#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 3.97 -0.08 1.12 2.01 0.49 -4.99 115.64 118.17 1qyn s THR 10 Ca 0.00 -2.04 -0.03 0.00 0.31 0.00 0.00 61.69 59.94 1qyn s THR 10 Cb 0.00 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 1qyn s THR 10 CO 0.00 -0.78 0.04 0.12 -0.69 0.00 0.00 174.62 173.31 1qyn s PHE 11 N 1.07 3.27 -0.28 4.92 5.36 -1.26 -2.55 117.98 128.51 1qyn s PHE 11 Ca 0.08 0.27 -0.12 0.00 -0.96 0.00 0.00 56.93 56.20 1qyn s PHE 11 Cb -0.24 -1.81 0.11 0.00 -0.34 0.00 0.00 43.02 40.74 1qyn s PHE 11 CO -0.02 0.54 0.63 -1.14 -1.46 0.00 0.00 175.22 173.77 1qyn s GLN 12 N -1.04 0.60 -0.17 10.12 0.74 -0.88 -4.99 119.66 124.04 1qyn s GLN 12 Ca 0.15 1.31 -0.29 0.00 0.05 0.00 0.00 55.36 56.58 1qyn s GLN 12 Cb -0.12 0.52 -0.01 0.00 1.10 0.00 0.00 33.01 34.51 1qyn s GLN 12 CO 0.04 -0.18 1.16 0.42 -0.55 0.00 0.00 175.29 176.18 1qyn s ILE 13 N 2.35 4.45 -0.13 -2.34 1.01 -1.26 -1.20 121.20 124.08 1qyn s ILE 13 Ca -0.07 1.76 0.17 0.00 0.00 0.00 0.00 60.65 62.50 1qyn s ILE 13 Cb -0.09 -4.13 -0.23 0.00 0.01 0.00 0.00 42.46 38.01 1qyn s ILE 13 CO -0.19 -0.13 0.40 0.00 0.00 0.00 0.00 174.94 175.03 1qyn n GLN 14 N 6.25 0.66 -3.64 2.79 1.13 0.14 -4.97 117.38 119.74 1qyn n GLN 14 Ca 0.13 0.09 -0.03 0.00 -1.94 0.00 0.00 57.00 55.24 1qyn n GLN 14 Cb 0.46 -1.64 -0.05 0.00 0.11 0.00 0.00 30.24 29.12 1qyn n GLN 14 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1qyn s ARG 15 N -2.71 0.10 -0.04 -1.09 3.52 -1.13 -4.94 118.95 112.66 1qyn s ARG 15 Ca -0.07 0.05 0.01 0.00 -0.13 0.00 0.00 55.73 55.60 1qyn s ARG 15 Cb 0.08 0.05 0.02 0.00 -1.56 0.00 0.00 34.95 33.54 1qyn s ARG 15 CO 0.83 -0.03 -0.06 0.42 -0.81 0.00 0.00 175.30 175.66 1qyn s ILE 16 N -0.66 0.59 -0.04 4.11 1.01 -1.26 -0.47 121.20 124.48 1qyn s ILE 16 Ca 0.08 -0.18 -0.29 0.00 0.00 0.00 0.00 60.65 60.25 1qyn s ILE 16 Cb -0.02 -0.59 0.08 0.00 0.01 0.00 0.00 42.46 41.94 1qyn s ILE 16 CO -0.10 0.23 0.75 -0.72 0.00 0.00 0.00 174.94 175.10 1qyn s TYR 17 N 0.71 -0.56 -0.20 3.97 -0.85 -0.44 -4.98 117.35 115.00 1qyn s TYR 17 Ca -0.10 0.85 -0.19 0.00 -0.52 0.00 0.00 57.07 57.11 1qyn s TYR 17 Cb -0.13 0.45 -0.03 0.00 0.38 0.00 0.00 41.96 42.63 1qyn s TYR 17 CO 0.01 -0.59 0.55 0.95 -1.52 0.00 0.00 175.55 174.95 1qyn s THR 18 N -1.68 5.08 -0.14 -3.49 -4.23 -1.26 0.11 115.64 110.02 1qyn s THR 18 Ca -0.06 1.02 0.16 0.00 -1.18 0.00 0.00 61.69 61.63 1qyn s THR 18 Cb -0.00 -3.87 -0.05 0.00 1.34 0.00 0.00 72.50 69.92 1qyn s THR 18 CO 0.04 0.15 1.10 0.11 -0.54 0.00 0.00 174.62 175.47 1qyn h LYS 19 N 7.50 0.00 -2.14 3.99 1.57 -1.35 -3.47 116.57 122.67 1qyn h LYS 19 Ca -0.33 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.41 1qyn h LYS 19 Cb 1.15 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.24 1qyn h LYS 19 CO 0.75 0.36 0.04 0.34 -0.57 0.00 0.00 179.45 180.38 1qyn s ASP 20 N -6.04 -0.72 -0.01 0.86 -1.08 -1.17 -4.99 116.67 103.52 1qyn s ASP 20 Ca 0.00 1.35 0.00 0.00 -0.52 0.00 0.00 52.55 53.38 1qyn s ASP 20 Cb 0.08 1.34 0.01 0.00 -1.46 0.00 0.00 42.92 42.89 1qyn s ASP 20 CO 0.78 -0.23 -0.00 -0.63 0.52 0.00 0.00 175.17 175.61 1qyn s ILE 21 N 0.57 0.08 -0.12 4.11 1.01 -1.26 -0.91 121.20 124.68 1qyn s ILE 21 Ca -0.02 0.02 -0.06 0.00 0.00 0.00 0.00 60.65 60.59 1qyn s ILE 21 Cb -0.05 -0.12 0.05 0.00 0.01 0.00 0.00 42.46 42.35 1qyn s ILE 21 CO -0.03 0.06 0.29 -0.55 0.00 0.00 0.00 174.94 174.71 1qyn s SER 22 N 0.37 -0.31 -0.03 3.58 0.15 -0.66 -5.01 113.70 111.78 1qyn s SER 22 Ca -0.03 0.62 0.01 0.00 0.70 0.00 0.00 55.95 57.25 1qyn s SER 22 Cb -0.05 0.51 0.02 0.00 -1.71 0.00 0.00 66.02 64.79 1qyn s SER 22 CO -0.01 -0.17 -0.02 0.12 1.20 0.00 0.00 173.24 174.35 1qyn s PHE 23 N 1.33 0.49 -0.02 3.44 5.36 -1.26 -1.22 117.98 126.11 1qyn s PHE 23 Ca -0.09 -0.09 0.00 0.00 -0.96 0.00 0.00 56.93 55.79 1qyn s PHE 23 Cb -0.10 -0.49 0.02 0.00 -0.34 0.00 0.00 43.02 42.11 1qyn s PHE 23 CO -0.10 -0.14 0.02 -1.21 -1.46 0.00 0.00 175.22 172.33 1qyn s GLU 24 N 0.85 0.01 -0.50 10.12 2.02 -0.37 -4.98 118.70 125.85 1qyn s GLU 24 Ca -0.10 0.12 0.04 0.00 0.02 0.00 0.00 54.97 55.06 1qyn s GLU 24 Cb -0.13 -0.21 0.17 0.00 0.10 0.00 0.00 34.13 34.06 1qyn s GLU 24 CO -0.01 -0.12 0.38 0.00 0.02 0.00 0.00 175.26 175.53 1qyn s ALA 25 N 0.77 2.15 0.23 5.21 0.00 -1.26 -0.74 121.76 128.12 1qyn s ALA 25 Ca -0.07 -2.86 -0.09 0.00 0.00 0.00 0.00 51.96 48.95 1qyn s ALA 25 Cb -0.09 -1.78 0.38 0.00 0.00 0.00 0.00 23.12 21.62 1qyn s ALA 25 CO -0.02 -2.02 1.64 -1.35 0.00 0.00 0.00 175.76 174.01 1qyn h PRO 26 N 5.66 0.10 -0.83 0.00 0.11 -1.85 -1.72 132.00 133.47 1qyn h PRO 26 Ca 0.21 -0.01 -0.50 0.00 0.11 0.00 0.00 66.00 65.82 1qyn h PRO 26 Cb 0.86 -0.02 -0.27 0.00 0.11 0.00 0.00 31.00 31.68 1qyn h PRO 26 CO 0.48 0.07 0.42 0.09 -0.21 0.00 0.00 178.00 178.84 1qyn n ASN 27 N -5.33 4.77 -0.30 -2.05 4.13 -1.26 -4.84 115.26 110.38 1qyn n ASN 27 Ca 0.12 -3.72 -0.09 0.00 1.68 0.00 0.00 54.58 52.56 1qyn n ASN 27 Cb 0.43 -0.79 -0.08 0.00 -1.54 0.00 0.00 39.78 37.80 1qyn n ASN 27 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1qyn h ALA 28 N 1.41 -0.48 -1.02 5.41 0.00 -1.62 0.11 119.26 123.09 1qyn h ALA 28 Ca 0.51 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.50 1qyn h ALA 28 Cb 1.86 1.27 0.00 0.00 0.00 0.00 0.00 17.79 20.91 1qyn h ALA 28 CO 1.07 -0.80 0.00 -2.30 0.00 0.00 0.00 179.25 177.22 1qyn n PRO 29 N -4.82 0.00 -0.26 0.00 -0.02 -1.26 -2.96 135.00 125.69 1qyn n PRO 29 Ca 0.01 0.57 0.07 0.00 -2.02 0.00 0.00 63.50 62.13 1qyn n PRO 29 Cb 0.22 -1.33 0.19 0.00 -0.02 0.00 0.00 33.50 32.56 1qyn n PRO 29 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1qyn h HIS 30 N 0.00 0.23 0.00 6.00 -0.00 -1.93 -1.30 115.15 118.14 1qyn h HIS 30 Ca 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.42 1qyn h HIS 30 Cb 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.43 1qyn h HIS 30 CO -0.22 -0.13 0.15 -0.24 -0.00 0.00 0.00 177.93 177.48 1qyn h VAL 31 N 0.23 0.00 0.00 5.26 3.04 -0.71 -1.96 116.25 122.11 1qyn h VAL 31 Ca 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.13 1qyn h VAL 31 Cb 0.77 0.73 0.00 0.00 -2.01 0.00 0.00 31.29 30.78 1qyn h VAL 31 CO -0.56 0.00 0.00 -0.26 -1.01 0.00 0.00 177.57 175.74 1qyn h PHE 32 N 0.00 0.00 -0.53 3.17 0.04 -1.12 -2.97 116.94 115.53 1qyn h PHE 32 Ca 0.00 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.54 1qyn h PHE 32 Cb 0.29 0.00 -0.13 0.00 2.20 0.00 0.00 35.95 38.31 1qyn h PHE 32 CO 0.00 0.00 0.14 0.00 -0.60 0.00 0.00 178.31 177.85 1qyn n GLN 33 N -3.05 2.39 -4.05 1.51 10.64 -0.74 -4.98 117.38 119.09 1qyn n GLN 33 Ca 0.01 -3.08 -0.24 0.00 -1.83 0.00 0.00 57.00 51.86 1qyn n GLN 33 Cb 0.31 -1.96 -0.04 0.00 -0.86 0.00 0.00 30.24 27.69 1qyn n GLN 33 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.06 175.44 1qyn s LYS 34 N -3.15 3.08 -0.33 2.61 2.47 -1.12 -5.05 119.74 118.24 1qyn s LYS 34 Ca 0.48 -0.87 -0.28 0.00 -1.56 0.00 0.00 55.97 53.74 1qyn s LYS 34 Cb 0.42 -2.71 -0.02 0.00 -1.46 0.00 0.00 37.83 34.06 1qyn s LYS 34 CO 0.06 0.46 1.83 0.34 0.16 0.00 0.00 175.35 178.19 1qyn s ASP 35 N -3.49 5.84 -0.88 1.43 2.15 -1.26 -4.90 116.67 115.56 1qyn s ASP 35 Ca 0.33 1.32 -0.25 0.00 0.43 0.00 0.00 52.55 54.37 1qyn s ASP 35 Cb -0.09 -2.52 -0.10 0.00 -0.30 0.00 0.00 42.92 39.90 1qyn s ASP 35 CO 0.26 -1.75 2.16 0.86 -0.17 0.00 0.00 175.17 176.53 1qyn s TRP 36 N 7.05 1.48 -0.38 -5.34 -0.11 -1.26 -4.70 118.94 115.68 1qyn s TRP 36 Ca 0.81 1.34 0.11 0.00 1.22 0.00 0.00 56.10 59.58 1qyn s TRP 36 Cb -0.23 -3.73 0.35 0.00 -1.50 0.00 0.00 33.47 28.37 1qyn s TRP 36 CO 0.33 -1.57 0.80 0.94 -4.62 0.00 0.00 176.95 172.83 1qyn n GLN 37 N 8.77 0.99 -1.68 5.86 -0.06 -1.26 -5.14 117.38 124.85 1qyn n GLN 37 Ca 0.43 -3.16 -0.32 0.00 -2.00 0.00 0.00 57.00 51.95 1qyn n GLN 37 Cb 0.45 -1.58 0.04 0.00 -4.06 0.00 0.00 30.24 25.10 1qyn n GLN 37 CO 0.00 0.00 0.00 -2.14 -0.20 0.00 0.00 177.06 174.72 1qyn s PRO 38 N -2.08 2.92 -0.52 3.69 0.02 -1.26 -4.75 135.00 133.02 1qyn s PRO 38 Ca 0.37 1.12 -0.04 0.00 0.02 0.00 0.00 61.00 62.46 1qyn s PRO 38 Cb 0.35 -1.98 0.14 0.00 0.02 0.00 0.00 34.50 33.02 1qyn s PRO 38 CO -0.07 -1.12 0.34 -2.00 -0.33 0.00 0.00 177.00 173.82 1qyn s GLU 39 N -4.62 2.36 -0.20 5.54 2.12 0.11 -4.90 118.70 119.10 1qyn s GLU 39 Ca 0.61 -2.14 -0.28 0.00 0.36 0.00 0.00 54.97 53.52 1qyn s GLU 39 Cb -0.16 -3.72 0.00 0.00 0.26 0.00 0.00 34.13 30.51 1qyn s GLU 39 CO 0.48 -1.14 0.98 0.08 -0.54 0.00 0.00 175.26 175.12 1qyn s VAL 40 N 0.62 4.74 -0.16 3.70 1.01 -1.26 -3.03 120.40 126.02 1qyn s VAL 40 Ca 0.12 1.92 -0.01 0.00 0.00 0.00 0.00 61.98 64.02 1qyn s VAL 40 Cb -0.22 -4.26 -0.01 0.00 0.00 0.00 0.00 36.38 31.89 1qyn s VAL 40 CO -0.04 -0.11 -0.12 -0.54 0.00 0.00 0.00 175.10 174.29 1qyn s LYS 41 N 2.83 3.31 -0.02 2.72 1.02 0.54 -4.96 119.74 125.18 1qyn s LYS 41 Ca 0.43 -0.70 0.02 0.00 0.02 0.00 0.00 55.97 55.73 1qyn s LYS 41 Cb -0.16 -2.70 -0.03 0.00 -0.52 0.00 0.00 37.83 34.42 1qyn s LYS 41 CO 0.09 0.04 -0.03 -1.17 -0.92 0.00 0.00 175.35 173.36 1qyn s LEU 42 N 0.78 3.36 -0.03 3.17 2.96 -1.26 -0.98 118.68 126.68 1qyn s LEU 42 Ca -0.05 -0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 53.81 1qyn s LEU 42 Cb -0.15 -1.88 0.03 0.00 0.50 0.00 0.00 46.19 44.69 1qyn s LEU 42 CO 0.01 0.30 0.06 -0.62 -1.32 0.00 0.00 176.35 174.78 1qyn s ASP 43 N -1.33 0.39 -0.08 3.68 2.15 0.01 -4.99 116.67 116.51 1qyn s ASP 43 Ca 0.17 0.10 0.02 0.00 0.43 0.00 0.00 52.55 53.27 1qyn s ASP 43 Cb -0.11 -0.04 -0.02 0.00 -0.30 0.00 0.00 42.92 42.45 1qyn s ASP 43 CO 0.07 -0.17 -0.15 -0.76 -0.17 0.00 0.00 175.17 173.99 1qyn s LEU 44 N 1.47 2.64 0.01 -1.34 1.43 -1.26 -0.76 118.68 120.87 1qyn s LEU 44 Ca -0.04 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 1qyn s LEU 44 Cb -0.12 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.53 1qyn s LEU 44 CO -0.04 0.26 -0.03 -0.62 0.23 0.00 0.00 176.35 176.15 1qyn s ASP 45 N -0.23 0.35 -0.02 2.29 2.15 -0.26 -5.00 116.67 115.95 1qyn s ASP 45 Ca 0.01 -0.19 0.01 0.00 0.43 0.00 0.00 52.55 52.81 1qyn s ASP 45 Cb -0.13 0.00 0.01 0.00 -0.30 0.00 0.00 42.92 42.50 1qyn s ASP 45 CO 0.03 -0.06 -0.04 0.28 -0.17 0.00 0.00 175.17 175.21 1qyn s THR 46 N -0.47 0.39 0.09 1.71 -1.32 -1.26 -0.01 115.64 114.76 1qyn s THR 46 Ca -0.03 -0.13 0.02 0.00 -1.21 0.00 0.00 61.69 60.34 1qyn s THR 46 Cb -0.04 -0.39 -0.04 0.00 -1.51 0.00 0.00 72.50 70.53 1qyn s THR 46 CO -0.00 0.15 -0.08 0.00 -2.21 0.00 0.00 174.62 172.49 1qyn s ALA 47 N 0.42 0.94 0.12 11.08 0.00 -0.56 -5.02 121.76 128.75 1qyn s ALA 47 Ca -0.05 -1.22 -0.06 0.00 0.00 0.00 0.00 51.96 50.63 1qyn s ALA 47 Cb -0.08 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 1qyn s ALA 47 CO -0.00 -0.15 0.18 -1.54 0.00 0.00 0.00 175.76 174.24 1qyn s SER 48 N -2.67 0.16 -0.13 0.00 1.04 -1.26 -0.92 113.70 109.92 1qyn s SER 48 Ca 0.07 -0.89 -0.30 0.00 0.48 0.00 0.00 55.95 55.31 1qyn s SER 48 Cb 0.01 0.36 0.11 0.00 0.10 0.00 0.00 66.02 66.60 1qyn s SER 48 CO -0.03 -0.78 0.91 -0.94 0.98 0.00 0.00 173.24 173.38 1qyn s SER 49 N -2.95 -0.46 0.11 7.02 1.04 -0.49 -5.00 113.70 112.98 1qyn s SER 49 Ca 0.14 0.51 -0.23 0.00 0.48 0.00 0.00 55.95 56.85 1qyn s SER 49 Cb 0.05 0.40 -0.07 0.00 0.10 0.00 0.00 66.02 66.50 1qyn s SER 49 CO -0.04 -0.41 0.70 -1.58 0.98 0.00 0.00 173.24 172.90 1qyn s GLN 50 N -1.08 4.44 -0.19 4.02 0.74 -1.26 -0.27 119.66 126.07 1qyn s GLN 50 Ca -0.04 1.00 0.04 0.00 0.05 0.00 0.00 55.36 56.40 1qyn s GLN 50 Cb -0.00 -3.28 -0.14 0.00 1.10 0.00 0.00 33.01 30.69 1qyn s GLN 50 CO 0.04 0.53 -0.13 1.28 -0.55 0.00 0.00 175.29 176.46 1qyn n LEU 51 N 1.90 2.39 0.00 3.68 4.77 0.65 -4.89 117.00 125.50 1qyn n LEU 51 Ca -0.07 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1qyn n LEU 51 Cb 0.50 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1qyn n LEU 51 CO 0.45 0.74 0.00 0.00 -1.33 0.00 0.00 177.39 177.25 1qyn n ALA 52 N -2.97 0.00 -1.74 -1.18 0.00 -1.07 -5.03 120.51 108.52 1qyn n ALA 52 Ca -0.33 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.69 1qyn n ALA 52 Cb 0.90 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.32 1qyn n ALA 52 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1qyn s ASP 53 N -0.45 6.49 -1.12 0.00 2.15 -1.26 -2.45 116.67 120.03 1qyn s ASP 53 Ca 0.00 2.59 0.00 0.00 0.43 0.00 0.00 52.55 55.57 1qyn s ASP 53 Cb 0.00 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 1qyn s ASP 53 CO 0.00 -1.03 0.00 0.47 -0.17 0.00 0.00 175.17 174.44 1qyn n ASP 54 N 7.39 -4.52 -4.17 -0.34 8.00 -1.26 -4.94 116.55 116.70 1qyn n ASP 54 Ca 0.19 0.26 -0.34 0.00 0.71 0.00 0.00 54.79 55.61 1qyn n ASP 54 Cb 0.41 -3.57 -0.15 0.00 -0.02 0.00 0.00 41.12 37.80 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 -1.82 2.65 0.05 2.53 1.01 -1.02 0.12 120.40 123.92 1qyn s VAL 55 Ca 0.00 -1.09 0.09 0.00 0.00 0.00 0.00 61.98 60.98 1qyn s VAL 55 Cb 0.00 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 1qyn s VAL 55 CO 0.00 0.23 -0.25 -0.31 0.00 0.00 0.00 175.10 174.76 1qyn s TYR 56 N 1.29 2.21 -0.17 5.22 1.51 0.69 -0.26 117.35 127.85 1qyn s TYR 56 Ca -0.00 -0.40 -0.07 0.00 -1.01 0.00 0.00 57.07 55.59 1qyn s TYR 56 Cb -0.16 -1.32 -0.04 0.00 -0.11 0.00 0.00 41.96 40.33 1qyn s TYR 56 CO -0.06 0.14 0.05 -2.00 -1.11 0.00 0.00 175.55 172.57 1qyn s GLU 57 N -1.29 3.89 -0.05 -0.62 2.12 0.63 -0.16 118.70 123.22 1qyn s GLU 57 Ca 0.11 -0.35 0.06 0.00 0.36 0.00 0.00 54.97 55.15 1qyn s GLU 57 Cb -0.10 -3.17 -0.01 0.00 0.26 0.00 0.00 34.13 31.11 1qyn s GLU 57 CO 0.02 0.31 -0.25 0.08 -0.54 0.00 0.00 175.26 174.88 1qyn s VAL 58 N 0.26 2.07 -0.08 3.70 1.01 0.14 -1.40 120.40 126.10 1qyn s VAL 58 Ca 0.03 -1.07 0.02 0.00 0.00 0.00 0.00 61.98 60.97 1qyn s VAL 58 Cb -0.12 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.53 1qyn s VAL 58 CO 0.00 0.57 -0.15 -0.69 0.00 0.00 0.00 175.10 174.84 1qyn s VAL 59 N -0.27 1.40 -0.21 2.92 1.01 -0.10 -1.25 120.40 123.90 1qyn s VAL 59 Ca -0.00 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 1qyn s VAL 59 Cb -0.13 -1.26 -0.00 0.00 0.00 0.00 0.00 36.38 34.99 1qyn s VAL 59 CO 0.03 0.42 -0.08 -0.22 0.00 0.00 0.00 175.10 175.24 1qyn s LEU 60 N 0.67 2.73 -0.19 3.92 0.20 0.17 -1.50 118.68 124.69 1qyn s LEU 60 Ca -0.14 -0.44 -0.06 0.00 0.69 0.00 0.00 54.13 54.18 1qyn s LEU 60 Cb -0.16 -1.68 -0.03 0.00 -0.43 0.00 0.00 46.19 43.88 1qyn s LEU 60 CO 0.04 -0.01 0.03 -0.60 -0.29 0.00 0.00 176.35 175.52 1qyn s ARG 61 N 1.40 3.82 -0.09 1.98 3.52 0.98 -0.40 118.95 130.17 1qyn s ARG 61 Ca 0.05 -0.42 0.03 0.00 -0.13 0.00 0.00 55.73 55.26 1qyn s ARG 61 Cb -0.14 -3.14 0.00 0.00 -1.56 0.00 0.00 34.95 30.12 1qyn s ARG 61 CO -0.05 0.18 -0.20 0.08 -0.81 0.00 0.00 175.30 174.50 1qyn s VAL 62 N 0.59 1.73 -0.11 7.11 1.01 0.48 -1.11 120.40 130.10 1qyn s VAL 62 Ca 0.01 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.18 1qyn s VAL 62 Cb -0.13 -1.51 0.02 0.00 0.00 0.00 0.00 36.38 34.75 1qyn s VAL 62 CO 0.02 0.49 -0.15 -0.89 0.00 0.00 0.00 175.10 174.56 1qyn s THR 63 N 0.43 1.53 -0.09 3.92 2.01 0.06 -0.17 115.64 123.33 1qyn s THR 63 Ca -0.17 -0.66 0.04 0.00 0.31 0.00 0.00 61.69 61.21 1qyn s THR 63 Cb -0.17 -1.40 0.00 0.00 0.01 0.00 0.00 72.50 70.94 1qyn s THR 63 CO 0.07 0.45 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.55 1qyn s VAL 64 N 1.04 1.78 -0.08 3.82 1.01 0.15 -0.81 120.40 127.31 1qyn s VAL 64 Ca -0.05 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.11 1qyn s VAL 64 Cb -0.15 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.68 1qyn s VAL 64 CO -0.03 0.50 -0.21 -0.89 0.00 0.00 0.00 175.10 174.47 1qyn s THR 65 N 0.41 1.80 -0.20 3.92 2.01 -0.15 -0.78 115.64 122.65 1qyn s THR 65 Ca -0.17 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 60.96 1qyn s THR 65 Cb -0.17 -1.57 0.04 0.00 0.01 0.00 0.00 72.50 70.82 1qyn s THR 65 CO 0.07 0.50 -0.12 0.00 -0.69 0.00 0.00 174.62 174.39 1qyn s ALA 66 N 0.32 2.13 0.07 7.40 0.00 -0.70 -0.34 121.76 130.63 1qyn s ALA 66 Ca -0.15 -1.28 0.07 0.00 0.00 0.00 0.00 51.96 50.60 1qyn s ALA 66 Cb -0.16 -1.30 -0.03 0.00 0.00 0.00 0.00 23.12 21.62 1qyn s ALA 66 CO 0.07 -0.79 -0.18 -1.12 0.00 0.00 0.00 175.76 173.73 1qyn s SER 67 N 1.34 2.20 -0.43 0.00 0.01 -1.17 0.01 113.70 115.65 1qyn s SER 67 Ca -0.01 -0.59 0.04 0.00 1.31 0.00 0.00 55.95 56.70 1qyn s SER 67 Cb -0.16 -0.13 0.51 0.00 0.21 0.00 0.00 66.02 66.45 1qyn s SER 67 CO -0.08 0.06 1.66 0.18 0.41 0.00 0.00 173.24 175.46 1qyn n LEU 68 N 1.47 5.85 0.00 2.44 4.77 -0.45 0.05 117.00 131.12 1qyn n LEU 68 Ca -0.19 -4.11 0.00 0.00 -0.03 0.00 0.00 56.01 51.68 1qyn n LEU 68 Cb 0.54 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1qyn n LEU 68 CO 0.22 1.47 0.00 0.61 -1.33 0.00 0.00 177.39 178.36 1qyn n GLY 69 N -0.98 1.32 0.01 -0.72 0.00 -1.26 -4.45 105.19 99.10 1qyn n GLY 69 Ca 0.49 -0.66 0.03 0.00 0.00 0.00 0.00 46.02 45.88 1qyn n GLY 69 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1qyn n GLU 70 N 0.00 4.84 -2.60 1.61 4.07 -1.26 -4.90 120.64 122.40 1qyn n GLU 70 Ca 0.00 -0.02 -0.41 0.00 -0.06 0.00 0.00 57.16 56.67 1qyn n GLU 70 Cb 0.00 -0.80 -0.03 0.00 -0.06 0.00 0.00 31.44 30.55 1qyn n GLU 70 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1qyn s GLU 71 N -1.56 3.32 0.03 5.31 2.56 -1.26 -5.00 118.70 122.09 1qyn s GLU 71 Ca 0.02 -0.62 -0.30 0.00 0.00 0.00 0.00 54.97 54.07 1qyn s GLU 71 Cb 0.05 -4.56 -0.07 0.00 2.00 0.00 0.00 34.13 31.55 1qyn s GLU 71 CO 0.25 -2.12 1.58 0.99 -0.56 0.00 0.00 175.26 175.40 1qyn s THR 72 N 5.22 3.33 -0.13 -1.70 2.01 -1.26 -1.34 115.64 121.77 1qyn s THR 72 Ca 0.37 0.71 -0.22 0.00 0.31 0.00 0.00 61.69 62.86 1qyn s THR 72 Cb -0.06 -3.46 -0.20 0.00 0.01 0.00 0.00 72.50 68.79 1qyn s THR 72 CO 0.06 -0.01 0.57 0.00 -0.69 0.00 0.00 174.62 174.55 1qyn h ALA 73 N 8.37 0.01 -2.19 7.40 0.00 -0.77 -3.41 119.26 128.66 1qyn h ALA 73 Ca -0.41 -0.41 0.07 0.00 0.00 0.00 0.00 54.91 54.16 1qyn h ALA 73 Cb 1.19 0.02 -0.17 0.00 0.00 0.00 0.00 17.79 18.84 1qyn h ALA 73 CO 0.93 0.02 0.43 -0.59 0.00 0.00 0.00 179.25 180.04 1qyn s PHE 74 N -2.07 -0.41 -0.09 0.00 -0.12 -1.08 -4.54 117.98 109.67 1qyn s PHE 74 Ca -0.15 0.42 0.02 0.00 -0.05 0.00 0.00 56.93 57.17 1qyn s PHE 74 Cb -0.02 0.51 0.02 0.00 -0.63 0.00 0.00 43.02 42.89 1qyn s PHE 74 CO 0.53 -0.55 -0.13 -1.17 -0.05 0.00 0.00 175.22 173.84 1qyn s LEU 75 N -2.08 1.63 -0.03 -1.99 1.98 0.08 -1.73 118.68 116.54 1qyn s LEU 75 Ca 0.01 -0.37 0.03 0.00 -2.89 0.00 0.00 54.13 50.91 1qyn s LEU 75 Cb -0.01 -0.97 0.00 0.00 0.66 0.00 0.00 46.19 45.87 1qyn s LEU 75 CO -0.05 0.01 -0.10 0.00 -1.89 0.00 0.00 176.35 174.32 1qyn s GLU 77 N 0.28 0.17 -0.01 0.00 2.12 -0.35 0.30 118.70 121.21 1qyn s GLU 77 Ca -0.05 -0.06 0.01 0.00 0.36 0.00 0.00 54.97 55.23 1qyn s GLU 77 Cb -0.10 -0.19 0.01 0.00 0.26 0.00 0.00 34.13 34.11 1qyn s GLU 77 CO 0.01 0.03 -0.02 0.08 -0.54 0.00 0.00 175.26 174.82 1qyn s VAL 78 N 0.06 0.18 -0.35 3.70 1.01 0.76 -1.66 120.40 124.10 1qyn s VAL 78 Ca -0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.90 1qyn s VAL 78 Cb -0.02 -0.19 0.07 0.00 0.00 0.00 0.00 36.38 36.24 1qyn s VAL 78 CO -0.00 0.08 0.10 -1.10 0.00 0.00 0.00 175.10 174.18 1qyn s GLN 79 N 0.26 2.30 -0.28 2.72 -0.21 -0.08 -0.39 119.66 123.98 1qyn s GLN 79 Ca -0.02 -1.47 -0.09 0.00 0.02 0.00 0.00 55.36 53.80 1qyn s GLN 79 Cb -0.05 -3.39 -0.03 0.00 1.00 0.00 0.00 33.01 30.54 1qyn s GLN 79 CO -0.01 -0.81 0.13 -1.14 -2.12 0.00 0.00 175.29 171.35 1qyn s GLN 80 N 1.24 3.66 0.38 2.91 2.00 0.47 -0.84 119.66 129.47 1qyn s GLN 80 Ca 0.01 -0.49 0.08 0.00 -2.00 0.00 0.00 55.36 52.95 1qyn s GLN 80 Cb -0.21 -3.49 -0.02 0.00 0.80 0.00 0.00 33.01 30.09 1qyn s GLN 80 CO -0.02 -0.25 0.37 0.20 -0.50 0.00 0.00 175.29 175.09 1qyn s GLY 81 N 1.66 1.96 -0.28 2.59 0.00 0.30 -0.65 107.32 112.90 1qyn s GLY 81 Ca 0.06 -1.76 -0.22 0.00 0.00 0.00 0.00 44.72 42.81 1qyn s GLY 81 CO 0.07 -1.62 0.76 -0.32 0.00 0.00 0.00 173.10 171.99 1qyn s GLY 82 N -4.10 -0.49 -0.21 0.20 0.00 -0.38 -1.32 107.32 101.02 1qyn s GLY 82 Ca 0.46 2.30 -0.08 0.00 0.00 0.00 0.00 44.72 47.40 1qyn s GLY 82 CO 0.28 2.02 0.08 -0.42 0.00 0.00 0.00 173.10 175.06 1qyn s ILE 83 N 0.82 4.75 -0.00 0.90 -1.09 0.38 -0.68 121.20 126.28 1qyn s ILE 83 Ca -0.03 -0.04 0.04 0.00 -2.23 0.00 0.00 60.65 58.39 1qyn s ILE 83 Cb -0.05 -3.17 -0.01 0.00 -1.58 0.00 0.00 42.46 37.65 1qyn s ILE 83 CO -0.07 0.41 -0.14 -0.36 -1.23 0.00 0.00 174.94 173.55 1qyn s PHE 84 N 0.76 1.21 -0.24 3.97 0.40 0.77 -0.68 117.98 124.16 1qyn s PHE 84 Ca 0.04 -0.25 -0.18 0.00 -0.60 0.00 0.00 56.93 55.94 1qyn s PHE 84 Cb -0.13 -0.77 -0.03 0.00 0.51 0.00 0.00 43.02 42.60 1qyn s PHE 84 CO 0.02 -0.01 0.51 -1.12 0.70 0.00 0.00 175.22 175.32 1qyn s SER 85 N -0.46 6.46 -0.06 1.36 0.01 -0.34 -0.22 113.70 120.46 1qyn s SER 85 Ca 0.05 0.56 -0.01 0.00 1.31 0.00 0.00 55.95 57.85 1qyn s SER 85 Cb -0.06 -2.28 0.03 0.00 0.21 0.00 0.00 66.02 63.92 1qyn s SER 85 CO -0.00 -0.25 0.01 -0.63 0.41 0.00 0.00 173.24 172.79 1qyn s ILE 86 N 2.08 0.23 0.00 1.44 1.01 0.31 -2.06 121.20 124.21 1qyn s ILE 86 Ca 0.22 0.19 -0.06 0.00 0.00 0.00 0.00 60.65 61.00 1qyn s ILE 86 Cb -0.16 -0.40 -0.00 0.00 0.01 0.00 0.00 42.46 41.92 1qyn s ILE 86 CO 0.09 0.22 0.11 0.00 0.00 0.00 0.00 174.94 175.36 1qyn s ALA 87 N 1.84 -0.24 0.00 9.38 0.00 -1.06 -4.44 121.76 127.25 1qyn s ALA 87 Ca 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.82 1qyn s ALA 87 Cb -0.12 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.08 1qyn s ALA 87 CO -0.04 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 175.95 1qyn n GLY 88 N 1.66 3.09 3.94 0.00 0.00 -1.26 -0.38 105.19 112.24 1qyn n GLY 88 Ca -0.22 -1.00 -0.20 0.00 0.00 0.00 0.00 46.02 44.60 1qyn n GLY 88 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1qyn s ILE 89 N -0.55 4.13 0.10 -0.61 -4.36 -1.26 -4.87 121.20 113.79 1qyn s ILE 89 Ca 0.00 -1.11 -0.26 0.00 -0.26 0.00 0.00 60.65 59.01 1qyn s ILE 89 Cb 0.00 -3.42 0.08 0.00 1.25 0.00 0.00 42.46 40.37 1qyn s ILE 89 CO 0.00 -0.20 1.01 -0.70 0.24 0.00 0.00 174.94 175.29 1qyn s GLU 90 N -4.08 1.00 6.09 0.37 2.56 -1.26 -4.68 118.70 118.70 1qyn s GLU 90 Ca 0.42 -0.54 0.00 0.00 0.00 0.00 0.00 54.97 54.85 1qyn s GLU 90 Cb -0.08 0.35 0.00 0.00 2.00 0.00 0.00 34.13 36.40 1qyn s GLU 90 CO 0.29 -0.46 0.00 0.41 -0.56 0.00 0.00 175.26 174.94 1qyn n GLY 91 N -0.44 1.63 0.33 -1.50 0.00 -1.26 -3.07 105.19 100.88 1qyn n GLY 91 Ca -0.07 -0.54 -0.03 0.00 0.00 0.00 0.00 46.02 45.39 1qyn n GLY 91 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1qyn h THR 92 N 0.00 1.23 0.10 2.61 1.35 -2.00 -0.86 112.91 115.35 1qyn h THR 92 Ca 0.00 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 1qyn h THR 92 Cb 0.00 0.40 -0.01 0.00 -1.73 0.00 0.00 68.15 66.81 1qyn h THR 92 CO 0.00 0.29 -0.08 1.56 -0.25 0.00 0.00 175.52 177.04 1qyn h GLN 93 N 0.98 -0.18 -0.65 4.72 4.20 -1.95 -0.52 115.11 121.72 1qyn h GLN 93 Ca 0.23 0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.91 1qyn h GLN 93 Cb 0.17 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 1qyn h GLN 93 CO -0.02 -0.12 0.22 1.98 -0.67 0.00 0.00 178.83 180.22 1qyn h MET 94 N -0.18 0.99 -0.52 1.46 4.05 -1.56 -2.05 114.93 117.12 1qyn h MET 94 Ca -0.00 -0.20 0.04 0.00 -0.28 0.00 0.00 59.70 59.25 1qyn h MET 94 Cb 0.17 -0.15 -0.04 0.00 -0.80 0.00 0.00 31.60 30.78 1qyn h MET 94 CO -0.01 0.85 0.29 0.00 0.23 0.00 0.00 176.91 178.28 1qyn h ALA 95 N 1.09 0.67 -0.51 0.39 0.00 -0.87 -1.55 119.26 118.47 1qyn h ALA 95 Ca 0.21 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 1qyn h ALA 95 Cb 0.26 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1qyn h ALA 95 CO -0.01 -0.03 0.00 1.25 0.00 0.00 0.00 179.25 180.46 1qyn h HIS 96 N 0.56 0.92 -0.87 0.00 6.17 -0.88 -0.37 115.15 120.69 1qyn h HIS 96 Ca 0.22 -0.14 -0.03 0.00 0.71 0.00 0.00 60.37 61.14 1qyn h HIS 96 Cb 0.08 -0.25 -0.04 0.00 2.52 0.00 0.00 27.41 29.72 1qyn h HIS 96 CO -0.08 0.84 0.44 0.00 0.71 0.00 0.00 177.93 179.83 1qyn h LEU 98 N 1.23 0.37 -0.28 0.00 3.38 -0.95 -1.07 115.31 117.99 1qyn h LEU 98 Ca 0.30 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1qyn h LEU 98 Cb 0.09 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1qyn h LEU 98 CO -0.04 1.30 -0.52 0.61 0.09 0.00 0.00 178.44 179.88 1qyn n GLY 99 N 1.48 -0.84 1.87 0.83 0.00 -0.18 -4.42 105.19 103.93 1qyn n GLY 99 Ca -0.07 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.05 3.00 0.22 4.61 0.00 -0.45 -4.76 120.51 122.08 1qyn n ALA 100 Ca 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.36 1qyn n ALA 100 Cb 0.36 0.05 -0.08 0.00 0.00 0.00 0.00 19.45 19.78 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 -0.96 -0.51 0.00 3.20 -1.53 0.32 116.97 117.50 1qyn h TYR 101 Ca 0.00 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 1qyn h TYR 101 Cb 0.06 0.37 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 1qyn h TYR 101 CO 0.00 -0.50 0.25 0.00 -1.64 0.00 0.00 178.16 176.27 1qyn h PRO 103 N 0.68 0.75 -0.39 0.00 0.11 -1.74 -0.74 132.00 130.67 1qyn h PRO 103 Ca 0.18 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.21 1qyn h PRO 103 Cb 0.12 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.05 1qyn h PRO 103 CO -0.02 0.53 0.17 -0.97 -0.21 0.00 0.00 178.00 177.50 1qyn h ASN 104 N 0.76 0.49 0.44 -2.05 -0.73 -0.49 0.23 115.58 114.23 1qyn h ASN 104 Ca 0.20 -0.04 -0.14 0.00 1.87 0.00 0.00 56.30 58.18 1qyn h ASN 104 Cb -0.02 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 38.43 1qyn h ASN 104 CO -0.04 0.44 -0.61 0.40 -0.37 0.00 0.00 177.43 177.25 1qyn h ILE 105 N 0.55 1.40 0.00 2.57 1.08 -0.76 -3.29 117.51 119.06 1qyn h ILE 105 Ca 0.14 -2.02 -0.13 0.00 -0.39 0.00 0.00 64.86 62.46 1qyn h ILE 105 Cb 0.09 2.05 -0.02 0.00 -3.07 0.00 0.00 36.82 35.87 1qyn h ILE 105 CO -0.02 0.59 -1.01 -0.07 -0.69 0.00 0.00 178.15 176.95 1qyn h LEU 106 N 0.13 0.00 -0.76 1.44 3.38 0.00 -3.38 115.31 116.12 1qyn h LEU 106 Ca -0.01 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.10 1qyn h LEU 106 Cb 1.11 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.77 1qyn h LEU 106 CO 0.09 0.49 0.33 0.15 0.09 0.00 0.00 178.44 179.59 1qyn h PHE 107 N 0.00 0.56 -0.91 1.13 3.57 -0.71 -1.80 116.94 118.79 1qyn h PHE 107 Ca -0.09 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.49 1qyn h PHE 107 Cb 1.45 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 40.00 1qyn h PHE 107 CO 0.00 0.11 0.58 -1.35 -2.23 0.00 0.00 178.31 175.42 1qyn h PRO 108 N 0.49 1.09 -0.40 6.41 0.11 -1.77 0.15 132.00 138.07 1qyn h PRO 108 Ca 0.41 -0.07 -0.16 0.00 0.11 0.00 0.00 66.00 66.30 1qyn h PRO 108 Cb 0.59 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 1qyn h PRO 108 CO -0.37 0.72 -0.36 1.88 -0.21 0.00 0.00 178.00 179.65 1qyn h TYR 109 N 1.12 1.14 -0.45 0.65 -1.99 -1.61 -1.19 116.97 114.63 1qyn h TYR 109 Ca 0.37 -0.33 -0.14 0.00 2.00 0.00 0.00 58.73 60.63 1qyn h TYR 109 Cb 0.04 -0.24 -0.01 0.00 2.00 0.00 0.00 36.73 38.52 1qyn h TYR 109 CO -0.02 1.17 -0.27 0.00 -0.00 0.00 0.00 178.16 179.04 1qyn h ALA 110 N 0.79 0.67 0.09 3.88 0.00 -0.92 -0.96 119.26 122.79 1qyn h ALA 110 Ca 0.07 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1qyn h ALA 110 Cb 0.96 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1qyn h ALA 110 CO 0.09 0.68 -0.04 -0.09 0.00 0.00 0.00 179.25 179.89 1qyn h ARG 111 N 0.82 -0.11 -0.38 0.00 2.43 -0.67 -1.44 114.38 115.03 1qyn h ARG 111 Ca 0.10 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.30 1qyn h ARG 111 Cb 0.85 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.39 1qyn h ARG 111 CO 0.08 -0.04 0.19 1.49 -1.51 0.00 0.00 179.97 180.18 1qyn h GLU 112 N -0.15 0.38 -0.65 0.20 4.22 -1.18 -0.36 114.58 117.05 1qyn h GLU 112 Ca -0.01 -0.02 0.09 0.00 0.08 0.00 0.00 59.36 59.50 1qyn h GLU 112 Cb 0.12 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.22 1qyn h GLU 112 CO 0.02 0.25 0.28 0.00 -2.18 0.00 0.00 179.01 177.39 1qyn h ILE 114 N 0.50 1.21 -0.60 0.00 2.04 -0.67 -2.25 117.51 117.73 1qyn h ILE 114 Ca 0.32 -0.65 0.12 0.00 1.00 0.00 0.00 64.86 65.66 1qyn h ILE 114 Cb 0.37 1.40 -0.10 0.00 -0.74 0.00 0.00 36.82 37.75 1qyn h ILE 114 CO -0.28 0.19 0.04 0.74 0.00 0.00 0.00 178.15 178.83 1qyn h THR 115 N -0.01 0.54 -0.31 -0.27 2.02 -0.40 -0.71 112.91 113.78 1qyn h THR 115 Ca 0.04 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 1qyn h THR 115 Cb 0.27 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 1qyn h THR 115 CO 0.00 0.03 0.11 -1.28 0.37 0.00 0.00 175.52 174.75 1qyn h SER 116 N 0.15 0.43 -0.12 4.18 0.87 -0.93 -0.87 113.55 117.26 1qyn h SER 116 Ca 0.31 -0.18 0.02 0.00 -1.23 0.00 0.00 61.79 60.71 1qyn h SER 116 Cb 0.50 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 1qyn h SER 116 CO -0.48 0.49 -0.01 0.24 -0.53 0.00 0.00 176.83 176.54 1qyn h MET 117 N 0.34 0.03 -0.68 2.24 2.07 -0.79 0.57 114.93 118.72 1qyn h MET 117 Ca 0.10 -0.00 -0.00 0.00 -2.07 0.00 0.00 59.70 57.73 1qyn h MET 117 Cb 0.20 -0.01 -0.03 0.00 -1.87 0.00 0.00 31.60 29.89 1qyn h MET 117 CO -0.01 0.02 0.41 0.28 1.07 0.00 0.00 176.91 178.68 1qyn h VAL 118 N 0.03 1.19 -0.38 -2.22 2.07 -1.07 -1.25 116.25 114.63 1qyn h VAL 118 Ca 0.06 -0.42 -0.14 0.00 0.82 0.00 0.00 66.70 67.02 1qyn h VAL 118 Cb 0.07 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 1qyn h VAL 118 CO -0.10 0.20 -0.30 -1.28 0.02 0.00 0.00 177.57 176.11 1qyn h SER 119 N 0.93 0.92 0.10 0.57 0.87 -0.33 -2.38 113.55 114.24 1qyn h SER 119 Ca 0.24 -0.45 -0.02 0.00 -1.23 0.00 0.00 61.79 60.34 1qyn h SER 119 Cb -0.04 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 61.66 1qyn h SER 119 CO -0.05 1.17 -0.09 0.03 -0.53 0.00 0.00 176.83 177.37 1qyn h ARG 120 N 0.68 0.00 -0.01 2.24 3.08 0.78 -0.73 114.38 120.42 1qyn h ARG 120 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1qyn h ARG 120 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.93 1qyn h ARG 120 CO 0.08 0.09 0.00 0.41 -1.07 0.00 0.00 179.97 179.48 1qyn n GLY 121 N -1.23 -0.57 3.53 0.04 0.00 -0.53 -4.92 105.19 101.50 1qyn n GLY 121 Ca -0.03 -0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.50 -3.70 -3.89 2.61 -2.24 -0.28 -5.03 114.28 101.25 1qyn n THR 122 Ca 0.22 -0.12 -0.21 0.00 -2.27 0.00 0.00 64.05 61.66 1qyn n THR 122 Cb 0.22 -4.22 -0.03 0.00 -2.10 0.00 0.00 70.33 64.20 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 -3.33 3.03 0.45 4.78 0.40 -0.91 -5.06 117.98 117.34 1qyn s PHE 123 Ca 0.44 -0.21 -0.25 0.00 -0.60 0.00 0.00 56.93 56.30 1qyn s PHE 123 Cb -0.19 -1.67 -0.08 0.00 0.51 0.00 0.00 43.02 41.59 1qyn s PHE 123 CO 0.72 0.29 1.39 -2.14 0.70 0.00 0.00 175.22 176.18 1qyn s PRO 124 N -3.96 3.68 0.09 0.24 0.02 -1.26 -4.54 135.00 129.26 1qyn s PRO 124 Ca 0.38 2.33 -0.35 0.00 0.02 0.00 0.00 61.00 63.38 1qyn s PRO 124 Cb -0.07 -2.62 -0.19 0.00 0.02 0.00 0.00 34.50 31.64 1qyn s PRO 124 CO 0.27 -0.79 0.83 1.04 -0.33 0.00 0.00 177.00 178.02 1qyn n GLN 125 N -0.24 0.00 -3.81 5.54 1.13 -1.26 -4.92 117.38 113.83 1qyn n GLN 125 Ca 0.05 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.82 1qyn n GLN 125 Cb 0.43 -1.28 -0.16 0.00 0.11 0.00 0.00 30.24 29.34 1qyn n GLN 125 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1qyn s LEU 126 N 1.29 2.00 -0.31 1.08 2.96 -1.26 -5.09 118.68 119.35 1qyn s LEU 126 Ca 0.79 -1.18 -0.03 0.00 -0.22 0.00 0.00 54.13 53.49 1qyn s LEU 126 Cb -1.12 -0.88 0.05 0.00 0.50 0.00 0.00 46.19 44.73 1qyn s LEU 126 CO 0.56 -0.31 0.03 0.20 -1.32 0.00 0.00 176.35 175.51 1qyn s ASN 127 N 1.62 4.99 0.13 3.68 0.01 -1.26 -4.36 114.94 119.75 1qyn s ASN 127 Ca 0.00 -1.26 -0.31 0.00 -0.71 0.00 0.00 52.86 50.58 1qyn s ASN 127 Cb -0.18 -1.75 -0.09 0.00 0.41 0.00 0.00 41.25 39.64 1qyn s ASN 127 CO -0.12 -0.28 1.54 -0.76 -1.51 0.00 0.00 177.10 175.98 1qyn s LEU 128 N 1.28 4.37 0.71 0.60 1.43 -1.26 -4.97 118.68 120.83 1qyn s LEU 128 Ca -0.04 2.51 -0.15 0.00 -1.03 0.00 0.00 54.13 55.42 1qyn s LEU 128 Cb -0.20 -3.58 0.03 0.00 0.03 0.00 0.00 46.19 42.47 1qyn s LEU 128 CO -0.00 -0.80 1.16 0.00 0.23 0.00 0.00 176.35 176.94 1qyn s ALA 129 N 1.52 2.24 0.68 4.21 0.00 -1.26 -4.95 121.76 124.21 1qyn s ALA 129 Ca 0.70 0.72 -0.17 0.00 0.00 0.00 0.00 51.96 53.21 1qyn s ALA 129 Cb -0.41 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.28 1qyn s ALA 129 CO 0.31 -1.66 0.81 -2.30 0.00 0.00 0.00 175.76 172.91 1qyn n PRO 130 N -2.66 0.54 -5.19 0.00 -0.02 -1.26 -5.00 135.00 121.40 1qyn n PRO 130 Ca 0.12 0.23 -0.31 0.00 -2.02 0.00 0.00 63.50 61.52 1qyn n PRO 130 Cb 0.51 -2.05 -0.17 0.00 -0.02 0.00 0.00 33.50 31.77 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 -1.76 1.97 -1.08 -1.45 1.01 -1.26 -5.06 120.40 112.78 1qyn s VAL 131 Ca 0.72 -1.00 -0.14 0.00 0.00 0.00 0.00 61.98 61.56 1qyn s VAL 131 Cb -0.37 -1.69 0.20 0.00 0.00 0.00 0.00 36.38 34.52 1qyn s VAL 131 CO 0.52 0.55 1.20 0.21 0.00 0.00 0.00 175.10 177.58 1qyn s ASN 132 N 0.05 7.01 0.63 3.32 3.84 -1.26 -4.84 114.94 123.68 1qyn s ASN 132 Ca -0.09 -2.92 0.37 0.00 0.21 0.00 0.00 52.86 50.44 1qyn s ASN 132 Cb -0.15 -2.33 2.10 0.00 -0.55 0.00 0.00 41.25 40.32 1qyn s ASN 132 CO 0.05 -0.67 2.30 -0.26 -2.79 0.00 0.00 177.10 175.73 1qyn h PHE 133 N 7.45 0.00 -0.24 0.43 -1.00 -1.95 -0.80 116.94 120.83 1qyn h PHE 133 Ca 0.22 0.00 -0.17 0.00 2.81 0.00 0.00 57.97 60.83 1qyn h PHE 133 Cb 0.93 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.48 1qyn h PHE 133 CO 1.02 0.01 -0.54 -0.44 -1.61 0.00 0.00 178.31 176.75 1qyn h ASP 134 N 0.00 0.79 -0.43 2.17 5.19 -1.88 -1.74 116.42 120.52 1qyn h ASP 134 Ca -0.00 -0.42 -0.11 0.00 -0.62 0.00 0.00 57.03 55.88 1qyn h ASP 134 Cb 0.04 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.31 1qyn h ASP 134 CO 0.00 1.17 -0.17 0.00 -3.12 0.00 0.00 179.24 177.12 1qyn h ALA 135 N 0.84 0.61 -0.71 3.45 0.00 -1.57 -2.66 119.26 119.22 1qyn h ALA 135 Ca 0.01 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 1qyn h ALA 135 Cb 1.11 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1qyn h ALA 135 CO 0.11 0.55 0.20 -0.07 0.00 0.00 0.00 179.25 180.04 1qyn h LEU 136 N 0.71 1.04 -1.32 0.00 3.38 -1.41 -2.68 115.31 115.02 1qyn h LEU 136 Ca 0.10 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1qyn h LEU 136 Cb 0.73 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1qyn h LEU 136 CO 0.06 0.98 0.30 0.15 0.09 0.00 0.00 178.44 180.02 1qyn h PHE 137 N 1.06 0.75 -0.13 1.13 3.57 -1.14 -2.61 116.94 119.56 1qyn h PHE 137 Ca 0.23 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.74 1qyn h PHE 137 Cb 0.33 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1qyn h PHE 137 CO 0.03 0.52 -0.03 0.52 -2.23 0.00 0.00 178.31 177.12 1qyn h MET 138 N 0.77 0.00 0.05 1.11 2.86 -1.13 -2.97 114.93 115.63 1qyn h MET 138 Ca 0.20 -0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.86 1qyn h MET 138 Cb 0.02 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.63 1qyn h MET 138 CO -0.03 0.00 -0.47 -0.91 1.06 0.00 0.00 176.91 176.56 1qyn h ASN 139 N 0.00 -1.42 0.00 1.22 2.35 -1.45 -3.52 115.58 112.77 1qyn h ASN 139 Ca 0.06 0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1qyn h ASN 139 Cb 0.09 0.54 0.00 0.00 0.05 0.00 0.00 38.32 39.00 1qyn h ASN 139 CO -0.13 -0.50 0.00 0.00 -1.65 0.00 0.00 177.43 175.14