#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbh s VAL 2 N 0.00 3.97 0.37 1.12 0.11 -1.26 -0.71 120.40 124.01 2qbh s VAL 2 Ca 0.00 1.04 0.01 0.00 -2.93 0.00 0.00 61.98 60.10 2qbh s VAL 2 Cb 0.00 -4.13 -0.00 0.00 -1.53 0.00 0.00 36.38 30.72 2qbh s VAL 2 CO 0.00 -0.60 0.03 0.35 -3.33 0.00 0.00 175.10 171.55 2qbh n THR 3 N 6.68 0.00 -3.91 5.04 -2.24 0.08 -1.60 114.28 118.33 2qbh n THR 3 Ca 0.16 -1.86 -0.29 0.00 -2.27 0.00 0.00 64.05 59.79 2qbh n THR 3 Cb 0.47 0.45 -0.16 0.00 -2.10 0.00 0.00 70.33 68.99 2qbh n THR 3 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2qbh s ILE 4 N -2.50 1.31 0.39 2.28 1.01 -1.07 -1.25 121.20 121.37 2qbh s ILE 4 Ca 0.04 -0.98 0.04 0.00 0.00 0.00 0.00 60.65 59.75 2qbh s ILE 4 Cb 0.00 -1.57 -0.03 0.00 0.01 0.00 0.00 42.46 40.87 2qbh s ILE 4 CO 0.03 -0.04 0.15 0.00 0.00 0.00 0.00 174.94 175.07 2qbh s ARG 5 N 1.51 1.88 0.07 2.79 3.03 -1.12 -1.82 118.95 125.30 2qbh s ARG 5 Ca -0.03 -2.14 -0.04 0.00 2.03 0.00 0.00 55.73 55.55 2qbh s ARG 5 Cb -0.18 -0.48 -0.05 0.00 -1.03 0.00 0.00 34.95 33.21 2qbh s ARG 5 CO -0.07 -0.49 0.29 -0.51 -1.13 0.00 0.00 175.30 173.39 2qbh s LEU 6 N -3.56 4.33 -0.16 -1.89 1.02 -1.26 -1.95 118.68 115.21 2qbh s LEU 6 Ca 0.27 0.48 0.01 0.00 0.02 0.00 0.00 54.13 54.91 2qbh s LEU 6 Cb 0.03 -3.00 0.02 0.00 0.02 0.00 0.00 46.19 43.26 2qbh s LEU 6 CO 0.16 0.15 -0.20 0.00 0.02 0.00 0.00 176.35 176.49 2qbh s ALA 7 N -1.50 2.21 -0.47 4.21 0.00 0.77 -4.77 121.76 122.22 2qbh s ALA 7 Ca 0.35 -1.12 -0.28 0.00 0.00 0.00 0.00 51.96 50.91 2qbh s ALA 7 Cb -0.13 -1.09 -0.01 0.00 0.00 0.00 0.00 23.12 21.90 2qbh s ALA 7 CO 0.23 -0.24 1.66 0.50 0.00 0.00 0.00 175.76 177.90 2qbh s ARG 8 N 1.16 3.20 -0.18 0.00 3.52 -1.26 -0.35 118.95 125.03 2qbh s ARG 8 Ca 0.01 0.92 0.13 0.00 -0.13 0.00 0.00 55.73 56.66 2qbh s ARG 8 Cb -0.14 -4.20 0.39 0.00 -1.56 0.00 0.00 34.95 29.45 2qbh s ARG 8 CO -0.09 -2.04 1.20 0.72 -0.81 0.00 0.00 175.30 174.29 2qbh n HIS 9 N 10.47 0.00 -3.94 5.12 8.25 -1.07 -4.92 115.22 129.13 2qbh n HIS 9 Ca 0.19 -1.34 -0.22 0.00 -0.26 0.00 0.00 57.72 56.09 2qbh n HIS 9 Cb 0.49 -0.23 -0.04 0.00 1.12 0.00 0.00 29.99 31.33 2qbh n HIS 9 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2qbh s GLY 10 N -3.08 1.72 0.98 -1.41 0.00 -1.26 -4.61 107.32 99.67 2qbh s GLY 10 Ca 0.36 -1.63 -0.12 0.00 0.00 0.00 0.00 44.72 43.33 2qbh s GLY 10 CO -0.06 -1.59 1.08 0.00 0.00 0.00 0.00 173.10 172.54 2qbh s ALA 11 N -2.29 0.97 0.26 3.20 0.00 0.34 -4.60 121.76 119.65 2qbh s ALA 11 Ca 0.38 -0.06 -0.30 0.00 0.00 0.00 0.00 51.96 51.98 2qbh s ALA 11 Cb -0.06 -3.22 -0.14 0.00 0.00 0.00 0.00 23.12 19.71 2qbh s ALA 11 CO 0.25 -2.83 1.21 1.17 0.00 0.00 0.00 175.76 175.57 2qbh n LYS 12 N -4.21 1.68 0.00 0.00 4.81 -1.26 -0.67 118.16 118.51 2qbh n LYS 12 Ca 0.06 0.59 0.00 0.00 -0.87 0.00 0.00 58.31 58.09 2qbh n LYS 12 Cb 0.55 -2.11 0.00 0.00 0.02 0.00 0.00 35.03 33.49 2qbh n LYS 12 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2qbh n LYS 13 N 1.25 0.00 -3.65 1.64 5.02 -1.26 -4.75 118.16 116.40 2qbh n LYS 13 Ca 0.10 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.10 2qbh n LYS 13 Cb 0.31 -2.56 -0.09 0.00 -0.02 0.00 0.00 35.03 32.67 2qbh n LYS 13 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qbh n ARG 14 N -1.13 2.30 -1.35 1.97 1.74 0.16 -5.09 116.66 115.25 2qbh n ARG 14 Ca 0.00 -4.57 -0.29 0.00 -0.77 0.00 0.00 57.85 52.22 2qbh n ARG 14 Cb 0.00 -2.30 0.15 0.00 -1.02 0.00 0.00 32.46 29.29 2qbh n ARG 14 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2qbh s PRO 15 N -1.92 1.01 -0.50 5.56 0.04 -1.18 -0.50 135.00 137.51 2qbh s PRO 15 Ca 0.31 0.50 0.07 0.00 0.04 0.00 0.00 61.00 61.92 2qbh s PRO 15 Cb 0.03 -1.81 0.21 0.00 0.04 0.00 0.00 34.50 32.97 2qbh s PRO 15 CO -0.09 -2.33 0.74 0.34 0.04 0.00 0.00 177.00 175.69 2qbh n PHE 16 N -3.89 -3.33 -1.60 0.56 -0.00 -1.26 -4.64 117.46 103.29 2qbh n PHE 16 Ca 0.06 -1.72 -0.37 0.00 -0.00 0.00 0.00 57.45 55.42 2qbh n PHE 16 Cb 0.57 1.34 0.07 0.00 -0.00 0.00 0.00 39.48 41.47 2qbh n PHE 16 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 2qbh n TYR 17 N 2.49 1.23 -3.96 -5.13 4.02 -1.23 -2.60 117.16 111.98 2qbh n TYR 17 Ca 0.16 0.42 -0.21 0.00 -0.01 0.00 0.00 57.90 58.26 2qbh n TYR 17 Cb 0.57 -2.18 -0.17 0.00 -0.02 0.00 0.00 39.34 37.55 2qbh n TYR 17 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 2qbh s GLN 18 N -3.15 0.70 0.26 -0.72 0.74 0.53 -2.51 119.66 115.52 2qbh s GLN 18 Ca 0.79 0.00 -0.30 0.00 0.05 0.00 0.00 55.36 55.90 2qbh s GLN 18 Cb -0.38 -0.89 -0.09 0.00 1.10 0.00 0.00 33.01 32.75 2qbh s GLN 18 CO 0.45 -0.19 1.08 0.08 -0.55 0.00 0.00 175.29 176.16 2qbh s VAL 19 N 1.41 3.61 -0.26 1.34 1.01 -1.05 -0.16 120.40 126.29 2qbh s VAL 19 Ca -0.03 1.58 -0.25 0.00 0.00 0.00 0.00 61.98 63.27 2qbh s VAL 19 Cb -0.13 -4.01 0.11 0.00 0.00 0.00 0.00 36.38 32.35 2qbh s VAL 19 CO -0.03 0.36 0.94 0.54 0.00 0.00 0.00 175.10 176.91 2qbh s VAL 20 N -1.02 0.00 -0.19 2.92 0.11 -0.82 -2.90 120.40 118.50 2qbh s VAL 20 Ca 0.45 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 59.25 2qbh s VAL 20 Cb -0.31 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.53 2qbh s VAL 20 CO 0.39 0.00 0.80 -0.69 -3.33 0.00 0.00 175.10 172.27 2qbh s VAL 21 N 0.14 4.89 0.28 2.04 1.01 -0.35 -2.81 120.40 125.62 2qbh s VAL 21 Ca 0.02 1.54 -0.14 0.00 0.00 0.00 0.00 61.98 63.40 2qbh s VAL 21 Cb -0.05 -4.10 0.01 0.00 0.00 0.00 0.00 36.38 32.24 2qbh s VAL 21 CO -0.03 0.02 0.57 0.00 0.00 0.00 0.00 175.10 175.65 2qbh s ALA 22 N 2.26 -0.38 0.05 5.51 0.00 -0.38 -0.80 121.76 128.03 2qbh s ALA 22 Ca 0.36 -0.83 -0.30 0.00 0.00 0.00 0.00 51.96 51.19 2qbh s ALA 22 Cb -0.16 0.99 -0.05 0.00 0.00 0.00 0.00 23.12 23.90 2qbh s ALA 22 CO 0.11 -0.90 1.07 0.34 0.00 0.00 0.00 175.76 176.38 2qbh s ASP 23 N -3.03 7.26 0.18 0.00 -1.08 -1.26 -0.74 116.67 117.99 2qbh s ASP 23 Ca 0.20 1.84 -0.19 0.00 -0.52 0.00 0.00 52.55 53.89 2qbh s ASP 23 Cb -0.02 -2.58 0.12 0.00 -1.46 0.00 0.00 42.92 38.98 2qbh s ASP 23 CO 0.10 -0.32 1.62 0.77 0.52 0.00 0.00 175.17 177.87 2qbh h SER 24 N 6.53 -0.76 -0.28 -0.34 4.64 -1.26 0.40 113.55 122.48 2qbh h SER 24 Ca -0.42 0.17 0.08 0.00 -0.47 0.00 0.00 61.79 61.15 2qbh h SER 24 Cb 1.22 0.41 -0.01 0.00 -0.31 0.00 0.00 62.40 63.70 2qbh h SER 24 CO 0.77 -0.25 0.28 0.03 -0.87 0.00 0.00 176.83 176.80 2qbh h ARG 25 N -0.13 0.00 -6.92 4.77 -0.00 -1.93 -3.42 114.38 106.75 2qbh h ARG 25 Ca 0.21 0.00 -0.53 0.00 -0.50 0.00 0.00 59.98 59.16 2qbh h ARG 25 Cb 0.46 0.00 0.09 0.00 0.00 0.00 0.00 29.97 30.52 2qbh h ARG 25 CO -0.53 0.00 0.73 -0.80 0.00 0.00 0.00 179.97 179.37 2qbh s ASN 26 N -5.71 6.48 0.84 7.04 0.02 0.13 -4.95 114.94 118.79 2qbh s ASN 26 Ca -0.05 2.93 -0.14 0.00 -1.02 0.00 0.00 52.86 54.59 2qbh s ASN 26 Cb 0.16 -2.66 0.03 0.00 0.02 0.00 0.00 41.25 38.80 2qbh s ASN 26 CO 0.57 -0.76 0.70 0.00 0.02 0.00 0.00 177.10 177.62 2qbh n ALA 27 N 0.58 -1.46 -1.00 0.60 0.00 -1.26 -4.89 120.51 113.07 2qbh n ALA 27 Ca 0.01 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.03 2qbh n ALA 27 Cb 0.40 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.89 2qbh n ALA 27 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2qbh n ARG 28 N -1.96 0.00 0.00 0.00 -4.01 -1.26 -1.96 116.66 107.47 2qbh n ARG 28 Ca 0.10 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.91 2qbh n ARG 28 Cb 0.51 -0.40 0.00 0.00 -3.04 0.00 0.00 32.46 29.53 2qbh n ARG 28 CO 0.00 0.00 0.00 0.09 -3.04 0.00 0.00 177.63 174.68 2qbh n ASN 29 N 0.00 1.17 -0.80 2.89 3.02 -1.26 -4.74 115.26 115.54 2qbh n ASN 29 Ca 0.00 -1.27 0.00 0.00 -0.03 0.00 0.00 54.58 53.28 2qbh n ASN 29 Cb 0.00 -0.32 0.00 0.00 -0.61 0.00 0.00 39.78 38.85 2qbh n ASN 29 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qbh n GLY 30 N 0.39 1.46 3.48 7.41 0.00 -0.83 -5.01 105.19 112.09 2qbh n GLY 30 Ca 0.00 -1.85 -0.53 0.00 0.00 0.00 0.00 46.02 43.65 2qbh n GLY 30 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qbh n ARG 31 N 0.00 0.25 -3.73 1.61 0.63 -1.26 -4.92 116.66 109.23 2qbh n ARG 31 Ca 0.00 0.09 -0.13 0.00 -0.92 0.00 0.00 57.85 56.89 2qbh n ARG 31 Cb 0.00 -1.39 -0.14 0.00 0.45 0.00 0.00 32.46 31.38 2qbh n ARG 31 CO 0.00 0.00 0.00 -0.59 -2.51 0.00 0.00 177.63 174.53 2qbh s PHE 32 N -0.44 -0.26 0.00 -0.14 -0.71 -1.26 -4.63 117.98 110.54 2qbh s PHE 32 Ca 0.77 0.66 0.00 0.00 -1.04 0.00 0.00 56.93 57.32 2qbh s PHE 32 Cb -1.05 -0.01 0.00 0.00 -1.21 0.00 0.00 43.02 40.75 2qbh s PHE 32 CO 0.56 -0.21 0.72 -0.89 -1.34 0.00 0.00 175.22 174.06 2qbh n ILE 33 N 4.26 0.00 -3.94 -4.49 5.41 0.02 -4.78 119.36 115.85 2qbh n ILE 33 Ca -0.25 1.22 -0.12 0.00 1.00 0.00 0.00 62.75 64.60 2qbh n ILE 33 Cb 0.52 -1.91 -0.13 0.00 -0.71 0.00 0.00 39.64 37.41 2qbh n ILE 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 2qbh s GLU 34 N -1.88 0.13 0.05 0.38 -1.05 -0.87 -5.03 118.70 110.43 2qbh s GLU 34 Ca 0.00 -0.16 -0.25 0.00 -0.15 0.00 0.00 54.97 54.41 2qbh s GLU 34 Cb 0.00 -0.05 -0.05 0.00 -0.44 0.00 0.00 34.13 33.58 2qbh s GLU 34 CO 0.00 0.01 0.77 0.50 0.95 0.00 0.00 175.26 177.49 2qbh s ARG 35 N -0.32 4.50 -0.19 -4.83 3.00 -1.26 -1.21 118.95 118.65 2qbh s ARG 35 Ca -0.03 1.08 -0.04 0.00 -1.00 0.00 0.00 55.73 55.74 2qbh s ARG 35 Cb -0.02 -3.36 0.09 0.00 0.00 0.00 0.00 34.95 31.65 2qbh s ARG 35 CO -0.00 0.28 0.20 0.54 0.00 0.00 0.00 175.30 176.33 2qbh s VAL 36 N -0.07 -0.30 0.46 7.11 0.11 -1.14 -4.93 120.40 121.64 2qbh s VAL 36 Ca 0.39 -0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.37 2qbh s VAL 36 Cb -0.21 -0.63 0.00 0.00 -1.53 0.00 0.00 36.38 34.01 2qbh s VAL 36 CO 0.23 -0.18 0.00 0.61 -3.33 0.00 0.00 175.10 172.44 2qbh n GLY 37 N 5.32 -3.24 0.20 6.54 0.00 -1.26 -4.20 105.19 108.55 2qbh n GLY 37 Ca -0.06 -1.14 -0.02 0.00 0.00 0.00 0.00 46.02 44.81 2qbh n GLY 37 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2qbh n PHE 38 N -3.63 0.01 -3.49 1.61 1.16 -1.26 -2.54 117.46 109.32 2qbh n PHE 38 Ca -0.07 -0.16 -0.15 0.00 -1.87 0.00 0.00 57.45 55.20 2qbh n PHE 38 Cb 0.49 -0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.32 2qbh n PHE 38 CO 0.00 0.00 0.00 0.12 -1.87 0.00 0.00 176.76 175.01 2qbh s PHE 39 N -1.62 -0.59 -0.15 2.97 5.36 -1.04 -1.56 117.98 121.34 2qbh s PHE 39 Ca 0.01 0.77 -0.04 0.00 -0.96 0.00 0.00 56.93 56.71 2qbh s PHE 39 Cb 0.00 0.46 0.05 0.00 -0.34 0.00 0.00 43.02 43.19 2qbh s PHE 39 CO 0.01 -0.70 0.06 1.21 -1.46 0.00 0.00 175.22 174.34 2qbh s ASN 40 N -1.84 2.27 0.00 6.13 3.84 0.15 -3.55 114.94 121.93 2qbh s ASN 40 Ca -0.06 -0.53 0.07 0.00 0.21 0.00 0.00 52.86 52.56 2qbh s ASN 40 Cb -0.00 -0.35 0.32 0.00 -0.55 0.00 0.00 41.25 40.67 2qbh s ASN 40 CO 0.00 -0.31 1.23 -0.81 -2.79 0.00 0.00 177.10 174.42 2qbh n PRO 41 N 5.20 1.27 0.01 0.43 -0.04 -1.26 -4.43 135.00 136.18 2qbh n PRO 41 Ca -0.07 -0.42 0.00 0.00 -0.04 0.00 0.00 63.50 62.97 2qbh n PRO 41 Cb 0.49 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 2qbh n PRO 41 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2qbh n ILE 42 N -0.21 0.09 -2.57 0.52 2.08 -1.26 -5.07 119.36 112.93 2qbh n ILE 42 Ca 0.07 0.03 0.00 0.00 0.56 0.00 0.00 62.75 63.40 2qbh n ILE 42 Cb 0.11 -0.60 0.00 0.00 -0.75 0.00 0.00 39.64 38.41 2qbh n ILE 42 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2qbh n ALA 43 N -2.63 0.00 0.00 -1.39 0.00 -1.26 -4.74 120.51 110.49 2qbh n ALA 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qbh n ALA 43 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qbh n ALA 43 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2qbh n SER 44 N -2.06 0.00 -2.37 0.00 3.41 -1.26 -4.85 113.62 106.49 2qbh n SER 44 Ca 0.00 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.42 2qbh n SER 44 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 2qbh n SER 44 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2qbh n GLU 45 N 0.00 -1.81 -0.40 4.33 0.00 -1.26 -4.77 120.64 116.73 2qbh n GLU 45 Ca 0.00 0.91 -0.10 0.00 0.00 0.00 0.00 57.16 57.98 2qbh n GLU 45 Cb 0.00 -5.55 -0.03 0.00 0.00 0.00 0.00 31.44 25.86 2qbh n GLU 45 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 2qbh n LYS 46 N -2.93 1.02 0.00 5.31 2.85 -1.26 -4.64 118.16 118.50 2qbh n LYS 46 Ca -0.22 -0.78 0.00 0.00 -1.05 0.00 0.00 58.31 56.26 2qbh n LYS 46 Cb 0.67 -2.03 0.00 0.00 -0.65 0.00 0.00 35.03 33.01 2qbh n LYS 46 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2qbh n GLU 47 N 3.86 0.00 0.00 -1.58 -0.58 -1.26 -4.70 120.64 116.38 2qbh n GLU 47 Ca 0.22 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.96 2qbh n GLU 47 Cb 0.17 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.04 2qbh n GLU 47 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2qbh n GLU 48 N 0.00 3.38 0.00 3.49 4.07 -1.26 -5.04 120.64 125.28 2qbh n GLU 48 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2qbh n GLU 48 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 2qbh n GLU 48 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2qbh n GLY 49 N 5.00 0.21 3.60 8.31 0.00 -1.26 -4.63 105.19 116.42 2qbh n GLY 49 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2qbh n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qbh s THR 50 N 0.00 -0.44 0.16 2.61 2.01 -1.26 -0.68 115.64 118.04 2qbh s THR 50 Ca 0.00 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.01 2qbh s THR 50 Cb 0.00 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.52 2qbh s THR 50 CO 0.00 0.00 0.12 0.54 -0.69 0.00 0.00 174.62 174.59 2qbh n ARG 51 N 4.74 1.25 0.00 4.92 3.00 -0.60 -4.98 116.66 124.98 2qbh n ARG 51 Ca -0.15 -1.03 0.00 0.00 -0.01 0.00 0.00 57.85 56.66 2qbh n ARG 51 Cb 0.54 0.11 0.00 0.00 0.00 0.00 0.00 32.46 33.11 2qbh n ARG 51 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2qbh n LEU 52 N 0.00 0.00 -3.90 0.55 7.94 -1.26 -4.14 117.00 116.19 2qbh n LEU 52 Ca -0.01 0.00 -0.28 0.00 -1.11 0.00 0.00 56.01 54.62 2qbh n LEU 52 Cb 0.19 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.15 2qbh n LEU 52 CO 0.11 0.00 -0.02 -0.67 -1.11 0.00 0.00 177.39 175.70 2qbh n ASP 53 N -0.49 -2.80 -0.16 1.96 4.64 -1.26 -4.17 116.55 114.28 2qbh n ASP 53 Ca 0.00 -0.86 0.04 0.00 -1.38 0.00 0.00 54.79 52.60 2qbh n ASP 53 Cb 0.00 -3.66 0.09 0.00 -1.04 0.00 0.00 41.12 36.52 2qbh n ASP 53 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 2qbh n LEU 54 N -4.48 -0.11 -0.29 -2.67 4.77 -1.26 -0.91 117.00 112.04 2qbh n LEU 54 Ca -0.11 0.76 -0.11 0.00 -0.03 0.00 0.00 56.01 56.52 2qbh n LEU 54 Cb 0.59 -0.25 -0.09 0.00 -2.33 0.00 0.00 43.42 41.34 2qbh n LEU 54 CO 0.75 -0.75 0.49 -0.78 -1.33 0.00 0.00 177.39 175.77 2qbh h ASP 55 N 0.00 -1.84 -0.40 -1.43 3.58 -2.00 0.22 116.42 114.55 2qbh h ASP 55 Ca 0.24 0.27 -0.04 0.00 0.42 0.00 0.00 57.03 57.91 2qbh h ASP 55 Cb 0.42 0.80 -0.02 0.00 1.72 0.00 0.00 39.33 42.25 2qbh h ASP 55 CO -0.44 -0.25 0.12 0.03 -2.88 0.00 0.00 179.24 175.82 2qbh h ARG 56 N -0.11 0.70 -0.26 0.28 2.47 -1.36 -2.89 114.38 113.20 2qbh h ARG 56 Ca 0.12 -0.13 0.06 0.00 -1.26 0.00 0.00 59.98 58.77 2qbh h ARG 56 Cb 0.41 -0.11 -0.06 0.00 -1.65 0.00 0.00 29.97 28.56 2qbh h ARG 56 CO -0.74 0.63 -0.16 0.82 0.56 0.00 0.00 179.97 181.08 2qbh h ILE 57 N 0.68 0.54 -0.01 2.04 1.08 -0.48 -2.70 117.51 118.65 2qbh h ILE 57 Ca 0.15 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.66 2qbh h ILE 57 Cb 0.25 0.54 -0.04 0.00 -3.07 0.00 0.00 36.82 34.49 2qbh h ILE 57 CO -0.00 0.00 -0.23 0.00 -0.69 0.00 0.00 178.15 177.23 2qbh h ALA 58 N 1.04 -0.29 -0.52 1.87 0.00 -0.86 -2.81 119.26 117.70 2qbh h ALA 58 Ca 0.14 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.10 2qbh h ALA 58 Cb 0.35 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 2qbh h ALA 58 CO -0.35 -0.73 -0.30 1.58 0.00 0.00 0.00 179.25 179.45 2qbh n HIS 59 N -5.36 -0.23 -0.08 0.00 -0.00 -1.02 -0.87 115.22 107.67 2qbh n HIS 59 Ca -0.05 0.65 -0.10 0.00 -0.00 0.00 0.00 57.72 58.22 2qbh n HIS 59 Cb 0.27 -0.50 -0.03 0.00 -0.00 0.00 0.00 29.99 29.73 2qbh n HIS 59 CO 0.00 0.00 0.00 -1.49 -0.00 0.00 0.00 176.34 174.85 2qbh h TRP 60 N 0.00 0.36 -0.40 1.57 4.06 -1.56 -2.95 115.95 117.03 2qbh h TRP 60 Ca 0.08 -0.01 0.08 0.00 2.06 0.00 0.00 58.89 61.11 2qbh h TRP 60 Cb 0.21 -0.12 -0.09 0.00 -1.00 0.00 0.00 29.16 28.16 2qbh h TRP 60 CO -0.74 0.30 -0.28 0.28 -3.56 0.00 0.00 178.44 174.44 2qbh h VAL 61 N 0.32 0.28 0.00 1.49 2.07 -0.74 0.43 116.25 120.11 2qbh h VAL 61 Ca 0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.61 2qbh h VAL 61 Cb 0.05 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 2qbh h VAL 61 CO -0.02 0.00 0.00 1.23 0.02 0.00 0.00 177.57 178.80 2qbh h GLY 62 N -0.21 0.00 -0.56 2.17 0.00 -1.15 -0.39 103.07 102.93 2qbh h GLY 62 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 2qbh h GLY 62 CO -0.53 0.00 -0.11 -1.06 0.00 0.00 0.00 176.54 174.84 2qbh n GLN 63 N -2.78 1.51 0.00 4.80 6.02 0.13 -4.90 117.38 122.16 2qbh n GLN 63 Ca -0.01 -1.00 0.00 0.00 -0.01 0.00 0.00 57.00 55.98 2qbh n GLN 63 Cb 0.12 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.90 2qbh n GLN 63 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qbh n GLY 64 N 1.27 0.90 3.74 1.08 0.00 -0.17 -5.07 105.19 106.95 2qbh n GLY 64 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2qbh n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbh s ALA 65 N -1.87 3.70 -0.57 4.61 0.00 -0.13 -4.77 121.76 122.73 2qbh s ALA 65 Ca 0.00 1.45 -0.10 0.00 0.00 0.00 0.00 51.96 53.31 2qbh s ALA 65 Cb 0.00 -3.61 0.15 0.00 0.00 0.00 0.00 23.12 19.66 2qbh s ALA 65 CO 0.00 -0.86 0.46 0.99 0.00 0.00 0.00 175.76 176.35 2qbh s THR 66 N 0.13 4.50 0.17 0.00 2.01 -0.63 -4.47 115.64 117.35 2qbh s THR 66 Ca 0.62 -2.09 -0.32 0.00 0.31 0.00 0.00 61.69 60.21 2qbh s THR 66 Cb -0.45 -3.91 -0.12 0.00 0.01 0.00 0.00 72.50 68.03 2qbh s THR 66 CO 0.44 -0.85 1.75 0.00 -0.69 0.00 0.00 174.62 175.27 2qbh n ILE 67 N 4.52 0.12 -1.08 1.82 0.13 -1.26 -2.60 119.36 121.01 2qbh n ILE 67 Ca -0.02 -0.02 -0.30 0.00 -1.10 0.00 0.00 62.75 61.32 2qbh n ILE 67 Cb 0.41 -1.99 0.22 0.00 -0.84 0.00 0.00 39.64 37.45 2qbh n ILE 67 CO 0.00 0.00 0.00 -0.94 2.80 0.00 0.00 176.55 178.41 2qbh s SER 68 N 1.68 1.31 0.00 9.51 1.04 -0.75 -4.82 113.70 121.67 2qbh s SER 68 Ca 0.78 0.80 0.00 0.00 0.48 0.00 0.00 55.95 58.00 2qbh s SER 68 Cb -0.52 -1.17 0.00 0.00 0.10 0.00 0.00 66.02 64.43 2qbh s SER 68 CO 0.35 -3.90 0.53 0.47 0.98 0.00 0.00 173.24 171.66 2qbh n ASP 69 N -4.63 0.00 -0.29 7.02 8.00 -1.26 -1.74 116.55 123.64 2qbh n ASP 69 Ca 0.11 0.61 0.02 0.00 0.71 0.00 0.00 54.79 56.24 2qbh n ASP 69 Cb 0.59 -0.27 0.09 0.00 -0.02 0.00 0.00 41.12 41.51 2qbh n ASP 69 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 2qbh h ARG 70 N 0.00 -0.01 -0.47 -1.24 9.65 -1.96 0.12 114.38 120.47 2qbh h ARG 70 Ca 0.00 0.00 0.02 0.00 -1.10 0.00 0.00 59.98 58.90 2qbh h ARG 70 Cb 0.00 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.55 2qbh h ARG 70 CO 0.00 -0.01 0.28 -0.24 2.80 0.00 0.00 179.97 182.80 2qbh h VAL 71 N -0.01 1.05 -0.34 0.20 3.04 -1.88 -2.56 116.25 115.75 2qbh h VAL 71 Ca 0.38 -0.19 0.07 0.00 -1.01 0.00 0.00 66.70 65.95 2qbh h VAL 71 Cb 0.60 0.44 -0.07 0.00 -2.01 0.00 0.00 31.29 30.26 2qbh h VAL 71 CO -0.85 0.10 -0.10 0.00 -1.01 0.00 0.00 177.57 175.70 2qbh h ALA 72 N 1.21 0.19 -0.69 3.17 0.00 0.07 -1.01 119.26 122.20 2qbh h ALA 72 Ca 0.19 0.13 0.15 0.00 0.00 0.00 0.00 54.91 55.38 2qbh h ALA 72 Cb 0.02 0.29 -0.11 0.00 0.00 0.00 0.00 17.79 17.99 2qbh h ALA 72 CO -0.09 -0.48 0.10 0.00 0.00 0.00 0.00 179.25 178.79 2qbh h ALA 73 N 1.29 0.82 -0.63 0.00 0.00 -0.91 0.23 119.26 120.06 2qbh h ALA 73 Ca 0.17 0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.37 2qbh h ALA 73 Cb 0.28 0.28 -0.08 0.00 0.00 0.00 0.00 17.79 18.27 2qbh h ALA 73 CO -0.37 -0.36 0.20 -0.07 0.00 0.00 0.00 179.25 178.65 2qbh h LEU 74 N 0.20 0.14 -0.71 0.00 3.38 -0.93 0.30 115.31 117.70 2qbh h LEU 74 Ca 0.38 0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.52 2qbh h LEU 74 Cb 0.64 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.43 2qbh h LEU 74 CO -0.53 0.08 0.39 0.40 0.09 0.00 0.00 178.44 178.87 2qbh h ILE 75 N 0.35 0.95 -0.09 1.22 2.04 -0.62 -2.04 117.51 119.32 2qbh h ILE 75 Ca 0.33 -0.24 -0.07 0.00 1.00 0.00 0.00 64.86 65.88 2qbh h ILE 75 Cb 0.45 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 2qbh h ILE 75 CO -0.36 0.13 -0.21 0.11 0.00 0.00 0.00 178.15 177.81 2qbh h LYS 76 N 0.70 0.30 -0.88 2.37 1.79 -0.97 -3.22 116.57 116.65 2qbh h LYS 76 Ca 0.32 -0.21 0.16 0.00 -2.18 0.00 0.00 60.65 58.74 2qbh h LYS 76 Cb 0.24 0.03 -0.10 0.00 -1.58 0.00 0.00 32.23 30.82 2qbh h LYS 76 CO -0.20 0.81 0.47 0.93 -1.08 0.00 0.00 179.45 180.38 2qbh h GLU 77 N -0.17 0.63 -5.71 3.15 5.08 -0.75 -3.37 114.58 113.44 2qbh h GLU 77 Ca -0.00 -0.04 -0.59 0.00 -1.00 0.00 0.00 59.36 57.73 2qbh h GLU 77 Cb 0.82 -0.14 -0.09 0.00 0.50 0.00 0.00 28.75 29.84 2qbh h GLU 77 CO 0.05 0.42 0.12 0.54 -1.00 0.00 0.00 179.01 179.13 2qbh s VAL 78 N -5.95 5.03 -0.44 3.13 0.11 -0.79 -4.94 120.40 116.55 2qbh s VAL 78 Ca -0.12 1.22 -0.41 0.00 -2.93 0.00 0.00 61.98 59.74 2qbh s VAL 78 Cb 0.22 -3.96 -0.18 0.00 -1.53 0.00 0.00 36.38 30.94 2qbh s VAL 78 CO 0.78 0.13 1.42 0.59 -3.33 0.00 0.00 175.10 174.70 2qbh n ASN 79 N 4.86 1.06 -0.10 3.54 3.02 -1.26 -4.81 115.26 121.57 2qbh n ASN 79 Ca -0.01 1.04 -0.11 0.00 -0.03 0.00 0.00 54.58 55.46 2qbh n ASN 79 Cb 0.50 -0.78 -0.15 0.00 -0.61 0.00 0.00 39.78 38.74 2qbh n ASN 79 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2qbh n LYS 80 N 3.60 0.72 0.13 3.52 0.00 -1.26 -4.38 118.16 120.48 2qbh n LYS 80 Ca 0.28 0.02 -0.01 0.00 0.00 0.00 0.00 58.31 58.60 2qbh n LYS 80 Cb -0.05 -1.51 0.10 0.00 0.00 0.00 0.00 35.03 33.57 2qbh n LYS 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qbh h ALA 81 N 0.81 0.75 0.00 3.14 0.00 -1.94 -3.52 119.26 118.51 2qbh h ALA 81 Ca -0.55 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 53.77 2qbh h ALA 81 Cb 2.17 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.86 2qbh h ALA 81 CO 0.01 0.81 0.00 0.00 0.00 0.00 0.00 179.25 180.07