#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 1.29 0.09 0.00 2.01 -1.26 -1.09 115.64 116.67 1qob s THR 2 Ca 0.00 -0.50 0.04 0.00 0.31 0.00 0.00 61.69 61.54 1qob s THR 2 Cb 0.00 -1.21 -0.04 0.00 0.01 0.00 0.00 72.50 71.26 1qob s THR 2 CO 0.00 0.40 0.04 -0.36 -0.69 0.00 0.00 174.62 174.01 1qob s PHE 3 N 1.19 3.09 -0.22 4.92 0.08 0.11 -4.87 117.98 122.28 1qob s PHE 3 Ca -0.03 0.02 -0.22 0.00 0.12 0.00 0.00 56.93 56.82 1qob s PHE 3 Cb -0.14 -1.58 -0.02 0.00 -0.57 0.00 0.00 43.02 40.72 1qob s PHE 3 CO -0.04 0.50 0.71 0.21 -0.10 0.00 0.00 175.22 176.51 1qob s LYS 4 N -2.36 4.18 -0.18 0.44 2.20 -1.26 -0.09 119.74 122.67 1qob s LYS 4 Ca 0.28 0.74 -0.01 0.00 -0.36 0.00 0.00 55.97 56.62 1qob s LYS 4 Cb -0.12 -3.62 0.00 0.00 -1.51 0.00 0.00 37.83 32.59 1qob s LYS 4 CO 0.20 -0.38 -0.14 0.08 -0.36 0.00 0.00 175.35 174.75 1qob s VAL 5 N 2.39 2.64 -0.27 4.02 1.01 -0.77 -0.33 120.40 129.08 1qob s VAL 5 Ca 0.31 -0.76 -0.10 0.00 0.00 0.00 0.00 61.98 61.43 1qob s VAL 5 Cb -0.16 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 1qob s VAL 5 CO 0.09 0.50 0.15 -0.89 0.00 0.00 0.00 175.10 174.95 1qob s THR 6 N 1.15 5.02 -0.24 3.92 2.01 0.10 -1.48 115.64 126.12 1qob s THR 6 Ca 0.01 0.07 -0.11 0.00 0.31 0.00 0.00 61.69 61.97 1qob s THR 6 Cb -0.14 -3.38 -0.05 0.00 0.01 0.00 0.00 72.50 68.94 1qob s THR 6 CO -0.05 0.28 0.19 -0.76 -0.69 0.00 0.00 174.62 173.59 1qob s LEU 7 N 1.67 4.11 -0.15 4.42 1.43 0.20 -0.89 118.68 129.46 1qob s LEU 7 Ca 0.07 0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.32 1qob s LEU 7 Cb -0.16 -2.15 0.02 0.00 0.03 0.00 0.00 46.19 43.93 1qob s LEU 7 CO 0.08 0.04 -0.19 -0.63 0.23 0.00 0.00 176.35 175.88 1qob s ILE 8 N 1.17 1.91 -0.62 -0.59 1.01 0.01 -0.80 121.20 123.29 1qob s ILE 8 Ca 0.09 -0.87 -0.11 0.00 0.00 0.00 0.00 60.65 59.76 1qob s ILE 8 Cb -0.14 -1.72 0.16 0.00 0.01 0.00 0.00 42.46 40.77 1qob s ILE 8 CO 0.05 0.52 0.52 0.21 0.00 0.00 0.00 174.94 176.24 1qob s ASN 9 N 1.07 6.03 0.32 3.58 3.84 -0.49 -0.35 114.94 128.94 1qob s ASN 9 Ca -0.02 -2.29 0.02 0.00 0.21 0.00 0.00 52.86 50.78 1qob s ASN 9 Cb -0.14 -2.08 0.60 0.00 -0.55 0.00 0.00 41.25 39.08 1qob s ASN 9 CO -0.06 -0.63 1.93 -0.33 -2.79 0.00 0.00 177.10 175.21 1qob h GLU 10 N 8.08 0.91 -0.12 0.43 5.08 -1.84 0.16 114.58 127.26 1qob h GLU 10 Ca -0.10 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.15 1qob h GLU 10 Cb 1.05 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 1qob h GLU 10 CO 0.84 0.60 -0.15 0.00 -1.00 0.00 0.00 179.01 179.30 1qob h ALA 11 N 1.54 0.18 0.00 3.43 0.00 -1.94 -3.24 119.26 119.24 1qob h ALA 11 Ca 0.36 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1qob h ALA 11 Cb 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1qob h ALA 11 CO -0.13 0.07 0.00 1.49 0.00 0.00 0.00 179.25 180.68 1qob h GLU 12 N -0.08 0.00 -0.61 0.00 4.57 -1.94 -3.47 114.58 113.05 1qob h GLU 12 Ca 0.02 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.10 1qob h GLU 12 Cb 0.69 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.27 1qob h GLU 12 CO 0.04 0.00 -0.12 0.41 -1.18 0.00 0.00 179.01 178.16 1qob n GLY 13 N 0.96 0.25 3.74 1.92 0.00 0.50 -5.04 105.19 107.52 1qob n GLY 13 Ca 0.04 -0.71 -0.25 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.23 4.09 -0.09 2.61 -4.23 -0.93 -4.97 115.64 109.88 1qob s THR 14 Ca 0.00 -1.35 -0.03 0.00 -1.18 0.00 0.00 61.69 59.13 1qob s THR 14 Cb 0.00 -3.11 0.04 0.00 1.34 0.00 0.00 72.50 70.77 1qob s THR 14 CO 0.00 -0.18 0.06 -0.75 -0.54 0.00 0.00 174.62 173.21 1qob s LYS 15 N -3.23 0.06 -0.04 3.99 2.20 -1.26 -1.40 119.74 120.06 1qob s LYS 15 Ca 0.30 0.19 0.06 0.00 -0.36 0.00 0.00 55.97 56.15 1qob s LYS 15 Cb -0.09 -1.01 -0.01 0.00 -1.51 0.00 0.00 37.83 35.21 1qob s LYS 15 CO 0.21 -0.44 -0.22 -1.01 -0.36 0.00 0.00 175.35 173.54 1qob s HIS 16 N 2.13 2.05 -0.14 4.03 3.76 0.02 -4.96 115.29 122.18 1qob s HIS 16 Ca 0.04 -0.52 -0.02 0.00 -0.15 0.00 0.00 55.06 54.41 1qob s HIS 16 Cb -0.13 -1.34 -0.02 0.00 1.11 0.00 0.00 32.58 32.19 1qob s HIS 16 CO -0.05 -0.13 -0.09 -1.21 -0.85 0.00 0.00 174.74 172.41 1qob s GLU 17 N -0.25 3.50 0.22 1.40 2.02 -1.26 0.59 118.70 124.92 1qob s GLU 17 Ca 0.01 -0.61 0.07 0.00 0.02 0.00 0.00 54.97 54.46 1qob s GLU 17 Cb -0.11 -2.76 -0.05 0.00 0.10 0.00 0.00 34.13 31.31 1qob s GLU 17 CO 0.01 0.24 -0.10 0.96 0.02 0.00 0.00 175.26 176.39 1qob s ILE 18 N 0.32 1.57 -0.23 -1.63 -4.36 -0.55 -5.00 121.20 111.32 1qob s ILE 18 Ca -0.07 -2.15 -0.07 0.00 -0.26 0.00 0.00 60.65 58.10 1qob s ILE 18 Cb -0.15 -2.14 -0.03 0.00 1.25 0.00 0.00 42.46 41.39 1qob s ILE 18 CO 0.04 -0.52 0.05 -1.61 0.24 0.00 0.00 174.94 173.14 1qob s GLU 19 N -3.70 3.66 -0.08 0.37 0.41 -1.26 -1.85 118.70 116.25 1qob s GLU 19 Ca 0.24 -0.48 0.04 0.00 -0.41 0.00 0.00 54.97 54.36 1qob s GLU 19 Cb 0.01 -3.24 0.00 0.00 -1.78 0.00 0.00 34.13 29.13 1qob s GLU 19 CO 0.07 -0.09 -0.20 0.08 -0.49 0.00 0.00 175.26 174.63 1qob s VAL 20 N 1.34 1.73 0.50 2.63 1.01 0.87 -4.92 120.40 123.55 1qob s VAL 20 Ca 0.05 -0.84 -0.21 0.00 0.00 0.00 0.00 61.98 60.97 1qob s VAL 20 Cb -0.15 -1.51 -0.07 0.00 0.00 0.00 0.00 36.38 34.66 1qob s VAL 20 CO 0.03 0.49 1.16 -2.84 0.00 0.00 0.00 175.10 173.93 1qob s PRO 21 N 0.34 3.57 0.60 2.72 0.02 -1.26 0.09 135.00 141.07 1qob s PRO 21 Ca -0.14 1.73 0.36 0.00 0.02 0.00 0.00 61.00 62.97 1qob s PRO 21 Cb -0.16 -2.24 1.97 0.00 0.02 0.00 0.00 34.50 34.09 1qob s PRO 21 CO 0.06 -0.70 2.11 0.38 -0.33 0.00 0.00 177.00 178.52 1qob h ASP 22 N 1.68 0.00 -0.29 2.53 3.04 -1.40 -1.35 116.42 120.64 1qob h ASP 22 Ca -0.50 0.00 -0.08 0.00 -3.24 0.00 0.00 57.03 53.21 1qob h ASP 22 Cb 1.26 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 39.50 1qob h ASP 22 CO 0.59 0.00 -0.02 -0.90 -2.04 0.00 0.00 179.24 176.87 1qob n ASP 23 N -2.85 3.21 -4.20 4.15 5.75 -1.26 -4.69 116.55 116.66 1qob n ASP 23 Ca -0.02 -3.34 -0.27 0.00 -0.01 0.00 0.00 54.79 51.15 1qob n ASP 23 Cb 0.15 -0.58 -0.16 0.00 -1.03 0.00 0.00 41.12 39.50 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 -3.01 1.80 0.51 0.11 2.12 -0.51 -5.12 118.70 114.59 1qob s GLU 24 Ca 0.43 -0.71 -0.22 0.00 0.36 0.00 0.00 54.97 54.83 1qob s GLU 24 Cb 0.37 -1.65 -0.06 0.00 0.26 0.00 0.00 34.13 33.04 1qob s GLU 24 CO 0.05 0.38 1.21 0.71 -0.54 0.00 0.00 175.26 177.06 1qob s TYR 25 N -0.29 2.66 0.20 5.30 2.02 -1.26 -4.48 117.35 121.50 1qob s TYR 25 Ca 0.03 1.50 -0.11 0.00 -0.37 0.00 0.00 57.07 58.12 1qob s TYR 25 Cb -0.10 -3.47 0.21 0.00 -0.40 0.00 0.00 41.96 38.21 1qob s TYR 25 CO 0.01 -1.90 1.78 0.82 -1.57 0.00 0.00 175.55 174.69 1qob h ILE 26 N 1.56 0.91 -0.07 2.71 2.04 -1.16 -2.68 117.51 120.82 1qob h ILE 26 Ca -0.50 -0.18 0.03 0.00 1.00 0.00 0.00 64.86 65.21 1qob h ILE 26 Cb 1.27 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 1qob h ILE 26 CO 0.58 0.10 -0.12 0.25 0.00 0.00 0.00 178.15 178.96 1qob h LEU 27 N 0.53 -0.36 -0.64 1.44 5.85 -1.74 -1.86 115.31 118.53 1qob h LEU 27 Ca 0.27 0.06 0.06 0.00 0.84 0.00 0.00 57.88 59.12 1qob h LEU 27 Cb 0.22 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.36 1qob h LEU 27 CO -0.21 -0.16 0.34 0.44 -0.34 0.00 0.00 178.44 178.51 1qob h ASP 28 N -0.17 0.49 -0.69 1.25 5.19 -1.81 -1.74 116.42 118.95 1qob h ASP 28 Ca 0.07 0.04 -0.08 0.00 -0.62 0.00 0.00 57.03 56.44 1qob h ASP 28 Cb 0.26 -0.06 -0.03 0.00 0.18 0.00 0.00 39.33 39.69 1qob h ASP 28 CO -0.17 0.32 0.13 0.00 -3.12 0.00 0.00 179.24 176.41 1qob h ALA 29 N 1.35 0.91 0.31 3.45 0.00 -1.24 -1.92 119.26 122.11 1qob h ALA 29 Ca 0.29 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1qob h ALA 29 Cb 0.20 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1qob h ALA 29 CO -0.19 0.66 -0.15 0.00 0.00 0.00 0.00 179.25 179.57 1qob h ALA 30 N 1.06 -0.42 -0.76 0.00 0.00 -0.93 -0.69 119.26 117.53 1qob h ALA 30 Ca 0.21 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1qob h ALA 30 Cb 0.42 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 1qob h ALA 30 CO 0.01 -0.71 0.47 0.93 0.00 0.00 0.00 179.25 179.95 1qob h GLU 31 N -0.47 0.86 0.00 0.00 5.08 -1.14 0.44 114.58 119.35 1qob h GLU 31 Ca -0.04 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1qob h GLU 31 Cb 0.36 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1qob h GLU 31 CO 0.07 0.57 -0.15 0.93 -1.00 0.00 0.00 179.01 179.42 1qob h GLU 32 N 0.88 0.00 -0.29 2.33 5.08 -1.05 -1.97 114.58 119.56 1qob h GLU 32 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1qob h GLU 32 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1qob h GLU 32 CO -0.14 0.15 0.00 1.04 -1.00 0.00 0.00 179.01 179.06 1qob n GLN 33 N -4.23 1.78 -0.19 2.33 6.02 -0.02 -4.91 117.38 118.16 1qob n GLN 33 Ca -0.02 -1.20 0.00 0.00 -0.01 0.00 0.00 57.00 55.77 1qob n GLN 33 Cb 0.23 -1.31 0.00 0.00 1.02 0.00 0.00 30.24 30.17 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 1.08 0.85 3.17 1.08 0.00 -0.74 -5.04 105.19 105.59 1qob n GLY 34 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.06 3.15 0.11 1.61 2.02 -0.26 -4.98 117.35 116.94 1qob s TYR 35 Ca 0.00 -1.78 -0.29 0.00 -0.37 0.00 0.00 57.07 54.63 1qob s TYR 35 Cb 0.00 -2.05 -0.06 0.00 -0.40 0.00 0.00 41.96 39.45 1qob s TYR 35 CO 0.00 -0.78 0.93 -0.51 -1.57 0.00 0.00 175.55 173.62 1qob s ASP 36 N 1.27 7.46 0.13 2.29 1.01 -1.26 -2.75 116.67 124.82 1qob s ASP 36 Ca -0.03 1.75 0.07 0.00 0.71 0.00 0.00 52.55 55.05 1qob s ASP 36 Cb -0.18 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.14 1qob s ASP 36 CO -0.04 -0.03 -0.16 -0.76 0.21 0.00 0.00 175.17 174.39 1qob s LEU 37 N -0.10 2.39 0.49 1.23 1.43 -1.26 -5.04 118.68 117.81 1qob s LEU 37 Ca 0.45 -0.80 -0.23 0.00 -1.03 0.00 0.00 54.13 52.52 1qob s LEU 37 Cb -0.23 -0.67 -0.07 0.00 0.03 0.00 0.00 46.19 45.26 1qob s LEU 37 CO 0.29 -0.09 1.23 -2.16 0.23 0.00 0.00 176.35 175.86 1qob s PRO 38 N -2.57 3.55 -0.01 1.29 0.04 -1.26 -5.02 135.00 131.03 1qob s PRO 38 Ca 0.10 1.94 -0.29 0.00 0.04 0.00 0.00 61.00 62.79 1qob s PRO 38 Cb -0.06 -2.37 0.10 0.00 0.04 0.00 0.00 34.50 32.22 1qob s PRO 38 CO 0.04 -0.77 0.97 -0.59 0.04 0.00 0.00 177.00 176.70 1qob s PHE 39 N -1.45 -0.26 0.00 0.56 -0.12 -1.26 -3.90 117.98 111.54 1qob s PHE 39 Ca 0.66 0.11 0.00 0.00 -0.05 0.00 0.00 56.93 57.65 1qob s PHE 39 Cb -0.33 0.55 0.00 0.00 -0.63 0.00 0.00 43.02 42.61 1qob s PHE 39 CO 0.40 -0.52 0.00 0.45 -0.05 0.00 0.00 175.22 175.49 1qob n SER 40 N -0.27 0.00 -0.07 1.98 2.88 -1.26 -4.93 113.62 111.95 1qob n SER 40 Ca -0.07 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.41 1qob n SER 40 Cb 0.61 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 64.20 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 -4.14 -1.34 -0.10 0.00 1.74 -1.26 -4.83 116.66 106.74 1qob n ARG 42 Ca 0.01 1.14 0.02 0.00 -0.77 0.00 0.00 57.85 58.25 1qob n ARG 42 Cb 0.40 -5.44 0.03 0.00 -1.02 0.00 0.00 32.46 26.43 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 1.34 1.82 -1.09 7.54 0.00 -1.26 -4.89 120.51 123.97 1qob n ALA 43 Ca -0.18 -1.26 -0.03 0.00 0.00 0.00 0.00 53.44 51.96 1qob n ALA 43 Cb 0.62 -0.17 -0.01 0.00 0.00 0.00 0.00 19.45 19.88 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 -0.52 0.59 0.95 0.00 0.00 -1.26 -4.81 105.19 100.14 1qob n GLY 44 Ca 0.04 -0.31 -0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 1.06 3.93 -3.74 4.61 0.00 -1.26 -1.36 120.51 123.74 1qob n ALA 45 Ca -0.03 -3.07 -0.09 0.00 0.00 0.00 0.00 53.44 50.25 1qob n ALA 45 Cb 0.20 -0.63 -0.02 0.00 0.00 0.00 0.00 19.45 19.00 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 -1.71 1.72 -0.21 0.00 3.41 -1.26 -4.75 113.62 110.82 1qob n SER 47 Ca -0.00 -1.36 0.02 0.00 -0.26 0.00 0.00 58.87 57.26 1qob n SER 47 Cb 0.44 0.05 0.12 0.00 -0.26 0.00 0.00 64.21 64.55 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 1.77 0.51 -0.32 6.66 2.02 -1.95 -1.39 112.91 120.20 1qob h THR 48 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1qob h THR 48 Cb 0.39 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1qob h THR 48 CO 0.00 0.03 0.00 0.00 0.37 0.00 0.00 175.52 175.92 1qob n ALA 50 N 0.43 0.75 -2.25 0.00 0.00 -0.52 -3.04 120.51 115.88 1qob n ALA 50 Ca 0.13 0.38 -0.14 0.00 0.00 0.00 0.00 53.44 53.81 1qob n ALA 50 Cb 0.54 -2.18 -0.10 0.00 0.00 0.00 0.00 19.45 17.72 1qob n ALA 50 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1qob s GLY 51 N -0.33 1.61 -0.11 0.00 0.00 0.28 -1.90 107.32 106.87 1qob s GLY 51 Ca 0.58 -1.77 -0.00 0.00 0.00 0.00 0.00 44.72 43.52 1qob s GLY 51 CO 0.60 -1.48 -0.08 1.25 0.00 0.00 0.00 173.10 173.39 1qob s LYS 52 N -4.07 1.52 0.28 2.90 2.20 0.79 -1.35 119.74 122.01 1qob s LYS 52 Ca 0.38 -0.26 -0.29 0.00 -0.36 0.00 0.00 55.97 55.44 1qob s LYS 52 Cb 0.07 -1.55 -0.10 0.00 -1.51 0.00 0.00 37.83 34.74 1qob s LYS 52 CO 0.13 -0.23 1.36 -0.51 -0.36 0.00 0.00 175.35 175.74 1qob s LEU 53 N 1.58 4.41 -0.19 5.43 1.43 0.13 -1.03 118.68 130.45 1qob s LEU 53 Ca 0.03 2.63 -0.01 0.00 -1.03 0.00 0.00 54.13 55.75 1qob s LEU 53 Cb -0.13 -3.63 -0.11 0.00 0.03 0.00 0.00 46.19 42.34 1qob s LEU 53 CO -0.07 -0.60 -0.19 0.52 0.23 0.00 0.00 176.35 176.24 1qob n VAL 54 N 1.71 1.08 -3.51 -1.59 0.31 0.42 -4.91 118.33 111.84 1qob n VAL 54 Ca 0.04 -0.38 -0.11 0.00 -0.01 0.00 0.00 64.34 63.87 1qob n VAL 54 Cb 0.41 -1.31 -0.03 0.00 -0.91 0.00 0.00 33.84 32.00 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 -6.06 -0.42 0.00 4.52 1.04 -1.05 -4.97 113.70 106.75 1qob s SER 55 Ca -0.26 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.03 1qob s SER 55 Cb 0.08 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.74 1qob s SER 55 CO 0.41 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 174.32 1qob n GLY 56 N -0.31 -0.73 3.31 7.32 0.00 -1.26 -1.86 105.19 111.67 1qob n GLY 56 Ca -0.17 -1.71 -0.20 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.46 1.68 0.16 2.61 -4.23 -1.26 -4.96 115.64 108.19 1qob s THR 57 Ca 0.00 -1.95 0.01 0.00 -1.18 0.00 0.00 61.69 58.58 1qob s THR 57 Cb 0.00 -1.82 -0.05 0.00 1.34 0.00 0.00 72.50 71.97 1qob s THR 57 CO 0.00 -0.41 0.01 0.68 -0.54 0.00 0.00 174.62 174.35 1qob s VAL 58 N -2.31 0.60 -0.34 2.29 -7.23 -1.26 -0.74 120.40 111.41 1qob s VAL 58 Ca 0.16 -1.97 -0.01 0.00 -1.81 0.00 0.00 61.98 58.35 1qob s VAL 58 Cb -0.04 -2.08 0.08 0.00 0.56 0.00 0.00 36.38 34.89 1qob s VAL 58 CO 0.06 -0.50 0.06 -0.62 -0.31 0.00 0.00 175.10 173.79 1qob s ASP 59 N -3.15 4.95 -0.22 4.85 2.15 0.29 -4.84 116.67 120.70 1qob s ASP 59 Ca 0.23 -1.67 0.12 0.00 0.43 0.00 0.00 52.55 51.66 1qob s ASP 59 Cb 0.06 -1.72 0.44 0.00 -0.30 0.00 0.00 42.92 41.40 1qob s ASP 59 CO 0.03 -0.36 1.20 0.00 -0.17 0.00 0.00 175.17 175.87 1qob n GLN 60 N 4.53 2.18 -0.41 4.34 10.64 -1.26 -1.26 117.38 136.16 1qob n GLN 60 Ca -0.07 -3.51 0.33 0.00 -1.83 0.00 0.00 57.00 51.92 1qob n GLN 60 Cb 0.42 -1.71 0.63 0.00 -0.86 0.00 0.00 30.24 28.73 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 1.54 0.26 0.83 2.61 4.64 -1.92 0.75 113.55 122.26 1qob h SER 61 Ca 0.10 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1qob h SER 61 Cb 1.30 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 1qob h SER 61 CO 0.30 -0.06 0.00 0.29 -0.87 0.00 0.00 176.83 176.49 1qob n LYS 62 N -4.54 0.02 -2.17 4.77 5.02 -1.26 -4.85 118.16 115.14 1qob n LYS 62 Ca 0.32 0.11 -0.37 0.00 -2.02 0.00 0.00 58.31 56.35 1qob n LYS 62 Cb 1.26 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 34.75 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 -3.01 3.52 0.00 1.97 1.03 0.25 -4.81 119.66 118.61 1qob s GLN 63 Ca 0.11 1.81 0.00 0.00 0.04 0.00 0.00 55.36 57.32 1qob s GLN 63 Cb 0.15 -2.26 0.00 0.00 0.03 0.00 0.00 33.01 30.93 1qob s GLN 63 CO 0.43 -0.76 0.27 -1.13 -2.54 0.00 0.00 175.29 171.57 1qob n SER 64 N -0.82 0.26 -0.03 12.60 3.41 -0.46 -4.88 113.62 123.69 1qob n SER 64 Ca 0.09 -1.07 -0.04 0.00 -0.26 0.00 0.00 58.87 57.59 1qob n SER 64 Cb 0.48 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.30 1qob n SER 64 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1qob n PHE 65 N -0.03 0.57 -2.89 7.33 7.35 -1.08 -4.94 117.46 123.78 1qob n PHE 65 Ca 0.00 0.20 -0.35 0.00 -0.76 0.00 0.00 57.45 56.54 1qob n PHE 65 Cb 0.29 -1.03 -0.07 0.00 0.35 0.00 0.00 39.48 39.02 1qob n PHE 65 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1qob s LEU 66 N -5.64 4.16 0.57 -2.13 1.43 -1.26 -5.02 118.68 110.79 1qob s LEU 66 Ca -0.06 1.65 -0.03 0.00 -1.03 0.00 0.00 54.13 54.66 1qob s LEU 66 Cb 0.08 -4.15 0.02 0.00 0.03 0.00 0.00 46.19 42.17 1qob s LEU 66 CO 0.83 -0.17 0.84 1.51 0.23 0.00 0.00 176.35 179.59 1qob s ASP 67 N -1.90 5.46 0.39 2.29 1.47 -1.26 -4.86 116.67 118.25 1qob s ASP 67 Ca 0.54 0.45 0.12 0.00 1.18 0.00 0.00 52.55 54.83 1qob s ASP 67 Cb -0.14 -1.42 0.92 0.00 -0.34 0.00 0.00 42.92 41.94 1qob s ASP 67 CO 0.19 -1.08 1.89 -2.24 0.68 0.00 0.00 175.17 174.60 1qob h ASP 68 N -0.07 0.54 -0.36 2.11 2.03 -1.99 0.06 116.42 118.74 1qob h ASP 68 Ca -0.45 0.03 -0.10 0.00 -0.73 0.00 0.00 57.03 55.79 1qob h ASP 68 Cb 1.27 -0.07 -0.01 0.00 -0.83 0.00 0.00 39.33 39.69 1qob h ASP 68 CO 0.58 0.27 -0.15 0.44 -1.03 0.00 0.00 179.24 179.35 1qob h ASP 69 N 0.57 0.76 -0.44 4.15 3.32 -1.99 -0.74 116.42 122.06 1qob h ASP 69 Ca 0.42 -0.40 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 1qob h ASP 69 Cb 0.78 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 1qob h ASP 69 CO -0.17 0.99 0.20 1.56 -1.72 0.00 0.00 179.24 180.10 1qob h GLN 70 N 0.53 0.64 -0.72 3.56 4.20 -1.55 -0.64 115.11 121.13 1qob h GLN 70 Ca 0.08 -0.10 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 1qob h GLN 70 Cb 0.69 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 1qob h GLN 70 CO 0.05 0.56 0.30 0.82 -0.67 0.00 0.00 178.83 179.90 1qob h ILE 71 N 0.57 1.25 -0.83 2.54 2.04 -0.97 -2.13 117.51 119.98 1qob h ILE 71 Ca 0.15 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.26 1qob h ILE 71 Cb 0.15 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 36.58 1qob h ILE 71 CO -0.02 0.31 0.52 -0.08 0.00 0.00 0.00 178.15 178.88 1qob h GLU 72 N 1.03 1.11 0.00 2.37 4.81 -0.61 -1.76 114.58 121.53 1qob h GLU 72 Ca 0.24 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1qob h GLU 72 Cb 0.19 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1qob h GLU 72 CO -0.02 0.76 0.00 0.00 -0.73 0.00 0.00 179.01 179.02 1qob n ALA 73 N -2.41 1.69 0.00 2.92 0.00 -0.29 -4.86 120.51 117.55 1qob n ALA 73 Ca 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1qob n ALA 73 Cb 0.05 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.29 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 -0.18 0.62 3.77 0.00 0.00 -0.66 -4.87 105.19 103.87 1qob n GLY 74 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.00 3.06 0.01 1.61 2.02 -0.98 -0.69 117.35 120.37 1qob s TYR 75 Ca 0.00 1.53 0.00 0.00 -0.37 0.00 0.00 57.07 58.23 1qob s TYR 75 Cb 0.00 -3.46 -0.01 0.00 -0.40 0.00 0.00 41.96 38.09 1qob s TYR 75 CO 0.00 -1.45 -0.02 0.08 -1.57 0.00 0.00 175.55 172.60 1qob s VAL 76 N -1.35 0.10 -0.54 0.71 1.01 -0.46 -4.59 120.40 115.29 1qob s VAL 76 Ca 0.55 -0.30 -0.17 0.00 0.00 0.00 0.00 61.98 62.07 1qob s VAL 76 Cb -0.33 -0.14 0.11 0.00 0.00 0.00 0.00 36.38 36.02 1qob s VAL 76 CO 0.42 -0.12 0.53 -0.76 0.00 0.00 0.00 175.10 175.16 1qob s LEU 77 N -0.44 5.89 0.60 3.92 1.43 -1.26 -0.56 118.68 128.26 1qob s LEU 77 Ca -0.04 -1.61 0.31 0.00 -1.03 0.00 0.00 54.13 51.76 1qob s LEU 77 Cb -0.03 -2.23 1.77 0.00 0.03 0.00 0.00 46.19 45.73 1qob s LEU 77 CO -0.00 -0.88 2.15 0.71 0.23 0.00 0.00 176.35 178.56 1qob h THR 78 N 5.87 0.40 0.00 5.49 1.35 -1.90 -2.10 112.91 122.03 1qob h THR 78 Ca -0.30 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 1qob h THR 78 Cb 1.10 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 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 -2.56 0.79 -4.38 0.00 0.24 -0.80 -4.84 118.33 106.78 1qob n VAL 80 Ca 0.01 -1.36 -0.34 0.00 -2.04 0.00 0.00 64.34 60.61 1qob n VAL 80 Cb 0.22 0.36 -0.12 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 -1.18 3.04 -0.12 2.33 0.00 -1.13 -4.40 121.76 120.31 1qob s ALA 81 Ca 0.24 -0.81 -0.04 0.00 0.00 0.00 0.00 51.96 51.34 1qob s ALA 81 Cb 0.24 -1.56 -0.04 0.00 0.00 0.00 0.00 23.12 21.76 1qob s ALA 81 CO -0.06 0.25 0.05 0.71 0.00 0.00 0.00 175.76 176.71 1qob s TYR 82 N 0.24 3.29 0.32 0.00 2.02 -0.39 -1.09 117.35 121.75 1qob s TYR 82 Ca -0.02 0.25 -0.27 0.00 -0.37 0.00 0.00 57.07 56.65 1qob s TYR 82 Cb -0.14 -1.89 -0.09 0.00 -0.40 0.00 0.00 41.96 39.44 1qob s TYR 82 CO 0.03 0.47 1.00 -1.25 -1.57 0.00 0.00 175.55 174.22 1qob s PRO 83 N -0.64 4.55 0.00 -1.71 0.04 -1.26 -0.54 135.00 135.44 1qob s PRO 83 Ca 0.11 1.50 0.06 0.00 0.04 0.00 0.00 61.00 62.71 1qob s PRO 83 Cb -0.12 -2.91 0.07 0.00 0.04 0.00 0.00 34.50 31.59 1qob s PRO 83 CO 0.02 0.21 0.78 0.25 0.04 0.00 0.00 177.00 178.30 1qob n THR 84 N 0.71 0.17 -3.85 1.26 -2.24 0.08 -4.73 114.28 105.68 1qob n THR 84 Ca 0.01 -0.59 -0.04 0.00 -2.27 0.00 0.00 64.05 61.17 1qob n THR 84 Cb 0.48 1.02 0.01 0.00 -2.10 0.00 0.00 70.33 69.75 1qob n THR 84 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1qob s SER 85 N -0.61 -0.02 0.36 3.42 1.04 -1.19 -4.86 113.70 111.84 1qob s SER 85 Ca 0.08 -0.70 -0.28 0.00 0.48 0.00 0.00 55.95 55.54 1qob s SER 85 Cb 0.06 0.54 -0.10 0.00 0.10 0.00 0.00 66.02 66.62 1qob s SER 85 CO 0.08 -1.07 1.33 -1.81 0.98 0.00 0.00 173.24 172.75 1qob s ASP 86 N -3.30 6.61 0.06 7.02 1.11 -1.26 -4.66 116.67 122.25 1qob s ASP 86 Ca 0.20 2.73 0.02 0.00 0.18 0.00 0.00 52.55 55.68 1qob s ASP 86 Cb -0.03 -2.65 -0.03 0.00 1.07 0.00 0.00 42.92 41.28 1qob s ASP 86 CO 0.06 -0.65 -0.08 -0.69 1.18 0.00 0.00 175.17 174.98 1qob s VAL 87 N -1.17 0.62 -0.13 -1.27 1.01 0.54 -4.14 120.40 115.87 1qob s VAL 87 Ca 0.51 -1.36 0.01 0.00 0.00 0.00 0.00 61.98 61.14 1qob s VAL 87 Cb -0.40 -0.97 0.02 0.00 0.00 0.00 0.00 36.38 35.02 1qob s VAL 87 CO 0.53 -0.53 -0.16 -0.69 0.00 0.00 0.00 175.10 174.26 1qob s VAL 88 N -2.07 1.63 -0.01 2.92 1.01 -0.77 0.01 120.40 123.10 1qob s VAL 88 Ca -0.03 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 1qob s VAL 88 Cb -0.05 -1.49 0.00 0.00 0.00 0.00 0.00 36.38 34.84 1qob s VAL 88 CO -0.01 0.47 0.04 -0.51 0.00 0.00 0.00 175.10 175.09 1qob s ILE 89 N 1.15 -0.00 -0.14 2.22 2.07 -0.07 -0.44 121.20 125.99 1qob s ILE 89 Ca -0.02 0.00 -0.22 0.00 -1.41 0.00 0.00 60.65 59.01 1qob s ILE 89 Cb -0.14 -0.06 -0.03 0.00 0.13 0.00 0.00 42.46 42.35 1qob s ILE 89 CO -0.05 0.00 0.66 -1.10 -1.91 0.00 0.00 174.94 172.54 1qob s GLN 90 N 0.04 4.31 0.72 3.50 -0.21 -0.19 -0.81 119.66 127.02 1qob s GLN 90 Ca -0.00 0.73 -0.01 0.00 0.02 0.00 0.00 55.36 56.09 1qob s GLN 90 Cb -0.01 -3.52 0.12 0.00 1.00 0.00 0.00 33.01 30.61 1qob s GLN 90 CO -0.00 -0.10 0.99 0.95 -2.12 0.00 0.00 175.29 175.01 1qob s THR 91 N 1.41 2.16 -1.44 -0.19 -4.23 0.52 -0.15 115.64 113.73 1qob s THR 91 Ca 0.32 -0.57 -0.05 0.00 -1.18 0.00 0.00 61.69 60.21 1qob s THR 91 Cb -0.16 -2.59 0.04 0.00 1.34 0.00 0.00 72.50 71.12 1qob s THR 91 CO 0.13 0.00 0.68 1.41 -0.54 0.00 0.00 174.62 176.30 1qob n HIS 92 N -2.84 -1.89 -0.62 3.99 8.25 -1.23 -4.72 115.22 116.16 1qob n HIS 92 Ca 0.14 0.82 0.10 0.00 -0.26 0.00 0.00 57.72 58.52 1qob n HIS 92 Cb 0.60 -3.92 0.36 0.00 1.12 0.00 0.00 29.99 28.16 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 -4.42 3.72 -0.19 -0.41 4.76 -0.80 -4.52 118.16 116.30 1qob n LYS 93 Ca -0.18 -2.90 0.19 0.00 -2.87 0.00 0.00 58.31 52.55 1qob n LYS 93 Cb 0.62 -1.89 0.55 0.00 -1.84 0.00 0.00 35.03 32.48 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 4.17 0.31 -0.20 1.97 4.81 -1.79 -1.30 114.58 122.54 1qob h GLU 94 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1qob h GLU 94 Cb 1.45 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.74 1qob h GLU 94 CO 0.22 0.21 0.14 1.49 -0.73 0.00 0.00 179.01 180.34 1qob h GLU 95 N 0.32 0.26 0.00 1.92 4.81 -1.92 -1.61 114.58 118.36 1qob h GLU 95 Ca 0.41 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.63 1qob h GLU 95 Cb 1.13 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1qob h GLU 95 CO -0.12 0.17 0.00 -0.25 -0.73 0.00 0.00 179.01 178.08 1qob n ASP 96 N -4.51 0.00 0.05 1.04 9.92 -0.49 -2.42 116.55 120.15 1qob n ASP 96 Ca 0.00 0.42 0.11 0.00 -0.53 0.00 0.00 54.79 54.79 1qob n ASP 96 Cb 0.08 -0.46 0.03 0.00 -0.64 0.00 0.00 41.12 40.13 1qob n ASP 96 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1qob n LEU 97 N -1.46 0.64 -0.16 0.64 4.77 -0.60 -5.19 117.00 115.63 1qob n LEU 97 Ca 0.04 0.12 0.02 0.00 -0.03 0.00 0.00 56.01 56.16 1qob n LEU 97 Cb 0.15 -0.09 0.02 0.00 -2.33 0.00 0.00 43.42 41.16 1qob n LEU 97 CO 0.12 -0.04 0.31 -1.22 -1.33 0.00 0.00 177.39 175.23