#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qac s ILE 2 N 0.00 4.62 -0.17 0.53 1.01 -1.26 -5.02 121.20 120.91 1qac s ILE 2 Ca 0.00 1.89 -0.07 0.00 0.00 0.00 0.00 60.65 62.47 1qac s ILE 2 Cb 0.00 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 1qac s ILE 2 CO 0.00 0.15 0.08 -0.69 0.00 0.00 0.00 174.94 174.48 1qac s VAL 3 N 0.99 4.92 -0.17 2.92 1.01 -1.26 -4.73 120.40 124.07 1qac s VAL 3 Ca 0.54 0.01 -0.06 0.00 0.00 0.00 0.00 61.98 62.47 1qac s VAL 3 Cb -0.23 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 1qac s VAL 3 CO 0.28 0.49 0.02 -0.04 0.00 0.00 0.00 175.10 175.85 1qac s MET 4 N 0.09 3.84 -0.18 2.72 1.00 -1.26 -1.03 119.30 124.47 1qac s MET 4 Ca 0.06 -0.42 0.01 0.00 0.00 0.00 0.00 55.69 55.34 1qac s MET 4 Cb -0.12 -3.08 0.03 0.00 0.00 0.00 0.00 34.83 31.66 1qac s MET 4 CO 0.00 0.27 -0.17 0.99 0.00 0.00 0.00 175.02 176.12 1qac s THR 5 N 0.34 1.91 0.25 2.05 2.01 0.25 -4.35 115.64 118.11 1qac s THR 5 Ca -0.00 -0.94 0.07 0.00 0.31 0.00 0.00 61.69 61.12 1qac s THR 5 Cb -0.13 -1.80 -0.03 0.00 0.01 0.00 0.00 72.50 70.55 1qac s THR 5 CO 0.01 0.43 0.25 -1.10 -0.69 0.00 0.00 174.62 173.51 1qac s GLN 6 N 1.33 3.05 -0.28 4.92 -0.21 -1.26 -0.36 119.66 126.85 1qac s GLN 6 Ca 0.03 -0.99 -0.25 0.00 0.02 0.00 0.00 55.36 54.17 1qac s GLN 6 Cb -0.14 -2.64 0.11 0.00 1.00 0.00 0.00 33.01 31.34 1qac s GLN 6 CO -0.11 0.39 0.96 -1.54 -2.12 0.00 0.00 175.29 172.87 1qac s SER 7 N -3.89 -0.52 0.83 5.90 1.04 -0.60 -4.67 113.70 111.79 1qac s SER 7 Ca 0.34 1.00 -0.12 0.00 0.48 0.00 0.00 55.95 57.65 1qac s SER 7 Cb -0.08 1.01 0.09 0.00 0.10 0.00 0.00 66.02 67.14 1qac s SER 7 CO 0.26 -0.17 1.13 -2.16 0.98 0.00 0.00 173.24 173.28 1qac s PRO 8 N 0.25 1.84 0.20 4.02 0.04 -1.26 -0.99 135.00 139.11 1qac s PRO 8 Ca 0.02 0.35 0.09 0.00 0.04 0.00 0.00 61.00 61.51 1qac s PRO 8 Cb -0.05 -1.92 0.10 0.00 0.04 0.00 0.00 34.50 32.67 1qac s PRO 8 CO -0.05 -1.72 1.46 -0.44 0.04 0.00 0.00 177.00 176.29 1qac h ASP 9 N -1.16 0.00 -3.89 6.66 3.32 -1.83 -3.41 116.42 116.11 1qac h ASP 9 Ca -0.48 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.21 1qac h ASP 9 Cb 1.30 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.56 1qac h ASP 9 CO 0.63 0.79 -0.77 -0.55 -1.72 0.00 0.00 179.24 177.62 1qac s SER 10 N -6.77 0.83 -0.03 6.45 0.15 -1.26 -0.75 113.70 112.33 1qac s SER 10 Ca -0.00 -0.13 -0.00 0.00 0.70 0.00 0.00 55.95 56.52 1qac s SER 10 Cb 0.11 -0.14 0.03 0.00 -1.71 0.00 0.00 66.02 64.31 1qac s SER 10 CO 0.79 0.07 0.02 -0.22 1.20 0.00 0.00 173.24 175.10 1qac s LEU 11 N -0.01 0.94 -0.24 3.45 2.96 0.25 -4.91 118.68 121.13 1qac s LEU 11 Ca 0.01 0.02 -0.02 0.00 -0.22 0.00 0.00 54.13 53.92 1qac s LEU 11 Cb -0.04 -0.14 0.02 0.00 0.50 0.00 0.00 46.19 46.53 1qac s LEU 11 CO -0.00 -0.14 -0.06 0.00 -1.32 0.00 0.00 176.35 174.82 1qac s ALA 12 N 1.26 2.71 0.04 5.97 0.00 -1.26 -1.11 121.76 129.37 1qac s ALA 12 Ca -0.07 -1.38 0.06 0.00 0.00 0.00 0.00 51.96 50.57 1qac s ALA 12 Cb -0.13 -1.67 -0.02 0.00 0.00 0.00 0.00 23.12 21.30 1qac s ALA 12 CO -0.03 -0.71 -0.17 0.08 0.00 0.00 0.00 175.76 174.93 1qac s VAL 13 N 1.36 1.39 0.37 0.00 1.01 -0.79 -4.64 120.40 119.09 1qac s VAL 13 Ca 0.02 -1.09 -0.20 0.00 0.00 0.00 0.00 61.98 60.71 1qac s VAL 13 Cb -0.16 -1.22 -0.10 0.00 0.00 0.00 0.00 36.38 34.90 1qac s VAL 13 CO -0.05 0.11 0.87 -0.44 0.00 0.00 0.00 175.10 175.60 1qac s SER 14 N -1.13 6.96 0.31 3.32 0.01 -1.26 -1.42 113.70 120.48 1qac s SER 14 Ca 0.05 1.57 -0.29 0.00 1.31 0.00 0.00 55.95 58.59 1qac s SER 14 Cb -0.08 -2.49 -0.13 0.00 0.21 0.00 0.00 66.02 63.53 1qac s SER 14 CO 0.01 -0.24 1.23 0.18 0.41 0.00 0.00 173.24 174.83 1qac n LEU 15 N -0.28 2.94 0.00 2.44 4.77 -1.26 -1.18 117.00 124.43 1qac n LEU 15 Ca 0.05 1.19 0.00 0.00 -0.03 0.00 0.00 56.01 57.21 1qac n LEU 15 Cb 0.53 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.21 1qac n LEU 15 CO 0.40 -0.75 0.00 0.61 -1.33 0.00 0.00 177.39 176.31 1qac n GLY 16 N 1.16 2.39 3.98 -0.72 0.00 0.72 -4.84 105.19 107.88 1qac n GLY 16 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 1qac n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qac s GLU 17 N -0.13 2.60 0.11 1.61 2.02 -0.32 -4.07 118.70 120.51 1qac s GLU 17 Ca 0.00 -1.46 -0.24 0.00 0.02 0.00 0.00 54.97 53.29 1qac s GLU 17 Cb 0.00 -2.61 -0.07 0.00 0.10 0.00 0.00 34.13 31.55 1qac s GLU 17 CO 0.00 -0.42 0.73 0.50 0.02 0.00 0.00 175.26 176.09 1qac s ARG 18 N -4.38 4.48 -0.06 1.61 3.52 -1.26 -1.12 118.95 121.74 1qac s ARG 18 Ca 0.54 1.04 0.05 0.00 -0.13 0.00 0.00 55.73 57.23 1qac s ARG 18 Cb -0.07 -3.29 -0.02 0.00 -1.56 0.00 0.00 34.95 30.01 1qac s ARG 18 CO 0.33 0.49 -0.21 0.00 -0.81 0.00 0.00 175.30 175.10 1qac s ALA 19 N -0.79 2.34 -0.09 6.12 0.00 0.05 -4.94 121.76 124.45 1qac s ALA 19 Ca 0.35 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 51.31 1qac s ALA 19 Cb -0.22 -0.78 0.01 0.00 0.00 0.00 0.00 23.12 22.13 1qac s ALA 19 CO 0.24 0.46 -0.18 0.99 0.00 0.00 0.00 175.76 177.26 1qac s THR 20 N -0.35 1.61 -0.07 0.00 2.01 -1.26 -1.48 115.64 116.10 1qac s THR 20 Ca 0.02 -0.75 0.02 0.00 0.31 0.00 0.00 61.69 61.29 1qac s THR 20 Cb -0.12 -1.42 0.01 0.00 0.01 0.00 0.00 72.50 70.98 1qac s THR 20 CO 0.02 0.46 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.65 1qac s ILE 21 N 0.53 1.24 0.08 1.82 1.01 -0.03 -4.75 121.20 121.09 1qac s ILE 21 Ca -0.16 -0.54 0.04 0.00 0.00 0.00 0.00 60.65 59.99 1qac s ILE 21 Cb -0.17 -1.12 -0.04 0.00 0.01 0.00 0.00 42.46 41.14 1qac s ILE 21 CO 0.06 0.38 0.04 0.20 0.00 0.00 0.00 174.94 175.62 1qac s ASN 22 N 0.64 5.32 -0.07 3.58 -0.87 -0.16 -0.62 114.94 122.75 1qac s ASN 22 Ca -0.15 -0.07 -0.04 0.00 -1.57 0.00 0.00 52.86 51.03 1qac s ASN 22 Cb -0.16 -1.37 0.04 0.00 -0.02 0.00 0.00 41.25 39.74 1qac s ASN 22 CO 0.04 0.18 0.17 0.00 -2.57 0.00 0.00 177.10 174.92 1qac s LYS 24 N 1.08 2.27 -0.08 0.00 2.20 0.52 -1.24 119.74 124.49 1qac s LYS 24 Ca -0.08 -0.77 -0.04 0.00 -0.36 0.00 0.00 55.97 54.72 1qac s LYS 24 Cb -0.10 -1.91 -0.04 0.00 -1.51 0.00 0.00 37.83 34.27 1qac s LYS 24 CO -0.06 0.30 0.10 -1.54 -0.36 0.00 0.00 175.35 173.79 1qac s SER 25 N -0.01 5.97 0.34 1.43 1.04 -0.59 -0.58 113.70 121.29 1qac s SER 25 Ca -0.05 0.31 0.26 0.00 0.48 0.00 0.00 55.95 56.95 1qac s SER 25 Cb -0.13 -1.83 1.14 0.00 0.10 0.00 0.00 66.02 65.30 1qac s SER 25 CO 0.04 0.36 1.79 0.77 0.98 0.00 0.00 173.24 177.17 1qac h SER 26 N 4.72 0.00 -4.74 7.02 4.64 -1.42 -3.43 113.55 120.33 1qac h SER 26 Ca -0.52 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.64 1qac h SER 26 Cb 1.21 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.08 1qac h SER 26 CO 0.59 0.00 -0.56 -1.10 -0.87 0.00 0.00 176.83 174.89 1qac s GLN 27 N -3.45 0.37 0.36 4.77 -0.21 -1.26 -4.95 119.66 115.29 1qac s GLN 27 Ca 0.02 -0.35 -0.27 0.00 0.02 0.00 0.00 55.36 54.79 1qac s GLN 27 Cb 0.09 0.15 -0.12 0.00 1.00 0.00 0.00 33.01 34.13 1qac s GLN 27 CO 0.40 -0.08 1.27 0.45 -2.12 0.00 0.00 175.29 175.22 1qac n SER 27 N 1.80 2.64 -0.49 5.90 2.88 -1.26 -4.77 113.62 120.32 1qac n SER 27 Ca -0.21 1.18 0.09 0.00 -1.33 0.00 0.00 58.87 58.60 1qac n SER 27 Cb 0.56 -1.48 0.20 0.00 -0.75 0.00 0.00 64.21 62.74 1qac n SER 27 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1qac n VAL 27 N 0.17 2.04 -3.24 2.46 0.24 -0.38 -4.97 118.33 114.66 1qac n VAL 27 Ca 0.05 -2.01 -0.40 0.00 -2.04 0.00 0.00 64.34 59.94 1qac n VAL 27 Cb 0.37 -0.21 -0.07 0.00 -1.47 0.00 0.00 33.84 32.46 1qac n VAL 27 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1qac s LEU 27 N -2.76 4.06 0.00 1.34 2.96 -1.26 -1.16 118.68 121.86 1qac s LEU 27 Ca 0.36 0.54 0.00 0.00 -0.22 0.00 0.00 54.13 54.81 1qac s LEU 27 Cb 0.30 -2.67 0.00 0.00 0.50 0.00 0.00 46.19 44.32 1qac s LEU 27 CO 0.06 -0.27 0.00 0.00 -1.32 0.00 0.00 176.35 174.82 1qac n TYR 27 N 5.45 -1.99 0.00 5.38 9.36 -0.34 -4.94 117.16 130.08 1qac n TYR 27 Ca -0.04 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.18 1qac n TYR 27 Cb 0.50 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.21 1qac n TYR 27 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1qac n SER 27 N -1.80 0.00 -0.19 2.98 3.41 -1.26 0.53 113.62 117.29 1qac n SER 27 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.63 1qac n SER 27 Cb 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 1qac n SER 27 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1qac n ASN 28 N 0.00 1.42 -3.76 4.04 0.23 -1.26 -5.01 115.26 110.91 1qac n ASN 28 Ca 0.00 -1.22 -0.28 0.00 -0.53 0.00 0.00 54.58 52.56 1qac n ASN 28 Cb 0.00 -0.00 0.05 0.00 -2.08 0.00 0.00 39.78 37.74 1qac n ASN 28 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1qac n SER 29 N 0.26 -5.46 -4.53 0.53 7.64 0.19 -4.98 113.62 107.26 1qac n SER 29 Ca 0.03 -0.67 -0.33 0.00 1.01 0.00 0.00 58.87 58.91 1qac n SER 29 Cb 0.12 -4.33 -0.12 0.00 -1.01 0.00 0.00 64.21 58.87 1qac n SER 29 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1qac s LYS 30 N -6.48 2.57 -0.32 1.43 1.02 -1.19 -4.87 119.74 111.90 1qac s LYS 30 Ca 0.63 -0.66 -0.17 0.00 0.02 0.00 0.00 55.97 55.78 1qac s LYS 30 Cb -0.30 -2.46 -0.01 0.00 -0.52 0.00 0.00 37.83 34.54 1qac s LYS 30 CO 0.77 0.63 0.47 -0.80 -0.92 0.00 0.00 175.35 175.51 1qac s ASN 31 N -0.88 6.31 -1.54 2.83 0.01 -1.26 -1.20 114.94 119.20 1qac s ASN 31 Ca 0.13 0.07 -0.11 0.00 -0.71 0.00 0.00 52.86 52.23 1qac s ASN 31 Cb -0.11 -2.25 -0.03 0.00 0.41 0.00 0.00 41.25 39.27 1qac s ASN 31 CO 0.02 -0.39 2.65 -1.22 -1.51 0.00 0.00 177.10 176.65 1qac n TYR 32 N 5.61 2.83 -4.74 2.20 4.02 -0.31 -3.55 117.16 123.22 1qac n TYR 32 Ca -0.06 -3.03 -0.26 0.00 -0.01 0.00 0.00 57.90 54.54 1qac n TYR 32 Cb 0.49 -2.47 -0.16 0.00 -0.02 0.00 0.00 39.34 37.19 1qac n TYR 32 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1qac s LEU 33 N 0.72 1.81 0.11 7.72 1.98 -1.26 -1.80 118.68 127.96 1qac s LEU 33 Ca 0.60 -0.34 0.04 0.00 -2.89 0.00 0.00 54.13 51.54 1qac s LEU 33 Cb 0.16 -0.92 -0.04 0.00 0.66 0.00 0.00 46.19 46.05 1qac s LEU 33 CO -0.07 0.10 -0.10 0.00 -1.89 0.00 0.00 176.35 174.39 1qac s ALA 34 N 0.33 1.21 -0.04 5.97 0.00 -0.09 -0.61 121.76 128.53 1qac s ALA 34 Ca -0.10 -1.29 0.07 0.00 0.00 0.00 0.00 51.96 50.65 1qac s ALA 34 Cb -0.14 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 1qac s ALA 34 CO 0.03 -0.06 -0.25 -1.58 0.00 0.00 0.00 175.76 173.90 1qac s TRP 35 N -2.75 2.40 0.11 0.00 0.52 0.11 -0.37 118.94 118.96 1qac s TRP 35 Ca 0.09 -0.58 0.10 0.00 0.02 0.00 0.00 56.10 55.73 1qac s TRP 35 Cb -0.01 -1.56 -0.04 0.00 -1.15 0.00 0.00 33.47 30.72 1qac s TRP 35 CO -0.00 -0.13 -0.26 0.71 0.02 0.00 0.00 176.95 177.29 1qac s TYR 36 N -0.37 2.25 -0.15 -1.98 1.51 0.20 -0.33 117.35 118.48 1qac s TYR 36 Ca 0.03 -0.39 0.02 0.00 -1.01 0.00 0.00 57.07 55.72 1qac s TYR 36 Cb -0.12 -1.24 0.01 0.00 -0.11 0.00 0.00 41.96 40.50 1qac s TYR 36 CO 0.02 0.29 -0.21 -1.14 -1.11 0.00 0.00 175.55 173.40 1qac s GLN 37 N -1.92 2.94 -0.43 -0.62 0.74 0.11 -0.74 119.66 119.74 1qac s GLN 37 Ca 0.13 -0.82 0.03 0.00 0.05 0.00 0.00 55.36 54.74 1qac s GLN 37 Cb -0.10 -2.41 0.12 0.00 1.10 0.00 0.00 33.01 31.71 1qac s GLN 37 CO 0.05 -0.06 0.17 -1.14 -0.55 0.00 0.00 175.29 173.76 1qac s GLN 38 N 0.93 1.79 0.69 1.67 0.74 0.04 -0.08 119.66 125.43 1qac s GLN 38 Ca -0.04 -2.17 -0.11 0.00 0.05 0.00 0.00 55.36 53.09 1qac s GLN 38 Cb -0.15 -3.33 0.00 0.00 1.10 0.00 0.00 33.01 30.63 1qac s GLN 38 CO -0.04 -1.03 1.06 0.15 -0.55 0.00 0.00 175.29 174.88 1qac s LYS 39 N 0.46 3.03 0.18 1.67 1.02 -1.26 -2.10 119.74 122.74 1qac s LYS 39 Ca 0.13 0.79 -0.33 0.00 0.02 0.00 0.00 55.97 56.58 1qac s LYS 39 Cb -0.22 -2.01 -0.14 0.00 -0.52 0.00 0.00 37.83 34.93 1qac s LYS 39 CO -0.05 -0.99 1.43 -2.30 -0.92 0.00 0.00 175.35 172.52 1qac n PRO 40 N -3.03 1.82 -1.10 -1.68 -0.02 -1.26 -1.56 135.00 128.17 1qac n PRO 40 Ca 0.07 0.65 -0.04 0.00 -2.02 0.00 0.00 63.50 62.17 1qac n PRO 40 Cb 0.54 -2.33 -0.02 0.00 -0.02 0.00 0.00 33.50 31.68 1qac n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qac n GLY 41 N 2.65 0.55 3.27 -1.23 0.00 -1.26 -5.00 105.19 104.17 1qac n GLY 41 Ca 0.15 -0.16 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 1qac n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qac s GLN 42 N -1.67 1.11 0.69 1.61 -0.21 -0.60 -5.15 119.66 115.45 1qac s GLN 42 Ca 0.00 -1.39 -0.11 0.00 0.02 0.00 0.00 55.36 53.88 1qac s GLN 42 Cb 0.00 -0.88 0.00 0.00 1.00 0.00 0.00 33.01 33.14 1qac s GLN 42 CO 0.00 0.15 1.06 -1.25 -2.12 0.00 0.00 175.29 173.13 1qac s PRO 43 N -3.24 2.99 0.34 2.91 0.04 -1.26 -4.47 135.00 132.31 1qac s PRO 43 Ca 0.15 0.76 -0.29 0.00 0.04 0.00 0.00 61.00 61.66 1qac s PRO 43 Cb -0.02 -2.01 -0.11 0.00 0.04 0.00 0.00 34.50 32.41 1qac s PRO 43 CO 0.03 -1.01 1.39 -1.25 0.04 0.00 0.00 177.00 176.20 1qac s PRO 44 N -5.16 4.26 -0.02 0.56 0.04 -1.26 -4.55 135.00 128.86 1qac s PRO 44 Ca 0.58 2.36 0.07 0.00 0.04 0.00 0.00 61.00 64.05 1qac s PRO 44 Cb -0.13 -3.03 -0.02 0.00 0.04 0.00 0.00 34.50 31.36 1qac s PRO 44 CO 0.54 -0.34 -0.24 0.15 0.04 0.00 0.00 177.00 177.15 1qac s LYS 45 N -1.79 2.02 -0.03 4.56 -0.14 0.88 -4.91 119.74 120.33 1qac s LYS 45 Ca 0.51 -0.86 -0.30 0.00 -1.36 0.00 0.00 55.97 53.96 1qac s LYS 45 Cb -0.42 -1.92 -0.06 0.00 -1.68 0.00 0.00 37.83 33.75 1qac s LYS 45 CO 0.56 0.50 1.53 -1.17 -0.76 0.00 0.00 175.35 176.01 1qac s LEU 46 N -0.52 4.31 -0.26 3.17 2.96 -1.26 -0.71 118.68 126.38 1qac s LEU 46 Ca 0.08 2.18 -0.15 0.00 -0.22 0.00 0.00 54.13 56.02 1qac s LEU 46 Cb -0.10 -3.55 -0.11 0.00 0.50 0.00 0.00 46.19 42.93 1qac s LEU 46 CO -0.00 -0.84 -0.35 0.18 -1.32 0.00 0.00 176.35 174.02 1qac n LEU 47 N 6.26 1.95 -3.90 -0.68 4.77 0.56 -4.69 117.00 121.27 1qac n LEU 47 Ca 0.15 0.34 -0.11 0.00 -0.03 0.00 0.00 56.01 56.36 1qac n LEU 47 Cb 0.43 -0.81 -0.12 0.00 -2.33 0.00 0.00 43.42 40.59 1qac n LEU 47 CO 0.61 0.41 -0.31 -0.63 -1.33 0.00 0.00 177.39 176.14 1qac s ILE 48 N -2.58 0.04 0.22 -0.08 1.01 -1.09 -0.85 121.20 117.87 1qac s ILE 48 Ca -0.37 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 59.93 1qac s ILE 48 Cb 0.13 -0.17 -0.05 0.00 0.01 0.00 0.00 42.46 42.38 1qac s ILE 48 CO 0.48 -0.20 0.07 -0.72 0.00 0.00 0.00 174.94 174.57 1qac s TYR 49 N -0.59 1.36 -1.51 3.97 1.13 -0.13 0.07 117.35 121.65 1qac s TYR 49 Ca -0.07 -1.16 -0.01 0.00 -1.41 0.00 0.00 57.07 54.43 1qac s TYR 49 Cb -0.04 -0.78 0.00 0.00 -1.10 0.00 0.00 41.96 40.05 1qac s TYR 49 CO -0.00 -0.35 0.06 0.91 -2.51 0.00 0.00 175.55 173.66 1qac n TRP 50 N -0.36 -1.23 0.00 -3.49 5.03 -0.66 -0.78 117.44 115.95 1qac n TRP 50 Ca -0.02 0.05 0.00 0.00 3.03 0.00 0.00 57.50 60.56 1qac n TRP 50 Cb 0.65 -3.58 0.00 0.00 -1.03 0.00 0.00 31.31 27.35 1qac n TRP 50 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1qac n ALA 51 N -2.24 0.00 -0.97 6.99 0.00 0.22 -4.27 120.51 120.24 1qac n ALA 51 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1qac n ALA 51 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 1qac n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1qac n SER 52 N 0.97 0.04 -4.62 0.00 3.41 -1.11 -3.55 113.62 108.75 1qac n SER 52 Ca 0.00 -1.01 -0.41 0.00 -0.26 0.00 0.00 58.87 57.19 1qac n SER 52 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 1qac n SER 52 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1qac s THR 53 N -0.01 4.89 0.24 6.66 2.01 0.04 -4.62 115.64 124.85 1qac s THR 53 Ca 0.00 1.24 -0.30 0.00 0.31 0.00 0.00 61.69 62.94 1qac s THR 53 Cb 0.00 -4.05 -0.09 0.00 0.01 0.00 0.00 72.50 68.37 1qac s THR 53 CO 0.00 -0.09 1.10 -0.13 -0.69 0.00 0.00 174.62 174.80 1qac s ARG 54 N 2.73 4.63 0.35 4.92 0.52 -1.26 -0.95 118.95 129.88 1qac s ARG 54 Ca 0.30 1.76 -0.27 0.00 -0.52 0.00 0.00 55.73 57.00 1qac s ARG 54 Cb -0.15 -3.23 -0.09 0.00 0.52 0.00 0.00 34.95 32.00 1qac s ARG 54 CO 0.10 0.17 1.14 -2.00 0.02 0.00 0.00 175.30 174.72 1qac s GLU 55 N -1.02 4.33 0.31 3.54 2.56 -0.03 -4.93 118.70 123.46 1qac s GLU 55 Ca 0.46 1.82 -0.29 0.00 0.00 0.00 0.00 54.97 56.96 1qac s GLU 55 Cb -0.31 -2.90 -0.13 0.00 2.00 0.00 0.00 34.13 32.80 1qac s GLU 55 CO 0.38 -0.07 1.30 -1.13 -0.56 0.00 0.00 175.26 175.18 1qac n SER 56 N 0.57 2.66 0.00 -1.70 3.41 -1.26 -1.70 113.62 115.59 1qac n SER 56 Ca 0.02 1.19 0.00 0.00 -0.26 0.00 0.00 58.87 59.82 1qac n SER 56 Cb 0.46 -1.46 0.00 0.00 -0.26 0.00 0.00 64.21 62.95 1qac n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qac n GLY 57 N 1.13 3.22 3.70 5.00 0.00 -1.26 -5.05 105.19 111.94 1qac n GLY 57 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1qac n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qac s VAL 58 N -2.98 4.31 0.64 1.61 1.01 -0.69 -5.00 120.40 119.30 1qac s VAL 58 Ca 0.00 1.65 -0.18 0.00 0.00 0.00 0.00 61.98 63.45 1qac s VAL 58 Cb 0.00 -4.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 1qac s VAL 58 CO 0.00 0.09 1.24 -2.65 0.00 0.00 0.00 175.10 173.78 1qac n PRO 59 N 4.32 1.10 0.25 2.72 -0.02 -1.26 -4.89 135.00 137.22 1qac n PRO 59 Ca 0.09 0.43 0.17 0.00 -2.02 0.00 0.00 63.50 62.17 1qac n PRO 59 Cb 0.47 -2.47 0.80 0.00 -0.02 0.00 0.00 33.50 32.28 1qac n PRO 59 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1qac h ASP 60 N 0.55 0.00 0.43 2.55 3.04 -2.00 -2.33 116.42 118.66 1qac h ASP 60 Ca -0.51 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.28 1qac h ASP 60 Cb 1.34 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.63 1qac h ASP 60 CO 0.53 0.00 0.00 -2.11 -2.04 0.00 0.00 179.24 175.62 1qac n ARG 61 N -2.78 0.18 -3.35 4.15 1.85 -1.26 -4.40 116.66 111.05 1qac n ARG 61 Ca -0.01 0.52 -0.39 0.00 -1.00 0.00 0.00 57.85 56.98 1qac n ARG 61 Cb 0.17 -1.93 -0.07 0.00 -1.05 0.00 0.00 32.46 29.58 1qac n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1qac s PHE 62 N -3.44 3.36 -0.00 2.89 0.40 -0.88 -1.16 117.98 119.15 1qac s PHE 62 Ca 0.01 0.63 0.01 0.00 -0.60 0.00 0.00 56.93 56.99 1qac s PHE 62 Cb 0.08 -2.57 -0.00 0.00 0.51 0.00 0.00 43.02 41.04 1qac s PHE 62 CO 0.32 -0.06 -0.03 0.45 0.70 0.00 0.00 175.22 176.60 1qac s SER 63 N 1.13 0.34 -0.01 1.36 0.15 0.22 -4.96 113.70 111.94 1qac s SER 63 Ca 0.20 -0.05 0.04 0.00 0.70 0.00 0.00 55.95 56.84 1qac s SER 63 Cb -0.15 -0.04 -0.03 0.00 -1.71 0.00 0.00 66.02 64.08 1qac s SER 63 CO 0.09 0.03 -0.11 -0.83 1.20 0.00 0.00 173.24 173.61 1qac s GLY 64 N -0.03 1.65 0.17 9.45 0.00 -1.26 -0.57 107.32 116.73 1qac s GLY 64 Ca 0.01 -1.03 -0.05 0.00 0.00 0.00 0.00 44.72 43.64 1qac s GLY 64 CO -0.00 -0.87 0.21 -1.35 0.00 0.00 0.00 173.10 171.09 1qac s SER 65 N -1.16 0.13 0.00 1.64 1.04 -0.33 -4.39 113.70 110.63 1qac s SER 65 Ca 0.14 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.49 1qac s SER 65 Cb -0.11 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.41 1qac s SER 65 CO 0.04 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.01 1qac n GLY 66 N -0.21 2.52 3.52 7.32 0.00 -1.26 -0.51 105.19 116.57 1qac n GLY 66 Ca -0.04 -2.08 -0.13 0.00 0.00 0.00 0.00 46.02 43.78 1qac n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qac s SER 67 N 0.00 -0.49 0.08 1.61 0.15 -0.91 -4.93 113.70 109.22 1qac s SER 67 Ca 0.00 0.36 0.00 0.00 0.70 0.00 0.00 55.95 57.01 1qac s SER 67 Cb 0.00 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 1qac s SER 67 CO 0.00 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 174.47 1qac n GLY 68 N 0.41 1.63 0.00 9.45 0.00 -1.26 -2.99 105.19 112.44 1qac n GLY 68 Ca -0.14 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1qac n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qac n THR 69 N 0.00 0.00 -4.05 2.61 -2.24 -1.26 -1.25 114.28 108.09 1qac n THR 69 Ca 0.00 -0.29 -0.32 0.00 -2.27 0.00 0.00 64.05 61.17 1qac n THR 69 Cb 0.00 1.29 -0.15 0.00 -2.10 0.00 0.00 70.33 69.36 1qac n THR 69 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1qac s ASP 70 N -0.18 3.91 0.16 3.42 -1.08 -1.16 -1.55 116.67 120.19 1qac s ASP 70 Ca 0.00 -1.12 0.09 0.00 -0.52 0.00 0.00 52.55 51.00 1qac s ASP 70 Cb 0.00 -1.44 -0.04 0.00 -1.46 0.00 0.00 42.92 39.98 1qac s ASP 70 CO 0.00 -0.15 -0.20 -0.36 0.52 0.00 0.00 175.17 174.98 1qac s PHE 71 N 1.23 1.93 -0.01 -5.34 0.40 -0.37 -2.13 117.98 113.68 1qac s PHE 71 Ca -0.04 -0.44 0.01 0.00 -0.60 0.00 0.00 56.93 55.86 1qac s PHE 71 Cb -0.18 -0.97 0.00 0.00 0.51 0.00 0.00 43.02 42.39 1qac s PHE 71 CO -0.07 0.35 -0.02 0.99 0.70 0.00 0.00 175.22 177.17 1qac s THR 72 N -1.84 0.20 -0.17 0.64 2.01 0.33 -1.80 115.64 115.01 1qac s THR 72 Ca 0.16 -0.07 -0.02 0.00 0.31 0.00 0.00 61.69 62.06 1qac s THR 72 Cb -0.07 -0.20 -0.01 0.00 0.01 0.00 0.00 72.50 72.23 1qac s THR 72 CO 0.07 0.08 -0.09 -0.22 -0.69 0.00 0.00 174.62 173.76 1qac s LEU 73 N 0.15 2.78 -0.08 4.42 2.96 0.21 -1.18 118.68 127.93 1qac s LEU 73 Ca -0.01 -0.37 0.04 0.00 -0.22 0.00 0.00 54.13 53.58 1qac s LEU 73 Cb -0.04 -1.66 -0.00 0.00 0.50 0.00 0.00 46.19 44.99 1qac s LEU 73 CO -0.00 0.08 -0.22 -0.89 -1.32 0.00 0.00 176.35 173.99 1qac s THR 74 N 0.89 1.90 -0.25 3.68 2.01 0.26 -0.85 115.64 123.27 1qac s THR 74 Ca -0.02 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.04 1qac s THR 74 Cb -0.15 -1.63 0.05 0.00 0.01 0.00 0.00 72.50 70.77 1qac s THR 74 CO 0.00 0.53 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.74 1qac s ILE 75 N 0.19 2.47 0.37 1.82 1.01 -0.55 -0.61 121.20 125.90 1qac s ILE 75 Ca -0.12 -1.36 -0.06 0.00 0.00 0.00 0.00 60.65 59.11 1qac s ILE 75 Cb -0.16 -2.35 -0.05 0.00 0.01 0.00 0.00 42.46 39.91 1qac s ILE 75 CO 0.06 0.08 0.66 -0.94 0.00 0.00 0.00 174.94 174.81 1qac s SER 76 N 1.21 6.42 -0.80 3.58 1.04 -0.31 -0.77 113.70 124.07 1qac s SER 76 Ca -0.04 0.85 -0.01 0.00 0.48 0.00 0.00 55.95 57.23 1qac s SER 76 Cb -0.18 -2.21 0.00 0.00 0.10 0.00 0.00 66.02 63.73 1qac s SER 76 CO -0.05 -0.34 0.63 -1.20 0.98 0.00 0.00 173.24 173.26 1qac n SER 77 N -1.38 -5.64 -4.73 7.02 7.64 -1.21 -4.81 113.62 110.52 1qac n SER 77 Ca -0.00 -0.72 -0.42 0.00 1.01 0.00 0.00 58.87 58.74 1qac n SER 77 Cb 0.54 -2.63 -0.01 0.00 -1.01 0.00 0.00 64.21 61.10 1qac n SER 77 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1qac n LEU 78 N -2.36 4.17 -4.56 -3.43 7.94 -0.28 -4.57 117.00 113.91 1qac n LEU 78 Ca -0.23 1.17 -0.24 0.00 -1.11 0.00 0.00 56.01 55.60 1qac n LEU 78 Cb 0.64 -1.56 -0.09 0.00 0.53 0.00 0.00 43.42 42.94 1qac n LEU 78 CO 0.61 -0.01 -0.40 -1.10 -1.11 0.00 0.00 177.39 175.38 1qac s GLN 79 N -0.94 1.99 0.27 1.96 -0.21 -1.26 -0.20 119.66 121.26 1qac s GLN 79 Ca 0.62 -1.60 -0.02 0.00 0.02 0.00 0.00 55.36 54.38 1qac s GLN 79 Cb -0.52 -1.96 0.44 0.00 1.00 0.00 0.00 33.01 31.96 1qac s GLN 79 CO 0.53 0.34 1.87 0.00 -2.12 0.00 0.00 175.29 175.91 1qac h ALA 80 N 2.07 1.41 0.00 6.09 0.00 -2.00 -1.16 119.26 125.67 1qac h ALA 80 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1qac h ALA 80 Cb 1.25 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1qac h ALA 80 CO 0.61 0.38 0.00 -0.85 0.00 0.00 0.00 179.25 179.39 1qac n GLU 81 N -4.54 0.14 0.00 0.00 0.28 -1.26 -2.45 120.64 112.82 1qac n GLU 81 Ca 0.16 0.49 0.16 0.00 -0.16 0.00 0.00 57.16 57.81 1qac n GLU 81 Cb 0.23 -1.83 0.86 0.00 1.43 0.00 0.00 31.44 32.12 1qac n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1qac n ASP 82 N -2.11 0.11 -4.67 -1.84 8.00 -0.44 -4.82 116.55 110.79 1qac n ASP 82 Ca 0.01 -0.79 -0.42 0.00 0.71 0.00 0.00 54.79 54.29 1qac n ASP 82 Cb 0.13 -0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.13 1qac n ASP 82 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1qac s VAL 83 N -2.17 3.20 -0.06 2.53 1.01 -1.02 -4.88 120.40 119.01 1qac s VAL 83 Ca 0.42 0.46 -0.20 0.00 0.00 0.00 0.00 61.98 62.65 1qac s VAL 83 Cb 0.21 -3.30 0.07 0.00 0.00 0.00 0.00 36.38 33.36 1qac s VAL 83 CO 0.40 -0.02 0.91 0.00 0.00 0.00 0.00 175.10 176.38 1qac n ALA 84 N 6.47 -2.62 -2.96 5.51 0.00 -1.13 -4.56 120.51 121.23 1qac n ALA 84 Ca 0.17 -0.48 -0.34 0.00 0.00 0.00 0.00 53.44 52.79 1qac n ALA 84 Cb 0.41 -0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.74 1qac n ALA 84 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1qac s VAL 85 N -2.00 4.15 -0.09 0.00 1.01 -0.89 -0.74 120.40 121.83 1qac s VAL 85 Ca 0.22 -0.26 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 1qac s VAL 85 Cb -0.00 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 1qac s VAL 85 CO -0.02 0.46 -0.00 -0.31 0.00 0.00 0.00 175.10 175.23 1qac s TYR 86 N 0.56 3.14 0.02 5.22 1.51 -0.24 -0.78 117.35 126.78 1qac s TYR 86 Ca -0.01 0.14 0.05 0.00 -1.01 0.00 0.00 57.07 56.24 1qac s TYR 86 Cb -0.14 -1.81 -0.02 0.00 -0.11 0.00 0.00 41.96 39.89 1qac s TYR 86 CO 0.02 0.41 -0.14 0.71 -1.11 0.00 0.00 175.55 175.44 1qac s TYR 87 N -0.74 1.23 0.08 2.71 1.51 0.08 -0.96 117.35 121.26 1qac s TYR 87 Ca 0.12 -0.30 0.01 0.00 -1.01 0.00 0.00 57.07 55.89 1qac s TYR 87 Cb -0.12 -0.75 -0.04 0.00 -0.11 0.00 0.00 41.96 40.94 1qac s TYR 87 CO 0.02 0.01 0.21 0.00 -1.11 0.00 0.00 175.55 174.69 1qac s LEU 89 N -2.68 1.98 -0.16 0.00 2.96 0.50 -0.81 118.68 120.47 1qac s LEU 89 Ca 0.34 -0.09 -0.02 0.00 -0.22 0.00 0.00 54.13 54.14 1qac s LEU 89 Cb -0.12 -0.25 -0.02 0.00 0.50 0.00 0.00 46.19 46.29 1qac s LEU 89 CO 0.27 0.05 -0.08 0.00 -1.32 0.00 0.00 176.35 175.28 1qac s GLN 90 N -0.07 3.50 -0.20 1.98 1.03 -0.74 -0.91 119.66 124.24 1qac s GLN 90 Ca 0.01 -0.61 0.14 0.00 0.04 0.00 0.00 55.36 54.95 1qac s GLN 90 Cb -0.02 -2.82 0.45 0.00 0.03 0.00 0.00 33.01 30.65 1qac s GLN 90 CO -0.00 0.14 1.19 2.48 -2.54 0.00 0.00 175.29 176.56 1qac n TYR 91 N 3.78 1.04 -0.07 9.60 0.18 -0.75 -2.88 117.16 128.07 1qac n TYR 91 Ca -0.18 -1.64 -0.14 0.00 1.88 0.00 0.00 57.90 57.83 1qac n TYR 91 Cb 0.52 -0.26 -0.13 0.00 -0.38 0.00 0.00 39.34 39.10 1qac n TYR 91 CO 0.00 0.00 0.00 -0.92 -2.08 0.00 0.00 176.86 173.86 1qac h TYR 92 N 1.61 -0.00 -3.55 -3.48 3.20 -1.92 -3.47 116.97 109.35 1qac h TYR 92 Ca 0.05 -0.00 -0.23 0.00 3.14 0.00 0.00 58.73 61.69 1qac h TYR 92 Cb 1.37 0.00 -0.29 0.00 1.54 0.00 0.00 36.73 39.35 1qac h TYR 92 CO 0.64 0.96 -0.66 -1.54 -1.64 0.00 0.00 178.16 175.93 1qac s SER 93 N -6.19 -0.05 0.42 -2.11 1.04 -1.26 -5.09 113.70 100.47 1qac s SER 93 Ca -0.19 0.12 -0.24 0.00 0.48 0.00 0.00 55.95 56.13 1qac s SER 93 Cb -0.03 0.10 -0.08 0.00 0.10 0.00 0.00 66.02 66.11 1qac s SER 93 CO 0.68 -0.05 1.10 0.42 0.98 0.00 0.00 173.24 176.38 1qac s THR 94 N 0.27 3.43 0.17 2.02 -4.23 -1.26 -3.72 115.64 112.32 1qac s THR 94 Ca -0.02 1.10 -0.30 0.00 -1.18 0.00 0.00 61.69 61.29 1qac s THR 94 Cb -0.03 -3.56 -0.08 0.00 1.34 0.00 0.00 72.50 70.17 1qac s THR 94 CO -0.01 0.00 1.16 -2.16 -0.54 0.00 0.00 174.62 173.08 1qac s PRO 95 N -2.56 4.52 0.53 3.99 0.04 -1.26 -4.88 135.00 135.38 1qac s PRO 95 Ca 0.60 1.81 -0.20 0.00 0.04 0.00 0.00 61.00 63.25 1qac s PRO 95 Cb -0.25 -3.26 -0.06 0.00 0.04 0.00 0.00 34.50 30.97 1qac s PRO 95 CO 0.31 -0.04 1.18 0.71 0.04 0.00 0.00 177.00 179.20 1qac s TYR 96 N -0.05 2.62 -0.00 0.56 2.02 -1.24 -4.71 117.35 116.55 1qac s TYR 96 Ca 0.52 1.52 -0.04 0.00 -0.37 0.00 0.00 57.07 58.70 1qac s TYR 96 Cb -0.31 -3.41 -0.00 0.00 -0.40 0.00 0.00 41.96 37.84 1qac s TYR 96 CO 0.36 -1.84 0.08 -1.54 -1.57 0.00 0.00 175.55 171.03 1qac s SER 97 N -1.54 0.05 0.38 2.29 1.04 -1.14 -5.00 113.70 109.77 1qac s SER 97 Ca 0.71 -0.16 0.07 0.00 0.48 0.00 0.00 55.95 57.06 1qac s SER 97 Cb -0.28 0.17 -0.01 0.00 0.10 0.00 0.00 66.02 66.00 1qac s SER 97 CO 0.32 -0.24 0.46 -0.36 0.98 0.00 0.00 173.24 174.40 1qac s PHE 98 N -0.95 2.92 0.82 5.02 0.40 -1.26 -1.79 117.98 123.13 1qac s PHE 98 Ca -0.10 -0.34 -0.10 0.00 -0.60 0.00 0.00 56.93 55.79 1qac s PHE 98 Cb -0.06 -2.13 0.12 0.00 0.51 0.00 0.00 43.02 41.47 1qac s PHE 98 CO 0.00 -0.14 1.15 0.20 0.70 0.00 0.00 175.22 177.14 1qac s GLY 99 N -4.20 1.71 0.00 4.36 0.00 0.01 -4.44 107.32 104.76 1qac s GLY 99 Ca 0.48 -1.08 0.29 0.00 0.00 0.00 0.00 44.72 44.42 1qac s GLY 99 CO 0.31 -0.51 2.06 0.61 0.00 0.00 0.00 173.10 175.57 1qac n GLN 100 N -3.29 0.75 0.00 2.90 0.00 -1.26 -4.74 117.38 111.74 1qac n GLN 100 Ca 0.11 0.01 0.00 0.00 0.00 0.00 0.00 57.00 57.12 1qac n GLN 100 Cb 0.60 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.34 1qac n GLN 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1qac n GLY 101 N 0.94 -0.67 2.97 2.61 0.00 -1.26 -5.01 105.19 104.77 1qac n GLY 101 Ca 0.19 -1.53 -0.29 0.00 0.00 0.00 0.00 46.02 44.39 1qac n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qac s THR 102 N -3.11 1.43 -0.33 2.61 2.01 -0.13 -4.62 115.64 113.49 1qac s THR 102 Ca 0.00 -0.69 -0.25 0.00 0.31 0.00 0.00 61.69 61.06 1qac s THR 102 Cb 0.00 -1.45 0.01 0.00 0.01 0.00 0.00 72.50 71.07 1qac s THR 102 CO 0.00 0.30 0.87 -0.54 -0.69 0.00 0.00 174.62 174.57 1qac s LYS 103 N 1.52 3.92 -0.23 4.92 1.02 0.07 -1.08 119.74 129.89 1qac s LYS 103 Ca 0.02 0.64 -0.09 0.00 0.02 0.00 0.00 55.97 56.56 1qac s LYS 103 Cb -0.14 -3.76 -0.05 0.00 -0.52 0.00 0.00 37.83 33.36 1qac s LYS 103 CO -0.09 -0.81 0.13 -1.17 -0.92 0.00 0.00 175.35 172.49 1qac s LEU 104 N 3.23 3.98 0.15 3.17 2.96 0.08 -0.58 118.68 131.67 1qac s LEU 104 Ca 0.36 0.08 0.05 0.00 -0.22 0.00 0.00 54.13 54.39 1qac s LEU 104 Cb -0.13 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.46 1qac s LEU 104 CO 0.15 0.09 -0.10 -1.83 -1.32 0.00 0.00 176.35 173.33 1qac s GLU 105 N 0.92 1.07 0.11 1.98 -1.05 -0.27 -2.83 118.70 118.63 1qac s GLU 105 Ca 0.06 -1.45 -0.30 0.00 -0.15 0.00 0.00 54.97 53.13 1qac s GLU 105 Cb -0.13 -0.65 -0.06 0.00 -0.44 0.00 0.00 34.13 32.85 1qac s GLU 105 CO 0.03 0.08 1.01 0.42 0.95 0.00 0.00 175.26 177.75 1qac s ILE 106 N -3.28 4.37 0.22 1.83 -1.09 -1.26 -1.89 121.20 120.11 1qac s ILE 106 Ca 0.17 1.94 -0.30 0.00 -2.23 0.00 0.00 60.65 60.22 1qac s ILE 106 Cb 0.02 -4.24 -0.10 0.00 -1.58 0.00 0.00 42.46 36.57 1qac s ILE 106 CO 0.01 0.28 1.41 -0.75 -1.23 0.00 0.00 174.94 174.66 1qac s LYS 107 N 0.08 4.30 0.00 2.79 2.20 -0.51 -4.76 119.74 123.84 1qac s LYS 107 Ca 0.49 2.22 0.08 0.00 -0.36 0.00 0.00 55.97 58.39 1qac s LYS 107 Cb -0.25 -3.14 0.45 0.00 -1.51 0.00 0.00 37.83 33.38 1qac s LYS 107 CO 0.31 -0.38 0.91 2.89 -0.36 0.00 0.00 175.35 178.71