#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ytj s GLN 2 N 0.00 1.30 -0.08 -0.52 -2.07 -1.26 -5.12 119.66 111.92 1ytj s GLN 2 Ca 0.00 -0.58 0.01 0.00 -1.82 0.00 0.00 55.36 52.96 1ytj s GLN 2 Cb 0.00 0.53 -0.03 0.00 -1.09 0.00 0.00 33.01 32.43 1ytj s GLN 2 CO 0.00 -0.58 -0.08 -0.06 -1.32 0.00 0.00 175.29 173.25 1ytj s PHE 3 N -3.62 2.90 0.04 9.60 0.40 -1.26 -5.12 117.98 120.93 1ytj s PHE 3 Ca 0.05 -0.07 -0.02 0.00 -0.60 0.00 0.00 56.93 56.30 1ytj s PHE 3 Cb -0.02 -1.72 -0.04 0.00 0.51 0.00 0.00 43.02 41.74 1ytj s PHE 3 CO -0.06 0.25 0.22 -1.01 0.70 0.00 0.00 175.22 175.33 1ytj s HIS 4 N -0.64 3.53 -0.46 0.36 3.76 -1.26 -5.02 115.29 115.55 1ytj s HIS 4 Ca 0.10 0.34 0.00 0.00 -0.15 0.00 0.00 55.06 55.34 1ytj s HIS 4 Cb -0.11 -1.82 0.41 0.00 1.11 0.00 0.00 32.58 32.16 1ytj s HIS 4 CO 0.02 0.60 1.92 1.28 -0.85 0.00 0.00 174.74 177.70 1ytj n LEU 5 N 0.54 6.74 0.05 0.89 4.77 -1.26 -4.16 117.00 124.57 1ytj n LEU 5 Ca -0.07 -3.61 -0.11 0.00 -0.03 0.00 0.00 56.01 52.19 1ytj n LEU 5 Cb 0.52 -0.93 -0.13 0.00 -2.33 0.00 0.00 43.42 40.55 1ytj n LEU 5 CO 0.48 1.21 -0.12 -0.50 -1.33 0.00 0.00 177.39 177.14 1ytj h TRP 6 N 1.43 0.17 -2.11 -1.77 4.06 -2.06 -3.44 115.95 112.22 1ytj h TRP 6 Ca 0.48 -0.12 -0.56 0.00 2.06 0.00 0.00 58.89 60.75 1ytj h TRP 6 Cb 1.41 -0.01 -0.09 0.00 -1.00 0.00 0.00 29.16 29.47 1ytj h TRP 6 CO 1.19 1.13 -0.62 0.15 -3.56 0.00 0.00 178.44 176.73 1ytj s LYS 7 N -2.66 2.28 0.37 0.49 -0.14 -1.26 -5.10 119.74 113.72 1ytj s LYS 7 Ca -0.03 -1.48 -0.28 0.00 -1.36 0.00 0.00 55.97 52.82 1ytj s LYS 7 Cb 0.08 -2.14 -0.11 0.00 -1.68 0.00 0.00 37.83 33.99 1ytj s LYS 7 CO 0.84 0.29 1.48 1.03 -0.76 0.00 0.00 175.35 178.23 1ytj s ARG 8 N -3.71 4.12 -1.28 1.68 0.52 -1.26 -4.90 118.95 114.12 1ytj s ARG 8 Ca 0.33 2.56 -0.19 0.00 -0.52 0.00 0.00 55.73 57.91 1ytj s ARG 8 Cb -0.05 -2.97 0.05 0.00 0.52 0.00 0.00 34.95 32.50 1ytj s ARG 8 CO 0.20 -0.52 1.75 -1.25 0.02 0.00 0.00 175.30 175.49 1ytj s PRO 9 N -2.04 3.84 -0.15 3.54 0.04 -1.26 -4.97 135.00 133.99 1ytj s PRO 9 Ca 0.53 -1.88 -0.07 0.00 0.04 0.00 0.00 61.00 59.61 1ytj s PRO 9 Cb -0.46 -5.50 -0.04 0.00 0.04 0.00 0.00 34.50 28.53 1ytj s PRO 9 CO 0.62 -2.41 0.11 0.08 0.04 0.00 0.00 177.00 175.44 1ytj s VAL 10 N 4.88 5.21 0.21 -0.36 1.01 -1.26 -1.32 120.40 128.78 1ytj s VAL 10 Ca 0.55 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.65 1ytj s VAL 10 Cb 0.03 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.06 1ytj s VAL 10 CO 0.08 0.54 0.06 0.68 0.00 0.00 0.00 175.10 176.46 1ytj s VAL 11 N -0.38 0.53 -0.09 2.92 -7.23 -0.79 -4.97 120.40 110.39 1ytj s VAL 11 Ca 0.11 -1.99 -0.13 0.00 -1.81 0.00 0.00 61.98 58.16 1ytj s VAL 11 Cb -0.12 -2.40 -0.05 0.00 0.56 0.00 0.00 36.38 34.38 1ytj s VAL 11 CO 0.01 -0.21 0.30 -0.89 -0.31 0.00 0.00 175.10 174.01 1ytj s THR 12 N -3.77 5.25 0.24 5.32 2.01 -1.26 -0.63 115.64 122.80 1ytj s THR 12 Ca 0.32 0.58 0.09 0.00 0.31 0.00 0.00 61.69 62.99 1ytj s THR 12 Cb 0.07 -3.61 -0.05 0.00 0.01 0.00 0.00 72.50 68.92 1ytj s THR 12 CO 0.09 0.51 -0.14 0.00 -0.69 0.00 0.00 174.62 174.39 1ytj s ALA 13 N -0.41 2.28 -0.22 7.40 0.00 -0.08 -4.58 121.76 126.16 1ytj s ALA 13 Ca 0.19 -1.77 -0.02 0.00 0.00 0.00 0.00 51.96 50.36 1ytj s ALA 13 Cb -0.14 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 22.92 1ytj s ALA 13 CO 0.07 0.09 -0.10 -1.01 0.00 0.00 0.00 175.76 174.82 1ytj s HIS 14 N -2.86 2.95 -0.36 0.00 3.76 0.14 -1.08 115.29 117.83 1ytj s HIS 14 Ca 0.26 -1.38 -0.11 0.00 -0.15 0.00 0.00 55.06 53.68 1ytj s HIS 14 Cb -0.01 -2.03 0.02 0.00 1.11 0.00 0.00 32.58 31.67 1ytj s HIS 14 CO 0.10 -0.69 0.20 0.42 -0.85 0.00 0.00 174.74 173.91 1ytj s ILE 15 N 1.36 4.55 -1.47 0.60 -1.09 0.08 -1.32 121.20 123.92 1ytj s ILE 15 Ca 0.03 -0.81 -0.04 0.00 -2.23 0.00 0.00 60.65 57.60 1ytj s ILE 15 Cb -0.15 -3.51 0.04 0.00 -1.58 0.00 0.00 42.46 37.26 1ytj s ILE 15 CO -0.07 -0.19 0.51 -0.62 -1.23 0.00 0.00 174.94 173.34 1ytj n GLU 16 N 4.99 -3.34 0.00 2.79 -0.58 0.40 -0.39 120.64 124.51 1ytj n GLU 16 Ca -0.12 0.40 0.00 0.00 -0.42 0.00 0.00 57.16 57.02 1ytj n GLU 16 Cb 0.46 -4.67 0.00 0.00 -0.57 0.00 0.00 31.44 26.66 1ytj n GLU 16 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ytj n GLY 17 N -1.87 2.84 3.67 0.62 0.00 -1.26 -5.00 105.19 104.18 1ytj n GLY 17 Ca -0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 1ytj n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ytj s GLN 18 N -0.11 4.26 0.15 1.61 -0.21 0.47 -4.93 119.66 120.90 1ytj s GLN 18 Ca 0.00 1.59 -0.31 0.00 0.02 0.00 0.00 55.36 56.66 1ytj s GLN 18 Cb 0.00 -3.70 -0.08 0.00 1.00 0.00 0.00 33.01 30.23 1ytj s GLN 18 CO 0.00 -0.63 1.37 -1.25 -2.12 0.00 0.00 175.29 172.65 1ytj s PRO 19 N 3.17 4.34 -0.07 2.91 0.04 -1.26 -0.74 135.00 143.39 1ytj s PRO 19 Ca 0.52 2.08 -0.06 0.00 0.04 0.00 0.00 61.00 63.58 1ytj s PRO 19 Cb -0.21 -3.23 0.02 0.00 0.04 0.00 0.00 34.50 31.13 1ytj s PRO 19 CO 0.14 -0.38 0.18 0.54 0.04 0.00 0.00 177.00 177.52 1ytj s VAL 20 N 0.75 -0.00 -0.17 -0.36 0.11 -0.25 -4.97 120.40 115.52 1ytj s VAL 20 Ca 0.62 0.01 -0.18 0.00 -2.93 0.00 0.00 61.98 59.50 1ytj s VAL 20 Cb -0.37 -0.26 -0.04 0.00 -1.53 0.00 0.00 36.38 34.18 1ytj s VAL 20 CO 0.33 0.00 0.47 -1.61 -3.33 0.00 0.00 175.10 170.97 1ytj s GLU 21 N 0.17 4.25 0.06 1.54 2.02 -1.26 -0.90 118.70 124.58 1ytj s GLU 21 Ca -0.01 0.38 0.09 0.00 0.02 0.00 0.00 54.97 55.45 1ytj s GLU 21 Cb -0.02 -3.51 -0.03 0.00 0.10 0.00 0.00 34.13 30.68 1ytj s GLU 21 CO -0.00 -0.00 -0.25 0.14 0.02 0.00 0.00 175.26 175.17 1ytj s VAL 22 N 1.16 2.02 -0.22 2.63 -7.23 0.20 -4.46 120.40 114.49 1ytj s VAL 22 Ca 0.24 -1.41 -0.11 0.00 -1.81 0.00 0.00 61.98 58.89 1ytj s VAL 22 Cb -0.15 -1.75 -0.05 0.00 0.56 0.00 0.00 36.38 34.99 1ytj s VAL 22 CO 0.09 0.27 0.18 -0.22 -0.31 0.00 0.00 175.10 175.11 1ytj s LEU 23 N -1.38 4.16 -0.45 1.32 2.96 0.35 -1.89 118.68 123.75 1ytj s LEU 23 Ca 0.11 0.20 -0.28 0.00 -0.22 0.00 0.00 54.13 53.94 1ytj s LEU 23 Cb -0.10 -2.15 0.03 0.00 0.50 0.00 0.00 46.19 44.47 1ytj s LEU 23 CO 0.03 0.09 1.09 -0.76 -1.32 0.00 0.00 176.35 175.48 1ytj s LEU 24 N 0.82 3.74 -0.30 -0.68 1.43 -0.43 -1.00 118.68 122.27 1ytj s LEU 24 Ca 0.09 0.53 -0.02 0.00 -1.03 0.00 0.00 54.13 53.70 1ytj s LEU 24 Cb -0.13 -3.49 0.05 0.00 0.03 0.00 0.00 46.19 42.65 1ytj s LEU 24 CO 0.03 -1.15 -0.01 -0.62 0.23 0.00 0.00 176.35 174.83 1ytj s ASP 25 N 2.28 4.85 0.33 2.29 -1.08 -0.40 -4.78 116.67 120.17 1ytj s ASP 25 Ca 0.46 -1.24 0.26 0.00 -0.52 0.00 0.00 52.55 51.51 1ytj s ASP 25 Cb -0.08 -1.71 1.00 0.00 -1.46 0.00 0.00 42.92 40.66 1ytj s ASP 25 CO 0.28 -0.25 1.78 0.71 0.52 0.00 0.00 175.17 178.21 1ytj h THR 26 N 6.45 0.00 -0.52 1.71 1.35 -1.94 -2.42 112.91 117.53 1ytj h THR 26 Ca -0.22 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 1ytj h THR 26 Cb 1.06 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 1ytj h THR 26 CO 0.53 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 1ytj n GLY 27 N 0.33 1.62 3.77 5.82 0.00 -1.26 -4.76 105.19 110.71 1ytj n GLY 27 Ca 0.02 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 1ytj n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ytj s ALA 28 N -1.31 3.73 -0.04 4.61 0.00 -0.91 -4.97 121.76 122.88 1ytj s ALA 28 Ca 0.39 -0.68 0.12 0.00 0.00 0.00 0.00 51.96 51.79 1ytj s ALA 28 Cb 0.21 -2.10 0.01 0.00 0.00 0.00 0.00 23.12 21.24 1ytj s ALA 28 CO 0.27 0.29 1.41 -0.44 0.00 0.00 0.00 175.76 177.30 1ytj h ASP 29 N 6.18 0.00 -2.15 0.00 3.32 -1.88 0.14 116.42 122.04 1ytj h ASP 29 Ca -0.45 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.02 1ytj h ASP 29 Cb 1.17 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.59 1ytj h ASP 29 CO 0.71 0.66 -0.63 -1.81 -1.72 0.00 0.00 179.24 176.45 1ytj s ASP 30 N -6.55 3.45 -0.11 6.45 1.01 -1.26 -2.90 116.67 116.76 1ytj s ASP 30 Ca 0.03 -1.32 0.02 0.00 0.71 0.00 0.00 52.55 51.99 1ytj s ASP 30 Cb 0.09 -0.31 -0.01 0.00 1.01 0.00 0.00 42.92 43.70 1ytj s ASP 30 CO 0.77 -0.42 -0.19 -0.44 0.21 0.00 0.00 175.17 175.10 1ytj s SER 31 N -3.62 3.48 -0.02 0.27 0.01 -1.26 -3.00 113.70 109.56 1ytj s SER 31 Ca 0.34 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.14 1ytj s SER 31 Cb 0.08 -1.50 0.02 0.00 0.21 0.00 0.00 66.02 64.83 1ytj s SER 31 CO 0.17 0.16 0.00 -0.51 0.41 0.00 0.00 173.24 173.47 1ytj s ILE 32 N 0.37 0.09 0.14 1.44 1.10 -0.65 -1.55 121.20 122.14 1ytj s ILE 32 Ca -0.15 0.08 0.08 0.00 -0.51 0.00 0.00 60.65 60.16 1ytj s ILE 32 Cb -0.17 -0.17 -0.04 0.00 0.15 0.00 0.00 42.46 42.23 1ytj s ILE 32 CO 0.07 0.10 -0.19 -0.69 -2.11 0.00 0.00 174.94 172.12 1ytj s VAL 33 N 0.75 1.75 0.31 4.00 1.01 0.24 -1.02 120.40 127.45 1ytj s VAL 33 Ca -0.07 -1.78 0.04 0.00 0.00 0.00 0.00 61.98 60.18 1ytj s VAL 33 Cb -0.10 -1.73 -0.06 0.00 0.00 0.00 0.00 36.38 34.49 1ytj s VAL 33 CO -0.02 -0.23 0.03 0.28 0.00 0.00 0.00 175.10 175.16 1ytj s THR 34 N -1.74 1.28 -1.22 3.92 -1.32 -1.26 -2.58 115.64 112.72 1ytj s THR 34 Ca 0.12 -2.02 0.00 0.00 -1.21 0.00 0.00 61.69 58.58 1ytj s THR 34 Cb -0.07 -2.71 0.00 0.00 -1.51 0.00 0.00 72.50 68.21 1ytj s THR 34 CO 0.06 -0.08 0.00 0.61 -2.21 0.00 0.00 174.62 173.00 1ytj n GLY 35 N -0.66 0.01 3.04 6.08 0.00 -1.26 -5.00 105.19 107.40 1ytj n GLY 35 Ca -0.03 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.56 1ytj n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ytj s ILE 36 N -2.67 0.38 -0.09 -0.61 1.01 -1.26 -5.13 121.20 112.84 1ytj s ILE 36 Ca 0.00 -1.06 0.04 0.00 0.00 0.00 0.00 60.65 59.63 1ytj s ILE 36 Cb 0.00 -0.53 -0.01 0.00 0.01 0.00 0.00 42.46 41.93 1ytj s ILE 36 CO 0.00 -0.45 -0.22 -1.83 0.00 0.00 0.00 174.94 172.44 1ytj s GLU 37 N -1.65 2.88 0.00 2.79 4.04 -1.26 -5.00 118.70 120.50 1ytj s GLU 37 Ca -0.11 -0.85 0.00 0.00 0.04 0.00 0.00 54.97 54.04 1ytj s GLU 37 Cb -0.09 -2.30 0.00 0.00 0.02 0.00 0.00 34.13 31.76 1ytj s GLU 37 CO -0.00 0.28 0.60 1.28 -1.84 0.00 0.00 175.26 175.57 1ytj n LEU 38 N 3.24 1.19 0.00 1.83 4.77 -1.26 -5.10 117.00 121.68 1ytj n LEU 38 Ca -0.18 -1.19 0.00 0.00 -0.03 0.00 0.00 56.01 54.61 1ytj n LEU 38 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1ytj n LEU 38 CO 0.27 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1ytj n GLY 39 N -0.10 -1.36 0.90 -0.72 0.00 -1.26 -4.74 105.19 97.91 1ytj n GLY 39 Ca 0.00 -2.09 0.11 0.00 0.00 0.00 0.00 46.02 44.04 1ytj n GLY 39 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ytj n PRO 40 N 0.00 2.08 -3.25 1.61 -0.04 -1.26 -4.62 135.00 129.52 1ytj n PRO 40 Ca 0.00 -1.86 -0.45 0.00 -0.04 0.00 0.00 63.50 61.15 1ytj n PRO 40 Cb 0.00 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 1ytj n PRO 40 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1ytj n HIS 41 N 1.25 5.22 -4.17 0.54 8.25 -1.26 -4.95 115.22 120.09 1ytj n HIS 41 Ca 0.13 -3.80 -0.11 0.00 -0.26 0.00 0.00 57.72 53.69 1ytj n HIS 41 Cb 0.55 -1.81 -0.10 0.00 1.12 0.00 0.00 29.99 29.75 1ytj n HIS 41 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 1ytj s TYR 42 N -0.69 0.90 -0.11 4.41 -0.85 -1.26 -4.72 117.35 115.04 1ytj s TYR 42 Ca 0.34 -0.94 -0.02 0.00 -0.52 0.00 0.00 57.07 55.92 1ytj s TYR 42 Cb -0.08 -0.53 -0.03 0.00 0.38 0.00 0.00 41.96 41.70 1ytj s TYR 42 CO -0.06 -0.17 -0.01 0.99 -1.52 0.00 0.00 175.55 174.78 1ytj s THR 43 N -3.65 4.19 0.56 -3.49 2.01 -0.92 -4.91 115.64 109.44 1ytj s THR 43 Ca 0.13 -0.28 -0.18 0.00 0.31 0.00 0.00 61.69 61.67 1ytj s THR 43 Cb 0.06 -2.78 -0.05 0.00 0.01 0.00 0.00 72.50 69.73 1ytj s THR 43 CO -0.04 0.57 1.10 -2.84 -0.69 0.00 0.00 174.62 172.71 1ytj s PRO 44 N -0.49 3.35 0.13 4.92 0.02 -1.26 -0.50 135.00 141.16 1ytj s PRO 44 Ca 0.08 1.47 -0.12 0.00 0.02 0.00 0.00 61.00 62.46 1ytj s PRO 44 Cb -0.12 -2.02 0.01 0.00 0.02 0.00 0.00 34.50 32.39 1ytj s PRO 44 CO 0.02 -0.82 0.30 0.15 -0.33 0.00 0.00 177.00 176.32 1ytj s LYS 45 N -3.51 1.03 -0.06 5.54 -0.14 0.12 -4.82 119.74 117.89 1ytj s LYS 45 Ca 0.69 -0.93 0.03 0.00 -1.36 0.00 0.00 55.97 54.41 1ytj s LYS 45 Cb -0.21 0.40 0.01 0.00 -1.68 0.00 0.00 37.83 36.35 1ytj s LYS 45 CO 0.29 -0.37 -0.16 0.96 -0.76 0.00 0.00 175.35 175.31 1ytj s ILE 46 N -3.87 1.39 0.02 2.17 -5.25 -1.26 0.14 121.20 114.55 1ytj s ILE 46 Ca 0.08 -0.65 0.08 0.00 -0.99 0.00 0.00 60.65 59.16 1ytj s ILE 46 Cb 0.03 -1.23 -0.02 0.00 2.95 0.00 0.00 42.46 44.19 1ytj s ILE 46 CO -0.08 0.41 -0.24 0.68 -1.79 0.00 0.00 174.94 173.91 1ytj s VAL 47 N 0.40 1.95 0.13 8.37 -7.23 -0.84 -4.96 120.40 118.23 1ytj s VAL 47 Ca -0.12 -1.21 0.02 0.00 -1.81 0.00 0.00 61.98 58.86 1ytj s VAL 47 Cb -0.15 -1.66 -0.04 0.00 0.56 0.00 0.00 36.38 35.10 1ytj s VAL 47 CO 0.04 0.41 0.27 -0.83 -0.31 0.00 0.00 175.10 174.68 1ytj s GLY 48 N -0.95 1.84 0.00 2.32 0.00 -1.26 -1.17 107.32 108.10 1ytj s GLY 48 Ca 0.10 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 43.84 1ytj s GLY 48 CO 0.01 -0.97 0.00 0.61 0.00 0.00 0.00 173.10 172.75 1ytj n GLY 49 N -0.33 4.65 0.35 0.20 0.00 -0.20 -4.98 105.19 104.88 1ytj n GLY 49 Ca -0.06 -1.49 -0.12 0.00 0.00 0.00 0.00 46.02 44.35 1ytj n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ytj h ILE 50 N 0.39 0.00 -0.29 -0.61 1.08 -2.03 -3.16 117.51 112.89 1ytj h ILE 50 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1ytj h ILE 50 Cb 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.75 1ytj h ILE 50 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.07 1ytj n GLY 51 N -1.34 1.49 0.00 5.37 0.00 -1.26 -5.00 105.19 104.45 1ytj n GLY 51 Ca -0.06 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1ytj n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ytj n GLY 52 N 0.59 0.71 3.23 -0.02 0.00 -1.20 -5.14 105.19 103.37 1ytj n GLY 52 Ca 0.12 -1.90 -0.13 0.00 0.00 0.00 0.00 46.02 44.11 1ytj n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ytj s PHE 53 N -2.29 1.17 0.09 1.61 -0.12 -1.26 -1.03 117.98 116.16 1ytj s PHE 53 Ca 0.00 -1.12 0.03 0.00 -0.05 0.00 0.00 56.93 55.78 1ytj s PHE 53 Cb 0.00 -0.67 -0.04 0.00 -0.63 0.00 0.00 43.02 41.69 1ytj s PHE 53 CO 0.00 -0.34 -0.08 0.96 -0.05 0.00 0.00 175.22 175.71 1ytj s ILE 54 N -3.80 0.76 -0.05 -4.49 -4.36 -0.31 -4.97 121.20 103.97 1ytj s ILE 54 Ca 0.27 -1.69 -0.27 0.00 -0.26 0.00 0.00 60.65 58.70 1ytj s ILE 54 Cb 0.07 -1.39 -0.03 0.00 1.25 0.00 0.00 42.46 42.36 1ytj s ILE 54 CO 0.06 -0.68 0.87 0.20 0.24 0.00 0.00 174.94 175.62 1ytj s ASN 55 N -2.60 7.18 0.23 4.36 0.01 -1.26 -1.99 114.94 120.87 1ytj s ASN 55 Ca 0.06 1.43 0.05 0.00 -0.71 0.00 0.00 52.86 53.69 1ytj s ASN 55 Cb -0.00 -2.50 -0.05 0.00 0.41 0.00 0.00 41.25 39.10 1ytj s ASN 55 CO -0.02 -0.25 -0.03 0.42 -1.51 0.00 0.00 177.10 175.70 1ytj s THR 56 N 1.19 1.24 -0.27 1.60 -4.23 0.12 -4.38 115.64 110.92 1ytj s THR 56 Ca 0.45 -2.07 -0.02 0.00 -1.18 0.00 0.00 61.69 58.87 1ytj s THR 56 Cb -0.19 -2.31 0.03 0.00 1.34 0.00 0.00 72.50 71.37 1ytj s THR 56 CO 0.22 -0.37 -0.03 -0.54 -0.54 0.00 0.00 174.62 173.36 1ytj s LYS 57 N -3.81 2.78 -0.13 3.99 1.02 0.03 0.11 119.74 123.74 1ytj s LYS 57 Ca 0.27 -1.02 -0.17 0.00 0.02 0.00 0.00 55.97 55.07 1ytj s LYS 57 Cb 0.05 -3.09 -0.04 0.00 -0.52 0.00 0.00 37.83 34.23 1ytj s LYS 57 CO 0.09 -0.45 0.44 -2.00 -0.92 0.00 0.00 175.35 172.50 1ytj s GLU 58 N 1.34 4.32 0.03 1.68 2.12 0.34 -1.55 118.70 126.97 1ytj s GLU 58 Ca -0.01 0.38 0.07 0.00 0.36 0.00 0.00 54.97 55.77 1ytj s GLU 58 Cb -0.17 -3.43 -0.03 0.00 0.26 0.00 0.00 34.13 30.75 1ytj s GLU 58 CO -0.03 0.18 -0.20 0.71 -0.54 0.00 0.00 175.26 175.37 1ytj s TYR 59 N 0.59 2.50 0.16 5.30 2.02 -0.13 -2.16 117.35 125.62 1ytj s TYR 59 Ca 0.24 -0.30 0.08 0.00 -0.37 0.00 0.00 57.07 56.72 1ytj s TYR 59 Cb -0.15 -1.47 -0.04 0.00 -0.40 0.00 0.00 41.96 39.90 1ytj s TYR 59 CO 0.09 0.19 -0.09 0.15 -1.57 0.00 0.00 175.55 174.32 1ytj s LYS 60 N -1.24 2.10 -1.57 -0.62 1.02 -1.26 -2.20 119.74 115.97 1ytj s LYS 60 Ca 0.13 -1.19 -0.07 0.00 0.02 0.00 0.00 55.97 54.86 1ytj s LYS 60 Cb -0.10 -2.21 0.06 0.00 -0.52 0.00 0.00 37.83 35.06 1ytj s LYS 60 CO 0.03 0.45 0.40 0.09 -0.92 0.00 0.00 175.35 175.41 1ytj n ASN 61 N 0.20 -0.78 -4.78 2.83 4.13 -1.15 -4.92 115.26 110.79 1ytj n ASN 61 Ca -0.11 -1.12 -0.36 0.00 1.68 0.00 0.00 54.58 54.67 1ytj n ASN 61 Cb 0.55 -2.39 -0.05 0.00 -1.54 0.00 0.00 39.78 36.35 1ytj n ASN 61 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1ytj s VAL 62 N -3.86 3.86 -0.19 2.41 1.01 0.60 -4.63 120.40 119.59 1ytj s VAL 62 Ca 0.26 1.43 -0.09 0.00 0.00 0.00 0.00 61.98 63.58 1ytj s VAL 62 Cb -0.15 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 1ytj s VAL 62 CO 0.95 0.02 0.12 -1.83 0.00 0.00 0.00 175.10 174.35 1ytj s GLU 63 N -2.43 4.13 -0.09 2.72 -1.05 -1.26 -0.60 118.70 120.11 1ytj s GLU 63 Ca 0.56 -0.24 0.04 0.00 -0.15 0.00 0.00 54.97 55.19 1ytj s GLU 63 Cb -0.21 -3.38 -0.01 0.00 -0.44 0.00 0.00 34.13 30.10 1ytj s GLU 63 CO 0.26 0.31 -0.22 0.08 0.95 0.00 0.00 175.26 176.65 1ytj s VAL 64 N 0.31 2.29 -0.16 1.83 1.01 -0.67 -0.45 120.40 124.56 1ytj s VAL 64 Ca 0.07 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.12 1ytj s VAL 64 Cb -0.11 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.41 1ytj s VAL 64 CO -0.01 0.56 -0.21 -0.70 0.00 0.00 0.00 175.10 174.74 1ytj s GLU 65 N 0.11 2.97 -0.25 2.72 2.12 -0.43 -0.82 118.70 125.12 1ytj s GLU 65 Ca -0.11 -0.83 -0.26 0.00 0.36 0.00 0.00 54.97 54.14 1ytj s GLU 65 Cb -0.16 -2.49 0.09 0.00 0.26 0.00 0.00 34.13 31.83 1ytj s GLU 65 CO 0.06 -0.12 0.84 0.54 -0.54 0.00 0.00 175.26 176.04 1ytj s VAL 66 N 1.08 0.00 -1.58 3.70 0.11 0.28 -0.68 120.40 123.31 1ytj s VAL 66 Ca -0.00 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 58.95 1ytj s VAL 66 Cb -0.14 -1.00 0.09 0.00 -1.53 0.00 0.00 36.38 33.79 1ytj s VAL 66 CO -0.08 0.00 0.57 0.18 -3.33 0.00 0.00 175.10 172.44 1ytj n LEU 67 N 2.24 -1.82 0.00 2.54 4.77 -1.26 -1.40 117.00 122.06 1ytj n LEU 67 Ca -0.14 -1.04 0.00 0.00 -0.03 0.00 0.00 56.01 54.81 1ytj n LEU 67 Cb 0.56 -2.09 0.00 0.00 -2.33 0.00 0.00 43.42 39.56 1ytj n LEU 67 CO 0.06 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1ytj n GLY 68 N -1.73 1.24 3.34 -0.72 0.00 -1.26 -5.04 105.19 101.02 1ytj n GLY 68 Ca -0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 1ytj n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ytj s LYS 69 N -0.06 1.30 -0.17 1.61 1.02 -0.49 -5.11 119.74 117.82 1ytj s LYS 69 Ca 0.00 -1.47 -0.02 0.00 0.02 0.00 0.00 55.97 54.50 1ytj s LYS 69 Cb 0.00 -1.27 -0.01 0.00 -0.52 0.00 0.00 37.83 36.03 1ytj s LYS 69 CO 0.00 0.24 -0.08 1.03 -0.92 0.00 0.00 175.35 175.62 1ytj s ARG 70 N -3.07 3.42 0.07 1.68 0.52 -1.26 -0.56 118.95 119.75 1ytj s ARG 70 Ca 0.18 -0.64 0.03 0.00 -0.52 0.00 0.00 55.73 54.78 1ytj s ARG 70 Cb -0.04 -2.84 -0.03 0.00 0.52 0.00 0.00 34.95 32.56 1ytj s ARG 70 CO 0.07 0.03 -0.09 0.96 0.02 0.00 0.00 175.30 176.28 1ytj s ILE 71 N 0.86 0.79 -0.03 1.52 -4.36 0.00 -4.99 121.20 114.99 1ytj s ILE 71 Ca -0.02 -1.43 0.02 0.00 -0.26 0.00 0.00 60.65 58.96 1ytj s ILE 71 Cb -0.15 -1.09 -0.03 0.00 1.25 0.00 0.00 42.46 42.44 1ytj s ILE 71 CO 0.01 -0.49 -0.07 -1.59 0.24 0.00 0.00 174.94 173.05 1ytj s LYS 72 N -2.33 2.65 0.24 0.37 -2.85 -1.26 -1.66 119.74 114.89 1ytj s LYS 72 Ca -0.00 -0.63 -0.18 0.00 -1.00 0.00 0.00 55.97 54.15 1ytj s LYS 72 Cb -0.05 -2.55 0.07 0.00 -2.06 0.00 0.00 37.83 33.23 1ytj s LYS 72 CO -0.00 0.63 0.89 0.41 0.10 0.00 0.00 175.35 177.38 1ytj n GLY 73 N 1.88 0.78 3.62 0.59 0.00 0.23 -4.85 105.19 107.43 1ytj n GLY 73 Ca -0.17 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 1ytj n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ytj s THR 74 N -2.12 4.76 -0.02 2.61 2.01 -1.26 -0.29 115.64 121.34 1ytj s THR 74 Ca 0.19 1.24 0.06 0.00 0.31 0.00 0.00 61.69 63.49 1ytj s THR 74 Cb -0.03 -4.18 -0.03 0.00 0.01 0.00 0.00 72.50 68.28 1ytj s THR 74 CO 0.07 -0.27 -0.20 -0.63 -0.69 0.00 0.00 174.62 172.90 1ytj s ILE 75 N 3.03 2.63 0.17 1.82 -1.09 -0.94 -4.53 121.20 122.29 1ytj s ILE 75 Ca 0.34 -0.98 0.08 0.00 -2.23 0.00 0.00 60.65 57.86 1ytj s ILE 75 Cb -0.14 -2.01 -0.04 0.00 -1.58 0.00 0.00 42.46 38.69 1ytj s ILE 75 CO 0.13 0.53 -0.04 -0.04 -1.23 0.00 0.00 174.94 174.29 1ytj s MET 76 N -0.86 2.28 0.05 2.79 -1.94 -0.59 -0.96 119.30 120.07 1ytj s MET 76 Ca 0.12 -1.14 0.08 0.00 -1.71 0.00 0.00 55.69 53.04 1ytj s MET 76 Cb -0.10 -2.30 -0.03 0.00 2.01 0.00 0.00 34.83 34.41 1ytj s MET 76 CO 0.01 0.46 -0.23 0.95 -0.01 0.00 0.00 175.02 176.20 1ytj s THR 77 N -1.66 1.86 -0.07 2.05 -4.23 -0.60 -0.59 115.64 112.40 1ytj s THR 77 Ca 0.26 -1.32 -0.31 0.00 -1.18 0.00 0.00 61.69 59.14 1ytj s THR 77 Cb -0.09 -1.61 0.11 0.00 1.34 0.00 0.00 72.50 72.24 1ytj s THR 77 CO 0.17 0.23 1.36 -0.83 -0.54 0.00 0.00 174.62 175.01 1ytj s GLY 78 N -1.31 -0.25 -1.36 3.99 0.00 -1.06 -0.78 107.32 106.54 1ytj s GLY 78 Ca 0.09 0.27 -0.14 0.00 0.00 0.00 0.00 44.72 44.94 1ytj s GLY 78 CO 0.02 5.33 1.96 1.34 0.00 0.00 0.00 173.10 181.75 1ytj n ASP 79 N -0.92 4.51 -4.81 1.64 2.03 -1.26 -4.24 116.55 113.50 1ytj n ASP 79 Ca 0.03 -2.93 -0.37 0.00 0.52 0.00 0.00 54.79 52.04 1ytj n ASP 79 Cb 0.59 -1.64 -0.06 0.00 -0.72 0.00 0.00 41.12 39.29 1ytj n ASP 79 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1ytj s THR 80 N 2.78 4.67 0.50 5.18 -1.32 -1.26 -4.97 115.64 121.22 1ytj s THR 80 Ca 0.47 1.21 0.24 0.00 -1.21 0.00 0.00 61.69 62.40 1ytj s THR 80 Cb 0.09 -3.88 0.29 0.00 -1.51 0.00 0.00 72.50 67.49 1ytj s THR 80 CO -0.02 0.39 2.14 1.55 -2.21 0.00 0.00 174.62 176.47 1ytj h PRO 81 N 4.00 0.00 -3.26 7.08 0.13 -1.99 -3.45 132.00 134.51 1ytj h PRO 81 Ca -0.49 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.49 1ytj h PRO 81 Cb 1.20 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.10 1ytj h PRO 81 CO 0.65 0.07 -0.43 0.42 -0.23 0.00 0.00 178.00 178.48 1ytj s ILE 82 N -4.56 0.04 0.08 -3.56 1.09 -1.26 -5.15 121.20 107.88 1ytj s ILE 82 Ca -0.04 -0.32 -0.30 0.00 -1.10 0.00 0.00 60.65 58.89 1ytj s ILE 82 Cb 0.15 -0.42 -0.05 0.00 -1.06 0.00 0.00 42.46 41.08 1ytj s ILE 82 CO 0.60 -0.18 0.97 0.20 -0.10 0.00 0.00 174.94 176.44 1ytj s ASN 83 N -0.66 7.47 0.01 3.58 0.01 -1.26 -4.92 114.94 119.17 1ytj s ASN 83 Ca -0.08 1.76 0.06 0.00 -0.71 0.00 0.00 52.86 53.90 1ytj s ASN 83 Cb -0.04 -2.58 -0.02 0.00 0.41 0.00 0.00 41.25 39.01 1ytj s ASN 83 CO 0.01 -0.11 -0.18 0.27 -1.51 0.00 0.00 177.10 175.58 1ytj s ILE 84 N 0.24 1.45 -0.28 0.60 -4.36 -0.19 -0.50 121.20 118.17 1ytj s ILE 84 Ca 0.48 -0.95 -0.10 0.00 -0.26 0.00 0.00 60.65 59.83 1ytj s ILE 84 Cb -0.23 -1.24 -0.03 0.00 1.25 0.00 0.00 42.46 42.21 1ytj s ILE 84 CO 0.29 0.27 0.14 -0.36 0.24 0.00 0.00 174.94 175.53 1ytj s PHE 85 N -0.62 3.16 0.00 1.37 0.40 -0.17 -1.63 117.98 120.49 1ytj s PHE 85 Ca 0.06 -0.31 0.00 0.00 -0.60 0.00 0.00 56.93 56.09 1ytj s PHE 85 Cb -0.08 -2.33 0.00 0.00 0.51 0.00 0.00 43.02 41.12 1ytj s PHE 85 CO 0.00 -0.34 0.00 0.41 0.70 0.00 0.00 175.22 176.00 1ytj n GLY 86 N 4.99 1.42 0.27 4.36 0.00 -1.16 -1.27 105.19 113.80 1ytj n GLY 86 Ca -0.15 -2.02 0.18 0.00 0.00 0.00 0.00 46.02 44.03 1ytj n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ytj h ARG 87 N 0.00 0.00 -0.61 1.61 3.08 -0.76 -1.70 114.38 116.01 1ytj h ARG 87 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1ytj h ARG 87 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 1ytj h ARG 87 CO 0.00 0.00 0.22 -2.95 -1.07 0.00 0.00 179.97 176.17 1ytj h ASN 88 N 0.00 0.86 0.35 7.04 -1.07 -1.79 -0.58 115.58 120.39 1ytj h ASN 88 Ca 0.00 -0.19 -0.32 0.00 0.07 0.00 0.00 56.30 55.86 1ytj h ASN 88 Cb 0.30 -0.22 0.00 0.00 -2.07 0.00 0.00 38.32 36.33 1ytj h ASN 88 CO 0.00 0.82 -1.60 -0.07 0.07 0.00 0.00 177.43 176.64 1ytj h LEU 89 N 0.85 0.50 -1.53 6.14 3.38 -1.73 -3.25 115.31 119.68 1ytj h LEU 89 Ca 0.20 -0.70 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 1ytj h LEU 89 Cb 0.24 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1ytj h LEU 89 CO -0.01 1.58 0.22 -0.07 0.09 0.00 0.00 178.44 180.25 1ytj h LEU 90 N 0.09 0.47 -0.60 1.67 3.38 -1.21 -0.86 115.31 118.24 1ytj h LEU 90 Ca -0.28 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.55 1ytj h LEU 90 Cb 2.06 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 42.67 1ytj h LEU 90 CO 0.18 0.38 -0.16 0.71 0.09 0.00 0.00 178.44 179.64 1ytj h THR 91 N 0.54 1.27 -0.08 0.22 1.35 -1.23 -1.95 112.91 113.03 1ytj h THR 91 Ca 0.14 -1.30 0.00 0.00 -0.55 0.00 0.00 66.41 64.71 1ytj h THR 91 Cb 0.01 1.05 -0.00 0.00 -1.73 0.00 0.00 68.15 67.48 1ytj h THR 91 CO -0.02 0.45 0.05 0.00 -0.25 0.00 0.00 175.52 175.75 1ytj h ALA 92 N 0.98 1.96 -0.34 6.62 0.00 -1.32 -2.48 119.26 124.68 1ytj h ALA 92 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ytj h ALA 92 Cb 0.71 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1ytj h ALA 92 CO 0.05 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.61 1ytj n LEU 93 N -4.53 2.15 -3.58 0.00 4.77 -0.43 -4.94 117.00 110.44 1ytj n LEU 93 Ca -0.02 -1.02 -0.24 0.00 -0.03 0.00 0.00 56.01 54.71 1ytj n LEU 93 Cb 0.10 -0.23 0.08 0.00 -2.33 0.00 0.00 43.42 41.04 1ytj n LEU 93 CO 0.34 0.51 0.24 0.61 -1.33 0.00 0.00 177.39 177.76 1ytj n GLY 94 N 1.18 -0.53 3.85 -0.72 0.00 -0.93 -4.99 105.19 103.03 1ytj n GLY 94 Ca 0.15 0.25 -0.37 0.00 0.00 0.00 0.00 46.02 46.05 1ytj n GLY 94 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ytj s MET 95 N -6.27 3.83 0.19 1.61 -1.94 -0.79 -5.05 119.30 110.88 1ytj s MET 95 Ca 0.56 0.31 0.04 0.00 -1.71 0.00 0.00 55.69 54.88 1ytj s MET 95 Cb -0.25 -3.18 -0.05 0.00 2.01 0.00 0.00 34.83 33.37 1ytj s MET 95 CO 0.73 0.68 -0.04 -1.54 -0.01 0.00 0.00 175.02 174.84 1ytj s SER 96 N -1.20 1.70 -0.37 3.03 1.04 -1.26 -4.72 113.70 111.92 1ytj s SER 96 Ca 0.24 -1.14 -0.11 0.00 0.48 0.00 0.00 55.95 55.42 1ytj s SER 96 Cb -0.16 0.02 0.03 0.00 0.10 0.00 0.00 66.02 66.01 1ytj s SER 96 CO 0.13 -0.46 0.21 -0.22 0.98 0.00 0.00 173.24 173.88 1ytj s LEU 97 N -3.23 4.71 0.05 2.42 2.96 -1.26 -5.07 118.68 119.25 1ytj s LEU 97 Ca 0.23 -0.97 0.03 0.00 -0.22 0.00 0.00 54.13 53.21 1ytj s LEU 97 Cb 0.05 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 1ytj s LEU 97 CO 0.05 -0.38 0.00 0.20 -1.32 0.00 0.00 176.35 174.90 1ytj s ASN 98 N 1.56 5.07 0.00 3.68 -0.87 -1.26 -5.30 114.94 117.81 1ytj s ASN 98 Ca 0.02 -0.11 0.00 0.00 -1.57 0.00 0.00 52.86 51.20 1ytj s ASN 98 Cb -0.19 -1.25 0.00 0.00 -0.02 0.00 0.00 41.25 39.78 1ytj s ASN 98 CO 0.07 0.22 0.00 2.22 -2.57 0.00 0.00 177.10 177.03