#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qyn s THR 10 N 0.00 1.00 -0.26 1.12 2.01 0.24 -4.97 115.64 114.79 1qyn s THR 10 Ca 0.00 -0.56 -0.03 0.00 0.31 0.00 0.00 61.69 61.41 1qyn s THR 10 Cb 0.00 -0.84 0.15 0.00 0.01 0.00 0.00 72.50 71.82 1qyn s THR 10 CO 0.00 0.27 0.46 0.12 -0.69 0.00 0.00 174.62 174.78 1qyn s PHE 11 N -0.32 -1.10 -0.01 4.92 5.36 -1.24 -1.81 117.98 123.77 1qyn s PHE 11 Ca 0.05 1.24 0.02 0.00 -0.96 0.00 0.00 56.93 57.28 1qyn s PHE 11 Cb -0.05 0.25 0.00 0.00 -0.34 0.00 0.00 43.02 42.88 1qyn s PHE 11 CO -0.00 -0.75 -0.06 -0.65 -1.46 0.00 0.00 175.22 172.30 1qyn s GLN 12 N 2.67 0.57 -0.19 10.12 -0.21 -0.54 -4.96 119.66 127.13 1qyn s GLN 12 Ca 0.13 -0.20 -0.25 0.00 0.02 0.00 0.00 55.36 55.06 1qyn s GLN 12 Cb -0.15 -0.56 -0.01 0.00 1.00 0.00 0.00 33.01 33.29 1qyn s GLN 12 CO -0.17 0.10 0.81 0.42 -2.12 0.00 0.00 175.29 174.32 1qyn s ILE 13 N 0.05 4.88 -0.12 1.08 1.01 -1.26 0.15 121.20 126.99 1qyn s ILE 13 Ca -0.00 1.57 0.20 0.00 0.00 0.00 0.00 60.65 62.42 1qyn s ILE 13 Cb -0.05 -4.11 -0.22 0.00 0.01 0.00 0.00 42.46 38.09 1qyn s ILE 13 CO -0.00 0.01 0.56 0.00 0.00 0.00 0.00 174.94 175.51 1qyn n GLN 14 N 5.39 0.65 -3.62 2.79 6.02 0.26 -4.95 117.38 123.91 1qyn n GLN 14 Ca 0.04 -0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.96 1qyn n GLN 14 Cb 0.49 -1.64 -0.06 0.00 1.02 0.00 0.00 30.24 30.05 1qyn n GLN 14 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1qyn s ARG 15 N -3.12 0.34 -0.07 -1.09 3.52 -1.12 -4.94 118.95 112.47 1qyn s ARG 15 Ca -0.06 0.22 0.03 0.00 -0.13 0.00 0.00 55.73 55.79 1qyn s ARG 15 Cb 0.10 0.16 0.01 0.00 -1.56 0.00 0.00 34.95 33.66 1qyn s ARG 15 CO 0.85 -0.08 -0.15 0.42 -0.81 0.00 0.00 175.30 175.53 1qyn s ILE 16 N -0.48 1.37 0.06 4.11 1.09 -1.26 -1.02 121.20 125.07 1qyn s ILE 16 Ca 0.04 -0.63 -0.24 0.00 -1.10 0.00 0.00 60.65 58.72 1qyn s ILE 16 Cb -0.03 -1.22 0.06 0.00 -1.06 0.00 0.00 42.46 40.22 1qyn s ILE 16 CO -0.06 0.41 0.58 -0.72 -0.10 0.00 0.00 174.94 175.04 1qyn s TYR 17 N 0.50 -0.51 -0.28 3.97 -0.85 -0.06 -4.99 117.35 115.12 1qyn s TYR 17 Ca -0.14 0.56 -0.13 0.00 -0.52 0.00 0.00 57.07 56.84 1qyn s TYR 17 Cb -0.16 0.43 -0.04 0.00 0.38 0.00 0.00 41.96 42.57 1qyn s TYR 17 CO 0.05 -0.71 0.29 0.95 -1.52 0.00 0.00 175.55 174.61 1qyn s THR 18 N -2.63 5.23 -0.03 -3.49 -4.23 -1.26 -0.01 115.64 109.22 1qyn s THR 18 Ca -0.04 0.34 0.12 0.00 -1.18 0.00 0.00 61.69 60.92 1qyn s THR 18 Cb -0.01 -3.64 -0.13 0.00 1.34 0.00 0.00 72.50 70.06 1qyn s THR 18 CO -0.03 0.17 1.11 0.11 -0.54 0.00 0.00 174.62 175.43 1qyn h LYS 19 N 8.29 0.00 -2.49 3.99 1.57 -1.33 -3.47 116.57 123.13 1qyn h LYS 19 Ca -0.33 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.37 1qyn h LYS 19 Cb 1.17 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 33.24 1qyn h LYS 19 CO 0.61 0.64 -0.18 0.34 -0.57 0.00 0.00 179.45 180.28 1qyn s ASP 20 N -6.34 -0.60 -0.01 0.86 -1.08 -1.21 -4.99 116.67 103.30 1qyn s ASP 20 Ca -0.00 1.04 0.02 0.00 -0.52 0.00 0.00 52.55 53.09 1qyn s ASP 20 Cb 0.09 0.97 -0.00 0.00 -1.46 0.00 0.00 42.92 42.51 1qyn s ASP 20 CO 0.80 -0.19 -0.08 -0.63 0.52 0.00 0.00 175.17 175.59 1qyn s ILE 21 N 1.05 0.62 -0.14 4.11 1.01 -1.26 -0.78 121.20 125.82 1qyn s ILE 21 Ca -0.06 -0.31 -0.06 0.00 0.00 0.00 0.00 60.65 60.21 1qyn s ILE 21 Cb -0.06 -0.54 0.06 0.00 0.01 0.00 0.00 42.46 41.93 1qyn s ILE 21 CO -0.09 0.19 0.30 -0.55 0.00 0.00 0.00 174.94 174.79 1qyn s SER 22 N -0.02 -0.12 -0.03 3.58 0.15 -0.14 -4.99 113.70 112.13 1qyn s SER 22 Ca 0.01 0.68 0.02 0.00 0.70 0.00 0.00 55.95 57.35 1qyn s SER 22 Cb -0.05 0.69 0.01 0.00 -1.71 0.00 0.00 66.02 64.95 1qyn s SER 22 CO -0.00 -0.20 -0.08 0.12 1.20 0.00 0.00 173.24 174.27 1qyn s PHE 23 N 1.82 0.92 -0.07 3.44 5.36 -1.26 -0.20 117.98 127.99 1qyn s PHE 23 Ca -0.05 -0.24 -0.04 0.00 -0.96 0.00 0.00 56.93 55.64 1qyn s PHE 23 Cb -0.11 -0.68 0.03 0.00 -0.34 0.00 0.00 43.02 41.93 1qyn s PHE 23 CO -0.10 -0.12 0.16 -1.21 -1.46 0.00 0.00 175.22 172.49 1qyn s GLU 24 N 0.32 0.12 -0.56 10.12 2.02 0.22 -4.99 118.70 125.96 1qyn s GLU 24 Ca -0.05 0.34 0.06 0.00 0.02 0.00 0.00 54.97 55.35 1qyn s GLU 24 Cb -0.10 -0.10 0.24 0.00 0.10 0.00 0.00 34.13 34.27 1qyn s GLU 24 CO 0.01 -0.13 0.63 0.00 0.02 0.00 0.00 175.26 175.79 1qyn n ALA 25 N 3.88 3.44 -0.26 5.21 0.00 -1.26 -0.69 120.51 130.83 1qyn n ALA 25 Ca -0.23 -4.23 0.15 0.00 0.00 0.00 0.00 53.44 49.13 1qyn n ALA 25 Cb 0.54 -0.88 0.43 0.00 0.00 0.00 0.00 19.45 19.54 1qyn n ALA 25 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1qyn h PRO 26 N 4.33 0.56 -0.48 0.00 0.13 -1.89 -1.88 132.00 132.77 1qyn h PRO 26 Ca 0.16 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1qyn h PRO 26 Cb 0.75 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.76 1qyn h PRO 26 CO 0.68 0.37 0.00 0.09 -0.23 0.00 0.00 178.00 178.91 1qyn n ASN 27 N -4.56 2.54 -4.80 1.44 3.02 -1.26 -4.91 115.26 106.72 1qyn n ASN 27 Ca 0.19 -2.05 -0.36 0.00 -0.03 0.00 0.00 54.58 52.33 1qyn n ASN 27 Cb 0.58 -0.33 -0.06 0.00 -0.61 0.00 0.00 39.78 39.35 1qyn n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qyn s ALA 28 N -1.46 3.22 -1.31 5.41 0.00 -0.71 -0.91 121.76 126.00 1qyn s ALA 28 Ca 0.30 0.39 0.25 0.00 0.00 0.00 0.00 51.96 52.90 1qyn s ALA 28 Cb 0.16 -3.07 0.53 0.00 0.00 0.00 0.00 23.12 20.74 1qyn s ALA 28 CO 0.19 0.21 1.42 -0.35 0.00 0.00 0.00 175.76 177.24 1qyn n PRO 29 N 0.28 0.34 -0.18 0.00 -0.04 -1.26 -4.89 135.00 129.25 1qyn n PRO 29 Ca 0.02 -0.21 0.09 0.00 -0.04 0.00 0.00 63.50 63.36 1qyn n PRO 29 Cb 0.51 -1.50 0.38 0.00 -0.04 0.00 0.00 33.50 32.86 1qyn n PRO 29 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 1qyn h HIS 30 N 0.52 0.72 0.00 0.54 2.07 -1.91 0.63 115.15 117.71 1qyn h HIS 30 Ca 0.00 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.54 1qyn h HIS 30 Cb 0.51 -0.23 0.00 0.00 2.57 0.00 0.00 27.41 30.26 1qyn h HIS 30 CO 0.00 0.35 0.00 -0.24 -3.07 0.00 0.00 177.93 174.97 1qyn h VAL 31 N 0.68 0.00 0.00 6.12 3.04 -1.37 -1.57 116.25 123.15 1qyn h VAL 31 Ca 0.33 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.91 1qyn h VAL 31 Cb 0.41 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 30.64 1qyn h VAL 31 CO -0.12 0.00 0.00 -0.26 -1.01 0.00 0.00 177.57 176.18 1qyn h PHE 32 N 0.00 0.00 0.00 3.17 0.04 -1.13 -2.22 116.94 116.80 1qyn h PHE 32 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1qyn h PHE 32 Cb 0.13 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.28 1qyn h PHE 32 CO 0.00 0.00 0.00 1.04 -0.60 0.00 0.00 178.31 178.75 1qyn n GLN 33 N -2.42 0.04 -3.57 1.51 6.02 -0.59 -3.90 117.38 114.47 1qyn n GLN 33 Ca -0.01 0.43 -0.40 0.00 -0.01 0.00 0.00 57.00 57.01 1qyn n GLN 33 Cb 0.08 -1.61 -0.07 0.00 1.02 0.00 0.00 30.24 29.67 1qyn n GLN 33 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1qyn s LYS 34 N -3.11 2.96 -1.24 -1.09 1.02 -0.84 -4.99 119.74 112.45 1qyn s LYS 34 Ca 0.02 -2.52 -0.10 0.00 0.02 0.00 0.00 55.97 53.40 1qyn s LYS 34 Cb 0.05 -3.99 0.19 0.00 -0.52 0.00 0.00 37.83 33.55 1qyn s LYS 34 CO 0.15 -1.22 1.69 -0.40 -0.92 0.00 0.00 175.35 174.66 1qyn n ASP 35 N 3.65 5.27 -3.21 2.83 5.75 -1.25 -4.91 116.55 124.68 1qyn n ASP 35 Ca 0.10 -3.10 -0.15 0.00 -0.01 0.00 0.00 54.79 51.63 1qyn n ASP 35 Cb 0.41 -1.48 -0.04 0.00 -1.03 0.00 0.00 41.12 38.98 1qyn n ASP 35 CO 0.00 0.00 0.00 -1.66 -0.11 0.00 0.00 177.20 175.43 1qyn s TRP 36 N 0.33 1.04 -0.08 2.11 -2.14 -1.26 -5.13 118.94 113.81 1qyn s TRP 36 Ca 0.39 -1.28 -0.30 0.00 2.66 0.00 0.00 56.10 57.57 1qyn s TRP 36 Cb 0.05 -0.05 -0.04 0.00 -3.10 0.00 0.00 33.47 30.34 1qyn s TRP 36 CO 0.01 -1.16 1.35 -1.14 -2.66 0.00 0.00 176.95 173.35 1qyn s GLN 37 N -2.99 4.26 0.41 3.25 2.00 -1.26 -4.88 119.66 120.45 1qyn s GLN 37 Ca 0.30 1.84 -0.25 0.00 -2.00 0.00 0.00 55.36 55.25 1qyn s GLN 37 Cb -0.01 -3.70 -0.08 0.00 0.80 0.00 0.00 33.01 30.02 1qyn s GLN 37 CO 0.20 -0.64 1.22 -2.14 -0.50 0.00 0.00 175.29 173.43 1qyn s PRO 38 N 3.01 3.96 0.21 1.67 0.02 -1.26 -4.99 135.00 137.63 1qyn s PRO 38 Ca 0.61 1.95 -0.30 0.00 0.02 0.00 0.00 61.00 63.28 1qyn s PRO 38 Cb -0.27 -2.66 -0.08 0.00 0.02 0.00 0.00 34.50 31.50 1qyn s PRO 38 CO 0.22 -0.43 1.00 -1.21 -0.33 0.00 0.00 177.00 176.25 1qyn s GLU 39 N -2.33 4.75 -0.12 5.54 0.41 -0.71 -4.85 118.70 121.38 1qyn s GLU 39 Ca 0.58 1.57 0.03 0.00 -0.41 0.00 0.00 54.97 56.74 1qyn s GLU 39 Cb -0.33 -3.28 0.01 0.00 -1.78 0.00 0.00 34.13 28.74 1qyn s GLU 39 CO 0.42 0.34 -0.22 0.08 -0.49 0.00 0.00 175.26 175.39 1qyn s VAL 40 N -0.81 1.97 -0.13 2.63 1.01 -1.26 -1.48 120.40 122.34 1qyn s VAL 40 Ca 0.44 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.45 1qyn s VAL 40 Cb -0.27 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 1qyn s VAL 40 CO 0.34 0.54 -0.04 -0.54 0.00 0.00 0.00 175.10 175.39 1qyn s LYS 41 N 0.66 3.36 -0.07 2.72 -0.14 0.13 -4.98 119.74 121.43 1qyn s LYS 41 Ca -0.11 -0.52 0.06 0.00 -1.36 0.00 0.00 55.97 54.04 1qyn s LYS 41 Cb -0.16 -2.82 -0.01 0.00 -1.68 0.00 0.00 37.83 33.16 1qyn s LYS 41 CO 0.02 0.40 -0.25 -1.17 -0.76 0.00 0.00 175.35 173.60 1qyn s LEU 42 N -0.07 2.07 -0.03 3.17 2.96 -1.26 -1.19 118.68 124.32 1qyn s LEU 42 Ca 0.02 -0.51 0.03 0.00 -0.22 0.00 0.00 54.13 53.44 1qyn s LEU 42 Cb -0.13 -1.36 0.00 0.00 0.50 0.00 0.00 46.19 45.20 1qyn s LEU 42 CO 0.03 0.22 -0.11 -0.62 -1.32 0.00 0.00 176.35 174.55 1qyn s ASP 43 N -0.06 1.50 0.17 3.68 2.15 -0.09 -4.99 116.67 119.03 1qyn s ASP 43 Ca -0.07 -0.24 0.10 0.00 0.43 0.00 0.00 52.55 52.78 1qyn s ASP 43 Cb -0.14 -0.40 -0.04 0.00 -0.30 0.00 0.00 42.92 42.03 1qyn s ASP 43 CO 0.05 0.09 -0.18 -0.76 -0.17 0.00 0.00 175.17 174.20 1qyn s LEU 44 N 0.15 2.67 -0.23 -1.34 1.43 -1.26 -0.18 118.68 119.91 1qyn s LEU 44 Ca -0.03 -0.69 -0.18 0.00 -1.03 0.00 0.00 54.13 52.20 1qyn s LEU 44 Cb -0.09 -1.43 0.06 0.00 0.03 0.00 0.00 46.19 44.76 1qyn s LEU 44 CO 0.01 0.13 0.59 -0.62 0.23 0.00 0.00 176.35 176.69 1qyn s ASP 45 N -2.56 -0.68 0.29 2.29 2.15 -0.51 -5.01 116.67 112.64 1qyn s ASP 45 Ca 0.21 1.22 0.06 0.00 0.43 0.00 0.00 52.55 54.47 1qyn s ASP 45 Cb -0.09 1.18 -0.06 0.00 -0.30 0.00 0.00 42.92 43.65 1qyn s ASP 45 CO 0.11 -0.21 -0.03 0.28 -0.17 0.00 0.00 175.17 175.16 1qyn s THR 46 N 0.82 1.50 -0.05 1.71 -1.32 -1.26 0.07 115.64 117.10 1qyn s THR 46 Ca -0.04 -2.08 -0.31 0.00 -1.21 0.00 0.00 61.69 58.05 1qyn s THR 46 Cb -0.05 -2.53 0.11 0.00 -1.51 0.00 0.00 72.50 68.52 1qyn s THR 46 CO -0.07 -0.23 1.08 0.00 -2.21 0.00 0.00 174.62 173.20 1qyn s ALA 47 N -3.10 -1.96 0.31 11.08 0.00 -1.02 -5.00 121.76 122.06 1qyn s ALA 47 Ca 0.31 1.06 -0.12 0.00 0.00 0.00 0.00 51.96 53.20 1qyn s ALA 47 Cb 0.05 0.24 0.02 0.00 0.00 0.00 0.00 23.12 23.43 1qyn s ALA 47 CO 0.12 -0.76 0.59 -1.54 0.00 0.00 0.00 175.76 174.17 1qyn s SER 48 N -2.52 0.14 -0.28 0.00 1.04 -1.26 -1.42 113.70 109.40 1qyn s SER 48 Ca 0.09 -1.06 -0.26 0.00 0.48 0.00 0.00 55.95 55.21 1qyn s SER 48 Cb -0.00 0.69 0.15 0.00 0.10 0.00 0.00 66.02 66.96 1qyn s SER 48 CO -0.05 -1.34 1.19 -0.94 0.98 0.00 0.00 173.24 173.08 1qyn s SER 49 N -3.07 -0.28 0.22 7.02 1.04 -0.50 -4.98 113.70 113.14 1qyn s SER 49 Ca 0.21 0.53 -0.30 0.00 0.48 0.00 0.00 55.95 56.87 1qyn s SER 49 Cb -0.03 0.53 -0.08 0.00 0.10 0.00 0.00 66.02 66.54 1qyn s SER 49 CO 0.12 -0.11 0.93 -1.58 0.98 0.00 0.00 173.24 173.58 1qyn s GLN 50 N 0.01 4.82 -0.01 4.02 0.74 -1.26 -0.65 119.66 127.32 1qyn s GLN 50 Ca 0.05 1.46 0.10 0.00 0.05 0.00 0.00 55.36 57.02 1qyn s GLN 50 Cb -0.05 -3.29 -0.16 0.00 1.10 0.00 0.00 33.01 30.61 1qyn s GLN 50 CO -0.09 0.48 0.23 1.28 -0.55 0.00 0.00 175.29 176.64 1qyn n LEU 51 N 1.67 0.02 0.00 3.68 4.77 0.87 -4.91 117.00 123.10 1qyn n LEU 51 Ca -0.02 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1qyn n LEU 51 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1qyn n LEU 51 CO 0.50 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.56 1qyn n ALA 52 N -1.84 0.00 -2.51 -1.18 0.00 -1.15 -5.02 120.51 108.82 1qyn n ALA 52 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.00 1qyn n ALA 52 Cb 0.27 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.69 1qyn n ALA 52 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1qyn s ASP 53 N -0.88 7.15 -1.83 0.00 1.01 -1.26 -3.14 116.67 117.72 1qyn s ASP 53 Ca 0.00 1.87 0.00 0.00 0.71 0.00 0.00 52.55 55.13 1qyn s ASP 53 Cb 0.00 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.36 1qyn s ASP 53 CO 0.00 -0.45 0.00 0.47 0.21 0.00 0.00 175.17 175.40 1qyn n ASP 54 N 4.25 -5.09 -3.84 0.27 8.00 -1.26 -4.96 116.55 113.92 1qyn n ASP 54 Ca 0.09 0.41 -0.24 0.00 0.71 0.00 0.00 54.79 55.75 1qyn n ASP 54 Cb 0.47 -4.12 -0.17 0.00 -0.02 0.00 0.00 41.12 37.28 1qyn n ASP 54 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1qyn s VAL 55 N -2.66 0.68 0.08 2.53 1.01 -1.19 -0.35 120.40 120.51 1qyn s VAL 55 Ca 0.00 -0.08 0.05 0.00 0.00 0.00 0.00 61.98 61.95 1qyn s VAL 55 Cb 0.00 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 1qyn s VAL 55 CO 0.00 0.31 -0.14 -0.31 0.00 0.00 0.00 175.10 174.96 1qyn s TYR 56 N 1.76 1.22 -0.13 5.22 1.51 -0.30 -0.09 117.35 126.54 1qyn s TYR 56 Ca 0.03 -0.49 -0.02 0.00 -1.01 0.00 0.00 57.07 55.58 1qyn s TYR 56 Cb -0.13 -0.68 -0.03 0.00 -0.11 0.00 0.00 41.96 41.02 1qyn s TYR 56 CO -0.06 0.06 -0.06 -2.00 -1.11 0.00 0.00 175.55 172.38 1qyn s GLU 57 N -1.98 3.36 -0.06 -0.62 2.12 0.18 -0.59 118.70 121.10 1qyn s GLU 57 Ca 0.00 -0.55 0.05 0.00 0.36 0.00 0.00 54.97 54.83 1qyn s GLU 57 Cb -0.09 -2.78 -0.00 0.00 0.26 0.00 0.00 34.13 31.53 1qyn s GLU 57 CO 0.02 0.36 -0.22 0.08 -0.54 0.00 0.00 175.26 174.97 1qyn s VAL 58 N 0.02 1.81 -0.12 3.70 1.01 -0.52 -1.41 120.40 124.88 1qyn s VAL 58 Ca -0.01 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.09 1qyn s VAL 58 Cb -0.14 -1.55 0.01 0.00 0.00 0.00 0.00 36.38 34.70 1qyn s VAL 58 CO 0.03 0.51 -0.21 -0.69 0.00 0.00 0.00 175.10 174.74 1qyn s VAL 59 N 0.07 1.91 -0.23 2.92 1.01 -0.51 -1.32 120.40 124.25 1qyn s VAL 59 Ca -0.08 -0.90 -0.05 0.00 0.00 0.00 0.00 61.98 60.95 1qyn s VAL 59 Cb -0.14 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 1qyn s VAL 59 CO 0.04 0.52 -0.02 -0.22 0.00 0.00 0.00 175.10 175.43 1qyn s LEU 60 N 0.68 3.02 -0.28 3.92 0.20 0.16 -2.44 118.68 123.94 1qyn s LEU 60 Ca -0.11 -0.37 -0.09 0.00 0.69 0.00 0.00 54.13 54.25 1qyn s LEU 60 Cb -0.16 -1.78 -0.02 0.00 -0.43 0.00 0.00 46.19 43.80 1qyn s LEU 60 CO 0.02 -0.03 0.11 -0.60 -0.29 0.00 0.00 176.35 175.57 1qyn s ARG 61 N 1.50 3.54 -0.18 1.98 3.52 0.11 -0.58 118.95 128.84 1qyn s ARG 61 Ca 0.06 -0.57 -0.02 0.00 -0.13 0.00 0.00 55.73 55.06 1qyn s ARG 61 Cb -0.14 -3.45 -0.01 0.00 -1.56 0.00 0.00 34.95 29.78 1qyn s ARG 61 CO -0.02 -0.29 -0.08 0.08 -0.81 0.00 0.00 175.30 174.19 1qyn s VAL 62 N 1.62 3.32 -0.12 7.11 1.01 0.35 -1.42 120.40 132.28 1qyn s VAL 62 Ca 0.06 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.53 1qyn s VAL 62 Cb -0.16 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.76 1qyn s VAL 62 CO 0.05 0.47 -0.23 -0.89 0.00 0.00 0.00 175.10 174.51 1qyn s THR 63 N 0.89 2.09 -0.14 3.92 2.01 0.74 -0.98 115.64 124.17 1qyn s THR 63 Ca -0.02 -0.99 0.02 0.00 0.31 0.00 0.00 61.69 61.01 1qyn s THR 63 Cb -0.15 -1.81 0.01 0.00 0.01 0.00 0.00 72.50 70.56 1qyn s THR 63 CO 0.01 0.55 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.58 1qyn s VAL 64 N 0.52 2.08 -0.24 3.82 1.01 0.28 -0.91 120.40 126.95 1qyn s VAL 64 Ca -0.14 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 60.85 1qyn s VAL 64 Cb -0.17 -1.83 0.02 0.00 0.00 0.00 0.00 36.38 34.40 1qyn s VAL 64 CO 0.05 0.55 -0.07 -0.89 0.00 0.00 0.00 175.10 174.74 1qyn s THR 65 N 0.84 2.87 0.06 3.92 2.01 -0.33 -0.07 115.64 124.94 1qyn s THR 65 Ca -0.06 -0.96 0.09 0.00 0.31 0.00 0.00 61.69 61.07 1qyn s THR 65 Cb -0.15 -2.42 -0.03 0.00 0.01 0.00 0.00 72.50 69.91 1qyn s THR 65 CO -0.03 0.25 -0.24 0.00 -0.69 0.00 0.00 174.62 173.91 1qyn s ALA 66 N 1.34 2.08 -0.01 7.40 0.00 0.45 -0.69 121.76 132.33 1qyn s ALA 66 Ca 0.01 -1.23 -0.06 0.00 0.00 0.00 0.00 51.96 50.68 1qyn s ALA 66 Cb -0.16 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.56 1qyn s ALA 66 CO -0.05 0.48 0.13 -1.54 0.00 0.00 0.00 175.76 174.77 1qyn s SER 67 N -1.41 0.01 -0.25 0.00 1.04 -0.55 -0.33 113.70 112.22 1qyn s SER 67 Ca 0.10 -0.13 0.01 0.00 0.48 0.00 0.00 55.95 56.40 1qyn s SER 67 Cb -0.10 0.22 0.04 0.00 0.10 0.00 0.00 66.02 66.28 1qyn s SER 67 CO 0.03 -0.30 -0.10 -0.76 0.98 0.00 0.00 173.24 173.09 1qyn s LEU 68 N -1.11 3.17 0.00 2.42 1.43 0.09 -1.74 118.68 122.93 1qyn s LEU 68 Ca -0.12 -1.07 0.00 0.00 -1.03 0.00 0.00 54.13 51.91 1qyn s LEU 68 Cb -0.07 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.56 1qyn s LEU 68 CO 0.01 -0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.06 1qyn n GLY 69 N 4.57 0.96 1.78 -3.19 0.00 -1.26 -2.71 105.19 105.34 1qyn n GLY 69 Ca -0.16 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 45.06 1qyn n GLY 69 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1qyn n GLU 70 N 12.44 2.70 -4.11 1.61 0.28 -1.26 -4.96 120.64 127.34 1qyn n GLU 70 Ca 0.00 -3.07 -0.13 0.00 -0.16 0.00 0.00 57.16 53.80 1qyn n GLU 70 Cb 0.00 -2.08 -0.11 0.00 1.43 0.00 0.00 31.44 30.68 1qyn n GLU 70 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 1qyn s GLU 71 N -3.15 0.66 0.21 3.44 -1.05 -1.10 -5.12 118.70 112.59 1qyn s GLU 71 Ca 0.52 -0.96 -0.31 0.00 -0.15 0.00 0.00 54.97 54.07 1qyn s GLU 71 Cb 0.44 -0.35 -0.10 0.00 -0.44 0.00 0.00 34.13 33.68 1qyn s GLU 71 CO 0.09 0.05 1.56 0.99 0.95 0.00 0.00 175.26 178.90 1qyn s THR 72 N -2.02 2.49 -0.16 1.83 2.01 -1.26 -0.74 115.64 117.79 1qyn s THR 72 Ca -0.02 0.37 -0.12 0.00 0.31 0.00 0.00 61.69 62.23 1qyn s THR 72 Cb -0.06 -3.24 -0.06 0.00 0.01 0.00 0.00 72.50 69.16 1qyn s THR 72 CO -0.01 0.04 -0.13 0.00 -0.69 0.00 0.00 174.62 173.83 1qyn n ALA 73 N 3.33 0.54 -3.46 7.40 0.00 0.55 -4.49 120.51 124.39 1qyn n ALA 73 Ca 0.12 -0.47 -0.11 0.00 0.00 0.00 0.00 53.44 52.98 1qyn n ALA 73 Cb 0.38 -0.07 -0.02 0.00 0.00 0.00 0.00 19.45 19.75 1qyn n ALA 73 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1qyn s PHE 74 N -2.31 -0.49 -0.04 0.00 -0.12 -0.96 -4.58 117.98 109.48 1qyn s PHE 74 Ca -0.18 0.28 0.05 0.00 -0.05 0.00 0.00 56.93 57.03 1qyn s PHE 74 Cb 0.03 0.57 -0.01 0.00 -0.63 0.00 0.00 43.02 42.98 1qyn s PHE 74 CO 0.29 -0.83 -0.19 -0.51 -0.05 0.00 0.00 175.22 173.93 1qyn s LEU 75 N -2.73 1.96 -0.03 -1.99 1.43 0.14 -0.41 118.68 117.04 1qyn s LEU 75 Ca 0.02 -0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 52.73 1qyn s LEU 75 Cb -0.01 -1.06 0.03 0.00 0.03 0.00 0.00 46.19 45.18 1qyn s LEU 75 CO -0.11 0.18 0.05 0.00 0.23 0.00 0.00 176.35 176.70 1qyn s GLU 77 N 1.32 0.64 -0.05 0.00 2.12 0.72 0.99 118.70 124.44 1qyn s GLU 77 Ca -0.06 -0.43 -0.03 0.00 0.36 0.00 0.00 54.97 54.80 1qyn s GLU 77 Cb -0.13 -0.58 0.02 0.00 0.26 0.00 0.00 34.13 33.70 1qyn s GLU 77 CO -0.03 0.15 0.12 0.08 -0.54 0.00 0.00 175.26 175.04 1qyn s VAL 78 N -0.50 -0.02 -0.35 3.70 1.01 -0.15 -0.97 120.40 123.12 1qyn s VAL 78 Ca 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.03 1qyn s VAL 78 Cb -0.05 -0.19 0.08 0.00 0.00 0.00 0.00 36.38 36.22 1qyn s VAL 78 CO 0.00 0.03 0.10 -1.10 0.00 0.00 0.00 175.10 174.13 1qyn s GLN 79 N 0.46 2.18 -0.35 2.72 -0.21 0.04 -0.50 119.66 124.01 1qyn s GLN 79 Ca -0.03 -1.55 -0.11 0.00 0.02 0.00 0.00 55.36 53.68 1qyn s GLN 79 Cb -0.05 -3.37 0.01 0.00 1.00 0.00 0.00 33.01 30.60 1qyn s GLN 79 CO -0.02 -0.84 0.20 -1.14 -2.12 0.00 0.00 175.29 171.37 1qyn s GLN 80 N 1.19 3.14 0.34 2.91 2.00 0.25 -0.78 119.66 128.71 1qyn s GLN 80 Ca 0.02 -0.87 0.08 0.00 -2.00 0.00 0.00 55.36 52.59 1qyn s GLN 80 Cb -0.21 -3.71 -0.03 0.00 0.80 0.00 0.00 33.01 29.86 1qyn s GLN 80 CO -0.03 -0.56 0.27 0.20 -0.50 0.00 0.00 175.29 174.67 1qyn s GLY 81 N 1.62 1.83 -0.01 2.59 0.00 0.98 -0.67 107.32 113.66 1qyn s GLY 81 Ca 0.04 -1.70 -0.24 0.00 0.00 0.00 0.00 44.72 42.82 1qyn s GLY 81 CO 0.08 -1.62 0.54 -0.32 0.00 0.00 0.00 173.10 171.78 1qyn s GLY 82 N -3.98 -0.43 -0.19 0.20 0.00 -0.43 -0.88 107.32 101.60 1qyn s GLY 82 Ca 0.41 0.85 -0.02 0.00 0.00 0.00 0.00 44.72 45.96 1qyn s GLY 82 CO 0.26 0.55 -0.08 -0.42 0.00 0.00 0.00 173.10 173.41 1qyn s ILE 83 N -1.64 3.19 0.07 0.90 1.01 -0.19 -1.44 121.20 123.10 1qyn s ILE 83 Ca -0.10 -0.57 0.09 0.00 0.00 0.00 0.00 60.65 60.07 1qyn s ILE 83 Cb -0.01 -2.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.01 1qyn s ILE 83 CO 0.05 0.46 -0.24 -0.36 0.00 0.00 0.00 174.94 174.85 1qyn s PHE 84 N 1.13 2.06 -0.33 3.97 0.40 0.24 0.91 117.98 126.37 1qyn s PHE 84 Ca 0.01 -0.39 -0.15 0.00 -0.60 0.00 0.00 56.93 55.80 1qyn s PHE 84 Cb -0.14 -1.20 -0.02 0.00 0.51 0.00 0.00 43.02 42.17 1qyn s PHE 84 CO -0.02 0.16 0.37 -1.12 0.70 0.00 0.00 175.22 175.31 1qyn s SER 85 N -1.44 6.19 -0.09 1.36 0.01 0.12 -1.15 113.70 118.71 1qyn s SER 85 Ca 0.10 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.24 1qyn s SER 85 Cb -0.10 -2.20 0.02 0.00 0.21 0.00 0.00 66.02 63.96 1qyn s SER 85 CO 0.03 -0.31 -0.08 -0.63 0.41 0.00 0.00 173.24 172.66 1qyn s ILE 86 N 2.04 0.93 -0.05 1.44 1.01 0.53 -1.46 121.20 125.65 1qyn s ILE 86 Ca 0.13 -0.28 -0.13 0.00 0.00 0.00 0.00 60.65 60.37 1qyn s ILE 86 Cb -0.16 -0.94 0.02 0.00 0.01 0.00 0.00 42.46 41.39 1qyn s ILE 86 CO 0.11 0.34 0.29 0.00 0.00 0.00 0.00 174.94 175.68 1qyn s ALA 87 N 1.38 -0.73 0.00 9.38 0.00 -0.75 -4.24 121.76 126.80 1qyn s ALA 87 Ca -0.02 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.41 1qyn s ALA 87 Cb -0.14 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.86 1qyn s ALA 87 CO -0.04 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 175.91 1qyn n GLY 88 N 1.85 0.67 3.35 0.00 0.00 -1.26 0.80 105.19 110.60 1qyn n GLY 88 Ca -0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 1qyn n GLY 88 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qyn s ILE 89 N -2.42 2.07 0.23 -0.61 1.01 -1.26 -4.62 121.20 115.61 1qyn s ILE 89 Ca 0.00 -1.65 -0.14 0.00 0.00 0.00 0.00 60.65 58.85 1qyn s ILE 89 Cb 0.00 -1.84 0.00 0.00 0.01 0.00 0.00 42.46 40.63 1qyn s ILE 89 CO 0.00 0.07 0.50 -1.83 0.00 0.00 0.00 174.94 173.68 1qyn s GLU 90 N -1.93 1.51 5.95 2.79 4.04 -1.26 -4.79 118.70 125.02 1qyn s GLU 90 Ca 0.11 -1.14 0.00 0.00 0.04 0.00 0.00 54.97 53.98 1qyn s GLU 90 Cb -0.10 0.49 0.00 0.00 0.02 0.00 0.00 34.13 34.54 1qyn s GLU 90 CO 0.05 -0.64 0.00 0.41 -1.84 0.00 0.00 175.26 173.24 1qyn n GLY 91 N -0.37 3.68 0.20 -3.83 0.00 -1.26 -2.18 105.19 101.42 1qyn n GLY 91 Ca -0.04 0.22 -0.05 0.00 0.00 0.00 0.00 46.02 46.15 1qyn n GLY 91 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1qyn h THR 92 N 0.00 1.33 -0.45 2.61 2.02 -2.00 -2.95 112.91 113.47 1qyn h THR 92 Ca 0.00 -1.67 -0.12 0.00 0.77 0.00 0.00 66.41 65.39 1qyn h THR 92 Cb 0.00 1.74 -0.02 0.00 -1.74 0.00 0.00 68.15 68.13 1qyn h THR 92 CO 0.00 0.51 -0.18 -0.61 0.37 0.00 0.00 175.52 175.60 1qyn h GLN 93 N 0.29 0.88 -0.47 6.66 4.15 -1.86 -2.56 115.11 122.20 1qyn h GLN 93 Ca 0.02 -0.35 -0.14 0.00 0.77 0.00 0.00 58.65 58.96 1qyn h GLN 93 Cb 0.94 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.57 1qyn h GLN 93 CO 0.08 0.99 -0.24 1.98 -1.93 0.00 0.00 178.83 179.71 1qyn h MET 94 N 0.77 0.98 -0.46 1.69 4.05 -1.50 -1.64 114.93 118.81 1qyn h MET 94 Ca 0.11 -0.43 -0.05 0.00 -0.28 0.00 0.00 59.70 59.06 1qyn h MET 94 Cb 0.72 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.47 1qyn h MET 94 CO 0.06 1.10 0.09 0.00 0.23 0.00 0.00 176.91 178.39 1qyn h ALA 95 N 0.88 1.30 -0.00 0.39 0.00 -1.43 -1.59 119.26 118.80 1qyn h ALA 95 Ca 0.10 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.64 1qyn h ALA 95 Cb 0.82 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1qyn h ALA 95 CO 0.07 0.49 -0.83 1.25 0.00 0.00 0.00 179.25 180.23 1qyn h HIS 96 N 0.68 0.22 0.00 0.00 6.17 -1.28 0.79 115.15 121.73 1qyn h HIS 96 Ca 0.15 -0.12 -0.10 0.00 0.71 0.00 0.00 60.37 61.02 1qyn h HIS 96 Cb 0.28 -0.03 -0.01 0.00 2.52 0.00 0.00 27.41 30.17 1qyn h HIS 96 CO 0.01 0.91 -0.46 0.00 0.71 0.00 0.00 177.93 179.10 1qyn h LEU 98 N 0.00 0.53 -0.29 0.00 4.07 -1.19 -0.09 115.31 118.34 1qyn h LEU 98 Ca -0.00 -0.94 0.00 0.00 0.08 0.00 0.00 57.88 57.02 1qyn h LEU 98 Cb 0.92 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.49 1qyn h LEU 98 CO 0.06 1.81 -0.35 0.61 -1.08 0.00 0.00 178.44 179.49 1qyn n GLY 99 N 1.92 -0.88 1.91 0.83 0.00 0.26 -4.35 105.19 104.88 1qyn n GLY 99 Ca -0.28 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1qyn n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qyn n ALA 100 N -1.00 3.00 -0.01 4.61 0.00 -0.10 -4.74 120.51 122.27 1qyn n ALA 100 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.45 1qyn n ALA 100 Cb 0.34 0.03 -0.03 0.00 0.00 0.00 0.00 19.45 19.79 1qyn n ALA 100 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1qyn h TYR 101 N 0.00 -0.25 -0.45 0.00 3.20 -1.40 -0.51 116.97 117.57 1qyn h TYR 101 Ca 0.00 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.81 1qyn h TYR 101 Cb 0.01 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 1qyn h TYR 101 CO 0.00 -0.16 -0.03 0.00 -1.64 0.00 0.00 178.16 176.34 1qyn h PRO 103 N 0.66 1.22 0.00 0.00 0.11 -1.71 -0.69 132.00 131.59 1qyn h PRO 103 Ca 0.12 -0.10 -0.02 0.00 0.11 0.00 0.00 66.00 66.12 1qyn h PRO 103 Cb 0.54 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 31.38 1qyn h PRO 103 CO 0.03 0.84 -0.08 -0.97 -0.21 0.00 0.00 178.00 177.60 1qyn h ASN 104 N 1.24 0.00 0.40 -2.05 -0.73 -0.92 -0.87 115.58 112.64 1qyn h ASN 104 Ca 0.33 0.00 -0.24 0.00 1.87 0.00 0.00 56.30 58.26 1qyn h ASN 104 Cb -0.09 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.51 1qyn h ASN 104 CO -0.07 0.08 -1.01 0.40 -0.37 0.00 0.00 177.43 176.46 1qyn h ILE 105 N 0.00 1.42 0.00 2.57 1.08 -0.72 -3.32 117.51 118.54 1qyn h ILE 105 Ca -0.00 -2.58 -0.08 0.00 -0.39 0.00 0.00 64.86 61.81 1qyn h ILE 105 Cb 0.17 2.54 -0.01 0.00 -3.07 0.00 0.00 36.82 36.44 1qyn h ILE 105 CO 0.01 0.76 -0.40 -0.07 -0.69 0.00 0.00 178.15 177.77 1qyn h LEU 106 N 0.20 0.00 -0.58 1.44 3.38 -0.10 -3.37 115.31 116.28 1qyn h LEU 106 Ca -0.09 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.95 1qyn h LEU 106 Cb 1.67 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.35 1qyn h LEU 106 CO 0.17 0.40 0.24 0.15 0.09 0.00 0.00 178.44 179.50 1qyn h PHE 107 N 0.00 0.43 -0.81 1.13 3.57 -1.31 -2.01 116.94 117.94 1qyn h PHE 107 Ca -0.00 0.03 0.15 0.00 3.53 0.00 0.00 57.97 61.67 1qyn h PHE 107 Cb 1.21 -0.11 -0.10 0.00 2.79 0.00 0.00 35.95 39.75 1qyn h PHE 107 CO 0.00 0.15 0.38 -1.35 -2.23 0.00 0.00 178.31 175.26 1qyn h PRO 108 N 0.45 0.52 -0.16 6.41 0.11 -1.78 0.12 132.00 137.67 1qyn h PRO 108 Ca 0.28 -0.03 -0.20 0.00 0.11 0.00 0.00 66.00 66.16 1qyn h PRO 108 Cb 0.28 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.28 1qyn h PRO 108 CO -0.25 0.35 -0.69 1.88 -0.21 0.00 0.00 178.00 179.08 1qyn h TYR 109 N 0.54 0.89 -0.75 0.65 -1.99 -1.70 -2.60 116.97 112.02 1qyn h TYR 109 Ca 0.45 -0.37 -0.05 0.00 2.00 0.00 0.00 58.73 60.76 1qyn h TYR 109 Cb 0.66 -0.15 -0.03 0.00 2.00 0.00 0.00 36.73 39.21 1qyn h TYR 109 CO -0.12 1.17 0.28 0.00 -0.00 0.00 0.00 178.16 179.49 1qyn h ALA 110 N 0.74 0.97 0.15 3.88 0.00 -0.45 -2.04 119.26 122.51 1qyn h ALA 110 Ca -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1qyn h ALA 110 Cb 1.29 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1qyn h ALA 110 CO 0.14 0.61 -0.07 -0.09 0.00 0.00 0.00 179.25 179.83 1qyn h ARG 111 N 1.08 -0.19 -0.97 0.00 2.43 -0.79 -0.76 114.38 115.18 1qyn h ARG 111 Ca 0.25 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.51 1qyn h ARG 111 Cb 0.23 0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.76 1qyn h ARG 111 CO -0.02 -0.11 0.62 1.49 -1.51 0.00 0.00 179.97 180.43 1qyn h GLU 112 N -0.22 1.06 -0.48 0.20 4.22 -1.39 0.16 114.58 118.13 1qyn h GLU 112 Ca -0.02 -0.06 -0.02 0.00 0.08 0.00 0.00 59.36 59.34 1qyn h GLU 112 Cb 0.17 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1qyn h GLU 112 CO 0.03 0.70 0.22 0.00 -2.18 0.00 0.00 179.01 177.78 1qyn h ILE 114 N 0.63 1.27 -0.42 0.00 2.04 -0.35 -2.47 117.51 118.20 1qyn h ILE 114 Ca 0.16 -1.08 0.07 0.00 1.00 0.00 0.00 64.86 65.01 1qyn h ILE 114 Cb 0.14 1.16 -0.06 0.00 -0.74 0.00 0.00 36.82 37.31 1qyn h ILE 114 CO -0.02 0.36 0.07 0.74 0.00 0.00 0.00 178.15 179.30 1qyn h THR 115 N 0.56 0.76 -0.94 -0.27 2.02 -0.56 -0.31 112.91 114.16 1qyn h THR 115 Ca 0.11 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 1qyn h THR 115 Cb 0.53 0.54 -0.05 0.00 -1.74 0.00 0.00 68.15 67.44 1qyn h THR 115 CO 0.03 0.04 0.56 -1.28 0.37 0.00 0.00 175.52 175.23 1qyn h SER 116 N 0.19 1.14 0.43 4.18 0.87 -1.14 -0.51 113.55 118.71 1qyn h SER 116 Ca 0.21 -0.07 -0.22 0.00 -1.23 0.00 0.00 61.79 60.48 1qyn h SER 116 Cb 0.27 -0.29 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1qyn h SER 116 CO -0.29 0.88 -0.94 0.24 -0.53 0.00 0.00 176.83 176.19 1qyn h MET 117 N 1.30 0.33 -0.64 2.24 2.07 -1.06 -0.86 114.93 118.31 1qyn h MET 117 Ca 0.34 -0.37 -0.08 0.00 -2.07 0.00 0.00 59.70 57.51 1qyn h MET 117 Cb -0.05 0.11 -0.02 0.00 -1.87 0.00 0.00 31.60 29.77 1qyn h MET 117 CO -0.06 1.07 0.09 0.28 1.07 0.00 0.00 176.91 179.35 1qyn h VAL 118 N 0.18 1.26 -0.37 -2.22 2.07 -0.77 -0.77 116.25 115.64 1qyn h VAL 118 Ca -0.07 -1.05 -0.10 0.00 0.82 0.00 0.00 66.70 66.30 1qyn h VAL 118 Cb 1.58 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 1qyn h VAL 118 CO 0.16 0.39 -0.17 -1.28 0.02 0.00 0.00 177.57 176.68 1qyn h SER 119 N 0.99 0.68 0.64 0.57 0.87 -1.00 -1.51 113.55 114.79 1qyn h SER 119 Ca 0.19 -0.22 -0.04 0.00 -1.23 0.00 0.00 61.79 60.49 1qyn h SER 119 Cb 0.46 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 1qyn h SER 119 CO 0.02 0.86 -0.21 0.03 -0.53 0.00 0.00 176.83 177.00 1qyn h ARG 120 N 0.61 0.00 -0.00 2.24 3.08 -0.72 -1.53 114.38 118.06 1qyn h ARG 120 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1qyn h ARG 120 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1qyn h ARG 120 CO 0.04 0.21 -0.03 0.41 -1.07 0.00 0.00 179.97 179.53 1qyn n GLY 121 N -0.23 -1.40 2.59 0.04 0.00 -0.33 -4.92 105.19 100.93 1qyn n GLY 121 Ca -0.01 -0.13 -0.15 0.00 0.00 0.00 0.00 46.02 45.73 1qyn n GLY 121 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qyn n THR 122 N -1.42 -1.36 -3.51 2.61 -2.24 -0.58 -5.06 114.28 102.73 1qyn n THR 122 Ca 0.09 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.68 1qyn n THR 122 Cb 0.31 -2.67 -0.01 0.00 -2.10 0.00 0.00 70.33 65.86 1qyn n THR 122 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1qyn s PHE 123 N -2.97 3.08 0.64 4.78 0.40 -1.00 -5.04 117.98 117.88 1qyn s PHE 123 Ca 0.21 -0.23 -0.18 0.00 -0.60 0.00 0.00 56.93 56.13 1qyn s PHE 123 Cb -0.09 -1.97 -0.03 0.00 0.51 0.00 0.00 43.02 41.44 1qyn s PHE 123 CO 0.26 0.01 1.02 -2.30 0.70 0.00 0.00 175.22 174.91 1qyn n PRO 124 N -1.61 0.82 -1.67 0.24 -0.02 -1.26 -4.56 135.00 126.95 1qyn n PRO 124 Ca -0.00 0.33 -0.42 0.00 -2.02 0.00 0.00 63.50 61.39 1qyn n PRO 124 Cb 0.58 -2.25 0.01 0.00 -0.02 0.00 0.00 33.50 31.82 1qyn n PRO 124 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1qyn n GLN 125 N -1.41 1.79 -3.89 -0.52 7.27 -1.26 -4.86 117.38 114.50 1qyn n GLN 125 Ca 0.14 0.64 -0.27 0.00 0.07 0.00 0.00 57.00 57.58 1qyn n GLN 125 Cb 0.48 -2.25 -0.17 0.00 2.41 0.00 0.00 30.24 30.71 1qyn n GLN 125 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 1qyn s LEU 126 N -1.12 1.33 -0.30 1.69 2.96 -1.26 -5.09 118.68 116.90 1qyn s LEU 126 Ca 0.60 -0.45 0.02 0.00 -0.22 0.00 0.00 54.13 54.08 1qyn s LEU 126 Cb -0.55 -0.85 0.09 0.00 0.50 0.00 0.00 46.19 45.39 1qyn s LEU 126 CO 0.59 -0.15 0.03 0.20 -1.32 0.00 0.00 176.35 175.69 1qyn s ASN 127 N 1.69 4.36 0.30 3.68 0.01 -1.26 -4.11 114.94 119.61 1qyn s ASN 127 Ca 0.03 -1.77 -0.29 0.00 -0.71 0.00 0.00 52.86 50.12 1qyn s ASN 127 Cb -0.14 -1.33 -0.13 0.00 0.41 0.00 0.00 41.25 40.07 1qyn s ASN 127 CO -0.08 -0.35 1.33 0.18 -1.51 0.00 0.00 177.10 176.67 1qyn n LEU 128 N 4.51 3.30 -4.77 0.60 4.77 -1.26 -4.94 117.00 119.20 1qyn n LEU 128 Ca -0.02 1.18 -0.38 0.00 -0.03 0.00 0.00 56.01 56.76 1qyn n LEU 128 Cb 0.42 -1.45 -0.02 0.00 -2.33 0.00 0.00 43.42 40.04 1qyn n LEU 128 CO 0.18 -0.52 0.82 0.00 -1.33 0.00 0.00 177.39 176.54 1qyn s ALA 129 N -0.66 3.13 0.86 -1.18 0.00 -1.26 -4.99 121.76 117.66 1qyn s ALA 129 Ca 0.61 0.92 -0.13 0.00 0.00 0.00 0.00 51.96 53.35 1qyn s ALA 129 Cb -0.60 -3.36 0.03 0.00 0.00 0.00 0.00 23.12 19.19 1qyn s ALA 129 CO 0.57 -0.48 0.64 -2.30 0.00 0.00 0.00 175.76 174.18 1qyn n PRO 130 N 0.01 -0.06 -4.42 0.00 -0.02 -1.26 -5.01 135.00 124.24 1qyn n PRO 130 Ca 0.05 0.04 -0.22 0.00 -2.02 0.00 0.00 63.50 61.34 1qyn n PRO 130 Cb 0.47 -1.99 -0.16 0.00 -0.02 0.00 0.00 33.50 31.80 1qyn n PRO 130 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1qyn s VAL 131 N -2.24 0.86 -0.83 -1.45 1.01 -1.26 -5.08 120.40 111.41 1qyn s VAL 131 Ca 0.63 -0.35 -0.20 0.00 0.00 0.00 0.00 61.98 62.05 1qyn s VAL 131 Cb -0.26 -0.79 0.11 0.00 0.00 0.00 0.00 36.38 35.43 1qyn s VAL 131 CO 0.61 0.28 1.06 0.21 0.00 0.00 0.00 175.10 177.27 1qyn s ASN 132 N 0.51 6.46 0.48 3.32 2.47 -1.26 -4.87 114.94 122.05 1qyn s ASN 132 Ca -0.09 -1.67 0.24 0.00 0.42 0.00 0.00 52.86 51.76 1qyn s ASN 132 Cb -0.13 -2.40 1.20 0.00 -1.45 0.00 0.00 41.25 38.47 1qyn s ASN 132 CO 0.02 -1.20 1.97 -0.26 -3.72 0.00 0.00 177.10 173.91 1qyn h PHE 133 N 9.11 0.00 -0.61 0.43 -1.00 -1.96 -2.60 116.94 120.32 1qyn h PHE 133 Ca -0.00 0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.81 1qyn h PHE 133 Cb 1.04 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.56 1qyn h PHE 133 CO 1.09 0.19 0.35 -0.44 -1.61 0.00 0.00 178.31 177.89 1qyn h ASP 134 N 0.00 0.55 -0.41 2.17 3.32 -1.89 0.15 116.42 120.31 1qyn h ASP 134 Ca -0.00 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 1qyn h ASP 134 Cb 0.50 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1qyn h ASP 134 CO 0.02 0.38 -0.09 0.00 -1.72 0.00 0.00 179.24 177.83 1qyn h ALA 135 N 1.29 0.56 0.00 3.45 0.00 -1.89 -1.92 119.26 120.75 1qyn h ALA 135 Ca 0.26 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1qyn h ALA 135 Cb 0.08 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1qyn h ALA 135 CO -0.13 0.42 -0.15 -0.07 0.00 0.00 0.00 179.25 179.32 1qyn h LEU 136 N 0.60 0.00 0.00 0.00 3.38 -1.10 -1.97 115.31 116.22 1qyn h LEU 136 Ca 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1qyn h LEU 136 Cb 0.61 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 1qyn h LEU 136 CO 0.04 0.15 -0.00 0.15 0.09 0.00 0.00 178.44 178.87 1qyn h PHE 137 N 0.00 0.00 -0.82 1.13 3.57 -0.51 -2.83 116.94 117.47 1qyn h PHE 137 Ca -0.00 0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.64 1qyn h PHE 137 Cb 0.30 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 38.98 1qyn h PHE 137 CO 0.00 0.81 0.54 0.52 -2.23 0.00 0.00 178.31 177.95 1qyn h MET 138 N -1.00 0.54 -0.05 1.11 2.86 -1.27 0.58 114.93 117.69 1qyn h MET 138 Ca -0.00 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.49 1qyn h MET 138 Cb 0.81 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 1qyn h MET 138 CO -0.00 0.36 -0.51 -0.91 1.06 0.00 0.00 176.91 176.91 1qyn h ASN 139 N 0.56 0.15 -0.39 1.22 4.21 -1.45 -2.64 115.58 117.24 1qyn h ASN 139 Ca 0.41 -0.07 -0.10 0.00 1.21 0.00 0.00 56.30 57.74 1qyn h ASN 139 Cb 0.77 -0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 37.92 1qyn h ASN 139 CO -0.16 0.64 -0.15 0.22 -1.29 0.00 0.00 177.43 176.69 1qyn h TYR 140 N 0.11 0.90 0.01 1.19 3.20 0.33 -3.25 116.97 119.45 1qyn h TYR 140 Ca 0.00 -0.21 -0.00 0.00 3.14 0.00 0.00 58.73 61.66 1qyn h TYR 140 Cb 0.94 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.00 1qyn h TYR 140 CO 0.01 0.95 -0.00 -0.07 -1.64 0.00 0.00 178.16 177.41 1qyn h LEU 141 N 0.60 -0.01 -1.39 2.82 4.07 -0.83 -2.36 115.31 118.21 1qyn h LEU 141 Ca 0.09 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.98 1qyn h LEU 141 Cb 0.69 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.43 1qyn h LEU 141 CO 0.05 0.07 0.00 0.00 -1.08 0.00 0.00 178.44 177.48 1qyn n GLN 142 N -5.06 0.48 -3.11 1.13 10.64 -1.01 -3.52 117.38 116.93 1qyn n GLN 142 Ca -0.07 0.00 -0.21 0.00 -1.83 0.00 0.00 57.00 54.89 1qyn n GLN 142 Cb 0.07 -1.25 -0.05 0.00 -0.86 0.00 0.00 30.24 28.15 1qyn n GLN 142 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 1qyn n GLN 143 N 0.45 0.71 0.00 2.61 1.13 -0.89 -5.06 117.38 116.33 1qyn n GLN 143 Ca 0.00 -2.94 0.00 0.00 -1.94 0.00 0.00 57.00 52.12 1qyn n GLN 143 Cb 0.17 -1.27 0.00 0.00 0.11 0.00 0.00 30.24 29.25 1qyn n GLN 143 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56