#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ycq s LYS 22 N 0.00 2.84 -0.00 3.49 1.02 -1.26 -4.96 119.74 120.87 1ycq s LYS 22 Ca 0.00 1.75 -0.05 0.00 0.02 0.00 0.00 55.97 57.69 1ycq s LYS 22 Cb 0.00 -1.92 -0.04 0.00 -0.52 0.00 0.00 37.83 35.35 1ycq s LYS 22 CO 0.00 -1.29 0.23 -0.51 -0.92 0.00 0.00 175.35 172.86 1ycq s LEU 23 N -4.33 4.37 0.08 3.17 1.43 -1.26 -4.39 118.68 117.75 1ycq s LEU 23 Ca 0.75 0.45 0.08 0.00 -1.03 0.00 0.00 54.13 54.38 1ycq s LEU 23 Cb -0.28 -2.64 -0.03 0.00 0.03 0.00 0.00 46.19 43.26 1ycq s LEU 23 CO 0.36 0.26 -0.20 0.68 0.23 0.00 0.00 176.35 177.67 1ycq s VAL 24 N -1.31 1.66 -0.34 -1.59 -7.23 -0.23 -0.56 120.40 110.80 1ycq s VAL 24 Ca 0.27 -1.40 -0.01 0.00 -1.81 0.00 0.00 61.98 59.03 1ycq s VAL 24 Cb -0.13 -1.49 0.07 0.00 0.56 0.00 0.00 36.38 35.40 1ycq s VAL 24 CO 0.17 0.02 0.06 -1.58 -0.31 0.00 0.00 175.10 173.47 1ycq s GLN 25 N -1.63 2.19 0.70 4.82 0.74 0.90 -2.81 119.66 124.57 1ycq s GLN 25 Ca 0.06 -1.50 -0.15 0.00 0.05 0.00 0.00 55.36 53.83 1ycq s GLN 25 Cb -0.10 -3.30 0.02 0.00 1.10 0.00 0.00 33.01 30.74 1ycq s GLN 25 CO 0.03 -0.79 1.14 -1.25 -0.55 0.00 0.00 175.29 173.87 1ycq s PRO 26 N 1.18 2.48 0.95 1.67 0.04 -1.26 0.23 135.00 140.28 1ycq s PRO 26 Ca 0.00 1.50 -0.12 0.00 0.04 0.00 0.00 61.00 62.43 1ycq s PRO 26 Cb -0.21 -1.90 0.16 0.00 0.04 0.00 0.00 34.50 32.59 1ycq s PRO 26 CO -0.03 -1.52 1.09 0.95 0.04 0.00 0.00 177.00 177.53 1ycq s THR 27 N -2.27 2.37 0.27 1.26 -4.23 -0.75 -4.57 115.64 107.72 1ycq s THR 27 Ca 0.69 0.12 0.00 0.00 -1.18 0.00 0.00 61.69 61.32 1ycq s THR 27 Cb -0.23 -2.60 0.25 0.00 1.34 0.00 0.00 72.50 71.27 1ycq s THR 27 CO 0.44 -0.16 1.75 -0.65 -0.54 0.00 0.00 174.62 175.46 1ycq h PRO 28 N -1.74 0.58 0.06 3.99 0.11 -1.96 0.06 132.00 133.11 1ycq h PRO 28 Ca -0.52 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.55 1ycq h PRO 28 Cb 1.31 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ycq h PRO 28 CO 0.56 0.38 -0.03 1.25 -0.21 0.00 0.00 178.00 179.95 1ycq h LEU 29 N 0.59 -0.07 -1.18 2.35 5.85 -1.97 -0.95 115.31 119.94 1ycq h LEU 29 Ca 0.49 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1ycq h LEU 29 Cb 0.74 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 1ycq h LEU 29 CO -0.39 0.24 0.52 0.25 -0.34 0.00 0.00 178.44 178.72 1ycq h LEU 30 N -0.38 0.94 -0.51 2.25 5.85 -1.84 -2.30 115.31 119.32 1ycq h LEU 30 Ca -0.01 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1ycq h LEU 30 Cb 0.34 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1ycq h LEU 30 CO 0.01 0.69 0.29 0.25 -0.34 0.00 0.00 178.44 179.34 1ycq h LEU 31 N 1.10 0.63 -1.59 2.25 6.46 -0.77 -2.12 115.31 121.28 1ycq h LEU 31 Ca 0.30 -0.08 -0.04 0.00 -0.12 0.00 0.00 57.88 57.93 1ycq h LEU 31 Cb -0.11 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 39.66 1ycq h LEU 31 CO -0.06 0.53 -0.20 0.77 -0.62 0.00 0.00 178.44 178.86 1ycq h SER 32 N 0.68 0.01 -0.06 1.25 4.64 -0.62 -0.80 113.55 118.65 1ycq h SER 32 Ca 0.18 -0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.43 1ycq h SER 32 Cb 0.03 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1ycq h SER 32 CO -0.03 0.21 -0.23 -0.07 -0.87 0.00 0.00 176.83 175.84 1ycq h LEU 33 N 0.01 0.30 -0.40 5.97 3.38 -1.10 -2.03 115.31 121.44 1ycq h LEU 33 Ca 0.00 -0.63 0.02 0.00 0.09 0.00 0.00 57.88 57.36 1ycq h LEU 33 Cb 0.36 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1ycq h LEU 33 CO 0.03 0.89 0.22 -0.07 0.09 0.00 0.00 178.44 179.59 1ycq h LEU 34 N -0.26 0.34 -0.76 1.67 3.38 -1.12 -1.86 115.31 116.70 1ycq h LEU 34 Ca -0.01 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1ycq h LEU 34 Cb 0.87 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.51 1ycq h LEU 34 CO 0.05 0.25 0.48 0.11 0.09 0.00 0.00 178.44 179.41 1ycq h LYS 35 N 0.45 0.88 0.00 1.13 1.79 -1.17 0.90 116.57 120.55 1ycq h LYS 35 Ca 0.17 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1ycq h LYS 35 Cb 0.04 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 30.49 1ycq h LYS 35 CO -0.10 0.58 0.00 0.66 -1.08 0.00 0.00 179.45 179.52 1ycq h SER 36 N 0.91 0.00 -0.49 0.86 4.64 -0.92 -1.01 113.55 117.54 1ycq h SER 36 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1ycq h SER 36 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1ycq h SER 36 CO -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.83 1ycq n ALA 37 N -1.94 2.57 0.00 5.18 0.00 0.25 -4.92 120.51 121.66 1ycq n ALA 37 Ca 0.01 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.51 1ycq n ALA 37 Cb 0.26 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.73 1ycq n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ycq n GLY 38 N 1.17 0.41 3.76 0.00 0.00 -0.39 -4.84 105.19 105.30 1ycq n GLY 38 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1ycq n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ycq s ALA 39 N -2.00 2.86 -0.17 4.61 0.00 -0.83 -4.96 121.76 121.27 1ycq s ALA 39 Ca 0.00 1.11 0.03 0.00 0.00 0.00 0.00 51.96 53.09 1ycq s ALA 39 Cb 0.00 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 1ycq s ALA 39 CO 0.00 -1.01 0.20 1.04 0.00 0.00 0.00 175.76 176.00 1ycq n GLN 40 N -0.83 4.84 -1.46 0.00 6.02 -1.26 -4.46 117.38 120.23 1ycq n GLN 40 Ca 0.09 -0.13 -0.07 0.00 -0.01 0.00 0.00 57.00 56.89 1ycq n GLN 40 Cb 0.47 -0.70 0.03 0.00 1.02 0.00 0.00 30.24 31.05 1ycq n GLN 40 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1ycq n LYS 41 N -0.82 0.67 0.00 -1.09 5.02 -1.26 -5.03 118.16 115.65 1ycq n LYS 41 Ca 0.01 -0.93 0.00 0.00 -2.02 0.00 0.00 58.31 55.37 1ycq n LYS 41 Cb 0.05 -0.13 0.00 0.00 -0.02 0.00 0.00 35.03 34.92 1ycq n LYS 41 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1ycq n GLU 42 N -1.47 3.77 -4.26 1.97 4.07 -1.26 -4.97 120.64 118.48 1ycq n GLU 42 Ca 0.05 0.00 -0.19 0.00 -0.06 0.00 0.00 57.16 56.96 1ycq n GLU 42 Cb 0.19 -0.27 -0.16 0.00 -0.06 0.00 0.00 31.44 31.14 1ycq n GLU 42 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 1ycq s THR 43 N -0.54 0.62 0.26 6.31 2.01 -1.26 -4.46 115.64 118.58 1ycq s THR 43 Ca 0.00 -0.25 -0.01 0.00 0.31 0.00 0.00 61.69 61.74 1ycq s THR 43 Cb 0.00 -0.58 -0.03 0.00 0.01 0.00 0.00 72.50 71.91 1ycq s THR 43 CO 0.00 0.21 0.28 -0.36 -0.69 0.00 0.00 174.62 174.06 1ycq s PHE 44 N 0.38 1.17 0.47 4.92 0.40 -1.12 -4.96 117.98 119.23 1ycq s PHE 44 Ca -0.05 -1.34 0.02 0.00 -0.60 0.00 0.00 56.93 54.96 1ycq s PHE 44 Cb -0.09 -0.41 0.01 0.00 0.51 0.00 0.00 43.02 43.04 1ycq s PHE 44 CO 0.00 -0.83 0.67 0.95 0.70 0.00 0.00 175.22 176.71 1ycq s THR 45 N -3.78 3.38 0.43 0.64 -4.23 -1.26 -1.07 115.64 109.75 1ycq s THR 45 Ca 0.36 -0.68 0.09 0.00 -1.18 0.00 0.00 61.69 60.28 1ycq s THR 45 Cb 0.03 -3.23 0.25 0.00 1.34 0.00 0.00 72.50 70.89 1ycq s THR 45 CO 0.17 -0.14 2.06 0.24 -0.54 0.00 0.00 174.62 176.40 1ycq h MET 46 N 0.36 0.37 -0.24 3.99 2.86 -1.97 -1.93 114.93 118.37 1ycq h MET 46 Ca -0.44 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.12 1ycq h MET 46 Cb 1.27 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 1ycq h MET 46 CO 0.53 0.28 -0.10 0.87 1.06 0.00 0.00 176.91 179.56 1ycq h LYS 47 N 0.37 0.38 -0.04 1.72 1.57 -1.96 0.03 116.57 118.64 1ycq h LYS 47 Ca 0.10 -0.09 -0.25 0.00 -1.87 0.00 0.00 60.65 58.54 1ycq h LYS 47 Cb 0.02 -0.05 0.02 0.00 0.08 0.00 0.00 32.23 32.30 1ycq h LYS 47 CO -0.02 0.48 -0.95 0.93 -0.57 0.00 0.00 179.45 179.32 1ycq h GLU 48 N 0.36 0.68 -0.21 3.15 5.08 -1.75 -0.64 114.58 121.24 1ycq h GLU 48 Ca 0.07 -0.68 0.01 0.00 -1.00 0.00 0.00 59.36 57.76 1ycq h GLU 48 Cb 0.39 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1ycq h GLU 48 CO 0.02 1.27 0.13 0.28 -1.00 0.00 0.00 179.01 179.71 1ycq h VAL 49 N 0.41 1.04 -0.63 3.13 2.07 -1.06 0.64 116.25 121.85 1ycq h VAL 49 Ca -0.10 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 67.27 1ycq h VAL 49 Cb 1.59 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 32.08 1ycq h VAL 49 CO 0.19 0.05 0.19 0.40 0.02 0.00 0.00 177.57 178.41 1ycq h ILE 50 N 0.27 1.25 -0.02 4.57 1.08 -0.98 -0.49 117.51 123.19 1ycq h ILE 50 Ca 0.08 -0.86 -0.00 0.00 -0.39 0.00 0.00 64.86 63.69 1ycq h ILE 50 Cb -0.02 0.62 -0.00 0.00 -3.07 0.00 0.00 36.82 34.35 1ycq h ILE 50 CO -0.03 0.33 0.01 0.22 -0.69 0.00 0.00 178.15 177.99 1ycq h TYR 51 N 0.91 0.03 -0.31 1.37 3.20 -0.86 -2.24 116.97 119.06 1ycq h TYR 51 Ca 0.20 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.01 1ycq h TYR 51 Cb 0.31 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 1ycq h TYR 51 CO 0.02 0.07 -0.07 0.45 -1.64 0.00 0.00 178.16 177.00 1ycq h HIS 52 N -0.02 0.53 -0.52 -3.82 3.86 -0.62 -2.78 115.15 111.79 1ycq h HIS 52 Ca 0.01 -0.07 -0.10 0.00 -1.16 0.00 0.00 60.37 59.05 1ycq h HIS 52 Cb 0.05 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.35 1ycq h HIS 52 CO -0.06 0.57 -0.07 1.25 0.86 0.00 0.00 177.93 180.48 1ycq h LEU 53 N 0.48 0.91 -1.09 2.43 5.85 -0.88 -1.68 115.31 121.33 1ycq h LEU 53 Ca 0.10 -0.27 -0.06 0.00 0.84 0.00 0.00 57.88 58.49 1ycq h LEU 53 Cb 0.41 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1ycq h LEU 53 CO 0.02 1.01 0.01 1.23 -0.34 0.00 0.00 178.44 180.37 1ycq h GLY 54 N 0.98 0.70 1.23 3.75 0.00 -1.14 -1.29 103.07 107.30 1ycq h GLY 54 Ca 0.14 -0.43 -0.11 0.00 0.00 0.00 0.00 47.33 46.93 1ycq h GLY 54 CO 0.04 0.40 -0.17 1.46 0.00 0.00 0.00 176.54 178.27 1ycq h GLN 55 N 0.62 0.89 -0.26 4.80 1.08 -1.22 -0.06 115.11 120.96 1ycq h GLN 55 Ca 0.13 -0.34 -0.02 0.00 -1.45 0.00 0.00 58.65 56.97 1ycq h GLN 55 Cb 0.37 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.74 1ycq h GLN 55 CO 0.01 0.99 0.09 -0.92 -0.95 0.00 0.00 178.83 178.05 1ycq h TYR 56 N 0.78 0.40 -0.49 2.96 3.20 -0.74 0.17 116.97 123.25 1ycq h TYR 56 Ca 0.11 -0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.88 1ycq h TYR 56 Cb 0.70 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 1ycq h TYR 56 CO 0.04 0.43 0.02 0.82 -1.64 0.00 0.00 178.16 177.83 1ycq h ILE 57 N 0.26 1.24 0.13 1.81 2.04 -1.09 -1.35 117.51 120.55 1ycq h ILE 57 Ca 0.08 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 64.96 1ycq h ILE 57 Cb 0.21 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1ycq h ILE 57 CO -0.00 0.35 -0.06 -0.03 0.00 0.00 0.00 178.15 178.40 1ycq h MET 58 N 0.75 -0.17 -0.72 2.37 4.05 -0.76 -0.08 114.93 120.37 1ycq h MET 58 Ca 0.15 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.56 1ycq h MET 58 Cb 0.43 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.23 1ycq h MET 58 CO 0.02 0.15 0.36 0.00 0.23 0.00 0.00 176.91 177.67 1ycq h ALA 59 N 0.30 1.29 0.00 0.39 0.00 -0.53 -2.29 119.26 118.41 1ycq h ALA 59 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1ycq h ALA 59 Cb 0.40 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ycq h ALA 59 CO 0.03 0.56 -0.40 1.63 0.00 0.00 0.00 179.25 181.07 1ycq n LYS 60 N -4.34 0.19 -3.49 0.00 4.76 -0.52 -4.98 118.16 109.79 1ycq n LYS 60 Ca 0.07 0.08 -0.18 0.00 -2.87 0.00 0.00 58.31 55.41 1ycq n LYS 60 Cb 0.12 -1.65 0.07 0.00 -1.84 0.00 0.00 35.03 31.73 1ycq n LYS 60 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1ycq n GLN 61 N -1.95 -5.40 0.10 1.97 1.13 -0.11 -4.92 117.38 108.21 1ycq n GLN 61 Ca 0.05 0.78 0.12 0.00 -1.94 0.00 0.00 57.00 56.01 1ycq n GLN 61 Cb 0.41 -5.62 0.21 0.00 0.11 0.00 0.00 30.24 25.35 1ycq n GLN 61 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1ycq h LEU 62 N -1.78 0.00-10.27 1.08 3.38 -1.67 -3.47 115.31 102.58 1ycq h LEU 62 Ca -0.60 -0.09 -0.50 0.00 0.09 0.00 0.00 57.88 56.78 1ycq h LEU 62 Cb 1.34 0.00 0.07 0.00 0.09 0.00 0.00 40.66 42.16 1ycq h LEU 62 CO 0.51 0.04 0.38 -0.72 0.09 0.00 0.00 178.44 178.74 1ycq s TYR 63 N -3.18 3.14 0.06 1.13 -0.85 -1.26 -0.52 117.35 115.87 1ycq s TYR 63 Ca 0.07 1.45 -0.30 0.00 -0.52 0.00 0.00 57.07 57.77 1ycq s TYR 63 Cb 0.11 -2.91 -0.05 0.00 0.38 0.00 0.00 41.96 39.49 1ycq s TYR 63 CO 0.69 -1.06 1.09 0.34 -1.52 0.00 0.00 175.55 175.09 1ycq s ASP 64 N -3.36 7.24 0.23 -0.18 -1.08 0.52 -4.87 116.67 115.17 1ycq s ASP 64 Ca 0.60 1.89 -0.07 0.00 -0.52 0.00 0.00 52.55 54.45 1ycq s ASP 64 Cb -0.14 -2.58 0.39 0.00 -1.46 0.00 0.00 42.92 39.13 1ycq s ASP 64 CO 0.46 -0.33 1.69 1.05 0.52 0.00 0.00 175.17 178.56 1ycq h GLU 65 N 6.41 0.26 0.00 4.34 4.11 -1.94 -2.88 114.58 124.88 1ycq h GLU 65 Ca -0.42 -0.02 -0.16 0.00 0.07 0.00 0.00 59.36 58.84 1ycq h GLU 65 Cb 1.22 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 1ycq h GLU 65 CO 0.77 0.17 -1.09 1.63 0.07 0.00 0.00 179.01 180.56 1ycq n LYS 66 N -5.15 0.52 -3.39 1.06 4.76 -1.26 -4.62 118.16 110.09 1ycq n LYS 66 Ca 0.12 0.52 -0.45 0.00 -2.87 0.00 0.00 58.31 55.62 1ycq n LYS 66 Cb 0.40 -1.69 -0.03 0.00 -1.84 0.00 0.00 35.03 31.88 1ycq n LYS 66 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1ycq s GLN 67 N -2.36 3.56 0.00 1.97 -1.52 -1.24 -4.92 119.66 115.15 1ycq s GLN 67 Ca -0.25 -2.61 0.10 0.00 -1.95 0.00 0.00 55.36 50.65 1ycq s GLN 67 Cb 0.05 -4.35 0.59 0.00 -0.22 0.00 0.00 33.01 29.09 1ycq s GLN 67 CO 0.44 -1.27 1.04 1.04 -0.25 0.00 0.00 175.29 176.29 1ycq n GLN 68 N 3.67 0.51 0.00 2.91 6.02 -1.09 -2.21 117.38 127.19 1ycq n GLN 68 Ca 0.15 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.25 1ycq n GLN 68 Cb 0.44 -1.31 0.08 0.00 1.02 0.00 0.00 30.24 30.48 1ycq n GLN 68 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 1ycq n HIS 69 N -0.81 0.00 -3.49 1.08 1.44 -1.26 -4.66 115.22 107.52 1ycq n HIS 69 Ca 0.07 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.41 1ycq n HIS 69 Cb 0.03 -0.13 -0.08 0.00 0.12 0.00 0.00 29.99 29.93 1ycq n HIS 69 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1ycq s ILE 70 N -2.99 5.27 -0.20 0.61 1.01 -0.94 0.20 121.20 124.16 1ycq s ILE 70 Ca 0.10 0.54 -0.04 0.00 0.00 0.00 0.00 60.65 61.25 1ycq s ILE 70 Cb 0.17 -3.65 -0.02 0.00 0.01 0.00 0.00 42.46 38.97 1ycq s ILE 70 CO 0.78 0.31 -0.04 -0.69 0.00 0.00 0.00 174.94 175.30 1ycq s VAL 71 N 1.03 3.58 -0.32 2.92 1.01 0.48 -0.36 120.40 128.74 1ycq s VAL 71 Ca 0.16 -0.44 -0.13 0.00 0.00 0.00 0.00 61.98 61.57 1ycq s VAL 71 Cb -0.14 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 1ycq s VAL 71 CO 0.06 0.44 0.24 -1.00 0.00 0.00 0.00 175.10 174.85 1ycq s HIS 72 N 1.08 3.22 -0.12 5.22 3.76 0.32 -1.70 115.29 127.07 1ycq s HIS 72 Ca 0.01 -0.04 0.14 0.00 -0.15 0.00 0.00 55.06 55.02 1ycq s HIS 72 Cb -0.15 -2.47 0.32 0.00 1.11 0.00 0.00 32.58 31.39 1ycq s HIS 72 CO 0.00 -0.29 1.16 0.00 -0.85 0.00 0.00 174.74 174.76 1ycq h SER 74 N 0.53 0.38 -0.49 0.00 0.02 -1.72 -2.66 113.55 109.61 1ycq h SER 74 Ca -0.04 0.01 -0.36 0.00 -0.84 0.00 0.00 61.79 60.56 1ycq h SER 74 Cb 1.19 -0.07 -0.31 0.00 0.14 0.00 0.00 62.40 63.35 1ycq h SER 74 CO 0.02 0.23 -0.77 0.59 -1.14 0.00 0.00 176.83 175.75 1ycq n ASN 75 N -4.47 3.62 -4.09 3.07 3.02 -1.26 -4.94 115.26 110.20 1ycq n ASN 75 Ca 0.10 -3.56 -0.13 0.00 -0.03 0.00 0.00 54.58 50.96 1ycq n ASN 75 Cb 0.39 -0.40 -0.11 0.00 -0.61 0.00 0.00 39.78 39.05 1ycq n ASN 75 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1ycq s ASP 76 N -3.46 1.02 0.57 6.41 2.15 -1.01 -5.03 116.67 117.31 1ycq s ASP 76 Ca 0.45 -0.63 0.27 0.00 0.43 0.00 0.00 52.55 53.07 1ycq s ASP 76 Cb 0.39 0.03 1.56 0.00 -0.30 0.00 0.00 42.92 44.61 1ycq s ASP 76 CO -0.00 -0.23 2.06 -0.65 -0.17 0.00 0.00 175.17 176.18 1ycq h PRO 77 N 4.22 0.00 -0.18 4.34 0.11 -1.96 0.12 132.00 138.66 1ycq h PRO 77 Ca -0.36 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.76 1ycq h PRO 77 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1ycq h PRO 77 CO 0.44 0.00 0.12 1.25 -0.21 0.00 0.00 178.00 179.60 1ycq h LEU 78 N 0.00 0.17 -0.54 2.35 5.85 -1.96 0.22 115.31 121.41 1ycq h LEU 78 Ca 0.12 -0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.68 1ycq h LEU 78 Cb 0.62 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1ycq h LEU 78 CO -0.00 0.12 -0.65 1.23 -0.34 0.00 0.00 178.44 178.80 1ycq h GLY 79 N 0.20 0.36 1.13 3.75 0.00 -0.60 -0.33 103.07 107.57 1ycq h GLY 79 Ca 0.07 -0.47 -0.18 0.00 0.00 0.00 0.00 47.33 46.75 1ycq h GLY 79 CO -0.01 0.42 -0.54 0.83 0.00 0.00 0.00 176.54 177.23 1ycq h GLU 80 N 0.23 0.86 0.30 4.80 4.39 -1.03 0.51 114.58 124.63 1ycq h GLU 80 Ca -0.01 -0.55 -0.01 0.00 0.34 0.00 0.00 59.36 59.12 1ycq h GLU 80 Cb 1.19 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 1ycq h GLU 80 CO 0.11 1.18 -0.14 1.25 -1.16 0.00 0.00 179.01 180.25 1ycq h LEU 81 N 0.63 -0.34 -0.12 1.33 5.85 -0.52 -3.24 115.31 118.91 1ycq h LEU 81 Ca 0.01 -0.13 -0.21 0.00 0.84 0.00 0.00 57.88 58.39 1ycq h LEU 81 Cb 1.15 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 1ycq h LEU 81 CO 0.12 -0.06 -0.97 -0.26 -0.34 0.00 0.00 178.44 176.93 1ycq h PHE 82 N -0.63 0.12 -0.36 1.25 0.04 -1.12 -3.48 116.94 112.76 1ycq h PHE 82 Ca -0.04 -0.08 -0.01 0.00 2.80 0.00 0.00 57.97 60.64 1ycq h PHE 82 Cb 0.45 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.59 1ycq h PHE 82 CO 0.00 0.99 -0.01 0.41 -0.60 0.00 0.00 178.31 179.10 1ycq n GLY 83 N 1.17 0.52 3.30 -1.45 0.00 0.18 -5.03 105.19 103.87 1ycq n GLY 83 Ca -0.02 -0.81 -0.16 0.00 0.00 0.00 0.00 46.02 45.03 1ycq n GLY 83 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ycq s VAL 84 N -2.31 0.71 -0.12 1.61 -7.23 -1.14 -5.04 120.40 106.88 1ycq s VAL 84 Ca 0.00 -2.00 0.17 0.00 -1.81 0.00 0.00 61.98 58.34 1ycq s VAL 84 Cb -0.00 -2.41 -0.17 0.00 0.56 0.00 0.00 36.38 34.36 1ycq s VAL 84 CO 0.00 -0.22 0.70 0.00 -0.31 0.00 0.00 175.10 175.27 1ycq n GLN 85 N -0.39 0.63 -3.76 4.82 6.02 -1.26 -4.48 117.38 118.96 1ycq n GLN 85 Ca -0.03 0.17 -0.02 0.00 -0.01 0.00 0.00 57.00 57.10 1ycq n GLN 85 Cb 0.65 -1.75 -0.00 0.00 1.02 0.00 0.00 30.24 30.15 1ycq n GLN 85 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 1ycq s GLU 86 N -2.90 1.06 0.22 -1.09 -1.05 -1.26 -1.04 118.70 112.63 1ycq s GLU 86 Ca -0.04 -0.62 -0.22 0.00 -0.15 0.00 0.00 54.97 53.94 1ycq s GLU 86 Cb 0.09 0.34 0.05 0.00 -0.44 0.00 0.00 34.13 34.17 1ycq s GLU 86 CO 0.82 -0.49 0.65 -0.59 0.95 0.00 0.00 175.26 176.61 1ycq s PHE 87 N -2.86 -0.37 -0.12 4.83 -0.12 -0.69 -4.97 117.98 113.68 1ycq s PHE 87 Ca 0.15 0.05 -0.01 0.00 -0.05 0.00 0.00 56.93 57.06 1ycq s PHE 87 Cb -0.00 0.63 -0.03 0.00 -0.63 0.00 0.00 43.02 42.99 1ycq s PHE 87 CO 0.02 -1.03 -0.07 0.45 -0.05 0.00 0.00 175.22 174.54 1ycq s SER 88 N -2.83 4.57 0.00 1.98 0.15 -1.26 -0.39 113.70 115.93 1ycq s SER 88 Ca 0.06 -0.14 0.18 0.00 0.70 0.00 0.00 55.95 56.75 1ycq s SER 88 Cb -0.03 -1.54 0.86 0.00 -1.71 0.00 0.00 66.02 63.60 1ycq s SER 88 CO -0.04 0.23 1.56 1.33 1.20 0.00 0.00 173.24 177.53 1ycq n VAL 89 N 3.10 0.58 1.31 4.45 0.24 0.13 -1.88 118.33 126.26 1ycq n VAL 89 Ca -0.18 0.15 0.04 0.00 -2.04 0.00 0.00 64.34 62.31 1ycq n VAL 89 Cb 0.53 -0.84 0.14 0.00 -1.47 0.00 0.00 33.84 32.20 1ycq n VAL 89 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1ycq n LYS 90 N -1.37 1.51 -3.35 7.34 5.02 -1.26 -4.11 118.16 121.94 1ycq n LYS 90 Ca 0.07 -0.79 -0.26 0.00 -2.02 0.00 0.00 58.31 55.31 1ycq n LYS 90 Cb 0.17 -1.20 -0.08 0.00 -0.02 0.00 0.00 35.03 33.91 1ycq n LYS 90 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1ycq n GLU 91 N 0.13 1.77 -0.34 1.97 1.02 -0.79 -4.97 120.64 119.42 1ycq n GLU 91 Ca 0.08 -4.09 0.13 0.00 -0.02 0.00 0.00 57.16 53.26 1ycq n GLU 91 Cb 0.19 -1.85 0.31 0.00 -0.02 0.00 0.00 31.44 30.08 1ycq n GLU 91 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1ycq h PRO 92 N 4.19 0.69 -0.02 3.49 0.11 -1.81 -2.78 132.00 135.87 1ycq h PRO 92 Ca 0.15 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.22 1ycq h PRO 92 Cb 0.75 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.71 1ycq h PRO 92 CO 0.68 0.46 0.01 -0.09 -0.21 0.00 0.00 178.00 178.85 1ycq h ARG 93 N 0.71 0.02 -0.54 1.05 2.43 -1.96 -1.86 114.38 114.23 1ycq h ARG 93 Ca 0.57 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.69 1ycq h ARG 93 Cb 0.91 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.43 1ycq h ARG 93 CO -0.40 0.05 0.15 -0.09 -1.51 0.00 0.00 179.97 178.18 1ycq h ARG 94 N -0.01 0.82 0.23 0.20 2.43 -1.90 -2.61 114.38 113.53 1ycq h ARG 94 Ca 0.01 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.01 1ycq h ARG 94 Cb 0.03 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1ycq h ARG 94 CO -0.00 0.72 -0.11 1.25 -1.51 0.00 0.00 179.97 180.32 1ycq h LEU 95 N 0.80 -0.26 -1.74 3.80 5.85 -1.36 -2.23 115.31 120.17 1ycq h LEU 95 Ca 0.18 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.92 1ycq h LEU 95 Cb 0.26 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1ycq h LEU 95 CO -0.01 -0.14 0.27 1.88 -0.34 0.00 0.00 178.44 180.10 1ycq h TYR 96 N -0.35 0.33 -0.34 1.25 0.05 -1.20 -1.54 116.97 115.17 1ycq h TYR 96 Ca -0.03 0.01 -0.13 0.00 0.05 0.00 0.00 58.73 58.63 1ycq h TYR 96 Cb 0.27 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 37.89 1ycq h TYR 96 CO -0.05 0.18 -0.32 0.00 -1.05 0.00 0.00 178.16 176.92 1ycq h ALA 97 N 1.78 0.80 -0.37 3.88 0.00 -1.11 -0.17 119.26 124.07 1ycq h ALA 97 Ca 0.17 -0.41 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 1ycq h ALA 97 Cb 0.25 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1ycq h ALA 97 CO -0.04 0.65 -0.26 0.52 0.00 0.00 0.00 179.25 180.12 1ycq h MET 98 N 0.62 0.76 -0.11 0.00 2.86 -0.71 -2.26 114.93 116.09 1ycq h MET 98 Ca 0.07 -0.32 -0.03 0.00 -2.06 0.00 0.00 59.70 57.36 1ycq h MET 98 Cb 0.85 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.48 1ycq h MET 98 CO 0.07 0.94 -0.04 0.82 1.06 0.00 0.00 176.91 179.76 1ycq h ILE 99 N 0.66 1.31 -0.64 -1.22 2.04 -1.17 -3.28 117.51 115.20 1ycq h ILE 99 Ca 0.08 -1.03 0.05 0.00 1.00 0.00 0.00 64.86 64.96 1ycq h ILE 99 Cb 0.77 1.77 -0.05 0.00 -0.74 0.00 0.00 36.82 38.57 1ycq h ILE 99 CO 0.06 0.30 0.37 0.28 0.00 0.00 0.00 178.15 179.16 1ycq h SER 100 N -0.12 0.56 0.00 1.72 0.02 -0.95 0.21 113.55 114.99 1ycq h SER 100 Ca 0.03 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1ycq h SER 100 Cb 0.48 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1ycq h SER 100 CO 0.01 0.38 0.00 -2.11 -1.14 0.00 0.00 176.83 173.97 1ycq n ARG 101 N -4.77 0.46 -0.44 3.45 1.85 -0.86 -2.47 116.66 113.88 1ycq n ARG 101 Ca 0.07 0.00 0.07 0.00 -1.00 0.00 0.00 57.85 56.99 1ycq n ARG 101 Cb 0.14 -1.32 0.18 0.00 -1.05 0.00 0.00 32.46 30.41 1ycq n ARG 101 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1ycq n ASN 102 N -0.82 1.89 -4.16 2.89 3.02 0.74 -4.95 115.26 113.87 1ycq n ASN 102 Ca 0.07 -3.59 -0.33 0.00 -0.03 0.00 0.00 54.58 50.69 1ycq n ASN 102 Cb 0.03 -0.49 -0.15 0.00 -0.61 0.00 0.00 39.78 38.56 1ycq n ASN 102 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ycq s LEU 103 N -3.04 2.62 0.50 3.41 1.43 -1.03 -1.81 118.68 120.77 1ycq s LEU 103 Ca 0.36 -0.74 0.27 0.00 -1.03 0.00 0.00 54.13 52.99 1ycq s LEU 103 Cb 0.34 -1.57 1.32 0.00 0.03 0.00 0.00 46.19 46.31 1ycq s LEU 103 CO -0.04 -0.05 2.00 1.62 0.23 0.00 0.00 176.35 180.11 1ycq h VAL 104 N 6.04 0.51 -2.61 -1.59 3.04 -0.47 -3.41 116.25 117.76 1ycq h VAL 104 Ca -0.39 -0.70 -0.13 0.00 -1.01 0.00 0.00 66.70 64.47 1ycq h VAL 104 Cb 1.12 1.47 -0.29 0.00 -2.01 0.00 0.00 31.29 31.59 1ycq h VAL 104 CO 0.60 0.14 -0.40 -0.94 -1.01 0.00 0.00 177.57 175.96 1ycq s SER 105 N -6.10 -0.12 -0.02 3.17 1.04 -1.20 -4.99 113.70 105.48 1ycq s SER 105 Ca -0.02 0.89 0.10 0.00 0.48 0.00 0.00 55.95 57.40 1ycq s SER 105 Cb 0.12 1.16 0.32 0.00 0.10 0.00 0.00 66.02 67.72 1ycq s SER 105 CO 0.59 -0.23 1.22 0.00 0.98 0.00 0.00 173.24 175.80 1ycq n ALA 106 N 5.32 2.58 -3.18 5.32 0.00 -1.26 -0.07 120.51 129.21 1ycq n ALA 106 Ca -0.09 -0.65 0.01 0.00 0.00 0.00 0.00 53.44 52.71 1ycq n ALA 106 Cb 0.50 -0.99 -0.01 0.00 0.00 0.00 0.00 19.45 18.95 1ycq n ALA 106 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1ycq s ASN 107 N -0.88 -1.21 0.00 0.00 3.84 -1.00 -4.64 114.94 111.06 1ycq s ASN 107 Ca 0.23 0.22 0.18 0.00 0.21 0.00 0.00 52.86 53.70 1ycq s ASN 107 Cb 0.13 1.88 0.14 0.00 -0.55 0.00 0.00 41.25 42.85 1ycq s ASN 107 CO 0.14 -0.30 1.06 0.52 -2.79 0.00 0.00 177.10 175.73