#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dks n GLN 2 N 0.00 1.26 -2.13 0.00 0.00 -1.26 -4.90 117.38 110.34 3dks n GLN 2 Ca 0.00 0.47 -0.43 0.00 0.00 0.00 0.00 57.00 57.05 3dks n GLN 2 Cb 0.00 -2.33 -0.03 0.00 0.00 0.00 0.00 30.24 27.89 3dks n GLN 2 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 3dks s TYR 3 N -1.39 2.22 -0.02 2.61 2.02 -1.26 -4.92 117.35 116.61 3dks s TYR 3 Ca 0.73 0.47 -0.01 0.00 -0.37 0.00 0.00 57.07 57.90 3dks s TYR 3 Cb -0.43 -3.83 0.02 0.00 -0.40 0.00 0.00 41.96 37.32 3dks s TYR 3 CO 0.48 -3.11 0.05 -1.21 -1.57 0.00 0.00 175.55 170.19 3dks s GLU 4 N 4.05 0.01 -0.04 -0.62 8.01 -1.26 -5.07 118.70 123.77 3dks s GLU 4 Ca 0.68 0.16 -0.34 0.00 0.01 0.00 0.00 54.97 55.48 3dks s GLU 4 Cb -0.28 -0.14 -0.12 0.00 -4.31 0.00 0.00 34.13 29.27 3dks s GLU 4 CO 0.26 -0.11 1.81 -3.47 0.01 0.00 0.00 175.26 173.76 3dks n ASP 5 N 3.79 3.34 0.00 -0.19 2.03 -1.26 -0.52 116.55 123.74 3dks n ASP 5 Ca -0.22 1.00 0.00 0.00 0.52 0.00 0.00 54.79 56.09 3dks n ASP 5 Cb 0.54 -1.38 0.00 0.00 -0.72 0.00 0.00 41.12 39.56 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 4.18 2.30 0.00 0.27 0.00 0.13 -4.97 105.19 107.10 3dks n GLY 6 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.77 0.00 0.00 1.61 -0.00 0.33 -4.76 118.16 113.56 3dks n LYS 7 Ca 0.00 0.04 0.12 0.00 -0.00 0.00 0.00 58.31 58.47 3dks n LYS 7 Cb 0.00 -0.27 0.23 0.00 -0.00 0.00 0.00 35.03 34.99 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 -1.62 0.04 -3.54 -1.58 3.00 -1.23 -3.77 117.38 108.68 3dks n GLN 8 Ca 0.00 -0.02 -0.11 0.00 -0.01 0.00 0.00 57.00 56.86 3dks n GLN 8 Cb 0.00 -1.50 -0.02 0.00 0.00 0.00 0.00 30.24 28.72 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 -2.98 -0.44 0.24 1.08 1.13 -1.26 -1.14 117.35 113.98 3dks s TYR 9 Ca 0.11 0.17 0.10 0.00 -1.41 0.00 0.00 57.07 56.04 3dks s TYR 9 Cb 0.17 0.60 -0.05 0.00 -1.10 0.00 0.00 41.96 41.58 3dks s TYR 9 CO 0.70 -0.94 -0.17 0.95 -2.51 0.00 0.00 175.55 173.58 3dks s THR 10 N -3.77 2.09 -0.18 -3.49 -4.23 0.57 0.20 115.64 106.83 3dks s THR 10 Ca 0.04 -2.30 -0.06 0.00 -1.18 0.00 0.00 61.69 58.18 3dks s THR 10 Cb -0.02 -2.16 -0.04 0.00 1.34 0.00 0.00 72.50 71.62 3dks s THR 10 CO -0.08 -0.50 0.03 -0.89 -0.54 0.00 0.00 174.62 172.64 3dks s THR 11 N -2.75 4.47 0.11 3.99 2.01 -1.26 -0.94 115.64 121.28 3dks s THR 11 Ca 0.26 -0.15 -0.31 0.00 0.31 0.00 0.00 61.69 61.80 3dks s THR 11 Cb -0.03 -3.01 -0.08 0.00 0.01 0.00 0.00 72.50 69.40 3dks s THR 11 CO 0.11 0.46 1.40 -0.76 -0.69 0.00 0.00 174.62 175.13 3dks s LEU 12 N 0.49 4.37 0.24 4.42 1.43 -0.07 -4.92 118.68 124.64 3dks s LEU 12 Ca 0.01 2.33 -0.07 0.00 -1.03 0.00 0.00 54.13 55.38 3dks s LEU 12 Cb -0.13 -3.59 0.22 0.00 0.03 0.00 0.00 46.19 42.72 3dks s LEU 12 CO 0.01 -0.66 1.87 -0.33 0.23 0.00 0.00 176.35 177.48 3dks h GLU 13 N 6.82 1.28 -3.66 1.70 5.08 -1.98 -3.32 114.58 120.51 3dks h GLU 13 Ca -0.42 -0.13 -0.70 0.00 -1.00 0.00 0.00 59.36 57.10 3dks h GLU 13 Cb 1.21 -0.26 -0.34 0.00 0.50 0.00 0.00 28.75 29.86 3dks h GLU 13 CO 0.87 0.91 -0.34 0.15 -1.00 0.00 0.00 179.01 179.61 3dks s LYS 14 N -5.90 2.63 0.70 2.33 1.02 -1.26 -5.09 119.74 114.16 3dks s LYS 14 Ca -0.13 -2.49 -0.16 0.00 0.02 0.00 0.00 55.97 53.22 3dks s LYS 14 Cb 0.17 -3.78 0.02 0.00 -0.52 0.00 0.00 37.83 33.72 3dks s LYS 14 CO 0.83 -1.18 1.20 -1.25 -0.92 0.00 0.00 175.35 174.03 3dks s PRO 15 N 0.02 2.33 -0.24 -1.68 0.04 -1.25 -4.94 135.00 129.28 3dks s PRO 15 Ca 0.16 1.76 -0.04 0.00 0.04 0.00 0.00 61.00 62.92 3dks s PRO 15 Cb -0.20 -1.86 -0.00 0.00 0.04 0.00 0.00 34.50 32.48 3dks s PRO 15 CO -0.04 -1.69 -0.01 0.08 0.04 0.00 0.00 177.00 175.38 3dks s VAL 16 N -1.92 3.51 0.21 -0.36 1.01 0.29 -5.03 120.40 118.11 3dks s VAL 16 Ca 0.75 -0.56 -0.29 0.00 0.00 0.00 0.00 61.98 61.87 3dks s VAL 16 Cb -0.29 -2.67 -0.08 0.00 0.00 0.00 0.00 36.38 33.34 3dks s VAL 16 CO 0.43 0.32 0.92 0.00 0.00 0.00 0.00 175.10 176.78 3dks s ALA 17 N 1.48 3.33 -0.43 5.51 0.00 -1.26 -3.80 121.76 126.59 3dks s ALA 17 Ca 0.05 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.59 3dks s ALA 17 Cb -0.15 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.77 3dks s ALA 17 CO -0.02 0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.33 3dks n GLY 18 N 1.65 0.66 3.77 0.00 0.00 -1.26 -5.02 105.19 105.00 3dks n GLY 18 Ca -0.02 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.97 2.52 0.59 4.61 0.00 -1.25 -5.00 121.76 121.26 3dks s ALA 19 Ca 0.00 0.57 -0.19 0.00 0.00 0.00 0.00 51.96 52.33 3dks s ALA 19 Cb 0.00 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.76 3dks s ALA 19 CO 0.00 -1.18 1.08 -2.30 0.00 0.00 0.00 175.76 173.36 3dks n PRO 20 N -2.26 1.09 -0.03 0.00 -0.02 -1.26 -4.75 135.00 127.77 3dks n PRO 20 Ca 0.10 0.42 -0.10 0.00 -2.02 0.00 0.00 63.50 61.90 3dks n PRO 20 Cb 0.52 -2.28 -0.04 0.00 -0.02 0.00 0.00 33.50 31.68 3dks n PRO 20 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3dks h GLN 21 N 0.73 0.17 -4.08 -0.52 4.20 -1.91 -3.34 115.11 110.36 3dks h GLN 21 Ca -0.49 -0.01 -0.57 0.00 0.06 0.00 0.00 58.65 57.64 3dks h GLN 21 Cb 1.35 -0.04 -0.39 0.00 0.30 0.00 0.00 27.48 28.70 3dks h GLN 21 CO 0.53 0.12 -0.78 0.08 -0.67 0.00 0.00 178.83 178.10 3dks s VAL 22 N -6.18 1.15 -0.19 -0.54 1.01 -1.23 0.36 120.40 114.78 3dks s VAL 22 Ca -0.13 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 60.96 3dks s VAL 22 Cb 0.08 -1.46 0.02 0.00 0.00 0.00 0.00 36.38 35.02 3dks s VAL 22 CO 0.68 -0.07 -0.17 -0.22 0.00 0.00 0.00 175.10 175.32 3dks s LEU 23 N 1.58 2.37 -0.11 3.92 0.20 0.31 -0.37 118.68 126.57 3dks s LEU 23 Ca -0.03 -0.68 -0.02 0.00 0.69 0.00 0.00 54.13 54.10 3dks s LEU 23 Cb -0.17 -1.53 -0.03 0.00 -0.43 0.00 0.00 46.19 44.03 3dks s LEU 23 CO -0.07 -0.02 -0.05 -0.70 -0.29 0.00 0.00 176.35 175.22 3dks s GLU 24 N 1.30 3.22 -0.03 1.98 2.12 0.38 -0.25 118.70 127.43 3dks s GLU 24 Ca 0.04 -0.52 0.02 0.00 0.36 0.00 0.00 54.97 54.87 3dks s GLU 24 Cb -0.14 -2.76 -0.03 0.00 0.26 0.00 0.00 34.13 31.46 3dks s GLU 24 CO -0.11 0.46 -0.08 -0.06 -0.54 0.00 0.00 175.26 174.93 3dks s PHE 25 N -0.24 2.87 0.24 5.30 0.08 0.05 -0.77 117.98 125.52 3dks s PHE 25 Ca 0.04 -0.03 -0.10 0.00 0.12 0.00 0.00 56.93 56.95 3dks s PHE 25 Cb -0.13 -1.65 -0.01 0.00 -0.57 0.00 0.00 43.02 40.66 3dks s PHE 25 CO 0.02 0.33 0.41 -0.59 -0.10 0.00 0.00 175.22 175.29 3dks s PHE 26 N -0.88 0.54 -0.02 0.36 -0.71 -0.61 -2.61 117.98 114.07 3dks s PHE 26 Ca 0.14 -0.88 0.01 0.00 -1.04 0.00 0.00 56.93 55.16 3dks s PHE 26 Cb -0.11 0.03 0.01 0.00 -1.21 0.00 0.00 43.02 41.75 3dks s PHE 26 CO 0.04 -0.93 -0.02 0.45 -1.34 0.00 0.00 175.22 173.42 3dks s SER 27 N -3.05 0.42 0.64 1.98 0.15 -1.26 -0.61 113.70 111.97 3dks s SER 27 Ca 0.26 -0.05 0.42 0.00 0.70 0.00 0.00 55.95 57.28 3dks s SER 27 Cb 0.01 -0.15 2.20 0.00 -1.71 0.00 0.00 66.02 66.37 3dks s SER 27 CO 0.10 -0.03 2.28 -0.26 1.20 0.00 0.00 173.24 176.53 3dks h PHE 28 N 6.67 0.00 0.00 3.44 0.04 -1.96 -2.63 116.94 122.49 3dks h PHE 28 Ca -0.35 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.42 3dks h PHE 28 Cb 1.17 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.32 3dks h PHE 28 CO 0.46 0.00 -0.34 0.34 -0.60 0.00 0.00 178.31 178.17 3dks n PHE 29 N -3.06 0.52 -3.34 -0.55 7.35 -1.26 -4.66 117.46 112.46 3dks n PHE 29 Ca -0.02 0.15 -0.40 0.00 -0.76 0.00 0.00 57.45 56.42 3dks n PHE 29 Cb 0.12 -0.67 -0.09 0.00 0.35 0.00 0.00 39.48 39.19 3dks n PHE 29 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3dks h PRO 31 N 8.29 0.51 -0.43 0.00 0.11 -1.90 -1.40 132.00 137.19 3dks h PRO 31 Ca -0.30 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.72 3dks h PRO 31 Cb 1.15 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 3dks h PRO 31 CO 0.69 0.38 0.07 1.25 -0.21 0.00 0.00 178.00 180.18 3dks h HIS 32 N 0.52 0.68 -0.08 0.65 2.76 -1.93 -1.36 115.15 116.39 3dks h HIS 32 Ca 0.14 -0.06 -0.16 0.00 -2.20 0.00 0.00 60.37 58.08 3dks h HIS 32 Cb 0.02 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 28.77 3dks h HIS 32 CO 0.00 0.61 -0.66 0.00 -1.30 0.00 0.00 177.93 176.58 3dks h TYR 34 N 0.23 0.41 -0.20 0.00 5.03 -1.02 0.29 116.97 121.71 3dks h TYR 34 Ca -0.02 0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.35 3dks h TYR 34 Cb 1.20 -0.13 -0.05 0.00 1.55 0.00 0.00 36.73 39.30 3dks h TYR 34 CO 0.03 0.25 -0.10 0.37 -1.32 0.00 0.00 178.16 177.39 3dks h GLN 35 N 0.45 -0.07 -0.63 1.82 5.75 -1.14 0.28 115.11 121.57 3dks h GLN 35 Ca 0.14 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.64 3dks h GLN 35 Cb -0.01 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.52 3dks h GLN 35 CO -0.05 -0.05 0.39 0.74 -2.65 0.00 0.00 178.83 177.21 3dks h PHE 36 N -0.07 0.81 0.00 3.99 -1.00 -0.99 0.13 116.94 119.81 3dks h PHE 36 Ca 0.11 0.01 -0.19 0.00 2.81 0.00 0.00 57.97 60.71 3dks h PHE 36 Cb 0.24 -0.27 -0.03 0.00 3.61 0.00 0.00 35.95 39.50 3dks h PHE 36 CO -0.26 0.53 -1.02 1.49 -1.61 0.00 0.00 178.31 177.44 3dks h GLU 37 N 0.85 0.01 0.00 1.51 4.57 -0.79 0.23 114.58 120.96 3dks h GLU 37 Ca 0.23 -0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.27 3dks h GLU 37 Cb -0.06 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 3dks h GLU 37 CO -0.05 1.00 -1.30 0.93 -1.18 0.00 0.00 179.01 178.42 3dks h GLU 38 N -0.98 0.00 0.00 1.92 4.39 -0.57 -3.06 114.58 116.28 3dks h GLU 38 Ca -0.28 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.13 3dks h GLU 38 Cb 1.26 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.87 3dks h GLU 38 CO -0.16 0.23 -1.91 0.28 -1.16 0.00 0.00 179.01 176.29 3dks n VAL 39 N -2.85 1.19 0.08 3.13 0.31 -1.00 -4.72 118.33 114.47 3dks n VAL 39 Ca -0.07 -0.20 0.02 0.00 -0.01 0.00 0.00 64.34 64.07 3dks n VAL 39 Cb 0.77 -1.85 -0.03 0.00 -0.91 0.00 0.00 33.84 31.82 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 -0.74 0.00 -1.59 7.52 4.07 -0.84 -3.49 115.31 120.25 3dks h LEU 40 Ca -0.43 0.00 -0.45 0.00 0.08 0.00 0.00 57.88 57.08 3dks h LEU 40 Cb 1.33 0.00 0.01 0.00 1.08 0.00 0.00 40.66 43.09 3dks h LEU 40 CO -0.26 0.51 -0.82 1.41 -1.08 0.00 0.00 178.44 178.20 3dks n HIS 41 N -3.02 -1.97 0.06 1.13 8.25 -0.14 -4.92 115.22 114.61 3dks n HIS 41 Ca -0.04 0.84 -0.11 0.00 -0.26 0.00 0.00 57.72 58.15 3dks n HIS 41 Cb 0.78 -4.18 -0.04 0.00 1.12 0.00 0.00 29.99 27.67 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 -1.91 0.54 -0.41 1.59 1.08 -1.29 -2.54 117.51 114.57 3dks h ILE 42 Ca -0.61 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 63.95 3dks h ILE 42 Cb 1.37 0.54 -0.09 0.00 -3.07 0.00 0.00 36.82 35.56 3dks h ILE 42 CO 0.60 0.00 -0.21 0.28 -0.69 0.00 0.00 178.15 178.13 3dks h SER 43 N -0.31 -0.73 -0.43 1.72 0.02 -1.92 0.61 113.55 112.51 3dks h SER 43 Ca 0.06 0.16 0.02 0.00 -0.84 0.00 0.00 61.79 61.19 3dks h SER 43 Cb 0.39 0.38 -0.03 0.00 0.14 0.00 0.00 62.40 63.28 3dks h SER 43 CO -0.18 -0.24 0.25 0.44 -1.14 0.00 0.00 176.83 175.96 3dks h ASP 44 N -0.14 0.41 -0.20 3.07 3.32 -1.93 -0.89 116.42 120.07 3dks h ASP 44 Ca 0.20 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.13 3dks h ASP 44 Cb 0.45 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 3dks h ASP 44 CO -0.49 0.29 -0.30 0.78 -1.72 0.00 0.00 179.24 177.80 3dks h ASN 45 N 0.51 0.72 -0.28 6.45 2.35 -0.98 -1.70 115.58 122.65 3dks h ASN 45 Ca 0.17 -0.29 -0.01 0.00 -0.55 0.00 0.00 56.30 55.63 3dks h ASN 45 Cb 0.01 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 3dks h ASN 45 CO -0.08 0.98 0.14 0.58 -1.65 0.00 0.00 177.43 177.40 3dks h VAL 46 N 0.59 1.13 -0.45 2.81 2.07 -0.74 -3.18 116.25 118.48 3dks h VAL 46 Ca 0.07 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 67.26 3dks h VAL 46 Cb 0.81 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 3dks h VAL 46 CO 0.07 0.13 0.23 0.50 0.02 0.00 0.00 177.57 178.53 3dks h LYS 47 N 0.32 0.45 -0.77 1.57 3.64 -0.88 -2.00 116.57 118.90 3dks h LYS 47 Ca 0.10 -0.03 0.21 0.00 -1.27 0.00 0.00 60.65 59.66 3dks h LYS 47 Cb 0.08 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 3dks h LYS 47 CO -0.01 0.30 0.55 0.87 -2.27 0.00 0.00 179.45 178.88 3dks h LYS 48 N 0.47 0.08 -0.25 1.90 1.57 -1.31 -2.00 116.57 117.03 3dks h LYS 48 Ca 0.19 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3dks h LYS 48 Cb 0.09 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3dks h LYS 48 CO -0.13 0.05 0.00 1.63 -0.57 0.00 0.00 179.45 180.44 3dks n LYS 49 N -4.35 2.32 -3.07 3.15 5.02 -0.78 -4.95 118.16 115.50 3dks n LYS 49 Ca 0.16 -2.09 -0.39 0.00 -2.02 0.00 0.00 58.31 53.97 3dks n LYS 49 Cb 0.79 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 34.27 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 -1.59 4.54 0.00 -0.35 1.43 -0.76 -4.77 118.68 117.18 3dks s LEU 50 Ca 0.33 1.52 -0.17 0.00 -1.03 0.00 0.00 54.13 54.77 3dks s LEU 50 Cb 0.21 -3.24 0.25 0.00 0.03 0.00 0.00 46.19 43.44 3dks s LEU 50 CO 0.29 0.20 1.06 -0.81 0.23 0.00 0.00 176.35 177.33 3dks n PRO 51 N 1.49 -2.26 -2.86 1.29 -0.04 -1.26 -5.00 135.00 126.36 3dks n PRO 51 Ca -0.06 -1.67 -0.28 0.00 -0.04 0.00 0.00 63.50 61.44 3dks n PRO 51 Cb 0.50 -1.38 -0.02 0.00 -0.04 0.00 0.00 33.50 32.56 3dks n PRO 51 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3dks s GLU 52 N -5.37 3.64 0.00 0.54 0.41 -1.26 -3.40 118.70 113.25 3dks s GLU 52 Ca 0.65 0.24 0.00 0.00 -0.41 0.00 0.00 54.97 55.45 3dks s GLU 52 Cb -0.05 -2.44 0.00 0.00 -1.78 0.00 0.00 34.13 29.87 3dks s GLU 52 CO 0.48 -0.07 0.00 0.41 -0.49 0.00 0.00 175.26 175.60 3dks n GLY 53 N -1.70 3.03 3.41 -1.39 0.00 -1.26 -5.02 105.19 102.25 3dks n GLY 53 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.18 4.92 0.16 1.61 1.01 -1.22 -5.08 120.40 119.63 3dks s VAL 54 Ca 0.00 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.16 3dks s VAL 54 Cb 0.00 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 3dks s VAL 54 CO 0.00 -0.32 0.32 -1.59 0.00 0.00 0.00 175.10 173.51 3dks s LYS 55 N 1.61 3.47 -0.12 2.72 0.00 -1.26 -4.84 119.74 121.31 3dks s LYS 55 Ca 0.04 -0.49 -0.02 0.00 0.00 0.00 0.00 55.97 55.50 3dks s LYS 55 Cb -0.20 -2.92 -0.02 0.00 0.00 0.00 0.00 37.83 34.68 3dks s LYS 55 CO 0.08 0.48 -0.07 -1.64 0.00 0.00 0.00 175.35 174.20 3dks s MET 56 N -3.23 3.35 -0.06 1.78 -1.94 -1.26 -3.47 119.30 114.47 3dks s MET 56 Ca 0.36 -0.57 0.05 0.00 -1.71 0.00 0.00 55.69 53.81 3dks s MET 56 Cb -0.11 -2.75 -0.02 0.00 2.01 0.00 0.00 34.83 33.96 3dks s MET 56 CO 0.29 0.35 -0.21 0.99 -0.01 0.00 0.00 175.02 176.43 3dks s THR 57 N 0.05 2.44 -0.11 2.05 2.01 0.50 -5.02 115.64 117.55 3dks s THR 57 Ca -0.02 -0.93 0.01 0.00 0.31 0.00 0.00 61.69 61.06 3dks s THR 57 Cb -0.14 -1.93 0.02 0.00 0.01 0.00 0.00 72.50 70.47 3dks s THR 57 CO 0.03 0.57 -0.11 -0.75 -0.69 0.00 0.00 174.62 173.67 3dks s LYS 58 N -0.24 1.84 0.05 4.92 2.20 -1.26 -0.47 119.74 126.79 3dks s LYS 58 Ca -0.01 -0.40 0.09 0.00 -0.36 0.00 0.00 55.97 55.30 3dks s LYS 58 Cb -0.13 -1.71 -0.03 0.00 -1.51 0.00 0.00 37.83 34.45 3dks s LYS 58 CO 0.03 -0.16 -0.26 0.71 -0.36 0.00 0.00 175.35 175.30 3dks s TYR 59 N 1.32 2.30 0.26 4.03 2.02 0.05 -4.98 117.35 122.34 3dks s TYR 59 Ca -0.01 -0.41 -0.14 0.00 -0.37 0.00 0.00 57.07 56.14 3dks s TYR 59 Cb -0.14 -1.36 -0.08 0.00 -0.40 0.00 0.00 41.96 39.98 3dks s TYR 59 CO -0.05 0.15 0.65 -1.58 -1.57 0.00 0.00 175.55 173.14 3dks s HIS 60 N -0.83 3.45 0.08 2.71 2.46 -1.26 -1.57 115.29 120.33 3dks s HIS 60 Ca 0.12 1.10 0.06 0.00 0.47 0.00 0.00 55.06 56.80 3dks s HIS 60 Cb -0.10 -2.43 -0.04 0.00 -0.13 0.00 0.00 32.58 29.88 3dks s HIS 60 CO 0.02 0.23 -0.07 0.14 -2.47 0.00 0.00 174.74 172.59 3dks s VAL 61 N -1.80 3.54 -1.94 0.89 -7.23 0.22 -4.81 120.40 109.27 3dks s VAL 61 Ca 0.48 -1.12 0.22 0.00 -1.81 0.00 0.00 61.98 59.76 3dks s VAL 61 Cb -0.12 -2.64 -0.02 0.00 0.56 0.00 0.00 36.38 34.16 3dks s VAL 61 CO 0.19 0.17 1.05 -0.46 -0.31 0.00 0.00 175.10 175.75 3dks n ASN 62 N 0.86 1.96 0.00 4.85 0.23 -1.26 -4.49 115.26 117.40 3dks n ASN 62 Ca -0.13 -1.48 0.11 0.00 -0.53 0.00 0.00 54.58 52.55 3dks n ASN 62 Cb 0.52 0.50 0.49 0.00 -2.08 0.00 0.00 39.78 39.21 3dks n ASN 62 CO 0.00 0.00 0.00 2.22 -0.93 0.00 0.00 177.26 178.55 3dks n PHE 63 N -0.08 0.00 -4.15 -2.53 1.16 -1.26 -4.42 117.46 106.18 3dks n PHE 63 Ca 0.09 0.00 -0.34 0.00 -1.87 0.00 0.00 57.45 55.33 3dks n PHE 63 Cb 0.45 -0.46 -0.08 0.00 -1.61 0.00 0.00 39.48 37.78 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 -2.92 3.07 0.00 3.97 -1.94 -1.26 -4.73 119.30 115.49 3dks s MET 64 Ca 0.13 -0.43 0.00 0.00 -1.71 0.00 0.00 55.69 53.67 3dks s MET 64 Cb 0.15 -2.87 0.00 0.00 2.01 0.00 0.00 34.83 34.11 3dks s MET 64 CO 0.39 0.67 0.00 0.41 -0.01 0.00 0.00 175.02 176.49 3dks n GLY 65 N 1.52 0.63 7.00 -0.03 0.00 -1.26 -4.10 105.19 108.95 3dks n GLY 65 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.72 2.84 0.32 -0.02 0.00 -1.26 -2.29 105.19 102.06 3dks n GLY 66 Ca 0.00 -0.39 0.06 0.00 0.00 0.00 0.00 46.02 45.68 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 9.42 0.71 0.34 1.61 5.19 -1.92 0.13 116.42 131.91 3dks h ASP 67 Ca 0.00 0.06 -0.06 0.00 -0.62 0.00 0.00 57.03 56.41 3dks h ASP 67 Cb 0.00 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.43 3dks h ASP 67 CO 0.00 0.37 -0.28 0.25 -3.12 0.00 0.00 179.24 176.45 3dks h LEU 68 N 0.80 0.00 -0.46 1.55 5.85 -1.90 -2.01 115.31 119.14 3dks h LEU 68 Ca 0.45 0.00 0.03 0.00 0.84 0.00 0.00 57.88 59.20 3dks h LEU 68 Cb 0.50 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 3dks h LEU 68 CO -0.29 0.28 0.26 1.23 -0.34 0.00 0.00 178.44 179.58 3dks h GLY 69 N 0.97 0.64 0.99 3.75 0.00 -0.32 -0.15 103.07 108.95 3dks h GLY 69 Ca -0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 3dks h GLY 69 CO 0.04 0.15 0.25 0.50 0.00 0.00 0.00 176.54 177.47 3dks h LYS 70 N 0.51 0.86 -0.43 4.80 1.79 -0.92 -2.05 116.57 121.13 3dks h LYS 70 Ca 0.19 -0.15 -0.06 0.00 -2.18 0.00 0.00 60.65 58.46 3dks h LYS 70 Cb 0.05 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.54 3dks h LYS 70 CO -0.11 0.72 0.02 -0.44 -1.08 0.00 0.00 179.45 178.56 3dks h ASP 71 N 0.79 0.64 0.06 0.86 3.32 -1.13 -1.81 116.42 119.16 3dks h ASP 71 Ca 0.20 -0.13 -0.12 0.00 0.02 0.00 0.00 57.03 56.99 3dks h ASP 71 Cb 0.17 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3dks h ASP 71 CO -0.02 0.70 -0.39 -0.07 -1.72 0.00 0.00 179.24 177.74 3dks h LEU 72 N 0.64 0.45 -0.54 1.55 3.38 -0.80 0.13 115.31 120.12 3dks h LEU 72 Ca 0.13 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 3dks h LEU 72 Cb 0.37 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3dks h LEU 72 CO 0.01 0.81 -0.06 0.74 0.09 0.00 0.00 178.44 180.03 3dks h THR 73 N 0.36 1.27 -0.45 0.22 2.02 -1.01 -0.30 112.91 115.02 3dks h THR 73 Ca 0.03 -1.20 -0.14 0.00 0.77 0.00 0.00 66.41 65.87 3dks h THR 73 Cb 0.85 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 3dks h THR 73 CO 0.07 0.42 -0.27 -0.61 0.37 0.00 0.00 175.52 175.50 3dks h GLN 74 N 0.88 0.97 -0.56 6.66 4.15 -1.13 -1.81 115.11 124.27 3dks h GLN 74 Ca 0.15 -0.45 -0.04 0.00 0.77 0.00 0.00 58.65 59.07 3dks h GLN 74 Cb 0.61 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.26 3dks h GLN 74 CO 0.04 1.12 0.16 0.00 -1.93 0.00 0.00 178.83 178.22 3dks h ALA 75 N 0.85 1.25 -0.47 3.38 0.00 -0.63 -0.72 119.26 122.92 3dks h ALA 75 Ca 0.09 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3dks h ALA 75 Cb 0.86 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3dks h ALA 75 CO 0.08 0.53 -0.05 2.35 0.00 0.00 0.00 179.25 182.16 3dks h TRP 76 N 0.81 0.87 -0.51 0.00 2.91 -0.86 0.25 115.95 119.41 3dks h TRP 76 Ca 0.18 -0.14 -0.00 0.00 1.13 0.00 0.00 58.89 60.06 3dks h TRP 76 Cb 0.25 -0.23 -0.02 0.00 -0.51 0.00 0.00 29.16 28.65 3dks h TRP 76 CO 0.02 0.83 0.31 0.00 -1.03 0.00 0.00 178.44 178.56 3dks h ALA 77 N 1.20 0.65 -0.20 2.65 0.00 -0.69 0.73 119.26 123.61 3dks h ALA 77 Ca 0.14 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3dks h ALA 77 Cb 0.52 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3dks h ALA 77 CO 0.03 0.14 -0.03 0.28 0.00 0.00 0.00 179.25 179.67 3dks h VAL 78 N 0.69 0.83 -0.58 0.00 2.07 -0.76 0.19 116.25 118.68 3dks h VAL 78 Ca 0.18 -0.01 0.09 0.00 0.82 0.00 0.00 66.70 67.79 3dks h VAL 78 Cb -0.01 0.80 -0.07 0.00 -1.52 0.00 0.00 31.29 30.49 3dks h VAL 78 CO -0.03 0.00 0.20 0.00 0.02 0.00 0.00 177.57 177.76 3dks h ALA 79 N 1.18 0.73 -0.46 1.67 0.00 -0.59 0.67 119.26 122.46 3dks h ALA 79 Ca 0.09 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3dks h ALA 79 Cb 0.13 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3dks h ALA 79 CO -0.18 -0.22 0.08 0.52 0.00 0.00 0.00 179.25 179.45 3dks h MET 80 N 0.37 0.76 -0.68 0.00 2.86 -0.49 0.15 114.93 117.90 3dks h MET 80 Ca 0.29 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.70 3dks h MET 80 Cb 0.36 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 3dks h MET 80 CO -0.31 0.77 0.30 0.00 1.06 0.00 0.00 176.91 178.73 3dks h ALA 81 N 0.96 0.88 -0.00 6.32 0.00 0.13 -2.67 119.26 124.86 3dks h ALA 81 Ca 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3dks h ALA 81 Cb 0.38 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3dks h ALA 81 CO 0.01 0.47 -0.35 1.28 0.00 0.00 0.00 179.25 180.66 3dks n LEU 82 N -4.42 0.65 -2.21 0.00 4.77 0.16 -4.96 117.00 110.99 3dks n LEU 82 Ca 0.05 -0.06 -0.15 0.00 -0.03 0.00 0.00 56.01 55.82 3dks n LEU 82 Cb 0.15 -0.21 0.03 0.00 -2.33 0.00 0.00 43.42 41.06 3dks n LEU 82 CO 0.39 0.14 0.04 0.61 -1.33 0.00 0.00 177.39 177.24 3dks n GLY 83 N 1.42 -0.10 1.22 -0.72 0.00 0.34 -4.94 105.19 102.41 3dks n GLY 83 Ca 0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 46.02 45.95 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 -4.11 2.55 -0.24 1.61 0.24 -0.07 -4.75 118.33 113.55 3dks n VAL 84 Ca -0.06 -2.29 0.03 0.00 -2.04 0.00 0.00 64.34 59.98 3dks n VAL 84 Cb 0.57 -0.31 0.16 0.00 -1.47 0.00 0.00 33.84 32.78 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 1.39 0.40 0.00 7.34 3.07 -1.93 -1.67 114.58 123.19 3dks h GLU 85 Ca 0.19 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.02 3dks h GLU 85 Cb 1.75 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 29.56 3dks h GLU 85 CO 0.42 0.27 0.00 -0.25 -1.40 0.00 0.00 179.01 178.05 3dks n ASP 86 N -5.02 0.00 -0.03 1.42 8.00 -1.26 -1.88 116.55 117.78 3dks n ASP 86 Ca 0.12 -0.13 0.04 0.00 0.71 0.00 0.00 54.79 55.53 3dks n ASP 86 Cb 0.37 -0.27 -0.14 0.00 -0.02 0.00 0.00 41.12 41.06 3dks n ASP 86 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3dks n LYS 87 N -1.27 0.76 -0.00 -1.24 5.02 -0.66 -4.67 118.16 116.10 3dks n LYS 87 Ca 0.13 -0.12 0.04 0.00 -2.02 0.00 0.00 58.31 56.34 3dks n LYS 87 Cb 0.19 -1.45 -0.05 0.00 -0.02 0.00 0.00 35.03 33.71 3dks n LYS 87 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3dks n VAL 88 N -2.31 0.00 0.08 -0.18 0.24 -1.05 -4.64 118.33 110.47 3dks n VAL 88 Ca -0.12 -0.26 -0.13 0.00 -2.04 0.00 0.00 64.34 61.80 3dks n VAL 88 Cb 0.68 0.71 -0.08 0.00 -1.47 0.00 0.00 33.84 33.68 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 0.95 0.57 3.34 2.02 -1.64 -1.68 112.91 116.46 3dks h THR 89 Ca 0.00 -0.14 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 3dks h THR 89 Cb 0.26 1.04 0.01 0.00 -1.74 0.00 0.00 68.15 67.72 3dks h THR 89 CO 0.00 0.03 -0.27 0.58 0.37 0.00 0.00 175.52 176.23 3dks h VAL 90 N -0.18 0.38 0.00 3.16 2.07 -1.85 -1.46 116.25 118.35 3dks h VAL 90 Ca -0.01 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 3dks h VAL 90 Cb 0.15 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 3dks h VAL 90 CO 0.02 0.03 -0.02 1.55 0.02 0.00 0.00 177.57 179.18 3dks h PRO 91 N -0.93 0.00 -0.01 1.57 0.13 -1.82 -0.43 132.00 130.52 3dks h PRO 91 Ca -0.08 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.05 3dks h PRO 91 Cb 0.64 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.77 3dks h PRO 91 CO 0.13 0.02 -0.00 -0.07 -0.23 0.00 0.00 178.00 177.84 3dks h LEU 92 N 0.00 0.01 -0.39 1.56 3.38 -1.22 0.17 115.31 118.83 3dks h LEU 92 Ca -0.00 -0.43 0.06 0.00 0.09 0.00 0.00 57.88 57.61 3dks h LEU 92 Cb 0.03 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 3dks h LEU 92 CO 0.00 0.44 0.05 -0.26 0.09 0.00 0.00 178.44 178.76 3dks h PHE 93 N -0.41 0.08 -0.54 1.13 0.04 -0.88 -1.38 116.94 114.99 3dks h PHE 93 Ca 0.00 0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.69 3dks h PHE 93 Cb 0.43 0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.58 3dks h PHE 93 CO 0.07 -0.01 -0.08 0.93 -0.60 0.00 0.00 178.31 178.63 3dks h GLU 94 N 0.17 1.00 -0.55 1.51 5.08 -1.09 -0.14 114.58 120.56 3dks h GLU 94 Ca 0.19 -0.36 -0.09 0.00 -1.00 0.00 0.00 59.36 58.10 3dks h GLU 94 Cb 0.24 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3dks h GLU 94 CO -0.27 1.04 -0.01 0.78 -1.00 0.00 0.00 179.01 179.55 3dks h GLY 95 N 0.87 1.02 0.59 -3.84 0.00 -0.48 0.74 103.07 101.97 3dks h GLY 95 Ca 0.14 -0.73 -0.10 0.00 0.00 0.00 0.00 47.33 46.64 3dks h GLY 95 CO 0.04 0.67 -0.40 -2.08 0.00 0.00 0.00 176.54 174.77 3dks h VAL 96 N 0.87 1.50 0.00 4.60 2.07 -1.17 0.95 116.25 125.07 3dks h VAL 96 Ca 0.16 -2.01 -0.22 0.00 0.82 0.00 0.00 66.70 65.45 3dks h VAL 96 Cb 0.53 2.70 -0.04 0.00 -1.52 0.00 0.00 31.29 32.96 3dks h VAL 96 CO 0.03 0.57 -1.81 0.00 0.02 0.00 0.00 177.57 176.37 3dks n GLN 97 N -4.38 1.32 -0.05 1.57 6.02 -0.07 -3.96 117.38 117.82 3dks n GLN 97 Ca -0.10 0.04 -0.02 0.00 -0.01 0.00 0.00 57.00 56.91 3dks n GLN 97 Cb 0.58 -1.29 -0.01 0.00 1.02 0.00 0.00 30.24 30.54 3dks n GLN 97 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 3dks h LYS 98 N 0.00 0.00 0.00 -1.09 3.64 -1.04 -3.41 116.57 114.67 3dks h LYS 98 Ca -0.32 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.05 3dks h LYS 98 Cb 1.62 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.44 3dks h LYS 98 CO -0.01 0.00 -0.94 1.79 -2.27 0.00 0.00 179.45 178.01 3dks h THR 99 N -0.84 0.02 -4.84 1.00 1.35 -1.26 -3.48 112.91 104.86 3dks h THR 99 Ca 0.00 -1.03 -0.40 0.00 -0.55 0.00 0.00 66.41 64.43 3dks h THR 99 Cb 0.18 1.55 0.02 0.00 -1.73 0.00 0.00 68.15 68.17 3dks h THR 99 CO 0.00 0.01 -0.60 0.00 -0.25 0.00 0.00 175.52 174.68 3dks n GLN 100 N -2.72 -4.61 0.00 4.72 6.02 -0.91 -4.88 117.38 115.00 3dks n GLN 100 Ca -0.00 0.78 0.12 0.00 -0.01 0.00 0.00 57.00 57.89 3dks n GLN 100 Cb 0.56 -5.61 0.20 0.00 1.02 0.00 0.00 30.24 26.41 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 -4.37 0.00 -3.44 5.09 -2.24 0.22 -4.73 114.28 104.80 3dks n THR 101 Ca -0.08 -0.14 -0.43 0.00 -2.27 0.00 0.00 64.05 61.13 3dks n THR 101 Cb 0.59 0.70 -0.10 0.00 -2.10 0.00 0.00 70.33 69.43 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 -2.60 5.24 0.00 2.28 1.01 -0.54 -4.84 121.20 121.75 3dks s ILE 102 Ca 0.19 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 60.16 3dks s ILE 102 Cb 0.18 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.69 3dks s ILE 102 CO 0.59 -0.35 0.00 0.54 0.00 0.00 0.00 174.94 175.72 3dks n ARG 103 N 5.21 3.68 -4.14 2.79 1.74 -1.26 -4.66 116.66 120.02 3dks n ARG 103 Ca -0.11 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.87 3dks n ARG 103 Cb 0.47 -0.33 -0.09 0.00 -1.02 0.00 0.00 32.46 31.48 3dks n ARG 103 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3dks s SER 104 N -0.61 0.17 0.37 0.55 1.04 -1.26 -4.93 113.70 109.04 3dks s SER 104 Ca 0.00 -1.23 0.04 0.00 0.48 0.00 0.00 55.95 55.24 3dks s SER 104 Cb 0.00 0.38 0.71 0.00 0.10 0.00 0.00 66.02 67.21 3dks s SER 104 CO 0.00 -0.83 2.01 0.00 0.98 0.00 0.00 173.24 175.40 3dks h ALA 105 N 2.66 1.59 -0.76 5.32 0.00 -1.97 -2.14 119.26 123.96 3dks h ALA 105 Ca -0.34 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 3dks h ALA 105 Cb 1.23 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 3dks h ALA 105 CO 0.53 0.37 0.47 1.03 0.00 0.00 0.00 179.25 181.65 3dks h SER 106 N 0.71 0.90 0.17 0.00 0.87 -1.99 -1.38 113.55 112.83 3dks h SER 106 Ca 0.19 -0.04 -0.15 0.00 -1.23 0.00 0.00 61.79 60.56 3dks h SER 106 Cb -0.04 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.68 3dks h SER 106 CO -0.04 0.68 -0.55 0.44 -0.53 0.00 0.00 176.83 176.83 3dks h ASP 107 N 1.04 0.45 0.04 6.23 3.32 -1.75 -1.34 116.42 124.41 3dks h ASP 107 Ca 0.28 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 3dks h ASP 107 Cb -0.06 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.36 3dks h ASP 107 CO -0.05 0.92 -0.02 0.40 -1.72 0.00 0.00 179.24 178.76 3dks h ILE 108 N 0.31 1.11 -0.73 0.35 2.04 -1.25 -2.87 117.51 116.47 3dks h ILE 108 Ca 0.00 -0.47 0.11 0.00 1.00 0.00 0.00 64.86 65.51 3dks h ILE 108 Cb 1.07 1.42 -0.08 0.00 -0.74 0.00 0.00 36.82 38.49 3dks h ILE 108 CO 0.10 0.12 0.35 -0.09 0.00 0.00 0.00 178.15 178.62 3dks h ARG 109 N -0.25 0.54 -0.98 2.37 2.43 -1.11 -1.51 114.38 115.87 3dks h ARG 109 Ca -0.01 -0.03 0.11 0.00 -0.81 0.00 0.00 59.98 59.25 3dks h ARG 109 Cb 0.23 -0.12 -0.08 0.00 -0.42 0.00 0.00 29.97 29.58 3dks h ARG 109 CO 0.01 0.36 0.62 -0.44 -1.51 0.00 0.00 179.97 179.01 3dks h ASP 110 N 0.56 0.90 -0.49 -3.80 3.32 -1.14 -1.00 116.42 114.77 3dks h ASP 110 Ca 0.38 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.46 3dks h ASP 110 Cb 0.47 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 3dks h ASP 110 CO -0.32 0.50 0.27 0.58 -1.72 0.00 0.00 179.24 178.55 3dks h VAL 111 N 0.98 1.17 -0.70 -1.35 2.07 -1.06 -0.48 116.25 116.87 3dks h VAL 111 Ca 0.48 -0.43 -0.06 0.00 0.82 0.00 0.00 66.70 67.50 3dks h VAL 111 Cb 0.46 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 3dks h VAL 111 CO -0.24 0.18 0.21 -0.26 0.02 0.00 0.00 177.57 177.48 3dks h PHE 112 N 0.65 1.13 -0.26 1.57 -1.00 -1.06 -1.47 116.94 116.51 3dks h PHE 112 Ca 0.17 -0.12 -0.02 0.00 2.81 0.00 0.00 57.97 60.81 3dks h PHE 112 Cb 0.05 -0.33 -0.01 0.00 3.61 0.00 0.00 35.95 39.27 3dks h PHE 112 CO -0.02 0.91 0.08 0.82 -1.61 0.00 0.00 178.31 178.49 3dks h ILE 113 N 1.03 1.19 0.00 -0.55 2.04 -1.02 -0.35 117.51 119.85 3dks h ILE 113 Ca 0.22 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.47 3dks h ILE 113 Cb 0.32 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 3dks h ILE 113 CO -0.01 0.20 0.00 0.78 0.00 0.00 0.00 178.15 179.13 3dks h ASN 114 N 0.25 0.00 -0.02 1.72 2.35 -0.98 -1.45 115.58 117.45 3dks h ASN 114 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3dks h ASN 114 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 3dks h ASN 114 CO -0.00 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.78 3dks n ALA 115 N -1.90 2.53 0.00 -0.83 0.00 -0.56 -4.94 120.51 114.80 3dks n ALA 115 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.91 3dks n ALA 115 Cb 0.18 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 1.24 0.85 3.53 0.00 0.00 -0.55 -5.04 105.19 105.21 3dks n GLY 116 Ca 0.17 0.00 -0.43 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 4.50 0.37 -0.61 1.09 -0.20 -4.98 121.20 119.37 3dks s ILE 117 Ca 0.00 0.36 -0.26 0.00 -1.10 0.00 0.00 60.65 59.65 3dks s ILE 117 Cb 0.00 -4.45 -0.12 0.00 -1.06 0.00 0.00 42.46 36.84 3dks s ILE 117 CO 0.00 -0.94 1.14 0.29 -0.10 0.00 0.00 174.94 175.33 3dks n LYS 118 N 7.14 1.69 -0.32 2.79 4.76 -1.26 -3.25 118.16 129.72 3dks n LYS 118 Ca 0.02 0.60 0.14 0.00 -2.87 0.00 0.00 58.31 56.20 3dks n LYS 118 Cb 0.48 -2.16 0.37 0.00 -1.84 0.00 0.00 35.03 31.88 3dks n LYS 118 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 3dks h GLY 119 N 2.02 1.45 1.01 0.72 0.00 -1.94 -0.30 103.07 106.03 3dks h GLY 119 Ca -0.45 -0.31 -0.08 0.00 0.00 0.00 0.00 47.33 46.49 3dks h GLY 119 CO 0.60 -0.00 -0.01 0.83 0.00 0.00 0.00 176.54 177.95 3dks h GLU 120 N 0.68 0.87 -0.52 4.80 3.07 -1.99 -0.24 114.58 121.26 3dks h GLU 120 Ca 0.53 -0.28 -0.05 0.00 -0.50 0.00 0.00 59.36 59.05 3dks h GLU 120 Cb 0.92 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.73 3dks h GLU 120 CO -0.29 0.91 0.13 1.49 -1.40 0.00 0.00 179.01 179.85 3dks h GLU 121 N 0.72 0.84 -0.44 2.33 4.81 -1.56 -1.43 114.58 119.85 3dks h GLU 121 Ca 0.14 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 3dks h GLU 121 Cb 0.53 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 3dks h GLU 121 CO 0.03 0.80 0.23 -0.92 -0.73 0.00 0.00 179.01 178.42 3dks h TYR 122 N 0.73 0.62 -0.71 0.92 3.20 -1.02 -2.21 116.97 118.51 3dks h TYR 122 Ca 0.16 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.98 3dks h TYR 122 Cb 0.34 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 3dks h TYR 122 CO 0.02 0.48 0.31 -0.44 -1.64 0.00 0.00 178.16 176.90 3dks h ASP 123 N 0.58 0.95 -0.14 -2.11 3.32 -0.89 0.22 116.42 118.35 3dks h ASP 123 Ca 0.15 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3dks h ASP 123 Cb 0.08 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 3dks h ASP 123 CO -0.02 0.84 0.07 0.00 -1.72 0.00 0.00 179.24 178.41 3dks h ALA 124 N 1.15 0.17 0.16 3.45 0.00 -1.17 -2.09 119.26 120.94 3dks h ALA 124 Ca 0.24 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3dks h ALA 124 Cb 0.16 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3dks h ALA 124 CO -0.03 -0.28 -0.19 0.00 0.00 0.00 0.00 179.25 178.76 3dks h ALA 125 N 0.95 -0.36 -0.90 0.00 0.00 -1.13 -1.90 119.26 115.92 3dks h ALA 125 Ca 0.05 -0.05 0.25 0.00 0.00 0.00 0.00 54.91 55.16 3dks h ALA 125 Cb 0.10 0.28 -0.14 0.00 0.00 0.00 0.00 17.79 18.02 3dks h ALA 125 CO -0.01 -0.73 0.31 2.35 0.00 0.00 0.00 179.25 181.17 3dks h TRP 126 N -0.39 0.48 -0.33 0.00 2.91 -0.42 -0.49 115.95 117.71 3dks h TRP 126 Ca 0.01 0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.08 3dks h TRP 126 Cb 0.38 -0.07 0.00 0.00 -0.51 0.00 0.00 29.16 28.97 3dks h TRP 126 CO -0.16 -0.19 0.00 0.09 -1.03 0.00 0.00 178.44 177.15 3dks n ASN 127 N -5.18 2.67 -4.82 2.65 3.02 -0.80 -4.81 115.26 107.99 3dks n ASN 127 Ca 0.23 -1.89 -0.33 0.00 -0.03 0.00 0.00 54.58 52.57 3dks n ASN 127 Cb 0.74 -0.21 -0.02 0.00 -0.61 0.00 0.00 39.78 39.67 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 -1.43 6.33 0.24 6.41 1.04 -0.19 -4.96 113.70 121.13 3dks s SER 128 Ca 0.36 1.71 -0.06 0.00 0.48 0.00 0.00 55.95 58.44 3dks s SER 128 Cb 0.20 -2.53 0.25 0.00 0.10 0.00 0.00 66.02 64.04 3dks s SER 128 CO 0.28 -0.79 1.82 -0.26 0.98 0.00 0.00 173.24 175.27 3dks h PHE 129 N 0.91 1.13 -0.62 5.02 -1.00 -1.90 -2.20 116.94 118.28 3dks h PHE 129 Ca -0.47 -0.07 0.11 0.00 2.81 0.00 0.00 57.97 60.35 3dks h PHE 129 Cb 1.20 -0.35 -0.08 0.00 3.61 0.00 0.00 35.95 40.33 3dks h PHE 129 CO 0.61 0.84 0.19 0.28 -1.61 0.00 0.00 178.31 178.62 3dks h VAL 130 N 1.11 0.69 -0.41 -0.55 2.07 -1.93 0.73 116.25 117.96 3dks h VAL 130 Ca 0.26 -0.12 -0.14 0.00 0.82 0.00 0.00 66.70 67.53 3dks h VAL 130 Cb 0.17 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 3dks h VAL 130 CO -0.03 0.06 -0.28 0.58 0.02 0.00 0.00 177.57 177.92 3dks h VAL 131 N 0.34 1.27 -0.49 2.57 2.07 -1.73 -1.01 116.25 119.27 3dks h VAL 131 Ca 0.32 -1.44 0.06 0.00 0.82 0.00 0.00 66.70 66.46 3dks h VAL 131 Cb 0.46 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.44 3dks h VAL 131 CO -0.37 0.48 0.21 0.11 0.02 0.00 0.00 177.57 178.02 3dks h LYS 132 N 0.74 0.39 -0.55 1.57 1.57 -0.83 -0.01 116.57 119.46 3dks h LYS 132 Ca 0.09 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3dks h LYS 132 Cb 0.84 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.04 3dks h LYS 132 CO 0.07 0.26 0.34 1.03 -0.57 0.00 0.00 179.45 180.59 3dks h SER 133 N 0.41 0.65 0.14 0.86 0.87 -0.60 -2.47 113.55 113.40 3dks h SER 133 Ca 0.23 -0.05 -0.11 0.00 -1.23 0.00 0.00 61.79 60.63 3dks h SER 133 Cb 0.20 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 3dks h SER 133 CO -0.20 0.51 -0.38 -0.07 -0.53 0.00 0.00 176.83 176.15 3dks h LEU 134 N 0.74 0.35 -0.07 2.23 3.38 -0.67 0.16 115.31 121.43 3dks h LEU 134 Ca 0.20 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3dks h LEU 134 Cb -0.04 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 3dks h LEU 134 CO -0.04 0.70 0.03 0.58 0.09 0.00 0.00 178.44 179.80 3dks h VAL 135 N 0.28 1.15 -0.79 1.22 2.07 -0.84 -2.08 116.25 117.26 3dks h VAL 135 Ca 0.03 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 3dks h VAL 135 Cb 0.80 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.86 3dks h VAL 135 CO 0.06 0.13 0.45 0.00 0.02 0.00 0.00 177.57 178.23 3dks h ALA 136 N 0.85 1.01 -0.50 1.67 0.00 -1.18 -1.80 119.26 119.32 3dks h ALA 136 Ca 0.02 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.87 3dks h ALA 136 Cb 0.18 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3dks h ALA 136 CO -0.00 0.50 0.25 0.37 0.00 0.00 0.00 179.25 180.37 3dks h GLN 137 N 1.09 0.47 -0.54 0.00 4.15 -0.62 0.87 115.11 120.52 3dks h GLN 137 Ca 0.28 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.64 3dks h GLN 137 Cb 0.01 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.57 3dks h GLN 137 CO -0.05 0.31 0.23 1.96 -1.93 0.00 0.00 178.83 179.35 3dks h GLN 138 N 0.48 0.80 -0.52 1.69 4.20 -1.15 -1.82 115.11 118.79 3dks h GLN 138 Ca 0.22 -0.14 -0.06 0.00 0.06 0.00 0.00 58.65 58.73 3dks h GLN 138 Cb 0.13 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 3dks h GLN 138 CO -0.16 0.68 0.09 0.93 -0.67 0.00 0.00 178.83 179.71 3dks h GLU 139 N 0.73 0.87 -0.56 1.46 5.08 -0.98 -2.78 114.58 118.39 3dks h GLU 139 Ca 0.18 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3dks h GLU 139 Cb 0.17 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 3dks h GLU 139 CO -0.02 0.85 0.29 -0.22 -1.00 0.00 0.00 179.01 178.91 3dks h LYS 140 N 0.75 0.80 -0.46 2.33 3.64 -0.72 -2.09 116.57 120.82 3dks h LYS 140 Ca 0.16 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 3dks h LYS 140 Cb 0.40 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 3dks h LYS 140 CO 0.01 0.63 0.23 0.00 -2.27 0.00 0.00 179.45 178.05 3dks h ALA 141 N 1.12 0.59 -0.72 5.00 0.00 -1.27 0.10 119.26 124.08 3dks h ALA 141 Ca 0.20 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3dks h ALA 141 Cb 0.08 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 3dks h ALA 141 CO -0.03 0.14 0.45 0.00 0.00 0.00 0.00 179.25 179.81 3dks h ALA 142 N 1.08 0.94 -0.44 0.00 0.00 -1.36 -2.65 119.26 116.83 3dks h ALA 142 Ca 0.16 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 3dks h ALA 142 Cb 0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3dks h ALA 142 CO -0.02 0.23 -0.29 0.00 0.00 0.00 0.00 179.25 179.17 3dks h ALA 143 N 1.31 0.64 -0.45 0.00 0.00 -0.89 -1.42 119.26 118.45 3dks h ALA 143 Ca 0.29 -0.42 0.02 0.00 0.00 0.00 0.00 54.91 54.80 3dks h ALA 143 Cb 0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3dks h ALA 143 CO -0.11 0.68 0.30 -0.44 0.00 0.00 0.00 179.25 179.67 3dks h ASP 144 N 0.82 0.47 -0.47 0.00 3.32 -0.75 -1.85 116.42 117.97 3dks h ASP 144 Ca 0.09 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3dks h ASP 144 Cb 0.88 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.31 3dks h ASP 144 CO 0.08 0.34 0.00 1.33 -1.72 0.00 0.00 179.24 179.27 3dks n VAL 145 N -4.47 0.62 -3.68 -1.35 0.24 -1.02 -4.88 118.33 103.78 3dks n VAL 145 Ca 0.04 -0.73 -0.23 0.00 -2.04 0.00 0.00 64.34 61.38 3dks n VAL 145 Cb 0.10 0.62 0.03 0.00 -1.47 0.00 0.00 33.84 33.11 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 1.23 -3.69 -2.33 7.34 6.02 -0.70 -4.87 117.38 120.39 3dks n GLN 146 Ca 0.20 0.58 -0.42 0.00 -0.01 0.00 0.00 57.00 57.35 3dks n GLN 146 Cb 0.52 -4.94 -0.03 0.00 1.02 0.00 0.00 30.24 26.82 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 -6.54 4.28 -0.01 1.08 2.96 -0.56 -4.90 118.68 114.99 3dks s LEU 147 Ca 0.14 1.93 0.11 0.00 -0.22 0.00 0.00 54.13 56.09 3dks s LEU 147 Cb -0.04 -3.55 -0.14 0.00 0.50 0.00 0.00 46.19 42.95 3dks s LEU 147 CO 0.82 -0.69 0.33 0.54 -1.32 0.00 0.00 176.35 176.03 3dks n ARG 148 N 5.69 1.80 -3.63 1.98 5.12 -1.26 -4.96 116.66 121.40 3dks n ARG 148 Ca 0.13 -0.05 -0.08 0.00 -1.93 0.00 0.00 57.85 55.91 3dks n ARG 148 Cb 0.45 -1.13 -0.02 0.00 -1.16 0.00 0.00 32.46 30.59 3dks n ARG 148 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3dks s GLY 149 N -2.67 -0.36 0.11 -0.13 0.00 -1.26 -5.18 107.32 97.84 3dks s GLY 149 Ca -0.00 0.30 0.04 0.00 0.00 0.00 0.00 44.72 45.06 3dks s GLY 149 CO 0.44 0.09 -0.10 -1.34 0.00 0.00 0.00 173.10 172.19 3dks s VAL 150 N -3.56 1.01 0.68 1.40 -7.23 -1.26 -4.43 120.40 107.02 3dks s VAL 150 Ca 0.07 -1.80 -0.13 0.00 -1.81 0.00 0.00 61.98 58.31 3dks s VAL 150 Cb -0.02 -1.54 0.01 0.00 0.56 0.00 0.00 36.38 35.38 3dks s VAL 150 CO -0.03 -0.63 1.08 -2.16 -0.31 0.00 0.00 175.10 173.04 3dks s PRO 151 N -3.16 2.79 -0.04 4.82 0.04 -1.26 -4.77 135.00 133.43 3dks s PRO 151 Ca 0.10 1.20 -0.18 0.00 0.04 0.00 0.00 61.00 62.15 3dks s PRO 151 Cb -0.01 -1.96 0.03 0.00 0.04 0.00 0.00 34.50 32.61 3dks s PRO 151 CO -0.00 -1.23 0.40 0.00 0.04 0.00 0.00 177.00 176.21 3dks s ALA 152 N -2.66 -1.02 -0.00 8.56 0.00 -1.07 -5.01 121.76 120.55 3dks s ALA 152 Ca 0.63 0.62 0.01 0.00 0.00 0.00 0.00 51.96 53.22 3dks s ALA 152 Cb -0.17 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 22.93 3dks s ALA 152 CO 0.47 -0.28 -0.02 1.41 0.00 0.00 0.00 175.76 177.35 3dks s MET 153 N -1.14 0.16 -0.02 0.00 1.75 -1.26 -0.77 119.30 118.03 3dks s MET 153 Ca -0.12 -0.06 0.05 0.00 -1.25 0.00 0.00 55.69 54.32 3dks s MET 153 Cb -0.04 -0.18 -0.01 0.00 2.84 0.00 0.00 34.83 37.44 3dks s MET 153 CO 0.05 0.03 -0.16 -0.06 -0.65 0.00 0.00 175.02 174.23 3dks s PHE 154 N 0.04 1.48 -0.18 4.11 0.40 0.66 -0.87 117.98 123.62 3dks s PHE 154 Ca -0.00 -0.30 -0.02 0.00 -0.60 0.00 0.00 56.93 56.01 3dks s PHE 154 Cb -0.02 -0.96 -0.01 0.00 0.51 0.00 0.00 43.02 42.54 3dks s PHE 154 CO -0.00 -0.05 -0.10 0.08 0.70 0.00 0.00 175.22 175.85 3dks s VAL 155 N -0.31 3.04 -1.22 -0.44 1.01 0.79 -0.53 120.40 122.74 3dks s VAL 155 Ca 0.05 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.40 3dks s VAL 155 Cb -0.07 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 33.98 3dks s VAL 155 CO -0.00 0.48 0.00 0.59 0.00 0.00 0.00 175.10 176.17 3dks n ASN 156 N 4.24 -4.03 -0.50 3.32 3.02 0.16 -1.53 115.26 119.94 3dks n ASN 156 Ca -0.19 0.21 -0.07 0.00 -0.03 0.00 0.00 54.58 54.50 3dks n ASN 156 Cb 0.51 -3.48 -0.03 0.00 -0.61 0.00 0.00 39.78 36.18 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 -0.70 0.72 0.00 7.41 0.00 -1.26 -4.78 105.19 106.58 3dks n GLY 157 Ca -0.15 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3dks n GLY 157 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dks n LYS 158 N -0.90 2.40 -5.08 1.61 5.02 -0.58 -0.55 118.16 120.08 3dks n LYS 158 Ca -0.07 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.94 3dks n LYS 158 Cb 0.45 -0.99 -0.16 0.00 -0.02 0.00 0.00 35.03 34.31 3dks n LYS 158 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3dks s TYR 159 N -1.98 2.09 -0.15 2.13 2.02 -0.95 -0.89 117.35 119.62 3dks s TYR 159 Ca 0.00 -0.57 -0.02 0.00 -0.37 0.00 0.00 57.07 56.11 3dks s TYR 159 Cb 0.00 -1.37 -0.02 0.00 -0.40 0.00 0.00 41.96 40.17 3dks s TYR 159 CO 0.00 -0.16 -0.08 -1.14 -1.57 0.00 0.00 175.55 172.60 3dks s GLN 160 N -0.17 3.50 0.37 -0.62 0.74 -0.11 -0.15 119.66 123.21 3dks s GLN 160 Ca -0.01 -0.61 -0.28 0.00 0.05 0.00 0.00 55.36 54.51 3dks s GLN 160 Cb -0.12 -2.80 -0.10 0.00 1.10 0.00 0.00 33.01 31.09 3dks s GLN 160 CO 0.02 0.16 1.37 -0.51 -0.55 0.00 0.00 175.29 175.78 3dks s LEU 161 N 0.53 4.32 -0.63 3.68 2.01 -0.05 -0.31 118.68 128.23 3dks s LEU 161 Ca -0.06 2.80 0.05 0.00 0.01 0.00 0.00 54.13 56.93 3dks s LEU 161 Cb -0.15 -3.74 0.16 0.00 0.01 0.00 0.00 46.19 42.46 3dks s LEU 161 CO 0.03 -0.76 0.41 0.21 1.01 0.00 0.00 176.35 177.25 3dks s ASN 162 N -0.45 4.53 0.57 2.29 2.47 -0.29 -4.74 114.94 119.31 3dks s ASN 162 Ca 0.53 -3.52 0.27 0.00 0.42 0.00 0.00 52.86 50.55 3dks s ASN 162 Cb -0.42 -1.59 1.68 0.00 -1.45 0.00 0.00 41.25 39.48 3dks s ASN 162 CO 0.55 -0.14 2.22 1.55 -3.72 0.00 0.00 177.10 177.56 3dks h PRO 163 N 5.80 0.00 -0.66 0.43 0.13 -1.89 -2.23 132.00 133.58 3dks h PRO 163 Ca 0.07 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 65.38 3dks h PRO 163 Cb 0.81 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.91 3dks h PRO 163 CO 0.69 0.01 0.47 1.96 -0.23 0.00 0.00 178.00 180.90 3dks h GLN 164 N 0.00 0.06 -0.54 0.86 1.08 -1.92 -0.79 115.11 113.86 3dks h GLN 164 Ca -0.00 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3dks h GLN 164 Cb 0.03 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 3dks h GLN 164 CO 0.00 0.04 0.00 0.41 -0.95 0.00 0.00 178.83 178.33 3dks n GLY 165 N -1.64 1.41 3.73 3.46 0.00 -0.84 -4.93 105.19 106.36 3dks n GLY 165 Ca 0.13 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.63 2.43 -0.08 1.61 -1.94 -0.30 -4.70 119.30 114.68 3dks s MET 166 Ca 0.28 -1.44 -0.25 0.00 -1.71 0.00 0.00 55.69 52.57 3dks s MET 166 Cb 0.17 -2.23 -0.03 0.00 2.01 0.00 0.00 34.83 34.75 3dks s MET 166 CO 0.15 0.21 0.80 -0.51 -0.01 0.00 0.00 175.02 175.67 3dks s ASP 167 N -3.81 7.07 0.00 3.03 1.01 -1.26 -4.96 116.67 117.75 3dks s ASP 167 Ca 0.36 1.30 0.06 0.00 0.71 0.00 0.00 52.55 54.98 3dks s ASP 167 Cb -0.04 -2.46 0.10 0.00 1.01 0.00 0.00 42.92 41.52 3dks s ASP 167 CO 0.22 -0.23 0.87 0.35 0.21 0.00 0.00 175.17 176.60 3dks n THR 168 N 4.07 0.39 0.19 -1.27 -2.24 -1.26 -3.52 114.28 110.64 3dks n THR 168 Ca 0.02 -0.70 0.03 0.00 -2.27 0.00 0.00 64.05 61.13 3dks n THR 168 Cb 0.51 0.88 0.38 0.00 -2.10 0.00 0.00 70.33 70.00 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 1.20 0.02 -3.22 3.42 4.64 -2.01 -3.41 113.55 114.19 3dks h SER 169 Ca 0.00 -0.01 -0.59 0.00 -0.47 0.00 0.00 61.79 60.72 3dks h SER 169 Cb 0.41 -0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.14 3dks h SER 169 CO 0.00 0.35 -0.84 0.21 -0.87 0.00 0.00 176.83 175.68 3dks s ASN 170 N -6.94 2.54 0.29 4.97 3.84 -1.26 -5.03 114.94 113.34 3dks s ASN 170 Ca -0.03 -0.45 0.05 0.00 0.21 0.00 0.00 52.86 52.64 3dks s ASN 170 Cb 0.15 -1.13 0.44 0.00 -0.55 0.00 0.00 41.25 40.16 3dks s ASN 170 CO 0.72 -0.01 1.70 0.24 -2.79 0.00 0.00 177.10 176.97 3dks h MET 171 N 7.63 0.30 -0.30 0.43 2.86 -1.91 -0.46 114.93 123.48 3dks h MET 171 Ca -0.33 -0.14 -0.04 0.00 -2.06 0.00 0.00 59.70 57.13 3dks h MET 171 Cb 1.16 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.80 3dks h MET 171 CO 0.50 0.64 0.04 -0.44 1.06 0.00 0.00 176.91 178.72 3dks h ASP 172 N 0.26 0.48 -0.38 1.22 3.32 -1.96 -0.96 116.42 118.40 3dks h ASP 172 Ca 0.03 -0.27 0.03 0.00 0.02 0.00 0.00 57.03 56.84 3dks h ASP 172 Cb 0.79 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.18 3dks h ASP 172 CO 0.06 0.63 0.17 0.58 -1.72 0.00 0.00 179.24 178.96 3dks h VAL 173 N 0.32 0.95 0.08 -1.35 2.07 -1.86 -1.35 116.25 115.10 3dks h VAL 173 Ca 0.09 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.50 3dks h VAL 173 Cb 0.36 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 3dks h VAL 173 CO 0.01 0.06 -0.11 0.15 0.02 0.00 0.00 177.57 177.70 3dks h PHE 174 N 0.36 -0.29 -0.63 1.57 3.57 -0.94 -0.42 116.94 120.16 3dks h PHE 174 Ca 0.17 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 3dks h PHE 174 Cb 0.10 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 3dks h PHE 174 CO -0.11 -0.17 0.35 0.28 -2.23 0.00 0.00 178.31 176.42 3dks h VAL 175 N -0.23 1.20 0.00 1.41 2.07 -1.06 -0.86 116.25 118.78 3dks h VAL 175 Ca 0.02 -0.50 -0.13 0.00 0.82 0.00 0.00 66.70 66.91 3dks h VAL 175 Cb 0.24 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 3dks h VAL 175 CO -0.06 0.22 -0.63 1.56 0.02 0.00 0.00 177.57 178.68 3dks h GLN 176 N 0.86 0.00 -0.58 1.57 1.08 -1.18 -0.01 115.11 116.84 3dks h GLN 176 Ca 0.22 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.35 3dks h GLN 176 Cb 0.04 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.44 3dks h GLN 176 CO -0.04 0.63 0.07 1.96 -0.95 0.00 0.00 178.83 180.50 3dks h GLN 177 N 0.00 0.97 0.36 1.46 4.20 -0.69 -0.10 115.11 121.32 3dks h GLN 177 Ca -0.01 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.41 3dks h GLN 177 Cb 1.20 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.87 3dks h GLN 177 CO 0.08 0.94 -0.18 -0.92 -0.67 0.00 0.00 178.83 178.08 3dks h TYR 178 N 0.87 -0.45 -0.60 2.96 5.03 -0.97 -2.01 116.97 121.79 3dks h TYR 178 Ca 0.17 -0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.53 3dks h TYR 178 Cb 0.45 0.15 -0.05 0.00 1.55 0.00 0.00 36.73 38.83 3dks h TYR 178 CO 0.03 -0.19 0.32 0.00 -1.32 0.00 0.00 178.16 177.01 3dks h ALA 179 N -0.09 0.79 -0.98 1.82 0.00 -0.99 -2.10 119.26 117.71 3dks h ALA 179 Ca -0.05 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.92 3dks h ALA 179 Cb 0.47 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 3dks h ALA 179 CO 0.08 -0.01 0.64 -0.44 0.00 0.00 0.00 179.25 179.52 3dks h ASP 180 N 0.60 1.05 -0.45 0.00 3.32 -1.00 -1.75 116.42 118.19 3dks h ASP 180 Ca 0.27 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.25 3dks h ASP 180 Cb 0.17 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 3dks h ASP 180 CO -0.18 0.70 0.05 0.74 -1.72 0.00 0.00 179.24 178.84 3dks h THR 181 N 1.21 1.25 -0.37 0.35 2.02 -0.73 -0.60 112.91 116.04 3dks h THR 181 Ca 0.40 -0.94 0.03 0.00 0.77 0.00 0.00 66.41 66.66 3dks h THR 181 Cb 0.05 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 3dks h THR 181 CO -0.13 0.33 0.18 0.58 0.37 0.00 0.00 175.52 176.85 3dks h VAL 182 N 0.62 0.98 -0.04 3.16 2.07 -1.04 -0.69 116.25 121.30 3dks h VAL 182 Ca 0.13 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.54 3dks h VAL 182 Cb 0.42 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3dks h VAL 182 CO 0.01 0.07 -0.03 0.50 0.02 0.00 0.00 177.57 178.14 3dks h LYS 183 N 0.37 -0.03 -0.44 1.57 3.64 -1.15 -0.86 116.57 119.68 3dks h LYS 183 Ca 0.16 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.61 3dks h LYS 183 Cb 0.07 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.83 3dks h LYS 183 CO -0.11 -0.02 0.07 -0.92 -2.27 0.00 0.00 179.45 176.20 3dks h TYR 184 N -0.03 0.11 -0.42 1.91 3.20 -0.88 -1.54 116.97 119.31 3dks h TYR 184 Ca 0.03 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.84 3dks h TYR 184 Cb 0.08 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 3dks h TYR 184 CO -0.13 -0.01 -0.11 -0.07 -1.64 0.00 0.00 178.16 176.20 3dks h LEU 185 N 0.20 0.73 0.00 2.82 3.38 -0.85 -3.06 115.31 118.53 3dks h LEU 185 Ca 0.22 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dks h LEU 185 Cb 0.28 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3dks h LEU 185 CO -0.30 0.87 -0.01 -1.54 0.09 0.00 0.00 178.44 177.55 3dks n SER 186 N -4.17 0.75 -0.79 -0.43 3.41 -0.35 -4.97 113.62 107.07 3dks n SER 186 Ca 0.01 0.56 0.10 0.00 -0.26 0.00 0.00 58.87 59.28 3dks n SER 186 Cb 0.36 -0.75 0.08 0.00 -0.26 0.00 0.00 64.21 63.64 3dks n SER 186 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26