#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbj s VAL 2 N 0.00 3.96 0.32 1.12 0.11 -1.26 -0.80 120.40 123.85 2qbj s VAL 2 Ca 0.00 1.05 0.01 0.00 -2.93 0.00 0.00 61.98 60.11 2qbj s VAL 2 Cb 0.00 -4.08 -0.00 0.00 -1.53 0.00 0.00 36.38 30.77 2qbj s VAL 2 CO 0.00 -0.54 0.03 0.35 -3.33 0.00 0.00 175.10 171.61 2qbj n THR 3 N 6.57 0.00 -3.89 5.04 -2.24 0.05 -1.54 114.28 118.27 2qbj n THR 3 Ca 0.16 -1.61 -0.29 0.00 -2.27 0.00 0.00 64.05 60.04 2qbj n THR 3 Cb 0.47 0.40 -0.16 0.00 -2.10 0.00 0.00 70.33 68.94 2qbj n THR 3 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2qbj s ILE 4 N -2.33 1.23 0.37 2.28 1.01 -1.05 -1.33 121.20 121.38 2qbj s ILE 4 Ca 0.04 -0.94 0.04 0.00 0.00 0.00 0.00 60.65 59.79 2qbj s ILE 4 Cb 0.00 -1.52 -0.03 0.00 0.01 0.00 0.00 42.46 40.92 2qbj s ILE 4 CO 0.03 -0.06 0.14 0.00 0.00 0.00 0.00 174.94 175.05 2qbj s ARG 5 N 1.55 1.82 0.10 2.79 3.03 -1.12 -1.77 118.95 125.35 2qbj s ARG 5 Ca -0.03 -2.08 -0.05 0.00 2.03 0.00 0.00 55.73 55.59 2qbj s ARG 5 Cb -0.18 -0.47 -0.05 0.00 -1.03 0.00 0.00 34.95 33.22 2qbj s ARG 5 CO -0.07 -0.45 0.34 -0.51 -1.13 0.00 0.00 175.30 173.47 2qbj s LEU 6 N -3.53 4.31 -0.16 -1.89 1.02 -1.26 -2.00 118.68 115.17 2qbj s LEU 6 Ca 0.29 0.57 0.01 0.00 0.02 0.00 0.00 54.13 55.02 2qbj s LEU 6 Cb 0.04 -3.11 0.02 0.00 0.02 0.00 0.00 46.19 43.16 2qbj s LEU 6 CO 0.16 0.12 -0.19 0.00 0.02 0.00 0.00 176.35 176.46 2qbj s ALA 7 N -1.54 2.17 -0.44 4.21 0.00 0.65 -4.78 121.76 122.04 2qbj s ALA 7 Ca 0.37 -1.09 -0.28 0.00 0.00 0.00 0.00 51.96 50.96 2qbj s ALA 7 Cb -0.13 -1.09 -0.01 0.00 0.00 0.00 0.00 23.12 21.90 2qbj s ALA 7 CO 0.23 -0.27 1.65 0.50 0.00 0.00 0.00 175.76 177.87 2qbj s ARG 8 N 1.21 3.26 -0.17 0.00 3.52 -1.26 -0.38 118.95 125.13 2qbj s ARG 8 Ca 0.02 1.01 0.14 0.00 -0.13 0.00 0.00 55.73 56.76 2qbj s ARG 8 Cb -0.14 -4.18 0.39 0.00 -1.56 0.00 0.00 34.95 29.47 2qbj s ARG 8 CO -0.09 -1.95 1.20 0.72 -0.81 0.00 0.00 175.30 174.36 2qbj n HIS 9 N 10.24 0.00 -3.82 5.12 8.25 -1.08 -4.93 115.22 129.01 2qbj n HIS 9 Ca 0.19 -1.29 -0.21 0.00 -0.26 0.00 0.00 57.72 56.15 2qbj n HIS 9 Cb 0.48 -0.22 -0.04 0.00 1.12 0.00 0.00 29.99 31.34 2qbj n HIS 9 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2qbj s GLY 10 N -3.01 1.84 0.97 -1.41 0.00 -1.26 -4.62 107.32 99.83 2qbj s GLY 10 Ca 0.36 -1.70 -0.12 0.00 0.00 0.00 0.00 44.72 43.26 2qbj s GLY 10 CO -0.06 -1.61 1.09 0.00 0.00 0.00 0.00 173.10 172.51 2qbj s ALA 11 N -2.34 1.07 0.26 3.20 0.00 0.30 -4.62 121.76 119.63 2qbj s ALA 11 Ca 0.41 -0.15 -0.30 0.00 0.00 0.00 0.00 51.96 51.92 2qbj s ALA 11 Cb -0.05 -3.18 -0.14 0.00 0.00 0.00 0.00 23.12 19.75 2qbj s ALA 11 CO 0.26 -2.74 1.29 1.17 0.00 0.00 0.00 175.76 175.75 2qbj n LYS 12 N -4.14 1.83 0.00 0.00 4.81 -1.26 -0.79 118.16 118.61 2qbj n LYS 12 Ca 0.06 0.65 0.00 0.00 -0.87 0.00 0.00 58.31 58.15 2qbj n LYS 12 Cb 0.56 -2.22 0.00 0.00 0.02 0.00 0.00 35.03 33.38 2qbj n LYS 12 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2qbj n LYS 13 N 1.47 0.00 -3.69 1.64 5.02 -1.26 -4.77 118.16 116.57 2qbj n LYS 13 Ca 0.10 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.11 2qbj n LYS 13 Cb 0.32 -2.38 -0.10 0.00 -0.02 0.00 0.00 35.03 32.84 2qbj n LYS 13 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qbj n ARG 14 N -1.18 2.21 -1.35 1.97 1.74 0.03 -5.09 116.66 114.99 2qbj n ARG 14 Ca 0.00 -4.56 -0.29 0.00 -0.77 0.00 0.00 57.85 52.23 2qbj n ARG 14 Cb 0.00 -2.30 0.15 0.00 -1.02 0.00 0.00 32.46 29.29 2qbj n ARG 14 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2qbj s PRO 15 N -1.85 0.91 -0.50 5.56 0.04 -1.19 -0.54 135.00 137.43 2qbj s PRO 15 Ca 0.30 0.47 0.07 0.00 0.04 0.00 0.00 61.00 61.88 2qbj s PRO 15 Cb 0.02 -1.80 0.21 0.00 0.04 0.00 0.00 34.50 32.97 2qbj s PRO 15 CO -0.11 -2.39 0.75 0.34 0.04 0.00 0.00 177.00 175.63 2qbj n PHE 16 N -3.93 -3.42 -1.65 0.56 -0.00 -1.26 -4.64 117.46 103.12 2qbj n PHE 16 Ca 0.06 -1.66 -0.37 0.00 -0.00 0.00 0.00 57.45 55.48 2qbj n PHE 16 Cb 0.58 1.38 0.07 0.00 -0.00 0.00 0.00 39.48 41.50 2qbj n PHE 16 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 2qbj n TYR 17 N 2.51 1.36 -3.97 -5.13 4.02 -1.23 -2.62 117.16 112.11 2qbj n TYR 17 Ca 0.16 0.42 -0.22 0.00 -0.01 0.00 0.00 57.90 58.26 2qbj n TYR 17 Cb 0.57 -2.20 -0.17 0.00 -0.02 0.00 0.00 39.34 37.53 2qbj n TYR 17 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 2qbj s GLN 18 N -3.14 0.77 0.26 -0.72 0.74 0.49 -2.43 119.66 115.63 2qbj s GLN 18 Ca 0.80 -0.02 -0.30 0.00 0.05 0.00 0.00 55.36 55.89 2qbj s GLN 18 Cb -0.39 -0.94 -0.09 0.00 1.10 0.00 0.00 33.01 32.69 2qbj s GLN 18 CO 0.43 -0.19 1.10 0.08 -0.55 0.00 0.00 175.29 176.16 2qbj s VAL 19 N 1.42 3.54 -0.26 1.34 1.01 -1.04 -0.25 120.40 126.17 2qbj s VAL 19 Ca -0.03 1.52 -0.26 0.00 0.00 0.00 0.00 61.98 63.21 2qbj s VAL 19 Cb -0.13 -3.97 0.10 0.00 0.00 0.00 0.00 36.38 32.38 2qbj s VAL 19 CO -0.03 0.35 0.92 0.54 0.00 0.00 0.00 175.10 176.88 2qbj s VAL 20 N -1.01 0.00 -0.20 2.92 0.11 -0.84 -2.89 120.40 118.48 2qbj s VAL 20 Ca 0.45 0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 59.27 2qbj s VAL 20 Cb -0.32 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.52 2qbj s VAL 20 CO 0.40 0.00 0.75 -0.69 -3.33 0.00 0.00 175.10 172.23 2qbj s VAL 21 N 0.09 4.93 0.29 2.04 1.01 -0.44 -2.78 120.40 125.53 2qbj s VAL 21 Ca 0.01 1.43 -0.13 0.00 0.00 0.00 0.00 61.98 63.29 2qbj s VAL 21 Cb -0.04 -4.05 0.01 0.00 0.00 0.00 0.00 36.38 32.29 2qbj s VAL 21 CO -0.03 0.04 0.57 0.00 0.00 0.00 0.00 175.10 175.68 2qbj s ALA 22 N 2.22 -0.33 0.02 5.51 0.00 -0.44 -0.81 121.76 127.94 2qbj s ALA 22 Ca 0.33 -0.86 -0.30 0.00 0.00 0.00 0.00 51.96 51.13 2qbj s ALA 22 Cb -0.16 0.99 -0.04 0.00 0.00 0.00 0.00 23.12 23.91 2qbj s ALA 22 CO 0.10 -0.90 1.06 0.34 0.00 0.00 0.00 175.76 176.37 2qbj s ASP 23 N -3.04 7.26 0.18 0.00 -1.08 -1.26 -0.77 116.67 117.95 2qbj s ASP 23 Ca 0.21 1.79 -0.20 0.00 -0.52 0.00 0.00 52.55 53.83 2qbj s ASP 23 Cb -0.02 -2.57 0.12 0.00 -1.46 0.00 0.00 42.92 38.99 2qbj s ASP 23 CO 0.11 -0.34 1.61 0.77 0.52 0.00 0.00 175.17 177.84 2qbj h SER 24 N 6.79 -0.91 -0.36 -0.34 4.64 -1.32 0.89 113.55 122.95 2qbj h SER 24 Ca -0.41 0.19 0.11 0.00 -0.47 0.00 0.00 61.79 61.20 2qbj h SER 24 Cb 1.22 0.47 -0.01 0.00 -0.31 0.00 0.00 62.40 63.76 2qbj h SER 24 CO 0.77 -0.28 0.35 0.03 -0.87 0.00 0.00 176.83 176.84 2qbj h ARG 25 N -0.15 0.00 -6.91 4.77 -0.00 -1.93 -3.42 114.38 106.73 2qbj h ARG 25 Ca 0.22 0.00 -0.53 0.00 -0.50 0.00 0.00 59.98 59.17 2qbj h ARG 25 Cb 0.50 0.00 0.09 0.00 0.00 0.00 0.00 29.97 30.57 2qbj h ARG 25 CO -0.58 0.00 0.75 -0.80 0.00 0.00 0.00 179.97 179.34 2qbj s ASN 26 N -5.65 6.46 0.86 7.04 0.02 0.31 -4.95 114.94 119.03 2qbj s ASN 26 Ca -0.05 2.94 -0.14 0.00 -1.02 0.00 0.00 52.86 54.60 2qbj s ASN 26 Cb 0.16 -2.66 0.03 0.00 0.02 0.00 0.00 41.25 38.81 2qbj s ASN 26 CO 0.59 -0.79 0.67 0.00 0.02 0.00 0.00 177.10 177.59 2qbj n ALA 27 N 0.72 -1.61 -1.00 0.60 0.00 -1.26 -4.89 120.51 113.07 2qbj n ALA 27 Ca 0.01 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.01 2qbj n ALA 27 Cb 0.40 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 17.91 2qbj n ALA 27 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2qbj n ARG 28 N -1.98 0.00 0.00 0.00 -4.01 -1.26 -2.02 116.66 107.40 2qbj n ARG 28 Ca 0.09 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.90 2qbj n ARG 28 Cb 0.52 -0.40 0.00 0.00 -3.04 0.00 0.00 32.46 29.54 2qbj n ARG 28 CO 0.00 0.00 0.00 0.09 -3.04 0.00 0.00 177.63 174.68 2qbj n ASN 29 N 0.00 1.00 -0.98 2.89 3.02 -1.26 -4.74 115.26 115.18 2qbj n ASN 29 Ca 0.00 -1.23 0.00 0.00 -0.03 0.00 0.00 54.58 53.32 2qbj n ASN 29 Cb 0.00 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 2qbj n ASN 29 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qbj n GLY 30 N 0.35 1.35 3.47 7.41 0.00 -0.85 -5.01 105.19 111.91 2qbj n GLY 30 Ca 0.00 -1.82 -0.52 0.00 0.00 0.00 0.00 46.02 43.68 2qbj n GLY 30 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qbj n ARG 31 N 0.00 0.26 -3.72 1.61 0.63 -1.26 -4.92 116.66 109.26 2qbj n ARG 31 Ca 0.00 0.09 -0.13 0.00 -0.92 0.00 0.00 57.85 56.89 2qbj n ARG 31 Cb 0.00 -1.38 -0.14 0.00 0.45 0.00 0.00 32.46 31.40 2qbj n ARG 31 CO 0.00 0.00 0.00 -0.59 -2.51 0.00 0.00 177.63 174.53 2qbj s PHE 32 N -0.50 -0.29 0.00 -0.14 -0.71 -1.26 -4.64 117.98 110.45 2qbj s PHE 32 Ca 0.75 0.72 0.00 0.00 -1.04 0.00 0.00 56.93 57.36 2qbj s PHE 32 Cb -1.03 -0.01 0.00 0.00 -1.21 0.00 0.00 43.02 40.77 2qbj s PHE 32 CO 0.56 -0.23 0.69 -0.89 -1.34 0.00 0.00 175.22 174.01 2qbj n ILE 33 N 4.37 0.00 -3.95 -4.49 5.41 0.01 -4.76 119.36 115.94 2qbj n ILE 33 Ca -0.23 1.19 -0.13 0.00 1.00 0.00 0.00 62.75 64.58 2qbj n ILE 33 Cb 0.52 -1.85 -0.14 0.00 -0.71 0.00 0.00 39.64 37.46 2qbj n ILE 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 2qbj s GLU 34 N -1.75 0.13 0.08 0.38 -1.05 -0.89 -5.03 118.70 110.57 2qbj s GLU 34 Ca 0.00 -0.08 -0.27 0.00 -0.15 0.00 0.00 54.97 54.47 2qbj s GLU 34 Cb 0.00 -0.11 -0.06 0.00 -0.44 0.00 0.00 34.13 33.53 2qbj s GLU 34 CO 0.00 0.03 0.85 0.50 0.95 0.00 0.00 175.26 177.58 2qbj s ARG 35 N -0.11 4.58 -0.19 -4.83 3.00 -1.26 -1.33 118.95 118.81 2qbj s ARG 35 Ca -0.00 1.23 -0.04 0.00 -1.00 0.00 0.00 55.73 55.91 2qbj s ARG 35 Cb -0.01 -3.37 0.09 0.00 0.00 0.00 0.00 34.95 31.66 2qbj s ARG 35 CO -0.00 0.26 0.20 0.54 0.00 0.00 0.00 175.30 176.30 2qbj s VAL 36 N -0.06 -0.28 0.47 7.11 0.11 -1.14 -4.93 120.40 121.68 2qbj s VAL 36 Ca 0.42 -0.10 0.00 0.00 -2.93 0.00 0.00 61.98 59.37 2qbj s VAL 36 Cb -0.22 -0.64 0.00 0.00 -1.53 0.00 0.00 36.38 33.99 2qbj s VAL 36 CO 0.26 -0.20 0.00 0.61 -3.33 0.00 0.00 175.10 172.44 2qbj n GLY 37 N 5.31 -3.22 0.09 6.54 0.00 -1.26 -4.20 105.19 108.46 2qbj n GLY 37 Ca -0.06 -1.14 -0.01 0.00 0.00 0.00 0.00 46.02 44.81 2qbj n GLY 37 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2qbj n PHE 38 N -3.75 0.00 -3.49 1.61 1.16 -1.26 -2.49 117.46 109.24 2qbj n PHE 38 Ca -0.07 -0.07 -0.16 0.00 -1.87 0.00 0.00 57.45 55.27 2qbj n PHE 38 Cb 0.52 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.34 2qbj n PHE 38 CO 0.00 0.00 0.00 0.12 -1.87 0.00 0.00 176.76 175.01 2qbj s PHE 39 N -1.59 -0.62 -0.14 2.97 5.36 -1.02 -1.70 117.98 121.25 2qbj s PHE 39 Ca 0.01 0.87 -0.03 0.00 -0.96 0.00 0.00 56.93 56.81 2qbj s PHE 39 Cb 0.00 0.46 0.05 0.00 -0.34 0.00 0.00 43.02 43.19 2qbj s PHE 39 CO 0.00 -0.68 0.05 1.21 -1.46 0.00 0.00 175.22 174.34 2qbj s ASN 40 N -1.68 2.27 0.00 6.13 3.84 -0.10 -3.47 114.94 121.94 2qbj s ASN 40 Ca -0.07 -0.51 0.11 0.00 0.21 0.00 0.00 52.86 52.61 2qbj s ASN 40 Cb -0.00 -0.42 0.54 0.00 -0.55 0.00 0.00 41.25 40.82 2qbj s ASN 40 CO 0.03 -0.29 1.37 -0.81 -2.79 0.00 0.00 177.10 174.60 2qbj n PRO 41 N 5.16 1.25 0.01 0.43 -0.04 -1.26 -4.44 135.00 136.11 2qbj n PRO 41 Ca -0.07 -0.39 0.00 0.00 -0.04 0.00 0.00 63.50 63.00 2qbj n PRO 41 Cb 0.49 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 2qbj n PRO 41 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2qbj n ILE 42 N -0.29 0.06 -2.90 0.52 2.08 -1.26 -5.07 119.36 112.50 2qbj n ILE 42 Ca 0.09 0.02 0.00 0.00 0.56 0.00 0.00 62.75 63.42 2qbj n ILE 42 Cb 0.12 -0.64 0.00 0.00 -0.75 0.00 0.00 39.64 38.38 2qbj n ILE 42 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2qbj n ALA 43 N -2.58 0.00 0.00 -1.39 0.00 -1.26 -4.74 120.51 110.54 2qbj n ALA 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qbj n ALA 43 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qbj n ALA 43 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2qbj n SER 44 N -1.90 0.00 -2.23 0.00 3.41 -1.26 -4.84 113.62 106.79 2qbj n SER 44 Ca 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.43 2qbj n SER 44 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 2qbj n SER 44 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2qbj n GLU 45 N 0.00 -1.76 -0.30 4.33 0.00 -1.26 -4.76 120.64 116.89 2qbj n GLU 45 Ca 0.00 0.92 -0.07 0.00 0.00 0.00 0.00 57.16 58.01 2qbj n GLU 45 Cb 0.00 -5.51 -0.02 0.00 0.00 0.00 0.00 31.44 25.91 2qbj n GLU 45 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 2qbj n LYS 46 N -2.80 0.76 0.00 5.31 2.85 -1.26 -4.63 118.16 118.40 2qbj n LYS 46 Ca -0.21 -0.65 0.00 0.00 -1.05 0.00 0.00 58.31 56.40 2qbj n LYS 46 Cb 0.65 -1.97 0.00 0.00 -0.65 0.00 0.00 35.03 33.06 2qbj n LYS 46 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2qbj n GLU 47 N 3.91 0.00 0.00 -1.58 -0.58 -1.26 -4.70 120.64 116.43 2qbj n GLU 47 Ca 0.16 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 2qbj n GLU 47 Cb 0.13 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.00 2qbj n GLU 47 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2qbj n GLU 48 N 0.00 3.36 0.00 3.49 4.07 -1.26 -5.04 120.64 125.27 2qbj n GLU 48 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2qbj n GLU 48 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 2qbj n GLU 48 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2qbj n GLY 49 N 5.00 0.13 3.58 8.31 0.00 -1.26 -4.63 105.19 116.33 2qbj n GLY 49 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2qbj n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qbj s THR 50 N 0.00 -0.41 0.18 2.61 2.01 -1.26 -0.92 115.64 117.84 2qbj s THR 50 Ca 0.00 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.02 2qbj s THR 50 Cb 0.00 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.53 2qbj s THR 50 CO 0.00 0.00 0.13 0.54 -0.69 0.00 0.00 174.62 174.60 2qbj n ARG 51 N 4.66 1.24 0.00 4.92 3.00 -0.69 -4.99 116.66 124.82 2qbj n ARG 51 Ca -0.15 -1.13 0.00 0.00 -0.01 0.00 0.00 57.85 56.57 2qbj n ARG 51 Cb 0.54 0.13 0.00 0.00 0.00 0.00 0.00 32.46 33.13 2qbj n ARG 51 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2qbj n LEU 52 N 0.00 0.00 -3.96 0.55 7.94 -1.26 -4.18 117.00 116.09 2qbj n LEU 52 Ca -0.01 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.60 2qbj n LEU 52 Cb 0.20 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.16 2qbj n LEU 52 CO 0.12 0.00 -0.04 -0.67 -1.11 0.00 0.00 177.39 175.69 2qbj n ASP 53 N -0.37 -2.68 -0.15 1.96 4.64 -1.26 -4.23 116.55 114.46 2qbj n ASP 53 Ca 0.00 -0.90 0.05 0.00 -1.38 0.00 0.00 54.79 52.56 2qbj n ASP 53 Cb 0.00 -3.43 0.09 0.00 -1.04 0.00 0.00 41.12 36.75 2qbj n ASP 53 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 2qbj n LEU 54 N -4.47 -0.09 -0.25 -2.67 4.77 -1.26 -1.01 117.00 112.02 2qbj n LEU 54 Ca -0.10 0.71 -0.09 0.00 -0.03 0.00 0.00 56.01 56.51 2qbj n LEU 54 Cb 0.58 -0.24 -0.07 0.00 -2.33 0.00 0.00 43.42 41.36 2qbj n LEU 54 CO 0.77 -0.70 0.49 -0.78 -1.33 0.00 0.00 177.39 175.83 2qbj h ASP 55 N 0.00 -1.51 -0.64 -1.43 3.58 -2.01 0.17 116.42 114.57 2qbj h ASP 55 Ca 0.23 0.22 -0.02 0.00 0.42 0.00 0.00 57.03 57.88 2qbj h ASP 55 Cb 0.43 0.66 -0.03 0.00 1.72 0.00 0.00 39.33 42.10 2qbj h ASP 55 CO -0.41 -0.20 0.34 0.03 -2.88 0.00 0.00 179.24 176.12 2qbj h ARG 56 N -0.08 0.92 -0.29 0.28 2.47 -1.41 -2.84 114.38 113.43 2qbj h ARG 56 Ca 0.10 -0.11 0.07 0.00 -1.26 0.00 0.00 59.98 58.78 2qbj h ARG 56 Cb 0.34 -0.18 -0.08 0.00 -1.65 0.00 0.00 29.97 28.40 2qbj h ARG 56 CO -0.61 0.69 -0.25 0.82 0.56 0.00 0.00 179.97 181.18 2qbj h ILE 57 N 0.92 0.37 -0.24 2.04 1.08 -0.61 -2.39 117.51 118.68 2qbj h ILE 57 Ca 0.23 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.76 2qbj h ILE 57 Cb 0.06 0.37 -0.06 0.00 -3.07 0.00 0.00 36.82 34.12 2qbj h ILE 57 CO -0.03 0.00 -0.14 0.00 -0.69 0.00 0.00 178.15 177.29 2qbj h ALA 58 N 0.84 0.05 -0.55 1.87 0.00 -0.86 -2.78 119.26 117.82 2qbj h ALA 58 Ca 0.15 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.20 2qbj h ALA 58 Cb 0.47 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 2qbj h ALA 58 CO -0.42 -0.55 -0.32 1.58 0.00 0.00 0.00 179.25 179.53 2qbj n HIS 59 N -5.30 -0.24 -0.08 0.00 -0.00 -0.90 -1.24 115.22 107.45 2qbj n HIS 59 Ca -0.01 0.69 -0.09 0.00 -0.00 0.00 0.00 57.72 58.31 2qbj n HIS 59 Cb 0.22 -0.52 -0.02 0.00 -0.00 0.00 0.00 29.99 29.67 2qbj n HIS 59 CO 0.00 0.00 0.00 -1.49 -0.00 0.00 0.00 176.34 174.85 2qbj h TRP 60 N 0.00 0.37 -0.33 1.57 4.06 -1.54 -2.95 115.95 117.12 2qbj h TRP 60 Ca 0.09 -0.00 0.07 0.00 2.06 0.00 0.00 58.89 61.10 2qbj h TRP 60 Cb 0.23 -0.12 -0.08 0.00 -1.00 0.00 0.00 29.16 28.18 2qbj h TRP 60 CO -0.84 0.28 -0.37 0.28 -3.56 0.00 0.00 178.44 174.23 2qbj h VAL 61 N 0.35 0.19 0.00 1.49 2.07 -0.89 0.41 116.25 119.86 2qbj h VAL 61 Ca 0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.62 2qbj h VAL 61 Cb 0.02 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 2qbj h VAL 61 CO -0.02 0.00 0.00 1.23 0.02 0.00 0.00 177.57 178.80 2qbj h GLY 62 N -0.33 0.00 -0.35 2.17 0.00 -1.17 0.57 103.07 103.96 2qbj h GLY 62 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 2qbj h GLY 62 CO -0.51 0.00 -0.15 -1.06 0.00 0.00 0.00 176.54 174.82 2qbj n GLN 63 N -2.88 1.34 0.00 4.80 6.02 0.13 -4.90 117.38 121.88 2qbj n GLN 63 Ca -0.02 -0.86 0.00 0.00 -0.01 0.00 0.00 57.00 56.11 2qbj n GLN 63 Cb 0.08 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.86 2qbj n GLN 63 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qbj n GLY 64 N 1.28 0.85 3.75 1.08 0.00 0.17 -5.07 105.19 107.26 2qbj n GLY 64 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2qbj n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbj s ALA 65 N -1.82 3.68 -0.57 4.61 0.00 -0.11 -4.77 121.76 122.78 2qbj s ALA 65 Ca 0.00 1.46 -0.09 0.00 0.00 0.00 0.00 51.96 53.34 2qbj s ALA 65 Cb 0.00 -3.60 0.15 0.00 0.00 0.00 0.00 23.12 19.66 2qbj s ALA 65 CO 0.00 -0.88 0.44 0.99 0.00 0.00 0.00 175.76 176.31 2qbj s THR 66 N -0.14 4.37 0.16 0.00 2.01 -0.59 -4.48 115.64 116.97 2qbj s THR 66 Ca 0.60 -2.15 -0.32 0.00 0.31 0.00 0.00 61.69 60.13 2qbj s THR 66 Cb -0.45 -3.83 -0.12 0.00 0.01 0.00 0.00 72.50 68.11 2qbj s THR 66 CO 0.48 -0.84 1.77 0.00 -0.69 0.00 0.00 174.62 175.33 2qbj n ILE 67 N 4.45 0.17 -1.05 1.82 0.13 -1.26 -2.54 119.36 121.08 2qbj n ILE 67 Ca -0.01 -0.03 -0.30 0.00 -1.10 0.00 0.00 62.75 61.32 2qbj n ILE 67 Cb 0.41 -2.01 0.22 0.00 -0.84 0.00 0.00 39.64 37.43 2qbj n ILE 67 CO 0.00 0.00 0.00 -0.94 2.80 0.00 0.00 176.55 178.41 2qbj s SER 68 N 1.87 1.30 0.00 9.51 1.04 -0.73 -4.81 113.70 121.89 2qbj s SER 68 Ca 0.79 0.83 0.00 0.00 0.48 0.00 0.00 55.95 58.05 2qbj s SER 68 Cb -0.51 -1.23 0.00 0.00 0.10 0.00 0.00 66.02 64.38 2qbj s SER 68 CO 0.35 -3.91 0.54 0.47 0.98 0.00 0.00 173.24 171.67 2qbj n ASP 69 N -4.65 0.00 -0.29 7.02 8.00 -1.26 -1.67 116.55 123.70 2qbj n ASP 69 Ca 0.10 0.63 0.02 0.00 0.71 0.00 0.00 54.79 56.25 2qbj n ASP 69 Cb 0.59 -0.28 0.10 0.00 -0.02 0.00 0.00 41.12 41.50 2qbj n ASP 69 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 2qbj h ARG 70 N 0.00 -0.01 -0.48 -1.24 9.65 -1.96 0.14 114.38 120.48 2qbj h ARG 70 Ca 0.00 0.00 0.02 0.00 -1.10 0.00 0.00 59.98 58.90 2qbj h ARG 70 Cb 0.00 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.55 2qbj h ARG 70 CO 0.00 -0.01 0.30 -0.24 2.80 0.00 0.00 179.97 182.82 2qbj h VAL 71 N -0.01 1.07 -0.35 0.20 3.04 -1.88 -2.59 116.25 115.74 2qbj h VAL 71 Ca 0.39 -0.20 0.07 0.00 -1.01 0.00 0.00 66.70 65.95 2qbj h VAL 71 Cb 0.61 0.43 -0.07 0.00 -2.01 0.00 0.00 31.29 30.25 2qbj h VAL 71 CO -0.86 0.11 -0.10 0.00 -1.01 0.00 0.00 177.57 175.71 2qbj h ALA 72 N 1.20 0.22 -0.68 3.17 0.00 0.17 -1.02 119.26 122.31 2qbj h ALA 72 Ca 0.19 0.14 0.14 0.00 0.00 0.00 0.00 54.91 55.38 2qbj h ALA 72 Cb -0.02 0.28 -0.11 0.00 0.00 0.00 0.00 17.79 17.95 2qbj h ALA 72 CO -0.07 -0.47 0.11 0.00 0.00 0.00 0.00 179.25 178.82 2qbj h ALA 73 N 1.33 0.80 -0.59 0.00 0.00 -0.92 -0.09 119.26 119.79 2qbj h ALA 73 Ca 0.17 0.17 0.11 0.00 0.00 0.00 0.00 54.91 55.36 2qbj h ALA 73 Cb 0.27 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 18.24 2qbj h ALA 73 CO -0.37 -0.36 0.14 -0.07 0.00 0.00 0.00 179.25 178.60 2qbj h LEU 74 N 0.21 0.03 -0.77 0.00 3.38 -0.94 0.43 115.31 117.66 2qbj h LEU 74 Ca 0.37 0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.53 2qbj h LEU 74 Cb 0.62 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.44 2qbj h LEU 74 CO -0.51 0.03 0.43 0.40 0.09 0.00 0.00 178.44 178.88 2qbj h ILE 75 N 0.28 0.93 -0.08 1.22 2.04 -0.69 -2.03 117.51 119.19 2qbj h ILE 75 Ca 0.31 -0.26 -0.07 0.00 1.00 0.00 0.00 64.86 65.83 2qbj h ILE 75 Cb 0.44 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 2qbj h ILE 75 CO -0.38 0.14 -0.24 0.11 0.00 0.00 0.00 178.15 177.78 2qbj h LYS 76 N 0.76 0.30 -0.85 2.37 1.79 -0.97 -3.24 116.57 116.74 2qbj h LYS 76 Ca 0.36 -0.22 0.15 0.00 -2.18 0.00 0.00 60.65 58.76 2qbj h LYS 76 Cb 0.29 0.04 -0.10 0.00 -1.58 0.00 0.00 32.23 30.88 2qbj h LYS 76 CO -0.22 0.84 0.42 0.93 -1.08 0.00 0.00 179.45 180.34 2qbj h GLU 77 N -0.18 0.57 -5.77 3.15 5.08 -0.69 -3.37 114.58 113.37 2qbj h GLU 77 Ca -0.01 -0.03 -0.58 0.00 -1.00 0.00 0.00 59.36 57.74 2qbj h GLU 77 Cb 0.87 -0.13 -0.08 0.00 0.50 0.00 0.00 28.75 29.91 2qbj h GLU 77 CO 0.05 0.38 0.02 0.54 -1.00 0.00 0.00 179.01 179.00 2qbj s VAL 78 N -5.97 5.08 1.03 3.13 0.11 -0.78 -5.04 120.40 117.96 2qbj s VAL 78 Ca -0.12 1.16 -0.18 0.00 -2.93 0.00 0.00 61.98 59.92 2qbj s VAL 78 Cb 0.22 -3.92 0.07 0.00 -1.53 0.00 0.00 36.38 31.22 2qbj s VAL 78 CO 0.78 0.21 -0.17 0.59 -3.33 0.00 0.00 175.10 173.18 2qbj n ASN 79 N 4.31 -2.70 0.00 3.54 3.02 -1.26 -4.81 115.26 117.36 2qbj n ASN 79 Ca -0.03 -0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.32 2qbj n ASN 79 Cb 0.51 -0.78 0.00 0.00 -0.61 0.00 0.00 39.78 38.89 2qbj n ASN 79 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93