#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kzq s ASN 2 N 0.00 6.11 -0.09 6.12 0.01 -1.26 -4.97 114.94 120.87 3kzq s ASN 2 Ca 0.00 -0.27 0.03 0.00 -0.71 0.00 0.00 52.86 51.91 3kzq s ASN 2 Cb 0.00 -2.16 0.01 0.00 0.41 0.00 0.00 41.25 39.50 3kzq s ASN 2 CO 0.00 -0.26 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.52 3kzq s ILE 3 N 1.86 1.62 -0.00 0.60 1.01 -1.26 -0.63 121.20 124.40 3kzq s ILE 3 Ca 0.09 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 59.99 3kzq s ILE 3 Cb -0.17 -1.43 0.01 0.00 0.01 0.00 0.00 42.46 40.88 3kzq s ILE 3 CO 0.11 0.46 0.00 -0.75 0.00 0.00 0.00 174.94 174.76 3kzq s LYS 4 N 0.58 0.03 -0.31 2.79 2.20 -0.76 -0.85 119.74 123.42 3kzq s LYS 4 Ca -0.15 0.02 -0.07 0.00 -0.36 0.00 0.00 55.97 55.42 3kzq s LYS 4 Cb -0.17 -0.08 0.02 0.00 -1.51 0.00 0.00 37.83 36.09 3kzq s LYS 4 CO 0.05 -0.03 0.09 -1.17 -0.36 0.00 0.00 175.35 173.93 3kzq s LEU 5 N 0.21 3.99 -0.10 5.43 2.96 0.10 -0.56 118.68 130.71 3kzq s LEU 5 Ca -0.02 -0.84 -0.24 0.00 -0.22 0.00 0.00 54.13 52.81 3kzq s LEU 5 Cb -0.03 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.76 3kzq s LEU 5 CO -0.01 -0.23 0.72 -0.31 -1.32 0.00 0.00 176.35 175.20 3kzq s TYR 6 N 1.47 3.53 -0.31 5.38 2.02 0.05 -0.93 117.35 128.56 3kzq s TYR 6 Ca 0.01 1.22 -0.02 0.00 -0.37 0.00 0.00 57.07 57.92 3kzq s TYR 6 Cb -0.18 -2.85 0.05 0.00 -0.40 0.00 0.00 41.96 38.59 3kzq s TYR 6 CO 0.02 0.00 0.01 -0.47 -1.57 0.00 0.00 175.55 173.55 3kzq s TYR 7 N 1.16 3.28 -0.23 2.71 5.04 -0.18 -1.87 117.35 127.26 3kzq s TYR 7 Ca 0.37 -1.88 -0.09 0.00 -2.44 0.00 0.00 57.07 53.03 3kzq s TYR 7 Cb -0.17 -2.17 -0.04 0.00 0.35 0.00 0.00 41.96 39.93 3kzq s TYR 7 CO 0.16 -0.81 0.11 0.08 -1.34 0.00 0.00 175.55 173.76 3kzq s VAL 8 N 1.25 4.92 0.29 3.14 1.01 0.08 -0.46 120.40 130.63 3kzq s VAL 8 Ca -0.04 0.03 -0.03 0.00 0.00 0.00 0.00 61.98 61.93 3kzq s VAL 8 Cb -0.20 -3.28 0.01 0.00 0.00 0.00 0.00 36.38 32.91 3kzq s VAL 8 CO -0.01 0.36 0.43 0.00 0.00 0.00 0.00 175.10 175.88 3kzq n HIS 9 N 4.38 -1.38 -3.76 5.22 1.44 -0.44 -1.42 115.22 119.26 3kzq n HIS 9 Ca -0.16 -1.86 -0.12 0.00 -2.01 0.00 0.00 57.72 53.57 3kzq n HIS 9 Cb 0.52 0.49 -0.12 0.00 0.12 0.00 0.00 29.99 31.00 3kzq n HIS 9 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 3kzq s ASP 10 N -2.75 -0.28 0.55 4.39 2.15 -1.26 -1.38 116.67 118.08 3kzq s ASP 10 Ca 0.22 0.54 0.26 0.00 0.43 0.00 0.00 52.55 54.00 3kzq s ASP 10 Cb -0.01 0.49 1.44 0.00 -0.30 0.00 0.00 42.92 44.54 3kzq s ASP 10 CO 0.16 -0.12 2.00 -0.65 -0.17 0.00 0.00 175.17 176.38 3kzq h PRO 11 N 6.37 0.00 -0.49 4.34 0.11 -1.91 -1.26 132.00 139.15 3kzq h PRO 11 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3kzq h PRO 11 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3kzq h PRO 11 CO 0.35 0.00 0.00 -1.33 -0.21 0.00 0.00 178.00 176.81 3kzq n MET 12 N -4.21 4.16 -2.91 1.05 2.81 -1.26 -4.58 117.12 112.17 3kzq n MET 12 Ca 0.08 -3.02 -0.42 0.00 -1.81 0.00 0.00 57.70 52.54 3kzq n MET 12 Cb 0.58 -2.08 -0.05 0.00 -0.71 0.00 0.00 33.22 30.96 3kzq n MET 12 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3kzq h SER 14 N 7.89 0.97 0.38 0.00 0.02 -1.90 -2.47 113.55 118.44 3kzq h SER 14 Ca -0.24 -0.15 -0.12 0.00 -0.84 0.00 0.00 61.79 60.44 3kzq h SER 14 Cb 1.09 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.37 3kzq h SER 14 CO 0.88 0.88 -0.53 -0.50 -1.14 0.00 0.00 176.83 176.42 3kzq h TRP 15 N 1.02 0.20 -0.83 3.45 4.06 -1.93 0.19 115.95 122.11 3kzq h TRP 15 Ca 0.23 -0.07 -0.03 0.00 2.06 0.00 0.00 58.89 61.09 3kzq h TRP 15 Cb 0.23 -0.04 -0.04 0.00 -1.00 0.00 0.00 29.16 28.31 3kzq h TRP 15 CO 0.02 0.66 0.41 0.00 -3.56 0.00 0.00 178.44 175.96 3kzq h TRP 17 N 1.19 0.92 -0.90 0.00 -0.00 -1.14 -1.23 115.95 114.79 3kzq h TRP 17 Ca 0.29 -0.14 0.05 0.00 -0.00 0.00 0.00 58.89 59.09 3kzq h TRP 17 Cb 0.11 -0.25 -0.06 0.00 -0.00 0.00 0.00 29.16 28.96 3kzq h TRP 17 CO 0.01 0.84 0.57 0.78 -0.00 0.00 0.00 178.44 180.65 3kzq h GLY 18 N 0.73 1.33 2.00 2.65 0.00 -0.52 -2.85 103.07 106.41 3kzq h GLY 18 Ca 0.15 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 3kzq h GLY 18 CO 0.01 0.33 -0.06 -1.82 0.00 0.00 0.00 176.54 175.01 3kzq h TYR 19 N 1.08 0.00 -0.92 5.60 3.20 0.02 -3.40 116.97 122.55 3kzq h TYR 19 Ca 0.37 0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.37 3kzq h TYR 19 Cb 0.08 0.00 -0.14 0.00 1.54 0.00 0.00 36.73 38.21 3kzq h TYR 19 CO -0.02 0.06 -0.42 1.17 -1.64 0.00 0.00 178.16 177.31 3kzq n LYS 20 N -3.14 -0.28 -0.26 1.82 4.81 -0.50 -1.10 118.16 119.51 3kzq n LYS 20 Ca 0.02 1.41 0.04 0.00 -0.87 0.00 0.00 58.31 58.91 3kzq n LYS 20 Cb 0.43 -2.09 0.27 0.00 0.02 0.00 0.00 35.03 33.65 3kzq n LYS 20 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3kzq h PRO 21 N 0.00 0.94 0.06 1.64 0.11 -1.82 -1.68 132.00 131.25 3kzq h PRO 21 Ca 0.27 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 66.22 3kzq h PRO 21 Cb 0.50 -0.21 0.01 0.00 0.11 0.00 0.00 31.00 31.41 3kzq h PRO 21 CO -0.90 0.62 -0.42 1.15 -0.21 0.00 0.00 178.00 178.24 3kzq h THR 22 N 0.97 1.62 -0.66 -1.15 2.02 -1.41 -2.07 112.91 112.24 3kzq h THR 22 Ca 0.35 -2.37 0.00 0.00 0.77 0.00 0.00 66.41 65.16 3kzq h THR 22 Cb 0.15 3.19 -0.03 0.00 -1.74 0.00 0.00 68.15 69.72 3kzq h THR 22 CO -0.12 0.65 0.42 -0.29 0.37 0.00 0.00 175.52 176.55 3kzq h ILE 23 N -0.61 1.17 -0.48 3.11 6.09 -1.04 0.85 117.51 126.60 3kzq h ILE 23 Ca -0.07 -0.33 -0.13 0.00 -1.37 0.00 0.00 64.86 62.95 3kzq h ILE 23 Cb 1.30 0.22 -0.01 0.00 0.47 0.00 0.00 36.82 38.80 3kzq h ILE 23 CO 0.08 0.17 -0.22 -0.33 -3.07 0.00 0.00 178.15 174.78 3kzq h GLU 24 N 0.89 0.99 -0.28 2.19 5.08 -1.30 -1.21 114.58 120.94 3kzq h GLU 24 Ca 0.24 -0.43 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3kzq h GLU 24 Cb -0.08 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 3kzq h GLU 24 CO -0.05 1.11 0.17 0.87 -1.00 0.00 0.00 179.01 180.11 3kzq h LYS 25 N 0.85 0.38 -0.21 2.33 1.57 -0.71 -2.45 116.57 118.33 3kzq h LYS 25 Ca 0.11 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.91 3kzq h LYS 25 Cb 0.80 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.97 3kzq h LYS 25 CO 0.07 0.29 -0.19 1.25 -0.57 0.00 0.00 179.45 180.30 3kzq h LEU 26 N 0.36 -0.60 -1.02 2.94 5.85 -0.63 0.62 115.31 122.83 3kzq h LEU 26 Ca 0.10 0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.99 3kzq h LEU 26 Cb 0.00 0.29 -0.06 0.00 0.37 0.00 0.00 40.66 41.26 3kzq h LEU 26 CO -0.02 -0.23 0.65 0.50 -0.34 0.00 0.00 178.44 179.00 3kzq h LYS 27 N -0.20 1.19 -0.51 1.25 3.64 -1.16 0.55 116.57 121.33 3kzq h LYS 27 Ca 0.13 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 3kzq h LYS 27 Cb 0.39 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 3kzq h LYS 27 CO -0.33 0.79 0.10 1.96 -2.27 0.00 0.00 179.45 179.70 3kzq h GLN 28 N 1.23 0.79 0.00 1.90 1.08 -0.84 -3.15 115.11 116.11 3kzq h GLN 28 Ca 0.41 -0.17 0.00 0.00 -1.45 0.00 0.00 58.65 57.44 3kzq h GLN 28 Cb 0.07 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.39 3kzq h GLN 28 CO -0.14 0.73 -0.44 1.04 -0.95 0.00 0.00 178.83 179.07 3kzq n GLN 29 N -4.27 0.22 -1.85 1.46 6.02 0.13 -4.91 117.38 114.18 3kzq n GLN 29 Ca 0.03 0.09 -0.42 0.00 -0.01 0.00 0.00 57.00 56.70 3kzq n GLN 29 Cb 0.24 -1.66 -0.02 0.00 1.02 0.00 0.00 30.24 29.81 3kzq n GLN 29 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3kzq s LEU 30 N -3.98 4.36 0.52 1.08 1.43 0.08 -4.93 118.68 117.24 3kzq s LEU 30 Ca 0.08 2.84 -0.22 0.00 -1.03 0.00 0.00 54.13 55.80 3kzq s LEU 30 Cb 0.14 -3.63 -0.06 0.00 0.03 0.00 0.00 46.19 42.68 3kzq s LEU 30 CO 0.68 -0.85 1.30 -2.65 0.23 0.00 0.00 176.35 175.06 3kzq n PRO 31 N 2.48 1.68 -0.19 1.29 -0.02 -1.26 -4.87 135.00 134.10 3kzq n PRO 31 Ca 0.09 0.61 0.24 0.00 -2.02 0.00 0.00 63.50 62.42 3kzq n PRO 31 Cb 0.38 -2.49 0.62 0.00 -0.02 0.00 0.00 33.50 31.99 3kzq n PRO 31 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3kzq h GLY 32 N 1.50 0.41 2.00 -1.23 0.00 -1.97 -0.15 103.07 103.62 3kzq h GLY 32 Ca -0.50 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 46.74 3kzq h GLY 32 CO 0.57 -0.01 -0.03 -0.24 0.00 0.00 0.00 176.54 176.83 3kzq h VAL 33 N 0.19 0.12 -3.51 4.60 3.04 -1.96 -3.42 116.25 115.31 3kzq h VAL 33 Ca 0.43 -0.40 -0.61 0.00 -1.01 0.00 0.00 66.70 65.12 3kzq h VAL 33 Cb 1.41 1.35 -0.11 0.00 -2.01 0.00 0.00 31.29 31.92 3kzq h VAL 33 CO -0.09 0.03 -0.04 -0.63 -1.01 0.00 0.00 177.57 175.83 3kzq s ILE 34 N -3.89 5.10 0.10 3.17 1.01 -0.07 -4.47 121.20 122.14 3kzq s ILE 34 Ca -0.01 0.91 -0.30 0.00 0.00 0.00 0.00 60.65 61.24 3kzq s ILE 34 Cb 0.11 -3.83 -0.06 0.00 0.01 0.00 0.00 42.46 38.69 3kzq s ILE 34 CO 0.52 0.15 1.06 -1.10 0.00 0.00 0.00 174.94 175.56 3kzq s GLN 35 N 1.87 4.58 -0.16 2.79 -0.21 -0.03 -4.88 119.66 123.62 3kzq s GLN 35 Ca 0.23 1.59 -0.12 0.00 0.02 0.00 0.00 55.36 57.08 3kzq s GLN 35 Cb -0.15 -3.36 -0.05 0.00 1.00 0.00 0.00 33.01 30.45 3kzq s GLN 35 CO 0.09 0.02 0.22 0.12 -2.12 0.00 0.00 175.29 173.62 3kzq s PHE 36 N 0.35 3.47 -0.09 0.91 5.36 -1.26 0.00 117.98 126.72 3kzq s PHE 36 Ca 0.51 0.50 -0.00 0.00 -0.96 0.00 0.00 56.93 56.98 3kzq s PHE 36 Cb -0.26 -2.22 0.02 0.00 -0.34 0.00 0.00 43.02 40.22 3kzq s PHE 36 CO 0.31 0.34 -0.06 -2.00 -1.46 0.00 0.00 175.22 172.34 3kzq s GLU 37 N 0.17 1.29 0.32 10.12 2.12 -0.11 -4.94 118.70 127.68 3kzq s GLU 37 Ca 0.13 -0.19 -0.27 0.00 0.36 0.00 0.00 54.97 55.01 3kzq s GLU 37 Cb -0.12 -1.36 -0.09 0.00 0.26 0.00 0.00 34.13 32.81 3kzq s GLU 37 CO 0.02 -0.22 1.01 0.71 -0.54 0.00 0.00 175.26 176.25 3kzq s TYR 38 N 1.55 3.59 -0.06 5.30 2.02 -1.26 -1.01 117.35 127.48 3kzq s TYR 38 Ca 0.01 1.75 -0.00 0.00 -0.37 0.00 0.00 57.07 58.45 3kzq s TYR 38 Cb -0.13 -3.08 0.02 0.00 -0.40 0.00 0.00 41.96 38.37 3kzq s TYR 38 CO -0.05 -0.18 -0.03 0.08 -1.57 0.00 0.00 175.55 173.80 3kzq s VAL 39 N -1.44 0.50 -0.01 0.71 1.01 0.39 -4.87 120.40 116.68 3kzq s VAL 39 Ca 0.49 -0.03 -0.28 0.00 0.00 0.00 0.00 61.98 62.17 3kzq s VAL 39 Cb -0.24 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 3kzq s VAL 39 CO 0.31 0.25 0.88 0.68 0.00 0.00 0.00 175.10 177.21 3kzq s VAL 40 N 1.39 4.89 -0.15 2.92 -7.23 -1.26 -1.32 120.40 119.64 3kzq s VAL 40 Ca -0.04 1.84 0.22 0.00 -1.81 0.00 0.00 61.98 62.19 3kzq s VAL 40 Cb -0.13 -4.22 -0.14 0.00 0.56 0.00 0.00 36.38 32.45 3kzq s VAL 40 CO -0.03 0.21 0.80 0.61 -0.31 0.00 0.00 175.10 176.39 3kzq n GLY 41 N 2.89 -1.27 2.03 2.32 0.00 -0.48 -3.98 105.19 106.71 3kzq n GLY 41 Ca 0.03 -0.35 -0.02 0.00 0.00 0.00 0.00 46.02 45.68 3kzq n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kzq n GLY 42 N 1.22 -0.83 0.28 -0.02 0.00 -1.26 -4.78 105.19 99.80 3kzq n GLY 42 Ca -0.02 0.28 -0.04 0.00 0.00 0.00 0.00 46.02 46.24 3kzq n GLY 42 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kzq h LEU 43 N 0.54 0.78 -7.53 0.99 5.85 -1.91 -3.44 115.31 110.60 3kzq h LEU 43 Ca 0.00 -0.01 -0.24 0.00 0.84 0.00 0.00 57.88 58.47 3kzq h LEU 43 Cb 0.60 -0.19 -0.30 0.00 0.37 0.00 0.00 40.66 41.14 3kzq h LEU 43 CO 0.09 0.56 -0.62 0.00 -0.34 0.00 0.00 178.44 178.12 3kzq s ALA 44 N -6.13 -0.20 1.01 1.25 0.00 -1.26 -4.95 121.76 111.48 3kzq s ALA 44 Ca -0.13 0.44 -0.14 0.00 0.00 0.00 0.00 51.96 52.13 3kzq s ALA 44 Cb 0.15 -0.29 0.19 0.00 0.00 0.00 0.00 23.12 23.17 3kzq s ALA 44 CO 0.77 -0.10 1.14 -1.25 0.00 0.00 0.00 175.76 176.32 3kzq s PRO 45 N 0.67 0.34 0.07 0.00 0.04 -1.26 -0.22 135.00 134.64 3kzq s PRO 45 Ca -0.05 0.19 -0.34 0.00 0.04 0.00 0.00 61.00 60.84 3kzq s PRO 45 Cb -0.07 -1.76 -0.13 0.00 0.04 0.00 0.00 34.50 32.59 3kzq s PRO 45 CO -0.03 -2.72 1.72 -0.25 0.04 0.00 0.00 177.00 175.76 3kzq n ASP 46 N -4.11 3.34 -3.51 6.66 8.00 -1.26 -4.32 116.55 121.36 3kzq n ASP 46 Ca 0.08 1.03 -0.15 0.00 0.71 0.00 0.00 54.79 56.46 3kzq n ASP 46 Cb 0.59 -1.42 -0.05 0.00 -0.02 0.00 0.00 41.12 40.22 3kzq n ASP 46 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3kzq s THR 47 N 2.29 0.01 -1.62 -3.53 -1.32 -1.26 -5.04 115.64 105.16 3kzq s THR 47 Ca 0.84 -0.06 0.13 0.00 -1.21 0.00 0.00 61.69 61.39 3kzq s THR 47 Cb -0.66 -0.99 0.10 0.00 -1.51 0.00 0.00 72.50 69.44 3kzq s THR 47 CO 0.43 -0.03 0.91 0.59 -2.21 0.00 0.00 174.62 174.30 3kzq n ASN 48 N 0.43 2.07 -4.74 8.08 5.03 -1.26 -4.80 115.26 120.07 3kzq n ASN 48 Ca -0.18 -1.54 -0.41 0.00 0.87 0.00 0.00 54.58 53.32 3kzq n ASN 48 Cb 0.60 0.01 -0.03 0.00 -1.02 0.00 0.00 39.78 39.34 3kzq n ASN 48 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3kzq s LEU 49 N -1.10 4.42 0.42 3.41 1.43 -1.26 -4.98 118.68 121.01 3kzq s LEU 49 Ca 0.15 2.47 -0.25 0.00 -1.03 0.00 0.00 54.13 55.47 3kzq s LEU 49 Cb 0.11 -3.62 -0.08 0.00 0.03 0.00 0.00 46.19 42.63 3kzq s LEU 49 CO 0.17 -0.53 1.26 -2.16 0.23 0.00 0.00 176.35 175.31 3kzq s PRO 50 N -0.42 3.93 0.21 1.29 0.04 -1.26 -4.27 135.00 134.51 3kzq s PRO 50 Ca 0.55 2.05 -0.31 0.00 0.04 0.00 0.00 61.00 63.33 3kzq s PRO 50 Cb -0.37 -2.69 -0.11 0.00 0.04 0.00 0.00 34.50 31.37 3kzq s PRO 50 CO 0.41 -0.49 1.62 1.41 0.04 0.00 0.00 177.00 179.99 3kzq s MET 51 N -2.32 4.17 0.74 4.56 1.75 0.04 -4.89 119.30 123.35 3kzq s MET 51 Ca 0.58 2.48 -0.13 0.00 -1.25 0.00 0.00 55.69 57.37 3kzq s MET 51 Cb -0.36 -3.10 0.04 0.00 2.84 0.00 0.00 34.83 34.25 3kzq s MET 51 CO 0.45 -0.65 1.12 -1.25 -0.65 0.00 0.00 175.02 174.04 3kzq s PRO 52 N 0.78 2.32 0.42 4.11 0.04 -1.26 -4.80 135.00 136.61 3kzq s PRO 52 Ca 0.70 1.38 0.08 0.00 0.04 0.00 0.00 61.00 63.21 3kzq s PRO 52 Cb -0.46 -1.89 0.90 0.00 0.04 0.00 0.00 34.50 33.08 3kzq s PRO 52 CO 0.35 -1.62 2.05 -1.35 0.04 0.00 0.00 177.00 176.47 3kzq h PRO 53 N -0.63 0.43 -0.34 0.56 0.11 -2.00 -2.23 132.00 127.90 3kzq h PRO 53 Ca -0.45 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 3kzq h PRO 53 Cb 1.25 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 3kzq h PRO 53 CO 0.51 0.32 0.07 0.93 -0.21 0.00 0.00 178.00 179.62 3kzq h GLU 54 N 0.43 0.50 -0.05 1.05 5.08 -2.00 -1.94 114.58 117.66 3kzq h GLU 54 Ca 0.11 -0.08 -0.22 0.00 -1.00 0.00 0.00 59.36 58.17 3kzq h GLU 54 Cb 0.01 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3kzq h GLU 54 CO -0.02 0.47 -0.88 1.98 -1.00 0.00 0.00 179.01 179.57 3kzq h MET 55 N 0.49 0.51 -0.76 2.33 4.05 -1.77 -1.23 114.93 118.55 3kzq h MET 55 Ca 0.11 -0.49 0.01 0.00 -0.28 0.00 0.00 59.70 59.06 3kzq h MET 55 Cb 0.21 0.13 -0.04 0.00 -0.80 0.00 0.00 31.60 31.09 3kzq h MET 55 CO -0.00 1.13 0.50 1.96 0.23 0.00 0.00 176.91 180.72 3kzq h GLN 56 N 0.32 0.97 -0.27 0.39 4.20 -1.14 0.10 115.11 119.67 3kzq h GLN 56 Ca -0.07 -0.06 -0.18 0.00 0.06 0.00 0.00 58.65 58.40 3kzq h GLN 56 Cb 1.50 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 29.06 3kzq h GLN 56 CO 0.16 0.64 -0.54 1.96 -0.67 0.00 0.00 178.83 180.38 3kzq h GLN 57 N 1.00 0.82 0.02 1.46 4.20 -1.31 -1.12 115.11 120.17 3kzq h GLN 57 Ca 0.29 -0.51 0.03 0.00 0.06 0.00 0.00 58.65 58.51 3kzq h GLN 57 Cb -0.08 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.72 3kzq h GLN 57 CO -0.08 1.14 -0.21 -0.22 -0.67 0.00 0.00 178.83 178.80 3kzq h LYS 58 N 0.63 -0.34 -0.28 1.46 3.64 -0.88 -0.24 116.57 120.56 3kzq h LYS 58 Ca 0.02 0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.30 3kzq h LYS 58 Cb 1.14 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 3kzq h LYS 58 CO 0.12 -0.22 -0.31 -0.07 -2.27 0.00 0.00 179.45 176.69 3kzq h LEU 59 N -0.35 0.60 -0.93 5.20 3.38 -0.87 -1.50 115.31 120.84 3kzq h LEU 59 Ca 0.06 -0.23 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 3kzq h LEU 59 Cb 0.42 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3kzq h LEU 59 CO -0.19 0.88 -0.33 -0.08 0.09 0.00 0.00 178.44 178.81 3kzq h GLU 60 N 0.50 0.39 -0.76 1.13 4.81 -1.11 -1.29 114.58 118.24 3kzq h GLU 60 Ca 0.06 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 3kzq h GLU 60 Cb 0.79 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.12 3kzq h GLU 60 CO 0.06 0.67 0.42 0.78 -0.73 0.00 0.00 179.01 180.22 3kzq h GLY 61 N 1.09 1.12 0.98 1.92 0.00 -0.44 -2.22 103.07 105.52 3kzq h GLY 61 Ca 0.04 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 3kzq h GLY 61 CO 0.06 0.47 0.24 -2.22 0.00 0.00 0.00 176.54 175.09 3kzq h ILE 62 N 1.06 1.21 -0.46 2.60 1.08 -0.70 -1.97 117.51 120.33 3kzq h ILE 62 Ca 0.27 -0.65 0.09 0.00 -0.39 0.00 0.00 64.86 64.18 3kzq h ILE 62 Cb 0.01 0.61 -0.08 0.00 -3.07 0.00 0.00 36.82 34.30 3kzq h ILE 62 CO -0.05 0.25 -0.00 -0.50 -0.69 0.00 0.00 178.15 177.16 3kzq h TRP 63 N 0.75 -0.03 -0.37 1.37 4.06 -0.86 0.12 115.95 120.99 3kzq h TRP 63 Ca 0.19 0.03 0.03 0.00 2.06 0.00 0.00 58.89 61.20 3kzq h TRP 63 Cb 0.17 0.09 -0.03 0.00 -1.00 0.00 0.00 29.16 28.38 3kzq h TRP 63 CO 0.00 -0.10 0.17 0.87 -3.56 0.00 0.00 178.44 175.82 3kzq h LYS 64 N 0.11 0.35 -0.52 0.49 6.56 -1.08 -0.19 116.57 122.28 3kzq h LYS 64 Ca 0.23 -0.02 -0.02 0.00 -1.06 0.00 0.00 60.65 59.78 3kzq h LYS 64 Cb 0.34 -0.08 -0.03 0.00 -0.57 0.00 0.00 32.23 31.89 3kzq h LYS 64 CO -0.38 0.23 0.24 0.37 -2.06 0.00 0.00 179.45 177.85 3kzq h GLN 65 N 0.36 0.73 -0.23 3.15 4.15 -0.92 -0.13 115.11 122.22 3kzq h GLN 65 Ca 0.16 -0.09 -0.10 0.00 0.77 0.00 0.00 58.65 59.39 3kzq h GLN 65 Cb 0.09 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 27.63 3kzq h GLN 65 CO -0.12 0.58 -0.25 0.82 -1.93 0.00 0.00 178.83 177.93 3kzq h ILE 66 N 0.74 1.32 -0.51 2.39 2.04 -0.06 -1.35 117.51 122.08 3kzq h ILE 66 Ca 0.18 -1.42 0.10 0.00 1.00 0.00 0.00 64.86 64.73 3kzq h ILE 66 Cb 0.09 1.70 -0.09 0.00 -0.74 0.00 0.00 36.82 37.78 3kzq h ILE 66 CO -0.02 0.44 -0.08 -0.08 0.00 0.00 0.00 178.15 178.41 3kzq h GLU 67 N 0.28 0.04 0.15 2.37 4.81 -0.69 0.19 114.58 121.73 3kzq h GLU 67 Ca 0.04 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 3kzq h GLU 67 Cb 0.81 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.18 3kzq h GLU 67 CO 0.06 0.03 -0.07 1.15 -0.73 0.00 0.00 179.01 179.44 3kzq h THR 68 N 0.04 0.96 -0.23 0.32 2.02 -0.83 0.19 112.91 115.38 3kzq h THR 68 Ca 0.25 -0.51 -0.20 0.00 0.77 0.00 0.00 66.41 66.73 3kzq h THR 68 Cb 0.39 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 3kzq h THR 68 CO -0.49 0.12 -0.63 -0.61 0.37 0.00 0.00 175.52 174.28 3kzq h GLN 69 N -0.45 0.80 -0.00 6.66 4.15 -1.05 -3.37 115.11 121.86 3kzq h GLN 69 Ca -0.02 -0.56 0.00 0.00 0.77 0.00 0.00 58.65 58.84 3kzq h GLN 69 Cb 0.35 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.13 3kzq h GLN 69 CO 0.03 1.18 -0.47 1.28 -1.93 0.00 0.00 178.83 178.92 3kzq n LEU 70 N -3.97 0.50 -0.01 -2.39 4.77 0.63 -5.01 117.00 111.52 3kzq n LEU 70 Ca -0.05 -0.51 -0.00 0.00 -0.03 0.00 0.00 56.01 55.42 3kzq n LEU 70 Cb 0.67 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.76 3kzq n LEU 70 CO 0.51 0.12 -0.00 0.61 -1.33 0.00 0.00 177.39 177.30 3kzq n GLY 71 N 1.23 0.45 3.77 -0.72 0.00 0.67 -5.01 105.19 105.59 3kzq n GLY 71 Ca 0.02 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 3kzq n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kzq s THR 72 N -1.91 2.07 0.08 2.61 2.01 -1.26 -4.98 115.64 114.27 3kzq s THR 72 Ca 0.00 0.06 -0.24 0.00 0.31 0.00 0.00 61.69 61.82 3kzq s THR 72 Cb 0.00 -3.04 -0.06 0.00 0.01 0.00 0.00 72.50 69.41 3kzq s THR 72 CO 0.00 0.01 0.74 -0.54 -0.69 0.00 0.00 174.62 174.14 3kzq s LYS 73 N -2.38 4.48 -0.00 4.92 1.02 -1.26 -4.43 119.74 122.08 3kzq s LYS 73 Ca 0.59 1.04 0.01 0.00 0.02 0.00 0.00 55.97 57.63 3kzq s LYS 73 Cb -0.44 -3.32 -0.00 0.00 -0.52 0.00 0.00 37.83 33.55 3kzq s LYS 73 CO 0.58 0.42 -0.04 -0.06 -0.92 0.00 0.00 175.35 175.32 3kzq s PHE 74 N -0.51 0.36 -0.51 3.18 0.08 -1.26 -4.84 117.98 114.48 3kzq s PHE 74 Ca 0.36 -0.10 -0.17 0.00 0.12 0.00 0.00 56.93 57.14 3kzq s PHE 74 Cb -0.21 -0.23 0.08 0.00 -0.57 0.00 0.00 43.02 42.09 3kzq s PHE 74 CO 0.23 -0.01 0.53 1.21 -0.10 0.00 0.00 175.22 177.08 3kzq s ASN 75 N -0.20 6.18 0.00 1.36 2.47 0.75 -4.93 114.94 120.58 3kzq s ASN 75 Ca 0.01 -1.27 0.03 0.00 0.42 0.00 0.00 52.86 52.05 3kzq s ASN 75 Cb -0.02 -2.24 0.12 0.00 -1.45 0.00 0.00 41.25 37.66 3kzq s ASN 75 CO -0.00 -0.82 1.07 -1.22 -3.72 0.00 0.00 177.10 172.41 3kzq n TYR 76 N 5.68 0.00 0.27 0.43 4.01 -1.26 -2.93 117.16 123.36 3kzq n TYR 76 Ca -0.10 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.76 3kzq n TYR 76 Cb 0.44 -0.48 0.76 0.00 -0.31 0.00 0.00 39.34 39.74 3kzq n TYR 76 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3kzq h ASP 77 N 0.00 0.00 -0.95 7.72 3.32 -1.95 -2.47 116.42 122.08 3kzq h ASP 77 Ca 0.00 0.00 0.26 0.00 0.02 0.00 0.00 57.03 57.31 3kzq h ASP 77 Cb 0.04 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 39.42 3kzq h ASP 77 CO 0.00 0.07 0.02 0.33 -1.72 0.00 0.00 179.24 177.94 3kzq n PHE 78 N -3.91 0.60 0.23 4.55 7.35 -1.15 -0.69 117.46 124.45 3kzq n PHE 78 Ca -0.02 1.15 0.11 0.00 -0.76 0.00 0.00 57.45 57.92 3kzq n PHE 78 Cb 0.16 -1.21 0.51 0.00 0.35 0.00 0.00 39.48 39.29 3kzq n PHE 78 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 3kzq h TRP 79 N 0.00 0.00 0.00 -5.13 4.06 -1.74 -1.94 115.95 111.21 3kzq h TRP 79 Ca 0.58 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 61.43 3kzq h TRP 79 Cb 1.18 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.33 3kzq h TRP 79 CO -0.49 0.20 -1.97 0.36 -3.56 0.00 0.00 178.44 172.98 3kzq n LYS 80 N -3.41 0.66 0.01 0.49 2.85 -0.41 -4.65 118.16 113.69 3kzq n LYS 80 Ca -0.00 -0.11 0.04 0.00 -1.05 0.00 0.00 58.31 57.19 3kzq n LYS 80 Cb 0.39 -1.56 -0.11 0.00 -0.65 0.00 0.00 35.03 33.10 3kzq n LYS 80 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3kzq n LEU 81 N -2.44 0.40 -4.85 -5.58 4.77 0.14 -4.97 117.00 104.47 3kzq n LEU 81 Ca -0.10 0.17 -0.21 0.00 -0.03 0.00 0.00 56.01 55.83 3kzq n LEU 81 Cb 0.71 0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 41.87 3kzq n LEU 81 CO 0.45 0.10 -0.07 0.00 -1.33 0.00 0.00 177.39 176.54 3kzq s THR 83 N -2.35 5.18 0.42 0.00 2.01 -1.26 -4.85 115.64 114.79 3kzq s THR 83 Ca 0.42 -1.27 -0.24 0.00 0.31 0.00 0.00 61.69 60.91 3kzq s THR 83 Cb -0.05 -4.28 -0.08 0.00 0.01 0.00 0.00 72.50 68.10 3kzq s THR 83 CO 0.27 -0.79 1.14 -2.84 -0.69 0.00 0.00 174.62 171.71 3kzq s PRO 84 N 1.74 3.96 -0.06 4.92 0.02 -1.26 -4.91 135.00 139.41 3kzq s PRO 84 Ca 0.04 1.74 0.04 0.00 0.02 0.00 0.00 61.00 62.84 3kzq s PRO 84 Cb -0.27 -2.54 0.00 0.00 0.02 0.00 0.00 34.50 31.71 3kzq s PRO 84 CO 0.05 -0.37 -0.17 0.08 -0.33 0.00 0.00 177.00 176.26 3kzq s VAL 85 N -1.52 1.44 -1.32 3.83 1.01 -1.26 -0.78 120.40 121.80 3kzq s VAL 85 Ca 0.60 -0.69 -0.15 0.00 0.00 0.00 0.00 61.98 61.74 3kzq s VAL 85 Cb -0.28 -1.26 0.09 0.00 0.00 0.00 0.00 36.38 34.93 3kzq s VAL 85 CO 0.35 0.42 1.83 -1.14 0.00 0.00 0.00 175.10 176.56 3kzq n ARG 86 N 3.43 3.19 -3.67 2.72 3.00 -1.26 -4.83 116.66 119.23 3kzq n ARG 86 Ca -0.20 -3.23 -0.08 0.00 -0.00 0.00 0.00 57.85 54.34 3kzq n ARG 86 Cb 0.53 -3.29 -0.09 0.00 0.00 0.00 0.00 32.46 29.60 3kzq n ARG 86 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3kzq s SER 87 N 3.29 -0.50 0.00 6.15 0.15 -1.26 -4.67 113.70 116.86 3kzq s SER 87 Ca 0.48 1.07 0.00 0.00 0.70 0.00 0.00 55.95 58.20 3kzq s SER 87 Cb 0.06 1.26 0.00 0.00 -1.71 0.00 0.00 66.02 65.63 3kzq s SER 87 CO 0.01 -0.22 0.18 0.35 1.20 0.00 0.00 173.24 174.77 3kzq n THR 88 N 4.91 0.00 -0.26 6.45 -2.24 0.70 -4.73 114.28 119.11 3kzq n THR 88 Ca -0.15 -0.49 -0.04 0.00 -2.27 0.00 0.00 64.05 61.10 3kzq n THR 88 Cb 0.52 1.00 0.12 0.00 -2.10 0.00 0.00 70.33 69.88 3kzq n THR 88 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 3kzq h TYR 89 N 0.00 1.11 -0.57 4.78 -1.99 -1.77 -2.12 116.97 116.41 3kzq h TYR 89 Ca 0.00 -0.06 -0.09 0.00 2.00 0.00 0.00 58.73 60.57 3kzq h TYR 89 Cb 0.00 -0.34 -0.02 0.00 2.00 0.00 0.00 36.73 38.37 3kzq h TYR 89 CO 0.00 0.82 -0.02 0.37 -0.00 0.00 0.00 178.16 179.33 3kzq h GLN 90 N 1.09 1.00 -0.57 4.88 5.75 -1.89 -0.11 115.11 125.25 3kzq h GLN 90 Ca 0.26 -0.32 -0.06 0.00 -0.15 0.00 0.00 58.65 58.38 3kzq h GLN 90 Cb 0.15 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.59 3kzq h GLN 90 CO -0.03 0.99 0.10 0.66 -2.65 0.00 0.00 178.83 177.91 3kzq h SER 91 N 0.91 0.86 -0.45 -0.69 4.64 -1.68 -1.31 113.55 115.83 3kzq h SER 91 Ca 0.16 -0.18 0.03 0.00 -0.47 0.00 0.00 61.79 61.33 3kzq h SER 91 Cb 0.56 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.39 3kzq h SER 91 CO 0.03 0.86 0.24 0.00 -0.87 0.00 0.00 176.83 177.09 3kzq h ARG 93 N 0.49 0.70 -0.68 0.00 3.08 -0.54 -1.40 114.38 116.03 3kzq h ARG 93 Ca 0.19 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.16 3kzq h ARG 93 Cb 0.06 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.93 3kzq h ARG 93 CO -0.11 0.46 0.27 0.00 -1.07 0.00 0.00 179.97 179.52 3kzq h ALA 94 N 1.34 0.89 -0.39 0.04 0.00 -1.03 0.10 119.26 120.22 3kzq h ALA 94 Ca 0.30 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3kzq h ALA 94 Cb 0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3kzq h ALA 94 CO -0.17 0.50 0.02 0.28 0.00 0.00 0.00 179.25 179.88 3kzq h VAL 95 N 0.97 1.25 -0.85 0.00 2.07 -1.02 -1.36 116.25 117.32 3kzq h VAL 95 Ca 0.23 -0.96 0.03 0.00 0.82 0.00 0.00 66.70 66.81 3kzq h VAL 95 Cb 0.21 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 3kzq h VAL 95 CO -0.02 0.32 0.55 0.40 0.02 0.00 0.00 177.57 178.84 3kzq h ILE 96 N 0.50 1.15 -0.10 4.57 2.04 -0.91 -1.24 117.51 123.53 3kzq h ILE 96 Ca 0.11 -0.37 -0.13 0.00 1.00 0.00 0.00 64.86 65.47 3kzq h ILE 96 Cb 0.44 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 3kzq h ILE 96 CO 0.02 0.20 -0.52 0.00 0.00 0.00 0.00 178.15 177.85 3kzq h ALA 97 N 1.34 0.94 -0.16 1.87 0.00 -0.57 -1.67 119.26 121.01 3kzq h ALA 97 Ca 0.33 -0.49 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 3kzq h ALA 97 Cb -0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3kzq h ALA 97 CO -0.10 0.67 -0.32 0.00 0.00 0.00 0.00 179.25 179.49 3kzq h ALA 98 N 1.25 1.15 0.00 0.00 0.00 -0.93 -2.29 119.26 118.44 3kzq h ALA 98 Ca 0.01 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 3kzq h ALA 98 Cb 0.99 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 3kzq h ALA 98 CO 0.08 0.55 -0.00 0.78 0.00 0.00 0.00 179.25 180.66 3kzq h GLY 99 N 1.08 0.00 2.00 0.00 0.00 -0.28 0.85 103.07 106.72 3kzq h GLY 99 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 3kzq h GLY 99 CO 0.05 0.00 -0.08 0.74 0.00 0.00 0.00 176.54 177.26 3kzq h PHE 100 N 0.00 0.00 -0.62 5.60 0.04 -1.06 -2.45 116.94 118.45 3kzq h PHE 100 Ca -0.00 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.45 3kzq h PHE 100 Cb 0.00 0.00 -0.19 0.00 2.20 0.00 0.00 35.95 37.96 3kzq h PHE 100 CO 0.00 0.08 0.22 1.04 -0.60 0.00 0.00 178.31 179.05 3kzq n GLN 101 N -3.19 2.00 -3.54 1.51 6.02 0.18 -4.94 117.38 115.42 3kzq n GLN 101 Ca 0.01 -3.12 -0.26 0.00 -0.01 0.00 0.00 57.00 53.61 3kzq n GLN 101 Cb 0.37 -1.97 0.02 0.00 1.02 0.00 0.00 30.24 29.68 3kzq n GLN 101 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3kzq n ASP 102 N -1.14 -4.64 -1.70 1.08 8.00 -0.92 -4.89 116.55 112.34 3kzq n ASP 102 Ca 0.44 -0.54 -0.01 0.00 0.71 0.00 0.00 54.79 55.40 3kzq n ASP 102 Cb 1.30 -3.76 0.07 0.00 -0.02 0.00 0.00 41.12 38.72 3kzq n ASP 102 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3kzq n SER 103 N -2.56 1.91 0.04 -2.24 7.64 -0.53 -4.86 113.62 113.01 3kzq n SER 103 Ca -0.01 -2.72 -0.11 0.00 1.01 0.00 0.00 58.87 57.05 3kzq n SER 103 Cb 0.55 -0.40 -0.04 0.00 -1.01 0.00 0.00 64.21 63.30 3kzq n SER 103 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 3kzq h TYR 104 N 1.57 -0.53 -0.20 1.43 3.20 -1.80 -1.63 116.97 119.02 3kzq h TYR 104 Ca -0.06 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.70 3kzq h TYR 104 Cb 1.48 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.98 3kzq h TYR 104 CO 0.50 -0.28 -0.41 0.93 -1.64 0.00 0.00 178.16 177.26 3kzq h GLU 105 N -0.30 0.47 -0.68 1.82 5.08 -1.91 -0.70 114.58 118.36 3kzq h GLU 105 Ca 0.07 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.13 3kzq h GLU 105 Cb 0.40 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 3kzq h GLU 105 CO -0.21 0.80 0.15 1.96 -1.00 0.00 0.00 179.01 180.70 3kzq h GLN 106 N 0.39 1.09 0.03 2.33 7.50 -1.88 -1.43 115.11 123.13 3kzq h GLN 106 Ca 0.03 -0.27 -0.24 0.00 0.50 0.00 0.00 58.65 58.68 3kzq h GLN 106 Cb 0.88 -0.14 0.02 0.00 0.05 0.00 0.00 27.48 28.29 3kzq h GLN 106 CO 0.07 0.97 -0.94 1.98 -1.50 0.00 0.00 178.83 179.42 3kzq h MET 107 N 1.03 0.59 -0.03 1.46 4.05 -1.04 -1.40 114.93 119.58 3kzq h MET 107 Ca 0.21 -0.67 0.03 0.00 -0.28 0.00 0.00 59.70 59.00 3kzq h MET 107 Cb 0.39 0.20 -0.04 0.00 -0.80 0.00 0.00 31.60 31.34 3kzq h MET 107 CO 0.01 1.27 -0.22 1.25 0.23 0.00 0.00 176.91 179.45 3kzq h LEU 108 N 0.19 -0.66 -0.66 3.39 5.85 -1.04 0.88 115.31 123.26 3kzq h LEU 108 Ca -0.13 0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 3kzq h LEU 108 Cb 1.62 0.28 -0.03 0.00 0.37 0.00 0.00 40.66 42.90 3kzq h LEU 108 CO 0.18 -0.28 0.12 -0.08 -0.34 0.00 0.00 178.44 178.04 3kzq h GLU 109 N -0.33 1.09 -0.58 1.25 4.81 -1.22 -1.87 114.58 117.72 3kzq h GLU 109 Ca 0.07 -0.29 0.09 0.00 -0.13 0.00 0.00 59.36 59.10 3kzq h GLU 109 Cb 0.43 -0.13 -0.07 0.00 0.63 0.00 0.00 28.75 29.61 3kzq h GLU 109 CO -0.22 1.00 0.21 0.00 -0.73 0.00 0.00 179.01 179.26 3kzq h ALA 110 N 1.05 0.73 -0.39 2.92 0.00 -0.96 0.11 119.26 122.73 3kzq h ALA 110 Ca 0.20 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 3kzq h ALA 110 Cb 0.43 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3kzq h ALA 110 CO 0.01 -0.21 -0.02 0.82 0.00 0.00 0.00 179.25 179.86 3kzq h ILE 111 N 0.38 1.26 -0.24 0.00 2.04 -0.62 -0.19 117.51 120.15 3kzq h ILE 111 Ca 0.29 -1.04 0.04 0.00 1.00 0.00 0.00 64.86 65.16 3kzq h ILE 111 Cb 0.35 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 3kzq h ILE 111 CO -0.30 0.35 -0.02 1.56 0.00 0.00 0.00 178.15 179.74 3kzq h GLN 112 N 0.52 0.05 -0.40 2.37 4.20 -0.96 -0.71 115.11 120.17 3kzq h GLN 112 Ca 0.11 -0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.76 3kzq h GLN 112 Cb 0.50 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 3kzq h GLN 112 CO 0.02 0.03 0.01 0.45 -0.67 0.00 0.00 178.83 178.67 3kzq h HIS 113 N 0.05 0.66 -0.77 2.96 3.86 -0.71 0.46 115.15 121.66 3kzq h HIS 113 Ca 0.11 -0.08 -0.04 0.00 -1.16 0.00 0.00 60.37 59.21 3kzq h HIS 113 Cb 0.16 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.40 3kzq h HIS 113 CO -0.21 0.63 0.33 0.00 0.86 0.00 0.00 177.93 179.54 3kzq h ALA 114 N 1.41 1.00 0.01 2.45 0.00 -0.58 0.80 119.26 124.35 3kzq h ALA 114 Ca 0.13 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3kzq h ALA 114 Cb 0.37 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3kzq h ALA 114 CO 0.01 0.60 -0.13 -0.92 0.00 0.00 0.00 179.25 178.82 3kzq h TYR 115 N 1.10 0.04 0.00 0.00 3.20 -0.92 -0.33 116.97 120.06 3kzq h TYR 115 Ca 0.26 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.10 3kzq h TYR 115 Cb 0.18 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.45 3kzq h TYR 115 CO 0.02 1.05 -1.35 0.66 -1.64 0.00 0.00 178.16 176.89 3kzq n TYR 116 N -4.57 0.56 0.00 -3.82 4.01 0.13 -4.21 117.16 109.27 3kzq n TYR 116 Ca -0.11 0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 3kzq n TYR 116 Cb 0.52 -0.75 0.00 0.00 -0.31 0.00 0.00 39.34 38.80 3kzq n TYR 116 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3kzq n LEU 117 N -2.46 1.88 -0.69 7.72 4.77 0.06 -0.18 117.00 128.10 3kzq n LEU 117 Ca -0.01 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.10 3kzq n LEU 117 Cb 0.54 0.00 0.34 0.00 -2.33 0.00 0.00 43.42 41.97 3kzq n LEU 117 CO 0.42 0.31 0.76 0.54 -1.33 0.00 0.00 177.39 178.10 3kzq n ARG 118 N -2.28 1.96 -3.87 3.23 1.74 0.05 -4.57 116.66 112.92 3kzq n ARG 118 Ca 0.00 -1.40 -0.38 0.00 -0.77 0.00 0.00 57.85 55.30 3kzq n ARG 118 Cb 0.48 -1.47 0.03 0.00 -1.02 0.00 0.00 32.46 30.48 3kzq n ARG 118 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kzq n ALA 119 N 0.70 -2.56 -2.39 7.54 0.00 -1.08 -4.98 120.51 117.74 3kzq n ALA 119 Ca 0.17 -0.40 -0.29 0.00 0.00 0.00 0.00 53.44 52.92 3kzq n ALA 119 Cb 0.46 -3.36 -0.14 0.00 0.00 0.00 0.00 19.45 16.42 3kzq n ALA 119 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3kzq s MET 120 N -6.67 1.54 -0.33 0.00 -1.94 -0.16 -4.79 119.30 106.95 3kzq s MET 120 Ca 0.46 -1.21 -0.29 0.00 -1.71 0.00 0.00 55.69 52.95 3kzq s MET 120 Cb -0.21 -1.86 -0.01 0.00 2.01 0.00 0.00 34.83 34.76 3kzq s MET 120 CO 0.91 0.46 1.60 -1.25 -0.01 0.00 0.00 175.02 176.74 3kzq s PRO 121 N -1.65 3.55 0.48 2.03 0.04 -1.26 -4.17 135.00 134.02 3kzq s PRO 121 Ca 0.12 1.30 0.32 0.00 0.04 0.00 0.00 61.00 62.79 3kzq s PRO 121 Cb -0.10 -4.09 1.40 0.00 0.04 0.00 0.00 34.50 31.75 3kzq s PRO 121 CO 0.04 -1.60 1.95 -1.00 0.04 0.00 0.00 177.00 176.44 3kzq h PRO 122 N 11.48 0.00 -0.01 0.56 0.13 -1.92 -3.05 132.00 139.19 3kzq h PRO 122 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3kzq h PRO 122 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3kzq h PRO 122 CO 1.04 0.00 -0.22 -2.39 -0.23 0.00 0.00 178.00 176.20 3kzq n HIS 123 N -2.84 0.00 -3.53 1.56 1.44 -1.26 -4.44 115.22 106.14 3kzq n HIS 123 Ca 0.00 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.35 3kzq n HIS 123 Cb 0.25 -0.04 -0.06 0.00 0.12 0.00 0.00 29.99 30.25 3kzq n HIS 123 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3kzq s GLU 124 N -2.31 3.84 0.22 -1.40 0.41 -1.15 -4.79 118.70 113.51 3kzq s GLU 124 Ca 0.26 0.29 -0.17 0.00 -0.41 0.00 0.00 54.97 54.94 3kzq s GLU 124 Cb 0.19 -3.09 0.22 0.00 -1.78 0.00 0.00 34.13 29.68 3kzq s GLU 124 CO 0.46 0.61 1.58 1.49 -0.49 0.00 0.00 175.26 178.91 3kzq h GLU 125 N 4.13 -0.07 -0.90 1.61 4.81 -1.93 -2.43 114.58 119.81 3kzq h GLU 125 Ca -0.50 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 58.82 3kzq h GLU 125 Cb 1.20 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.54 3kzq h GLU 125 CO 0.64 -0.05 0.58 0.00 -0.73 0.00 0.00 179.01 179.46 3kzq h ALA 126 N 1.32 1.58 0.00 2.92 0.00 -1.94 -2.10 119.26 121.04 3kzq h ALA 126 Ca 0.31 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 3kzq h ALA 126 Cb 0.58 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3kzq h ALA 126 CO -0.82 0.25 -0.00 1.15 0.00 0.00 0.00 179.25 179.83 3kzq h THR 127 N 0.94 1.19 -0.90 0.00 2.02 -1.71 -1.56 112.91 112.90 3kzq h THR 127 Ca 0.41 -0.57 0.08 0.00 0.77 0.00 0.00 66.41 67.09 3kzq h THR 127 Cb 0.32 1.58 -0.06 0.00 -1.74 0.00 0.00 68.15 68.25 3kzq h THR 127 CO -0.17 0.15 0.58 0.45 0.37 0.00 0.00 175.52 176.91 3kzq h HIS 128 N -0.25 1.02 -0.02 3.16 3.86 -1.00 -0.40 115.15 121.53 3kzq h HIS 128 Ca -0.00 0.03 -0.25 0.00 -1.16 0.00 0.00 60.37 58.99 3kzq h HIS 128 Cb 0.24 -0.33 0.01 0.00 1.06 0.00 0.00 27.41 28.40 3kzq h HIS 128 CO 0.01 0.51 -0.97 -0.07 0.86 0.00 0.00 177.93 178.26 3kzq h LEU 129 N 0.98 0.78 -0.46 2.43 3.38 -1.35 0.17 115.31 121.24 3kzq h LEU 129 Ca 0.40 -0.61 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 3kzq h LEU 129 Cb 0.27 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3kzq h LEU 129 CO -0.16 1.41 0.27 -0.61 0.09 0.00 0.00 178.44 179.43 3kzq h GLN 130 N 0.36 0.63 -0.68 1.13 4.15 -0.58 -2.31 115.11 117.80 3kzq h GLN 130 Ca -0.10 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.26 3kzq h GLN 130 Cb 1.61 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 29.14 3kzq h GLN 130 CO 0.18 0.48 0.43 -0.07 -1.93 0.00 0.00 178.83 177.92 3kzq h LEU 131 N 0.60 0.79 -0.69 -2.39 3.38 -0.96 0.50 115.31 116.54 3kzq h LEU 131 Ca 0.16 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.12 3kzq h LEU 131 Cb 0.02 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 3kzq h LEU 131 CO -0.03 0.59 0.43 0.00 0.09 0.00 0.00 178.44 179.53 3kzq h ALA 132 N 1.23 0.89 0.07 1.53 0.00 -0.85 0.54 119.26 122.67 3kzq h ALA 132 Ca 0.25 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3kzq h ALA 132 Cb -0.07 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.49 3kzq h ALA 132 CO -0.05 0.22 -0.03 -0.22 0.00 0.00 0.00 179.25 179.16 3kzq h LYS 133 N 0.86 -0.09 -0.90 0.00 3.64 -1.20 0.15 116.57 119.03 3kzq h LYS 133 Ca 0.27 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.78 3kzq h LYS 133 Cb -0.00 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 31.75 3kzq h LYS 133 CO -0.10 0.02 0.53 0.93 -2.27 0.00 0.00 179.45 178.55 3kzq h GLU 134 N -0.18 0.78 -0.10 1.90 5.08 -0.08 -1.28 114.58 120.71 3kzq h GLU 134 Ca -0.01 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3kzq h GLU 134 Cb 0.15 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3kzq h GLU 134 CO 0.02 0.52 0.00 0.44 -1.00 0.00 0.00 179.01 178.98 3kzq n ILE 135 N -4.74 0.11 -1.22 3.13 -5.35 0.10 -4.92 119.36 106.47 3kzq n ILE 135 Ca 0.17 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 3kzq n ILE 135 Cb 0.37 0.46 0.00 0.00 -1.74 0.00 0.00 39.64 38.73 3kzq n ILE 135 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kzq n GLY 136 N 1.16 0.75 3.76 3.28 0.00 -0.48 -5.07 105.19 108.60 3kzq n GLY 136 Ca 0.18 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 3kzq n GLY 136 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kzq s LEU 137 N 0.00 3.48 -0.51 0.99 1.43 0.02 -4.95 118.68 119.13 3kzq s LEU 137 Ca 0.00 2.12 -0.27 0.00 -1.03 0.00 0.00 54.13 54.96 3kzq s LEU 137 Cb 0.00 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.61 3kzq s LEU 137 CO 0.00 -1.64 2.12 0.21 0.23 0.00 0.00 176.35 177.27 3kzq s ASN 138 N -2.25 4.96 0.11 2.29 3.84 -1.26 -4.73 114.94 117.90 3kzq s ASN 138 Ca 0.70 0.83 -0.18 0.00 0.21 0.00 0.00 52.86 54.42 3kzq s ASN 138 Cb -0.23 -2.52 -0.05 0.00 -0.55 0.00 0.00 41.25 37.90 3kzq s ASN 138 CO 0.38 -2.52 1.69 0.58 -2.79 0.00 0.00 177.10 174.44 3kzq h VAL 139 N 7.25 1.15 -0.77 -5.21 2.07 -1.92 -1.35 116.25 117.47 3kzq h VAL 139 Ca -0.27 -0.43 0.08 0.00 0.82 0.00 0.00 66.70 66.91 3kzq h VAL 139 Cb 1.21 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 31.84 3kzq h VAL 139 CO 1.16 0.15 0.43 -0.61 0.02 0.00 0.00 177.57 178.72 3kzq h GLN 140 N 0.32 0.72 0.00 1.57 5.75 -1.99 -0.07 115.11 121.40 3kzq h GLN 140 Ca 0.10 -0.04 -0.14 0.00 -0.15 0.00 0.00 58.65 58.41 3kzq h GLN 140 Cb 0.12 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.49 3kzq h GLN 140 CO -0.01 0.47 -0.67 -0.56 -2.65 0.00 0.00 178.83 175.41 3kzq h GLN 141 N 0.74 0.00 -0.09 1.69 3.07 -1.85 -0.10 115.11 118.57 3kzq h GLN 141 Ca 0.36 0.00 0.02 0.00 0.09 0.00 0.00 58.65 59.13 3kzq h GLN 141 Cb 0.31 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.85 3kzq h GLN 141 CO -0.23 0.67 -0.05 0.35 0.09 0.00 0.00 178.83 179.66 3kzq h PHE 142 N 0.00 -0.13 -0.28 0.06 3.57 -0.81 0.30 116.94 119.65 3kzq h PHE 142 Ca -0.01 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 3kzq h PHE 142 Cb 1.40 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 40.19 3kzq h PHE 142 CO 0.00 -0.09 0.15 -0.22 -2.23 0.00 0.00 178.31 175.93 3kzq h LYS 143 N -0.06 0.39 -0.84 1.11 3.64 -0.78 0.90 116.57 120.92 3kzq h LYS 143 Ca 0.05 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 3kzq h LYS 143 Cb 0.14 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.83 3kzq h LYS 143 CO -0.12 0.34 0.56 -0.91 -2.27 0.00 0.00 179.45 177.05 3kzq h ASN 144 N 0.34 0.94 -0.29 4.20 2.35 -0.77 -2.89 115.58 119.45 3kzq h ASN 144 Ca 0.10 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.78 3kzq h ASN 144 Cb 0.06 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 3kzq h ASN 144 CO -0.02 0.66 -0.03 0.44 -1.65 0.00 0.00 177.43 176.84 3kzq h ASP 145 N 1.10 0.52 -0.79 5.81 3.32 0.15 -3.14 116.42 123.39 3kzq h ASP 145 Ca 0.32 -0.33 0.21 0.00 0.02 0.00 0.00 57.03 57.25 3kzq h ASP 145 Cb -0.06 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.31 3kzq h ASP 145 CO -0.08 0.73 0.56 0.24 -1.72 0.00 0.00 179.24 178.96 3kzq h MET 146 N 0.30 0.13 -0.43 3.56 2.86 -0.62 -2.01 114.93 118.72 3kzq h MET 146 Ca 0.08 -0.01 -0.13 0.00 -2.06 0.00 0.00 59.70 57.58 3kzq h MET 146 Cb 0.48 -0.03 -0.08 0.00 0.06 0.00 0.00 31.60 32.03 3kzq h MET 146 CO 0.02 0.09 0.06 -0.40 1.06 0.00 0.00 176.91 177.74 3kzq n ASP 147 N -4.37 3.65 -5.00 1.22 5.68 -1.19 -4.88 116.55 111.66 3kzq n ASP 147 Ca 0.16 -3.33 -0.18 0.00 -0.50 0.00 0.00 54.79 50.94 3kzq n ASP 147 Cb 0.77 -0.63 0.01 0.00 -1.14 0.00 0.00 41.12 40.13 3kzq n ASP 147 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 3kzq s GLY 148 N -1.90 1.88 0.37 6.12 0.00 -0.76 -5.02 107.32 108.00 3kzq s GLY 148 Ca 0.46 -1.57 0.24 0.00 0.00 0.00 0.00 44.72 43.85 3kzq s GLY 148 CO 0.07 -1.39 1.62 -0.91 0.00 0.00 0.00 173.10 172.49 3kzq h THR 149 N 0.57 0.00 0.13 0.90 1.35 -1.94 -2.88 112.91 111.03 3kzq h THR 149 Ca -0.41 -0.86 -0.01 0.00 -0.55 0.00 0.00 66.41 64.58 3kzq h THR 149 Cb 1.28 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.54 3kzq h THR 149 CO 0.47 0.00 -0.06 0.25 -0.25 0.00 0.00 175.52 175.93 3kzq h LEU 150 N 0.00 -0.15 -0.67 3.87 5.85 -1.95 -1.31 115.31 120.96 3kzq h LEU 150 Ca 0.00 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3kzq h LEU 150 Cb 0.93 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 3kzq h LEU 150 CO 0.00 -0.04 0.40 0.25 -0.34 0.00 0.00 178.44 178.71 3kzq h LEU 151 N -0.24 0.81 -0.49 2.25 5.85 -1.76 -0.83 115.31 120.89 3kzq h LEU 151 Ca -0.02 -0.07 -0.13 0.00 0.84 0.00 0.00 57.88 58.50 3kzq h LEU 151 Cb 0.19 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 3kzq h LEU 151 CO 0.03 0.64 -0.21 -0.08 -0.34 0.00 0.00 178.44 178.48 3kzq h GLU 152 N 0.91 1.01 -0.68 1.25 4.57 -1.49 -0.30 114.58 119.84 3kzq h GLU 152 Ca 0.24 -0.43 -0.05 0.00 -1.18 0.00 0.00 59.36 57.94 3kzq h GLU 152 Cb -0.02 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.51 3kzq h GLU 152 CO -0.04 1.11 0.22 0.78 -1.18 0.00 0.00 179.01 179.89 3kzq h GLY 153 N 0.87 1.12 0.90 1.92 0.00 -1.05 -0.28 103.07 106.54 3kzq h GLY 153 Ca 0.11 -0.63 -0.02 0.00 0.00 0.00 0.00 47.33 46.79 3kzq h GLY 153 CO 0.07 0.59 0.09 -2.08 0.00 0.00 0.00 176.54 175.21 3kzq h VAL 154 N 1.00 1.19 -0.11 4.60 2.07 -0.44 -2.13 116.25 122.43 3kzq h VAL 154 Ca 0.22 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 3kzq h VAL 154 Cb 0.27 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 3kzq h VAL 154 CO -0.01 0.20 0.06 0.15 0.02 0.00 0.00 177.57 177.99 3kzq h PHE 155 N 0.28 0.15 -0.97 1.57 3.57 -0.79 -0.83 116.94 119.92 3kzq h PHE 155 Ca 0.09 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.66 3kzq h PHE 155 Cb 0.22 -0.05 -0.07 0.00 2.79 0.00 0.00 35.95 38.84 3kzq h PHE 155 CO -0.00 0.18 0.63 1.96 -2.23 0.00 0.00 178.31 178.85 3kzq h GLN 156 N 0.08 1.05 -0.53 1.11 1.08 -1.04 -0.87 115.11 115.99 3kzq h GLN 156 Ca 0.04 -0.06 -0.09 0.00 -1.45 0.00 0.00 58.65 57.08 3kzq h GLN 156 Cb 0.08 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.26 3kzq h GLN 156 CO -0.01 0.69 -0.04 0.22 -0.95 0.00 0.00 178.83 178.75 3kzq h ASP 157 N 1.08 0.91 -0.21 1.46 3.58 -0.98 -1.66 116.42 120.60 3kzq h ASP 157 Ca 0.43 -0.26 0.02 0.00 0.42 0.00 0.00 57.03 57.64 3kzq h ASP 157 Cb 0.26 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 3kzq h ASP 157 CO -0.18 0.99 0.09 1.56 -2.88 0.00 0.00 179.24 178.82 3kzq h GLN 158 N 0.85 0.19 -0.64 0.28 1.08 0.14 0.68 115.11 117.68 3kzq h GLN 158 Ca 0.15 -0.01 0.10 0.00 -1.45 0.00 0.00 58.65 57.44 3kzq h GLN 158 Cb 0.56 -0.04 -0.08 0.00 -0.05 0.00 0.00 27.48 27.87 3kzq h GLN 158 CO 0.03 0.13 0.25 -0.07 -0.95 0.00 0.00 178.83 178.22 3kzq h LEU 159 N 0.20 0.25 -0.76 1.46 3.38 -0.98 -0.61 115.31 118.25 3kzq h LEU 159 Ca 0.09 0.08 -0.12 0.00 0.09 0.00 0.00 57.88 58.02 3kzq h LEU 159 Cb 0.04 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3kzq h LEU 159 CO -0.08 0.14 -0.42 0.28 0.09 0.00 0.00 178.44 178.46 3kzq h SER 160 N 0.43 0.46 -0.07 -0.43 0.02 -1.08 -2.43 113.55 110.45 3kzq h SER 160 Ca 0.33 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 3kzq h SER 160 Cb 0.41 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.82 3kzq h SER 160 CO -0.32 0.83 0.01 0.25 -1.14 0.00 0.00 176.83 176.46 3kzq h LEU 161 N 0.36 0.11 -0.55 5.07 5.85 -0.41 -0.06 115.31 125.67 3kzq h LEU 161 Ca 0.03 -0.27 0.11 0.00 0.84 0.00 0.00 57.88 58.58 3kzq h LEU 161 Cb 0.88 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.80 3kzq h LEU 161 CO 0.07 0.36 0.07 0.00 -0.34 0.00 0.00 178.44 178.60 3kzq h ALA 162 N 0.76 0.60 -0.45 1.25 0.00 -1.04 -0.11 119.26 120.27 3kzq h ALA 162 Ca 0.02 0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 3kzq h ALA 162 Cb 0.29 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3kzq h ALA 162 CO 0.00 -0.34 -0.15 -0.22 0.00 0.00 0.00 179.25 178.54 3kzq h LYS 163 N 0.19 0.85 -0.95 0.00 3.64 -1.39 -1.75 116.57 117.16 3kzq h LYS 163 Ca 0.29 -0.31 0.10 0.00 -1.27 0.00 0.00 60.65 59.45 3kzq h LYS 163 Cb 0.43 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.12 3kzq h LYS 163 CO -0.41 0.94 0.61 0.77 -2.27 0.00 0.00 179.45 179.10 3kzq h SER 164 N 0.75 0.89 0.07 4.20 0.02 0.43 -0.14 113.55 119.78 3kzq h SER 164 Ca 0.12 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3kzq h SER 164 Cb 0.67 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.05 3kzq h SER 164 CO 0.05 0.52 0.00 0.18 -1.14 0.00 0.00 176.83 176.44 3kzq n LEU 165 N -4.55 0.00 0.00 5.07 4.77 -0.20 -4.87 117.00 117.22 3kzq n LEU 165 Ca 0.17 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 3kzq n LEU 165 Cb 0.30 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 3kzq n LEU 165 CO 0.30 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 3kzq n GLY 166 N 0.97 0.50 3.62 -0.72 0.00 -0.07 -5.01 105.19 104.48 3kzq n GLY 166 Ca 0.22 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 3kzq n GLY 166 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kzq s VAL 167 N -2.00 4.63 -0.00 1.61 1.01 -0.69 -4.92 120.40 120.04 3kzq s VAL 167 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.89 3kzq s VAL 167 Cb 0.00 -3.07 0.01 0.00 0.00 0.00 0.00 36.38 33.32 3kzq s VAL 167 CO 0.00 0.48 0.77 -0.46 0.00 0.00 0.00 175.10 175.89 3kzq n ASN 168 N 3.43 0.10 -4.16 3.32 6.94 -1.26 -4.07 115.26 119.55 3kzq n ASN 168 Ca -0.17 -1.56 -0.10 0.00 -0.02 0.00 0.00 54.58 52.73 3kzq n ASN 168 Cb 0.52 -0.11 -0.10 0.00 -2.36 0.00 0.00 39.78 37.74 3kzq n ASN 168 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3kzq s SER 169 N -0.58 0.81 0.03 0.53 1.04 -1.26 -5.08 113.70 109.19 3kzq s SER 169 Ca 0.01 -1.08 0.03 0.00 0.48 0.00 0.00 55.95 55.38 3kzq s SER 169 Cb 0.01 0.17 -0.02 0.00 0.10 0.00 0.00 66.02 66.28 3kzq s SER 169 CO 0.00 -0.58 -0.08 -0.31 0.98 0.00 0.00 173.24 173.25 3kzq s TYR 170 N -3.80 0.73 0.53 5.02 2.02 -1.26 -4.11 117.35 116.48 3kzq s TYR 170 Ca 0.15 -0.37 -0.19 0.00 -0.37 0.00 0.00 57.07 56.29 3kzq s TYR 170 Cb 0.07 -0.44 -0.07 0.00 -0.40 0.00 0.00 41.96 41.12 3kzq s TYR 170 CO -0.03 -0.04 1.09 -1.25 -1.57 0.00 0.00 175.55 173.74 3kzq s PRO 171 N -1.15 3.52 0.13 -1.71 0.04 -1.26 -4.68 135.00 129.88 3kzq s PRO 171 Ca -0.05 1.47 -0.01 0.00 0.04 0.00 0.00 61.00 62.45 3kzq s PRO 171 Cb -0.08 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 3kzq s PRO 171 CO 0.00 -0.68 0.06 -1.12 0.04 0.00 0.00 177.00 175.30 3kzq s SER 172 N -1.96 0.31 -0.03 6.66 0.01 -0.51 -4.92 113.70 113.27 3kzq s SER 172 Ca 0.70 -1.20 0.03 0.00 1.31 0.00 0.00 55.95 56.79 3kzq s SER 172 Cb -0.20 0.30 -0.00 0.00 0.21 0.00 0.00 66.02 66.33 3kzq s SER 172 CO 0.25 -0.73 -0.11 -0.76 0.41 0.00 0.00 173.24 172.30 3kzq s LEU 173 N -3.04 1.85 -0.07 2.44 1.43 -1.26 -0.74 118.68 119.29 3kzq s LEU 173 Ca 0.24 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 3kzq s LEU 173 Cb 0.07 -0.64 0.02 0.00 0.03 0.00 0.00 46.19 45.68 3kzq s LEU 173 CO 0.01 0.10 -0.06 -0.69 0.23 0.00 0.00 176.35 175.94 3kzq s VAL 174 N 0.08 0.73 -0.14 -1.59 1.01 -0.78 -1.40 120.40 118.30 3kzq s VAL 174 Ca -0.02 -0.18 -0.13 0.00 0.00 0.00 0.00 61.98 61.66 3kzq s VAL 174 Cb -0.08 -0.76 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 3kzq s VAL 174 CO 0.01 0.29 0.27 -0.22 0.00 0.00 0.00 175.10 175.44 3kzq s LEU 175 N 1.27 4.29 -0.12 3.92 2.96 0.71 -0.77 118.68 130.94 3kzq s LEU 175 Ca -0.05 0.53 0.00 0.00 -0.22 0.00 0.00 54.13 54.39 3kzq s LEU 175 Cb -0.14 -2.33 -0.02 0.00 0.50 0.00 0.00 46.19 44.21 3kzq s LEU 175 CO -0.02 0.18 -0.13 -1.58 -1.32 0.00 0.00 176.35 173.47 3kzq s GLN 176 N 0.07 3.26 -0.25 1.98 0.74 0.28 -0.26 119.66 125.48 3kzq s GLN 176 Ca 0.16 -0.68 0.00 0.00 0.05 0.00 0.00 55.36 54.89 3kzq s GLN 176 Cb -0.13 -2.60 0.07 0.00 1.10 0.00 0.00 33.01 31.45 3kzq s GLN 176 CO 0.04 0.28 -0.02 0.42 -0.55 0.00 0.00 175.29 175.46 3kzq s ILE 177 N 0.18 1.42 0.00 -2.34 1.01 0.99 -1.83 121.20 120.63 3kzq s ILE 177 Ca -0.07 -1.27 0.00 0.00 0.00 0.00 0.00 60.65 59.31 3kzq s ILE 177 Cb -0.15 -1.78 0.00 0.00 0.01 0.00 0.00 42.46 40.54 3kzq s ILE 177 CO 0.05 -0.21 0.00 0.59 0.00 0.00 0.00 174.94 175.36 3kzq n ASN 178 N 4.69 0.00 -1.21 3.58 3.02 0.20 -1.84 115.26 123.71 3kzq n ASN 178 Ca -0.09 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.57 3kzq n ASN 178 Cb 0.44 0.00 0.28 0.00 -0.61 0.00 0.00 39.78 39.89 3kzq n ASN 178 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3kzq n ASP 179 N 7.52 3.54 -4.59 6.41 8.00 -1.26 -4.95 116.55 131.22 3kzq n ASP 179 Ca 0.00 -1.99 -0.29 0.00 0.71 0.00 0.00 54.79 53.22 3kzq n ASP 179 Cb 0.00 -0.38 -0.09 0.00 -0.02 0.00 0.00 41.12 40.63 3kzq n ASP 179 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kzq s ALA 180 N -1.24 3.00 0.00 2.24 0.00 -0.77 -5.14 121.76 119.86 3kzq s ALA 180 Ca 0.43 -1.29 0.05 0.00 0.00 0.00 0.00 51.96 51.15 3kzq s ALA 180 Cb 0.23 -0.90 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 3kzq s ALA 180 CO 0.31 0.60 -0.16 0.71 0.00 0.00 0.00 175.76 177.22 3kzq s TYR 181 N -1.37 1.38 -0.05 0.00 2.02 -1.26 -0.01 117.35 118.07 3kzq s TYR 181 Ca 0.23 -0.29 -0.02 0.00 -0.37 0.00 0.00 57.07 56.62 3kzq s TYR 181 Cb -0.10 -0.87 0.03 0.00 -0.40 0.00 0.00 41.96 40.62 3kzq s TYR 181 CO 0.15 0.00 0.04 -0.06 -1.57 0.00 0.00 175.55 174.11 3kzq s PHE 182 N -0.50 0.21 0.26 2.71 0.08 0.64 -4.96 117.98 116.41 3kzq s PHE 182 Ca 0.05 0.15 -0.30 0.00 0.12 0.00 0.00 56.93 56.96 3kzq s PHE 182 Cb -0.07 -0.54 -0.10 0.00 -0.57 0.00 0.00 43.02 41.74 3kzq s PHE 182 CO 0.00 -0.22 1.34 -1.25 -0.10 0.00 0.00 175.22 175.00 3kzq s PRO 183 N 2.06 4.35 -0.21 0.24 0.04 -1.26 -0.20 135.00 140.02 3kzq s PRO 183 Ca 0.04 2.17 -0.01 0.00 0.04 0.00 0.00 61.00 63.25 3kzq s PRO 183 Cb -0.12 -3.13 0.02 0.00 0.04 0.00 0.00 34.50 31.31 3kzq s PRO 183 CO -0.03 -0.27 -0.13 0.42 0.04 0.00 0.00 177.00 177.03 3kzq s ILE 184 N -0.36 2.54 0.31 0.56 -1.09 -0.49 -4.88 121.20 117.79 3kzq s ILE 184 Ca 0.55 -0.90 -0.29 0.00 -2.23 0.00 0.00 60.65 57.78 3kzq s ILE 184 Cb -0.39 -2.16 -0.13 0.00 -1.58 0.00 0.00 42.46 38.20 3kzq s ILE 184 CO 0.44 0.41 1.31 1.21 -1.23 0.00 0.00 174.94 177.08 3kzq n GLU 185 N 4.66 2.04 -2.51 2.79 2.13 -1.26 -3.98 120.64 124.52 3kzq n GLU 185 Ca -0.19 0.72 -0.42 0.00 0.66 0.00 0.00 57.16 57.93 3kzq n GLU 185 Cb 0.49 -2.31 -0.03 0.00 0.27 0.00 0.00 31.44 29.86 3kzq n GLU 185 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3kzq s VAL 186 N -0.76 4.24 -0.28 6.31 1.01 -1.26 -4.81 120.40 124.84 3kzq s VAL 186 Ca 0.60 1.63 -0.02 0.00 0.00 0.00 0.00 61.98 64.19 3kzq s VAL 186 Cb -0.60 -4.05 0.04 0.00 0.00 0.00 0.00 36.38 31.77 3kzq s VAL 186 CO 0.58 0.14 -0.02 -0.62 0.00 0.00 0.00 175.10 175.18 3kzq s ASP 187 N 0.93 4.68 0.41 3.32 3.68 -1.26 -5.02 116.67 123.40 3kzq s ASP 187 Ca 0.56 -1.10 0.20 0.00 2.13 0.00 0.00 52.55 54.33 3kzq s ASP 187 Cb -0.27 -1.70 0.86 0.00 -1.45 0.00 0.00 42.92 40.36 3kzq s ASP 187 CO 0.29 -0.21 1.83 1.88 0.13 0.00 0.00 175.17 179.09 3kzq h TYR 188 N 8.01 0.00 0.00 -5.34 0.05 -1.97 -3.29 116.97 114.44 3kzq h TYR 188 Ca -0.26 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.52 3kzq h TYR 188 Cb 1.08 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.82 3kzq h TYR 188 CO 0.60 0.31 -1.82 1.28 -1.05 0.00 0.00 178.16 177.48 3kzq n LEU 189 N -3.66 0.07 -3.79 3.88 4.77 -1.26 -4.65 117.00 112.36 3kzq n LEU 189 Ca -0.01 -0.04 -0.13 0.00 -0.03 0.00 0.00 56.01 55.80 3kzq n LEU 189 Cb 0.43 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.39 3kzq n LEU 189 CO 0.36 0.02 -0.19 -0.55 -1.33 0.00 0.00 177.39 175.70 3kzq s SER 190 N -4.16 -0.17 0.20 -1.43 0.15 -1.24 -4.99 113.70 102.07 3kzq s SER 190 Ca -0.06 0.34 0.25 0.00 0.70 0.00 0.00 55.95 57.18 3kzq s SER 190 Cb 0.13 0.31 0.61 0.00 -1.71 0.00 0.00 66.02 65.36 3kzq s SER 190 CO 0.82 -0.09 1.61 0.71 1.20 0.00 0.00 173.24 177.49 3kzq h THR 191 N 5.24 0.00 -0.34 6.45 1.35 -1.88 -3.39 112.91 120.33 3kzq h THR 191 Ca -0.31 -0.54 -0.12 0.00 -0.55 0.00 0.00 66.41 64.89 3kzq h THR 191 Cb 1.18 1.40 -0.01 0.00 -1.73 0.00 0.00 68.15 69.00 3kzq h THR 191 CO 0.41 0.00 -0.26 -0.33 -0.25 0.00 0.00 175.52 175.09 3kzq h GLU 192 N 0.00 0.77 0.00 4.72 4.39 -1.96 -1.48 114.58 121.02 3kzq h GLU 192 Ca 0.00 -0.38 -0.06 0.00 0.34 0.00 0.00 59.36 59.26 3kzq h GLU 192 Cb 0.77 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 3kzq h GLU 192 CO 0.00 1.00 -0.27 -1.35 -1.16 0.00 0.00 179.01 177.23 3kzq h PRO 193 N 0.55 0.00 -0.06 2.33 0.11 -1.99 -2.05 132.00 130.89 3kzq h PRO 193 Ca 0.06 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.15 3kzq h PRO 193 Cb 0.83 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.94 3kzq h PRO 193 CO 0.07 0.27 -0.03 1.15 -0.21 0.00 0.00 178.00 179.25 3kzq h THR 194 N 0.00 1.33 -0.89 -1.15 2.02 -1.70 -1.20 112.91 111.33 3kzq h THR 194 Ca -0.00 -1.07 -0.00 0.00 0.77 0.00 0.00 66.41 66.11 3kzq h THR 194 Cb 0.49 1.92 -0.04 0.00 -1.74 0.00 0.00 68.15 68.78 3kzq h THR 194 CO 0.04 0.29 0.54 -0.07 0.37 0.00 0.00 175.52 176.69 3kzq h LEU 195 N -0.26 1.06 -0.58 2.58 3.38 -1.24 -0.65 115.31 119.60 3kzq h LEU 195 Ca 0.01 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 3kzq h LEU 195 Cb 0.49 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3kzq h LEU 195 CO 0.01 0.80 0.15 0.50 0.09 0.00 0.00 178.44 179.99 3kzq h LYS 196 N 1.22 0.92 -0.93 1.13 3.64 -1.28 0.19 116.57 121.46 3kzq h LYS 196 Ca 0.32 -0.22 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 3kzq h LYS 196 Cb -0.07 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.58 3kzq h LYS 196 CO -0.06 0.84 0.62 -0.07 -2.27 0.00 0.00 179.45 178.51 3kzq h LEU 197 N 0.82 1.07 0.01 5.20 3.38 -0.59 -1.34 115.31 123.86 3kzq h LEU 197 Ca 0.18 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3kzq h LEU 197 Cb 0.33 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3kzq h LEU 197 CO 0.00 0.78 -0.00 0.40 0.09 0.00 0.00 178.44 179.70 3kzq h ILE 198 N 1.26 1.34 -0.75 1.22 2.04 -0.66 -2.25 117.51 119.72 3kzq h ILE 198 Ca 0.34 -1.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 3kzq h ILE 198 Cb -0.15 2.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.95 3kzq h ILE 198 CO -0.07 0.27 0.40 0.03 0.00 0.00 0.00 178.15 178.78 3kzq h ARG 199 N -0.45 1.05 -0.28 2.37 3.08 -0.50 -1.73 114.38 117.92 3kzq h ARG 199 Ca -0.00 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 3kzq h ARG 199 Cb 0.45 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 3kzq h ARG 199 CO 0.00 0.79 0.16 0.93 -1.07 0.00 0.00 179.97 180.78 3kzq h GLU 200 N 1.04 0.39 -0.81 0.04 5.08 -1.25 -1.56 114.58 117.51 3kzq h GLU 200 Ca 0.26 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.59 3kzq h GLU 200 Cb 0.05 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 3kzq h GLU 200 CO -0.04 0.33 0.53 -0.09 -1.00 0.00 0.00 179.01 178.74 3kzq h ARG 201 N 0.34 1.04 -0.14 2.33 9.65 -1.18 -1.68 114.38 124.74 3kzq h ARG 201 Ca 0.10 -0.06 -0.02 0.00 -1.10 0.00 0.00 59.98 58.90 3kzq h ARG 201 Cb 0.05 -0.23 -0.01 0.00 -1.39 0.00 0.00 29.97 28.39 3kzq h ARG 201 CO -0.02 0.69 0.03 0.82 2.80 0.00 0.00 179.97 184.29 3kzq h ILE 202 N 1.07 1.22 -0.84 1.20 2.04 -0.92 -2.26 117.51 119.02 3kzq h ILE 202 Ca 0.30 -0.69 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 3kzq h ILE 202 Cb -0.09 1.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 3kzq h ILE 202 CO -0.08 0.20 0.49 0.40 0.00 0.00 0.00 178.15 179.16 3kzq h ILE 203 N 0.02 1.24 0.00 -0.67 1.08 -1.17 -2.24 117.51 115.76 3kzq h ILE 203 Ca 0.04 -0.55 -0.04 0.00 -0.39 0.00 0.00 64.86 63.93 3kzq h ILE 203 Cb 0.29 0.08 -0.01 0.00 -3.07 0.00 0.00 36.82 34.12 3kzq h ILE 203 CO 0.00 0.25 -0.18 -0.33 -0.69 0.00 0.00 178.15 177.21 3kzq h GLU 204 N 1.15 0.00 -0.69 2.37 4.39 -1.17 -3.01 114.58 117.63 3kzq h GLU 204 Ca 0.30 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.74 3kzq h GLU 204 Cb -0.02 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 28.48 3kzq h GLU 204 CO -0.05 0.18 0.27 0.09 -1.16 0.00 0.00 179.01 178.34 3kzq n ASN 205 N -4.22 4.13 -0.90 1.42 4.13 -0.85 -5.10 115.26 113.86 3kzq n ASN 205 Ca -0.02 -3.38 0.11 0.00 1.68 0.00 0.00 54.58 52.97 3kzq n ASN 205 Cb 0.25 -0.73 0.09 0.00 -1.54 0.00 0.00 39.78 37.85 3kzq n ASN 205 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77