 0.33 1.11 -0.83 1.22 2.07 -0.94 -1.65 116.25 117.56 3dks h VAL 135 Ca 0.06 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 3dks h VAL 135 Cb 0.42 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 3dks h VAL 135 CO 0.02 0.12 0.48 0.00 0.02 0.00 0.00 177.57 178.22 3dks h ALA 136 N 0.67 1.29 -0.34 1.67 0.00 -1.19 -1.81 119.26 119.55 3dks h ALA 136 Ca -0.01 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.83 3dks h ALA 136 Cb 0.25 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3dks h ALA 136 CO 0.01 0.60 0.14 0.37 0.00 0.00 0.00 179.25 180.37 3dks h GLN 137 N 1.15 0.29 -0.51 0.00 4.15 -0.78 0.16 115.11 119.56 3dks h GLN 137 Ca 0.30 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.69 3dks h GLN 137 Cb -0.02 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 3dks h GLN 137 CO -0.05 0.19 0.29 1.96 -1.93 0.00 0.00 178.83 179.29 3dks h GLN 138 N 0.30 0.71 -0.20 1.69 4.20 -0.94 -1.86 115.11 119.00 3dks h GLN 138 Ca 0.15 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 3dks h GLN 138 Cb 0.09 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3dks h GLN 138 CO -0.13 0.55 0.06 0.93 -0.67 0.00 0.00 178.83 179.56 3dks h GLU 139 N 0.68 0.32 -0.30 1.46 5.08 -1.08 -2.78 114.58 117.96 3dks h GLU 139 Ca 0.18 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.50 3dks h GLU 139 Cb 0.04 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 3dks h GLU 139 CO -0.03 0.43 0.13 -0.22 -1.00 0.00 0.00 179.01 178.31 3dks h LYS 140 N 0.15 0.27 -0.74 2.33 3.64 -0.61 -1.98 116.57 119.63 3dks h LYS 140 Ca 0.06 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.49 3dks h LYS 140 Cb 0.25 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 31.95 3dks h LYS 140 CO -0.00 0.18 0.43 0.00 -2.27 0.00 0.00 179.45 177.78 3dks h ALA 141 N 1.17 1.01 -0.40 5.00 0.00 -1.30 0.39 119.26 125.12 3dks h ALA 141 Ca 0.13 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3dks h ALA 141 Cb 0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3dks h ALA 141 CO -0.11 0.12 0.02 0.00 0.00 0.00 0.00 179.25 179.28 3dks h ALA 142 N 1.38 0.54 -0.62 0.00 0.00 -1.35 -2.89 119.26 116.32 3dks h ALA 142 Ca 0.33 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3dks h ALA 142 Cb 0.20 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3dks h ALA 142 CO -0.19 0.30 0.15 0.00 0.00 0.00 0.00 179.25 179.51 3dks h ALA 143 N 0.90 1.10 0.00 0.00 0.00 -0.97 -1.17 119.26 119.12 3dks h ALA 143 Ca 0.12 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3dks h ALA 143 Cb 0.44 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3dks h ALA 143 CO 0.02 0.60 -0.16 -0.44 0.00 0.00 0.00 179.25 179.27 3dks h ASP 144 N 0.92 0.00 -0.54 0.00 3.32 -0.79 -1.84 116.42 117.49 3dks h ASP 144 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3dks h ASP 144 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 3dks h ASP 144 CO -0.00 0.16 0.00 1.33 -1.72 0.00 0.00 179.24 179.01 3dks n VAL 145 N -4.23 1.57 -3.87 -1.35 0.24 -1.10 -4.88 118.33 104.71 3dks n VAL 145 Ca -0.02 -1.21 -0.24 0.00 -2.04 0.00 0.00 64.34 60.82 3dks n VAL 145 Cb 0.23 0.23 0.00 0.00 -1.47 0.00 0.00 33.84 32.83 3dks n VAL 145 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dks n GLN 146 N 0.86 -3.97 -2.45 7.34 6.02 -0.69 -4.88 117.38 119.62 3dks n GLN 146 Ca 0.22 0.49 -0.42 0.00 -0.01 0.00 0.00 57.00 57.28 3dks n GLN 146 Cb 0.74 -4.82 -0.03 0.00 1.02 0.00 0.00 30.24 27.15 3dks n GLN 146 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3dks s LEU 147 N -6.88 4.36 0.00 1.08 2.96 -0.48 -4.91 118.68 114.82 3dks s LEU 147 Ca 0.05 1.97 0.00 0.00 -0.22 0.00 0.00 54.13 55.93 3dks s LEU 147 Cb -0.02 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.09 3dks s LEU 147 CO 0.86 -0.46 0.00 0.54 -1.32 0.00 0.00 176.35 175.97 3dks n ARG 148 N 4.01 6.18 -3.69 1.98 1.74 -1.26 -4.93 116.66 120.70 3dks n ARG 148 Ca 0.09 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.07 3dks n ARG 148 Cb 0.47 -0.50 -0.03 0.00 -1.02 0.00 0.00 32.46 31.38 3dks n ARG 148 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3dks s GLY 149 N -1.00 -0.23 0.16 -0.13 0.00 -1.26 -5.13 107.32 99.74 3dks s GLY 149 Ca 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 44.72 44.67 3dks s GLY 149 CO 0.00 -0.11 0.01 -1.34 0.00 0.00 0.00 173.10 171.66 3dks s VAL 150 N -3.85 0.55 0.76 1.40 -7.23 -1.26 -4.58 120.40 106.19 3dks s VAL 150 Ca 0.08 -1.96 -0.11 0.00 -1.81 0.00 0.00 61.98 58.17 3dks s VAL 150 Cb -0.02 -2.08 0.05 0.00 0.56 0.00 0.00 36.38 34.89 3dks s VAL 150 CO -0.03 -0.50 1.09 -2.16 -0.31 0.00 0.00 175.10 173.20 3dks s PRO 151 N -3.94 2.35 0.02 4.82 0.04 -1.26 -4.83 135.00 132.19 3dks s PRO 151 Ca 0.23 1.19 -0.18 0.00 0.04 0.00 0.00 61.00 62.28 3dks s PRO 151 Cb 0.06 -1.91 0.03 0.00 0.04 0.00 0.00 34.50 32.73 3dks s PRO 151 CO 0.03 -1.58 0.40 0.00 0.04 0.00 0.00 177.00 175.89 3dks s ALA 152 N -2.84 -0.98 -0.05 8.56 0.00 -1.09 -5.00 121.76 120.36 3dks s ALA 152 Ca 0.62 0.37 -0.03 0.00 0.00 0.00 0.00 51.96 52.92 3dks s ALA 152 Cb -0.17 0.24 0.02 0.00 0.00 0.00 0.00 23.12 23.20 3dks s ALA 152 CO 0.54 -0.39 0.12 1.41 0.00 0.00 0.00 175.76 177.44 3dks s MET 153 N -2.05 0.11 -0.02 0.00 1.75 -1.26 -0.64 119.30 117.20 3dks s MET 153 Ca -0.08 0.22 0.04 0.00 -1.25 0.00 0.00 55.69 54.62 3dks s MET 153 Cb -0.02 -0.02 -0.01 0.00 2.84 0.00 0.00 34.83 37.62 3dks s MET 153 CO 0.01 -0.07 -0.14 -0.06 -0.65 0.00 0.00 175.02 174.11 3dks s PHE 154 N 0.43 1.26 -0.18 4.11 0.40 0.29 -1.22 117.98 123.08 3dks s PHE 154 Ca -0.03 -0.26 -0.02 0.00 -0.60 0.00 0.00 56.93 56.02 3dks s PHE 154 Cb -0.04 -0.83 -0.01 0.00 0.51 0.00 0.00 43.02 42.65 3dks s PHE 154 CO -0.02 -0.04 -0.09 0.08 0.70 0.00 0.00 175.22 175.85 3dks s VAL 155 N -0.24 3.19 -1.15 -0.44 1.01 0.86 -0.51 120.40 123.11 3dks s VAL 155 Ca 0.04 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.44 3dks s VAL 155 Cb -0.06 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 33.92 3dks s VAL 155 CO -0.00 0.48 0.00 0.59 0.00 0.00 0.00 175.10 176.16 3dks n ASN 156 N 4.22 -4.12 -0.87 3.32 3.02 0.54 -1.91 115.26 119.45 3dks n ASN 156 Ca -0.18 0.18 -0.11 0.00 -0.03 0.00 0.00 54.58 54.43 3dks n ASN 156 Cb 0.52 -3.50 -0.05 0.00 -0.61 0.00 0.00 39.78 36.14 3dks n ASN 156 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dks n GLY 157 N -0.80 1.19 0.00 7.41 0.00 -1.26 -4.77 105.19 106.96 3dks n GLY 157 Ca -0.16 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.65 3dks n GLY 157 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3dks n LYS 158 N -1.88 5.33 -4.95 1.61 2.85 -0.80 0.35 118.16 120.67 3dks n LYS 158 Ca -0.11 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.86 3dks n LYS 158 Cb 0.47 -0.44 -0.17 0.00 -0.65 0.00 0.00 35.03 34.24 3dks n LYS 158 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3dks s TYR 159 N 0.00 2.06 -0.18 5.58 2.02 -0.92 -0.89 117.35 125.01 3dks s TYR 159 Ca 0.00 -0.78 -0.05 0.00 -0.37 0.00 0.00 57.07 55.87 3dks s TYR 159 Cb 0.00 -1.41 -0.03 0.00 -0.40 0.00 0.00 41.96 40.12 3dks s TYR 159 CO 0.00 -0.32 0.00 -1.14 -1.57 0.00 0.00 175.55 172.52 3dks s GLN 160 N 0.38 3.71 0.36 -0.62 0.74 0.35 -0.10 119.66 124.49 3dks s GLN 160 Ca -0.15 -0.48 -0.27 0.00 0.05 0.00 0.00 55.36 54.51 3dks s GLN 160 Cb -0.16 -3.05 -0.12 0.00 1.10 0.00 0.00 33.01 30.78 3dks s GLN 160 CO 0.06 0.14 1.32 1.28 -0.55 0.00 0.00 175.29 177.54 3dks n LEU 161 N 3.86 3.85 -3.55 3.68 7.99 -0.35 -0.46 117.00 132.02 3dks n LEU 161 Ca -0.17 1.19 -0.27 0.00 -0.01 0.00 0.00 56.01 56.75 3dks n LEU 161 Cb 0.52 -1.51 -0.10 0.00 -0.11 0.00 0.00 43.42 42.23 3dks n LEU 161 CO 0.33 -0.42 -0.09 -3.20 -1.51 0.00 0.00 177.39 172.49 3dks n ASN 162 N 0.59 2.14 0.26 -1.43 5.15 -0.22 -4.77 115.26 116.99 3dks n ASN 162 Ca 0.05 -3.04 0.17 0.00 -0.60 0.00 0.00 54.58 51.15 3dks n ASN 162 Cb 0.37 -0.68 0.92 0.00 -0.53 0.00 0.00 39.78 39.87 3dks n ASN 162 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3dks h PRO 163 N 4.85 0.00 -0.01 1.20 0.13 -1.87 -0.67 132.00 135.64 3dks h PRO 163 Ca 0.18 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.22 3dks h PRO 163 Cb 0.77 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 3dks h PRO 163 CO 0.65 0.00 -0.42 1.96 -0.23 0.00 0.00 178.00 179.96 3dks h GLN 164 N 0.00 0.01 -0.77 0.86 7.50 -1.93 -2.84 115.11 117.95 3dks h GLN 164 Ca 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.14 3dks h GLN 164 Cb 0.05 -0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.58 3dks h GLN 164 CO 0.00 0.43 0.00 0.41 -1.50 0.00 0.00 178.83 178.17 3dks n GLY 165 N -0.32 2.14 3.65 3.46 0.00 -0.26 -4.90 105.19 108.97 3dks n GLY 165 Ca -0.02 -0.45 -0.25 0.00 0.00 0.00 0.00 46.02 45.30 3dks n GLY 165 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3dks s MET 166 N -1.85 2.08 -0.43 1.61 -1.94 -1.07 -4.23 119.30 113.46 3dks s MET 166 Ca 0.27 -1.87 -0.29 0.00 -1.71 0.00 0.00 55.69 52.09 3dks s MET 166 Cb 0.20 -1.87 0.03 0.00 2.01 0.00 0.00 34.83 35.20 3dks s MET 166 CO 0.08 0.02 1.11 -0.51 -0.01 0.00 0.00 175.02 175.71 3dks s ASP 167 N -3.76 6.72 0.00 3.03 1.01 -1.26 -4.89 116.67 117.51 3dks s ASP 167 Ca 0.37 0.63 0.08 0.00 0.71 0.00 0.00 52.55 54.33 3dks s ASP 167 Cb 0.04 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.39 3dks s ASP 167 CO 0.20 -1.13 0.44 0.35 0.21 0.00 0.00 175.17 175.24 3dks n THR 168 N 6.53 0.00 -0.12 -1.27 -2.24 -1.26 -3.29 114.28 112.64 3dks n THR 168 Ca 0.12 -0.38 -0.10 0.00 -2.27 0.00 0.00 64.05 61.42 3dks n THR 168 Cb 0.48 1.05 -0.02 0.00 -2.10 0.00 0.00 70.33 69.75 3dks n THR 168 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3dks h SER 169 N 0.48 0.50 -3.30 3.42 4.64 -2.01 -3.40 113.55 113.88 3dks h SER 169 Ca 0.00 -0.19 -0.60 0.00 -0.47 0.00 0.00 61.79 60.53 3dks h SER 169 Cb 0.22 -0.13 -0.12 0.00 -0.31 0.00 0.00 62.40 62.06 3dks h SER 169 CO 0.00 0.55 -0.48 0.21 -0.87 0.00 0.00 176.83 176.24 3dks s ASN 170 N -5.84 6.22 0.19 4.97 3.84 -1.26 -5.01 114.94 118.04 3dks s ASN 170 Ca -0.13 0.24 0.07 0.00 0.21 0.00 0.00 52.86 53.25 3dks s ASN 170 Cb 0.09 -2.10 0.04 0.00 -0.55 0.00 0.00 41.25 38.74 3dks s ASN 170 CO 0.75 0.16 1.42 0.24 -2.79 0.00 0.00 177.10 176.88 3dks h MET 171 N 6.75 0.04 -0.40 0.43 2.86 -1.91 -1.98 114.93 120.72 3dks h MET 171 Ca -0.41 -0.04 -0.11 0.00 -2.06 0.00 0.00 59.70 57.08 3dks h MET 171 Cb 1.15 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.81 3dks h MET 171 CO 0.75 0.85 -0.19 -0.44 1.06 0.00 0.00 176.91 178.94 3dks h ASP 172 N 0.02 0.77 -0.25 1.22 3.45 -1.96 -1.36 116.42 118.30 3dks h ASP 172 Ca -0.02 -0.26 -0.18 0.00 0.43 0.00 0.00 57.03 57.01 3dks h ASP 172 Cb 1.47 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 40.03 3dks h ASP 172 CO 0.11 0.95 -0.53 0.58 -1.57 0.00 0.00 179.24 178.78 3dks h VAL 173 N 0.67 1.29 0.26 -1.35 2.07 -1.88 -2.28 116.25 115.03 3dks h VAL 173 Ca 0.10 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 65.89 3dks h VAL 173 Cb 0.68 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 3dks h VAL 173 CO 0.05 0.56 -0.26 0.15 0.02 0.00 0.00 177.57 178.09 3dks h PHE 174 N 0.57 -0.70 -0.66 1.57 3.57 -1.26 -0.60 116.94 119.42 3dks h PHE 174 Ca 0.01 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.58 3dks h PHE 174 Cb 1.15 0.27 -0.06 0.00 2.79 0.00 0.00 35.95 40.10 3dks h PHE 174 CO 0.08 -0.38 0.35 0.28 -2.23 0.00 0.00 178.31 176.41 3dks h VAL 175 N -0.56 0.93 -0.37 1.41 2.07 -1.26 0.62 116.25 119.08 3dks h VAL 175 Ca -0.01 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 3dks h VAL 175 Cb 0.51 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3dks h VAL 175 CO -0.06 0.12 0.21 -0.61 0.02 0.00 0.00 177.57 177.25 3dks h GLN 176 N 0.63 0.52 -0.46 1.57 -0.00 -1.31 -1.92 115.11 114.14 3dks h GLN 176 Ca 0.30 -0.06 -0.08 0.00 -0.00 0.00 0.00 58.65 58.82 3dks h GLN 176 Cb 0.24 -0.10 -0.02 0.00 0.00 0.00 0.00 27.48 27.59 3dks h GLN 176 CO -0.21 0.41 -0.03 1.96 0.00 0.00 0.00 178.83 180.97 3dks h GLN 177 N 0.48 0.78 0.29 1.69 4.20 -0.44 -1.77 115.11 120.34 3dks h GLN 177 Ca 0.13 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 3dks h GLN 177 Cb 0.04 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.74 3dks h GLN 177 CO -0.02 0.80 -0.14 -0.92 -0.67 0.00 0.00 178.83 177.88 3dks h TYR 178 N 0.72 -0.36 -0.99 2.96 5.03 -0.78 -1.80 116.97 121.75 3dks h TYR 178 Ca 0.14 -0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.44 3dks h TYR 178 Cb 0.48 0.12 -0.05 0.00 1.55 0.00 0.00 36.73 38.83 3dks h TYR 178 CO 0.02 -0.20 0.64 0.00 -1.32 0.00 0.00 178.16 177.30 3dks h ALA 179 N 0.29 1.26 -0.14 1.82 0.00 -1.25 -2.40 119.26 118.85 3dks h ALA 179 Ca -0.04 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 3dks h ALA 179 Cb 0.32 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3dks h ALA 179 CO 0.07 0.67 -0.46 -0.44 0.00 0.00 0.00 179.25 179.08 3dks h ASP 180 N 1.35 0.37 -0.34 0.00 3.32 -1.26 -1.53 116.42 118.34 3dks h ASP 180 Ca 0.36 -0.17 -0.13 0.00 0.02 0.00 0.00 57.03 57.11 3dks h ASP 180 Cb -0.13 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 3dks h ASP 180 CO -0.08 0.78 -0.27 0.74 -1.72 0.00 0.00 179.24 178.70 3dks h THR 181 N 0.28 1.27 -0.21 0.35 2.02 -1.04 -0.61 112.91 114.98 3dks h THR 181 Ca 0.02 -1.42 -0.02 0.00 0.77 0.00 0.00 66.41 65.76 3dks h THR 181 Cb 0.92 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 3dks h THR 181 CO 0.08 0.48 0.04 0.58 0.37 0.00 0.00 175.52 177.07 3dks h VAL 182 N 0.73 1.22 -0.54 3.16 2.07 -1.24 -1.51 116.25 120.13 3dks h VAL 182 Ca 0.09 -0.70 0.08 0.00 0.82 0.00 0.00 66.70 66.98 3dks h VAL 182 Cb 0.82 1.28 -0.06 0.00 -1.52 0.00 0.00 31.29 31.81 3dks h VAL 182 CO 0.07 0.22 0.19 0.50 0.02 0.00 0.00 177.57 178.57 3dks h LYS 183 N 0.15 0.36 -0.13 1.57 3.64 -1.20 -0.61 116.57 120.34 3dks h LYS 183 Ca 0.06 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3dks h LYS 183 Cb 0.29 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 3dks h LYS 183 CO 0.00 0.24 0.07 -0.92 -2.27 0.00 0.00 179.45 176.57 3dks h TYR 184 N 0.37 0.18 -0.05 1.91 3.20 -0.94 -1.69 116.97 119.94 3dks h TYR 184 Ca 0.26 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.06 3dks h TYR 184 Cb 0.30 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 3dks h TYR 184 CO -0.17 0.21 -0.28 -0.07 -1.64 0.00 0.00 178.16 176.21 3dks h LEU 185 N 0.10 0.09 -0.34 2.82 3.38 -1.09 -2.97 115.31 117.30 3dks h LEU 185 Ca 0.04 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 3dks h LEU 185 Cb 0.09 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3dks h LEU 185 CO -0.01 0.37 -0.12 0.28 0.09 0.00 0.00 178.44 179.05 3dks h SER 186 N 0.08 0.69 0.00 -0.43 0.02 -0.80 -3.48 113.55 109.64 3dks h SER 186 Ca 0.01 -0.39 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 3dks h SER 186 Cb 0.55 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.89 3dks h SER 186 CO 0.04 0.92 0.00 -0.62 -1.14 0.00 0.00 176.83 176.03