#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qob s THR 2 N 0.00 0.22 0.10 0.00 2.01 -1.26 -2.02 115.64 114.68 1qob s THR 2 Ca 0.00 0.13 0.04 0.00 0.31 0.00 0.00 61.69 62.17 1qob s THR 2 Cb 0.00 -0.35 -0.04 0.00 0.01 0.00 0.00 72.50 72.12 1qob s THR 2 CO 0.00 0.19 0.05 -0.36 -0.69 0.00 0.00 174.62 173.81 1qob s PHE 3 N 1.44 3.08 -0.16 4.92 0.08 0.70 -4.88 117.98 123.17 1qob s PHE 3 Ca -0.04 0.01 -0.18 0.00 0.12 0.00 0.00 56.93 56.85 1qob s PHE 3 Cb -0.13 -1.56 -0.04 0.00 -0.57 0.00 0.00 43.02 40.72 1qob s PHE 3 CO -0.03 0.50 0.47 0.21 -0.10 0.00 0.00 175.22 176.28 1qob s LYS 4 N -2.46 4.27 -0.13 0.44 2.20 -1.26 0.62 119.74 123.42 1qob s LYS 4 Ca 0.28 0.38 0.01 0.00 -0.36 0.00 0.00 55.97 56.28 1qob s LYS 4 Cb -0.12 -3.49 0.02 0.00 -1.51 0.00 0.00 37.83 32.73 1qob s LYS 4 CO 0.20 0.04 -0.14 0.08 -0.36 0.00 0.00 175.35 175.17 1qob s VAL 5 N 1.03 1.49 -0.27 4.02 1.01 0.17 -0.98 120.40 126.86 1qob s VAL 5 Ca 0.24 -0.60 -0.09 0.00 0.00 0.00 0.00 61.98 61.52 1qob s VAL 5 Cb -0.15 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 1qob s VAL 5 CO 0.09 0.44 0.14 -0.89 0.00 0.00 0.00 175.10 174.89 1qob s THR 6 N 1.30 4.88 -0.33 3.92 2.01 -0.07 -0.28 115.64 127.07 1qob s THR 6 Ca 0.00 0.02 -0.12 0.00 0.31 0.00 0.00 61.69 61.89 1qob s THR 6 Cb -0.14 -3.31 -0.02 0.00 0.01 0.00 0.00 72.50 69.04 1qob s THR 6 CO -0.07 0.28 0.23 -0.76 -0.69 0.00 0.00 174.62 173.61 1qob s LEU 7 N 1.70 4.41 -0.18 4.42 1.43 0.90 -0.58 118.68 130.78 1qob s LEU 7 Ca 0.07 -0.35 -0.01 0.00 -1.03 0.00 0.00 54.13 52.81 1qob s LEU 7 Cb -0.16 -2.13 -0.01 0.00 0.03 0.00 0.00 46.19 43.93 1qob s LEU 7 CO 0.08 -0.20 -0.11 -0.63 0.23 0.00 0.00 176.35 175.72 1qob s ILE 8 N 1.73 2.99 -0.60 -0.59 1.01 0.63 -0.93 121.20 125.44 1qob s ILE 8 Ca 0.06 -0.65 -0.07 0.00 0.00 0.00 0.00 60.65 59.99 1qob s ILE 8 Cb -0.17 -2.30 0.16 0.00 0.01 0.00 0.00 42.46 40.15 1qob s ILE 8 CO 0.10 0.49 0.46 0.21 0.00 0.00 0.00 174.94 176.20 1qob s ASN 9 N 0.99 5.71 0.20 3.58 2.47 -0.37 -1.29 114.94 126.22 1qob s ASN 9 Ca -0.01 -2.44 -0.10 0.00 0.42 0.00 0.00 52.86 50.72 1qob s ASN 9 Cb -0.15 -1.98 0.26 0.00 -1.45 0.00 0.00 41.25 37.93 1qob s ASN 9 CO -0.01 -0.53 1.74 -0.33 -3.72 0.00 0.00 177.10 174.25 1qob h GLU 10 N 7.74 0.38 -0.60 0.43 5.08 -1.84 0.65 114.58 126.42 1qob h GLU 10 Ca -0.07 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1qob h GLU 10 Cb 1.02 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.15 1qob h GLU 10 CO 0.77 0.25 0.38 0.00 -1.00 0.00 0.00 179.01 179.41 1qob h ALA 11 N 1.41 0.76 -0.00 3.43 0.00 -1.93 -2.85 119.26 120.07 1qob h ALA 11 Ca 0.29 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1qob h ALA 11 Cb 0.36 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1qob h ALA 11 CO -0.30 0.22 -0.50 0.39 0.00 0.00 0.00 179.25 179.06 1qob n GLU 12 N -4.64 0.11 -3.45 0.00 -0.58 -1.06 -4.97 120.64 106.05 1qob n GLU 12 Ca 0.04 -0.06 -0.18 0.00 -0.42 0.00 0.00 57.16 56.54 1qob n GLU 12 Cb 0.04 -1.50 0.09 0.00 -0.57 0.00 0.00 31.44 29.50 1qob n GLU 12 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qob n GLY 13 N 1.48 -0.38 3.48 0.62 0.00 0.22 -5.02 105.19 105.59 1qob n GLY 13 Ca 0.06 0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 1qob n GLY 13 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qob s THR 14 N -3.36 2.59 -0.07 2.61 -4.23 -0.72 -4.98 115.64 107.48 1qob s THR 14 Ca 0.06 -2.11 -0.03 0.00 -1.18 0.00 0.00 61.69 58.43 1qob s THR 14 Cb -0.03 -2.30 0.04 0.00 1.34 0.00 0.00 72.50 71.55 1qob s THR 14 CO 0.73 -0.23 0.16 -0.75 -0.54 0.00 0.00 174.62 173.98 1qob s LYS 15 N -3.06 0.11 -0.01 3.99 2.20 -1.26 -1.24 119.74 120.48 1qob s LYS 15 Ca 0.25 0.37 0.04 0.00 -0.36 0.00 0.00 55.97 56.27 1qob s LYS 15 Cb -0.07 -0.15 -0.01 0.00 -1.51 0.00 0.00 37.83 36.10 1qob s LYS 15 CO 0.13 -0.15 -0.12 -1.01 -0.36 0.00 0.00 175.35 173.84 1qob s HIS 16 N 1.07 1.14 -0.14 4.03 3.76 -0.11 -4.98 115.29 120.07 1qob s HIS 16 Ca -0.08 -0.23 -0.01 0.00 -0.15 0.00 0.00 55.06 54.59 1qob s HIS 16 Cb -0.10 -0.74 -0.02 0.00 1.11 0.00 0.00 32.58 32.83 1qob s HIS 16 CO -0.06 -0.03 -0.11 -2.00 -0.85 0.00 0.00 174.74 171.69 1qob s GLU 17 N -0.23 3.42 0.11 1.40 2.12 -1.26 -0.07 118.70 124.19 1qob s GLU 17 Ca 0.04 -0.66 0.03 0.00 0.36 0.00 0.00 54.97 54.73 1qob s GLU 17 Cb -0.06 -2.70 -0.04 0.00 0.26 0.00 0.00 34.13 31.59 1qob s GLU 17 CO -0.00 0.18 -0.08 0.96 -0.54 0.00 0.00 175.26 175.78 1qob s ILE 18 N 0.45 0.83 -0.19 -3.70 -4.36 0.61 -4.98 121.20 109.85 1qob s ILE 18 Ca -0.09 -1.95 -0.04 0.00 -0.26 0.00 0.00 60.65 58.31 1qob s ILE 18 Cb -0.16 -1.70 -0.02 0.00 1.25 0.00 0.00 42.46 41.83 1qob s ILE 18 CO 0.04 -0.83 -0.02 -1.61 0.24 0.00 0.00 174.94 172.77 1qob s GLU 19 N -3.75 3.57 -0.09 0.37 0.41 -1.26 0.42 118.70 118.36 1qob s GLU 19 Ca 0.13 -0.55 0.03 0.00 -0.41 0.00 0.00 54.97 54.17 1qob s GLU 19 Cb 0.04 -3.01 0.01 0.00 -1.78 0.00 0.00 34.13 29.39 1qob s GLU 19 CO -0.03 0.02 -0.18 0.08 -0.49 0.00 0.00 175.26 174.66 1qob s VAL 20 N 0.95 1.65 0.74 2.63 1.01 0.20 -4.91 120.40 122.67 1qob s VAL 20 Ca 0.01 -0.77 -0.15 0.00 0.00 0.00 0.00 61.98 61.07 1qob s VAL 20 Cb -0.14 -1.46 0.05 0.00 0.00 0.00 0.00 36.38 34.83 1qob s VAL 20 CO 0.01 0.47 1.20 -2.84 0.00 0.00 0.00 175.10 173.94 1qob s PRO 21 N 0.57 2.05 0.00 2.72 0.02 -1.26 -0.22 135.00 138.88 1qob s PRO 21 Ca -0.15 1.74 0.17 0.00 0.02 0.00 0.00 61.00 62.78 1qob s PRO 21 Cb -0.17 -1.83 0.86 0.00 0.02 0.00 0.00 34.50 33.39 1qob s PRO 21 CO 0.05 -1.90 1.52 -0.40 -0.33 0.00 0.00 177.00 175.95 1qob n ASP 22 N -2.85 0.00 -0.18 2.53 5.68 -0.86 -2.47 116.55 118.41 1qob n ASP 22 Ca 0.13 0.09 0.10 0.00 -0.50 0.00 0.00 54.79 54.61 1qob n ASP 22 Cb 0.50 -0.31 0.16 0.00 -1.14 0.00 0.00 41.12 40.33 1qob n ASP 22 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1qob n ASP 23 N -1.31 2.55 -4.18 -1.12 5.75 -1.26 -4.75 116.55 112.23 1qob n ASP 23 Ca 0.08 -3.08 -0.26 0.00 -0.01 0.00 0.00 54.79 51.52 1qob n ASP 23 Cb 0.15 -0.45 -0.15 0.00 -1.03 0.00 0.00 41.12 39.64 1qob n ASP 23 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1qob s GLU 24 N -2.87 1.53 0.43 0.11 2.12 -1.03 -5.12 118.70 113.86 1qob s GLU 24 Ca 0.33 -0.65 -0.24 0.00 0.36 0.00 0.00 54.97 54.77 1qob s GLU 24 Cb 0.29 -1.46 -0.08 0.00 0.26 0.00 0.00 34.13 33.14 1qob s GLU 24 CO 0.04 0.38 1.14 0.71 -0.54 0.00 0.00 175.26 176.99 1qob s TYR 25 N -0.38 3.01 0.19 5.30 2.02 -1.26 -4.49 117.35 121.74 1qob s TYR 25 Ca 0.06 1.56 -0.12 0.00 -0.37 0.00 0.00 57.07 58.20 1qob s TYR 25 Cb -0.08 -3.33 0.21 0.00 -0.40 0.00 0.00 41.96 38.37 1qob s TYR 25 CO -0.00 -1.26 1.72 0.82 -1.57 0.00 0.00 175.55 175.25 1qob h ILE 26 N 2.06 0.72 -0.12 2.71 2.04 -1.15 -2.16 117.51 121.60 1qob h ILE 26 Ca -0.49 -0.09 0.04 0.00 1.00 0.00 0.00 64.86 65.33 1qob h ILE 26 Cb 1.24 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 37.71 1qob h ILE 26 CO 0.61 0.05 -0.20 0.25 0.00 0.00 0.00 178.15 178.86 1qob h LEU 27 N 0.26 -0.62 -0.46 1.44 5.85 -1.75 -0.67 115.31 119.35 1qob h LEU 27 Ca 0.26 0.10 0.05 0.00 0.84 0.00 0.00 57.88 59.14 1qob h LEU 27 Cb 0.35 0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 1qob h LEU 27 CO -0.33 -0.25 0.19 0.44 -0.34 0.00 0.00 178.44 178.15 1qob h ASP 28 N -0.26 0.23 -0.52 1.25 3.32 -1.77 -1.92 116.42 116.74 1qob h ASP 28 Ca 0.10 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 1qob h ASP 28 Cb 0.40 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 1qob h ASP 28 CO -0.27 0.17 0.32 0.00 -1.72 0.00 0.00 179.24 177.74 1qob h ALA 29 N 1.28 0.66 -0.45 3.45 0.00 -0.98 -0.58 119.26 122.64 1qob h ALA 29 Ca 0.21 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.14 1qob h ALA 29 Cb 0.18 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 1qob h ALA 29 CO -0.19 0.13 0.08 0.00 0.00 0.00 0.00 179.25 179.27 1qob h ALA 30 N 1.16 0.49 -0.51 0.00 0.00 -0.69 0.85 119.26 120.55 1qob h ALA 30 Ca 0.19 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1qob h ALA 30 Cb -0.03 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1qob h ALA 30 CO -0.04 -0.32 0.21 0.93 0.00 0.00 0.00 179.25 180.03 1qob h GLU 31 N 0.21 0.77 -0.47 0.00 5.08 -1.01 0.14 114.58 119.30 1qob h GLU 31 Ca 0.22 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1qob h GLU 31 Cb 0.29 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1qob h GLU 31 CO -0.30 0.67 0.25 0.93 -1.00 0.00 0.00 179.01 179.56 1qob h GLU 32 N 0.69 0.64 -0.07 2.33 5.08 -0.50 -0.52 114.58 122.23 1qob h GLU 32 Ca 0.17 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1qob h GLU 32 Cb 0.19 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1qob h GLU 32 CO -0.01 0.48 0.00 1.04 -1.00 0.00 0.00 179.01 179.51 1qob n GLN 33 N -4.41 1.31 -0.16 2.33 6.02 0.24 -4.90 117.38 117.81 1qob n GLN 33 Ca 0.04 -0.46 0.00 0.00 -0.01 0.00 0.00 57.00 56.56 1qob n GLN 33 Cb 0.10 -1.34 0.00 0.00 1.02 0.00 0.00 30.24 30.02 1qob n GLN 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qob n GLY 34 N 0.94 0.91 3.05 1.08 0.00 -0.20 -5.05 105.19 105.92 1qob n GLY 34 Ca 0.15 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1qob n GLY 34 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qob s TYR 35 N -2.00 3.29 0.14 1.61 2.02 0.42 -4.99 117.35 117.84 1qob s TYR 35 Ca 0.00 -2.41 -0.30 0.00 -0.37 0.00 0.00 57.07 53.99 1qob s TYR 35 Cb 0.00 -2.09 -0.07 0.00 -0.40 0.00 0.00 41.96 39.41 1qob s TYR 35 CO 0.00 -0.89 1.05 -0.51 -1.57 0.00 0.00 175.55 173.64 1qob s ASP 36 N 1.09 7.34 0.16 2.29 1.01 -1.26 -3.04 116.67 124.25 1qob s ASP 36 Ca -0.05 1.96 0.07 0.00 0.71 0.00 0.00 52.55 55.25 1qob s ASP 36 Cb -0.20 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.10 1qob s ASP 36 CO -0.06 -0.18 -0.15 -0.76 0.21 0.00 0.00 175.17 174.23 1qob s LEU 37 N -0.10 2.46 0.42 1.23 1.43 -1.26 -5.05 118.68 117.82 1qob s LEU 37 Ca 0.49 -0.89 -0.25 0.00 -1.03 0.00 0.00 54.13 52.45 1qob s LEU 37 Cb -0.27 -0.67 -0.08 0.00 0.03 0.00 0.00 46.19 45.20 1qob s LEU 37 CO 0.32 -0.12 1.27 -2.16 0.23 0.00 0.00 176.35 175.89 1qob s PRO 38 N -3.02 3.88 0.11 1.29 0.04 -1.26 -5.03 135.00 131.01 1qob s PRO 38 Ca 0.15 2.07 -0.26 0.00 0.04 0.00 0.00 61.00 63.00 1qob s PRO 38 Cb -0.04 -2.66 0.07 0.00 0.04 0.00 0.00 34.50 31.92 1qob s PRO 38 CO 0.05 -0.53 0.84 -0.59 0.04 0.00 0.00 177.00 176.80 1qob s PHE 39 N -1.32 -0.30 0.00 0.56 -0.71 -1.26 -3.87 117.98 111.08 1qob s PHE 39 Ca 0.59 0.06 0.00 0.00 -1.04 0.00 0.00 56.93 56.54 1qob s PHE 39 Cb -0.36 0.59 0.00 0.00 -1.21 0.00 0.00 43.02 42.04 1qob s PHE 39 CO 0.45 -0.77 0.00 0.45 -1.34 0.00 0.00 175.22 174.02 1qob n SER 40 N -0.36 0.00 0.04 1.98 2.88 -1.26 -4.93 113.62 111.96 1qob n SER 40 Ca -0.09 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.41 1qob n SER 40 Cb 0.62 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 64.26 1qob n SER 40 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qob n ARG 42 N -4.07 -1.68 -0.10 0.00 1.74 -1.26 -4.82 116.66 106.46 1qob n ARG 42 Ca -0.01 1.02 0.00 0.00 -0.77 0.00 0.00 57.85 58.09 1qob n ARG 42 Cb 0.46 -5.67 0.00 0.00 -1.02 0.00 0.00 32.46 26.22 1qob n ARG 42 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qob n ALA 43 N -1.88 1.26 -1.21 7.54 0.00 -1.26 -4.93 120.51 120.02 1qob n ALA 43 Ca -0.25 -0.65 -0.04 0.00 0.00 0.00 0.00 53.44 52.50 1qob n ALA 43 Cb 0.69 -0.10 -0.02 0.00 0.00 0.00 0.00 19.45 20.02 1qob n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qob n GLY 44 N -0.04 0.67 0.35 0.00 0.00 -1.26 -4.81 105.19 100.10 1qob n GLY 44 Ca 0.00 -0.86 0.08 0.00 0.00 0.00 0.00 46.02 45.24 1qob n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qob n ALA 45 N 0.87 2.80 -3.25 4.61 0.00 -1.26 -0.57 120.51 123.71 1qob n ALA 45 Ca -0.04 -2.81 -0.03 0.00 0.00 0.00 0.00 53.44 50.56 1qob n ALA 45 Cb 0.18 -0.39 -0.01 0.00 0.00 0.00 0.00 19.45 19.24 1qob n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qob n SER 47 N -1.93 1.60 -0.37 0.00 3.41 -1.26 -4.77 113.62 110.31 1qob n SER 47 Ca -0.00 -1.57 0.05 0.00 -0.26 0.00 0.00 58.87 57.09 1qob n SER 47 Cb 0.14 -0.01 0.20 0.00 -0.26 0.00 0.00 64.21 64.29 1qob n SER 47 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1qob h THR 48 N 0.09 1.02 -0.36 6.66 2.02 -1.95 -2.54 112.91 117.84 1qob h THR 48 Ca 0.00 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1qob h THR 48 Cb 0.29 -0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.52 1qob h THR 48 CO 0.00 0.20 0.00 0.00 0.37 0.00 0.00 175.52 176.09 1qob s ALA 50 N -1.70 3.46 0.22 0.00 0.00 -0.96 -2.69 121.76 120.09 1qob s ALA 50 Ca 0.28 1.54 0.01 0.00 0.00 0.00 0.00 51.96 53.79 1qob s ALA 50 Cb 0.18 -3.60 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 1qob s ALA 50 CO 0.14 -1.10 0.07 0.20 0.00 0.00 0.00 175.76 175.07 1qob s GLY 51 N -0.27 1.50 -0.11 0.00 0.00 0.20 -1.66 107.32 106.99 1qob s GLY 51 Ca 0.55 -1.74 0.01 0.00 0.00 0.00 0.00 44.72 43.54 1qob s GLY 51 CO 0.61 -1.54 -0.11 1.25 0.00 0.00 0.00 173.10 173.31 1qob s LYS 52 N -4.01 1.85 0.19 2.90 2.20 0.11 -0.67 119.74 122.30 1qob s LYS 52 Ca 0.33 -0.40 -0.31 0.00 -0.36 0.00 0.00 55.97 55.23 1qob s LYS 52 Cb 0.07 -1.73 -0.10 0.00 -1.51 0.00 0.00 37.83 34.57 1qob s LYS 52 CO 0.10 -0.17 1.47 -0.51 -0.36 0.00 0.00 175.35 175.88 1qob s LEU 53 N 1.36 4.38 -0.24 5.43 1.43 0.08 -0.58 118.68 130.53 1qob s LEU 53 Ca -0.00 2.56 -0.12 0.00 -1.03 0.00 0.00 54.13 55.54 1qob s LEU 53 Cb -0.14 -3.60 -0.16 0.00 0.03 0.00 0.00 46.19 42.32 1qob s LEU 53 CO -0.06 -0.73 -0.11 0.52 0.23 0.00 0.00 176.35 176.21 1qob n VAL 54 N 3.33 1.55 -3.56 -1.59 0.31 0.13 -4.91 118.33 113.59 1qob n VAL 54 Ca 0.10 -0.36 -0.13 0.00 -0.01 0.00 0.00 64.34 63.94 1qob n VAL 54 Cb 0.40 -1.82 -0.05 0.00 -0.91 0.00 0.00 33.84 31.46 1qob n VAL 54 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1qob s SER 55 N -7.11 -0.44 0.00 4.52 1.04 -1.07 -4.97 113.70 105.68 1qob s SER 55 Ca -0.34 0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.19 1qob s SER 55 Cb 0.11 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1qob s SER 55 CO 0.57 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.63 1qob n GLY 56 N 0.23 -3.71 3.30 7.32 0.00 -1.26 -0.22 105.19 110.86 1qob n GLY 56 Ca -0.18 -1.97 -0.16 0.00 0.00 0.00 0.00 46.02 43.71 1qob n GLY 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qob s THR 57 N -0.91 0.64 0.14 2.61 -4.23 -1.26 -4.95 115.64 107.68 1qob s THR 57 Ca 0.00 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.40 1qob s THR 57 Cb 0.00 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.35 1qob s THR 57 CO 0.00 -0.14 0.30 0.68 -0.54 0.00 0.00 174.62 174.91 1qob s VAL 58 N -3.69 0.09 -0.36 2.29 -7.23 -1.26 -1.84 120.40 108.39 1qob s VAL 58 Ca 0.34 -1.14 -0.04 0.00 -1.81 0.00 0.00 61.98 59.32 1qob s VAL 58 Cb 0.07 -1.56 0.07 0.00 0.56 0.00 0.00 36.38 35.52 1qob s VAL 58 CO 0.11 -0.39 0.13 -0.62 -0.31 0.00 0.00 175.10 174.01 1qob s ASP 59 N -2.90 5.21 -0.21 4.85 2.15 0.14 -4.84 116.67 121.06 1qob s ASP 59 Ca 0.10 -1.53 0.11 0.00 0.43 0.00 0.00 52.55 51.67 1qob s ASP 59 Cb 0.03 -1.82 0.43 0.00 -0.30 0.00 0.00 42.92 41.26 1qob s ASP 59 CO -0.05 -0.41 1.21 0.00 -0.17 0.00 0.00 175.17 175.75 1qob n GLN 60 N 4.69 1.84 0.16 4.34 10.64 -1.26 -0.94 117.38 136.85 1qob n GLN 60 Ca -0.09 -3.39 0.18 0.00 -1.83 0.00 0.00 57.00 51.87 1qob n GLN 60 Cb 0.43 -1.66 0.73 0.00 -0.86 0.00 0.00 30.24 28.88 1qob n GLN 60 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1qob h SER 61 N 1.19 0.00 1.10 2.61 4.64 -1.92 0.72 113.55 121.88 1qob h SER 61 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1qob h SER 61 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1qob h SER 61 CO 0.12 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.37 1qob n LYS 62 N -3.39 0.13 -2.18 4.77 5.02 -1.26 -4.88 118.16 116.37 1qob n LYS 62 Ca 0.05 0.18 -0.36 0.00 -2.02 0.00 0.00 58.31 56.16 1qob n LYS 62 Cb 0.60 -1.68 0.01 0.00 -0.02 0.00 0.00 35.03 33.94 1qob n LYS 62 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1qob s GLN 63 N -3.09 3.29 0.00 1.97 1.03 0.24 -4.82 119.66 118.29 1qob s GLN 63 Ca 0.10 1.71 0.00 0.00 0.04 0.00 0.00 55.36 57.22 1qob s GLN 63 Cb 0.14 -2.04 0.00 0.00 0.03 0.00 0.00 33.01 31.14 1qob s GLN 63 CO 0.51 -0.92 0.00 -1.13 -2.54 0.00 0.00 175.29 171.20 1qob n SER 64 N -1.28 0.42 -0.01 12.60 3.41 0.26 -4.91 113.62 124.11 1qob n SER 64 Ca 0.12 -0.10 -0.16 0.00 -0.26 0.00 0.00 58.87 58.47 1qob n SER 64 Cb 0.50 0.28 -0.11 0.00 -0.26 0.00 0.00 64.21 64.61 1qob n SER 64 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1qob h PHE 65 N 0.00 0.41 -3.96 7.33 3.57 -1.79 -3.47 116.94 119.03 1qob h PHE 65 Ca 0.00 -0.22 -0.47 0.00 3.53 0.00 0.00 57.97 60.80 1qob h PHE 65 Cb 0.00 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.70 1qob h PHE 65 CO 0.00 1.04 0.38 -0.51 -2.23 0.00 0.00 178.31 176.99 1qob s LEU 66 N -8.41 4.16 0.70 0.59 1.43 -1.26 -5.03 118.68 110.85 1qob s LEU 66 Ca -0.15 1.93 -0.01 0.00 -1.03 0.00 0.00 54.13 54.88 1qob s LEU 66 Cb 0.02 -4.20 0.11 0.00 0.03 0.00 0.00 46.19 42.15 1qob s LEU 66 CO 0.78 -0.37 0.96 1.51 0.23 0.00 0.00 176.35 179.46 1qob s ASP 67 N -1.68 4.50 0.27 2.29 1.47 -1.26 -4.92 116.67 117.34 1qob s ASP 67 Ca 0.57 -0.27 -0.02 0.00 1.18 0.00 0.00 52.55 54.01 1qob s ASP 67 Cb -0.19 -0.20 0.42 0.00 -0.34 0.00 0.00 42.92 42.61 1qob s ASP 67 CO 0.24 -1.75 1.87 0.44 0.68 0.00 0.00 175.17 176.66 1qob h ASP 68 N -0.45 1.01 0.03 2.11 3.32 -1.99 -2.23 116.42 118.22 1qob h ASP 68 Ca -0.38 0.02 -0.11 0.00 0.02 0.00 0.00 57.03 56.58 1qob h ASP 68 Cb 1.27 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 1qob h ASP 68 CO 0.43 0.63 -0.35 0.44 -1.72 0.00 0.00 179.24 178.66 1qob h ASP 69 N 1.13 0.46 0.39 6.45 3.32 -1.98 0.19 116.42 126.38 1qob h ASP 69 Ca 0.44 -0.18 -0.17 0.00 0.02 0.00 0.00 57.03 57.14 1qob h ASP 69 Cb 0.22 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1qob h ASP 69 CO -0.19 0.78 -0.71 1.56 -1.72 0.00 0.00 179.24 178.96 1qob h GLN 70 N 0.38 0.28 -0.09 3.56 4.20 -1.80 -2.04 115.11 119.59 1qob h GLN 70 Ca 0.04 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.49 1qob h GLN 70 Cb 0.80 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.63 1qob h GLN 70 CO 0.06 0.88 -0.07 0.82 -0.67 0.00 0.00 178.83 179.85 1qob h ILE 71 N 0.19 1.34 -0.55 2.54 2.04 -1.25 -2.34 117.51 119.49 1qob h ILE 71 Ca -0.02 -1.16 0.06 0.00 1.00 0.00 0.00 64.86 64.73 1qob h ILE 71 Cb 1.27 1.91 -0.03 0.00 -0.74 0.00 0.00 36.82 39.24 1qob h ILE 71 CO 0.11 0.33 0.36 -0.33 0.00 0.00 0.00 178.15 178.63 1qob h GLU 72 N -0.18 0.48 0.00 2.37 5.08 -0.89 0.25 114.58 121.68 1qob h GLU 72 Ca 0.02 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1qob h GLU 72 Cb 0.56 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1qob h GLU 72 CO 0.02 0.31 0.00 0.00 -1.00 0.00 0.00 179.01 178.34 1qob n ALA 73 N -2.50 2.17 -0.15 3.43 0.00 -0.77 -4.87 120.51 117.82 1qob n ALA 73 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1qob n ALA 73 Cb 0.25 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1qob n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qob n GLY 74 N 0.36 0.64 3.77 0.00 0.00 0.86 -4.88 105.19 105.94 1qob n GLY 74 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1qob n GLY 74 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qob s TYR 75 N -2.24 3.44 0.01 1.61 2.02 -0.90 -0.74 117.35 120.55 1qob s TYR 75 Ca 0.00 1.68 0.01 0.00 -0.37 0.00 0.00 57.07 58.40 1qob s TYR 75 Cb 0.00 -3.19 -0.01 0.00 -0.40 0.00 0.00 41.96 38.36 1qob s TYR 75 CO 0.00 -0.54 -0.05 0.08 -1.57 0.00 0.00 175.55 173.47 1qob s VAL 76 N -1.42 0.34 -0.54 0.71 1.01 0.15 -4.55 120.40 116.10 1qob s VAL 76 Ca 0.51 -0.50 -0.19 0.00 0.00 0.00 0.00 61.98 61.81 1qob s VAL 76 Cb -0.27 -0.35 0.08 0.00 0.00 0.00 0.00 36.38 35.84 1qob s VAL 76 CO 0.34 -0.11 0.64 -0.76 0.00 0.00 0.00 175.10 175.21 1qob s LEU 77 N -0.65 5.24 0.57 3.92 1.43 -1.26 -0.62 118.68 127.29 1qob s LEU 77 Ca -0.04 -1.20 0.25 0.00 -1.03 0.00 0.00 54.13 52.12 1qob s LEU 77 Cb -0.05 -2.36 1.61 0.00 0.03 0.00 0.00 46.19 45.42 1qob s LEU 77 CO -0.00 -0.98 2.18 0.71 0.23 0.00 0.00 176.35 178.49 1qob h THR 78 N 5.88 0.66 0.00 5.49 1.35 -1.87 -2.70 112.91 121.72 1qob h THR 78 Ca -0.29 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1qob h THR 78 Cb 1.09 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 1qob h THR 78 CO 1.02 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.29 1qob n VAL 80 N -2.84 0.87 -4.32 0.00 0.24 -1.03 -4.83 118.33 106.42 1qob n VAL 80 Ca 0.00 -1.52 -0.34 0.00 -2.04 0.00 0.00 64.34 60.45 1qob n VAL 80 Cb 0.25 0.35 -0.13 0.00 -1.47 0.00 0.00 33.84 32.84 1qob n VAL 80 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1qob s ALA 81 N -1.30 2.95 -0.16 2.33 0.00 -1.13 -4.38 121.76 120.06 1qob s ALA 81 Ca 0.26 -0.90 -0.07 0.00 0.00 0.00 0.00 51.96 51.25 1qob s ALA 81 Cb 0.27 -1.58 -0.04 0.00 0.00 0.00 0.00 23.12 21.76 1qob s ALA 81 CO -0.07 0.07 0.09 0.71 0.00 0.00 0.00 175.76 176.57 1qob s TYR 82 N 0.61 3.36 0.42 0.00 2.02 -0.12 -1.00 117.35 122.64 1qob s TYR 82 Ca -0.03 0.25 -0.24 0.00 -0.37 0.00 0.00 57.07 56.68 1qob s TYR 82 Cb -0.14 -2.04 -0.08 0.00 -0.40 0.00 0.00 41.96 39.29 1qob s TYR 82 CO 0.02 0.35 1.14 -1.25 -1.57 0.00 0.00 175.55 174.24 1qob s PRO 83 N -0.06 3.99 0.00 -1.71 0.04 -1.26 0.29 135.00 136.29 1qob s PRO 83 Ca 0.08 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.86 1qob s PRO 83 Cb -0.12 -2.56 0.00 0.00 0.04 0.00 0.00 34.50 31.86 1qob s PRO 83 CO 0.01 -0.34 0.85 0.25 0.04 0.00 0.00 177.00 177.80 1qob n THR 84 N -0.13 0.72 -3.83 1.26 -2.24 -0.77 -4.73 114.28 104.57 1qob n THR 84 Ca 0.05 -0.81 -0.02 0.00 -2.27 0.00 0.00 64.05 61.00 1qob n THR 84 Cb 0.48 0.66 0.02 0.00 -2.10 0.00 0.00 70.33 69.39 1qob n THR 84 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1qob n SER 85 N -0.36 -1.41 -4.77 3.42 3.41 -1.24 -4.87 113.62 107.80 1qob n SER 85 Ca 0.00 -1.71 -0.38 0.00 -0.26 0.00 0.00 58.87 56.51 1qob n SER 85 Cb 0.22 2.28 -0.04 0.00 -0.26 0.00 0.00 64.21 66.42 1qob n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1qob s ASP 86 N -3.05 6.88 0.04 4.04 1.01 -1.26 -4.66 116.67 119.67 1qob s ASP 86 Ca 0.19 2.21 0.03 0.00 0.71 0.00 0.00 52.55 55.69 1qob s ASP 86 Cb -0.02 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.28 1qob s ASP 86 CO 0.04 -0.42 -0.09 -0.69 0.21 0.00 0.00 175.17 174.23 1qob s VAL 87 N -1.41 0.65 -0.17 -1.27 1.01 -0.16 -4.04 120.40 115.02 1qob s VAL 87 Ca 0.53 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1qob s VAL 87 Cb -0.28 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.45 1qob s VAL 87 CO 0.36 -0.24 -0.20 -0.69 0.00 0.00 0.00 175.10 174.33 1qob s VAL 88 N -1.11 2.13 0.01 2.92 1.01 0.69 -0.89 120.40 125.16 1qob s VAL 88 Ca -0.06 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.00 1qob s VAL 88 Cb -0.08 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 1qob s VAL 88 CO 0.01 0.54 -0.03 -0.51 0.00 0.00 0.00 175.10 175.10 1qob s ILE 89 N 1.16 0.21 -0.16 2.22 2.07 0.25 0.17 121.20 127.13 1qob s ILE 89 Ca 0.02 -0.32 -0.18 0.00 -1.41 0.00 0.00 60.65 58.75 1qob s ILE 89 Cb -0.14 -0.23 -0.04 0.00 0.13 0.00 0.00 42.46 42.19 1qob s ILE 89 CO -0.09 -0.07 0.48 -1.10 -1.91 0.00 0.00 174.94 172.24 1qob s GLN 90 N -0.42 4.26 0.55 3.50 -0.21 0.26 -0.27 119.66 127.32 1qob s GLN 90 Ca -0.03 0.40 0.05 0.00 0.02 0.00 0.00 55.36 55.81 1qob s GLN 90 Cb -0.03 -3.50 0.06 0.00 1.00 0.00 0.00 33.01 30.54 1qob s GLN 90 CO -0.00 0.02 0.76 0.95 -2.12 0.00 0.00 175.29 174.90 1qob s THR 91 N 1.08 2.51 -1.32 -0.19 -4.23 -0.41 0.06 115.64 113.14 1qob s THR 91 Ca 0.24 -0.85 -0.01 0.00 -1.18 0.00 0.00 61.69 59.88 1qob s THR 91 Cb -0.15 -2.66 0.01 0.00 1.34 0.00 0.00 72.50 71.04 1qob s THR 91 CO 0.10 0.00 0.76 1.41 -0.54 0.00 0.00 174.62 176.35 1qob n HIS 92 N -2.26 -1.99 -0.41 3.99 8.25 -1.20 -4.71 115.22 116.89 1qob n HIS 92 Ca 0.12 0.86 0.10 0.00 -0.26 0.00 0.00 57.72 58.54 1qob n HIS 92 Cb 0.60 -4.44 0.30 0.00 1.12 0.00 0.00 29.99 27.57 1qob n HIS 92 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1qob n LYS 93 N -4.31 2.98 -0.19 -0.41 4.76 -0.66 -4.67 118.16 115.66 1qob n LYS 93 Ca -0.26 -2.62 -0.00 0.00 -2.87 0.00 0.00 58.31 52.55 1qob n LYS 93 Cb 0.66 -1.60 0.09 0.00 -1.84 0.00 0.00 35.03 32.34 1qob n LYS 93 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1qob h GLU 94 N 3.84 0.13 0.00 1.97 4.81 -1.79 -1.46 114.58 122.08 1qob h GLU 94 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1qob h GLU 94 Cb 1.06 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.41 1qob h GLU 94 CO 0.06 0.09 0.19 0.93 -0.73 0.00 0.00 179.01 179.55 1qob h GLU 95 N 0.13 0.00 0.00 1.92 5.08 -1.92 -2.03 114.58 117.76 1qob h GLU 95 Ca 0.30 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1qob h GLU 95 Cb 0.47 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1qob h GLU 95 CO -0.48 0.00 -0.00 -0.44 -1.00 0.00 0.00 179.01 177.09 1qob h ASP 96 N 0.00 0.00 0.02 1.42 5.19 -1.62 -3.22 116.42 118.20 1qob h ASP 96 Ca 0.00 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.23 1qob h ASP 96 Cb 0.39 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.90 1qob h ASP 96 CO 0.00 0.00 -0.62 -0.07 -3.12 0.00 0.00 179.24 175.43 1qob h LEU 97 N 0.00 0.68 -1.68 1.55 3.38 -1.53 -3.54 115.31 114.16 1qob h LEU 97 Ca -0.00 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1qob h LEU 97 Cb 0.61 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1qob h LEU 97 CO 0.00 1.13 0.00 -1.22 0.09 0.00 0.00 178.44 178.44