#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cyq n LEU 3 N 0.00 3.60 -4.81 0.00 4.77 -1.26 -4.98 117.00 114.33 1cyq n LEU 3 Ca 0.00 1.15 -0.30 0.00 -0.03 0.00 0.00 56.01 56.84 1cyq n LEU 3 Cb 0.00 -1.49 0.10 0.00 -2.33 0.00 0.00 43.42 39.70 1cyq n LEU 3 CO 0.00 -0.27 0.72 0.42 -1.33 0.00 0.00 177.39 176.93 1cyq s THR 4 N -0.20 2.76 0.23 -5.08 -4.23 -1.26 -4.81 115.64 103.05 1cyq s THR 4 Ca 0.65 0.25 -0.07 0.00 -1.18 0.00 0.00 61.69 61.34 1cyq s THR 4 Cb -0.59 -3.01 0.18 0.00 1.34 0.00 0.00 72.50 70.42 1cyq s THR 4 CO 0.51 -0.32 1.75 -1.13 -0.54 0.00 0.00 174.62 174.89 1cyq h ASN 5 N -1.18 0.34 -0.74 3.99 -0.73 -2.00 -1.05 115.58 114.21 1cyq h ASN 5 Ca -0.48 0.08 -0.03 0.00 1.87 0.00 0.00 56.30 57.74 1cyq h ASN 5 Cb 1.29 0.03 -0.03 0.00 0.27 0.00 0.00 38.32 39.88 1cyq h ASN 5 CO 0.60 0.18 0.34 0.00 -0.37 0.00 0.00 177.43 178.18 1cyq h ALA 6 N 1.46 1.17 -0.34 1.57 0.00 -1.99 -1.45 119.26 119.68 1cyq h ALA 6 Ca 0.36 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 1cyq h ALA 6 Cb 0.45 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1cyq h ALA 6 CO -0.32 0.62 -0.31 1.96 0.00 0.00 0.00 179.25 181.20 1cyq h GLN 7 N 1.08 0.73 -0.44 0.00 4.20 -1.61 -2.23 115.11 116.84 1cyq h GLN 7 Ca 0.26 -0.33 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 1cyq h GLN 7 Cb 0.15 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1cyq h GLN 7 CO -0.03 0.94 0.15 0.82 -0.67 0.00 0.00 178.83 180.04 1cyq h ILE 8 N 0.62 1.22 -0.84 2.54 1.08 -0.91 -1.89 117.51 119.33 1cyq h ILE 8 Ca 0.07 -0.71 0.02 0.00 -0.39 0.00 0.00 64.86 63.86 1cyq h ILE 8 Cb 0.83 0.85 -0.05 0.00 -3.07 0.00 0.00 36.82 35.38 1cyq h ILE 8 CO 0.07 0.25 0.56 -0.07 -0.69 0.00 0.00 178.15 178.27 1cyq h LEU 9 N 0.57 0.92 -0.98 1.44 3.38 -1.12 -0.22 115.31 119.30 1cyq h LEU 9 Ca 0.14 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 1cyq h LEU 9 Cb 0.25 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1cyq h LEU 9 CO -0.01 0.65 -0.13 0.00 0.09 0.00 0.00 178.44 179.04 1cyq h ALA 10 N 1.50 1.15 -0.34 1.53 0.00 -1.00 -0.10 119.26 121.99 1cyq h ALA 10 Ca 0.32 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 1cyq h ALA 10 Cb -0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1cyq h ALA 10 CO -0.09 0.54 -0.41 0.28 0.00 0.00 0.00 179.25 179.57 1cyq h VAL 11 N 0.54 1.28 -0.54 0.00 2.07 -0.44 -1.71 116.25 117.45 1cyq h VAL 11 Ca 0.10 -1.59 -0.10 0.00 0.82 0.00 0.00 66.70 65.93 1cyq h VAL 11 Cb 0.54 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1cyq h VAL 11 CO 0.03 0.52 -0.05 0.40 0.02 0.00 0.00 177.57 178.50 1cyq h ILE 12 N 0.68 1.26 -0.52 4.57 2.04 -0.67 -1.70 117.51 123.17 1cyq h ILE 12 Ca 0.05 -1.17 -0.08 0.00 1.00 0.00 0.00 64.86 64.66 1cyq h ILE 12 Cb 0.99 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 1cyq h ILE 12 CO 0.09 0.41 -0.01 0.44 0.00 0.00 0.00 178.15 179.09 1cyq h ASP 13 N 0.87 0.90 0.25 1.72 3.45 -0.88 -0.94 116.42 121.80 1cyq h ASP 13 Ca 0.15 -0.31 -0.14 0.00 0.43 0.00 0.00 57.03 57.16 1cyq h ASP 13 Cb 0.58 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 39.10 1cyq h ASP 13 CO 0.04 0.99 -0.55 0.77 -1.57 0.00 0.00 179.24 178.92 1cyq h SER 14 N 0.79 0.35 -0.27 6.45 4.64 -1.23 -1.67 113.55 122.61 1cyq h SER 14 Ca 0.15 -0.19 -0.03 0.00 -0.47 0.00 0.00 61.79 61.25 1cyq h SER 14 Cb 0.54 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 1cyq h SER 14 CO 0.03 0.83 0.05 -0.25 -0.87 0.00 0.00 176.83 176.62 1cyq h TRP 15 N 0.25 0.48 -0.79 4.77 7.01 -1.14 -2.17 115.95 124.36 1cyq h TRP 15 Ca 0.00 -0.07 -0.03 0.00 2.11 0.00 0.00 58.89 60.91 1cyq h TRP 15 Cb 1.04 -0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 27.94 1cyq h TRP 15 CO 0.03 0.55 0.38 0.93 -2.79 0.00 0.00 178.44 177.54 1cyq h GLU 16 N 0.27 1.13 -0.58 2.65 5.08 -1.03 -0.89 114.58 121.21 1cyq h GLU 16 Ca 0.08 -0.17 0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1cyq h GLU 16 Cb 0.33 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 1cyq h GLU 16 CO 0.01 0.88 0.34 1.49 -1.00 0.00 0.00 179.01 180.72 1cyq h GLU 17 N 1.11 0.65 -0.04 2.33 4.81 -1.12 0.88 114.58 123.21 1cyq h GLU 17 Ca 0.27 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.41 1cyq h GLU 17 Cb 0.12 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1cyq h GLU 17 CO -0.03 0.43 -0.16 1.15 -0.73 0.00 0.00 179.01 179.66 1cyq h THR 18 N 0.67 1.48 -0.59 0.32 2.02 -1.18 -3.27 112.91 112.35 1cyq h THR 18 Ca 0.24 -1.64 -0.03 0.00 0.77 0.00 0.00 66.41 65.74 1cyq h THR 18 Cb 0.05 2.46 -0.03 0.00 -1.74 0.00 0.00 68.15 68.89 1cyq h THR 18 CO -0.12 0.45 0.24 0.58 0.37 0.00 0.00 175.52 177.04 1cyq h VAL 19 N -0.40 1.21 -0.03 3.16 2.07 -1.09 -1.89 116.25 119.28 1cyq h VAL 19 Ca -0.01 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 66.87 1cyq h VAL 19 Cb 0.82 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1cyq h VAL 19 CO 0.03 0.26 0.07 1.23 0.02 0.00 0.00 177.57 179.19 1cyq h GLY 20 N 0.96 0.00 -1.02 2.17 0.00 -0.87 -0.53 103.07 103.78 1cyq h GLY 20 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1cyq h GLY 20 CO -0.02 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.46 1cyq n GLN 21 N -3.38 1.90 -2.05 4.80 6.02 -0.71 -4.93 117.38 119.03 1cyq n GLN 21 Ca -0.02 -1.32 -0.34 0.00 -0.01 0.00 0.00 57.00 55.31 1cyq n GLN 21 Cb 0.15 -1.46 0.02 0.00 1.02 0.00 0.00 30.24 29.97 1cyq n GLN 21 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1cyq s PHE 22 N -1.93 2.66 0.23 1.08 2.99 -0.21 -4.93 117.98 117.87 1cyq s PHE 22 Ca 0.35 1.55 -0.31 0.00 0.00 0.00 0.00 56.93 58.51 1cyq s PHE 22 Cb 0.20 -3.23 -0.14 0.00 0.00 0.00 0.00 43.02 39.85 1cyq s PHE 22 CO 0.31 -1.61 1.36 -2.30 -0.00 0.00 0.00 175.22 172.98 1cyq n PRO 23 N -1.78 1.87 -3.53 0.24 -0.02 -1.25 -4.68 135.00 125.85 1cyq n PRO 23 Ca 0.11 0.66 -0.41 0.00 -2.02 0.00 0.00 63.50 61.84 1cyq n PRO 23 Cb 0.51 -2.29 -0.11 0.00 -0.02 0.00 0.00 33.50 31.60 1cyq n PRO 23 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1cyq s VAL 24 N -0.09 5.06 -0.18 -1.45 1.01 -1.26 -1.51 120.40 121.98 1cyq s VAL 24 Ca 0.69 -0.56 -0.07 0.00 0.00 0.00 0.00 61.98 62.04 1cyq s VAL 24 Cb -0.69 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 1cyq s VAL 24 CO 0.50 -0.18 0.05 -0.63 0.00 0.00 0.00 175.10 174.85 1cyq s ILE 25 N 1.66 4.68 -0.22 2.22 -1.09 0.17 -4.93 121.20 123.69 1cyq s ILE 25 Ca 0.05 -0.07 -0.20 0.00 -2.23 0.00 0.00 60.65 58.20 1cyq s ILE 25 Cb -0.18 -3.10 -0.03 0.00 -1.58 0.00 0.00 42.46 37.57 1cyq s ILE 25 CO 0.09 0.47 0.58 -0.89 -1.23 0.00 0.00 174.94 173.96 1cyq s THR 26 N 0.34 5.04 -0.08 2.92 2.01 -1.26 -1.42 115.64 123.18 1cyq s THR 26 Ca 0.02 1.07 0.05 0.00 0.31 0.00 0.00 61.69 63.14 1cyq s THR 26 Cb -0.13 -3.90 -0.01 0.00 0.01 0.00 0.00 72.50 68.48 1cyq s THR 26 CO 0.00 0.10 -0.24 -1.00 -0.69 0.00 0.00 174.62 172.79 1cyq s HIS 27 N 2.05 2.48 -0.22 4.92 3.76 0.18 -4.99 115.29 123.47 1cyq s HIS 27 Ca 0.26 -0.88 -0.15 0.00 -0.15 0.00 0.00 55.06 54.13 1cyq s HIS 27 Cb -0.16 -1.65 -0.04 0.00 1.11 0.00 0.00 32.58 31.85 1cyq s HIS 27 CO 0.09 -0.32 0.39 -1.01 -0.85 0.00 0.00 174.74 173.04 1cyq s HIS 28 N 0.09 3.34 0.12 1.40 3.76 -1.26 -0.93 115.29 121.81 1cyq s HIS 28 Ca -0.11 0.55 0.05 0.00 -0.15 0.00 0.00 55.06 55.40 1cyq s HIS 28 Cb -0.16 -2.53 -0.04 0.00 1.11 0.00 0.00 32.58 30.96 1cyq s HIS 28 CO 0.06 -0.07 -0.12 0.14 -0.85 0.00 0.00 174.74 173.90 1cyq s VAL 29 N 1.51 1.22 0.21 -0.90 -7.23 -0.41 -4.95 120.40 109.84 1cyq s VAL 29 Ca 0.18 -1.77 -0.30 0.00 -1.81 0.00 0.00 61.98 58.28 1cyq s VAL 29 Cb -0.15 -1.55 -0.08 0.00 0.56 0.00 0.00 36.38 35.16 1cyq s VAL 29 CO 0.08 -0.51 1.09 -2.16 -0.31 0.00 0.00 175.10 173.29 1cyq s PRO 30 N -2.91 4.62 0.00 4.82 0.04 -1.26 0.28 135.00 140.59 1cyq s PRO 30 Ca 0.10 1.73 0.12 0.00 0.04 0.00 0.00 61.00 62.99 1cyq s PRO 30 Cb -0.03 -3.25 -0.09 0.00 0.04 0.00 0.00 34.50 31.17 1cyq s PRO 30 CO 0.02 0.14 0.60 1.28 0.04 0.00 0.00 177.00 179.08 1cyq n LEU 31 N 1.98 0.87 0.00 -3.56 4.77 0.07 -0.67 117.00 120.46 1cyq n LEU 31 Ca 0.01 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 1cyq n LEU 31 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1cyq n LEU 31 CO 0.54 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 1cyq n GLY 32 N 1.20 2.43 2.42 -0.72 0.00 -1.25 -0.78 105.19 108.49 1cyq n GLY 32 Ca 0.03 -1.91 -0.19 0.00 0.00 0.00 0.00 46.02 43.96 1cyq n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cyq n GLY 33 N 1.42 -0.40 2.70 -0.02 0.00 -1.17 -2.02 105.19 105.71 1cyq n GLY 33 Ca 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 1cyq n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cyq n GLY 34 N -1.07 0.28 3.86 -0.02 0.00 -1.26 -4.98 105.19 102.00 1cyq n GLY 34 Ca -0.21 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 1cyq n GLY 34 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1cyq s LEU 35 N -0.37 4.37 -0.07 0.99 1.43 -0.85 -5.01 118.68 119.18 1cyq s LEU 35 Ca 0.00 0.79 0.01 0.00 -1.03 0.00 0.00 54.13 53.91 1cyq s LEU 35 Cb 0.00 -2.86 -0.03 0.00 0.03 0.00 0.00 46.19 43.33 1cyq s LEU 35 CO 0.00 0.21 -0.08 -1.10 0.23 0.00 0.00 176.35 175.61 1cyq s GLN 36 N -1.72 2.71 0.27 1.70 -1.52 -1.26 -0.75 119.66 119.09 1cyq s GLN 36 Ca 0.30 -0.57 0.01 0.00 -1.95 0.00 0.00 55.36 53.15 1cyq s GLN 36 Cb -0.14 -2.56 -0.01 0.00 -0.22 0.00 0.00 33.01 30.09 1cyq s GLN 36 CO 0.17 0.65 0.05 0.41 -0.25 0.00 0.00 175.29 176.32 1cyq n GLY 37 N 2.25 3.68 3.02 3.09 0.00 0.14 -4.90 105.19 112.47 1cyq n GLY 37 Ca -0.18 -2.16 -0.23 0.00 0.00 0.00 0.00 46.02 43.45 1cyq n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cyq s THR 38 N -2.32 1.03 -0.02 2.61 2.01 -1.26 -1.29 115.64 116.40 1cyq s THR 38 Ca 0.07 -0.44 0.05 0.00 0.31 0.00 0.00 61.69 61.68 1cyq s THR 38 Cb 0.00 -0.93 -0.01 0.00 0.01 0.00 0.00 72.50 71.57 1cyq s THR 38 CO 0.05 0.32 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.36 1cyq s LEU 39 N 0.50 2.00 -0.38 4.42 1.02 -0.11 -4.98 118.68 121.16 1cyq s LEU 39 Ca -0.10 -0.35 -0.02 0.00 0.02 0.00 0.00 54.13 53.67 1cyq s LEU 39 Cb -0.13 -0.99 0.09 0.00 0.02 0.00 0.00 46.19 45.17 1cyq s LEU 39 CO 0.02 0.21 0.14 -1.00 0.02 0.00 0.00 176.35 175.75 1cyq s HIS 40 N -0.30 3.50 -0.06 0.29 3.76 -1.26 -0.64 115.29 120.58 1cyq s HIS 40 Ca 0.04 -2.26 -0.15 0.00 -0.15 0.00 0.00 55.06 52.54 1cyq s HIS 40 Cb -0.09 -2.90 -0.05 0.00 1.11 0.00 0.00 32.58 30.65 1cyq s HIS 40 CO 0.00 -0.92 0.39 0.00 -0.85 0.00 0.00 174.74 173.37 1cyq s TYR 42 N -0.44 3.33 -0.16 0.00 1.51 -1.26 -0.65 117.35 119.68 1cyq s TYR 42 Ca 0.23 -1.41 -0.19 0.00 -1.01 0.00 0.00 57.07 54.68 1cyq s TYR 42 Cb -0.16 -3.84 -0.03 0.00 -0.11 0.00 0.00 41.96 37.82 1cyq s TYR 42 CO 0.11 -1.05 0.54 -1.21 -1.11 0.00 0.00 175.55 172.83 1cyq s GLU 43 N 1.42 4.27 0.32 -0.62 2.02 -0.57 -0.54 118.70 125.00 1cyq s GLU 43 Ca 0.08 0.51 -0.29 0.00 0.02 0.00 0.00 54.97 55.29 1cyq s GLU 43 Cb -0.25 -3.51 -0.10 0.00 0.10 0.00 0.00 34.13 30.37 1cyq s GLU 43 CO 0.01 -0.04 1.28 -1.50 0.02 0.00 0.00 175.26 175.03 1cyq s ILE 44 N 1.26 2.82 0.91 -1.63 2.07 -0.53 -3.87 121.20 122.23 1cyq s ILE 44 Ca 0.27 0.82 -0.12 0.00 -1.41 0.00 0.00 60.65 60.21 1cyq s ILE 44 Cb -0.16 -3.52 0.07 0.00 0.13 0.00 0.00 42.46 38.98 1cyq s ILE 44 CO 0.11 0.19 0.72 -2.65 -1.91 0.00 0.00 174.94 171.40 1cyq n PRO 45 N 0.93 -0.24 0.21 3.50 -0.02 -1.26 -4.92 135.00 133.20 1cyq n PRO 45 Ca 0.00 -0.01 0.10 0.00 -2.02 0.00 0.00 63.50 61.56 1cyq n PRO 45 Cb 0.42 -2.07 0.29 0.00 -0.02 0.00 0.00 33.50 32.12 1cyq n PRO 45 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1cyq h LEU 46 N -1.49 0.00 -7.80 2.45 3.38 -1.93 -3.46 115.31 106.46 1cyq h LEU 46 Ca -0.44 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.45 1cyq h LEU 46 Cb 1.29 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.90 1cyq h LEU 46 CO 0.38 0.19 -0.35 0.00 0.09 0.00 0.00 178.44 178.75 1cyq s ALA 47 N -3.33 -0.25 0.55 1.53 0.00 -1.26 -5.15 121.76 113.85 1cyq s ALA 47 Ca 0.04 -0.61 -0.21 0.00 0.00 0.00 0.00 51.96 51.18 1cyq s ALA 47 Cb 0.08 0.52 -0.05 0.00 0.00 0.00 0.00 23.12 23.67 1cyq s ALA 47 CO 0.66 -0.52 1.34 0.00 0.00 0.00 0.00 175.76 177.24 1cyq s ALA 48 N -3.86 2.78 0.44 0.00 0.00 -1.26 -4.33 121.76 115.53 1cyq s ALA 48 Ca 0.06 1.31 -0.21 0.00 0.00 0.00 0.00 51.96 53.12 1cyq s ALA 48 Cb 0.05 -3.56 -0.11 0.00 0.00 0.00 0.00 23.12 19.50 1cyq s ALA 48 CO -0.10 -1.37 0.96 -1.25 0.00 0.00 0.00 175.76 174.00 1cyq s PRO 49 N -2.95 4.16 -0.16 0.00 0.04 -1.26 -5.14 135.00 129.70 1cyq s PRO 49 Ca 0.72 1.14 0.16 0.00 0.04 0.00 0.00 61.00 63.07 1cyq s PRO 49 Cb -0.40 -2.17 -0.24 0.00 0.04 0.00 0.00 34.50 31.73 1cyq s PRO 49 CO 0.46 -0.09 0.24 0.66 0.04 0.00 0.00 177.00 178.31 1cyq n TYR 50 N -0.73 0.28 0.00 0.56 4.01 -1.26 -4.81 117.16 115.21 1cyq n TYR 50 Ca 0.07 0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.91 1cyq n TYR 50 Cb 0.54 -1.05 0.00 0.00 -0.31 0.00 0.00 39.34 38.52 1cyq n TYR 50 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1cyq n GLY 51 N 1.69 4.08 3.68 2.72 0.00 -1.26 -4.53 105.19 111.57 1cyq n GLY 51 Ca -0.28 -1.29 -0.46 0.00 0.00 0.00 0.00 46.02 43.99 1cyq n GLY 51 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1cyq n VAL 52 N -1.71 0.52 -0.02 1.61 0.31 -1.26 -1.42 118.33 116.36 1cyq n VAL 52 Ca 0.00 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 1cyq n VAL 52 Cb 0.00 -1.98 0.00 0.00 -0.91 0.00 0.00 33.84 30.95 1cyq n VAL 52 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1cyq n GLY 53 N 4.29 1.14 3.79 2.92 0.00 -1.26 -4.98 105.19 111.09 1cyq n GLY 53 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 1cyq n GLY 53 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cyq s PHE 54 N -2.42 3.44 -0.05 1.61 0.40 -0.51 -0.82 117.98 119.65 1cyq s PHE 54 Ca 0.00 0.37 -0.08 0.00 -0.60 0.00 0.00 56.93 56.62 1cyq s PHE 54 Cb 0.00 -1.96 0.01 0.00 0.51 0.00 0.00 43.02 41.58 1cyq s PHE 54 CO 0.00 0.54 0.20 0.00 0.70 0.00 0.00 175.22 176.66 1cyq s ALA 55 N -0.61 -0.49 -0.19 5.36 0.00 -0.98 -4.55 121.76 120.30 1cyq s ALA 55 Ca 0.12 0.33 -0.21 0.00 0.00 0.00 0.00 51.96 52.20 1cyq s ALA 55 Cb -0.12 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 1cyq s ALA 55 CO 0.02 -0.15 0.63 0.21 0.00 0.00 0.00 175.76 176.47 1cyq s LYS 56 N -0.54 4.22 0.00 0.00 2.20 -1.26 -0.98 119.74 123.38 1cyq s LYS 56 Ca -0.06 0.61 0.16 0.00 -0.36 0.00 0.00 55.97 56.32 1cyq s LYS 56 Cb -0.04 -3.57 0.11 0.00 -1.51 0.00 0.00 37.83 32.82 1cyq s LYS 56 CO 0.01 -0.22 0.99 0.27 -0.36 0.00 0.00 175.35 176.04 1cyq n ASN 57 N 4.98 2.25 -3.68 1.43 6.94 -0.70 -4.98 115.26 121.51 1cyq n ASN 57 Ca -0.02 -1.63 -0.04 0.00 -0.02 0.00 0.00 54.58 52.88 1cyq n ASN 57 Cb 0.50 0.07 -0.01 0.00 -2.36 0.00 0.00 39.78 37.97 1cyq n ASN 57 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1cyq s GLY 58 N -1.42 -0.31 0.32 4.83 0.00 -1.08 -4.94 107.32 104.71 1cyq s GLY 58 Ca 0.18 0.44 0.05 0.00 0.00 0.00 0.00 44.72 45.39 1cyq s GLY 58 CO 0.23 0.11 1.57 -2.55 0.00 0.00 0.00 173.10 172.46 1cyq h PRO 59 N 2.00 0.01 -0.65 2.90 0.11 -2.04 -2.34 132.00 131.99 1cyq h PRO 59 Ca -0.24 -0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.57 1cyq h PRO 59 Cb 1.23 -0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.93 1cyq h PRO 59 CO 0.27 0.01 -1.12 0.25 -0.21 0.00 0.00 178.00 177.20 1cyq n THR 60 N -5.45 1.27 -4.39 -1.15 -2.24 -1.26 -5.06 114.28 96.00 1cyq n THR 60 Ca 0.26 -3.07 -0.19 0.00 -2.27 0.00 0.00 64.05 58.77 1cyq n THR 60 Cb 0.85 0.93 -0.15 0.00 -2.10 0.00 0.00 70.33 69.86 1cyq n THR 60 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1cyq s ARG 61 N -3.58 0.83 0.13 -0.78 1.81 -0.88 -4.97 118.95 111.51 1cyq s ARG 61 Ca 0.29 -0.33 -0.01 0.00 -1.72 0.00 0.00 55.73 53.96 1cyq s ARG 61 Cb 0.37 -0.79 -0.04 0.00 -0.45 0.00 0.00 34.95 34.04 1cyq s ARG 61 CO -0.01 0.17 0.06 -1.58 -0.68 0.00 0.00 175.30 173.25 1cyq s TRP 62 N -0.08 0.88 0.06 -0.53 0.51 -1.26 -1.73 118.94 116.79 1cyq s TRP 62 Ca 0.01 -1.23 0.03 0.00 -2.12 0.00 0.00 56.10 52.79 1cyq s TRP 62 Cb -0.05 -0.49 -0.03 0.00 -0.81 0.00 0.00 33.47 32.09 1cyq s TRP 62 CO -0.00 -0.51 -0.09 -0.65 -0.51 0.00 0.00 176.95 175.19 1cyq s GLN 63 N -4.05 0.64 -0.13 4.98 -0.21 -0.16 -1.30 119.66 119.44 1cyq s GLN 63 Ca 0.24 -0.91 -0.00 0.00 0.02 0.00 0.00 55.36 54.71 1cyq s GLN 63 Cb 0.07 -0.38 -0.02 0.00 1.00 0.00 0.00 33.01 33.69 1cyq s GLN 63 CO 0.02 0.06 -0.12 -0.47 -2.12 0.00 0.00 175.29 172.66 1cyq s TYR 64 N -1.79 2.83 -0.03 0.91 5.04 0.68 -2.31 117.35 122.68 1cyq s TYR 64 Ca -0.04 -0.58 0.05 0.00 -2.44 0.00 0.00 57.07 54.06 1cyq s TYR 64 Cb -0.07 -1.84 -0.01 0.00 0.35 0.00 0.00 41.96 40.39 1cyq s TYR 64 CO -0.00 -0.17 -0.17 0.21 -1.34 0.00 0.00 175.55 174.08 1cyq s LYS 65 N 0.28 1.66 -0.00 4.97 2.20 0.00 -0.70 119.74 128.15 1cyq s LYS 65 Ca -0.09 -0.62 0.00 0.00 -0.36 0.00 0.00 55.97 54.90 1cyq s LYS 65 Cb -0.15 -1.50 0.00 0.00 -1.51 0.00 0.00 37.83 34.67 1cyq s LYS 65 CO 0.05 0.30 0.00 1.03 -0.36 0.00 0.00 175.35 176.37 1cyq s ARG 66 N -0.14 0.02 -0.26 4.03 1.81 -0.17 -4.59 118.95 119.65 1cyq s ARG 66 Ca 0.00 0.02 -0.08 0.00 -1.72 0.00 0.00 55.73 53.95 1cyq s ARG 66 Cb -0.10 -0.06 -0.03 0.00 -0.45 0.00 0.00 34.95 34.31 1cyq s ARG 66 CO 0.01 -0.02 0.10 0.99 -0.68 0.00 0.00 175.30 175.70 1cyq s THR 67 N 0.16 4.46 -0.19 0.02 2.01 -1.26 -0.50 115.64 120.35 1cyq s THR 67 Ca -0.01 -0.17 0.01 0.00 0.31 0.00 0.00 61.69 61.83 1cyq s THR 67 Cb -0.02 -3.12 0.03 0.00 0.01 0.00 0.00 72.50 69.40 1cyq s THR 67 CO -0.00 0.29 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.42 1cyq s ILE 68 N 1.63 1.97 -1.29 1.82 1.01 -0.47 -4.73 121.20 121.14 1cyq s ILE 68 Ca 0.06 -1.02 -0.00 0.00 0.00 0.00 0.00 60.65 59.69 1cyq s ILE 68 Cb -0.15 -1.86 -0.00 0.00 0.01 0.00 0.00 42.46 40.45 1cyq s ILE 68 CO 0.05 0.40 0.74 0.59 0.00 0.00 0.00 174.94 176.71 1cyq n ASN 69 N 4.62 -1.38 0.00 3.58 3.02 -1.26 -2.03 115.26 121.81 1cyq n ASN 69 Ca -0.19 -0.80 0.00 0.00 -0.03 0.00 0.00 54.58 53.57 1cyq n ASN 69 Cb 0.48 -4.20 0.00 0.00 -0.61 0.00 0.00 39.78 35.45 1cyq n ASN 69 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1cyq n GLN 70 N -4.24 0.00 -4.15 3.52 6.02 -1.26 -4.98 117.38 112.29 1cyq n GLN 70 Ca -0.29 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.35 1cyq n GLN 70 Cb 0.68 -2.69 -0.13 0.00 1.02 0.00 0.00 30.24 29.12 1cyq n GLN 70 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1cyq s VAL 71 N -2.56 3.90 0.00 5.09 0.11 -0.86 -5.08 120.40 121.00 1cyq s VAL 71 Ca 0.00 -0.34 -0.30 0.00 -2.93 0.00 0.00 61.98 58.41 1cyq s VAL 71 Cb 0.00 -2.75 -0.04 0.00 -1.53 0.00 0.00 36.38 32.06 1cyq s VAL 71 CO 0.00 0.44 1.14 -0.69 -3.33 0.00 0.00 175.10 172.66 1cyq s VAL 72 N 0.87 4.33 -0.01 2.04 1.01 -1.26 -1.37 120.40 126.01 1cyq s VAL 72 Ca 0.00 1.67 0.08 0.00 0.00 0.00 0.00 61.98 63.73 1cyq s VAL 72 Cb -0.14 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.15 1cyq s VAL 72 CO 0.02 0.08 -0.26 -1.00 0.00 0.00 0.00 175.10 173.94 1cyq s HIS 73 N 1.46 2.31 0.01 5.22 3.76 0.35 -4.99 115.29 123.40 1cyq s HIS 73 Ca 0.56 -0.43 0.01 0.00 -0.15 0.00 0.00 55.06 55.05 1cyq s HIS 73 Cb -0.25 -1.48 -0.01 0.00 1.11 0.00 0.00 32.58 31.95 1cyq s HIS 73 CO 0.26 -0.03 -0.05 0.50 -0.85 0.00 0.00 174.74 174.58 1cyq s ARG 74 N -0.65 0.37 0.06 1.40 3.52 -1.26 -1.00 118.95 121.39 1cyq s ARG 74 Ca 0.10 -0.29 0.01 0.00 -0.13 0.00 0.00 55.73 55.41 1cyq s ARG 74 Cb -0.10 -0.29 -0.04 0.00 -1.56 0.00 0.00 34.95 32.96 1cyq s ARG 74 CO -0.01 0.07 -0.05 -1.58 -0.81 0.00 0.00 175.30 172.93 1cyq s TRP 75 N -0.43 0.64 0.43 5.12 0.51 0.12 -4.97 118.94 120.37 1cyq s TRP 75 Ca -0.02 -0.84 -0.26 0.00 -2.12 0.00 0.00 56.10 52.86 1cyq s TRP 75 Cb -0.04 -0.41 -0.09 0.00 -0.81 0.00 0.00 33.47 32.13 1cyq s TRP 75 CO -0.00 -0.22 1.39 0.20 -0.51 0.00 0.00 176.95 177.81 1cyq s GLY 76 N -2.53 2.92 0.54 0.98 0.00 -1.26 -0.23 107.32 107.74 1cyq s GLY 76 Ca 0.03 1.40 0.21 0.00 0.00 0.00 0.00 44.72 46.36 1cyq s GLY 76 CO -0.05 2.02 2.14 1.48 0.00 0.00 0.00 173.10 178.68 1cyq h SER 77 N 2.49 0.00 0.24 1.64 4.64 -1.48 -2.22 113.55 118.86 1cyq h SER 77 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1cyq h SER 77 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1cyq h SER 77 CO 0.62 0.00 -0.37 1.41 -0.87 0.00 0.00 176.83 177.62 1cyq n HIS 78 N -4.33 0.00 0.23 4.77 8.25 -1.26 -4.29 115.22 118.59 1cyq n HIS 78 Ca -0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.57 1cyq n HIS 78 Cb 0.20 -0.12 0.11 0.00 1.12 0.00 0.00 29.99 31.29 1cyq n HIS 78 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1cyq h THR 79 N 1.10 0.00 -0.85 1.59 1.35 -1.76 -3.40 112.91 110.94 1cyq h THR 79 Ca 0.00 -0.91 0.18 0.00 -0.55 0.00 0.00 66.41 65.13 1cyq h THR 79 Cb 0.54 1.63 -0.11 0.00 -1.73 0.00 0.00 68.15 68.48 1cyq h THR 79 CO 0.00 0.00 0.39 0.58 -0.25 0.00 0.00 175.52 176.24 1cyq h VAL 80 N 0.00 0.60 -0.11 6.82 2.07 -1.75 -1.42 116.25 122.46 1cyq h VAL 80 Ca 0.00 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.38 1cyq h VAL 80 Cb 0.95 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1cyq h VAL 80 CO 0.00 0.09 0.17 -0.65 0.02 0.00 0.00 177.57 177.20 1cyq h PRO 81 N 0.49 0.00 -0.35 1.57 0.11 -1.91 -2.89 132.00 129.02 1cyq h PRO 81 Ca 0.50 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.61 1cyq h PRO 81 Cb 0.84 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.94 1cyq h PRO 81 CO -0.45 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.53 1cyq n PHE 82 N -3.51 1.27 0.30 0.65 3.72 -0.54 -4.65 117.46 114.71 1cyq n PHE 82 Ca -0.00 -0.85 0.18 0.00 -0.05 0.00 0.00 57.45 56.74 1cyq n PHE 82 Cb 0.27 -0.38 0.97 0.00 -0.94 0.00 0.00 39.48 39.40 1cyq n PHE 82 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1cyq h LEU 83 N 2.41 0.00 -2.87 4.37 4.07 -1.58 -1.54 115.31 120.16 1cyq h LEU 83 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1cyq h LEU 83 Cb 1.61 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.35 1cyq h LEU 83 CO 0.30 0.03 0.00 0.18 -1.08 0.00 0.00 178.44 177.87 1cyq n LEU 84 N -3.34 4.18 -4.86 1.67 4.32 -1.26 -4.97 117.00 112.75 1cyq n LEU 84 Ca -0.02 -2.14 -0.21 0.00 -0.02 0.00 0.00 56.01 53.62 1cyq n LEU 84 Cb 0.15 -0.51 -0.04 0.00 -1.62 0.00 0.00 43.42 41.40 1cyq n LEU 84 CO 0.25 0.93 -0.11 -1.61 -1.22 0.00 0.00 177.39 175.63 1cyq s GLU 85 N -1.25 2.91 0.58 3.23 0.41 -0.58 -5.08 118.70 118.92 1cyq s GLU 85 Ca 0.49 -1.11 -0.20 0.00 -0.41 0.00 0.00 54.97 53.74 1cyq s GLU 85 Cb 0.27 -2.58 -0.04 0.00 -1.78 0.00 0.00 34.13 30.00 1cyq s GLU 85 CO 0.30 0.27 1.30 -2.30 -0.49 0.00 0.00 175.26 174.34 1cyq n PRO 86 N -1.30 1.45 -0.18 0.39 -0.02 -1.26 -4.92 135.00 129.15 1cyq n PRO 86 Ca -0.05 0.54 0.11 0.00 -2.02 0.00 0.00 63.50 62.08 1cyq n PRO 86 Cb 0.58 -2.51 0.20 0.00 -0.02 0.00 0.00 33.50 31.75 1cyq n PRO 86 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1cyq n ASP 87 N -1.20 3.35 -3.77 2.55 5.68 -1.26 -4.91 116.55 117.00 1cyq n ASP 87 Ca 0.12 -1.96 -0.10 0.00 -0.50 0.00 0.00 54.79 52.36 1cyq n ASP 87 Cb 0.46 -0.24 -0.05 0.00 -1.14 0.00 0.00 41.12 40.15 1cyq n ASP 87 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1cyq s ASN 88 N -1.39 -0.17 -0.26 -1.12 2.20 -1.26 -0.84 114.94 112.09 1cyq s ASN 88 Ca 0.36 -0.53 -0.21 0.00 -0.94 0.00 0.00 52.86 51.54 1cyq s ASN 88 Cb 0.21 0.51 0.07 0.00 -2.00 0.00 0.00 41.25 40.05 1cyq s ASN 88 CO 0.29 -0.96 0.68 -0.51 -2.94 0.00 0.00 177.10 173.67 1cyq s ILE 89 N -3.88 -0.00 -1.44 0.54 1.10 0.19 -4.87 121.20 112.85 1cyq s ILE 89 Ca 0.09 0.00 -0.06 0.00 -0.51 0.00 0.00 60.65 60.17 1cyq s ILE 89 Cb 0.01 -0.97 0.03 0.00 0.15 0.00 0.00 42.46 41.68 1cyq s ILE 89 CO -0.05 0.00 0.52 0.59 -2.11 0.00 0.00 174.94 173.90 1cyq n ASN 90 N 3.37 -5.11 -0.63 4.50 5.03 -1.26 -0.42 115.26 120.73 1cyq n ASN 90 Ca -0.17 -0.30 -0.08 0.00 0.87 0.00 0.00 54.58 54.90 1cyq n ASN 90 Cb 0.57 -4.17 -0.04 0.00 -1.02 0.00 0.00 39.78 35.12 1cyq n ASN 90 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1cyq n GLY 91 N -1.35 0.97 3.33 7.41 0.00 -1.26 -5.00 105.19 109.29 1cyq n GLY 91 Ca -0.08 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 1cyq n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cyq s LYS 92 N -2.44 2.09 0.26 1.61 1.02 0.44 -5.11 119.74 117.61 1cyq s LYS 92 Ca 0.00 -0.94 -0.30 0.00 0.02 0.00 0.00 55.97 54.76 1cyq s LYS 92 Cb 0.00 -2.06 -0.10 0.00 -0.52 0.00 0.00 37.83 35.15 1cyq s LYS 92 CO 0.00 0.56 1.31 0.99 -0.92 0.00 0.00 175.35 177.28 1cyq s THR 93 N -0.65 2.98 0.25 2.17 2.01 -1.26 -0.64 115.64 120.49 1cyq s THR 93 Ca 0.10 0.88 -0.30 0.00 0.31 0.00 0.00 61.69 62.69 1cyq s THR 93 Cb -0.10 -3.56 -0.09 0.00 0.01 0.00 0.00 72.50 68.76 1cyq s THR 93 CO -0.00 0.17 0.95 0.00 -0.69 0.00 0.00 174.62 175.04 1cyq s THR 95 N -1.22 1.18 -0.22 0.00 -4.23 0.33 -4.87 115.64 106.61 1cyq s THR 95 Ca 0.42 -1.63 -0.29 0.00 -1.18 0.00 0.00 61.69 59.01 1cyq s THR 95 Cb -0.26 -1.41 -0.00 0.00 1.34 0.00 0.00 72.50 72.17 1cyq s THR 95 CO 0.32 -0.43 1.23 0.00 -0.54 0.00 0.00 174.62 175.19 1cyq s ALA 96 N -2.10 3.58 -0.31 3.99 0.00 -1.26 -1.72 121.76 123.94 1cyq s ALA 96 Ca 0.06 0.29 -0.06 0.00 0.00 0.00 0.00 51.96 52.25 1cyq s ALA 96 Cb -0.05 -3.66 0.02 0.00 0.00 0.00 0.00 23.12 19.43 1cyq s ALA 96 CO 0.02 -1.34 0.08 0.45 0.00 0.00 0.00 175.76 174.97 1cyq s SER 97 N 2.06 5.14 -0.75 0.00 0.15 0.50 -4.95 113.70 115.85 1cyq s SER 97 Ca 0.53 -0.85 -0.27 0.00 0.70 0.00 0.00 55.95 56.06 1cyq s SER 97 Cb -0.19 -1.86 0.02 0.00 -1.71 0.00 0.00 66.02 62.28 1cyq s SER 97 CO 0.16 -0.23 1.37 0.00 1.20 0.00 0.00 173.24 175.73 1cyq s ALA 98 N 1.46 2.67 0.55 5.45 0.00 -1.26 -1.49 121.76 129.13 1cyq s ALA 98 Ca 0.01 -1.35 0.24 0.00 0.00 0.00 0.00 51.96 50.86 1cyq s ALA 98 Cb -0.18 -4.29 1.56 0.00 0.00 0.00 0.00 23.12 20.22 1cyq s ALA 98 CO 0.02 -3.40 2.20 -0.07 0.00 0.00 0.00 175.76 174.51 1cyq h LEU 99 N 13.46 0.00 -0.43 0.00 4.07 -0.93 -0.98 115.31 130.49 1cyq h LEU 99 Ca -0.24 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.72 1cyq h LEU 99 Cb 1.06 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.80 1cyq h LEU 99 CO 1.28 0.01 -0.23 0.00 -1.08 0.00 0.00 178.44 178.43 1cyq n HIS 101 N -0.73 -1.83 -3.84 0.00 8.25 -0.37 -4.95 115.22 111.75 1cyq n HIS 101 Ca 0.12 0.45 -0.30 0.00 -0.26 0.00 0.00 57.72 57.73 1cyq n HIS 101 Cb 0.33 -3.69 -0.15 0.00 1.12 0.00 0.00 29.99 27.60 1cyq n HIS 101 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1cyq s ASN 102 N -2.65 4.27 0.27 0.41 2.47 -1.26 -5.03 114.94 113.41 1cyq s ASN 102 Ca 0.32 -1.79 -0.01 0.00 0.42 0.00 0.00 52.86 51.80 1cyq s ASN 102 Cb -0.16 -1.14 0.53 0.00 -1.45 0.00 0.00 41.25 39.04 1cyq s ASN 102 CO 0.39 -0.39 1.78 0.74 -3.72 0.00 0.00 177.10 175.89 1cyq h THR 103 N 6.54 0.77 0.00 -5.21 2.02 -1.97 -1.71 112.91 113.35 1cyq h THR 103 Ca -0.10 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 1cyq h THR 103 Cb 1.02 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.44 1cyq h THR 103 CO 0.48 0.13 -0.09 0.03 0.37 0.00 0.00 175.52 176.44 1cyq h ARG 104 N 0.69 0.00 -6.86 6.66 3.08 -1.93 -3.44 114.38 112.58 1cyq h ARG 104 Ca 0.47 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 60.00 1cyq h ARG 104 Cb 0.62 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.72 1cyq h ARG 104 CO -0.34 0.09 0.61 0.00 -1.07 0.00 0.00 179.97 179.26 1cyq n HIS 106 N 0.97 0.00 -1.94 0.00 8.25 0.30 -4.93 115.22 117.87 1cyq n HIS 106 Ca 0.00 -0.55 -0.43 0.00 -0.26 0.00 0.00 57.72 56.48 1cyq n HIS 106 Cb 0.42 -0.10 -0.03 0.00 1.12 0.00 0.00 29.99 31.41 1cyq n HIS 106 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1cyq s ASN 107 N -1.89 6.15 0.63 0.41 3.84 -1.26 -4.87 114.94 117.95 1cyq s ASN 107 Ca 0.16 1.77 0.36 0.00 0.21 0.00 0.00 52.86 55.37 1cyq s ASN 107 Cb 0.14 -2.53 2.10 0.00 -0.55 0.00 0.00 41.25 40.41 1cyq s ASN 107 CO 0.02 -1.42 2.31 1.55 -2.79 0.00 0.00 177.10 176.76 1cyq h PRO 108 N 11.81 0.00 0.00 0.43 0.13 -1.96 0.96 132.00 143.38 1cyq h PRO 108 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1cyq h PRO 108 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1cyq h PRO 108 CO 0.99 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 180.04 1cyq n LEU 109 N -3.51 0.00 -0.34 1.56 4.77 -1.26 -2.71 117.00 115.51 1cyq n LEU 109 Ca -0.03 0.03 0.03 0.00 -0.03 0.00 0.00 56.01 56.01 1cyq n LEU 109 Cb 0.08 -0.03 0.08 0.00 -2.33 0.00 0.00 43.42 41.21 1cyq n LEU 109 CO 0.24 -0.00 0.55 1.41 -1.33 0.00 0.00 177.39 178.25 1cyq n HIS 110 N -1.03 0.23 -4.33 -1.77 8.25 0.33 -5.03 115.22 111.87 1cyq n HIS 110 Ca 0.20 -0.45 -0.25 0.00 -0.26 0.00 0.00 57.72 56.96 1cyq n HIS 110 Cb 0.11 -0.03 -0.12 0.00 1.12 0.00 0.00 29.99 31.06 1cyq n HIS 110 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1cyq s LEU 111 N -0.95 2.34 0.19 2.41 1.43 -1.10 -0.19 118.68 122.82 1cyq s LEU 111 Ca 0.12 -0.75 -0.00 0.00 -1.03 0.00 0.00 54.13 52.47 1cyq s LEU 111 Cb 0.06 -0.96 -0.04 0.00 0.03 0.00 0.00 46.19 45.28 1cyq s LEU 111 CO 0.08 0.07 0.08 0.00 0.23 0.00 0.00 176.35 176.82 1cyq s TRP 113 N -3.96 3.41 0.35 0.00 -0.00 -1.26 -0.37 118.94 117.12 1cyq s TRP 113 Ca 0.33 -2.37 -0.11 0.00 -0.00 0.00 0.00 56.10 53.94 1cyq s TRP 113 Cb 0.07 -2.33 0.03 0.00 -0.00 0.00 0.00 33.47 31.24 1cyq s TRP 113 CO 0.09 -0.88 0.64 -1.83 -0.00 0.00 0.00 176.95 174.96 1cyq s GLU 114 N 1.10 2.03 0.80 5.86 -1.05 -0.70 -4.85 118.70 121.88 1cyq s GLU 114 Ca -0.02 -1.50 -0.12 0.00 -0.15 0.00 0.00 54.97 53.18 1cyq s GLU 114 Cb -0.20 0.55 0.08 0.00 -0.44 0.00 0.00 34.13 34.11 1cyq s GLU 114 CO -0.05 -0.90 1.14 -1.54 0.95 0.00 0.00 175.26 174.87 1cyq s SER 115 N -3.11 3.94 0.35 0.83 1.04 -1.26 0.12 113.70 115.60 1cyq s SER 115 Ca 0.21 2.12 0.03 0.00 0.48 0.00 0.00 55.95 58.79 1cyq s SER 115 Cb -0.03 -2.56 0.63 0.00 0.10 0.00 0.00 66.02 64.16 1cyq s SER 115 CO 0.14 -2.42 1.97 0.25 0.98 0.00 0.00 173.24 174.15 1cyq h LEU 116 N -1.02 0.65 -0.39 2.42 5.85 -1.93 0.74 115.31 121.63 1cyq h LEU 116 Ca -0.45 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.17 1cyq h LEU 116 Cb 1.26 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 1cyq h LEU 116 CO 0.48 0.54 0.04 0.44 -0.34 0.00 0.00 178.44 179.60 1cyq h ASP 117 N 0.74 0.65 -0.54 1.25 3.45 -1.94 0.99 116.42 121.01 1cyq h ASP 117 Ca 0.19 -0.28 -0.05 0.00 0.43 0.00 0.00 57.03 57.32 1cyq h ASP 117 Cb 0.04 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 38.62 1cyq h ASP 117 CO -0.03 0.77 0.16 0.44 -1.57 0.00 0.00 179.24 179.01 1cyq h ASP 118 N 0.51 0.80 0.42 6.45 3.45 -1.82 -2.07 116.42 124.16 1cyq h ASP 118 Ca 0.12 -0.21 -0.01 0.00 0.43 0.00 0.00 57.03 57.35 1cyq h ASP 118 Cb 0.41 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 38.96 1cyq h ASP 118 CO 0.01 0.80 -0.32 -1.13 -1.57 0.00 0.00 179.24 177.03 1cyq h ASN 119 N 0.75 -0.83 -0.47 6.45 -0.73 -0.63 -3.12 115.58 117.00 1cyq h ASN 119 Ca 0.17 0.06 0.03 0.00 1.87 0.00 0.00 56.30 58.44 1cyq h ASN 119 Cb 0.29 0.26 -0.04 0.00 0.27 0.00 0.00 38.32 39.11 1cyq h ASN 119 CO -0.00 -0.48 0.26 0.11 -0.37 0.00 0.00 177.43 176.95 1cyq h LYS 120 N -0.73 0.50 -0.54 6.67 1.57 -0.76 -2.91 116.57 120.37 1cyq h LYS 120 Ca -0.04 -0.03 0.16 0.00 -1.87 0.00 0.00 60.65 58.87 1cyq h LYS 120 Cb 0.63 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 1cyq h LYS 120 CO 0.00 0.33 0.51 0.78 -0.57 0.00 0.00 179.45 180.50 1cyq h GLY 121 N 0.52 0.00 2.00 3.86 0.00 -1.31 -0.96 103.07 107.18 1cyq h GLY 121 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1cyq h GLY 121 CO -0.12 0.00 0.00 3.21 0.00 0.00 0.00 176.54 179.63 1cyq h ARG 122 N 0.00 0.00 0.00 4.80 3.08 -1.53 -2.01 114.38 118.71 1cyq h ARG 122 Ca 0.26 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.30 1cyq h ARG 122 Cb 1.27 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.32 1cyq h ARG 122 CO -0.00 0.00 -0.06 -0.91 -1.07 0.00 0.00 179.97 177.93 1cyq h ASN 123 N 0.00 0.00 -0.17 7.04 2.35 -1.37 -2.78 115.58 120.65 1cyq h ASN 123 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1cyq h ASN 123 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1cyq h ASN 123 CO 0.00 0.06 0.00 0.79 -1.65 0.00 0.00 177.43 176.63 1cyq n TRP 124 N -3.52 0.22 -2.14 1.19 8.01 -0.76 -1.09 117.44 119.35 1cyq n TRP 124 Ca -0.02 -0.28 -0.41 0.00 -1.31 0.00 0.00 57.50 55.48 1cyq n TRP 124 Cb 0.18 -0.02 -0.02 0.00 -2.01 0.00 0.00 31.31 29.44 1cyq n TRP 124 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1cyq h PRO 126 N 4.01 0.00 0.00 0.00 0.13 -1.90 0.71 132.00 134.95 1cyq h PRO 126 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1cyq h PRO 126 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1cyq h PRO 126 CO 0.69 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.87 1cyq n GLY 127 N -0.59 2.38 0.33 1.56 0.00 -1.26 -3.90 105.19 103.71 1cyq n GLY 127 Ca -0.01 -2.00 0.21 0.00 0.00 0.00 0.00 46.02 44.22 1cyq n GLY 127 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cyq h PRO 128 N 0.00 0.00 -0.26 1.61 0.13 -1.68 -0.32 132.00 131.48 1cyq h PRO 128 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1cyq h PRO 128 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1cyq h PRO 128 CO 0.00 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 177.86 1cyq n ASN 129 N -3.19 2.69 -0.09 1.44 3.02 0.04 -4.57 115.26 114.60 1cyq n ASN 129 Ca -0.03 -1.98 0.02 0.00 -0.03 0.00 0.00 54.58 52.56 1cyq n ASN 129 Cb 0.10 -0.17 0.03 0.00 -0.61 0.00 0.00 39.78 39.13 1cyq n ASN 129 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1cyq n GLY 130 N 0.29 1.51 0.00 7.41 0.00 -0.63 -3.06 105.19 110.72 1cyq n GLY 130 Ca 0.09 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1cyq n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cyq n GLY 131 N -0.51 1.48 3.68 -0.02 0.00 -1.11 -4.68 105.19 104.04 1cyq n GLY 131 Ca 0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.61 1cyq n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cyq n VAL 133 N 3.45 1.07 -1.96 0.00 0.24 -1.26 -4.95 118.33 114.93 1cyq n VAL 133 Ca 0.16 -1.06 -0.42 0.00 -2.04 0.00 0.00 64.34 60.99 1cyq n VAL 133 Cb 0.30 0.46 -0.03 0.00 -1.47 0.00 0.00 33.84 33.10 1cyq n VAL 133 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1cyq s HIS 134 N -1.11 3.06 0.23 6.34 3.76 -1.26 -4.89 115.29 121.42 1cyq s HIS 134 Ca 0.20 0.72 -0.07 0.00 -0.15 0.00 0.00 55.06 55.76 1cyq s HIS 134 Cb 0.11 -3.90 0.30 0.00 1.11 0.00 0.00 32.58 30.20 1cyq s HIS 134 CO 0.13 -3.24 1.83 0.00 -0.85 0.00 0.00 174.74 172.61 1cyq h ALA 135 N 6.44 1.07 -2.04 -1.40 0.00 -2.05 -3.02 119.26 118.26 1cyq h ALA 135 Ca -0.43 0.00 -0.73 0.00 0.00 0.00 0.00 54.91 53.75 1cyq h ALA 135 Cb 1.21 -0.19 -0.22 0.00 0.00 0.00 0.00 17.79 18.59 1cyq h ALA 135 CO 0.88 0.18 -0.09 0.08 0.00 0.00 0.00 179.25 180.30 1cyq s VAL 136 N -6.07 5.05 0.40 0.00 1.01 -1.26 -5.03 120.40 114.50 1cyq s VAL 136 Ca -0.13 -1.23 -0.26 0.00 0.00 0.00 0.00 61.98 60.37 1cyq s VAL 136 Cb 0.18 -4.38 -0.10 0.00 0.00 0.00 0.00 36.38 32.07 1cyq s VAL 136 CO 0.78 -0.94 1.30 0.55 0.00 0.00 0.00 175.10 176.79 1cyq n VAL 137 N 5.37 2.39 -1.72 2.92 3.14 -1.14 -4.99 118.33 124.30 1cyq n VAL 137 Ca -0.12 -0.50 -0.34 0.00 -2.96 0.00 0.00 64.34 60.42 1cyq n VAL 137 Cb 0.41 -1.62 0.06 0.00 -1.06 0.00 0.00 33.84 31.63 1cyq n VAL 137 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1cyq h LEU 139 N 0.09 0.00 -8.17 0.00 3.38 -1.95 -3.37 115.31 105.30 1cyq h LEU 139 Ca -0.48 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 1cyq h LEU 139 Cb 1.27 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.95 1cyq h LEU 139 CO 0.53 0.16 0.02 0.00 0.09 0.00 0.00 178.44 179.24 1cyq s ARG 140 N -3.23 1.74 0.34 1.13 1.70 -1.26 -4.80 118.95 114.56 1cyq s ARG 140 Ca -0.01 -1.25 -0.27 0.00 -0.47 0.00 0.00 55.73 53.73 1cyq s ARG 140 Cb 0.09 0.53 -0.09 0.00 -0.57 0.00 0.00 34.95 34.91 1cyq s ARG 140 CO 0.79 -0.76 1.13 -1.14 -1.08 0.00 0.00 175.30 174.24 1cyq s GLN 141 N -3.68 4.39 0.37 3.89 0.74 0.15 -4.38 119.66 121.14 1cyq s GLN 141 Ca 0.19 1.80 -0.28 0.00 0.05 0.00 0.00 55.36 57.12 1cyq s GLN 141 Cb -0.03 -2.94 -0.10 0.00 1.10 0.00 0.00 33.01 31.04 1cyq s GLN 141 CO 0.10 -0.02 1.41 0.20 -0.55 0.00 0.00 175.29 176.43 1cyq s GLY 142 N -1.03 2.96 0.62 2.59 0.00 0.24 -4.87 107.32 107.84 1cyq s GLY 142 Ca 0.50 1.44 0.35 0.00 0.00 0.00 0.00 44.72 47.01 1cyq s GLY 142 CO 0.39 2.10 2.26 -2.55 0.00 0.00 0.00 173.10 175.30 1cyq h PRO 143 N 3.08 0.00 -0.06 2.90 0.11 -1.81 -2.28 132.00 133.94 1cyq h PRO 143 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1cyq h PRO 143 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1cyq h PRO 143 CO 0.64 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.71 1cyq n LEU 144 N -3.52 2.99 -4.76 2.35 4.32 -0.25 -4.98 117.00 113.17 1cyq n LEU 144 Ca -0.02 -1.04 -0.37 0.00 -0.02 0.00 0.00 56.01 54.55 1cyq n LEU 144 Cb 0.13 -0.02 0.03 0.00 -1.62 0.00 0.00 43.42 41.94 1cyq n LEU 144 CO 0.24 0.51 0.89 -0.47 -1.22 0.00 0.00 177.39 177.35 1cyq s TYR 145 N -1.91 2.46 -5.00 -1.77 6.14 -0.86 -4.83 117.35 111.57 1cyq s TYR 145 Ca 0.28 1.47 0.00 0.00 0.64 0.00 0.00 57.07 59.46 1cyq s TYR 145 Cb 0.20 -3.58 0.00 0.00 0.42 0.00 0.00 41.96 38.99 1cyq s TYR 145 CO 0.29 -2.32 0.00 0.41 0.64 0.00 0.00 175.55 174.57 1cyq n GLY 146 N 0.59 0.95 0.29 8.97 0.00 -1.26 -4.89 105.19 109.84 1cyq n GLY 146 Ca 0.11 -1.92 0.18 0.00 0.00 0.00 0.00 46.02 44.40 1cyq n GLY 146 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1cyq h PRO 147 N 6.82 0.00 0.00 1.61 0.11 -2.04 -3.49 132.00 135.01 1cyq h PRO 147 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1cyq h PRO 147 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1cyq h PRO 147 CO 0.00 0.03 0.00 0.41 -0.21 0.00 0.00 178.00 178.23 1cyq n GLY 148 N -0.45 -2.42 2.36 -0.55 0.00 -1.26 -4.76 105.19 98.11 1cyq n GLY 148 Ca -0.01 -1.64 -0.15 0.00 0.00 0.00 0.00 46.02 44.22 1cyq n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cyq n ALA 149 N -0.24 2.36 -2.03 4.61 0.00 -1.26 -5.10 120.51 118.84 1cyq n ALA 149 Ca 0.00 -3.23 -0.42 0.00 0.00 0.00 0.00 53.44 49.79 1cyq n ALA 149 Cb 0.00 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 18.48 1cyq n ALA 149 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1cyq s THR 150 N -2.54 2.93 -0.03 0.00 2.01 -1.26 -4.95 115.64 111.81 1cyq s THR 150 Ca 0.35 0.65 -0.21 0.00 0.31 0.00 0.00 61.69 62.79 1cyq s THR 150 Cb 0.38 -3.42 -0.30 0.00 0.01 0.00 0.00 72.50 69.18 1cyq s THR 150 CO -0.04 0.05 0.95 0.58 -0.69 0.00 0.00 174.62 175.47 1cyq h VAL 151 N 4.17 1.48 -3.63 3.82 2.07 -2.03 -3.46 116.25 118.67 1cyq h VAL 151 Ca -0.42 -2.44 -0.22 0.00 0.82 0.00 0.00 66.70 64.44 1cyq h VAL 151 Cb 1.21 3.05 -0.28 0.00 -1.52 0.00 0.00 31.29 33.75 1cyq h VAL 151 CO 0.90 0.70 -0.68 0.00 0.02 0.00 0.00 177.57 178.50 1cyq s ALA 152 N -2.63 -0.09 0.42 1.67 0.00 -1.26 -5.17 121.76 114.71 1cyq s ALA 152 Ca -0.13 0.12 0.05 0.00 0.00 0.00 0.00 51.96 52.00 1cyq s ALA 152 Cb 0.02 -0.07 0.07 0.00 0.00 0.00 0.00 23.12 23.13 1cyq s ALA 152 CO 0.84 -0.02 0.53 0.41 0.00 0.00 0.00 175.76 177.51 1cyq n GLY 153 N 3.13 1.67 3.69 0.00 0.00 -1.26 -5.04 105.19 107.39 1cyq n GLY 153 Ca -0.13 -2.15 -0.44 0.00 0.00 0.00 0.00 46.02 43.30 1cyq n GLY 153 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1cyq n PRO 154 N -1.87 2.47 -3.46 1.61 -0.02 -1.26 -4.98 135.00 127.49 1cyq n PRO 154 Ca 0.10 0.89 -0.13 0.00 -2.02 0.00 0.00 63.50 62.34 1cyq n PRO 154 Cb 0.37 -2.70 -0.03 0.00 -0.02 0.00 0.00 33.50 31.12 1cyq n PRO 154 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1cyq s GLN 155 N 1.05 1.14 0.01 -0.52 -2.07 -1.26 -5.18 119.66 112.83 1cyq s GLN 155 Ca 0.77 -0.23 -0.04 0.00 -1.82 0.00 0.00 55.36 54.05 1cyq s GLN 155 Cb -0.59 0.53 -0.01 0.00 -1.09 0.00 0.00 33.01 31.85 1cyq s GLN 155 CO 0.35 -0.46 0.05 1.14 -1.32 0.00 0.00 175.29 175.05 1cyq s GLN 156 N -2.88 0.40 -0.05 9.60 -2.07 -1.26 -5.06 119.66 118.34 1cyq s GLN 156 Ca -0.02 -0.51 -0.03 0.00 -1.82 0.00 0.00 55.36 52.98 1cyq s GLN 156 Cb -0.01 0.16 -0.27 0.00 -1.09 0.00 0.00 33.01 31.80 1cyq s GLN 156 CO -0.06 -0.08 0.66 0.00 -1.32 0.00 0.00 175.29 174.49 1cyq h ARG 157 N 4.45 0.23 0.00 9.60 3.08 -2.03 -3.48 114.38 126.23 1cyq h ARG 157 Ca -0.31 -0.40 0.00 0.00 0.07 0.00 0.00 59.98 59.34 1cyq h ARG 157 Cb 1.20 0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.40 1cyq h ARG 157 CO 0.41 1.07 0.00 0.41 -1.07 0.00 0.00 179.97 180.79 1cyq n GLY 158 N 1.77 1.95 1.77 0.04 0.00 -1.26 -5.06 105.19 104.40 1cyq n GLY 158 Ca -0.22 -1.76 0.03 0.00 0.00 0.00 0.00 46.02 44.07 1cyq n GLY 158 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cyq n SER 159 N 0.00 1.13 0.21 1.61 3.41 -1.26 -4.87 113.62 113.86 1cyq n SER 159 Ca 0.00 -2.02 0.10 0.00 -0.26 0.00 0.00 58.87 56.69 1cyq n SER 159 Cb 0.00 -0.34 0.29 0.00 -0.26 0.00 0.00 64.21 63.90 1cyq n SER 159 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1cyq h HIS 160 N 1.34 0.00 -2.54 7.33 3.86 -2.00 -3.46 115.15 119.68 1cyq h HIS 160 Ca -0.21 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.40 1cyq h HIS 160 Cb 1.76 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 30.10 1cyq h HIS 160 CO 0.25 0.17 -0.72 -0.06 0.86 0.00 0.00 177.93 178.43 1cyq s PHE 161 N -3.33 2.53 0.01 2.45 0.40 -1.26 -5.13 117.98 113.65 1cyq s PHE 161 Ca 0.04 -0.26 0.01 0.00 -0.60 0.00 0.00 56.93 56.12 1cyq s PHE 161 Cb 0.07 -1.16 -0.01 0.00 0.51 0.00 0.00 43.02 42.43 1cyq s PHE 161 CO 0.66 0.60 -0.04 0.54 0.70 0.00 0.00 175.22 177.68 1cyq s VAL 162 N -2.13 0.29 -2.00 -0.44 0.11 -1.26 -5.13 120.40 109.84 1cyq s VAL 162 Ca 0.28 -0.41 0.13 0.00 -2.93 0.00 0.00 61.98 59.06 1cyq s VAL 162 Cb -0.07 -0.30 0.38 0.00 -1.53 0.00 0.00 36.38 34.86 1cyq s VAL 162 CO 0.16 -0.08 1.22 1.33 -3.33 0.00 0.00 175.10 174.40