#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbb n ARG 2 N 0.00 -2.47 -4.39 0.54 3.00 -1.26 -5.05 116.66 107.04 2qbb n ARG 2 Ca 0.00 2.11 -0.27 0.00 -0.01 0.00 0.00 57.85 59.68 2qbb n ARG 2 Cb 0.00 -3.89 -0.12 0.00 0.00 0.00 0.00 32.46 28.45 2qbb n ARG 2 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2qbb s SER 3 N -0.98 3.58 0.00 0.55 0.01 -1.26 -4.96 113.70 110.65 2qbb s SER 3 Ca -0.03 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.45 2qbb s SER 3 Cb 0.00 -0.35 0.00 0.00 0.21 0.00 0.00 66.02 65.89 2qbb s SER 3 CO 0.53 0.13 0.18 0.18 0.41 0.00 0.00 173.24 174.67 2qbb n LEU 4 N 0.39 0.00 0.00 2.44 4.77 -1.26 -5.11 117.00 118.23 2qbb n LEU 4 Ca -0.13 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 2qbb n LEU 4 Cb 0.55 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 2qbb n LEU 4 CO 0.29 0.66 0.00 0.29 -1.33 0.00 0.00 177.39 177.30 2qbb n LYS 5 N 0.00 0.00 -3.85 3.23 5.02 -1.26 -3.79 118.16 117.51 2qbb n LYS 5 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.99 2qbb n LYS 5 Cb 0.20 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.06 2qbb n LYS 5 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2qbb s LYS 6 N 0.00 1.17 0.00 1.97 -0.14 -1.26 -4.97 119.74 116.51 2qbb s LYS 6 Ca 0.00 -1.62 0.00 0.00 -1.36 0.00 0.00 55.97 52.99 2qbb s LYS 6 Cb 0.00 -2.58 0.00 0.00 -1.68 0.00 0.00 37.83 33.57 2qbb s LYS 6 CO 0.00 -1.01 0.00 0.41 -0.76 0.00 0.00 175.35 173.99 2qbb n GLY 7 N 4.30 -1.14 3.69 -3.33 0.00 -1.25 -5.12 105.19 102.35 2qbb n GLY 7 Ca 0.02 0.50 -0.44 0.00 0.00 0.00 0.00 46.02 46.10 2qbb n GLY 7 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qbb n PRO 8 N 0.00 2.47 -4.39 1.61 -0.02 -1.26 -4.99 135.00 128.42 2qbb n PRO 8 Ca 0.00 0.89 -0.26 0.00 -2.02 0.00 0.00 63.50 62.11 2qbb n PRO 8 Cb 0.00 -2.72 -0.13 0.00 -0.02 0.00 0.00 33.50 30.63 2qbb n PRO 8 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2qbb s PHE 9 N 1.64 2.03 -0.09 6.00 2.19 -1.26 -5.07 117.98 123.43 2qbb s PHE 9 Ca 0.80 -0.40 -0.15 0.00 0.33 0.00 0.00 56.93 57.51 2qbb s PHE 9 Cb -0.59 -1.12 0.03 0.00 -1.31 0.00 0.00 43.02 40.03 2qbb s PHE 9 CO 0.37 0.25 0.37 0.96 1.83 0.00 0.00 175.22 179.00 2qbb s ILE 10 N -1.07 0.02 0.76 3.12 -4.36 -1.26 -2.86 121.20 115.56 2qbb s ILE 10 Ca 0.10 -0.19 -0.15 0.00 -0.26 0.00 0.00 60.65 60.15 2qbb s ILE 10 Cb -0.10 -0.60 0.02 0.00 1.25 0.00 0.00 42.46 43.04 2qbb s ILE 10 CO 0.05 -0.10 0.93 0.47 0.24 0.00 0.00 174.94 176.52 2qbb n ASP 11 N 2.13 0.22 -0.33 4.36 9.92 -1.26 -4.84 116.55 126.76 2qbb n ASP 11 Ca -0.17 0.61 0.03 0.00 -0.53 0.00 0.00 54.79 54.74 2qbb n ASP 11 Cb 0.57 -1.39 0.18 0.00 -0.64 0.00 0.00 41.12 39.83 2qbb n ASP 11 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 2qbb h LEU 12 N -0.52 0.84 0.00 0.64 6.46 -2.01 -3.06 115.31 117.66 2qbb h LEU 12 Ca -0.47 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.33 2qbb h LEU 12 Cb 1.32 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 41.11 2qbb h LEU 12 CO 0.45 0.50 0.00 1.41 -0.62 0.00 0.00 178.44 180.18 2qbb n HIS 13 N -4.64 0.00 -0.16 1.25 -0.00 -1.26 -1.43 115.22 108.99 2qbb n HIS 13 Ca 0.15 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.85 2qbb n HIS 13 Cb 0.25 -0.24 0.06 0.00 -0.00 0.00 0.00 29.99 30.06 2qbb n HIS 13 CO 0.00 0.00 0.00 1.37 -0.00 0.00 0.00 176.34 177.71 2qbb h LEU 14 N 0.00 -0.17 -1.03 2.41 -0.00 -1.94 0.18 115.31 114.76 2qbb h LEU 14 Ca 0.00 0.11 0.30 0.00 -0.00 0.00 0.00 57.88 58.29 2qbb h LEU 14 Cb 0.00 0.19 -0.14 0.00 -0.00 0.00 0.00 40.66 40.72 2qbb h LEU 14 CO 0.00 -0.05 0.59 0.25 -0.00 0.00 0.00 178.44 179.23 2qbb h LEU 15 N 0.14 0.56 0.00 0.17 6.46 -1.36 1.52 115.31 122.80 2qbb h LEU 15 Ca 0.25 0.17 -0.19 0.00 -0.12 0.00 0.00 57.88 57.98 2qbb h LEU 15 Cb 0.37 0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.37 2qbb h LEU 15 CO -0.40 -0.05 -1.36 0.11 -0.62 0.00 0.00 178.44 176.12 2qbb h LYS 16 N 0.41 0.00 0.00 1.25 1.79 -0.03 -3.26 116.57 116.73 2qbb h LYS 16 Ca 0.70 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 59.16 2qbb h LYS 16 Cb 1.54 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.19 2qbb h LYS 16 CO -0.55 0.40 -0.06 0.87 -1.08 0.00 0.00 179.45 179.03 2qbb h LYS 17 N 0.00 0.00 -0.59 3.15 1.57 0.25 -3.09 116.57 117.85 2qbb h LYS 17 Ca -0.17 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 2qbb h LYS 17 Cb 1.68 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.96 2qbb h LYS 17 CO 0.06 0.78 0.33 -0.24 -0.57 0.00 0.00 179.45 179.81 2qbb h VAL 18 N -1.00 1.18 -0.38 0.50 3.04 0.17 -1.13 116.25 118.63 2qbb h VAL 18 Ca -0.02 -0.43 -0.14 0.00 -1.01 0.00 0.00 66.70 65.10 2qbb h VAL 18 Cb 0.80 0.37 -0.01 0.00 -2.01 0.00 0.00 31.29 30.44 2qbb h VAL 18 CO -0.01 0.19 -0.34 -0.08 -1.01 0.00 0.00 177.57 176.33 2qbb h GLU 19 N 0.82 0.87 -0.64 4.17 4.57 -1.68 -2.83 114.58 119.85 2qbb h GLU 19 Ca 0.21 -0.42 -0.09 0.00 -1.18 0.00 0.00 59.36 57.88 2qbb h GLU 19 Cb 0.01 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 2qbb h GLU 19 CO -0.04 1.07 0.04 -0.22 -1.18 0.00 0.00 179.01 178.69 2qbb h LYS 20 N 0.72 1.10 -0.47 1.92 3.11 -1.34 -2.32 116.57 119.28 2qbb h LYS 20 Ca 0.07 -0.33 0.06 0.00 -2.81 0.00 0.00 60.65 57.64 2qbb h LYS 20 Cb 0.90 -0.11 -0.03 0.00 -1.00 0.00 0.00 32.23 31.99 2qbb h LYS 20 CO 0.08 1.04 0.32 0.00 -2.81 0.00 0.00 179.45 178.08 2qbb h ALA 21 N 1.02 1.93 -0.09 5.00 0.00 -1.07 0.44 119.26 126.48 2qbb h ALA 21 Ca 0.19 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.12 2qbb h ALA 21 Cb 0.52 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2qbb h ALA 21 CO 0.02 -0.01 -0.17 0.28 0.00 0.00 0.00 179.25 179.38 2qbb h VAL 22 N 0.40 0.57 0.02 0.00 2.07 -1.17 0.40 116.25 118.54 2qbb h VAL 22 Ca 0.21 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.72 2qbb h VAL 22 Cb 0.30 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2qbb h VAL 22 CO -0.05 0.00 -0.01 1.05 0.02 0.00 0.00 177.57 178.58 2qbb h GLU 23 N -0.23 -0.03 -0.75 1.57 -0.00 -1.46 -3.29 114.58 110.39 2qbb h GLU 23 Ca 0.08 0.00 0.18 0.00 -0.00 0.00 0.00 59.36 59.63 2qbb h GLU 23 Cb 0.35 0.01 -0.04 0.00 -0.00 0.00 0.00 28.75 29.06 2qbb h GLU 23 CO -0.22 0.66 0.52 0.66 -0.00 0.00 0.00 179.01 180.62 2qbb h SER 24 N -0.95 0.22 -5.00 3.06 4.64 -0.95 -3.47 113.55 111.10 2qbb h SER 24 Ca -0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2qbb h SER 24 Cb 0.70 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 2qbb h SER 24 CO 0.00 0.11 0.00 0.61 -0.87 0.00 0.00 176.83 176.68 2qbb n GLY 25 N -1.59 2.37 3.67 -0.77 0.00 0.14 -4.97 105.19 104.05 2qbb n GLY 25 Ca 0.15 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 2qbb n GLY 25 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qbb s ASP 26 N 0.00 6.62 0.00 1.61 1.11 -1.26 -4.74 116.67 120.02 2qbb s ASP 26 Ca 0.00 2.40 0.00 0.00 0.18 0.00 0.00 52.55 55.13 2qbb s ASP 26 Cb 0.00 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.44 2qbb s ASP 26 CO 0.00 -0.92 0.00 2.29 1.18 0.00 0.00 175.17 177.72 2qbb n LYS 27 N 6.50 0.00 -0.91 8.23 2.85 -1.26 -5.12 118.16 128.45 2qbb n LYS 27 Ca 0.17 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 57.10 2qbb n LYS 27 Cb 0.42 0.00 0.14 0.00 -0.65 0.00 0.00 35.03 34.94 2qbb n LYS 27 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 2qbb n LYS 28 N 0.00 -0.11 -0.70 -1.58 0.00 -1.26 -4.60 118.16 109.91 2qbb n LYS 28 Ca 0.00 0.04 -0.30 0.00 -0.00 0.00 0.00 58.31 58.05 2qbb n LYS 28 Cb 0.00 -2.34 0.26 0.00 -0.00 0.00 0.00 35.03 32.95 2qbb n LYS 28 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2qbb s PRO 29 N -4.22 -1.72 -0.53 -1.58 0.04 -1.26 -4.66 135.00 121.07 2qbb s PRO 29 Ca 0.69 0.24 -0.08 0.00 0.04 0.00 0.00 61.00 61.89 2qbb s PRO 29 Cb -0.26 -1.51 0.14 0.00 0.04 0.00 0.00 34.50 32.90 2qbb s PRO 29 CO 0.55 -4.11 0.39 -0.51 0.04 0.00 0.00 177.00 173.37 2qbb s LEU 30 N -7.32 5.70 -0.19 -3.56 1.43 0.40 -4.62 118.68 110.52 2qbb s LEU 30 Ca 0.69 -2.16 -0.29 0.00 -1.03 0.00 0.00 54.13 51.34 2qbb s LEU 30 Cb -0.15 -1.99 -0.05 0.00 0.03 0.00 0.00 46.19 44.03 2qbb s LEU 30 CO 0.59 -0.62 2.02 -0.60 0.23 0.00 0.00 176.35 177.97 2qbb s ARG 31 N 0.98 3.45 0.20 1.70 6.06 -1.26 -0.36 118.95 129.72 2qbb s ARG 31 Ca 0.09 1.99 -0.22 0.00 -2.50 0.00 0.00 55.73 55.09 2qbb s ARG 31 Cb -0.23 -4.26 0.05 0.00 0.06 0.00 0.00 34.95 30.57 2qbb s ARG 31 CO -0.02 -1.74 0.64 0.95 -2.50 0.00 0.00 175.30 172.63 2qbb s THR 32 N 6.92 0.00 -0.57 4.11 -4.23 -0.04 -4.92 115.64 116.92 2qbb s THR 32 Ca 0.91 -0.35 0.05 0.00 -1.18 0.00 0.00 61.69 61.11 2qbb s THR 32 Cb -0.32 -1.34 0.05 0.00 1.34 0.00 0.00 72.50 72.23 2qbb s THR 32 CO 0.35 -0.00 0.71 0.79 -0.54 0.00 0.00 174.62 175.93 2qbb n TRP 33 N -0.40 0.03 -0.54 3.99 8.01 -1.26 -2.10 117.44 125.17 2qbb n TRP 33 Ca -0.13 -0.07 -0.05 0.00 -1.31 0.00 0.00 57.50 55.94 2qbb n TRP 33 Cb 0.63 -0.01 -0.08 0.00 -2.01 0.00 0.00 31.31 29.85 2qbb n TRP 33 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 2qbb n SER 34 N 0.22 3.31 0.21 -0.99 3.41 -1.26 -4.34 113.62 114.18 2qbb n SER 34 Ca 0.03 -2.05 0.04 0.00 -0.26 0.00 0.00 58.87 56.63 2qbb n SER 34 Cb 0.15 -0.84 0.45 0.00 -0.26 0.00 0.00 64.21 63.70 2qbb n SER 34 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2qbb h ARG 35 N 3.56 0.00 0.00 4.33 0.11 -1.90 -1.86 114.38 118.62 2qbb h ARG 35 Ca 0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.17 2qbb h ARG 35 Cb 0.86 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.94 2qbb h ARG 35 CO 0.24 0.26 0.00 2.89 0.10 0.00 0.00 179.97 183.46 2qbb n ARG 36 N -4.21 0.24 -2.12 0.08 1.85 -1.26 0.16 116.66 111.39 2qbb n ARG 36 Ca -0.02 0.10 -0.27 0.00 -1.00 0.00 0.00 57.85 56.65 2qbb n ARG 36 Cb 0.31 -1.50 0.12 0.00 -1.05 0.00 0.00 32.46 30.34 2qbb n ARG 36 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2qbb s SER 37 N -2.29 4.11 0.07 2.89 0.01 -0.70 -4.86 113.70 112.92 2qbb s SER 37 Ca 0.13 0.31 0.02 0.00 1.31 0.00 0.00 55.95 57.72 2qbb s SER 37 Cb 0.07 -0.69 -0.04 0.00 0.21 0.00 0.00 66.02 65.57 2qbb s SER 37 CO 0.14 -2.08 0.13 -0.89 0.41 0.00 0.00 173.24 170.95 2qbb s THR 38 N -3.50 4.86 0.09 1.44 2.01 -1.13 -0.07 115.64 119.33 2qbb s THR 38 Ca 0.66 -0.62 -0.29 0.00 0.31 0.00 0.00 61.69 61.76 2qbb s THR 38 Cb -0.08 -3.35 -0.06 0.00 0.01 0.00 0.00 72.50 69.03 2qbb s THR 38 CO 0.48 0.14 0.91 -0.63 -0.69 0.00 0.00 174.62 174.83 2qbb s ILE 39 N -1.43 4.57 0.30 1.82 1.01 0.11 -4.66 121.20 122.92 2qbb s ILE 39 Ca 0.31 1.95 0.08 0.00 0.00 0.00 0.00 60.65 63.00 2qbb s ILE 39 Cb -0.12 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.04 2qbb s ILE 39 CO 0.24 0.33 0.16 -0.36 0.00 0.00 0.00 174.94 175.31 2qbb s PHE 40 N 0.00 2.87 0.26 3.97 0.40 -1.26 -3.84 117.98 120.38 2qbb s PHE 40 Ca 0.45 -0.25 -0.02 0.00 -0.60 0.00 0.00 56.93 56.51 2qbb s PHE 40 Cb -0.23 -1.51 0.34 0.00 0.51 0.00 0.00 43.02 42.13 2qbb s PHE 40 CO 0.28 0.42 1.75 -1.00 0.70 0.00 0.00 175.22 177.37 2qbb h PRO 41 N 1.54 0.77 0.00 0.24 0.13 -1.93 -2.35 132.00 130.40 2qbb h PRO 41 Ca -0.45 -0.21 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 2qbb h PRO 41 Cb 1.25 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2qbb h PRO 41 CO 0.61 0.79 0.00 -2.95 -0.23 0.00 0.00 178.00 176.22 2qbb h ASN 42 N 0.72 0.00 1.39 1.44 -0.00 -1.96 -1.04 115.58 116.11 2qbb h ASN 42 Ca 0.14 0.00 -0.09 0.00 -0.00 0.00 0.00 56.30 56.35 2qbb h ASN 42 Cb 0.47 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.78 2qbb h ASN 42 CO 0.02 0.00 -0.43 0.24 -0.00 0.00 0.00 177.43 177.27 2qbb h MET 43 N 0.00 0.00 -6.35 4.14 0.00 -1.75 -3.45 114.93 107.52 2qbb h MET 43 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 59.70 59.07 2qbb h MET 43 Cb 0.21 0.00 0.10 0.00 0.00 0.00 0.00 31.60 31.91 2qbb h MET 43 CO 0.00 0.43 0.08 1.51 0.00 0.00 0.00 176.91 178.92 2qbb n ILE 44 N -3.27 1.60 -0.37 -1.22 3.06 -0.40 -0.38 119.36 118.39 2qbb n ILE 44 Ca 0.02 -0.40 0.00 0.00 -2.50 0.00 0.00 62.75 59.87 2qbb n ILE 44 Cb 0.66 -0.78 0.00 0.00 0.54 0.00 0.00 39.64 40.06 2qbb n ILE 44 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2qbb n GLY 45 N 1.60 1.75 3.97 4.50 0.00 0.99 -4.95 105.19 113.05 2qbb n GLY 45 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 2qbb n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qbb s LEU 46 N 0.00 3.33 -0.06 0.99 2.01 0.49 -4.93 118.68 120.52 2qbb s LEU 46 Ca 0.00 0.02 0.04 0.00 0.01 0.00 0.00 54.13 54.20 2qbb s LEU 46 Cb 0.00 -2.90 -0.02 0.00 0.01 0.00 0.00 46.19 43.28 2qbb s LEU 46 CO 0.00 -1.08 -0.18 -0.89 1.01 0.00 0.00 176.35 175.21 2qbb s THR 47 N -2.73 2.71 -0.04 5.49 2.01 -1.26 -3.69 115.64 118.13 2qbb s THR 47 Ca 0.56 -0.84 -0.02 0.00 0.31 0.00 0.00 61.69 61.70 2qbb s THR 47 Cb -0.10 -2.04 0.03 0.00 0.01 0.00 0.00 72.50 70.40 2qbb s THR 47 CO 0.38 0.58 0.07 -0.63 -0.69 0.00 0.00 174.62 174.33 2qbb s ILE 48 N -0.47 -0.12 -1.00 1.82 1.01 -1.25 -0.45 121.20 120.74 2qbb s ILE 48 Ca 0.06 0.40 -0.23 0.00 0.00 0.00 0.00 60.65 60.87 2qbb s ILE 48 Cb -0.12 -0.16 0.04 0.00 0.01 0.00 0.00 42.46 42.23 2qbb s ILE 48 CO 0.01 0.17 1.49 0.00 0.00 0.00 0.00 174.94 176.62 2qbb s ALA 49 N 2.07 2.61 -0.29 9.38 0.00 0.51 -3.27 121.76 132.77 2qbb s ALA 49 Ca 0.03 -2.14 -0.22 0.00 0.00 0.00 0.00 51.96 49.63 2qbb s ALA 49 Cb -0.12 -4.52 -0.01 0.00 0.00 0.00 0.00 23.12 18.47 2qbb s ALA 49 CO -0.03 -3.72 0.70 0.08 0.00 0.00 0.00 175.76 172.78 2qbb s VAL 50 N 5.52 4.89 0.51 0.00 1.01 0.11 -0.86 120.40 131.58 2qbb s VAL 50 Ca 0.48 1.07 -0.20 0.00 0.00 0.00 0.00 61.98 63.33 2qbb s VAL 50 Cb -0.01 -4.05 -0.07 0.00 0.00 0.00 0.00 36.38 32.25 2qbb s VAL 50 CO -0.08 -0.14 1.10 -2.28 0.00 0.00 0.00 175.10 173.69 2qbb s HIS 51 N 2.73 2.82 0.00 5.22 2.46 -0.89 0.15 115.29 127.78 2qbb s HIS 51 Ca 0.29 1.56 0.00 0.00 0.47 0.00 0.00 55.06 57.37 2qbb s HIS 51 Cb -0.15 -3.21 0.00 0.00 -0.13 0.00 0.00 32.58 29.09 2qbb s HIS 51 CO 0.11 -1.27 0.00 0.27 -2.47 0.00 0.00 174.74 171.38 2qbb n ASN 52 N -1.07 0.15 0.05 9.88 6.94 -1.03 -4.87 115.26 125.31 2qbb n ASN 52 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.66 2qbb n ASN 52 Cb 0.51 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.93 2qbb n ASN 52 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2qbb n GLY 53 N 2.69 -0.89 0.05 4.83 0.00 -1.26 -4.86 105.19 105.76 2qbb n GLY 53 Ca 0.00 0.16 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 2qbb n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbb n ARG 54 N -2.65 0.30 -4.45 1.61 1.74 -1.26 -5.05 116.66 106.90 2qbb n ARG 54 Ca 0.00 0.39 -0.23 0.00 -0.77 0.00 0.00 57.85 57.24 2qbb n ARG 54 Cb 0.00 -1.34 -0.09 0.00 -1.02 0.00 0.00 32.46 30.02 2qbb n ARG 54 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2qbb s GLN 55 N -1.87 1.81 0.89 5.56 -1.52 -1.26 -5.14 119.66 118.12 2qbb s GLN 55 Ca -0.11 -2.07 -0.12 0.00 -1.95 0.00 0.00 55.36 51.10 2qbb s GLN 55 Cb 0.02 -0.45 0.17 0.00 -0.22 0.00 0.00 33.01 32.52 2qbb s GLN 55 CO 0.16 -0.45 1.24 -1.01 -0.25 0.00 0.00 175.29 174.98 2qbb s HIS 56 N -3.33 1.80 -0.01 0.91 3.76 -1.26 -2.47 115.29 114.68 2qbb s HIS 56 Ca 0.29 0.26 -0.08 0.00 -0.15 0.00 0.00 55.06 55.38 2qbb s HIS 56 Cb 0.04 -3.82 0.01 0.00 1.11 0.00 0.00 32.58 29.92 2qbb s HIS 56 CO 0.16 -2.34 0.16 0.14 -0.85 0.00 0.00 174.74 172.02 2qbb s VAL 57 N -3.70 0.07 0.75 -0.90 -7.23 0.39 -4.82 120.40 104.96 2qbb s VAL 57 Ca 0.71 -0.56 -0.11 0.00 -1.81 0.00 0.00 61.98 60.21 2qbb s VAL 57 Cb -0.05 -0.43 0.04 0.00 0.56 0.00 0.00 36.38 36.51 2qbb s VAL 57 CO 0.51 -0.31 1.09 -2.16 -0.31 0.00 0.00 175.10 173.92 2qbb s PRO 58 N -1.15 2.40 -0.10 4.82 0.04 -1.26 0.09 135.00 139.85 2qbb s PRO 58 Ca -0.12 1.15 -0.08 0.00 0.04 0.00 0.00 61.00 61.98 2qbb s PRO 58 Cb -0.06 -1.92 0.03 0.00 0.04 0.00 0.00 34.50 32.59 2qbb s PRO 58 CO 0.02 -1.53 0.26 0.14 0.04 0.00 0.00 177.00 175.93 2qbb s VAL 59 N -2.88 -0.01 -0.92 -0.36 -7.23 -1.20 -4.85 120.40 102.95 2qbb s VAL 59 Ca 0.61 0.03 -0.02 0.00 -1.81 0.00 0.00 61.98 60.79 2qbb s VAL 59 Cb -0.17 -0.38 0.23 0.00 0.56 0.00 0.00 36.38 36.62 2qbb s VAL 59 CO 0.55 0.01 0.81 -0.36 -0.31 0.00 0.00 175.10 175.80 2qbb s PHE 60 N 0.39 3.94 -0.42 2.82 0.40 -1.26 -3.90 117.98 119.95 2qbb s PHE 60 Ca -0.02 -3.01 -0.34 0.00 -0.60 0.00 0.00 56.93 52.96 2qbb s PHE 60 Cb -0.04 -3.30 -0.12 0.00 0.51 0.00 0.00 43.02 40.08 2qbb s PHE 60 CO -0.02 -0.76 2.25 0.28 0.70 0.00 0.00 175.22 177.68 2qbb n VAL 61 N 2.35 0.14 -3.33 -0.44 0.31 -1.24 -4.84 118.33 111.28 2qbb n VAL 61 Ca 0.22 -0.28 -0.21 0.00 -0.01 0.00 0.00 64.34 64.06 2qbb n VAL 61 Cb 0.37 -1.62 0.02 0.00 -0.91 0.00 0.00 33.84 31.70 2qbb n VAL 61 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2qbb s THR 62 N 7.85 2.30 0.00 2.52 2.01 -1.26 -0.01 115.64 129.05 2qbb s THR 62 Ca 1.11 -1.18 0.00 0.00 0.31 0.00 0.00 61.69 61.93 2qbb s THR 62 Cb -0.85 -2.48 0.00 0.00 0.01 0.00 0.00 72.50 69.18 2qbb s THR 62 CO 0.48 0.00 0.54 -0.67 -0.69 0.00 0.00 174.62 174.28 2qbb n ASP 63 N -1.92 0.00 -0.34 3.53 4.64 -1.26 -2.53 116.55 118.67 2qbb n ASP 63 Ca 0.08 0.54 0.32 0.00 -1.38 0.00 0.00 54.79 54.35 2qbb n ASP 63 Cb 0.62 -0.04 0.68 0.00 -1.04 0.00 0.00 41.12 41.33 2qbb n ASP 63 CO 0.00 0.00 0.00 1.05 -0.82 0.00 0.00 177.20 177.43 2qbb h GLU 64 N 0.00 0.12 -4.67 -0.67 -0.00 -2.01 -3.22 114.58 104.12 2qbb h GLU 64 Ca 0.00 -0.01 -0.63 0.00 -0.00 0.00 0.00 59.36 58.72 2qbb h GLU 64 Cb 0.00 -0.03 -0.01 0.00 -0.00 0.00 0.00 28.75 28.71 2qbb h GLU 64 CO 0.00 0.08 2.40 -0.12 -0.00 0.00 0.00 179.01 181.36 2qbb n MET 65 N -4.33 2.24 0.00 1.06 1.56 -1.05 -4.29 117.12 112.31 2qbb n MET 65 Ca 0.27 -2.42 0.00 0.00 -0.27 0.00 0.00 57.70 55.28 2qbb n MET 65 Cb 1.17 -3.25 0.00 0.00 2.15 0.00 0.00 33.22 33.29 2qbb n MET 65 CO 0.00 0.00 0.00 1.33 -0.73 0.00 0.00 175.97 176.57 2qbb n VAL 66 N 6.02 0.00 0.03 1.12 0.24 -1.22 -4.13 118.33 120.39 2qbb n VAL 66 Ca 0.50 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.81 2qbb n VAL 66 Cb 0.42 -0.16 0.05 0.00 -1.47 0.00 0.00 33.84 32.67 2qbb n VAL 66 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qbb n GLY 67 N 1.79 -0.29 3.90 7.63 0.00 -1.25 -2.38 105.19 114.58 2qbb n GLY 67 Ca 0.00 0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 2qbb n GLY 67 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qbb s HIS 68 N -2.61 3.26 0.16 1.61 4.02 -1.26 -4.75 115.29 115.72 2qbb s HIS 68 Ca -0.00 0.90 -0.29 0.00 1.02 0.00 0.00 55.06 56.68 2qbb s HIS 68 Cb 0.00 -3.03 -0.07 0.00 -1.02 0.00 0.00 32.58 28.46 2qbb s HIS 68 CO 0.02 -1.15 0.93 0.15 1.02 0.00 0.00 174.74 175.70 2qbb s LYS 69 N -5.28 4.74 0.62 1.40 -0.14 -1.26 0.05 119.74 119.87 2qbb s LYS 69 Ca 0.57 1.43 0.33 0.00 -1.36 0.00 0.00 55.97 56.94 2qbb s LYS 69 Cb -0.11 -3.33 1.87 0.00 -1.68 0.00 0.00 37.83 34.58 2qbb s LYS 69 CO 0.50 0.36 2.16 1.25 -0.76 0.00 0.00 175.35 178.86 2qbb h LEU 70 N 4.94 0.00 -0.15 3.17 5.85 -0.41 -2.48 115.31 126.22 2qbb h LEU 70 Ca -0.44 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.05 2qbb h LEU 70 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 2qbb h LEU 70 CO 0.70 0.00 -0.96 1.23 -0.34 0.00 0.00 178.44 179.06 2qbb h GLY 71 N 0.00 0.45 2.00 3.75 0.00 0.13 -3.25 103.07 106.15 2qbb h GLY 71 Ca 0.04 -0.81 0.00 0.00 0.00 0.00 0.00 47.33 46.56 2qbb h GLY 71 CO -0.00 0.72 0.00 -1.84 0.00 0.00 0.00 176.54 175.42 2qbb n GLU 72 N -3.73 0.01 -2.06 4.80 0.28 -0.93 -2.49 120.64 116.51 2qbb n GLU 72 Ca -0.07 0.48 -0.37 0.00 -0.16 0.00 0.00 57.16 57.04 2qbb n GLU 72 Cb 0.85 -1.54 0.03 0.00 1.43 0.00 0.00 31.44 32.21 2qbb n GLU 72 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2qbb n PHE 73 N -1.57 3.09 -2.90 -1.84 3.01 -1.23 -4.76 117.46 111.26 2qbb n PHE 73 Ca 0.00 -2.52 0.02 0.00 1.01 0.00 0.00 57.45 55.96 2qbb n PHE 73 Cb 0.03 -0.91 0.00 0.00 -0.01 0.00 0.00 39.48 38.59 2qbb n PHE 73 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2qbb s ALA 74 N -3.94 -3.86 0.50 4.37 0.00 -1.04 -4.99 121.76 112.80 2qbb s ALA 74 Ca 0.51 1.00 -0.23 0.00 0.00 0.00 0.00 51.96 53.24 2qbb s ALA 74 Cb 0.43 -2.93 -0.06 0.00 0.00 0.00 0.00 23.12 20.55 2qbb s ALA 74 CO -0.36 -2.40 1.40 -0.35 0.00 0.00 0.00 175.76 174.05 2qbb n PRO 75 N 3.95 1.97 -0.08 0.00 -0.04 -1.26 -4.93 135.00 134.61 2qbb n PRO 75 Ca 0.07 0.71 -0.14 0.00 -0.04 0.00 0.00 63.50 64.10 2qbb n PRO 75 Cb 0.61 -2.61 -0.06 0.00 -0.04 0.00 0.00 33.50 31.40 2qbb n PRO 75 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2qbb n THR 76 N -0.65 0.84 -1.84 0.52 -1.04 -1.26 -4.90 114.28 105.95 2qbb n THR 76 Ca 0.08 -0.25 -0.33 0.00 -2.04 0.00 0.00 64.05 61.51 2qbb n THR 76 Cb 0.43 -1.47 0.03 0.00 -1.82 0.00 0.00 70.33 67.50 2qbb n THR 76 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qbb s ARG 77 N -2.29 3.00 -0.22 -2.82 1.70 -1.26 -4.87 118.95 112.19 2qbb s ARG 77 Ca -0.21 1.26 0.02 0.00 -0.47 0.00 0.00 55.73 56.33 2qbb s ARG 77 Cb 0.07 -1.99 0.04 0.00 -0.57 0.00 0.00 34.95 32.51 2qbb s ARG 77 CO 0.29 -1.07 -0.15 0.99 -1.08 0.00 0.00 175.30 174.28 2qbb s THR 78 N -2.48 2.10 -0.18 4.99 2.01 -1.26 -5.10 115.64 115.72 2qbb s THR 78 Ca 0.64 -1.31 0.01 0.00 0.31 0.00 0.00 61.69 61.34 2qbb s THR 78 Cb -0.18 -2.07 0.02 0.00 0.01 0.00 0.00 72.50 70.28 2qbb s THR 78 CO 0.41 0.23 -0.19 -0.47 -0.69 0.00 0.00 174.62 173.91 2qbb s TYR 79 N 1.20 2.79 0.00 4.92 5.04 -1.26 -5.33 117.35 124.70 2qbb s TYR 79 Ca -0.03 -1.57 0.00 0.00 -2.44 0.00 0.00 57.07 53.04 2qbb s TYR 79 Cb -0.17 -1.93 0.00 0.00 0.35 0.00 0.00 41.96 40.21 2qbb s TYR 79 CO -0.09 -0.77 0.00 0.54 -1.34 0.00 0.00 175.55 173.89