#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbf s VAL 2 N 0.00 4.69 0.36 1.12 0.11 -1.26 0.14 120.40 125.57 2qbf s VAL 2 Ca 0.00 0.95 0.03 0.00 -2.93 0.00 0.00 61.98 60.04 2qbf s VAL 2 Cb 0.00 -4.24 -0.04 0.00 -1.53 0.00 0.00 36.38 30.57 2qbf s VAL 2 CO 0.00 -0.47 0.10 0.42 -3.33 0.00 0.00 175.10 171.82 2qbf s THR 3 N 3.20 0.79 -0.28 5.04 -4.23 -0.43 -2.34 115.64 117.40 2qbf s THR 3 Ca 0.33 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.83 2qbf s THR 3 Cb -0.13 -2.53 0.04 0.00 1.34 0.00 0.00 72.50 71.23 2qbf s THR 3 CO 0.17 0.00 -0.03 -0.63 -0.54 0.00 0.00 174.62 173.59 2qbf s ILE 4 N -3.30 2.88 0.11 2.99 1.01 -1.05 -1.37 121.20 122.46 2qbf s ILE 4 Ca 0.30 -1.29 0.01 0.00 0.00 0.00 0.00 60.65 59.67 2qbf s ILE 4 Cb 0.05 -2.60 -0.01 0.00 0.01 0.00 0.00 42.46 39.92 2qbf s ILE 4 CO 0.15 -0.00 0.05 -2.11 0.00 0.00 0.00 174.94 173.02 2qbf n ARG 5 N 4.62 0.63 -4.95 2.79 1.85 -0.86 -1.80 116.66 118.94 2qbf n ARG 5 Ca -0.14 -0.94 -0.31 0.00 -1.00 0.00 0.00 57.85 55.46 2qbf n ARG 5 Cb 0.44 0.58 -0.15 0.00 -1.05 0.00 0.00 32.46 32.29 2qbf n ARG 5 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2qbf s LEU 6 N 0.00 2.24 -0.09 2.89 1.02 -1.26 0.11 118.68 123.58 2qbf s LEU 6 Ca 0.07 -0.52 0.02 0.00 0.02 0.00 0.00 54.13 53.72 2qbf s LEU 6 Cb 0.00 -1.35 -0.02 0.00 0.02 0.00 0.00 46.19 44.85 2qbf s LEU 6 CO 0.05 0.27 -0.16 0.00 0.02 0.00 0.00 176.35 176.54 2qbf s ALA 7 N -0.78 2.53 -0.36 4.21 0.00 -0.74 -4.79 121.76 121.83 2qbf s ALA 7 Ca 0.12 -0.94 -0.29 0.00 0.00 0.00 0.00 51.96 50.85 2qbf s ALA 7 Cb -0.10 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 21.99 2qbf s ALA 7 CO 0.02 0.37 1.42 0.50 0.00 0.00 0.00 175.76 178.06 2qbf s ARG 8 N -0.05 3.68 -0.03 0.00 3.52 -1.26 -0.51 118.95 124.30 2qbf s ARG 8 Ca -0.04 1.12 0.04 0.00 -0.13 0.00 0.00 55.73 56.72 2qbf s ARG 8 Cb -0.14 -3.99 0.07 0.00 -1.56 0.00 0.00 34.95 29.33 2qbf s ARG 8 CO 0.04 -1.42 0.91 0.72 -0.81 0.00 0.00 175.30 174.74 2qbf n HIS 9 N 8.50 0.00 0.00 5.12 8.25 -1.17 -4.93 115.22 130.99 2qbf n HIS 9 Ca 0.16 -0.34 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 2qbf n HIS 9 Cb 0.47 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.52 2qbf n HIS 9 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qbf n GLY 10 N -0.44 0.64 3.83 -1.41 0.00 -1.24 -4.66 105.19 101.91 2qbf n GLY 10 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 2qbf n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbf s ALA 11 N -3.38 -1.70 0.00 4.61 0.00 0.52 -4.79 121.76 117.01 2qbf s ALA 11 Ca 0.00 -0.11 -0.33 0.00 0.00 0.00 0.00 51.96 51.52 2qbf s ALA 11 Cb 0.00 0.70 -0.12 0.00 0.00 0.00 0.00 23.12 23.70 2qbf s ALA 11 CO 0.00 -1.06 1.82 1.17 0.00 0.00 0.00 175.76 177.69 2qbf n LYS 12 N -0.63 2.31 -0.71 0.00 4.81 -1.26 -0.41 118.16 122.27 2qbf n LYS 12 Ca -0.04 0.85 0.00 0.00 -0.87 0.00 0.00 58.31 58.25 2qbf n LYS 12 Cb 0.60 -2.69 0.00 0.00 0.02 0.00 0.00 35.03 32.96 2qbf n LYS 12 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2qbf n LYS 13 N 5.95 -0.64 -3.18 1.64 5.02 -1.26 -4.80 118.16 120.89 2qbf n LYS 13 Ca 0.21 0.16 -0.23 0.00 -2.02 0.00 0.00 58.31 56.43 2qbf n LYS 13 Cb 0.31 -4.46 -0.06 0.00 -0.02 0.00 0.00 35.03 30.79 2qbf n LYS 13 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qbf n ARG 14 N -1.08 0.61 -1.28 1.97 1.74 0.45 -5.14 116.66 113.93 2qbf n ARG 14 Ca 0.00 -3.07 -0.29 0.00 -0.77 0.00 0.00 57.85 53.72 2qbf n ARG 14 Cb 0.16 -1.32 0.19 0.00 -1.02 0.00 0.00 32.46 30.46 2qbf n ARG 14 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2qbf s PRO 15 N -0.77 0.13 -0.47 5.56 0.04 -1.14 0.20 135.00 138.55 2qbf s PRO 15 Ca 0.34 0.23 0.04 0.00 0.04 0.00 0.00 61.00 61.66 2qbf s PRO 15 Cb 0.15 -1.73 0.22 0.00 0.04 0.00 0.00 34.50 33.18 2qbf s PRO 15 CO -0.14 -2.87 0.87 0.34 0.04 0.00 0.00 177.00 175.25 2qbf n PHE 16 N -4.22 -3.03 -1.54 0.56 -0.00 -1.26 -4.54 117.46 103.43 2qbf n PHE 16 Ca 0.08 -1.35 -0.37 0.00 -0.00 0.00 0.00 57.45 55.81 2qbf n PHE 16 Cb 0.59 1.43 0.07 0.00 -0.00 0.00 0.00 39.48 41.57 2qbf n PHE 16 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 2qbf n TYR 17 N 2.35 0.80 -3.84 -5.13 4.02 -1.13 -3.04 117.16 111.18 2qbf n TYR 17 Ca 0.13 0.42 -0.29 0.00 -0.01 0.00 0.00 57.90 58.14 2qbf n TYR 17 Cb 0.61 -2.12 -0.16 0.00 -0.02 0.00 0.00 39.34 37.65 2qbf n TYR 17 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 2qbf s GLN 18 N -3.01 1.17 0.29 -0.72 2.00 0.33 -2.77 119.66 116.94 2qbf s GLN 18 Ca 0.76 -0.70 -0.30 0.00 -2.00 0.00 0.00 55.36 53.13 2qbf s GLN 18 Cb -0.39 -2.33 -0.11 0.00 0.80 0.00 0.00 33.01 30.99 2qbf s GLN 18 CO 0.47 -0.60 1.53 0.08 -0.50 0.00 0.00 175.29 176.27 2qbf s VAL 19 N 1.62 2.26 -0.24 1.34 1.01 -1.04 -1.80 120.40 123.56 2qbf s VAL 19 Ca -0.03 0.22 -0.26 0.00 0.00 0.00 0.00 61.98 61.91 2qbf s VAL 19 Cb -0.18 -3.14 0.09 0.00 0.00 0.00 0.00 36.38 33.15 2qbf s VAL 19 CO -0.07 0.04 0.82 0.54 0.00 0.00 0.00 175.10 176.43 2qbf s VAL 20 N -0.17 0.00 -0.18 2.92 0.11 0.12 -2.01 120.40 121.18 2qbf s VAL 20 Ca 0.60 0.00 -0.22 0.00 -2.93 0.00 0.00 61.98 59.44 2qbf s VAL 20 Cb -0.46 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.37 2qbf s VAL 20 CO 0.48 0.00 0.66 -0.69 -3.33 0.00 0.00 175.10 172.22 2qbf s VAL 21 N 0.09 5.01 0.29 2.04 1.01 -0.22 -2.03 120.40 126.59 2qbf s VAL 21 Ca -0.00 1.26 -0.14 0.00 0.00 0.00 0.00 61.98 63.09 2qbf s VAL 21 Cb -0.04 -3.98 0.01 0.00 0.00 0.00 0.00 36.38 32.37 2qbf s VAL 21 CO -0.00 0.11 0.60 0.00 0.00 0.00 0.00 175.10 175.81 2qbf s ALA 22 N 1.84 -0.49 -0.20 5.51 0.00 -0.47 -0.38 121.76 127.58 2qbf s ALA 22 Ca 0.31 -0.76 -0.29 0.00 0.00 0.00 0.00 51.96 51.21 2qbf s ALA 22 Cb -0.16 0.96 -0.01 0.00 0.00 0.00 0.00 23.12 23.91 2qbf s ALA 22 CO 0.11 -0.92 1.23 0.34 0.00 0.00 0.00 175.76 176.52 2qbf s ASP 23 N -3.02 6.93 0.24 0.00 -1.08 -1.26 -1.31 116.67 117.16 2qbf s ASP 23 Ca 0.19 1.56 -0.06 0.00 -0.52 0.00 0.00 52.55 53.72 2qbf s ASP 23 Cb -0.03 -2.54 0.41 0.00 -1.46 0.00 0.00 42.92 39.31 2qbf s ASP 23 CO 0.10 -0.80 1.33 -1.54 0.52 0.00 0.00 175.17 174.79 2qbf n SER 24 N 6.72 -0.29 -0.16 -0.34 3.41 0.38 -0.20 113.62 123.14 2qbf n SER 24 Ca 0.14 1.47 -0.02 0.00 -0.26 0.00 0.00 58.87 60.19 2qbf n SER 24 Cb 0.45 -0.45 0.05 0.00 -0.26 0.00 0.00 64.21 64.00 2qbf n SER 24 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2qbf h ARG 25 N 0.00 0.05 -6.30 4.33 -0.00 -1.91 -3.43 114.38 107.12 2qbf h ARG 25 Ca 0.42 -0.00 -0.62 0.00 -0.50 0.00 0.00 59.98 59.28 2qbf h ARG 25 Cb 0.66 -0.01 0.13 0.00 0.00 0.00 0.00 29.97 30.75 2qbf h ARG 25 CO -0.87 0.03 -0.31 0.09 0.00 0.00 0.00 179.97 178.91 2qbf n ASN 26 N -5.30 -0.48 -4.68 7.04 5.03 0.72 -4.89 115.26 112.70 2qbf n ASN 26 Ca 0.05 1.01 -0.33 0.00 0.87 0.00 0.00 54.58 56.18 2qbf n ASN 26 Cb 0.27 -1.12 0.14 0.00 -1.02 0.00 0.00 39.78 38.05 2qbf n ASN 26 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2qbf n ALA 27 N -0.47 -0.33 -1.00 5.41 0.00 -1.26 -4.89 120.51 117.97 2qbf n ALA 27 Ca 0.12 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.16 2qbf n ALA 27 Cb 0.35 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.59 2qbf n ALA 27 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2qbf n ARG 28 N -3.48 0.00 0.00 0.00 -4.01 -1.26 -1.46 116.66 106.45 2qbf n ARG 28 Ca 0.13 0.38 0.08 0.00 -1.04 0.00 0.00 57.85 57.40 2qbf n ARG 28 Cb 0.51 -0.96 0.50 0.00 -3.04 0.00 0.00 32.46 29.47 2qbf n ARG 28 CO 0.00 0.00 0.00 0.09 -3.04 0.00 0.00 177.63 174.68 2qbf n ASN 29 N -0.84 0.00 -3.32 2.89 3.02 -1.26 -4.79 115.26 110.96 2qbf n ASN 29 Ca 0.00 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.74 2qbf n ASN 29 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2qbf n ASN 29 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qbf n GLY 30 N 0.30 -1.51 3.37 7.41 0.00 -0.54 -4.97 105.19 109.25 2qbf n GLY 30 Ca 0.13 -1.47 -0.38 0.00 0.00 0.00 0.00 46.02 44.30 2qbf n GLY 30 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qbf n ARG 31 N 0.00 0.28 -3.59 1.61 0.63 -1.26 -4.88 116.66 109.45 2qbf n ARG 31 Ca 0.00 0.11 -0.16 0.00 -0.92 0.00 0.00 57.85 56.88 2qbf n ARG 31 Cb 0.00 -1.46 -0.07 0.00 0.45 0.00 0.00 32.46 31.39 2qbf n ARG 31 CO 0.00 0.00 0.00 -0.59 -2.51 0.00 0.00 177.63 174.53 2qbf s PHE 32 N -1.86 -0.66 0.00 -0.14 -0.71 -1.26 -4.74 117.98 108.61 2qbf s PHE 32 Ca 0.63 1.34 0.00 0.00 -1.04 0.00 0.00 56.93 57.85 2qbf s PHE 32 Cb -0.43 0.33 0.00 0.00 -1.21 0.00 0.00 43.02 41.70 2qbf s PHE 32 CO 0.60 -0.49 0.60 -0.89 -1.34 0.00 0.00 175.22 173.70 2qbf n ILE 33 N 1.65 0.00 -3.86 -4.49 5.41 0.49 -4.90 119.36 113.67 2qbf n ILE 33 Ca -0.17 1.07 -0.12 0.00 1.00 0.00 0.00 62.75 64.53 2qbf n ILE 33 Cb 0.56 -2.02 -0.14 0.00 -0.71 0.00 0.00 39.64 37.34 2qbf n ILE 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 2qbf s GLU 34 N -1.53 0.04 -0.11 0.38 -1.05 -0.94 -5.01 118.70 110.48 2qbf s GLU 34 Ca 0.00 0.06 -0.26 0.00 -0.15 0.00 0.00 54.97 54.62 2qbf s GLU 34 Cb 0.00 0.02 -0.02 0.00 -0.44 0.00 0.00 34.13 33.69 2qbf s GLU 34 CO 0.00 -0.01 0.84 0.50 0.95 0.00 0.00 175.26 177.54 2qbf s ARG 35 N 0.04 4.38 -0.23 -4.83 3.00 -1.26 -1.06 118.95 118.99 2qbf s ARG 35 Ca -0.00 1.08 -0.00 0.00 -1.00 0.00 0.00 55.73 55.81 2qbf s ARG 35 Cb -0.00 -3.52 0.06 0.00 0.00 0.00 0.00 34.95 31.49 2qbf s ARG 35 CO -0.00 -0.19 -0.02 0.54 0.00 0.00 0.00 175.30 175.63 2qbf s VAL 36 N 1.64 1.23 0.44 7.11 0.11 -0.85 -4.96 120.40 125.13 2qbf s VAL 36 Ca 0.41 -1.08 0.00 0.00 -2.93 0.00 0.00 61.98 58.38 2qbf s VAL 36 Cb -0.18 -1.60 0.00 0.00 -1.53 0.00 0.00 36.38 33.07 2qbf s VAL 36 CO 0.17 -0.18 0.00 0.61 -3.33 0.00 0.00 175.10 172.37 2qbf n GLY 37 N 4.78 -2.90 3.34 6.54 0.00 -1.25 -4.34 105.19 111.36 2qbf n GLY 37 Ca -0.10 -1.16 -0.19 0.00 0.00 0.00 0.00 46.02 44.57 2qbf n GLY 37 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qbf s PHE 38 N -3.55 1.62 -0.20 1.61 -0.12 -1.23 -2.48 117.98 113.63 2qbf s PHE 38 Ca 0.00 -1.42 -0.10 0.00 -0.05 0.00 0.00 56.93 55.36 2qbf s PHE 38 Cb 0.00 -0.84 0.08 0.00 -0.63 0.00 0.00 43.02 41.62 2qbf s PHE 38 CO 0.00 -0.57 0.47 0.12 -0.05 0.00 0.00 175.22 175.19 2qbf s PHE 39 N -3.57 -0.78 -0.20 3.49 5.36 -1.12 -1.24 117.98 119.92 2qbf s PHE 39 Ca 0.36 1.56 -0.04 0.00 -0.96 0.00 0.00 56.93 57.85 2qbf s PHE 39 Cb 0.04 0.37 -0.01 0.00 -0.34 0.00 0.00 43.02 43.08 2qbf s PHE 39 CO 0.19 -0.43 -0.04 1.21 -1.46 0.00 0.00 175.22 174.68 2qbf s ASN 40 N 1.88 4.39 -0.06 6.13 2.47 -0.71 -2.85 114.94 126.19 2qbf s ASN 40 Ca -0.07 -0.33 0.01 0.00 0.42 0.00 0.00 52.86 52.89 2qbf s ASN 40 Cb -0.09 -1.74 0.12 0.00 -1.45 0.00 0.00 41.25 38.09 2qbf s ASN 40 CO -0.14 0.03 0.95 -0.81 -3.72 0.00 0.00 177.10 173.41 2qbf n PRO 41 N 4.47 1.39 0.00 0.43 -0.04 -1.26 -4.46 135.00 135.53 2qbf n PRO 41 Ca -0.18 -0.49 0.00 0.00 -0.04 0.00 0.00 63.50 62.79 2qbf n PRO 41 Cb 0.51 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 2qbf n PRO 41 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2qbf n ILE 42 N 0.18 0.00 -3.94 0.52 2.08 -1.26 -5.05 119.36 111.88 2qbf n ILE 42 Ca 0.07 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.38 2qbf n ILE 42 Cb 0.56 -0.13 0.00 0.00 -0.75 0.00 0.00 39.64 39.32 2qbf n ILE 42 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2qbf n ALA 43 N -1.79 0.00 0.00 -1.39 0.00 -1.26 -4.84 120.51 111.23 2qbf n ALA 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qbf n ALA 43 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qbf n ALA 43 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2qbf n SER 44 N -3.21 0.00 -2.80 0.00 3.41 -1.26 -4.87 113.62 104.88 2qbf n SER 44 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.41 2qbf n SER 44 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 2qbf n SER 44 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2qbf n GLU 45 N 0.00 -3.36 -2.62 4.33 0.00 -1.26 -4.84 120.64 112.89 2qbf n GLU 45 Ca 0.00 0.83 -0.43 0.00 0.00 0.00 0.00 57.16 57.56 2qbf n GLU 45 Cb 0.00 -5.57 -0.00 0.00 0.00 0.00 0.00 31.44 25.87 2qbf n GLU 45 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 2qbf s LYS 46 N -5.46 3.96 0.80 5.31 -2.85 -1.26 -4.84 119.74 115.40 2qbf s LYS 46 Ca 0.18 -1.99 0.00 0.00 -1.00 0.00 0.00 55.97 53.17 2qbf s LYS 46 Cb -0.09 -5.47 0.00 0.00 -2.06 0.00 0.00 37.83 30.21 2qbf s LYS 46 CO 0.23 -2.20 0.00 0.39 0.10 0.00 0.00 175.35 173.87 2qbf n GLU 47 N 8.14 0.00 0.00 1.78 -0.58 -1.26 -4.42 120.64 124.30 2qbf n GLU 47 Ca 0.46 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.20 2qbf n GLU 47 Cb 0.46 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.33 2qbf n GLU 47 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2qbf n GLU 48 N 0.00 2.31 0.00 3.49 4.07 -1.26 -5.01 120.64 124.25 2qbf n GLU 48 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2qbf n GLU 48 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 2qbf n GLU 48 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2qbf n GLY 49 N 5.00 0.84 3.11 8.31 0.00 -1.26 -4.76 105.19 116.43 2qbf n GLY 49 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.02 2qbf n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qbf s THR 50 N 0.00 -0.94 0.30 2.61 2.01 -1.26 -1.74 115.64 116.61 2qbf s THR 50 Ca 0.00 -0.01 0.05 0.00 0.31 0.00 0.00 61.69 62.03 2qbf s THR 50 Cb 0.00 -0.97 0.05 0.00 0.01 0.00 0.00 72.50 71.58 2qbf s THR 50 CO 0.00 -0.02 0.38 0.54 -0.69 0.00 0.00 174.62 174.83 2qbf n ARG 51 N 5.42 0.84 0.00 4.92 3.00 -0.37 -4.98 116.66 125.49 2qbf n ARG 51 Ca -0.01 -1.63 0.00 0.00 -0.01 0.00 0.00 57.85 56.20 2qbf n ARG 51 Cb 0.51 -0.07 0.00 0.00 0.00 0.00 0.00 32.46 32.90 2qbf n ARG 51 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2qbf n LEU 52 N 0.00 0.00 -3.39 0.55 7.94 -1.26 -3.58 117.00 117.26 2qbf n LEU 52 Ca 0.07 0.00 -0.19 0.00 -1.11 0.00 0.00 56.01 54.78 2qbf n LEU 52 Cb 0.31 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.31 2qbf n LEU 52 CO 0.20 0.00 0.03 -0.67 -1.11 0.00 0.00 177.39 175.84 2qbf n ASP 53 N -0.62 -6.32 -0.39 1.96 2.03 -1.26 -3.81 116.55 108.14 2qbf n ASP 53 Ca 0.00 -0.74 0.31 0.00 0.52 0.00 0.00 54.79 54.88 2qbf n ASP 53 Cb 0.00 -4.50 0.59 0.00 -0.72 0.00 0.00 41.12 36.49 2qbf n ASP 53 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2qbf h LEU 54 N -1.13 0.32 -0.25 -2.67 3.38 -1.98 -1.85 115.31 111.14 2qbf h LEU 54 Ca -0.55 0.11 0.06 0.00 0.09 0.00 0.00 57.88 57.60 2qbf h LEU 54 Cb 1.29 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 42.04 2qbf h LEU 54 CO 0.43 -0.07 -0.34 -0.78 0.09 0.00 0.00 178.44 177.77 2qbf h ASP 55 N 0.21 -1.08 -0.28 -0.43 3.58 -2.01 -0.84 116.42 115.56 2qbf h ASP 55 Ca 0.72 0.17 -0.16 0.00 0.42 0.00 0.00 57.03 58.19 2qbf h ASP 55 Cb 2.12 0.48 -0.00 0.00 1.72 0.00 0.00 39.33 43.65 2qbf h ASP 55 CO -0.37 -0.35 -0.44 0.03 -2.88 0.00 0.00 179.24 175.23 2qbf h ARG 56 N -0.34 0.80 -0.51 0.28 2.47 -1.68 -3.08 114.38 112.31 2qbf h ARG 56 Ca 0.13 -0.48 0.10 0.00 -1.26 0.00 0.00 59.98 58.47 2qbf h ARG 56 Cb 0.55 0.05 -0.10 0.00 -1.65 0.00 0.00 29.97 28.82 2qbf h ARG 56 CO -0.44 1.11 -0.19 0.82 0.56 0.00 0.00 179.97 181.83 2qbf h ILE 57 N 0.56 0.38 0.17 2.04 1.08 -1.11 -2.12 117.51 118.52 2qbf h ILE 57 Ca 0.03 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.50 2qbf h ILE 57 Cb 1.04 0.38 -0.01 0.00 -3.07 0.00 0.00 36.82 35.16 2qbf h ILE 57 CO 0.10 0.00 -0.14 0.00 -0.69 0.00 0.00 178.15 177.42 2qbf h ALA 58 N 1.33 -0.31 -0.97 1.87 0.00 -1.19 -2.60 119.26 117.40 2qbf h ALA 58 Ca 0.24 -0.05 0.16 0.00 0.00 0.00 0.00 54.91 55.27 2qbf h ALA 58 Cb 0.45 0.20 -0.16 0.00 0.00 0.00 0.00 17.79 18.27 2qbf h ALA 58 CO -0.56 -0.69 -0.34 1.58 0.00 0.00 0.00 179.25 179.24 2qbf n HIS 59 N -5.27 0.13 -0.11 0.00 -0.00 -0.81 -0.77 115.22 108.39 2qbf n HIS 59 Ca -0.08 1.19 -0.13 0.00 -0.00 0.00 0.00 57.72 58.70 2qbf n HIS 59 Cb 0.18 -0.92 -0.03 0.00 -0.00 0.00 0.00 29.99 29.22 2qbf n HIS 59 CO 0.00 0.00 0.00 -1.49 -0.00 0.00 0.00 176.34 174.85 2qbf h TRP 60 N 0.00 0.96 -0.89 1.57 4.06 -1.44 -3.20 115.95 117.01 2qbf h TRP 60 Ca 0.38 -0.28 0.06 0.00 2.06 0.00 0.00 58.89 61.10 2qbf h TRP 60 Cb 0.62 -0.20 -0.06 0.00 -1.00 0.00 0.00 29.16 28.51 2qbf h TRP 60 CO -0.82 1.06 0.56 0.28 -3.56 0.00 0.00 178.44 175.96 2qbf h VAL 61 N 0.58 1.07 0.00 1.49 2.07 -0.55 0.61 116.25 121.52 2qbf h VAL 61 Ca 0.06 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.22 2qbf h VAL 61 Cb 0.89 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2qbf h VAL 61 CO 0.08 0.19 0.00 0.61 0.02 0.00 0.00 177.57 178.47 2qbf n GLY 62 N -1.34 -0.83 0.00 2.17 0.00 -0.19 -2.59 105.19 102.42 2qbf n GLY 62 Ca 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2qbf n GLY 62 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2qbf n GLN 63 N -0.67 -0.25 0.00 1.61 6.02 0.10 -4.98 117.38 119.21 2qbf n GLN 63 Ca 0.07 -0.69 0.00 0.00 -0.01 0.00 0.00 57.00 56.37 2qbf n GLN 63 Cb 0.03 -1.00 0.00 0.00 1.02 0.00 0.00 30.24 30.29 2qbf n GLN 63 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qbf n GLY 64 N -0.09 1.31 3.58 1.08 0.00 -1.03 -5.08 105.19 104.95 2qbf n GLY 64 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2qbf n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbf n ALA 65 N 0.00 -0.40 -3.75 4.61 0.00 -0.55 -4.75 120.51 115.67 2qbf n ALA 65 Ca 0.00 -0.13 -0.30 0.00 0.00 0.00 0.00 53.44 53.01 2qbf n ALA 65 Cb 0.00 -2.05 -0.15 0.00 0.00 0.00 0.00 19.45 17.26 2qbf n ALA 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2qbf s THR 66 N -1.73 1.05 0.27 0.00 2.01 -0.99 -4.65 115.64 111.60 2qbf s THR 66 Ca 0.73 -1.64 -0.30 0.00 0.31 0.00 0.00 61.69 60.78 2qbf s THR 66 Cb -0.37 -1.78 -0.13 0.00 0.01 0.00 0.00 72.50 70.23 2qbf s THR 66 CO 0.51 -0.71 1.42 0.00 -0.69 0.00 0.00 174.62 175.15 2qbf n ILE 67 N 4.60 1.21 -1.83 1.82 0.13 -1.26 -2.55 119.36 121.49 2qbf n ILE 67 Ca 0.00 -0.30 -0.29 0.00 -1.10 0.00 0.00 62.75 61.05 2qbf n ILE 67 Cb 0.41 -1.59 0.16 0.00 -0.84 0.00 0.00 39.64 37.77 2qbf n ILE 67 CO 0.00 0.00 0.00 -0.94 2.80 0.00 0.00 176.55 178.41 2qbf s SER 68 N 0.19 3.41 0.04 9.51 1.04 -0.75 -4.83 113.70 122.32 2qbf s SER 68 Ca 0.64 0.51 -0.32 0.00 0.48 0.00 0.00 55.95 57.27 2qbf s SER 68 Cb -0.60 -0.75 -0.18 0.00 0.10 0.00 0.00 66.02 64.59 2qbf s SER 68 CO 0.52 -2.57 1.38 0.44 0.98 0.00 0.00 173.24 174.00 2qbf h ASP 69 N -1.52 -0.88 0.01 7.02 5.19 -1.93 -0.85 116.42 123.45 2qbf h ASP 69 Ca -0.45 0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 55.97 2qbf h ASP 69 Cb 1.28 0.23 0.00 0.00 0.18 0.00 0.00 39.33 41.01 2qbf h ASP 69 CO 0.48 -0.55 -0.00 -0.09 -3.12 0.00 0.00 179.24 175.96 2qbf h ARG 70 N -1.17 -0.01 -0.89 3.56 9.65 -1.97 -2.35 114.38 121.20 2qbf h ARG 70 Ca -0.11 0.00 0.04 0.00 -1.10 0.00 0.00 59.98 58.82 2qbf h ARG 70 Cb 0.81 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 29.34 2qbf h ARG 70 CO 0.17 0.14 0.57 -0.24 2.80 0.00 0.00 179.97 183.41 2qbf h VAL 71 N -0.16 1.11 -0.54 0.20 3.04 -1.89 -1.86 116.25 116.15 2qbf h VAL 71 Ca -0.00 -0.37 0.05 0.00 -1.01 0.00 0.00 66.70 65.37 2qbf h VAL 71 Cb 0.16 -0.06 -0.05 0.00 -2.01 0.00 0.00 31.29 29.33 2qbf h VAL 71 CO 0.00 0.20 0.27 0.00 -1.01 0.00 0.00 177.57 177.03 2qbf h ALA 72 N 1.38 0.70 -0.94 3.17 0.00 -0.98 -1.26 119.26 121.33 2qbf h ALA 72 Ca 0.37 0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.41 2qbf h ALA 72 Cb 0.06 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 2qbf h ALA 72 CO -0.14 -0.08 0.57 0.00 0.00 0.00 0.00 179.25 179.61 2qbf h ALA 73 N 1.30 1.39 -0.64 0.00 0.00 -0.80 -1.27 119.26 119.25 2qbf h ALA 73 Ca 0.24 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.24 2qbf h ALA 73 Cb 0.16 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 2qbf h ALA 73 CO -0.17 0.18 0.33 -0.07 0.00 0.00 0.00 179.25 179.52 2qbf h LEU 74 N 0.92 0.47 -1.91 0.00 3.38 -0.90 -0.26 115.31 117.01 2qbf h LEU 74 Ca 0.46 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.49 2qbf h LEU 74 Cb 0.44 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2qbf h LEU 74 CO -0.26 0.30 0.11 0.40 0.09 0.00 0.00 178.44 179.08 2qbf h ILE 75 N 0.61 0.99 0.10 1.22 2.04 -0.99 -2.91 117.51 118.57 2qbf h ILE 75 Ca 0.29 -0.04 -0.23 0.00 1.00 0.00 0.00 64.86 65.88 2qbf h ILE 75 Cb 0.22 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2qbf h ILE 75 CO -0.20 0.02 -1.14 0.11 0.00 0.00 0.00 178.15 176.94 2qbf h LYS 76 N 0.12 0.21 -1.09 2.37 1.79 -1.10 -3.33 116.57 115.55 2qbf h LYS 76 Ca 0.07 -0.36 0.30 0.00 -2.18 0.00 0.00 60.65 58.48 2qbf h LYS 76 Cb 0.11 0.13 -0.09 0.00 -1.58 0.00 0.00 32.23 30.81 2qbf h LYS 76 CO -0.01 1.17 0.71 0.93 -1.08 0.00 0.00 179.45 181.17 2qbf h GLU 77 N -0.45 0.29 -4.51 3.15 5.08 -0.93 -3.21 114.58 114.00 2qbf h GLU 77 Ca -0.25 -0.02 -0.72 0.00 -1.00 0.00 0.00 59.36 57.38 2qbf h GLU 77 Cb 1.62 -0.07 -0.21 0.00 0.50 0.00 0.00 28.75 30.59 2qbf h GLU 77 CO 0.05 0.19 -0.01 0.54 -1.00 0.00 0.00 179.01 178.78 2qbf s VAL 78 N -5.39 4.96 -0.10 3.13 0.11 -1.11 -5.01 120.40 116.99 2qbf s VAL 78 Ca -0.08 -1.11 -0.30 0.00 -2.93 0.00 0.00 61.98 57.55 2qbf s VAL 78 Cb 0.25 -4.41 -0.14 0.00 -1.53 0.00 0.00 36.38 30.55 2qbf s VAL 78 CO 0.80 -1.00 0.88 -0.46 -3.33 0.00 0.00 175.10 171.99 2qbf n ASN 79 N 5.93 0.23 -0.58 3.54 6.94 -1.21 -4.88 115.26 125.23 2qbf n ASN 79 Ca -0.11 0.85 0.07 0.00 -0.02 0.00 0.00 54.58 55.37 2qbf n ASN 79 Cb 0.42 -0.66 0.06 0.00 -2.36 0.00 0.00 39.78 37.24 2qbf n ASN 79 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52