#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qhy s GLN 2 N 0.00 4.19 -0.19 0.54 0.74 -1.26 -5.09 119.66 118.59 2qhy s GLN 2 Ca 0.00 -0.14 0.01 0.00 0.05 0.00 0.00 55.36 55.28 2qhy s GLN 2 Cb 0.00 -3.44 0.02 0.00 1.10 0.00 0.00 33.01 30.69 2qhy s GLN 2 CO 0.00 0.23 -0.19 0.42 -0.55 0.00 0.00 175.29 175.20 2qhy s ILE 3 N 0.53 2.08 0.80 -2.34 1.01 -1.26 -5.12 121.20 116.90 2qhy s ILE 3 Ca 0.10 -1.01 -0.10 0.00 0.00 0.00 0.00 60.65 59.64 2qhy s ILE 3 Cb -0.12 -1.91 0.11 0.00 0.01 0.00 0.00 42.46 40.55 2qhy s ILE 3 CO 0.01 0.48 1.13 0.42 0.00 0.00 0.00 174.94 176.98 2qhy s THR 4 N 1.27 2.12 -0.09 2.92 -4.23 -1.26 -5.03 115.64 111.34 2qhy s THR 4 Ca 0.04 -0.17 0.13 0.00 -1.18 0.00 0.00 61.69 60.50 2qhy s THR 4 Cb -0.14 -2.95 0.20 0.00 1.34 0.00 0.00 72.50 70.96 2qhy s THR 4 CO -0.12 0.00 1.09 0.18 -0.54 0.00 0.00 174.62 175.23 2qhy n LEU 5 N -3.23 1.97 0.22 4.79 4.77 -1.26 -4.56 117.00 119.71 2qhy n LEU 5 Ca 0.11 -2.59 0.07 0.00 -0.03 0.00 0.00 56.01 53.56 2qhy n LEU 5 Cb 0.60 -0.30 0.53 0.00 -2.33 0.00 0.00 43.42 41.92 2qhy n LEU 5 CO 0.50 0.61 0.87 -0.50 -1.33 0.00 0.00 177.39 177.53 2qhy h TRP 6 N 0.00 0.00 -2.36 -1.77 4.06 -2.07 -3.43 115.95 110.39 2qhy h TRP 6 Ca 0.00 0.00 -0.58 0.00 2.06 0.00 0.00 58.89 60.37 2qhy h TRP 6 Cb 0.96 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 28.98 2qhy h TRP 6 CO 0.01 0.22 -0.75 0.15 -3.56 0.00 0.00 178.44 174.51 2qhy s LYS 7 N -4.31 1.60 0.18 0.49 1.02 -1.26 -5.10 119.74 112.35 2qhy s LYS 7 Ca -0.03 -1.73 -0.33 0.00 0.02 0.00 0.00 55.97 53.90 2qhy s LYS 7 Cb 0.14 -1.63 -0.14 0.00 -0.52 0.00 0.00 37.83 35.68 2qhy s LYS 7 CO 0.67 0.30 1.58 0.54 -0.92 0.00 0.00 175.35 177.51 2qhy n ARG 8 N -0.56 2.22 -1.77 1.68 1.74 -1.26 -4.85 116.66 113.85 2qhy n ARG 8 Ca -0.06 0.80 -0.41 0.00 -0.77 0.00 0.00 57.85 57.42 2qhy n ARG 8 Cb 0.60 -2.57 -0.03 0.00 -1.02 0.00 0.00 32.46 29.45 2qhy n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2qhy n PRO 9 N 3.31 2.34 -3.25 5.56 -0.04 -1.26 -4.92 135.00 136.73 2qhy n PRO 9 Ca 0.16 -2.49 -0.39 0.00 -0.04 0.00 0.00 63.50 60.75 2qhy n PRO 9 Cb 0.30 -3.28 -0.06 0.00 -0.04 0.00 0.00 33.50 30.42 2qhy n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2qhy s LEU 10 N 3.56 4.43 0.14 1.53 1.43 -1.26 -1.11 118.68 127.40 2qhy s LEU 10 Ca 0.55 1.14 0.02 0.00 -1.03 0.00 0.00 54.13 54.80 2qhy s LEU 10 Cb 0.10 -2.87 -0.04 0.00 0.03 0.00 0.00 46.19 43.41 2qhy s LEU 10 CO 0.04 0.15 -0.04 0.68 0.23 0.00 0.00 176.35 177.41 2qhy s VAL 11 N -0.40 0.72 0.06 -1.59 -7.23 -0.00 -4.95 120.40 107.01 2qhy s VAL 11 Ca 0.30 -1.97 -0.22 0.00 -1.81 0.00 0.00 61.98 58.27 2qhy s VAL 11 Cb -0.18 -1.90 -0.06 0.00 0.56 0.00 0.00 36.38 34.80 2qhy s VAL 11 CO 0.17 -0.68 0.67 -0.89 -0.31 0.00 0.00 175.10 174.06 2qhy s THR 12 N -3.62 4.72 0.23 5.32 2.01 -1.26 -0.64 115.64 122.40 2qhy s THR 12 Ca 0.18 1.44 0.11 0.00 0.31 0.00 0.00 61.69 63.73 2qhy s THR 12 Cb 0.05 -4.02 -0.05 0.00 0.01 0.00 0.00 72.50 68.50 2qhy s THR 12 CO -0.00 0.45 -0.20 0.27 -0.69 0.00 0.00 174.62 174.44 2qhy s ILE 13 N -0.52 2.29 -0.12 1.82 -4.36 0.79 -2.02 121.20 119.08 2qhy s ILE 13 Ca 0.34 -2.23 0.02 0.00 -0.26 0.00 0.00 60.65 58.52 2qhy s ILE 13 Cb -0.20 -2.17 0.01 0.00 1.25 0.00 0.00 42.46 41.35 2qhy s ILE 13 CO 0.21 -0.33 -0.20 -0.60 0.24 0.00 0.00 174.94 174.26 2qhy s ARG 14 N -3.21 2.70 -0.13 0.37 3.52 -0.32 -1.22 118.95 120.68 2qhy s ARG 14 Ca 0.25 -0.74 -0.10 0.00 -0.13 0.00 0.00 55.73 55.01 2qhy s ARG 14 Cb -0.05 -2.20 0.04 0.00 -1.56 0.00 0.00 34.95 31.18 2qhy s ARG 14 CO 0.12 -0.01 0.32 -1.50 -0.81 0.00 0.00 175.30 173.42 2qhy s ILE 15 N 0.82 -0.01 -1.00 4.11 2.07 -0.15 -1.49 121.20 125.54 2qhy s ILE 15 Ca -0.08 0.05 0.00 0.00 -1.41 0.00 0.00 60.65 59.20 2qhy s ILE 15 Cb -0.16 -0.47 0.00 0.00 0.13 0.00 0.00 42.46 41.96 2qhy s ILE 15 CO -0.00 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.65 2qhy n GLY 16 N 3.41 -0.43 2.71 1.50 0.00 -1.26 -0.43 105.19 110.68 2qhy n GLY 16 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2qhy n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qhy n GLY 17 N -0.76 1.44 3.77 -0.02 0.00 -1.26 -5.04 105.19 103.31 2qhy n GLY 17 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 2qhy n GLY 17 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2qhy s GLN 18 N -0.10 3.04 -0.02 1.61 0.74 0.42 -5.09 119.66 120.26 2qhy s GLN 18 Ca 0.00 -0.48 -0.18 0.00 0.05 0.00 0.00 55.36 54.74 2qhy s GLN 18 Cb 0.00 -2.84 -0.05 0.00 1.10 0.00 0.00 33.01 31.21 2qhy s GLN 18 CO 0.00 0.65 0.52 -0.51 -0.55 0.00 0.00 175.29 175.40 2qhy s LEU 19 N -1.63 4.41 0.08 3.68 1.43 -1.26 -0.98 118.68 124.42 2qhy s LEU 19 Ca 0.21 1.05 -0.03 0.00 -1.03 0.00 0.00 54.13 54.34 2qhy s LEU 19 Cb -0.12 -2.79 -0.03 0.00 0.03 0.00 0.00 46.19 43.28 2qhy s LEU 19 CO 0.12 0.16 0.04 -0.54 0.23 0.00 0.00 176.35 176.36 2qhy s LYS 20 N -0.34 0.75 -0.16 1.70 1.02 -0.35 -4.98 119.74 117.37 2qhy s LYS 20 Ca 0.28 -1.23 -0.09 0.00 0.02 0.00 0.00 55.97 54.95 2qhy s LYS 20 Cb -0.17 0.25 -0.05 0.00 -0.52 0.00 0.00 37.83 37.34 2qhy s LYS 20 CO 0.15 -0.18 0.14 -2.00 -0.92 0.00 0.00 175.35 172.54 2qhy s GLU 21 N -3.94 3.86 0.02 1.68 2.12 -1.26 -0.14 118.70 121.03 2qhy s GLU 21 Ca 0.11 -0.16 -0.03 0.00 0.36 0.00 0.00 54.97 55.25 2qhy s GLU 21 Cb 0.07 -3.32 -0.01 0.00 0.26 0.00 0.00 34.13 31.13 2qhy s GLU 21 CO -0.07 0.52 0.05 0.00 -0.54 0.00 0.00 175.26 175.21 2qhy s ALA 22 N -0.27 -0.03 -0.20 6.30 0.00 0.19 -4.61 121.76 123.14 2qhy s ALA 22 Ca 0.12 -0.49 -0.16 0.00 0.00 0.00 0.00 51.96 51.43 2qhy s ALA 22 Cb -0.12 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 2qhy s ALA 22 CO 0.01 -0.22 0.41 -1.17 0.00 0.00 0.00 175.76 174.79 2qhy s LEU 23 N -1.68 4.15 -0.25 0.00 2.96 0.46 -0.82 118.68 123.50 2qhy s LEU 23 Ca -0.12 0.52 -0.29 0.00 -0.22 0.00 0.00 54.13 54.02 2qhy s LEU 23 Cb -0.06 -2.53 -0.01 0.00 0.50 0.00 0.00 46.19 44.09 2qhy s LEU 23 CO -0.02 -0.09 1.37 -0.76 -1.32 0.00 0.00 176.35 175.54 2qhy s LEU 24 N 1.38 3.96 -0.41 -0.68 1.43 -0.26 -0.38 118.68 123.70 2qhy s LEU 24 Ca 0.19 1.43 0.02 0.00 -1.03 0.00 0.00 54.13 54.73 2qhy s LEU 24 Cb -0.15 -3.54 0.13 0.00 0.03 0.00 0.00 46.19 42.66 2qhy s LEU 24 CO 0.08 -1.05 0.21 -0.62 0.23 0.00 0.00 176.35 175.20 2qhy s ASP 25 N 2.96 3.74 0.55 2.29 -1.08 -0.44 -4.78 116.67 119.90 2qhy s ASP 25 Ca 0.60 -2.44 0.36 0.00 -0.52 0.00 0.00 52.55 50.55 2qhy s ASP 25 Cb -0.20 -1.01 1.66 0.00 -1.46 0.00 0.00 42.92 41.90 2qhy s ASP 25 CO 0.23 -0.30 2.06 0.71 0.52 0.00 0.00 175.17 178.40 2qhy h THR 26 N 5.50 0.00 -0.14 1.71 1.35 -1.93 -1.90 112.91 117.49 2qhy h THR 26 Ca -0.03 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 2qhy h THR 26 Cb 0.95 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 2qhy h THR 26 CO 0.48 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.36 2qhy n GLY 27 N -0.39 -0.13 3.43 5.82 0.00 -1.26 -4.79 105.19 107.87 2qhy n GLY 27 Ca -0.01 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 2qhy n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qhy s ALA 28 N -1.82 2.95 0.22 4.61 0.00 -0.71 -4.99 121.76 122.02 2qhy s ALA 28 Ca 0.25 -0.96 -0.08 0.00 0.00 0.00 0.00 51.96 51.18 2qhy s ALA 28 Cb 0.13 -1.65 0.19 0.00 0.00 0.00 0.00 23.12 21.79 2qhy s ALA 28 CO 0.20 -0.05 1.85 -0.44 0.00 0.00 0.00 175.76 177.31 2qhy h ASP 29 N 7.29 1.07 -2.63 0.00 3.32 -1.86 0.26 116.42 123.87 2qhy h ASP 29 Ca -0.34 -0.10 -0.54 0.00 0.02 0.00 0.00 57.03 56.07 2qhy h ASP 29 Cb 1.18 -0.27 -0.14 0.00 0.22 0.00 0.00 39.33 40.32 2qhy h ASP 29 CO 0.61 0.85 -0.73 -1.81 -1.72 0.00 0.00 179.24 176.44 2qhy s ASP 30 N -6.17 3.14 -0.16 6.45 1.01 -1.26 -2.46 116.67 117.22 2qhy s ASP 30 Ca -0.13 -1.06 -0.21 0.00 0.71 0.00 0.00 52.55 51.87 2qhy s ASP 30 Cb 0.16 -0.23 -0.03 0.00 1.01 0.00 0.00 42.92 43.83 2qhy s ASP 30 CO 0.82 -0.10 0.62 -0.89 0.21 0.00 0.00 175.17 175.83 2qhy s THR 31 N -2.74 5.06 -0.10 -1.27 2.01 -1.26 -3.45 115.64 113.88 2qhy s THR 31 Ca 0.27 1.19 0.00 0.00 0.31 0.00 0.00 61.69 63.47 2qhy s THR 31 Cb -0.02 -3.94 0.02 0.00 0.01 0.00 0.00 72.50 68.57 2qhy s THR 31 CO 0.12 0.18 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.45 2qhy s VAL 32 N 1.46 1.07 0.00 3.82 1.01 -0.58 -0.91 120.40 126.27 2qhy s VAL 32 Ca 0.30 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 61.97 2qhy s VAL 32 Cb -0.16 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 2qhy s VAL 32 CO 0.12 0.37 -0.08 -0.76 0.00 0.00 0.00 175.10 174.74 2qhy s LEU 33 N 1.48 3.09 0.95 3.92 1.43 0.98 -0.53 118.68 129.99 2qhy s LEU 33 Ca 0.01 -0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 52.82 2qhy s LEU 33 Cb -0.13 -1.76 0.09 0.00 0.03 0.00 0.00 46.19 44.41 2qhy s LEU 33 CO -0.06 0.29 0.70 -0.62 0.23 0.00 0.00 176.35 176.89 2qhy n GLU 34 N 1.63 -0.43 -1.64 1.70 1.02 -1.26 -1.38 120.64 120.28 2qhy n GLU 34 Ca -0.16 -0.07 -0.58 0.00 -0.02 0.00 0.00 57.16 56.33 2qhy n GLU 34 Cb 0.52 -2.06 -0.07 0.00 -0.02 0.00 0.00 31.44 29.81 2qhy n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2qhy n GLU 35 N -2.78 0.76 -3.62 3.49 4.07 -1.24 -4.57 120.64 116.75 2qhy n GLU 35 Ca 0.09 0.28 -0.09 0.00 -0.06 0.00 0.00 57.16 57.38 2qhy n GLU 35 Cb 0.53 -1.89 -0.02 0.00 -0.06 0.00 0.00 31.44 30.01 2qhy n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2qhy s MET 36 N 1.79 1.39 -0.07 5.31 0.23 -1.26 -5.05 119.30 121.64 2qhy s MET 36 Ca 0.93 -0.65 -0.18 0.00 -1.03 0.00 0.00 55.69 54.76 2qhy s MET 36 Cb -1.13 0.55 -0.05 0.00 -1.53 0.00 0.00 34.83 32.67 2qhy s MET 36 CO 0.60 -0.62 0.49 -0.80 -2.03 0.00 0.00 175.02 172.66 2qhy s ASN 37 N -2.80 6.77 0.03 -1.18 0.02 -1.26 -5.04 114.94 111.48 2qhy s ASN 37 Ca 0.06 0.92 0.04 0.00 -1.02 0.00 0.00 52.86 52.86 2qhy s ASN 37 Cb -0.03 -2.30 -0.02 0.00 0.02 0.00 0.00 41.25 38.93 2qhy s ASN 37 CO -0.04 0.08 -0.11 -0.76 0.02 0.00 0.00 177.10 176.30 2qhy s LEU 38 N 0.12 2.16 0.57 0.60 1.43 -1.26 -5.02 118.68 117.28 2qhy s LEU 38 Ca 0.27 -0.41 -0.17 0.00 -1.03 0.00 0.00 54.13 52.80 2qhy s LEU 38 Cb -0.16 -0.44 -0.05 0.00 0.03 0.00 0.00 46.19 45.57 2qhy s LEU 38 CO 0.12 -0.01 1.05 -2.84 0.23 0.00 0.00 176.35 174.90 2qhy s PRO 39 N -1.03 3.45 0.25 1.29 0.02 -1.26 -4.95 135.00 132.78 2qhy s PRO 39 Ca -0.01 1.21 0.00 0.00 0.02 0.00 0.00 61.00 62.22 2qhy s PRO 39 Cb -0.07 -2.05 0.00 0.00 0.02 0.00 0.00 34.50 32.40 2qhy s PRO 39 CO 0.01 -0.70 0.00 0.41 -0.33 0.00 0.00 177.00 176.38 2qhy n GLY 40 N -0.91 -1.78 3.80 0.52 0.00 -1.26 -4.97 105.19 100.59 2qhy n GLY 40 Ca 0.09 -1.92 -0.35 0.00 0.00 0.00 0.00 46.02 43.84 2qhy n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qhy s LYS 41 N 0.00 4.08 0.10 1.61 0.00 -1.26 -5.08 119.74 119.19 2qhy s LYS 41 Ca 0.00 1.33 -0.04 0.00 0.00 0.00 0.00 55.97 57.26 2qhy s LYS 41 Cb 0.00 -2.29 -0.03 0.00 0.00 0.00 0.00 37.83 35.51 2qhy s LYS 41 CO 0.00 -0.19 0.10 1.67 0.00 0.00 0.00 175.35 176.93 2qhy s TRP 42 N -1.92 0.52 0.02 1.78 1.48 -1.26 -4.58 118.94 114.98 2qhy s TRP 42 Ca 0.62 -0.96 0.05 0.00 -1.06 0.00 0.00 56.10 54.76 2qhy s TRP 42 Cb -0.16 -0.28 -0.02 0.00 -1.16 0.00 0.00 33.47 31.85 2qhy s TRP 42 CO 0.20 -0.52 -0.16 0.15 -4.06 0.00 0.00 176.95 172.56 2qhy s LYS 43 N -3.95 1.19 0.32 3.25 -0.14 -0.84 -4.92 119.74 114.65 2qhy s LYS 43 Ca 0.14 -0.73 -0.29 0.00 -1.36 0.00 0.00 55.97 53.73 2qhy s LYS 43 Cb 0.06 -1.21 -0.10 0.00 -1.68 0.00 0.00 37.83 34.91 2qhy s LYS 43 CO -0.05 0.31 1.31 -2.14 -0.76 0.00 0.00 175.35 174.03 2qhy s PRO 44 N -0.84 4.35 0.18 -1.68 0.02 -1.26 -0.76 135.00 135.02 2qhy s PRO 44 Ca 0.05 2.21 -0.08 0.00 0.02 0.00 0.00 61.00 63.20 2qhy s PRO 44 Cb -0.07 -3.08 -0.01 0.00 0.02 0.00 0.00 34.50 31.35 2qhy s PRO 44 CO 0.01 -0.20 0.28 0.15 -0.33 0.00 0.00 177.00 176.91 2qhy s LYS 45 N -1.65 1.23 0.04 5.54 1.02 -0.69 -4.89 119.74 120.34 2qhy s LYS 45 Ca 0.50 -1.28 0.06 0.00 0.02 0.00 0.00 55.97 55.27 2qhy s LYS 45 Cb -0.40 0.37 -0.02 0.00 -0.52 0.00 0.00 37.83 37.26 2qhy s LYS 45 CO 0.52 -0.45 -0.17 -1.64 -0.92 0.00 0.00 175.35 172.69 2qhy s MET 46 N -4.01 1.10 0.06 1.68 -1.94 -1.26 -0.68 119.30 114.24 2qhy s MET 46 Ca 0.22 -0.83 0.01 0.00 -1.71 0.00 0.00 55.69 53.38 2qhy s MET 46 Cb 0.03 -1.15 -0.03 0.00 2.01 0.00 0.00 34.83 35.69 2qhy s MET 46 CO 0.04 0.29 -0.06 0.96 -0.01 0.00 0.00 175.02 176.23 2qhy s ILE 47 N -0.84 0.48 0.07 2.53 -4.36 -0.76 -4.97 121.20 113.36 2qhy s ILE 47 Ca 0.04 -1.41 0.05 0.00 -0.26 0.00 0.00 60.65 59.07 2qhy s ILE 47 Cb -0.08 -1.00 -0.04 0.00 1.25 0.00 0.00 42.46 42.59 2qhy s ILE 47 CO 0.02 -0.63 -0.05 -0.83 0.24 0.00 0.00 174.94 173.68 2qhy s GLY 48 N -2.18 1.83 0.00 6.27 0.00 -1.26 -1.10 107.32 110.88 2qhy s GLY 48 Ca -0.02 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 43.56 2qhy s GLY 48 CO -0.03 -1.09 0.00 0.61 0.00 0.00 0.00 173.10 172.59 2qhy n GLY 49 N 0.86 5.31 0.21 0.20 0.00 0.18 -5.00 105.19 106.96 2qhy n GLY 49 Ca -0.13 -1.56 0.06 0.00 0.00 0.00 0.00 46.02 44.39 2qhy n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2qhy h ILE 50 N 0.20 0.99 -0.03 -0.61 2.10 -2.02 -3.03 117.51 115.11 2qhy h ILE 50 Ca 0.00 -1.05 0.00 0.00 1.08 0.00 0.00 64.86 64.89 2qhy h ILE 50 Cb 0.00 1.60 0.00 0.00 -1.09 0.00 0.00 36.82 37.33 2qhy h ILE 50 CO 0.00 0.28 -0.01 0.61 -1.08 0.00 0.00 178.15 177.95 2qhy n GLY 51 N -0.46 0.68 0.00 8.18 0.00 -1.26 -5.08 105.19 107.25 2qhy n GLY 51 Ca -0.02 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.40 2qhy n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qhy n GLY 52 N 1.19 0.67 3.70 -0.02 0.00 -1.15 -5.10 105.19 104.48 2qhy n GLY 52 Ca 0.12 -2.01 -0.30 0.00 0.00 0.00 0.00 46.02 43.83 2qhy n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qhy s PHE 53 N -1.58 3.03 0.19 1.61 0.40 -1.26 -0.65 117.98 119.72 2qhy s PHE 53 Ca 0.00 -0.01 0.07 0.00 -0.60 0.00 0.00 56.93 56.39 2qhy s PHE 53 Cb 0.00 -1.55 -0.05 0.00 0.51 0.00 0.00 43.02 41.93 2qhy s PHE 53 CO 0.00 0.49 -0.12 0.96 0.70 0.00 0.00 175.22 177.25 2qhy s ILE 54 N -1.32 1.54 0.01 0.64 -4.36 -0.26 -4.99 121.20 112.47 2qhy s ILE 54 Ca 0.26 -2.16 -0.19 0.00 -0.26 0.00 0.00 60.65 58.31 2qhy s ILE 54 Cb -0.12 -2.03 -0.06 0.00 1.25 0.00 0.00 42.46 41.51 2qhy s ILE 54 CO 0.19 -0.61 0.53 -0.54 0.24 0.00 0.00 174.94 174.75 2qhy s LYS 55 N -3.69 4.19 0.16 0.37 1.02 -1.26 -1.82 119.74 118.71 2qhy s LYS 55 Ca 0.22 0.64 0.02 0.00 0.02 0.00 0.00 55.97 56.86 2qhy s LYS 55 Cb 0.01 -3.29 -0.05 0.00 -0.52 0.00 0.00 37.83 33.98 2qhy s LYS 55 CO 0.05 0.51 -0.02 0.14 -0.92 0.00 0.00 175.35 175.12 2qhy s VAL 56 N -0.63 0.75 -0.24 3.17 -7.23 0.14 -4.48 120.40 111.88 2qhy s VAL 56 Ca 0.28 -1.98 -0.10 0.00 -1.81 0.00 0.00 61.98 58.37 2qhy s VAL 56 Cb -0.18 -2.03 -0.05 0.00 0.56 0.00 0.00 36.38 34.68 2qhy s VAL 56 CO 0.16 -0.56 0.14 -0.13 -0.31 0.00 0.00 175.10 174.41 2qhy s ARG 57 N -3.88 4.01 -0.36 4.82 0.52 -0.05 -1.70 118.95 122.31 2qhy s ARG 57 Ca 0.21 -0.30 -0.17 0.00 -0.52 0.00 0.00 55.73 54.95 2qhy s ARG 57 Cb 0.06 -3.49 -0.00 0.00 0.52 0.00 0.00 34.95 32.03 2qhy s ARG 57 CO 0.02 0.04 0.46 -1.14 0.02 0.00 0.00 175.30 174.70 2qhy s GLN 58 N 1.09 3.52 -0.24 3.54 0.74 0.06 -1.00 119.66 127.39 2qhy s GLN 58 Ca 0.07 -0.33 -0.08 0.00 0.05 0.00 0.00 55.36 55.07 2qhy s GLN 58 Cb -0.14 -3.83 -0.04 0.00 1.10 0.00 0.00 33.01 30.11 2qhy s GLN 58 CO 0.05 -0.64 0.09 0.71 -0.55 0.00 0.00 175.29 174.94 2qhy s TYR 59 N 2.25 3.15 0.21 1.67 1.51 0.05 -1.98 117.35 124.21 2qhy s TYR 59 Ca 0.16 -0.19 -0.01 0.00 -1.01 0.00 0.00 57.07 56.01 2qhy s TYR 59 Cb -0.16 -2.22 -0.04 0.00 -0.11 0.00 0.00 41.96 39.43 2qhy s TYR 59 CO 0.13 -0.18 0.40 -0.51 -1.11 0.00 0.00 175.55 174.28 2qhy s ASP 60 N 1.30 6.39 -1.30 2.29 1.01 -1.26 -0.51 116.67 124.59 2qhy s ASP 60 Ca 0.05 0.42 -0.01 0.00 0.71 0.00 0.00 52.55 53.72 2qhy s ASP 60 Cb -0.15 -2.02 0.00 0.00 1.01 0.00 0.00 42.92 41.77 2qhy s ASP 60 CO 0.04 -0.05 0.78 1.67 0.21 0.00 0.00 175.17 177.82 2qhy n GLN 61 N -0.69 -5.34 -3.62 8.23 7.27 -1.17 -4.88 117.38 117.18 2qhy n GLN 61 Ca -0.05 0.67 -0.38 0.00 0.07 0.00 0.00 57.00 57.31 2qhy n GLN 61 Cb 0.54 -5.34 -0.11 0.00 2.41 0.00 0.00 30.24 27.73 2qhy n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2qhy s ILE 62 N -3.59 5.07 0.14 1.69 -1.09 0.17 -4.69 121.20 118.91 2qhy s ILE 62 Ca 0.05 0.04 -0.31 0.00 -2.23 0.00 0.00 60.65 58.20 2qhy s ILE 62 Cb -0.02 -3.43 -0.10 0.00 -1.58 0.00 0.00 42.46 37.33 2qhy s ILE 62 CO 0.80 0.24 1.61 -2.84 -1.23 0.00 0.00 174.94 173.51 2qhy s PRO 63 N 1.72 4.20 -0.02 2.79 0.02 -1.26 -1.81 135.00 140.64 2qhy s PRO 63 Ca 0.07 2.38 0.01 0.00 0.02 0.00 0.00 61.00 63.47 2qhy s PRO 63 Cb -0.16 -3.28 0.01 0.00 0.02 0.00 0.00 34.50 31.10 2qhy s PRO 63 CO 0.09 -0.65 -0.02 0.42 -0.33 0.00 0.00 177.00 176.51 2qhy s ILE 64 N 1.57 0.23 -0.31 2.83 1.01 0.43 -4.43 121.20 122.52 2qhy s ILE 64 Ca 0.72 -0.02 -0.14 0.00 0.00 0.00 0.00 60.65 61.21 2qhy s ILE 64 Cb -0.43 -0.26 -0.03 0.00 0.01 0.00 0.00 42.46 41.75 2qhy s ILE 64 CO 0.32 0.12 0.29 -0.70 0.00 0.00 0.00 174.94 174.97 2qhy s GLU 65 N 0.54 3.72 -0.34 2.79 2.12 -0.56 -0.86 118.70 126.12 2qhy s GLU 65 Ca -0.05 -0.37 -0.05 0.00 0.36 0.00 0.00 54.97 54.86 2qhy s GLU 65 Cb -0.08 -3.75 0.06 0.00 0.26 0.00 0.00 34.13 30.62 2qhy s GLU 65 CO -0.01 -0.38 0.10 0.42 -0.54 0.00 0.00 175.26 174.85 2qhy s ILE 66 N 1.89 3.49 -1.46 -3.70 1.01 0.82 -1.17 121.20 122.07 2qhy s ILE 66 Ca 0.10 -1.37 -0.09 0.00 0.00 0.00 0.00 60.65 59.29 2qhy s ILE 66 Cb -0.16 -3.06 0.06 0.00 0.01 0.00 0.00 42.46 39.31 2qhy s ILE 66 CO 0.11 -0.26 0.87 0.00 0.00 0.00 0.00 174.94 175.67 2qhy n GLY 68 N -1.67 0.86 3.49 0.00 0.00 -1.26 -5.01 105.19 101.59 2qhy n GLY 68 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 2qhy n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qhy s HIS 69 N -3.39 2.92 0.06 1.61 4.02 -0.50 -5.10 115.29 114.90 2qhy s HIS 69 Ca 0.00 -0.29 -0.26 0.00 1.02 0.00 0.00 55.06 55.53 2qhy s HIS 69 Cb 0.00 -1.83 -0.05 0.00 -1.02 0.00 0.00 32.58 29.67 2qhy s HIS 69 CO 0.00 0.04 0.82 -1.59 1.02 0.00 0.00 174.74 175.03 2qhy s LYS 70 N -0.06 4.54 0.08 1.40 0.00 -1.26 -0.13 119.74 124.31 2qhy s LYS 70 Ca -0.00 1.16 0.03 0.00 0.00 0.00 0.00 55.97 57.16 2qhy s LYS 70 Cb -0.13 -3.37 -0.03 0.00 0.00 0.00 0.00 37.83 34.29 2qhy s LYS 70 CO 0.03 0.25 -0.09 0.00 0.00 0.00 0.00 175.35 175.54 2qhy s ALA 71 N 0.01 0.94 -0.15 0.59 0.00 -0.04 -4.67 121.76 118.45 2qhy s ALA 71 Ca 0.41 -1.09 -0.04 0.00 0.00 0.00 0.00 51.96 51.24 2qhy s ALA 71 Cb -0.21 0.05 0.06 0.00 0.00 0.00 0.00 23.12 23.02 2qhy s ALA 71 CO 0.25 -0.06 0.11 0.42 0.00 0.00 0.00 175.76 176.48 2qhy s ILE 72 N -2.29 -0.13 0.00 0.00 1.01 -1.26 -0.43 121.20 118.10 2qhy s ILE 72 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.65 2qhy s ILE 72 Cb -0.04 -0.50 0.00 0.00 0.01 0.00 0.00 42.46 41.94 2qhy s ILE 72 CO -0.01 -0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.38 2qhy n GLY 73 N 5.29 1.42 3.72 6.18 0.00 -0.75 -4.74 105.19 116.32 2qhy n GLY 73 Ca -0.06 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 2qhy n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qhy s THR 74 N -2.38 4.26 -0.11 2.61 2.01 -1.26 -0.65 115.64 120.11 2qhy s THR 74 Ca 0.00 1.68 0.02 0.00 0.31 0.00 0.00 61.69 63.70 2qhy s THR 74 Cb 0.00 -4.07 0.01 0.00 0.01 0.00 0.00 72.50 68.45 2qhy s THR 74 CO 0.00 0.16 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.24 2qhy s VAL 75 N 0.79 1.57 -0.12 3.82 1.01 0.34 -4.43 120.40 123.38 2qhy s VAL 75 Ca 0.55 -0.69 -0.10 0.00 0.00 0.00 0.00 61.98 61.74 2qhy s VAL 75 Cb -0.27 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 2qhy s VAL 75 CO 0.30 0.45 0.20 -0.76 0.00 0.00 0.00 175.10 175.30 2qhy s LEU 76 N 0.95 4.35 -0.14 3.92 1.43 -0.09 -0.77 118.68 128.34 2qhy s LEU 76 Ca -0.07 0.51 0.02 0.00 -1.03 0.00 0.00 54.13 53.56 2qhy s LEU 76 Cb -0.15 -2.20 0.01 0.00 0.03 0.00 0.00 46.19 43.87 2qhy s LEU 76 CO -0.01 0.31 -0.21 -0.69 0.23 0.00 0.00 176.35 175.98 2qhy s VAL 77 N -0.56 2.19 -0.68 -1.59 1.01 -0.17 -0.01 120.40 120.58 2qhy s VAL 77 Ca 0.15 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.19 2qhy s VAL 77 Cb -0.13 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.37 2qhy s VAL 77 CO 0.04 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.30 2qhy n GLY 78 N 4.00 -1.27 2.47 4.51 0.00 -0.48 -0.87 105.19 113.56 2qhy n GLY 78 Ca -0.20 -0.87 -0.25 0.00 0.00 0.00 0.00 46.02 44.70 2qhy n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qhy n PRO 79 N -0.01 2.47 -2.87 1.61 -0.04 -1.26 -3.64 135.00 131.26 2qhy n PRO 79 Ca 0.00 -1.58 -0.36 0.00 -0.04 0.00 0.00 63.50 61.51 2qhy n PRO 79 Cb 0.00 -2.48 -0.06 0.00 -0.04 0.00 0.00 33.50 30.91 2qhy n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2qhy s THR 80 N 2.85 4.32 0.42 0.52 -1.32 -1.26 -4.97 115.64 116.20 2qhy s THR 80 Ca 0.49 1.65 0.31 0.00 -1.21 0.00 0.00 61.69 62.93 2qhy s THR 80 Cb 0.14 -3.94 0.33 0.00 -1.51 0.00 0.00 72.50 67.52 2qhy s THR 80 CO -0.04 0.12 2.11 1.55 -2.21 0.00 0.00 174.62 176.15 2qhy h PRO 81 N 3.12 0.00 -3.02 7.08 0.13 -1.98 -3.44 132.00 133.89 2qhy h PRO 81 Ca -0.47 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.55 2qhy h PRO 81 Cb 1.19 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.13 2qhy h PRO 81 CO 0.65 0.08 -0.23 0.54 -0.23 0.00 0.00 178.00 178.81 2qhy s VAL 82 N -4.14 0.06 0.11 1.56 0.11 -1.26 -5.08 120.40 111.76 2qhy s VAL 82 Ca -0.03 -0.49 -0.31 0.00 -2.93 0.00 0.00 61.98 58.23 2qhy s VAL 82 Cb 0.13 -0.73 -0.10 0.00 -1.53 0.00 0.00 36.38 34.15 2qhy s VAL 82 CO 0.55 -0.27 1.85 0.20 -3.33 0.00 0.00 175.10 174.10 2qhy s ASN 83 N -1.51 6.43 -0.04 3.54 0.01 -1.26 -4.71 114.94 117.39 2qhy s ASN 83 Ca -0.11 2.75 0.05 0.00 -0.71 0.00 0.00 52.86 54.83 2qhy s ASN 83 Cb -0.04 -2.56 -0.01 0.00 0.41 0.00 0.00 41.25 39.06 2qhy s ASN 83 CO 0.03 -1.01 -0.18 0.27 -1.51 0.00 0.00 177.10 174.69 2qhy s ILE 84 N 2.99 1.49 -0.35 0.60 -4.36 0.31 -0.40 121.20 121.48 2qhy s ILE 84 Ca 0.82 -0.76 -0.16 0.00 -0.26 0.00 0.00 60.65 60.29 2qhy s ILE 84 Cb -0.45 -1.27 -0.01 0.00 1.25 0.00 0.00 42.46 41.98 2qhy s ILE 84 CO 0.37 0.43 0.41 -0.63 0.24 0.00 0.00 174.94 175.76 2qhy s ILE 85 N -0.06 5.12 0.45 8.37 -1.09 0.48 -1.53 121.20 132.94 2qhy s ILE 85 Ca -0.02 0.08 0.02 0.00 -2.23 0.00 0.00 60.65 58.51 2qhy s ILE 85 Cb -0.11 -3.88 0.09 0.00 -1.58 0.00 0.00 42.46 36.98 2qhy s ILE 85 CO 0.02 -0.16 0.62 0.61 -1.23 0.00 0.00 174.94 174.80 2qhy n GLY 86 N 4.93 1.18 0.26 6.18 0.00 -1.22 -1.33 105.19 115.18 2qhy n GLY 86 Ca -0.08 -2.08 0.06 0.00 0.00 0.00 0.00 46.02 43.92 2qhy n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qhy h ARG 87 N 0.00 0.15 -0.79 1.61 3.08 -0.44 -0.92 114.38 117.06 2qhy h ARG 87 Ca -0.21 -0.02 0.13 0.00 0.07 0.00 0.00 59.98 59.96 2qhy h ARG 87 Cb 0.83 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.80 2qhy h ARG 87 CO 0.25 0.17 0.52 -2.95 -1.07 0.00 0.00 179.97 176.89 2qhy h ASN 88 N 0.15 0.54 0.00 7.04 -1.07 -1.74 -1.16 115.58 119.33 2qhy h ASN 88 Ca 0.04 0.03 -0.31 0.00 0.07 0.00 0.00 56.30 56.12 2qhy h ASN 88 Cb 0.11 -0.08 -0.06 0.00 -2.07 0.00 0.00 38.32 36.22 2qhy h ASN 88 CO 0.00 0.29 -2.29 0.18 0.07 0.00 0.00 177.43 175.69 2qhy n LEU 89 N -4.51 0.00 -0.29 6.14 4.77 -0.86 -3.98 117.00 118.27 2qhy n LEU 89 Ca 0.15 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.13 2qhy n LEU 89 Cb 0.45 0.42 0.20 0.00 -2.33 0.00 0.00 43.42 42.16 2qhy n LEU 89 CO 0.32 0.42 1.26 -0.07 -1.33 0.00 0.00 177.39 177.99 2qhy h LEU 90 N 0.00 0.97 -0.67 2.23 3.38 -0.90 -1.49 115.31 118.83 2qhy h LEU 90 Ca -0.46 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 2qhy h LEU 90 Cb 2.04 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 42.53 2qhy h LEU 90 CO 0.03 0.68 0.31 0.71 0.09 0.00 0.00 178.44 180.26 2qhy h THR 91 N 1.13 1.23 -0.61 0.22 1.35 -1.41 -0.99 112.91 113.83 2qhy h THR 91 Ca 0.34 -0.66 0.03 0.00 -0.55 0.00 0.00 66.41 65.57 2qhy h THR 91 Cb -0.04 0.42 -0.03 0.00 -1.73 0.00 0.00 68.15 66.77 2qhy h THR 91 CO -0.09 0.27 0.40 1.56 -0.25 0.00 0.00 175.52 177.41 2qhy h GLN 92 N 0.93 0.72 -0.22 4.72 4.20 -1.42 -1.99 115.11 122.04 2qhy h GLN 92 Ca 0.23 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.90 2qhy h GLN 92 Cb 0.14 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.75 2qhy h GLN 92 CO -0.03 0.47 0.00 0.44 -0.67 0.00 0.00 178.83 179.05 2qhy n ILE 93 N -4.46 0.29 -1.64 2.54 -5.35 -0.86 -4.93 119.36 104.94 2qhy n ILE 93 Ca 0.07 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.12 2qhy n ILE 93 Cb 0.12 0.47 0.00 0.00 -1.74 0.00 0.00 39.64 38.49 2qhy n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qhy n GLY 94 N 1.20 0.38 3.71 3.28 0.00 -0.75 -5.02 105.19 108.00 2qhy n GLY 94 Ca 0.16 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 2qhy n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qhy s THR 96 N 0.85 1.48 -0.04 0.00 -4.23 -1.26 -4.65 115.64 107.79 2qhy s THR 96 Ca 0.52 -2.13 -0.13 0.00 -1.18 0.00 0.00 61.69 58.76 2qhy s THR 96 Cb -0.22 -2.11 -0.05 0.00 1.34 0.00 0.00 72.50 71.46 2qhy s THR 96 CO 0.28 -0.54 0.34 -0.76 -0.54 0.00 0.00 174.62 173.40 2qhy s LEU 97 N -3.30 4.44 -0.00 4.79 1.43 -1.26 -5.10 118.68 119.67 2qhy s LEU 97 Ca 0.23 0.81 0.00 0.00 -1.03 0.00 0.00 54.13 54.15 2qhy s LEU 97 Cb 0.02 -2.45 0.00 0.00 0.03 0.00 0.00 46.19 43.79 2qhy s LEU 97 CO 0.06 0.32 0.00 0.20 0.23 0.00 0.00 176.35 177.17 2qhy s ASN 98 N -0.92 0.03 0.00 2.29 0.01 -1.26 -5.29 114.94 109.80 2qhy s ASN 98 Ca 0.21 0.00 0.00 0.00 -0.71 0.00 0.00 52.86 52.36 2qhy s ASN 98 Cb -0.15 -0.01 0.00 0.00 0.41 0.00 0.00 41.25 41.49 2qhy s ASN 98 CO 0.10 -0.02 0.00 2.22 -1.51 0.00 0.00 177.10 177.90