#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 -0.47 -0.07 2.03 2.01 -0.23 -4.93 115.64 113.99 1qyn s THR 10 Ca 0.00 0.00 0.05 0.00 0.31 0.00 0.00 61.69 62.05 1qyn s THR 10 Cb 0.00 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.50 1qyn s THR 10 CO 0.00 0.00 -0.22 0.12 -0.69 0.00 0.00 174.62 173.83 1qyn s PHE 11 N 2.21 2.52 -0.25 4.92 5.36 -1.25 -2.16 117.98 129.33 1qyn s PHE 11 Ca -0.07 -0.65 -0.06 0.00 -0.96 0.00 0.00 56.93 55.19 1qyn s PHE 11 Cb -0.08 -1.64 0.13 0.00 -0.34 0.00 0.00 43.02 41.10 1qyn s PHE 11 CO -0.18 -0.17 0.50 -1.14 -1.46 0.00 0.00 175.22 172.76 1qyn s GLN 12 N -0.16 0.44 -0.37 10.12 2.00 -0.64 -4.96 119.66 126.10 1qyn s GLN 12 Ca -0.03 1.02 -0.29 0.00 -2.00 0.00 0.00 55.36 54.06 1qyn s GLN 12 Cb -0.14 0.33 0.01 0.00 0.80 0.00 0.00 33.01 34.01 1qyn s GLN 12 CO 0.04 -0.39 1.33 0.42 -0.50 0.00 0.00 175.29 176.18 1qyn s ILE 13 N 2.71 4.06 -0.30 -2.34 1.01 -1.26 -0.31 121.20 124.77 1qyn s ILE 13 Ca 0.05 1.14 0.22 0.00 0.00 0.00 0.00 60.65 62.06 1qyn s ILE 13 Cb -0.13 -4.23 -0.13 0.00 0.01 0.00 0.00 42.46 37.98 1qyn s ILE 13 CO -0.16 -0.65 0.88 1.67 0.00 0.00 0.00 174.94 176.68 1qyn n GLN 14 N 7.68 0.52 -3.64 2.79 -0.06 0.06 -4.98 117.38 119.75 1qyn n GLN 14 Ca 0.15 -0.00 -0.03 0.00 -2.00 0.00 0.00 57.00 55.12 1qyn n GLN 14 Cb 0.47 -1.67 -0.06 0.00 -4.06 0.00 0.00 30.24 24.93 1qyn n GLN 14 CO 0.00 0.00 0.00 0.50 -0.20 0.00 0.00 177.06 177.36 1qyn s ARG 15 N -3.35 0.08 -0.07 3.69 3.52 -1.13 -4.93 118.95 116.76 1qyn s ARG 15 Ca -0.01 0.06 0.02 0.00 -0.13 0.00 0.00 55.73 55.66 1qyn s ARG 15 Cb 0.12 0.04 0.02 0.00 -1.56 0.00 0.00 34.95 33.57 1qyn s ARG 15 CO 0.83 -0.02 -0.10 0.42 -0.81 0.00 0.00 175.30 175.62 1qyn s ILE 16 N -0.42 1.00 0.07 4.11 1.01 -1.26 -0.96 121.20 124.76 1qyn s ILE 16 Ca 0.08 -0.39 -0.26 0.00 0.00 0.00 0.00 60.65 60.08 1qyn s ILE 16 Cb -0.03 -0.94 0.07 0.00 0.01 0.00 0.00 42.46 41.57 1qyn s ILE 16 CO -0.12 0.33 0.64 -0.72 0.00 0.00 0.00 174.94 175.07 1qyn s TYR 17 N 0.83 -0.58 -0.28 3.97 -0.85 -0.59 -5.00 117.35 114.85 1qyn s TYR 17 Ca -0.12 0.62 -0.13 0.00 -0.52 0.00 0.00 57.07 56.92 1qyn s TYR 17 Cb -0.15 0.50 -0.04 0.00 0.38 0.00 0.00 41.96 42.65 1qyn s TYR 17 CO 0.02 -0.75 0.29 0.95 -1.52 0.00 0.00 175.55 174.54 1qyn s THR 18 N -2.76 5.23 -0.06 -3.49 -4.23 -1.26 0.20 115.64 109.27 1qyn s THR 18 Ca -0.03 0.34 0.16 0.00 -1.18 0.00 0.00 61.69 60.97 1qyn s THR 18 Cb -0.01 -3.64 0.08 0.00 1.34 0.00 0.00 72.50 70.27 1qyn s THR 18 CO -0.04 0.17 1.52 0.11 -0.54 0.00 0.00 174.62 175.84 1qyn h LYS 19 N 8.29 0.00 -1.95 3.99 1.57 -1.38 -3.47 116.57 123.62 1qyn h LYS 19 Ca -0.33 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.42 1qyn h LYS 19 Cb 1.17 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.27 1qyn h LYS 19 CO 0.61 0.48 0.20 0.34 -0.57 0.00 0.00 179.45 180.51 1qyn s ASP 20 N -6.45 -0.67 -0.08 0.86 -1.08 -1.21 -4.99 116.67 103.04 1qyn s ASP 20 Ca 0.03 1.07 -0.04 0.00 -0.52 0.00 0.00 52.55 53.09 1qyn s ASP 20 Cb 0.09 1.01 0.03 0.00 -1.46 0.00 0.00 42.92 42.59 1qyn s ASP 20 CO 0.73 -0.39 0.18 -0.63 0.52 0.00 0.00 175.17 175.58 1qyn s ILE 21 N -0.31 -0.03 -0.08 4.11 1.01 -1.26 -0.91 121.20 123.72 1qyn s ILE 21 Ca -0.04 0.11 -0.04 0.00 0.00 0.00 0.00 60.65 60.68 1qyn s ILE 21 Cb -0.03 -0.28 0.04 0.00 0.01 0.00 0.00 42.46 42.20 1qyn s ILE 21 CO 0.04 0.05 0.19 -0.55 0.00 0.00 0.00 174.94 174.67 1qyn s SER 22 N 0.85 -0.09 -0.04 3.58 0.15 0.83 -5.00 113.70 113.97 1qyn s SER 22 Ca -0.06 0.40 0.02 0.00 0.70 0.00 0.00 55.95 57.00 1qyn s SER 22 Cb -0.08 0.30 0.01 0.00 -1.71 0.00 0.00 66.02 64.54 1qyn s SER 22 CO -0.05 -0.17 -0.07 0.12 1.20 0.00 0.00 173.24 174.28 1qyn s PHE 23 N 1.33 0.88 -0.02 3.44 5.36 -1.26 -0.07 117.98 127.64 1qyn s PHE 23 Ca -0.08 -0.25 0.00 0.00 -0.96 0.00 0.00 56.93 55.64 1qyn s PHE 23 Cb -0.11 -0.69 0.03 0.00 -0.34 0.00 0.00 43.02 41.90 1qyn s PHE 23 CO -0.07 -0.16 0.03 -1.21 -1.46 0.00 0.00 175.22 172.34 1qyn s GLU 24 N 0.59 -0.02 -0.59 10.12 2.02 0.08 -4.98 118.70 125.92 1qyn s GLU 24 Ca -0.09 0.16 0.06 0.00 0.02 0.00 0.00 54.97 55.12 1qyn s GLU 24 Cb -0.12 -0.23 0.21 0.00 0.10 0.00 0.00 34.13 34.09 1qyn s GLU 24 CO 0.01 -0.15 0.58 0.00 0.02 0.00 0.00 175.26 175.72 1qyn n ALA 25 N 4.06 3.44 -0.29 5.21 0.00 -1.26 -0.63 120.51 131.03 1qyn n ALA 25 Ca -0.26 -4.25 -0.06 0.00 0.00 0.00 0.00 53.44 48.87 1qyn n ALA 25 Cb 0.51 -0.90 -0.01 0.00 0.00 0.00 0.00 19.45 19.04 1qyn n ALA 25 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1qyn h PRO 26 N 4.71 -0.11 -1.02 0.00 0.11 -1.85 -1.11 132.00 132.73 1qyn h PRO 26 Ca 0.17 0.01 -0.55 0.00 0.11 0.00 0.00 66.00 65.74 1qyn h PRO 26 Cb 0.76 0.02 -0.28 0.00 0.11 0.00 0.00 31.00 31.61 1qyn h PRO 26 CO 0.68 -0.07 0.70 0.09 -0.21 0.00 0.00 178.00 179.18 1qyn n ASN 27 N -5.41 5.20 -0.17 -2.05 3.02 -1.26 -4.82 115.26 109.77 1qyn n ASN 27 Ca 0.05 -3.59 -0.06 0.00 -0.03 0.00 0.00 54.58 50.95 1qyn n ASN 27 Cb 0.36 -0.89 -0.05 0.00 -0.61 0.00 0.00 39.78 38.59 1qyn n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qyn h ALA 28 N 1.40 -0.33 -0.42 5.41 0.00 -1.51 0.37 119.26 124.18 1qyn h ALA 28 Ca 0.59 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.60 1qyn h ALA 28 Cb 2.02 1.12 -0.09 0.00 0.00 0.00 0.00 17.79 20.84 1qyn h ALA 28 CO 1.22 -0.51 -0.51 -1.35 0.00 0.00 0.00 179.25 178.10 1qyn h PRO 29 N -0.05 -0.36 0.04 0.00 0.11 -1.87 -3.12 132.00 126.75 1qyn h PRO 29 Ca 0.07 0.02 -0.22 0.00 0.11 0.00 0.00 66.00 65.98 1qyn h PRO 29 Cb 0.22 0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 1qyn h PRO 29 CO -0.41 -0.24 -1.00 1.12 -0.21 0.00 0.00 178.00 177.26 1qyn h HIS 30 N -0.37 0.30 0.00 0.65 2.07 -1.91 -3.27 115.15 112.61 1qyn h HIS 30 Ca 0.10 -0.19 0.00 0.00 -2.85 0.00 0.00 60.37 57.43 1qyn h HIS 30 Cb 0.59 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 30.55 1qyn h HIS 30 CO -0.70 1.07 0.05 1.55 -3.07 0.00 0.00 177.93 176.84 1qyn n VAL 31 N -3.57 1.41 0.27 6.12 3.14 0.13 -0.28 118.33 125.55 1qyn n VAL 31 Ca -0.04 0.61 0.14 0.00 -2.96 0.00 0.00 64.34 62.09 1qyn n VAL 31 Cb 0.89 -1.61 0.36 0.00 -1.06 0.00 0.00 33.84 32.42 1qyn n VAL 31 CO 0.00 0.00 0.00 -0.26 -6.46 0.00 0.00 176.83 170.11 1qyn h PHE 32 N 0.00 0.00 0.05 1.45 0.04 -1.61 -3.10 116.94 113.77 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 0.11 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.24 1qyn h PHE 32 CO 0.00 0.00 -1.09 1.96 -0.60 0.00 0.00 178.31 178.58 1qyn h GLN 33 N 0.00 0.10 -7.13 1.51 4.20 -0.88 -3.46 115.11 109.45 1qyn h GLN 33 Ca 0.00 -0.17 -0.54 0.00 0.06 0.00 0.00 58.65 58.00 1qyn h GLN 33 Cb 0.80 0.06 0.15 0.00 0.30 0.00 0.00 27.48 28.79 1qyn h GLN 33 CO 0.00 1.08 0.47 0.15 -0.67 0.00 0.00 178.83 179.86 1qyn s LYS 34 N -2.69 2.53 0.29 1.46 -0.14 -1.17 -4.95 119.74 115.06 1qyn s LYS 34 Ca -0.01 1.91 -0.29 0.00 -1.36 0.00 0.00 55.97 56.22 1qyn s LYS 34 Cb 0.09 -1.86 -0.10 0.00 -1.68 0.00 0.00 37.83 34.28 1qyn s LYS 34 CO 0.84 -1.57 1.16 0.34 -0.76 0.00 0.00 175.35 175.36 1qyn s ASP 35 N -1.64 7.13 -1.06 2.83 2.15 -1.26 -4.91 116.67 119.91 1qyn s ASP 35 Ca 0.79 2.38 -0.23 0.00 0.43 0.00 0.00 52.55 55.92 1qyn s ASP 35 Cb -0.33 -2.63 -0.02 0.00 -0.30 0.00 0.00 42.92 39.64 1qyn s ASP 35 CO 0.40 -0.26 1.81 0.86 -0.17 0.00 0.00 175.17 177.81 1qyn s TRP 36 N -1.10 2.14 -0.48 -5.34 -0.00 -1.26 -4.74 118.94 108.16 1qyn s TRP 36 Ca 0.46 -0.05 0.08 0.00 -0.00 0.00 0.00 56.10 56.60 1qyn s TRP 36 Cb -0.34 -4.27 0.33 0.00 -0.00 0.00 0.00 33.47 29.19 1qyn s TRP 36 CO 0.44 -1.65 0.80 0.94 -0.00 0.00 0.00 176.95 177.48 1qyn n GLN 37 N 8.65 1.98 -1.99 5.86 7.27 -1.26 -5.11 117.38 132.77 1qyn n GLN 37 Ca 0.41 -4.06 -0.32 0.00 0.07 0.00 0.00 57.00 53.10 1qyn n GLN 37 Cb 0.48 -1.92 0.01 0.00 2.41 0.00 0.00 30.24 31.21 1qyn n GLN 37 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1qyn s PRO 38 N -2.76 3.33 -0.27 3.69 0.04 -1.25 -4.51 135.00 133.26 1qyn s PRO 38 Ca 0.43 1.11 0.02 0.00 0.04 0.00 0.00 61.00 62.61 1qyn s PRO 38 Cb 0.29 -2.04 0.07 0.00 0.04 0.00 0.00 34.50 32.87 1qyn s PRO 38 CO -0.10 -0.79 -0.04 -2.00 0.04 0.00 0.00 177.00 174.11 1qyn s GLU 39 N -4.29 1.76 -0.35 4.56 2.12 0.31 -4.90 118.70 117.91 1qyn s GLU 39 Ca 0.62 -1.34 -0.17 0.00 0.36 0.00 0.00 54.97 54.44 1qyn s GLU 39 Cb -0.15 -2.81 -0.01 0.00 0.26 0.00 0.00 34.13 31.43 1qyn s GLU 39 CO 0.40 -0.70 0.45 0.08 -0.54 0.00 0.00 175.26 174.95 1qyn s VAL 40 N 1.18 5.08 -0.14 3.70 1.01 -1.26 -2.19 120.40 127.79 1qyn s VAL 40 Ca -0.02 0.21 -0.07 0.00 0.00 0.00 0.00 61.98 62.10 1qyn s VAL 40 Cb -0.19 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1qyn s VAL 40 CO -0.07 -0.16 0.11 -0.75 0.00 0.00 0.00 175.10 174.23 1qyn s LYS 41 N 2.22 3.59 -0.10 2.72 2.20 0.32 -4.95 119.74 125.74 1qyn s LYS 41 Ca 0.16 -0.20 0.04 0.00 -0.36 0.00 0.00 55.97 55.60 1qyn s LYS 41 Cb -0.16 -3.19 -0.00 0.00 -1.51 0.00 0.00 37.83 32.97 1qyn s LYS 41 CO 0.12 0.62 -0.23 -1.17 -0.36 0.00 0.00 175.35 174.33 1qyn s LEU 42 N -0.59 2.13 -0.07 5.43 2.96 -1.26 -1.58 118.68 125.70 1qyn s LEU 42 Ca 0.12 -0.54 0.03 0.00 -0.22 0.00 0.00 54.13 53.52 1qyn s LEU 42 Cb -0.12 -1.42 0.01 0.00 0.50 0.00 0.00 46.19 45.16 1qyn s LEU 42 CO 0.02 0.17 -0.15 -1.81 -1.32 0.00 0.00 176.35 173.26 1qyn s ASP 43 N 0.28 2.06 0.02 3.68 1.01 -0.36 -5.00 116.67 118.36 1qyn s ASP 43 Ca -0.17 -0.35 0.09 0.00 0.71 0.00 0.00 52.55 52.83 1qyn s ASP 43 Cb -0.17 -0.88 -0.02 0.00 1.01 0.00 0.00 42.92 42.85 1qyn s ASP 43 CO 0.08 0.08 -0.26 -0.76 0.21 0.00 0.00 175.17 174.52 1qyn s LEU 44 N 0.49 2.12 -0.04 1.23 1.43 -1.26 -0.87 118.68 121.78 1qyn s LEU 44 Ca -0.13 -0.53 -0.06 0.00 -1.03 0.00 0.00 54.13 52.38 1qyn s LEU 44 Cb -0.15 -1.27 0.01 0.00 0.03 0.00 0.00 46.19 44.81 1qyn s LEU 44 CO 0.04 0.27 0.15 -0.62 0.23 0.00 0.00 176.35 176.43 1qyn s ASP 45 N -0.97 -0.11 0.02 2.29 2.15 -0.56 -5.00 116.67 114.49 1qyn s ASP 45 Ca 0.11 0.17 0.05 0.00 0.43 0.00 0.00 52.55 53.31 1qyn s ASP 45 Cb -0.10 0.29 -0.02 0.00 -0.30 0.00 0.00 42.92 42.79 1qyn s ASP 45 CO 0.01 -0.14 -0.15 -0.89 -0.17 0.00 0.00 175.17 173.83 1qyn s THR 46 N -0.31 1.15 -0.21 1.71 2.01 -1.26 -0.45 115.64 118.29 1qyn s THR 46 Ca -0.04 -0.89 -0.12 0.00 0.31 0.00 0.00 61.69 60.94 1qyn s THR 46 Cb -0.03 -1.02 0.06 0.00 0.01 0.00 0.00 72.50 71.53 1qyn s THR 46 CO 0.01 0.11 0.51 0.00 -0.69 0.00 0.00 174.62 174.56 1qyn s ALA 47 N -0.69 -1.32 0.48 7.40 0.00 -0.97 -5.02 121.76 121.64 1qyn s ALA 47 Ca 0.03 1.78 0.06 0.00 0.00 0.00 0.00 51.96 53.84 1qyn s ALA 47 Cb -0.07 -1.06 -0.00 0.00 0.00 0.00 0.00 23.12 21.98 1qyn s ALA 47 CO 0.01 -0.30 0.31 -1.54 0.00 0.00 0.00 175.76 174.24 1qyn s SER 48 N 1.32 4.61 -0.28 0.00 1.04 -1.26 -0.91 113.70 118.21 1qyn s SER 48 Ca -0.08 -1.14 -0.25 0.00 0.48 0.00 0.00 55.95 54.95 1qyn s SER 48 Cb -0.07 0.00 0.14 0.00 0.10 0.00 0.00 66.02 66.20 1qyn s SER 48 CO -0.13 -0.85 1.16 -0.55 0.98 0.00 0.00 173.24 173.85 1qyn s SER 49 N -4.12 -0.32 -0.16 7.02 0.15 -0.46 -4.97 113.70 110.83 1qyn s SER 49 Ca 0.36 0.61 -0.17 0.00 0.70 0.00 0.00 55.95 57.46 1qyn s SER 49 Cb -0.00 0.61 -0.04 0.00 -1.71 0.00 0.00 66.02 64.88 1qyn s SER 49 CO 0.21 -0.12 0.42 -1.58 1.20 0.00 0.00 173.24 173.38 1qyn s GLN 50 N 0.10 4.26 -0.08 5.44 0.74 -1.26 -0.29 119.66 128.57 1qyn s GLN 50 Ca 0.04 0.30 0.20 0.00 0.05 0.00 0.00 55.36 55.96 1qyn s GLN 50 Cb -0.05 -3.47 -0.31 0.00 1.10 0.00 0.00 33.01 30.28 1qyn s GLN 50 CO -0.09 0.09 0.36 1.28 -0.55 0.00 0.00 175.29 176.38 1qyn n LEU 51 N 3.98 0.00 -3.77 3.68 4.77 0.12 -4.94 117.00 120.84 1qyn n LEU 51 Ca -0.08 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.88 1qyn n LEU 51 Cb 0.51 0.13 -0.00 0.00 -2.33 0.00 0.00 43.42 41.74 1qyn n LEU 51 CO 0.41 0.13 0.85 0.00 -1.33 0.00 0.00 177.39 177.46 1qyn s ALA 52 N -3.21 -1.82 -0.03 -1.18 0.00 -0.97 -5.00 121.76 109.56 1qyn s ALA 52 Ca -0.08 0.12 -0.32 0.00 0.00 0.00 0.00 51.96 51.68 1qyn s ALA 52 Cb 0.12 0.63 -0.10 0.00 0.00 0.00 0.00 23.12 23.76 1qyn s ALA 52 CO 0.87 -1.06 1.95 -0.25 0.00 0.00 0.00 175.76 177.27 1qyn n ASP 53 N -0.72 3.85 -0.62 0.00 8.00 -1.26 -1.21 116.55 124.59 1qyn n ASP 53 Ca -0.05 0.90 -0.08 0.00 0.71 0.00 0.00 54.79 56.27 1qyn n ASP 53 Cb 0.61 -1.46 -0.03 0.00 -0.02 0.00 0.00 41.12 40.21 1qyn n ASP 53 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1qyn n ASP 54 N 7.38 -4.83 -3.99 -2.24 8.00 -1.26 -4.97 116.55 114.63 1qyn n ASP 54 Ca 0.22 0.20 -0.31 0.00 0.71 0.00 0.00 54.79 55.61 1qyn n ASP 54 Cb 0.36 -3.04 -0.16 0.00 -0.02 0.00 0.00 41.12 38.27 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 -2.01 1.71 0.09 2.53 1.01 -0.35 -0.97 120.40 122.40 1qyn s VAL 55 Ca 0.00 -1.17 0.10 0.00 0.00 0.00 0.00 61.98 60.90 1qyn s VAL 55 Cb 0.00 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 1qyn s VAL 55 CO 0.00 0.07 -0.25 -0.31 0.00 0.00 0.00 175.10 174.60 1qyn s TYR 56 N 1.34 2.19 -0.11 5.22 1.51 0.11 0.13 117.35 127.74 1qyn s TYR 56 Ca -0.04 -0.40 -0.03 0.00 -1.01 0.00 0.00 57.07 55.60 1qyn s TYR 56 Cb -0.18 -1.24 -0.03 0.00 -0.11 0.00 0.00 41.96 40.40 1qyn s TYR 56 CO -0.07 0.22 0.01 -2.00 -1.11 0.00 0.00 175.55 172.60 1qyn s GLU 57 N -1.65 3.23 -0.07 -0.62 2.12 0.60 -0.22 118.70 122.10 1qyn s GLU 57 Ca 0.11 -0.40 0.03 0.00 0.36 0.00 0.00 54.97 55.07 1qyn s GLU 57 Cb -0.10 -2.88 0.00 0.00 0.26 0.00 0.00 34.13 31.42 1qyn s GLU 57 CO 0.04 0.58 -0.17 0.08 -0.54 0.00 0.00 175.26 175.25 1qyn s VAL 58 N -0.54 1.49 -0.10 3.70 1.01 0.01 -1.36 120.40 124.62 1qyn s VAL 58 Ca 0.09 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.41 1qyn s VAL 58 Cb -0.12 -1.31 -0.00 0.00 0.00 0.00 0.00 36.38 34.95 1qyn s VAL 58 CO 0.02 0.43 -0.24 -0.69 0.00 0.00 0.00 175.10 174.63 1qyn s VAL 59 N 0.39 2.04 -0.17 2.92 1.01 -0.09 -0.71 120.40 125.79 1qyn s VAL 59 Ca -0.13 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 60.83 1qyn s VAL 59 Cb -0.15 -1.76 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 1qyn s VAL 59 CO 0.05 0.56 -0.12 -0.22 0.00 0.00 0.00 175.10 175.37 1qyn s LEU 60 N 0.33 2.64 -0.18 3.92 0.20 0.93 -2.29 118.68 124.22 1qyn s LEU 60 Ca -0.18 -0.42 -0.05 0.00 0.69 0.00 0.00 54.13 54.17 1qyn s LEU 60 Cb -0.18 -1.62 -0.03 0.00 -0.43 0.00 0.00 46.19 43.94 1qyn s LEU 60 CO 0.09 0.07 -0.01 -0.60 -0.29 0.00 0.00 176.35 175.61 1qyn s ARG 61 N 0.91 3.64 -0.14 1.98 3.52 0.41 0.01 118.95 129.28 1qyn s ARG 61 Ca -0.03 -0.52 0.02 0.00 -0.13 0.00 0.00 55.73 55.08 1qyn s ARG 61 Cb -0.15 -3.03 0.01 0.00 -1.56 0.00 0.00 34.95 30.22 1qyn s ARG 61 CO -0.01 0.10 -0.20 0.08 -0.81 0.00 0.00 175.30 174.45 1qyn s VAL 62 N 0.77 2.20 -0.11 7.11 1.01 0.12 -1.50 120.40 129.99 1qyn s VAL 62 Ca -0.00 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.08 1qyn s VAL 62 Cb -0.14 -1.89 -0.00 0.00 0.00 0.00 0.00 36.38 34.34 1qyn s VAL 62 CO 0.02 0.54 -0.21 -0.89 0.00 0.00 0.00 175.10 174.56 1qyn s THR 63 N 0.82 2.30 -0.07 3.92 2.01 -0.05 -1.42 115.64 123.16 1qyn s THR 63 Ca -0.07 -0.93 0.03 0.00 0.31 0.00 0.00 61.69 61.03 1qyn s THR 63 Cb -0.15 -1.90 0.01 0.00 0.01 0.00 0.00 72.50 70.46 1qyn s THR 63 CO -0.02 0.55 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.63 1qyn s VAL 64 N 0.35 1.31 -0.07 3.82 1.01 0.17 -1.23 120.40 125.77 1qyn s VAL 64 Ca -0.17 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.25 1qyn s VAL 64 Cb -0.17 -1.18 0.01 0.00 0.00 0.00 0.00 36.38 35.04 1qyn s VAL 64 CO 0.08 0.39 -0.16 -0.89 0.00 0.00 0.00 175.10 174.53 1qyn s THR 65 N 0.53 1.39 -0.09 3.92 2.01 -0.61 -0.14 115.64 122.64 1qyn s THR 65 Ca -0.14 -0.64 0.02 0.00 0.31 0.00 0.00 61.69 61.24 1qyn s THR 65 Cb -0.16 -1.23 0.01 0.00 0.01 0.00 0.00 72.50 71.13 1qyn s THR 65 CO 0.04 0.41 -0.14 0.00 -0.69 0.00 0.00 174.62 174.24 1qyn s ALA 66 N 0.47 1.55 0.08 7.40 0.00 -0.63 -0.53 121.76 130.09 1qyn s ALA 66 Ca -0.13 -0.62 0.06 0.00 0.00 0.00 0.00 51.96 51.26 1qyn s ALA 66 Cb -0.15 -0.75 -0.03 0.00 0.00 0.00 0.00 23.12 22.19 1qyn s ALA 66 CO 0.05 -0.02 -0.16 -1.12 0.00 0.00 0.00 175.76 174.51 1qyn s SER 67 N 0.90 1.93 -0.76 0.00 0.01 -0.93 0.54 113.70 115.38 1qyn s SER 67 Ca -0.09 -0.62 0.03 0.00 1.31 0.00 0.00 55.95 56.58 1qyn s SER 67 Cb -0.15 -0.08 0.30 0.00 0.21 0.00 0.00 66.02 66.30 1qyn s SER 67 CO 0.00 -0.02 1.13 0.18 0.41 0.00 0.00 173.24 174.94 1qyn n LEU 68 N 1.29 5.10 0.00 2.44 4.77 0.10 -0.53 117.00 130.17 1qyn n LEU 68 Ca -0.20 -5.48 0.00 0.00 -0.03 0.00 0.00 56.01 50.30 1qyn n LEU 68 Cb 0.54 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 1qyn n LEU 68 CO 0.22 2.09 0.00 0.61 -1.33 0.00 0.00 177.39 178.98 1qyn n GLY 69 N 0.41 1.00 0.22 -0.72 0.00 -1.26 -3.76 105.19 101.08 1qyn n GLY 69 Ca 0.33 -0.82 0.05 0.00 0.00 0.00 0.00 46.02 45.57 1qyn n GLY 69 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qyn n GLU 70 N 0.00 2.10 -3.49 1.61 -0.58 -1.26 -4.91 120.64 114.11 1qyn n GLU 70 Ca 0.00 -0.59 -0.42 0.00 -0.42 0.00 0.00 57.16 55.73 1qyn n GLU 70 Cb 0.00 -1.08 -0.10 0.00 -0.57 0.00 0.00 31.44 29.69 1qyn n GLU 70 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1qyn s GLU 71 N -1.34 3.16 0.11 3.49 2.12 -1.25 -5.06 118.70 119.93 1qyn s GLU 71 Ca 0.08 -0.89 -0.31 0.00 0.36 0.00 0.00 54.97 54.21 1qyn s GLU 71 Cb 0.08 -3.91 -0.09 0.00 0.26 0.00 0.00 34.13 30.47 1qyn s GLU 71 CO 0.25 -0.64 1.52 0.99 -0.54 0.00 0.00 175.26 176.84 1qyn s THR 72 N 1.69 3.03 -0.13 -1.70 2.01 -1.26 -0.72 115.64 118.56 1qyn s THR 72 Ca 0.05 0.66 -0.21 0.00 0.31 0.00 0.00 61.69 62.50 1qyn s THR 72 Cb -0.18 -3.43 -0.19 0.00 0.01 0.00 0.00 72.50 68.71 1qyn s THR 72 CO 0.10 0.03 0.54 0.00 -0.69 0.00 0.00 174.62 174.61 1qyn h ALA 73 N 7.29 0.01 -2.02 7.40 0.00 -0.24 -3.41 119.26 128.29 1qyn h ALA 73 Ca -0.42 -0.42 0.06 0.00 0.00 0.00 0.00 54.91 54.14 1qyn h ALA 73 Cb 1.20 0.05 -0.18 0.00 0.00 0.00 0.00 17.79 18.85 1qyn h ALA 73 CO 0.90 0.04 0.44 -0.59 0.00 0.00 0.00 179.25 180.05 1qyn s PHE 74 N -2.07 -0.42 -0.08 0.00 -0.12 -1.06 -4.50 117.98 109.73 1qyn s PHE 74 Ca -0.15 0.52 0.04 0.00 -0.05 0.00 0.00 56.93 57.29 1qyn s PHE 74 Cb -0.02 0.49 0.00 0.00 -0.63 0.00 0.00 43.02 42.86 1qyn s PHE 74 CO 0.51 -0.50 -0.21 -1.17 -0.05 0.00 0.00 175.22 173.80 1qyn s LEU 75 N -1.79 1.96 -0.10 -1.99 2.96 0.20 -1.61 118.68 118.31 1qyn s LEU 75 Ca -0.00 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.45 1qyn s LEU 75 Cb -0.01 -1.21 0.02 0.00 0.50 0.00 0.00 46.19 45.49 1qyn s LEU 75 CO -0.02 0.15 -0.09 0.00 -1.32 0.00 0.00 176.35 175.06 1qyn s GLU 77 N 1.34 1.10 -0.09 0.00 2.12 0.90 0.44 118.70 124.51 1qyn s GLU 77 Ca -0.02 -0.48 -0.05 0.00 0.36 0.00 0.00 54.97 54.78 1qyn s GLU 77 Cb -0.14 -1.06 0.04 0.00 0.26 0.00 0.00 34.13 33.23 1qyn s GLU 77 CO -0.04 0.29 0.22 0.08 -0.54 0.00 0.00 175.26 175.27 1qyn s VAL 78 N -0.31 -0.04 -0.42 3.70 1.01 -0.51 -0.12 120.40 123.72 1qyn s VAL 78 Ca 0.05 0.13 -0.07 0.00 0.00 0.00 0.00 61.98 62.09 1qyn s VAL 78 Cb -0.05 -0.34 0.09 0.00 0.00 0.00 0.00 36.38 36.08 1qyn s VAL 78 CO -0.01 0.05 0.24 -1.10 0.00 0.00 0.00 175.10 174.29 1qyn s GLN 79 N 1.05 2.39 -0.34 2.72 -0.21 -0.09 -0.71 119.66 124.47 1qyn s GLN 79 Ca -0.08 -1.62 -0.14 0.00 0.02 0.00 0.00 55.36 53.55 1qyn s GLN 79 Cb -0.09 -3.71 -0.01 0.00 1.00 0.00 0.00 33.01 30.19 1qyn s GLN 79 CO -0.07 -1.02 0.29 -1.14 -2.12 0.00 0.00 175.29 171.24 1qyn s GLN 80 N 1.32 3.50 0.37 2.91 2.00 0.10 -0.88 119.66 128.98 1qyn s GLN 80 Ca 0.04 -0.58 0.08 0.00 -2.00 0.00 0.00 55.36 52.90 1qyn s GLN 80 Cb -0.23 -3.81 -0.03 0.00 0.80 0.00 0.00 33.01 29.73 1qyn s GLN 80 CO -0.01 -0.49 0.27 0.20 -0.50 0.00 0.00 175.29 174.76 1qyn s GLY 81 N 1.73 2.00 -0.21 2.59 0.00 0.13 -0.05 107.32 113.51 1qyn s GLY 81 Ca 0.08 -1.83 -0.24 0.00 0.00 0.00 0.00 44.72 42.73 1qyn s GLY 81 CO 0.11 -1.70 0.66 -0.32 0.00 0.00 0.00 173.10 171.85 1qyn s GLY 82 N -3.99 -0.51 -0.18 0.20 0.00 0.11 -1.54 107.32 101.42 1qyn s GLY 82 Ca 0.42 1.76 -0.07 0.00 0.00 0.00 0.00 44.72 46.83 1qyn s GLY 82 CO 0.25 1.48 0.06 -0.42 0.00 0.00 0.00 173.10 174.47 1qyn s ILE 83 N 0.06 4.73 0.00 0.90 1.01 -0.13 -0.81 121.20 126.95 1qyn s ILE 83 Ca -0.02 -0.06 0.05 0.00 0.00 0.00 0.00 60.65 60.62 1qyn s ILE 83 Cb -0.04 -3.13 -0.02 0.00 0.01 0.00 0.00 42.46 39.29 1qyn s ILE 83 CO 0.02 0.46 -0.16 -0.36 0.00 0.00 0.00 174.94 174.90 1qyn s PHE 84 N 0.41 1.44 -0.53 3.97 0.40 0.70 -0.76 117.98 123.62 1qyn s PHE 84 Ca 0.03 -0.29 -0.17 0.00 -0.60 0.00 0.00 56.93 55.90 1qyn s PHE 84 Cb -0.13 -0.91 0.10 0.00 0.51 0.00 0.00 43.02 42.60 1qyn s PHE 84 CO 0.00 -0.00 0.52 -1.12 0.70 0.00 0.00 175.22 175.32 1qyn s SER 85 N -0.58 6.18 0.01 1.36 0.01 0.58 -0.71 113.70 120.54 1qyn s SER 85 Ca 0.06 -1.51 0.08 0.00 1.31 0.00 0.00 55.95 55.89 1qyn s SER 85 Cb -0.07 -2.23 -0.03 0.00 0.21 0.00 0.00 66.02 63.91 1qyn s SER 85 CO -0.00 -0.85 -0.24 -0.63 0.41 0.00 0.00 173.24 171.93 1qyn s ILE 86 N 1.90 2.29 -0.01 1.44 -1.09 -0.14 -1.62 121.20 123.97 1qyn s ILE 86 Ca 0.06 -1.18 -0.28 0.00 -2.23 0.00 0.00 60.65 57.02 1qyn s ILE 86 Cb -0.26 -1.86 0.10 0.00 -1.58 0.00 0.00 42.46 38.85 1qyn s ILE 86 CO 0.05 0.48 0.83 0.00 -1.23 0.00 0.00 174.94 175.07 1qyn s ALA 87 N -0.73 -1.80 0.00 9.38 0.00 -0.92 -4.42 121.76 123.27 1qyn s ALA 87 Ca 0.11 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.15 1qyn s ALA 87 Cb -0.10 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.24 1qyn s ALA 87 CO 0.01 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 175.60 1qyn n GLY 88 N 0.09 1.02 3.18 0.00 0.00 -1.26 -1.06 105.19 107.15 1qyn n GLY 88 Ca -0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.26 0.81 0.00 -0.61 -0.00 -1.26 -4.69 121.20 113.19 1qyn s ILE 89 Ca 0.00 -1.88 0.00 0.00 -0.00 0.00 0.00 60.65 58.77 1qyn s ILE 89 Cb 0.00 -1.62 0.00 0.00 -0.00 0.00 0.00 42.46 40.84 1qyn s ILE 89 CO 0.00 -0.79 0.00 -0.62 -0.00 0.00 0.00 174.94 173.53 1qyn n GLU 90 N 0.07 0.00 0.00 0.37 -0.58 -1.26 -4.64 120.64 114.60 1qyn n GLU 90 Ca -0.13 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.61 1qyn n GLU 90 Cb 0.60 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.47 1qyn n GLU 90 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qyn n GLY 91 N 0.00 2.69 0.30 0.62 0.00 -1.26 -1.41 105.19 106.13 1qyn n GLY 91 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 1.18 0.31 2.61 1.35 -2.00 -0.32 112.91 116.04 1qyn h THR 92 Ca 0.00 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 1qyn h THR 92 Cb 0.00 0.62 -0.02 0.00 -1.73 0.00 0.00 68.15 67.02 1qyn h THR 92 CO 0.00 0.22 -0.33 1.56 -0.25 0.00 0.00 175.52 176.72 1qyn h GLN 93 N 0.67 -0.66 -0.64 4.72 4.20 -1.64 0.22 115.11 121.97 1qyn h GLN 93 Ca 0.16 0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.88 1qyn h GLN 93 Cb 0.14 0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 1qyn h GLN 93 CO -0.02 -0.44 0.25 1.98 -0.67 0.00 0.00 178.83 179.93 1qyn h MET 94 N -0.68 0.95 -0.64 1.46 4.05 -1.15 -1.63 114.93 117.29 1qyn h MET 94 Ca -0.01 -0.16 -0.02 0.00 -0.28 0.00 0.00 59.70 59.23 1qyn h MET 94 Cb 0.63 -0.16 -0.03 0.00 -0.80 0.00 0.00 31.60 31.23 1qyn h MET 94 CO -0.07 0.78 0.31 0.00 0.23 0.00 0.00 176.91 178.16 1qyn h ALA 95 N 1.34 1.35 -0.32 0.39 0.00 -0.40 -1.53 119.26 120.09 1qyn h ALA 95 Ca 0.22 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1qyn h ALA 95 Cb 0.19 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1qyn h ALA 95 CO -0.02 0.51 -0.37 1.25 0.00 0.00 0.00 179.25 180.63 1qyn h HIS 96 N 0.90 0.98 -0.76 0.00 6.17 0.01 -0.94 115.15 121.51 1qyn h HIS 96 Ca 0.22 -0.31 0.00 0.00 0.71 0.00 0.00 60.37 61.00 1qyn h HIS 96 Cb 0.08 -0.20 -0.04 0.00 2.52 0.00 0.00 27.41 29.78 1qyn h HIS 96 CO 0.01 1.10 0.48 0.00 0.71 0.00 0.00 177.93 180.23 1qyn h LEU 98 N 1.04 0.08 0.00 0.00 3.38 -1.28 0.35 115.31 118.88 1qyn h LEU 98 Ca 0.28 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1qyn h LEU 98 Cb -0.07 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1qyn h LEU 98 CO -0.05 1.07 -1.15 0.61 0.09 0.00 0.00 178.44 179.01 1qyn n GLY 99 N 1.41 -1.22 1.42 0.83 0.00 -0.36 -4.35 105.19 102.91 1qyn n GLY 99 Ca -0.04 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.94 3.00 0.32 4.61 0.00 0.98 -4.73 120.51 122.75 1qyn n ALA 100 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.28 1qyn n ALA 100 Cb 0.47 0.16 -0.09 0.00 0.00 0.00 0.00 19.45 20.00 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 -0.82 0.19 0.00 3.20 -1.44 -1.47 116.97 116.62 1qyn h TYR 101 Ca 0.00 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 1qyn h TYR 101 Cb 0.05 0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 1qyn h TYR 101 CO 0.00 -0.49 -0.13 0.00 -1.64 0.00 0.00 178.16 175.90 1qyn h PRO 103 N -0.31 0.00 -0.10 0.00 0.13 -1.75 -0.63 132.00 129.33 1qyn h PRO 103 Ca -0.01 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.05 1qyn h PRO 103 Cb 0.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.39 1qyn h PRO 103 CO 0.01 0.00 -0.23 -0.97 -0.23 0.00 0.00 178.00 176.58 1qyn h ASN 104 N 0.00 0.17 0.06 1.44 -0.73 -0.47 -0.39 115.58 115.65 1qyn h ASN 104 Ca 0.07 -0.04 -0.16 0.00 1.87 0.00 0.00 56.30 58.04 1qyn h ASN 104 Cb 0.29 -0.04 -0.01 0.00 0.27 0.00 0.00 38.32 38.82 1qyn h ASN 104 CO -0.00 0.41 -0.55 0.40 -0.37 0.00 0.00 177.43 177.32 1qyn h ILE 105 N 0.16 1.33 0.00 2.57 1.08 -0.68 -3.27 117.51 118.70 1qyn h ILE 105 Ca 0.03 -1.80 -0.16 0.00 -0.39 0.00 0.00 64.86 62.54 1qyn h ILE 105 Cb 0.50 1.78 -0.02 0.00 -3.07 0.00 0.00 36.82 36.01 1qyn h ILE 105 CO 0.03 0.56 -0.77 -0.07 -0.69 0.00 0.00 178.15 177.21 1qyn h LEU 106 N 0.40 0.00 -0.41 1.44 3.38 -0.72 -3.38 115.31 116.01 1qyn h LEU 106 Ca 0.01 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.04 1qyn h LEU 106 Cb 1.08 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.78 1qyn h LEU 106 CO 0.10 0.73 0.11 0.15 0.09 0.00 0.00 178.44 179.62 1qyn h PHE 107 N 0.00 0.19 -0.98 1.13 3.57 -1.14 -2.09 116.94 117.63 1qyn h PHE 107 Ca -0.02 0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.69 1qyn h PHE 107 Cb 1.57 -0.02 -0.11 0.00 2.79 0.00 0.00 35.95 40.18 1qyn h PHE 107 CO 0.00 0.05 0.58 -1.35 -2.23 0.00 0.00 178.31 175.36 1qyn h PRO 108 N 0.26 0.71 -0.15 6.41 0.11 -1.76 0.53 132.00 138.10 1qyn h PRO 108 Ca 0.20 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 66.08 1qyn h PRO 108 Cb 0.22 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.16 1qyn h PRO 108 CO -0.23 0.47 -0.64 1.88 -0.21 0.00 0.00 178.00 179.26 1qyn h TYR 109 N 0.73 0.74 -0.42 0.65 -1.99 -1.67 -2.50 116.97 112.50 1qyn h TYR 109 Ca 0.56 -0.29 -0.13 0.00 2.00 0.00 0.00 58.73 60.87 1qyn h TYR 109 Cb 0.87 -0.13 -0.01 0.00 2.00 0.00 0.00 36.73 39.46 1qyn h TYR 109 CO -0.02 1.06 -0.26 0.00 -0.00 0.00 0.00 178.16 178.94 1qyn h ALA 110 N 0.87 0.75 -0.27 3.88 0.00 -0.39 -2.14 119.26 121.96 1qyn h ALA 110 Ca -0.01 -0.40 0.06 0.00 0.00 0.00 0.00 54.91 54.56 1qyn h ALA 110 Cb 1.22 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 1qyn h ALA 110 CO 0.12 0.66 -0.12 -0.09 0.00 0.00 0.00 179.25 179.82 1qyn h ARG 111 N 0.75 -0.07 -0.70 0.00 2.43 0.11 -1.26 114.38 115.64 1qyn h ARG 111 Ca 0.09 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.21 1qyn h ARG 111 Cb 0.81 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.35 1qyn h ARG 111 CO 0.07 -0.05 0.22 1.49 -1.51 0.00 0.00 179.97 180.19 1qyn h GLU 112 N -0.08 1.09 -0.81 0.20 4.22 -1.35 -0.31 114.58 117.53 1qyn h GLU 112 Ca 0.14 -0.23 0.00 0.00 0.08 0.00 0.00 59.36 59.35 1qyn h GLU 112 Cb 0.29 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 1qyn h GLU 112 CO -0.32 0.93 0.52 0.00 -2.18 0.00 0.00 179.01 177.97 1qyn h ILE 114 N 1.10 1.33 -0.43 0.00 2.04 -0.89 -1.78 117.51 118.88 1qyn h ILE 114 Ca 0.30 -1.20 0.08 0.00 1.00 0.00 0.00 64.86 65.03 1qyn h ILE 114 Cb -0.11 1.83 -0.07 0.00 -0.74 0.00 0.00 36.82 37.73 1qyn h ILE 114 CO -0.06 0.35 -0.02 0.74 0.00 0.00 0.00 178.15 179.16 1qyn h THR 115 N -0.05 0.65 -0.50 -0.27 2.02 -0.80 0.28 112.91 114.25 1qyn h THR 115 Ca 0.03 -0.03 0.03 0.00 0.77 0.00 0.00 66.41 67.21 1qyn h THR 115 Cb 0.60 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 67.53 1qyn h THR 115 CO 0.03 0.02 0.28 -1.28 0.37 0.00 0.00 175.52 174.94 1qyn h SER 116 N 0.09 0.44 0.04 4.18 0.87 -0.84 0.88 113.55 119.21 1qyn h SER 116 Ca 0.21 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1qyn h SER 116 Cb 0.31 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1qyn h SER 116 CO -0.37 0.31 -0.02 0.24 -0.53 0.00 0.00 176.83 176.46 1qyn h MET 117 N 0.56 -0.05 -0.68 2.24 2.07 -0.70 0.13 114.93 118.51 1qyn h MET 117 Ca 0.21 0.00 0.05 0.00 -2.07 0.00 0.00 59.70 57.89 1qyn h MET 117 Cb 0.06 0.01 -0.05 0.00 -1.87 0.00 0.00 31.60 29.75 1qyn h MET 117 CO -0.11 0.03 0.40 0.28 1.07 0.00 0.00 176.91 178.58 1qyn h VAL 118 N -0.12 1.02 -0.55 -2.22 2.07 -0.63 -0.22 116.25 115.59 1qyn h VAL 118 Ca -0.01 -0.26 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 1qyn h VAL 118 Cb 0.11 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 1qyn h VAL 118 CO 0.01 0.14 0.05 -1.28 0.02 0.00 0.00 177.57 176.51 1qyn h SER 119 N 0.75 0.87 -0.52 0.57 0.87 -0.56 -1.98 113.55 113.55 1qyn h SER 119 Ca 0.29 -0.20 -0.05 0.00 -1.23 0.00 0.00 61.79 60.59 1qyn h SER 119 Cb 0.12 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 61.83 1qyn h SER 119 CO -0.15 0.90 0.14 0.03 -0.53 0.00 0.00 176.83 177.22 1qyn h ARG 120 N 0.85 0.88 0.00 2.24 3.08 0.11 -0.99 114.38 120.55 1qyn h ARG 120 Ca 0.17 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1qyn h ARG 120 Cb 0.43 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1qyn h ARG 120 CO 0.02 0.79 0.00 0.78 -1.07 0.00 0.00 179.97 180.49 1qyn h GLY 121 N 1.00 0.00 -0.76 0.04 0.00 -0.34 -3.46 103.07 99.54 1qyn h GLY 121 Ca 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.46 1qyn h GLY 121 CO -0.00 0.00 -0.08 -0.37 0.00 0.00 0.00 176.54 176.09 1qyn n THR 122 N -2.59 -0.21 -3.78 4.70 5.66 -0.38 -5.06 114.28 112.61 1qyn n THR 122 Ca -0.00 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.79 1qyn n THR 122 Cb 0.16 -1.12 -0.02 0.00 -1.55 0.00 0.00 70.33 67.79 1qyn n THR 122 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 1qyn s PHE 123 N -2.40 3.26 0.66 1.09 0.40 -1.03 -5.04 117.98 114.92 1qyn s PHE 123 Ca 0.02 -0.12 -0.17 0.00 -0.60 0.00 0.00 56.93 56.06 1qyn s PHE 123 Cb -0.01 -1.73 -0.02 0.00 0.51 0.00 0.00 43.02 41.77 1qyn s PHE 123 CO 0.03 0.26 1.03 -2.30 0.70 0.00 0.00 175.22 174.94 1qyn n PRO 124 N -1.48 0.77 -1.70 0.24 -0.02 -1.26 -4.47 135.00 127.08 1qyn n PRO 124 Ca -0.05 0.31 -0.43 0.00 -2.02 0.00 0.00 63.50 61.32 1qyn n PRO 124 Cb 0.58 -2.26 -0.01 0.00 -0.02 0.00 0.00 33.50 31.78 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 -1.57 2.16 -3.87 -0.52 7.27 -1.26 -4.84 117.38 114.77 1qyn n GLN 125 Ca 0.14 0.76 -0.27 0.00 0.07 0.00 0.00 57.00 57.70 1qyn n GLN 125 Cb 0.48 -2.37 -0.17 0.00 2.41 0.00 0.00 30.24 30.60 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 -0.91 1.24 -0.28 1.69 2.96 -1.26 -5.10 118.68 117.02 1qyn s LEU 126 Ca 0.57 -0.43 0.02 0.00 -0.22 0.00 0.00 54.13 54.07 1qyn s LEU 126 Cb -0.57 -0.79 0.07 0.00 0.50 0.00 0.00 46.19 45.41 1qyn s LEU 126 CO 0.60 -0.17 -0.03 0.20 -1.32 0.00 0.00 176.35 175.63 1qyn s ASN 127 N 1.73 4.35 0.37 3.68 0.01 -1.26 -4.09 114.94 119.73 1qyn s ASN 127 Ca 0.03 -1.58 -0.27 0.00 -0.71 0.00 0.00 52.86 50.33 1qyn s ASN 127 Cb -0.14 -1.42 -0.11 0.00 0.41 0.00 0.00 41.25 39.99 1qyn s ASN 127 CO -0.08 -0.27 1.21 0.18 -1.51 0.00 0.00 177.10 176.63 1qyn n LEU 128 N 4.47 3.37 -4.79 0.60 4.77 -1.26 -4.94 117.00 119.22 1qyn n LEU 128 Ca -0.07 1.15 -0.34 0.00 -0.03 0.00 0.00 56.01 56.72 1qyn n LEU 128 Cb 0.43 -1.45 -0.00 0.00 -2.33 0.00 0.00 43.42 40.07 1qyn n LEU 128 CO 0.20 -0.77 0.74 0.00 -1.33 0.00 0.00 177.39 176.22 1qyn s ALA 129 N -1.15 2.73 0.89 -1.18 0.00 -1.26 -4.98 121.76 116.80 1qyn s ALA 129 Ca 0.58 0.62 -0.11 0.00 0.00 0.00 0.00 51.96 53.05 1qyn s ALA 129 Cb -0.56 -3.29 0.13 0.00 0.00 0.00 0.00 23.12 19.40 1qyn s ALA 129 CO 0.60 -0.71 1.17 -2.14 0.00 0.00 0.00 175.76 174.67 1qyn s PRO 130 N -3.57 1.16 -0.05 0.00 0.02 -1.26 -5.02 135.00 126.29 1qyn s PRO 130 Ca 0.68 1.62 0.05 0.00 0.02 0.00 0.00 61.00 63.37 1qyn s PRO 130 Cb -0.19 -1.74 -0.01 0.00 0.02 0.00 0.00 34.50 32.58 1qyn s PRO 130 CO 0.29 -2.54 -0.20 0.08 -0.33 0.00 0.00 177.00 174.30 1qyn s VAL 131 N -2.50 1.67 -1.03 3.83 1.01 -1.26 -5.07 120.40 117.05 1qyn s VAL 131 Ca 0.69 -0.86 -0.19 0.00 0.00 0.00 0.00 61.98 61.62 1qyn s VAL 131 Cb -0.25 -1.42 0.11 0.00 0.00 0.00 0.00 36.38 34.83 1qyn s VAL 131 CO 0.56 0.47 1.31 0.21 0.00 0.00 0.00 175.10 177.65 1qyn s ASN 132 N -0.09 6.68 0.36 3.32 3.84 -1.26 -4.81 114.94 122.99 1qyn s ASN 132 Ca -0.02 -2.07 0.12 0.00 0.21 0.00 0.00 52.86 51.09 1qyn s ASN 132 Cb -0.12 -2.46 0.70 0.00 -0.55 0.00 0.00 41.25 38.82 1qyn s ASN 132 CO 0.02 -1.14 1.82 -0.26 -2.79 0.00 0.00 177.10 174.76 1qyn h PHE 133 N 8.72 0.05 0.00 0.43 -1.00 -1.96 -2.06 116.94 121.12 1qyn h PHE 133 Ca 0.22 -0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.94 1qyn h PHE 133 Cb 0.98 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.53 1qyn h PHE 133 CO 1.21 0.40 -0.20 -0.44 -1.61 0.00 0.00 178.31 177.66 1qyn h ASP 134 N 0.04 0.00 0.18 2.17 3.32 -1.87 -0.62 116.42 119.64 1qyn h ASP 134 Ca 0.00 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.75 1qyn h ASP 134 Cb 0.65 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.23 1qyn h ASP 134 CO 0.05 0.20 -1.31 0.00 -1.72 0.00 0.00 179.24 176.46 1qyn h ALA 135 N 1.80 -0.08 -0.05 3.45 0.00 -1.79 -2.93 119.26 119.66 1qyn h ALA 135 Ca -0.00 -0.80 -0.09 0.00 0.00 0.00 0.00 54.91 54.01 1qyn h ALA 135 Cb 0.36 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1qyn h ALA 135 CO 0.03 0.66 -0.41 -0.07 0.00 0.00 0.00 179.25 179.46 1qyn h LEU 136 N 0.18 0.11 -0.33 0.00 3.38 -1.16 -2.33 115.31 115.16 1qyn h LEU 136 Ca -0.21 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.63 1qyn h LEU 136 Cb 2.00 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.71 1qyn h LEU 136 CO 0.25 0.51 -0.14 0.15 0.09 0.00 0.00 178.44 179.30 1qyn h PHE 137 N 0.09 0.77 -0.64 1.13 3.57 -1.16 -2.93 116.94 117.76 1qyn h PHE 137 Ca 0.01 -0.18 -0.01 0.00 3.53 0.00 0.00 57.97 61.31 1qyn h PHE 137 Cb 0.76 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 1qyn h PHE 137 CO 0.01 0.87 0.37 0.52 -2.23 0.00 0.00 178.31 177.85 1qyn h MET 138 N 0.44 0.89 -0.95 1.11 2.86 -1.34 0.42 114.93 118.36 1qyn h MET 138 Ca 0.08 -0.10 0.07 0.00 -2.06 0.00 0.00 59.70 57.69 1qyn h MET 138 Cb 0.66 -0.18 -0.06 0.00 0.06 0.00 0.00 31.60 32.08 1qyn h MET 138 CO 0.04 0.66 0.62 -0.91 1.06 0.00 0.00 176.91 178.38 1qyn h ASN 139 N 0.88 0.96 0.06 1.22 2.35 -1.37 -1.58 115.58 118.10 1qyn h ASN 139 Ca 0.23 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1qyn h ASN 139 Cb 0.02 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.19 1qyn h ASN 139 CO -0.04 0.61 -0.03 0.22 -1.65 0.00 0.00 177.43 176.55 1qyn h TYR 140 N 1.09 -0.07 -1.05 1.19 3.20 -1.27 -3.26 116.97 116.80 1qyn h TYR 140 Ca 0.41 -0.00 0.30 0.00 3.14 0.00 0.00 58.73 62.58 1qyn h TYR 140 Cb 0.19 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.44 1qyn h TYR 140 CO -0.00 0.53 0.91 1.25 -1.64 0.00 0.00 178.16 179.21 1qyn h LEU 141 N -0.79 0.00 0.00 2.82 5.85 0.29 -3.52 115.31 119.97 1qyn h LEU 141 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1qyn h LEU 141 Cb 0.63 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.66 1qyn h LEU 141 CO 0.01 0.00 0.00 1.67 -0.34 0.00 0.00 178.44 179.78