#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xbq s GLU 3 N 0.00 1.17 -0.15 4.33 2.12 -1.26 -5.07 118.70 119.83 2xbq s GLU 3 Ca 0.00 -0.15 -0.02 0.00 0.36 0.00 0.00 54.97 55.16 2xbq s GLU 3 Cb 0.00 -1.24 0.05 0.00 0.26 0.00 0.00 34.13 33.19 2xbq s GLU 3 CO 0.00 -0.19 0.01 -1.17 -0.54 0.00 0.00 175.26 173.37 2xbq s LEU 4 N 1.44 1.07 -0.14 2.70 2.96 -1.25 -1.63 118.68 123.83 2xbq s LEU 4 Ca -0.01 -0.58 0.02 0.00 -0.22 0.00 0.00 54.13 53.34 2xbq s LEU 4 Cb -0.13 -0.60 0.01 0.00 0.50 0.00 0.00 46.19 45.96 2xbq s LEU 4 CO -0.04 -0.25 -0.20 -0.63 -1.32 0.00 0.00 176.35 173.91 2xbq s ILE 5 N 1.86 2.25 -0.24 6.68 1.01 0.11 -5.00 121.20 127.87 2xbq s ILE 5 Ca 0.01 -0.92 -0.08 0.00 0.00 0.00 0.00 60.65 59.67 2xbq s ILE 5 Cb -0.15 -1.91 -0.03 0.00 0.01 0.00 0.00 42.46 40.37 2xbq s ILE 5 CO -0.07 0.54 0.08 -0.70 0.00 0.00 0.00 174.94 174.79 2xbq s GLU 6 N 0.77 3.73 0.52 2.79 2.12 -1.26 -0.86 118.70 126.51 2xbq s GLU 6 Ca -0.07 -0.44 -0.07 0.00 0.36 0.00 0.00 54.97 54.74 2xbq s GLU 6 Cb -0.16 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 2xbq s GLU 6 CO -0.00 -0.11 0.85 -0.51 -0.54 0.00 0.00 175.26 174.95 2xbq s LEU 7 N 1.41 3.52 -0.10 2.70 1.43 -0.63 -4.96 118.68 122.05 2xbq s LEU 7 Ca 0.05 1.06 0.04 0.00 -1.03 0.00 0.00 54.13 54.25 2xbq s LEU 7 Cb -0.15 -4.04 -0.09 0.00 0.03 0.00 0.00 46.19 41.95 2xbq s LEU 7 CO 0.04 -0.65 -0.04 0.29 0.23 0.00 0.00 176.35 176.21 2xbq n LYS 8 N -2.39 1.28 -3.54 1.70 5.02 -1.26 -4.76 118.16 114.21 2xbq n LYS 8 Ca 0.02 0.03 -0.14 0.00 -2.02 0.00 0.00 58.31 56.21 2xbq n LYS 8 Cb 0.55 -1.22 -0.05 0.00 -0.02 0.00 0.00 35.03 34.29 2xbq n LYS 8 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 2xbq s GLN 9 N -2.22 1.10 0.25 1.97 -2.07 -1.26 -4.75 119.66 112.68 2xbq s GLN 9 Ca -0.10 -0.28 -0.30 0.00 -1.82 0.00 0.00 55.36 52.85 2xbq s GLN 9 Cb 0.03 0.50 -0.14 0.00 -1.09 0.00 0.00 33.01 32.32 2xbq s GLN 9 CO 0.30 -0.42 1.24 -0.25 -1.32 0.00 0.00 175.29 174.84 2xbq n ASP 10 N 0.22 2.05 0.00 12.60 8.00 -1.26 -1.71 116.55 136.45 2xbq n ASP 10 Ca -0.18 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.48 2xbq n ASP 10 Cb 0.61 -1.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.37 2xbq n ASP 10 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2xbq n GLY 11 N 1.73 2.84 0.21 0.44 0.00 -1.26 -4.94 105.19 104.21 2xbq n GLY 11 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.10 2xbq n GLY 11 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2xbq h ASP 12 N 0.19 0.38 -0.30 1.61 3.32 -1.77 -2.87 116.42 116.97 2xbq h ASP 12 Ca 0.00 -0.15 -0.18 0.00 0.02 0.00 0.00 57.03 56.72 2xbq h ASP 12 Cb 0.00 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 2xbq h ASP 12 CO 0.00 0.73 -0.51 0.25 -1.72 0.00 0.00 179.24 177.99 2xbq h LEU 13 N 0.31 0.97 -0.76 1.55 5.85 -1.92 -2.08 115.31 119.23 2xbq h LEU 13 Ca 0.03 -0.50 0.00 0.00 0.84 0.00 0.00 57.88 58.25 2xbq h LEU 13 Cb 0.80 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 2xbq h LEU 13 CO 0.06 1.30 0.48 -0.33 -0.34 0.00 0.00 178.44 179.62 2xbq h GLU 14 N 0.69 1.02 -0.59 1.25 3.07 -1.93 -0.83 114.58 117.26 2xbq h GLU 14 Ca 0.03 -0.08 -0.04 0.00 -0.50 0.00 0.00 59.36 58.77 2xbq h GLU 14 Cb 1.11 -0.22 -0.03 0.00 -0.84 0.00 0.00 28.75 28.77 2xbq h GLU 14 CO 0.12 0.70 0.20 0.66 -1.40 0.00 0.00 179.01 179.29 2xbq h SER 15 N 1.04 0.84 -0.71 1.42 4.64 -1.43 -2.10 113.55 117.25 2xbq h SER 15 Ca 0.28 -0.19 0.03 0.00 -0.47 0.00 0.00 61.79 61.44 2xbq h SER 15 Cb -0.08 -0.22 -0.05 0.00 -0.31 0.00 0.00 62.40 61.74 2xbq h SER 15 CO -0.06 0.81 0.44 0.25 -0.87 0.00 0.00 176.83 177.40 2xbq h LEU 16 N 0.83 0.72 -0.50 5.97 6.46 -0.97 -1.73 115.31 126.09 2xbq h LEU 16 Ca 0.19 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.89 2xbq h LEU 16 Cb 0.26 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.02 2xbq h LEU 16 CO -0.01 0.49 0.04 -0.07 -0.62 0.00 0.00 178.44 178.27 2xbq h LEU 17 N 0.85 0.83 -1.29 2.25 3.38 -0.89 -1.34 115.31 119.11 2xbq h LEU 17 Ca 0.29 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2xbq h LEU 17 Cb 0.04 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2xbq h LEU 17 CO -0.12 0.91 -0.01 -0.33 0.09 0.00 0.00 178.44 178.98 2xbq h GLU 18 N 0.73 0.46 -0.00 1.13 5.08 -1.14 -2.89 114.58 117.94 2xbq h GLU 18 Ca 0.15 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2xbq h GLU 18 Cb 0.46 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2xbq h GLU 18 CO 0.02 0.50 -0.12 1.04 -1.00 0.00 0.00 179.01 179.44 2xbq n GLN 19 N -4.29 0.79 -2.70 2.33 6.02 -0.67 -4.02 117.38 114.84 2xbq n GLN 19 Ca 0.01 -0.31 -0.17 0.00 -0.01 0.00 0.00 57.00 56.52 2xbq n GLN 19 Cb 0.24 -1.49 0.01 0.00 1.02 0.00 0.00 30.24 30.01 2xbq n GLN 19 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2xbq n HIS 20 N -0.83 1.93 0.10 1.08 8.25 -0.56 -4.95 115.22 120.24 2xbq n HIS 20 Ca 0.15 -3.12 0.03 0.00 -0.26 0.00 0.00 57.72 54.52 2xbq n HIS 20 Cb 0.29 -0.31 0.43 0.00 1.12 0.00 0.00 29.99 31.52 2xbq n HIS 20 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2xbq h LYS 21 N 2.87 0.29 -0.21 -0.41 1.57 -1.69 -3.04 116.57 115.95 2xbq h LYS 21 Ca 0.06 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2xbq h LYS 21 Cb 1.02 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.28 2xbq h LYS 21 CO 0.63 0.33 0.00 -1.71 -0.57 0.00 0.00 179.45 178.13 2xbq n ASN 22 N -4.36 1.12 -4.08 0.86 2.85 -1.26 -4.78 115.26 105.62 2xbq n ASN 22 Ca -0.00 -2.00 -0.14 0.00 -0.11 0.00 0.00 54.58 52.34 2xbq n ASN 22 Cb 0.20 -0.14 -0.11 0.00 1.24 0.00 0.00 39.78 40.96 2xbq n ASN 22 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2xbq s LYS 23 N -1.72 0.57 0.27 1.20 1.02 -1.15 -5.09 119.74 114.84 2xbq s LYS 23 Ca 0.14 -0.79 -0.30 0.00 0.02 0.00 0.00 55.97 55.05 2xbq s LYS 23 Cb 0.07 -0.37 -0.11 0.00 -0.52 0.00 0.00 37.83 36.91 2xbq s LYS 23 CO 0.10 0.07 1.50 -1.17 -0.92 0.00 0.00 175.35 174.93 2xbq s LEU 24 N -1.60 4.37 -0.13 3.17 2.96 -1.26 -4.71 118.68 121.47 2xbq s LEU 24 Ca -0.09 2.80 0.00 0.00 -0.22 0.00 0.00 54.13 56.63 2xbq s LEU 24 Cb -0.10 -3.63 -0.01 0.00 0.50 0.00 0.00 46.19 42.95 2xbq s LEU 24 CO 0.01 -0.79 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.41 2xbq s VAL 25 N -0.08 2.92 -0.14 1.68 1.01 -0.60 -0.91 120.40 124.27 2xbq s VAL 25 Ca 0.60 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.89 2xbq s VAL 25 Cb -0.44 -2.22 0.02 0.00 0.00 0.00 0.00 36.38 33.73 2xbq s VAL 25 CO 0.46 0.52 -0.16 -0.69 0.00 0.00 0.00 175.10 175.23 2xbq s VAL 26 N 0.44 1.70 -0.18 2.92 1.01 0.29 -0.66 120.40 125.92 2xbq s VAL 26 Ca -0.10 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.12 2xbq s VAL 26 Cb -0.16 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 2xbq s VAL 26 CO 0.05 0.48 -0.07 -0.69 0.00 0.00 0.00 175.10 174.87 2xbq s VAL 27 N 1.27 3.37 -0.45 2.92 1.01 -0.03 -1.19 120.40 127.30 2xbq s VAL 27 Ca 0.01 -0.52 -0.16 0.00 0.00 0.00 0.00 61.98 61.31 2xbq s VAL 27 Cb -0.14 -2.49 0.05 0.00 0.00 0.00 0.00 36.38 33.80 2xbq s VAL 27 CO -0.08 0.47 0.40 -0.62 0.00 0.00 0.00 175.10 175.26 2xbq s ASP 28 N 0.90 6.15 -0.27 3.32 2.15 0.33 -1.25 116.67 128.01 2xbq s ASP 28 Ca -0.01 -1.05 -0.25 0.00 0.43 0.00 0.00 52.55 51.66 2xbq s ASP 28 Cb -0.15 -2.19 -0.00 0.00 -0.30 0.00 0.00 42.92 40.28 2xbq s ASP 28 CO 0.01 -0.60 0.85 -0.36 -0.17 0.00 0.00 175.17 174.90 2xbq s PHE 29 N 1.83 3.27 0.27 -5.34 0.08 0.14 -0.65 117.98 117.57 2xbq s PHE 29 Ca 0.07 1.07 0.02 0.00 0.12 0.00 0.00 56.93 58.20 2xbq s PHE 29 Cb -0.21 -3.16 -0.05 0.00 -0.57 0.00 0.00 43.02 39.02 2xbq s PHE 29 CO 0.09 -0.48 0.09 -0.59 -0.10 0.00 0.00 175.22 174.23 2xbq s PHE 30 N 2.96 1.59 0.05 0.36 -0.71 -0.28 -2.07 117.98 119.88 2xbq s PHE 30 Ca 0.36 -1.15 0.04 0.00 -1.04 0.00 0.00 56.93 55.14 2xbq s PHE 30 Cb -0.15 -0.94 -0.03 0.00 -1.21 0.00 0.00 43.02 40.69 2xbq s PHE 30 CO 0.09 -0.29 -0.13 0.00 -1.34 0.00 0.00 175.22 173.56 2xbq s ALA 31 N -3.70 1.02 0.41 1.99 0.00 -1.26 -1.31 121.76 118.91 2xbq s ALA 31 Ca 0.38 -0.88 0.32 0.00 0.00 0.00 0.00 51.96 51.77 2xbq s ALA 31 Cb 0.08 -0.09 1.61 0.00 0.00 0.00 0.00 23.12 24.72 2xbq s ALA 31 CO 0.14 0.14 2.11 1.79 0.00 0.00 0.00 175.76 179.94 2xbq h THR 32 N 4.41 0.37 -0.01 0.00 1.35 -1.99 -2.61 112.91 114.42 2xbq h THR 32 Ca -0.39 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 2xbq h THR 32 Cb 1.19 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 2xbq h THR 32 CO 0.41 0.07 -0.11 -2.67 -0.25 0.00 0.00 175.52 172.98 2xbq n TRP 33 N -3.45 0.00 -3.38 4.73 4.27 -1.26 -4.89 117.44 113.46 2xbq n TRP 33 Ca -0.02 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.18 2xbq n TRP 33 Cb 0.22 -0.09 -0.09 0.00 -1.36 0.00 0.00 31.31 29.98 2xbq n TRP 33 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2xbq h GLY 35 N 8.83 0.16 1.60 0.00 0.00 -1.90 -3.07 103.07 108.69 2xbq h GLY 35 Ca -0.29 -0.14 0.06 0.00 0.00 0.00 0.00 47.33 46.96 2xbq h GLY 35 CO 0.72 0.12 0.15 -2.55 0.00 0.00 0.00 176.54 174.98 2xbq h PRO 36 N -0.22 0.00 -0.71 4.80 0.11 -1.93 -1.10 132.00 132.95 2xbq h PRO 36 Ca 0.02 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.11 2xbq h PRO 36 Cb 0.45 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.53 2xbq h PRO 36 CO 0.01 0.00 0.38 0.00 -0.21 0.00 0.00 178.00 178.17 2xbq h LYS 38 N 0.99 1.15 -0.45 0.00 1.57 -1.14 -1.43 116.57 117.26 2xbq h LYS 38 Ca 0.25 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 2xbq h LYS 38 Cb 0.06 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 2xbq h LYS 38 CO -0.04 0.94 0.15 1.15 -0.57 0.00 0.00 179.45 181.09 2xbq h THR 39 N 1.12 1.22 0.00 -0.16 2.02 -0.99 -3.18 112.91 112.94 2xbq h THR 39 Ca 0.25 -0.71 -0.02 0.00 0.77 0.00 0.00 66.41 66.70 2xbq h THR 39 Cb 0.24 0.83 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 2xbq h THR 39 CO -0.02 0.26 -0.07 -0.29 0.37 0.00 0.00 175.52 175.77 2xbq h ILE 40 N 0.59 0.13 -0.45 3.11 2.10 -1.13 -3.37 117.51 118.48 2xbq h ILE 40 Ca 0.15 -1.12 0.09 0.00 1.08 0.00 0.00 64.86 65.05 2xbq h ILE 40 Cb 0.25 2.01 -0.10 0.00 -1.09 0.00 0.00 36.82 37.89 2xbq h ILE 40 CO -0.01 0.07 -0.28 0.00 -1.08 0.00 0.00 178.15 176.86 2xbq h ALA 41 N 1.93 -0.03 0.00 0.18 0.00 -1.24 0.38 119.26 120.48 2xbq h ALA 41 Ca -0.00 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2xbq h ALA 41 Cb 1.00 0.64 -0.00 0.00 0.00 0.00 0.00 17.79 19.43 2xbq h ALA 41 CO 0.01 -0.65 -0.09 -1.00 0.00 0.00 0.00 179.25 177.52 2xbq h PRO 42 N -0.18 0.00 0.08 0.00 0.13 -1.77 -0.80 132.00 129.46 2xbq h PRO 42 Ca 0.20 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 65.08 2xbq h PRO 42 Cb 0.51 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.64 2xbq h PRO 42 CO -0.56 0.09 -1.11 -0.07 -0.23 0.00 0.00 178.00 176.12 2xbq h LEU 43 N 0.00 0.46 -0.50 1.56 3.38 -1.46 0.11 115.31 118.86 2xbq h LEU 43 Ca -0.00 -0.43 -0.12 0.00 0.09 0.00 0.00 57.88 57.42 2xbq h LEU 43 Cb 0.42 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2xbq h LEU 43 CO 0.01 1.29 -0.16 0.15 0.09 0.00 0.00 178.44 179.82 2xbq h PHE 44 N 0.13 1.12 -0.87 1.13 3.57 -0.57 -1.09 116.94 120.36 2xbq h PHE 44 Ca -0.11 -0.25 0.02 0.00 3.53 0.00 0.00 57.97 61.16 2xbq h PHE 44 Cb 1.80 -0.27 -0.05 0.00 2.79 0.00 0.00 35.95 40.23 2xbq h PHE 44 CO 0.06 1.07 0.57 -0.22 -2.23 0.00 0.00 178.31 177.56 2xbq h LYS 45 N 0.85 1.10 -0.80 1.11 3.64 -0.98 -2.17 116.57 119.32 2xbq h LYS 45 Ca 0.12 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.47 2xbq h LYS 45 Cb 0.73 -0.25 -0.05 0.00 -0.41 0.00 0.00 32.23 32.25 2xbq h LYS 45 CO 0.06 0.73 0.50 0.93 -2.27 0.00 0.00 179.45 179.40 2xbq h GLU 46 N 1.14 0.94 -0.95 1.90 5.08 -0.61 -2.01 114.58 120.07 2xbq h GLU 46 Ca 0.33 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.67 2xbq h GLU 46 Cb -0.07 -0.21 -0.05 0.00 0.50 0.00 0.00 28.75 28.91 2xbq h GLU 46 CO -0.09 0.62 0.62 -0.07 -1.00 0.00 0.00 179.01 179.10 2xbq h LEU 47 N 0.97 1.03 -2.24 1.33 3.38 -0.92 -1.64 115.31 117.22 2xbq h LEU 47 Ca 0.32 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 2xbq h LEU 47 Cb 0.04 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 2xbq h LEU 47 CO -0.12 0.71 -0.04 0.77 0.09 0.00 0.00 178.44 179.85 2xbq h SER 48 N 1.20 0.00 0.32 -0.43 4.64 -0.72 0.15 113.55 118.70 2xbq h SER 48 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 2xbq h SER 48 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2xbq h SER 48 CO -0.12 0.04 -0.42 -0.62 -0.87 0.00 0.00 176.83 174.84 2xbq n GLU 49 N -3.32 0.45 -0.03 4.77 1.02 -0.64 -4.10 120.64 118.80 2xbq n GLU 49 Ca -0.02 -0.28 0.05 0.00 -0.02 0.00 0.00 57.16 56.89 2xbq n GLU 49 Cb 0.18 -1.49 -0.14 0.00 -0.02 0.00 0.00 31.44 29.97 2xbq n GLU 49 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2xbq n LYS 50 N -1.03 0.71 -4.53 3.49 4.81 -0.01 -4.93 118.16 116.66 2xbq n LYS 50 Ca 0.09 -0.13 -0.23 0.00 -0.87 0.00 0.00 58.31 57.17 2xbq n LYS 50 Cb 0.35 -1.44 -0.14 0.00 0.02 0.00 0.00 35.03 33.82 2xbq n LYS 50 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2xbq s TYR 51 N -3.08 1.49 -1.34 5.64 2.02 -0.89 -5.05 117.35 116.14 2xbq s TYR 51 Ca -0.07 -0.35 -0.13 0.00 -0.37 0.00 0.00 57.07 56.16 2xbq s TYR 51 Cb 0.10 -0.90 0.11 0.00 -0.40 0.00 0.00 41.96 40.88 2xbq s TYR 51 CO 0.75 0.05 1.93 -3.47 -1.57 0.00 0.00 175.55 173.23 2xbq n ASP 52 N 2.01 4.66 -3.94 2.29 2.03 -1.26 -4.83 116.55 117.50 2xbq n ASP 52 Ca -0.17 -2.98 -0.13 0.00 0.52 0.00 0.00 54.79 52.03 2xbq n ASP 52 Cb 0.54 -1.59 -0.09 0.00 -0.72 0.00 0.00 41.12 39.27 2xbq n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2xbq s ALA 53 N 1.99 1.16 -0.26 -1.67 0.00 -1.26 -4.73 121.76 116.99 2xbq s ALA 53 Ca 0.44 -1.69 -0.10 0.00 0.00 0.00 0.00 51.96 50.61 2xbq s ALA 53 Cb 0.09 1.36 -0.05 0.00 0.00 0.00 0.00 23.12 24.53 2xbq s ALA 53 CO -0.02 -0.64 0.17 0.42 0.00 0.00 0.00 175.76 175.68 2xbq s ILE 54 N -3.93 5.27 -0.14 0.00 -1.09 -0.09 -4.43 121.20 116.80 2xbq s ILE 54 Ca 0.37 0.15 -0.06 0.00 -2.23 0.00 0.00 60.65 58.89 2xbq s ILE 54 Cb 0.05 -3.48 -0.04 0.00 -1.58 0.00 0.00 42.46 37.41 2xbq s ILE 54 CO 0.16 0.31 0.06 -0.36 -1.23 0.00 0.00 174.94 173.88 2xbq s PHE 55 N 1.36 3.32 -0.00 3.97 0.08 -0.65 -0.55 117.98 125.51 2xbq s PHE 55 Ca 0.07 0.24 0.02 0.00 0.12 0.00 0.00 56.93 57.37 2xbq s PHE 55 Cb -0.15 -1.95 -0.01 0.00 -0.57 0.00 0.00 43.02 40.35 2xbq s PHE 55 CO 0.07 0.41 -0.06 0.08 -0.10 0.00 0.00 175.22 175.63 2xbq s VAL 56 N -0.40 0.43 -0.10 -0.44 1.01 -0.34 -0.71 120.40 119.85 2xbq s VAL 56 Ca 0.09 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.82 2xbq s VAL 56 Cb -0.12 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 35.87 2xbq s VAL 56 CO 0.02 0.09 -0.15 -0.54 0.00 0.00 0.00 175.10 174.52 2xbq s LYS 57 N -0.20 3.06 -0.17 2.72 1.02 -0.04 -0.51 119.74 125.62 2xbq s LYS 57 Ca 0.01 -0.72 -0.01 0.00 0.02 0.00 0.00 55.97 55.27 2xbq s LYS 57 Cb -0.02 -2.50 0.05 0.00 -0.52 0.00 0.00 37.83 34.83 2xbq s LYS 57 CO -0.00 0.33 -0.03 0.08 -0.92 0.00 0.00 175.35 174.81 2xbq s VAL 58 N 0.03 0.95 -0.29 3.17 1.01 0.18 -1.61 120.40 123.83 2xbq s VAL 58 Ca -0.05 -0.58 -0.29 0.00 0.00 0.00 0.00 61.98 61.05 2xbq s VAL 58 Cb -0.15 -1.20 -0.00 0.00 0.00 0.00 0.00 36.38 35.04 2xbq s VAL 58 CO 0.04 0.06 1.34 -0.62 0.00 0.00 0.00 175.10 175.92 2xbq s ASP 59 N 1.70 6.63 0.59 3.32 -1.08 -1.26 -1.12 116.67 125.45 2xbq s ASP 59 Ca 0.00 1.26 0.35 0.00 -0.52 0.00 0.00 52.55 53.64 2xbq s ASP 59 Cb -0.16 -2.54 1.88 0.00 -1.46 0.00 0.00 42.92 40.64 2xbq s ASP 59 CO -0.07 -1.11 2.21 -0.37 0.52 0.00 0.00 175.17 176.35 2xbq h VAL 60 N 5.99 0.27 0.00 1.11 -1.51 -1.50 0.12 116.25 120.73 2xbq h VAL 60 Ca -0.27 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 2xbq h VAL 60 Cb 1.10 1.18 0.00 0.00 -2.13 0.00 0.00 31.29 31.44 2xbq h VAL 60 CO 1.03 0.04 0.00 0.44 -1.23 0.00 0.00 177.57 177.84 2xbq h ASP 61 N 0.00 0.00 0.29 4.19 3.32 -1.92 -3.22 116.42 119.09 2xbq h ASP 61 Ca -0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 2xbq h ASP 61 Cb 0.17 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 2xbq h ASP 61 CO 0.00 0.00 -1.82 0.29 -1.72 0.00 0.00 179.24 175.99 2xbq n LYS 62 N -2.84 0.65 -3.22 3.56 5.02 0.33 -4.60 118.16 117.05 2xbq n LYS 62 Ca 0.04 -0.02 -0.25 0.00 -2.02 0.00 0.00 58.31 56.06 2xbq n LYS 62 Cb 0.46 -1.63 -0.06 0.00 -0.02 0.00 0.00 35.03 33.78 2xbq n LYS 62 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2xbq n LEU 63 N -2.57 2.33 -0.14 -0.35 4.32 -0.57 -4.24 117.00 115.79 2xbq n LEU 63 Ca -0.11 -5.19 -0.08 0.00 -0.02 0.00 0.00 56.01 50.60 2xbq n LEU 63 Cb 0.76 -0.02 0.06 0.00 -1.62 0.00 0.00 43.42 42.60 2xbq n LEU 63 CO 0.44 2.16 0.75 -0.33 -1.22 0.00 0.00 177.39 179.18 2xbq h GLU 64 N 3.71 0.91 -0.00 3.23 5.08 -1.81 -1.33 114.58 124.37 2xbq h GLU 64 Ca 0.13 -0.34 -0.15 0.00 -1.00 0.00 0.00 59.36 58.00 2xbq h GLU 64 Cb 0.75 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 2xbq h GLU 64 CO 0.66 0.99 -0.73 0.93 -1.00 0.00 0.00 179.01 179.86 2xbq h GLU 65 N 0.80 0.02 -0.49 2.33 4.39 -1.92 -2.31 114.58 117.40 2xbq h GLU 65 Ca 0.12 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.72 2xbq h GLU 65 Cb 0.67 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.31 2xbq h GLU 65 CO 0.05 0.74 -0.05 1.15 -1.16 0.00 0.00 179.01 179.73 2xbq h THR 66 N 0.01 1.27 -0.64 1.13 2.02 -1.91 0.22 112.91 115.01 2xbq h THR 66 Ca -0.01 -1.16 0.06 0.00 0.77 0.00 0.00 66.41 66.07 2xbq h THR 66 Cb 1.29 1.03 -0.05 0.00 -1.74 0.00 0.00 68.15 68.68 2xbq h THR 66 CO 0.10 0.40 0.35 0.00 0.37 0.00 0.00 175.52 176.74 2xbq h ALA 67 N 0.91 0.85 -0.50 6.16 0.00 -1.00 -2.63 119.26 123.05 2xbq h ALA 67 Ca 0.13 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2xbq h ALA 67 Cb 0.59 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2xbq h ALA 67 CO 0.04 0.02 0.21 0.00 0.00 0.00 0.00 179.25 179.51 2xbq h ARG 68 N 0.64 0.73 -0.98 0.00 3.08 -1.18 -0.48 114.38 116.19 2xbq h ARG 68 Ca 0.29 -0.13 0.17 0.00 0.07 0.00 0.00 59.98 60.38 2xbq h ARG 68 Cb 0.18 -0.12 -0.10 0.00 0.08 0.00 0.00 29.97 30.01 2xbq h ARG 68 CO -0.18 0.64 0.59 -0.22 -1.07 0.00 0.00 179.97 179.73 2xbq h LYS 69 N 0.66 0.76 -0.66 0.04 3.64 -0.64 -1.08 116.57 119.28 2xbq h LYS 69 Ca 0.17 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2xbq h LYS 69 Cb 0.17 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2xbq h LYS 69 CO -0.02 0.50 0.00 0.66 -2.27 0.00 0.00 179.45 178.32 2xbq n TYR 70 N -4.76 1.13 -3.55 1.91 4.01 -1.02 -4.96 117.16 109.92 2xbq n TYR 70 Ca 0.22 -0.55 -0.20 0.00 -0.16 0.00 0.00 57.90 57.21 2xbq n TYR 70 Cb 0.52 -0.10 0.07 0.00 -0.31 0.00 0.00 39.34 39.52 2xbq n TYR 70 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2xbq n ASN 71 N 1.30 -2.36 -4.72 7.72 5.15 -0.41 -4.94 115.26 117.00 2xbq n ASN 71 Ca 0.24 -0.68 -0.38 0.00 -0.60 0.00 0.00 54.58 53.16 2xbq n ASN 71 Cb 0.72 -4.75 -0.06 0.00 -0.53 0.00 0.00 39.78 35.15 2xbq n ASN 71 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2xbq s ILE 72 N -3.44 5.19 0.06 -1.44 -1.09 -0.24 -4.93 121.20 115.31 2xbq s ILE 72 Ca 0.09 0.93 0.00 0.00 -2.23 0.00 0.00 60.65 59.44 2xbq s ILE 72 Cb -0.04 -3.81 0.00 0.00 -1.58 0.00 0.00 42.46 37.03 2xbq s ILE 72 CO 0.76 0.32 0.00 -1.54 -1.23 0.00 0.00 174.94 173.25 2xbq n SER 73 N 3.77 0.48 -4.78 3.58 3.41 -1.26 -4.80 113.62 114.01 2xbq n SER 73 Ca -0.07 0.09 -0.38 0.00 -0.26 0.00 0.00 58.87 58.25 2xbq n SER 73 Cb 0.52 -0.12 -0.06 0.00 -0.26 0.00 0.00 64.21 64.28 2xbq n SER 73 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2xbq s ALA 74 N -2.00 3.31 -0.09 7.33 0.00 -1.26 -5.05 121.76 124.01 2xbq s ALA 74 Ca 0.00 0.47 0.01 0.00 0.00 0.00 0.00 51.96 52.44 2xbq s ALA 74 Cb 0.00 -3.10 -0.03 0.00 0.00 0.00 0.00 23.12 19.99 2xbq s ALA 74 CO 0.00 0.23 -0.09 -1.64 0.00 0.00 0.00 175.76 174.26 2xbq s MET 75 N -1.65 2.93 0.72 0.00 1.00 -1.26 -3.44 119.30 117.59 2xbq s MET 75 Ca 0.44 -0.59 -0.11 0.00 0.00 0.00 0.00 55.69 55.43 2xbq s MET 75 Cb -0.21 -2.60 0.02 0.00 0.00 0.00 0.00 34.83 32.04 2xbq s MET 75 CO 0.26 0.53 1.07 -1.25 0.00 0.00 0.00 175.02 175.63 2xbq s PRO 76 N -0.46 2.76 -0.02 2.03 0.04 -1.26 -4.76 135.00 133.32 2xbq s PRO 76 Ca 0.06 0.77 0.04 0.00 0.04 0.00 0.00 61.00 61.91 2xbq s PRO 76 Cb -0.12 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 2xbq s PRO 76 CO 0.02 -1.18 -0.13 0.99 0.04 0.00 0.00 177.00 176.74 2xbq s THR 77 N -3.14 1.10 -0.12 1.26 2.01 -0.88 -1.46 115.64 114.41 2xbq s THR 77 Ca 0.58 -0.56 -0.01 0.00 0.31 0.00 0.00 61.69 62.01 2xbq s THR 77 Cb -0.13 -0.94 -0.02 0.00 0.01 0.00 0.00 72.50 71.42 2xbq s THR 77 CO 0.54 0.32 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.35 2xbq s PHE 78 N -0.09 2.91 0.09 4.92 0.08 0.37 -0.69 117.98 125.58 2xbq s PHE 78 Ca 0.01 -0.31 0.09 0.00 0.12 0.00 0.00 56.93 56.84 2xbq s PHE 78 Cb -0.08 -1.83 -0.03 0.00 -0.57 0.00 0.00 43.02 40.51 2xbq s PHE 78 CO 0.00 0.03 -0.24 0.96 -0.10 0.00 0.00 175.22 175.88 2xbq s ILE 79 N -0.05 1.94 -0.17 0.64 -4.36 -0.38 -0.68 121.20 118.14 2xbq s ILE 79 Ca -0.01 -1.53 -0.06 0.00 -0.26 0.00 0.00 60.65 58.79 2xbq s ILE 79 Cb -0.14 -1.72 -0.04 0.00 1.25 0.00 0.00 42.46 41.82 2xbq s ILE 79 CO 0.03 0.09 0.02 0.00 0.24 0.00 0.00 174.94 175.33 2xbq s ALA 80 N -1.02 3.26 -0.18 2.27 0.00 -0.50 -0.85 121.76 124.74 2xbq s ALA 80 Ca 0.10 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.30 2xbq s ALA 80 Cb -0.10 -1.78 0.03 0.00 0.00 0.00 0.00 23.12 21.27 2xbq s ALA 80 CO 0.04 0.21 -0.16 0.42 0.00 0.00 0.00 175.76 176.27 2xbq s ILE 81 N 0.33 1.86 -0.13 0.00 1.01 0.17 -0.47 121.20 123.97 2xbq s ILE 81 Ca 0.01 -0.95 0.02 0.00 0.00 0.00 0.00 60.65 59.73 2xbq s ILE 81 Cb -0.13 -1.78 0.01 0.00 0.01 0.00 0.00 42.46 40.58 2xbq s ILE 81 CO 0.01 0.39 -0.19 -0.75 0.00 0.00 0.00 174.94 174.40 2xbq s LYS 82 N 1.34 2.62 -1.46 2.79 2.47 -0.23 -1.55 119.74 125.72 2xbq s LYS 82 Ca 0.02 -0.71 -0.11 0.00 -1.56 0.00 0.00 55.97 53.62 2xbq s LYS 82 Cb -0.14 -2.17 0.07 0.00 -1.46 0.00 0.00 37.83 34.13 2xbq s LYS 82 CO -0.11 -0.05 0.76 0.09 0.16 0.00 0.00 175.35 176.20 2xbq n ASN 83 N 4.17 -4.69 0.00 1.43 3.02 -1.26 -1.13 115.26 116.80 2xbq n ASN 83 Ca -0.19 -0.57 0.00 0.00 -0.03 0.00 0.00 54.58 53.79 2xbq n ASN 83 Cb 0.51 -3.79 0.00 0.00 -0.61 0.00 0.00 39.78 35.90 2xbq n ASN 83 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2xbq n GLY 84 N -1.49 2.16 3.63 7.41 0.00 -1.26 -5.03 105.19 110.60 2xbq n GLY 84 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2xbq n GLY 84 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2xbq s GLU 85 N -0.03 2.65 0.12 1.61 -1.05 -0.28 -5.06 118.70 116.64 2xbq s GLU 85 Ca 0.00 -0.67 -0.31 0.00 -0.15 0.00 0.00 54.97 53.84 2xbq s GLU 85 Cb 0.00 -2.57 -0.08 0.00 -0.44 0.00 0.00 34.13 31.04 2xbq s GLU 85 CO 0.00 0.61 1.47 0.21 0.95 0.00 0.00 175.26 178.51 2xbq s LYS 86 N -1.43 4.27 0.00 -4.83 2.36 -1.26 -1.07 119.74 117.78 2xbq s LYS 86 Ca 0.18 2.18 0.00 0.00 -2.55 0.00 0.00 55.97 55.78 2xbq s LYS 86 Cb -0.11 -3.28 0.00 0.00 -1.05 0.00 0.00 37.83 33.39 2xbq s LYS 86 CO 0.08 -0.53 0.00 1.33 1.55 0.00 0.00 175.35 177.78 2xbq n VAL 87 N 4.09 0.00 -3.45 4.02 0.24 0.38 -4.93 118.33 118.68 2xbq n VAL 87 Ca 0.13 -0.14 -0.11 0.00 -2.04 0.00 0.00 64.34 62.17 2xbq n VAL 87 Cb 0.41 0.63 -0.02 0.00 -1.47 0.00 0.00 33.84 33.39 2xbq n VAL 87 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2xbq s GLY 88 N -1.64 -0.57 0.07 7.63 0.00 -1.22 -5.01 107.32 106.58 2xbq s GLY 88 Ca 0.00 0.68 -0.10 0.00 0.00 0.00 0.00 44.72 45.30 2xbq s GLY 88 CO 0.00 0.24 0.21 0.51 0.00 0.00 0.00 173.10 174.06 2xbq s ASP 89 N -2.61 0.05 -0.11 1.64 -4.77 -1.26 -1.41 116.67 108.21 2xbq s ASP 89 Ca 0.02 -0.50 0.00 0.00 -3.30 0.00 0.00 52.55 48.78 2xbq s ASP 89 Cb -0.01 0.33 0.02 0.00 -1.09 0.00 0.00 42.92 42.17 2xbq s ASP 89 CO -0.11 -0.66 -0.10 -0.69 0.70 0.00 0.00 175.17 174.31 2xbq s VAL 90 N -3.27 1.18 -0.25 2.11 1.01 0.15 -4.99 120.40 116.34 2xbq s VAL 90 Ca 0.00 -0.42 -0.10 0.00 0.00 0.00 0.00 61.98 61.47 2xbq s VAL 90 Cb 0.02 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 2xbq s VAL 90 CO -0.08 0.39 0.14 -0.69 0.00 0.00 0.00 175.10 174.86 2xbq s VAL 91 N 1.37 5.08 0.00 2.92 1.01 -1.26 -0.47 120.40 129.04 2xbq s VAL 91 Ca -0.00 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.06 2xbq s VAL 91 Cb -0.14 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.87 2xbq s VAL 91 CO -0.05 0.32 0.00 0.61 0.00 0.00 0.00 175.10 175.98 2xbq n GLY 92 N 4.59 1.26 2.97 4.51 0.00 -0.54 -4.84 105.19 113.14 2xbq n GLY 92 Ca -0.15 -1.97 -0.43 0.00 0.00 0.00 0.00 46.02 43.48 2xbq n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xbq n ALA 93 N 1.80 5.06 -3.98 4.61 0.00 -1.26 -4.76 120.51 121.98 2xbq n ALA 93 Ca 0.00 -4.18 -0.31 0.00 0.00 0.00 0.00 53.44 48.95 2xbq n ALA 93 Cb 0.00 -3.15 -0.15 0.00 0.00 0.00 0.00 19.45 16.15 2xbq n ALA 93 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2xbq s SER 94 N 1.86 4.63 0.31 0.00 0.15 -1.26 -4.98 113.70 114.41 2xbq s SER 94 Ca 0.43 -2.21 0.05 0.00 0.70 0.00 0.00 55.95 54.91 2xbq s SER 94 Cb 0.08 -1.55 0.51 0.00 -1.71 0.00 0.00 66.02 63.36 2xbq s SER 94 CO -0.01 -0.36 1.77 -0.29 1.20 0.00 0.00 173.24 175.55 2xbq h ILE 95 N 6.45 1.25 -0.37 6.45 6.09 -1.99 -1.19 117.51 134.20 2xbq h ILE 95 Ca -0.05 -1.16 0.01 0.00 -1.37 0.00 0.00 64.86 62.29 2xbq h ILE 95 Cb 1.00 1.33 -0.02 0.00 0.47 0.00 0.00 36.82 39.60 2xbq h ILE 95 CO 0.53 0.36 0.23 0.00 -3.07 0.00 0.00 178.15 176.21 2xbq h ALA 96 N 1.41 0.46 -0.76 0.18 0.00 -1.99 -0.90 119.26 117.66 2xbq h ALA 96 Ca 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2xbq h ALA 96 Cb 0.59 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2xbq h ALA 96 CO 0.04 -0.10 0.41 0.87 0.00 0.00 0.00 179.25 180.47 2xbq h LYS 97 N 0.46 1.05 -0.39 0.00 1.57 -1.82 -1.14 116.57 116.30 2xbq h LYS 97 Ca 0.14 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 2xbq h LYS 97 Cb -0.03 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 2xbq h LYS 97 CO -0.05 0.77 -0.05 0.28 -0.57 0.00 0.00 179.45 179.83 2xbq h VAL 98 N 1.06 1.27 -0.52 0.50 2.07 -0.97 -1.35 116.25 118.30 2xbq h VAL 98 Ca 0.27 -1.10 -0.09 0.00 0.82 0.00 0.00 66.70 66.60 2xbq h VAL 98 Cb 0.03 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 2xbq h VAL 98 CO -0.04 0.37 -0.05 -0.08 0.02 0.00 0.00 177.57 177.79 2xbq h GLU 99 N 0.54 0.95 -0.83 1.57 4.81 -0.81 -1.49 114.58 119.31 2xbq h GLU 99 Ca 0.11 -0.33 0.03 0.00 -0.13 0.00 0.00 59.36 59.04 2xbq h GLU 99 Cb 0.54 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.80 2xbq h GLU 99 CO 0.03 0.99 0.54 -0.44 -0.73 0.00 0.00 179.01 179.40 2xbq h ASP 100 N 0.82 0.90 -0.66 1.04 3.32 -1.08 -1.21 116.42 119.57 2xbq h ASP 100 Ca 0.14 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 2xbq h ASP 100 Cb 0.59 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.90 2xbq h ASP 100 CO 0.04 0.63 0.30 -0.03 -1.72 0.00 0.00 179.24 178.45 2xbq h MET 101 N 1.06 0.96 -0.34 3.56 4.05 -0.80 -1.26 114.93 122.16 2xbq h MET 101 Ca 0.33 -0.15 -0.02 0.00 -0.28 0.00 0.00 59.70 59.58 2xbq h MET 101 Cb -0.02 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 30.60 2xbq h MET 101 CO -0.10 0.78 0.14 0.82 0.23 0.00 0.00 176.91 178.77 2xbq h ILE 102 N 0.91 1.18 -0.86 1.77 2.04 -0.98 -2.46 117.51 119.12 2xbq h ILE 102 Ca 0.22 -0.56 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 2xbq h ILE 102 Cb 0.15 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 2xbq h ILE 102 CO -0.02 0.20 0.54 0.11 0.00 0.00 0.00 178.15 178.97 2xbq h LYS 103 N 0.39 1.16 -0.83 2.37 1.57 -0.87 -0.05 116.57 120.32 2xbq h LYS 103 Ca 0.11 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2xbq h LYS 103 Cb 0.18 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 2xbq h LYS 103 CO -0.01 0.80 0.53 -0.22 -0.57 0.00 0.00 179.45 179.98 2xbq h LYS 104 N 1.18 1.10 0.00 3.15 3.64 -1.02 -3.31 116.57 121.31 2xbq h LYS 104 Ca 0.31 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2xbq h LYS 104 Cb -0.07 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.51 2xbq h LYS 104 CO -0.06 0.75 -1.03 1.19 -2.27 0.00 0.00 179.45 178.03 2xbq n PHE 105 N -4.39 0.00 1.37 1.91 3.72 -0.95 -5.12 117.46 114.00 2xbq n PHE 105 Ca 0.09 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.60 2xbq n PHE 105 Cb 0.04 -0.12 0.65 0.00 -0.94 0.00 0.00 39.48 39.11 2xbq n PHE 105 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 176.76 178.22