#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yu9 s PRO -1 N 0.00 0.23 0.23 1.61 0.04 -1.26 -4.88 135.00 130.96 1yu9 s PRO -1 Ca 0.00 0.67 -0.07 0.00 0.04 0.00 0.00 61.00 61.64 1yu9 s PRO -1 Cb 0.00 -1.70 0.35 0.00 0.04 0.00 0.00 34.50 33.19 1yu9 s PRO -1 CO 0.00 -2.90 1.75 -0.07 0.04 0.00 0.00 177.00 175.82 1yu9 h LEU 0 N -2.02 0.31 -0.02 -3.56 3.38 -2.09 -2.04 115.31 109.27 1yu9 h LEU 0 Ca -0.55 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1yu9 h LEU 0 Cb 1.32 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1yu9 h LEU 0 CO 0.55 0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.85 1yu9 n GLY 1 N -1.31 -1.09 0.02 0.83 0.00 -1.26 -3.09 105.19 99.29 1yu9 n GLY 1 Ca 0.11 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.19 1yu9 n GLY 1 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1yu9 n SER 2 N -1.53 0.65 -4.88 1.61 3.41 -0.77 -4.96 113.62 107.15 1yu9 n SER 2 Ca 0.04 -0.42 -0.33 0.00 -0.26 0.00 0.00 58.87 57.90 1yu9 n SER 2 Cb 0.20 0.93 -0.05 0.00 -0.26 0.00 0.00 64.21 65.03 1yu9 n SER 2 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1yu9 s GLU 3 N -3.15 3.68 -0.18 4.33 2.02 -1.18 -5.00 118.70 119.21 1yu9 s GLU 3 Ca 0.04 0.04 0.01 0.00 0.02 0.00 0.00 54.97 55.08 1yu9 s GLU 3 Cb 0.15 -2.94 0.03 0.00 0.10 0.00 0.00 34.13 31.47 1yu9 s GLU 3 CO 0.82 0.53 -0.14 0.99 0.02 0.00 0.00 175.26 177.49 1yu9 s THR 4 N -1.50 1.70 -0.05 3.63 2.01 -1.26 -5.07 115.64 115.11 1yu9 s THR 4 Ca 0.36 -0.86 -0.20 0.00 0.31 0.00 0.00 61.69 61.29 1yu9 s THR 4 Cb -0.13 -1.66 0.04 0.00 0.01 0.00 0.00 72.50 70.76 1yu9 s THR 4 CO 0.20 0.35 0.46 -0.72 -0.69 0.00 0.00 174.62 174.22 1yu9 s TYR 5 N 1.41 -0.38 -0.11 4.92 -0.85 -1.26 -4.85 117.35 116.22 1yu9 s TYR 5 Ca 0.02 0.68 0.16 0.00 -0.52 0.00 0.00 57.07 57.41 1yu9 s TYR 5 Cb -0.14 0.21 -0.22 0.00 0.38 0.00 0.00 41.96 42.19 1yu9 s TYR 5 CO -0.10 -0.45 0.52 -0.25 -1.52 0.00 0.00 175.55 173.75 1yu9 n ASP 6 N 1.34 0.57 -4.03 -0.18 8.00 0.15 -4.96 116.55 117.43 1yu9 n ASP 6 Ca -0.20 0.26 -0.15 0.00 0.71 0.00 0.00 54.79 55.41 1yu9 n ASP 6 Cb 0.56 0.42 -0.13 0.00 -0.02 0.00 0.00 41.12 41.95 1yu9 n ASP 6 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1yu9 s PHE 7 N -2.70 0.65 -0.20 1.24 0.40 -1.03 -5.04 117.98 111.30 1yu9 s PHE 7 Ca -0.06 -0.30 0.02 0.00 -0.60 0.00 0.00 56.93 55.99 1yu9 s PHE 7 Cb 0.08 -0.40 0.03 0.00 0.51 0.00 0.00 43.02 43.24 1yu9 s PHE 7 CO 0.83 -0.04 -0.16 -1.17 0.70 0.00 0.00 175.22 175.38 1yu9 s LEU 8 N -0.88 2.51 -0.05 -0.37 2.96 -1.26 -0.70 118.68 120.89 1yu9 s LEU 8 Ca -0.03 -0.89 0.04 0.00 -0.22 0.00 0.00 54.13 53.03 1yu9 s LEU 8 Cb -0.06 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.15 1yu9 s LEU 8 CO 0.00 -0.08 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.44 1yu9 s PHE 9 N 1.26 2.68 -0.28 5.38 2.99 -0.15 -5.00 117.98 124.86 1yu9 s PHE 9 Ca 0.00 -0.21 -0.13 0.00 0.00 0.00 0.00 56.93 56.59 1yu9 s PHE 9 Cb -0.15 -1.63 -0.04 0.00 0.00 0.00 0.00 43.02 41.19 1yu9 s PHE 9 CO -0.10 0.14 0.29 0.21 -0.00 0.00 0.00 175.22 175.76 1yu9 s LYS 10 N -0.65 3.97 0.21 0.44 2.20 -1.26 -0.52 119.74 124.13 1yu9 s LYS 10 Ca 0.10 -0.15 0.09 0.00 -0.36 0.00 0.00 55.97 55.66 1yu9 s LYS 10 Cb -0.11 -3.66 -0.04 0.00 -1.51 0.00 0.00 37.83 32.51 1yu9 s LYS 10 CO 0.01 -0.24 -0.10 -0.06 -0.36 0.00 0.00 175.35 174.60 1yu9 s PHE 11 N 1.92 2.59 0.05 4.03 0.40 0.12 -0.72 117.98 126.37 1yu9 s PHE 11 Ca 0.11 -0.24 0.00 0.00 -0.60 0.00 0.00 56.93 56.20 1yu9 s PHE 11 Cb -0.16 -1.23 -0.03 0.00 0.51 0.00 0.00 43.02 42.10 1yu9 s PHE 11 CO 0.10 0.55 -0.04 -0.48 0.70 0.00 0.00 175.22 176.05 1yu9 s LEU 12 N -3.04 2.41 -0.20 -0.37 2.34 -0.96 -1.08 118.68 117.79 1yu9 s LEU 12 Ca 0.26 -0.84 -0.02 0.00 0.06 0.00 0.00 54.13 53.59 1yu9 s LEU 12 Cb -0.08 0.08 -0.00 0.00 -0.56 0.00 0.00 46.19 45.63 1yu9 s LEU 12 CO 0.16 -0.46 -0.09 -0.69 -1.06 0.00 0.00 176.35 174.20 1yu9 s VAL 13 N -3.02 2.99 0.14 1.48 1.01 -0.05 -1.32 120.40 121.62 1yu9 s VAL 13 Ca 0.01 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.41 1yu9 s VAL 13 Cb 0.01 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1yu9 s VAL 13 CO -0.06 0.46 -0.11 0.27 0.00 0.00 0.00 175.10 175.67 1yu9 s ILE 14 N 1.31 1.21 0.00 2.22 -4.36 -0.29 -2.46 121.20 118.83 1yu9 s ILE 14 Ca 0.04 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.43 1yu9 s ILE 14 Cb -0.14 -1.78 0.00 0.00 1.25 0.00 0.00 42.46 41.78 1yu9 s ILE 14 CO -0.05 -0.69 0.00 0.61 0.24 0.00 0.00 174.94 175.06 1yu9 n GLY 15 N -0.07 2.99 3.58 6.27 0.00 -1.26 -0.70 105.19 116.01 1yu9 n GLY 15 Ca -0.11 -1.65 -0.35 0.00 0.00 0.00 0.00 46.02 43.91 1yu9 n GLY 15 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1yu9 n ASN 16 N 0.00 0.01 -4.71 1.61 4.13 -1.26 -4.26 115.26 110.79 1yu9 n ASN 16 Ca 0.00 0.60 -0.43 0.00 1.68 0.00 0.00 54.58 56.43 1yu9 n ASN 16 Cb 0.00 -1.37 -0.02 0.00 -1.54 0.00 0.00 39.78 36.85 1yu9 n ASN 16 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1yu9 n ALA 17 N -2.78 1.68 -0.82 5.41 0.00 -1.25 -2.71 120.51 120.04 1yu9 n ALA 17 Ca 0.12 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1yu9 n ALA 17 Cb 0.50 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.61 1yu9 n ALA 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yu9 n GLY 18 N 1.83 0.67 0.23 0.00 0.00 -1.26 -4.92 105.19 101.74 1yu9 n GLY 18 Ca 0.09 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.24 1yu9 n GLY 18 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1yu9 h THR 19 N 0.00 0.03 0.00 2.61 1.35 -1.87 -3.48 112.91 111.56 1yu9 h THR 19 Ca 0.00 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 64.97 1yu9 h THR 19 Cb 0.00 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 1yu9 h THR 19 CO 0.00 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 175.90 1yu9 n GLY 20 N 0.78 1.42 0.09 5.82 0.00 -1.26 -4.60 105.19 107.44 1yu9 n GLY 20 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 1yu9 n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yu9 h LYS 21 N 0.00 0.02 -0.64 1.61 1.57 -1.91 0.12 116.57 117.33 1yu9 h LYS 21 Ca 0.00 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1yu9 h LYS 21 Cb 0.00 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1yu9 h LYS 21 CO 0.00 0.01 0.15 0.77 -0.57 0.00 0.00 179.45 179.82 1yu9 h SER 22 N 0.02 0.97 -0.48 0.86 0.02 -1.95 -1.86 113.55 111.12 1yu9 h SER 22 Ca 0.07 -0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 60.75 1yu9 h SER 22 Cb 0.11 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.36 1yu9 h SER 22 CO -0.15 0.96 0.19 0.00 -1.14 0.00 0.00 176.83 176.68 1yu9 h LEU 24 N 0.77 0.58 -0.30 0.00 3.38 -0.58 0.41 115.31 119.56 1yu9 h LEU 24 Ca 0.18 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1yu9 h LEU 24 Cb 0.19 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1yu9 h LEU 24 CO -0.01 0.52 0.02 0.25 0.09 0.00 0.00 178.44 179.30 1yu9 h LEU 25 N 0.59 0.51 -0.77 1.67 5.85 -1.08 -1.70 115.31 120.38 1yu9 h LEU 25 Ca 0.16 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 1yu9 h LEU 25 Cb 0.08 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 1yu9 h LEU 25 CO -0.02 0.67 0.47 -0.74 -0.34 0.00 0.00 178.44 178.48 1yu9 h HIS 26 N 0.32 1.01 -0.34 1.25 2.76 -1.05 -0.44 115.15 118.66 1yu9 h HIS 26 Ca 0.09 0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.29 1yu9 h HIS 26 Cb 0.40 -0.33 -0.03 0.00 1.55 0.00 0.00 27.41 29.00 1yu9 h HIS 26 CO 0.03 0.67 0.14 0.37 -1.30 0.00 0.00 177.93 177.84 1yu9 h GLN 27 N 1.05 0.28 -0.34 5.26 5.75 -0.83 0.15 115.11 126.44 1yu9 h GLN 27 Ca 0.28 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.76 1yu9 h GLN 27 Cb -0.05 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.42 1yu9 h GLN 27 CO -0.05 0.19 0.20 0.35 -2.65 0.00 0.00 178.83 176.86 1yu9 h PHE 28 N 0.29 0.45 0.07 3.99 3.57 -0.63 0.13 116.94 124.81 1yu9 h PHE 28 Ca 0.15 -0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.49 1yu9 h PHE 28 Cb 0.11 -0.15 0.02 0.00 2.79 0.00 0.00 35.95 38.72 1yu9 h PHE 28 CO -0.13 0.33 -0.67 0.82 -2.23 0.00 0.00 178.31 176.44 1yu9 h ILE 29 N 0.43 1.49 -0.00 1.41 1.08 -1.01 -3.39 117.51 117.51 1yu9 h ILE 29 Ca 0.12 -2.31 0.00 0.00 -0.39 0.00 0.00 64.86 62.28 1yu9 h ILE 29 Cb 0.02 2.93 0.00 0.00 -3.07 0.00 0.00 36.82 36.70 1yu9 h ILE 29 CO -0.02 0.66 -0.42 -0.62 -0.69 0.00 0.00 178.15 177.06 1yu9 n GLU 30 N -4.20 2.41 -3.42 2.37 -0.58 0.51 -4.99 120.64 112.75 1yu9 n GLU 30 Ca -0.12 -0.36 -0.25 0.00 -0.42 0.00 0.00 57.16 56.01 1yu9 n GLU 30 Cb 0.73 -1.13 0.02 0.00 -0.57 0.00 0.00 31.44 30.50 1yu9 n GLU 30 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1yu9 n LYS 31 N -0.72 -4.76 -4.10 3.49 5.02 0.45 -4.98 118.16 112.55 1yu9 n LYS 31 Ca 0.04 0.67 -0.14 0.00 -2.02 0.00 0.00 58.31 56.86 1yu9 n LYS 31 Cb 0.23 -5.50 -0.11 0.00 -0.02 0.00 0.00 35.03 29.63 1yu9 n LYS 31 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1yu9 s LYS 32 N -6.10 0.65 -0.20 1.97 1.02 -1.26 -5.01 119.74 110.81 1yu9 s LYS 32 Ca 0.46 -0.90 -0.26 0.00 0.02 0.00 0.00 55.97 55.29 1yu9 s LYS 32 Cb -0.22 -0.39 -0.01 0.00 -0.52 0.00 0.00 37.83 36.69 1yu9 s LYS 32 CO 0.56 0.07 0.87 0.12 -0.92 0.00 0.00 175.35 176.04 1yu9 s PHE 33 N -1.75 3.38 0.15 3.18 5.36 -1.26 -3.05 117.98 123.98 1yu9 s PHE 33 Ca -0.04 1.26 -0.31 0.00 -0.96 0.00 0.00 56.93 56.87 1yu9 s PHE 33 Cb -0.07 -3.07 -0.09 0.00 -0.34 0.00 0.00 43.02 39.45 1yu9 s PHE 33 CO 0.00 -0.33 1.48 0.21 -1.46 0.00 0.00 175.22 175.13 1yu9 s LYS 34 N 2.52 4.27 -0.00 10.12 2.20 -1.26 -4.99 119.74 132.59 1yu9 s LYS 34 Ca 0.38 2.23 -0.13 0.00 -0.36 0.00 0.00 55.97 58.10 1yu9 s LYS 34 Cb -0.16 -3.19 -0.05 0.00 -1.51 0.00 0.00 37.83 32.91 1yu9 s LYS 34 CO 0.10 -0.52 0.37 0.16 -0.36 0.00 0.00 175.35 175.10 1yu9 s ASP 35 N 1.09 6.72 -1.34 1.43 -4.77 -1.26 -4.32 116.67 114.21 1yu9 s ASP 35 Ca 0.67 0.86 -0.03 0.00 -3.30 0.00 0.00 52.55 50.75 1yu9 s ASP 35 Cb -0.41 -2.21 0.02 0.00 -1.09 0.00 0.00 42.92 39.23 1yu9 s ASP 35 CO 0.31 0.31 0.80 -0.67 0.70 0.00 0.00 175.17 176.62 1yu9 n ASP 36 N 1.66 -2.09 -4.67 2.11 4.64 -1.26 -4.92 116.55 112.02 1yu9 n ASP 36 Ca -0.14 -0.78 -0.42 0.00 -1.38 0.00 0.00 54.79 52.07 1yu9 n ASP 36 Cb 0.53 -4.16 -0.03 0.00 -1.04 0.00 0.00 41.12 36.42 1yu9 n ASP 36 CO 0.00 0.00 0.00 -0.55 -0.82 0.00 0.00 177.20 175.83 1yu9 s SER 37 N -4.13 6.67 0.33 1.67 0.15 -1.26 -5.01 113.70 112.11 1yu9 s SER 37 Ca 0.14 2.31 0.08 0.00 0.70 0.00 0.00 55.95 59.18 1yu9 s SER 37 Cb -0.07 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.66 1yu9 s SER 37 CO 0.80 -0.89 0.26 0.20 1.20 0.00 0.00 173.24 174.82 1yu9 s ASN 38 N 2.85 5.23 0.15 5.45 0.01 -1.26 -5.07 114.94 122.30 1yu9 s ASN 38 Ca 0.73 -0.51 -0.34 0.00 -0.71 0.00 0.00 52.86 52.02 1yu9 s ASN 38 Cb -0.35 -0.98 -0.16 0.00 0.41 0.00 0.00 41.25 40.17 1yu9 s ASN 38 CO 0.30 -0.32 1.27 1.41 -1.51 0.00 0.00 177.10 178.25 1yu9 n HIS 39 N -1.33 1.49 -2.10 2.20 8.25 -1.26 -4.90 115.22 117.58 1yu9 n HIS 39 Ca -0.02 0.62 -0.41 0.00 -0.26 0.00 0.00 57.72 57.64 1yu9 n HIS 39 Cb 0.60 -2.33 -0.03 0.00 1.12 0.00 0.00 29.99 29.36 1yu9 n HIS 39 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1yu9 s THR 40 N 0.11 2.89 -0.64 1.59 2.01 -1.26 -4.97 115.64 115.36 1yu9 s THR 40 Ca 0.77 0.74 -0.18 0.00 0.31 0.00 0.00 61.69 63.33 1yu9 s THR 40 Cb -0.86 -3.47 0.13 0.00 0.01 0.00 0.00 72.50 68.31 1yu9 s THR 40 CO 0.49 0.11 0.71 -0.63 -0.69 0.00 0.00 174.62 174.61 1yu9 s ILE 41 N 0.07 4.99 0.00 1.82 -1.09 -1.26 -4.69 121.20 121.04 1yu9 s ILE 41 Ca 0.58 -1.33 0.00 0.00 -2.23 0.00 0.00 60.65 57.68 1yu9 s ILE 41 Cb -0.40 -4.48 0.00 0.00 -1.58 0.00 0.00 42.46 36.00 1yu9 s ILE 41 CO 0.41 -1.10 0.00 0.61 -1.23 0.00 0.00 174.94 173.63 1yu9 n GLY 42 N 5.13 2.35 3.52 6.18 0.00 -1.26 -4.79 105.19 116.32 1yu9 n GLY 42 Ca -0.05 -0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 1yu9 n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yu9 s VAL 43 N 0.00 0.00 0.21 1.61 0.11 -1.26 -1.28 120.40 119.79 1yu9 s VAL 43 Ca 0.00 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.08 1yu9 s VAL 43 Cb 0.00 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 1yu9 s VAL 43 CO 0.00 0.00 0.01 -1.61 -3.33 0.00 0.00 175.10 170.17 1yu9 s GLU 44 N -2.01 1.26 0.04 1.54 2.02 -0.21 -4.98 118.70 116.36 1yu9 s GLU 44 Ca -0.02 -1.63 0.05 0.00 0.02 0.00 0.00 54.97 53.38 1yu9 s GLU 44 Cb -0.01 -0.44 -0.02 0.00 0.10 0.00 0.00 34.13 33.76 1yu9 s GLU 44 CO -0.01 -0.14 -0.14 0.12 0.02 0.00 0.00 175.26 175.11 1yu9 s PHE 45 N -3.55 1.23 0.11 1.61 5.36 -1.26 -0.61 117.98 120.87 1yu9 s PHE 45 Ca 0.28 -0.35 -0.12 0.00 -0.96 0.00 0.00 56.93 55.78 1yu9 s PHE 45 Cb 0.06 -0.73 0.01 0.00 -0.34 0.00 0.00 43.02 42.02 1yu9 s PHE 45 CO 0.08 0.03 0.28 0.20 -1.46 0.00 0.00 175.22 174.35 1yu9 s GLY 46 N -1.11 -0.06 0.02 13.12 0.00 -0.23 -4.98 107.32 114.07 1yu9 s GLY 46 Ca 0.02 -0.38 -0.03 0.00 0.00 0.00 0.00 44.72 44.32 1yu9 s GLY 46 CO 0.01 -0.59 0.05 -1.35 0.00 0.00 0.00 173.10 171.22 1yu9 s SER 47 N -2.84 0.16 -0.20 1.64 1.04 -1.26 0.16 113.70 112.40 1yu9 s SER 47 Ca 0.04 -0.42 -0.22 0.00 0.48 0.00 0.00 55.95 55.83 1yu9 s SER 47 Cb 0.04 0.16 0.06 0.00 0.10 0.00 0.00 66.02 66.37 1yu9 s SER 47 CO -0.11 -0.37 0.61 -0.75 0.98 0.00 0.00 173.24 173.60 1yu9 s LYS 48 N -1.69 0.75 -0.19 4.02 2.20 -0.92 -5.00 119.74 118.91 1yu9 s LYS 48 Ca -0.13 0.75 -0.13 0.00 -0.36 0.00 0.00 55.97 56.10 1yu9 s LYS 48 Cb -0.07 0.36 -0.05 0.00 -1.51 0.00 0.00 37.83 36.57 1yu9 s LYS 48 CO -0.01 -0.11 0.26 0.42 -0.36 0.00 0.00 175.35 175.55 1yu9 s ILE 49 N 0.10 5.31 0.25 5.43 1.01 -1.26 -0.86 121.20 131.18 1yu9 s ILE 49 Ca -0.02 0.44 0.11 0.00 0.00 0.00 0.00 60.65 61.19 1yu9 s ILE 49 Cb -0.04 -3.60 -0.05 0.00 0.01 0.00 0.00 42.46 38.79 1yu9 s ILE 49 CO 0.02 0.36 -0.18 0.27 0.00 0.00 0.00 174.94 175.41 1yu9 s ILE 50 N 0.75 2.60 -0.37 2.92 -4.36 0.17 -4.94 121.20 117.98 1yu9 s ILE 50 Ca 0.14 -2.19 -0.15 0.00 -0.26 0.00 0.00 60.65 58.19 1yu9 s ILE 50 Cb -0.13 -2.33 -0.00 0.00 1.25 0.00 0.00 42.46 41.25 1yu9 s ILE 50 CO 0.04 -0.29 0.35 0.21 0.24 0.00 0.00 174.94 175.49 1yu9 s ASN 51 N -3.23 6.15 -0.31 4.36 3.04 -1.26 -0.68 114.94 123.02 1yu9 s ASN 51 Ca 0.27 -0.43 0.02 0.00 0.04 0.00 0.00 52.86 52.76 1yu9 s ASN 51 Cb -0.06 -2.19 0.09 0.00 -1.54 0.00 0.00 41.25 37.55 1yu9 s ASN 51 CO 0.14 -0.38 0.04 -0.69 -3.04 0.00 0.00 177.10 173.16 1yu9 s VAL 52 N 1.95 1.70 -1.39 -5.21 1.01 0.08 -4.77 120.40 113.77 1yu9 s VAL 52 Ca 0.10 -1.80 -0.00 0.00 0.00 0.00 0.00 61.98 60.28 1yu9 s VAL 52 Cb -0.17 -2.18 0.00 0.00 0.00 0.00 0.00 36.38 34.03 1yu9 s VAL 52 CO 0.12 -0.49 0.01 0.61 0.00 0.00 0.00 175.10 175.35 1yu9 n GLY 53 N 4.52 -0.30 1.97 4.51 0.00 -1.26 -2.55 105.19 112.07 1yu9 n GLY 53 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1yu9 n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yu9 n GLY 54 N -1.02 2.95 3.85 -0.02 0.00 -1.26 -5.05 105.19 104.64 1yu9 n GLY 54 Ca -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 1yu9 n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yu9 s LYS 55 N -0.49 3.95 -0.22 1.61 -0.14 -1.06 -5.08 119.74 118.31 1yu9 s LYS 55 Ca 0.00 0.51 -0.11 0.00 -1.36 0.00 0.00 55.97 55.01 1yu9 s LYS 55 Cb 0.00 -2.64 -0.05 0.00 -1.68 0.00 0.00 37.83 33.47 1yu9 s LYS 55 CO 0.00 0.29 0.16 0.71 -0.76 0.00 0.00 175.35 175.76 1yu9 s TYR 56 N -1.79 3.35 -0.18 3.18 1.51 -1.26 -0.74 117.35 121.41 1yu9 s TYR 56 Ca 0.48 0.28 0.01 0.00 -1.01 0.00 0.00 57.07 56.83 1yu9 s TYR 56 Cb -0.12 -2.25 0.02 0.00 -0.11 0.00 0.00 41.96 39.50 1yu9 s TYR 56 CO 0.19 0.13 -0.19 0.08 -1.11 0.00 0.00 175.55 174.66 1yu9 s VAL 57 N 0.85 2.21 -0.22 0.71 1.01 0.15 0.30 120.40 125.41 1yu9 s VAL 57 Ca 0.08 -0.89 -0.22 0.00 0.00 0.00 0.00 61.98 60.95 1yu9 s VAL 57 Cb -0.13 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 1yu9 s VAL 57 CO 0.03 0.53 0.69 -0.75 0.00 0.00 0.00 175.10 175.59 1yu9 s LYS 58 N 1.25 4.19 -0.27 2.72 2.20 0.13 -0.65 119.74 129.31 1yu9 s LYS 58 Ca 0.04 0.70 -0.12 0.00 -0.36 0.00 0.00 55.97 56.23 1yu9 s LYS 58 Cb -0.13 -3.61 -0.05 0.00 -1.51 0.00 0.00 37.83 32.53 1yu9 s LYS 58 CO -0.11 -0.35 0.23 -0.51 -0.36 0.00 0.00 175.35 174.25 1yu9 s LEU 59 N 2.27 4.05 -0.33 5.43 1.43 -0.04 -0.98 118.68 130.50 1yu9 s LEU 59 Ca 0.30 0.09 -0.15 0.00 -1.03 0.00 0.00 54.13 53.34 1yu9 s LEU 59 Cb -0.16 -2.19 -0.01 0.00 0.03 0.00 0.00 46.19 43.86 1yu9 s LEU 59 CO 0.10 -0.05 0.38 -1.10 0.23 0.00 0.00 176.35 175.90 1yu9 s GLN 60 N 1.66 3.62 -0.21 1.70 -0.21 0.33 -2.17 119.66 124.38 1yu9 s GLN 60 Ca 0.09 -0.33 -0.02 0.00 0.02 0.00 0.00 55.36 55.12 1yu9 s GLN 60 Cb -0.15 -3.79 0.00 0.00 1.00 0.00 0.00 33.01 30.07 1yu9 s GLN 60 CO 0.09 -0.51 -0.09 0.42 -2.12 0.00 0.00 175.29 173.08 1yu9 s ILE 61 N 2.07 2.93 -0.41 1.08 1.01 0.12 0.12 121.20 128.13 1yu9 s ILE 61 Ca 0.13 -0.66 -0.15 0.00 0.00 0.00 0.00 60.65 59.97 1yu9 s ILE 61 Cb -0.16 -2.31 0.02 0.00 0.01 0.00 0.00 42.46 40.01 1yu9 s ILE 61 CO 0.12 0.45 0.31 0.26 0.00 0.00 0.00 174.94 176.07 1yu9 s TRP 62 N 1.41 3.24 -0.71 3.97 0.52 -0.24 -1.07 118.94 126.06 1yu9 s TRP 62 Ca 0.05 -0.56 -0.21 0.00 0.02 0.00 0.00 56.10 55.40 1yu9 s TRP 62 Cb -0.14 -2.60 0.09 0.00 -1.15 0.00 0.00 33.47 29.67 1yu9 s TRP 62 CO -0.06 -0.59 0.95 0.34 0.02 0.00 0.00 176.95 177.61 1yu9 s ASP 63 N 1.69 6.27 0.34 2.95 2.15 0.22 -0.87 116.67 129.42 1yu9 s ASP 63 Ca 0.06 -1.31 -0.22 0.00 0.43 0.00 0.00 52.55 51.51 1yu9 s ASP 63 Cb -0.19 -2.39 -0.10 0.00 -0.30 0.00 0.00 42.92 39.94 1yu9 s ASP 63 CO 0.10 -1.30 0.87 0.42 -0.17 0.00 0.00 175.17 175.10 1yu9 s THR 64 N 3.49 4.40 0.22 1.71 -4.23 -1.03 -1.04 115.64 119.16 1yu9 s THR 64 Ca 0.22 1.49 -0.30 0.00 -1.18 0.00 0.00 61.69 61.93 1yu9 s THR 64 Cb -0.16 -3.80 -0.09 0.00 1.34 0.00 0.00 72.50 69.79 1yu9 s THR 64 CO 0.05 -0.03 1.36 0.00 -0.54 0.00 0.00 174.62 175.46 1yu9 s ALA 65 N -1.82 3.57 -0.42 3.99 0.00 -0.40 -4.86 121.76 121.81 1yu9 s ALA 65 Ca 0.53 1.19 0.23 0.00 0.00 0.00 0.00 51.96 53.92 1yu9 s ALA 65 Cb -0.14 -3.51 0.26 0.00 0.00 0.00 0.00 23.12 19.72 1yu9 s ALA 65 CO 0.19 -0.62 1.36 0.78 0.00 0.00 0.00 175.76 177.48 1yu9 h GLY 66 N 5.28 0.00 -3.96 0.00 0.00 -1.85 -3.46 103.07 99.07 1yu9 h GLY 66 Ca -0.45 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.35 1yu9 h GLY 66 CO 0.78 0.00 0.68 1.20 0.00 0.00 0.00 176.54 179.19 1yu9 s GLN 67 N -3.25 4.31 0.51 4.80 -0.21 -1.26 -3.91 119.66 120.65 1yu9 s GLN 67 Ca 0.04 2.27 0.18 0.00 0.02 0.00 0.00 55.36 57.87 1yu9 s GLN 67 Cb 0.09 -3.07 1.26 0.00 1.00 0.00 0.00 33.01 32.29 1yu9 s GLN 67 CO 0.72 -0.27 2.09 1.49 -2.12 0.00 0.00 175.29 177.20 1yu9 h GLU 68 N 3.68 0.06 -0.02 2.91 4.57 -2.01 -1.67 114.58 122.11 1yu9 h GLU 68 Ca -0.49 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 1yu9 h GLU 68 Cb 1.23 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.80 1yu9 h GLU 68 CO 0.68 0.04 0.05 0.07 -1.18 0.00 0.00 179.01 178.67 1yu9 h ARG 69 N 0.07 0.00 -0.58 1.92 0.11 -1.98 -1.20 114.38 112.72 1yu9 h ARG 69 Ca 0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.17 1yu9 h ARG 69 Cb 0.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.37 1yu9 h ARG 69 CO -0.01 0.00 0.00 1.19 0.10 0.00 0.00 179.97 181.25 1yu9 n PHE 70 N -3.32 0.76 -0.13 4.08 0.99 -0.63 -4.58 117.46 114.63 1yu9 n PHE 70 Ca -0.02 -0.39 -0.05 0.00 -0.00 0.00 0.00 57.45 56.99 1yu9 n PHE 70 Cb 0.13 -0.00 0.04 0.00 -1.00 0.00 0.00 39.48 38.64 1yu9 n PHE 70 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 1yu9 h ARG 71 N 4.33 0.28 -0.91 -1.08 2.43 -1.32 -2.67 114.38 115.44 1yu9 h ARG 71 Ca 0.00 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1yu9 h ARG 71 Cb 0.98 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.43 1yu9 h ARG 71 CO 0.00 0.19 0.51 0.77 -1.51 0.00 0.00 179.97 179.93 1yu9 h SER 72 N 0.29 1.13 0.72 -3.80 0.02 -1.81 -2.58 113.55 107.52 1yu9 h SER 72 Ca 0.20 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1yu9 h SER 72 Cb 0.20 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1yu9 h SER 72 CO -0.22 0.89 -0.02 1.33 -1.14 0.00 0.00 176.83 177.68 1yu9 n VAL 73 N -4.34 0.00 0.89 2.27 0.24 -1.05 -3.67 118.33 112.67 1yu9 n VAL 73 Ca 0.10 -0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.50 1yu9 n VAL 73 Cb 0.09 -0.46 0.07 0.00 -1.47 0.00 0.00 33.84 32.06 1yu9 n VAL 73 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1yu9 n THR 74 N -1.35 0.00 -0.35 3.34 -2.24 -0.98 -4.53 114.28 108.17 1yu9 n THR 74 Ca 0.11 -0.46 0.01 0.00 -2.27 0.00 0.00 64.05 61.44 1yu9 n THR 74 Cb 0.28 1.40 0.14 0.00 -2.10 0.00 0.00 70.33 70.06 1yu9 n THR 74 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1yu9 h ARG 75 N 3.80 1.11 -0.77 -0.78 2.47 -1.62 -3.03 114.38 115.56 1yu9 h ARG 75 Ca 0.00 -0.07 0.08 0.00 -1.26 0.00 0.00 59.98 58.74 1yu9 h ARG 75 Cb 0.85 -0.25 -0.05 0.00 -1.65 0.00 0.00 29.97 28.87 1yu9 h ARG 75 CO 0.00 0.74 0.50 1.03 0.56 0.00 0.00 179.97 182.80 1yu9 h SER 76 N 1.15 0.65 0.91 7.04 0.87 -1.85 -2.89 113.55 119.43 1yu9 h SER 76 Ca 0.39 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.96 1yu9 h SER 76 Cb 0.08 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 1yu9 h SER 76 CO -0.15 0.40 0.00 -1.22 -0.53 0.00 0.00 176.83 175.34 1yu9 n TYR 77 N -4.49 0.41 0.13 2.24 4.02 -1.15 -2.30 117.16 116.02 1yu9 n TYR 77 Ca 0.12 0.14 0.01 0.00 -0.01 0.00 0.00 57.90 58.16 1yu9 n TYR 77 Cb 0.29 -0.73 0.02 0.00 -0.02 0.00 0.00 39.34 38.90 1yu9 n TYR 77 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 176.86 177.73 1yu9 h TYR 78 N 0.00 0.00 -3.11 -0.72 -1.99 -1.69 -3.41 116.97 106.05 1yu9 h TYR 78 Ca 0.00 0.00 -0.57 0.00 2.00 0.00 0.00 58.73 60.16 1yu9 h TYR 78 Cb 0.45 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.13 1yu9 h TYR 78 CO 0.00 0.59 0.75 1.03 -0.00 0.00 0.00 178.16 180.52 1yu9 s ARG 79 N -2.96 4.31 -0.10 4.88 0.52 -0.97 -2.24 118.95 122.38 1yu9 s ARG 79 Ca 0.03 1.43 0.00 0.00 -0.52 0.00 0.00 55.73 56.67 1yu9 s ARG 79 Cb 0.08 -3.62 0.00 0.00 0.52 0.00 0.00 34.95 31.93 1yu9 s ARG 79 CO 0.75 -0.54 0.00 0.41 0.02 0.00 0.00 175.30 175.94 1yu9 n GLY 80 N 3.30 0.41 3.73 -3.53 0.00 -1.26 -5.01 105.19 102.82 1yu9 n GLY 80 Ca 0.11 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1yu9 n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yu9 s ALA 81 N -1.75 3.32 0.05 4.61 0.00 -0.95 -4.69 121.76 122.36 1yu9 s ALA 81 Ca 0.00 0.74 0.09 0.00 0.00 0.00 0.00 51.96 52.80 1yu9 s ALA 81 Cb 0.00 -3.36 -0.21 0.00 0.00 0.00 0.00 23.12 19.54 1yu9 s ALA 81 CO 0.00 -0.24 1.03 0.00 0.00 0.00 0.00 175.76 176.55 1yu9 h ALA 82 N 5.89 0.53 -2.69 0.00 0.00 -1.27 -3.43 119.26 118.29 1yu9 h ALA 82 Ca -0.43 -1.13 -0.06 0.00 0.00 0.00 0.00 54.91 53.29 1yu9 h ALA 82 Cb 1.21 0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.97 1yu9 h ALA 82 CO 0.75 1.38 -0.15 0.20 0.00 0.00 0.00 179.25 181.43 1yu9 s GLY 83 N -4.87 -0.18 -0.06 0.00 0.00 -1.20 -2.08 107.32 98.93 1yu9 s GLY 83 Ca -0.01 -0.18 -0.05 0.00 0.00 0.00 0.00 44.72 44.48 1yu9 s GLY 83 CO 0.82 -0.42 0.15 0.00 0.00 0.00 0.00 173.10 173.64 1yu9 s ALA 84 N -3.77 -0.36 -0.29 3.20 0.00 -0.37 -2.26 121.76 117.90 1yu9 s ALA 84 Ca 0.03 0.43 -0.22 0.00 0.00 0.00 0.00 51.96 52.20 1yu9 s ALA 84 Cb 0.03 -0.25 -0.00 0.00 0.00 0.00 0.00 23.12 22.89 1yu9 s ALA 84 CO -0.11 -0.07 0.74 -0.51 0.00 0.00 0.00 175.76 175.80 1yu9 s LEU 85 N 0.15 4.10 -0.33 0.00 1.43 -0.44 -1.40 118.68 122.18 1yu9 s LEU 85 Ca -0.01 0.65 -0.12 0.00 -1.03 0.00 0.00 54.13 53.63 1yu9 s LEU 85 Cb -0.02 -3.00 -0.01 0.00 0.03 0.00 0.00 46.19 43.19 1yu9 s LEU 85 CO -0.00 -0.55 0.22 -0.22 0.23 0.00 0.00 176.35 176.03 1yu9 s LEU 86 N 2.82 4.43 -0.08 1.79 2.96 -0.05 -1.13 118.68 129.41 1yu9 s LEU 86 Ca 0.30 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.73 1yu9 s LEU 86 Cb -0.15 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.42 1yu9 s LEU 86 CO 0.11 -0.24 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.13 1yu9 s VAL 87 N 1.68 3.48 0.35 1.68 1.01 0.13 -0.47 120.40 128.26 1yu9 s VAL 87 Ca 0.05 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.52 1yu9 s VAL 87 Cb -0.17 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 1yu9 s VAL 87 CO 0.09 0.57 0.12 -0.72 0.00 0.00 0.00 175.10 175.17 1yu9 s TYR 88 N -0.49 1.75 -0.24 5.22 -0.85 -0.73 -4.04 117.35 117.97 1yu9 s TYR 88 Ca 0.07 -1.24 -0.03 0.00 -0.52 0.00 0.00 57.07 55.35 1yu9 s TYR 88 Cb -0.12 -1.08 0.01 0.00 0.38 0.00 0.00 41.96 41.15 1yu9 s TYR 88 CO 0.02 -0.30 -0.04 0.34 -1.52 0.00 0.00 175.55 174.05 1yu9 s ASP 89 N -3.49 4.36 0.43 -0.18 -1.08 -1.26 -0.75 116.67 114.69 1yu9 s ASP 89 Ca 0.31 -0.64 0.29 0.00 -0.52 0.00 0.00 52.55 52.00 1yu9 s ASP 89 Cb 0.05 -1.72 1.52 0.00 -1.46 0.00 0.00 42.92 41.31 1yu9 s ASP 89 CO 0.16 -0.09 1.90 0.16 0.52 0.00 0.00 175.17 177.82 1yu9 h ILE 90 N 5.91 0.00 -0.02 4.11 3.07 -1.62 -0.85 117.51 128.12 1yu9 h ILE 90 Ca -0.37 -0.08 0.00 0.00 1.55 0.00 0.00 64.86 65.96 1yu9 h ILE 90 Cb 1.13 0.78 0.00 0.00 -0.27 0.00 0.00 36.82 38.47 1yu9 h ILE 90 CO 0.59 0.00 -0.06 0.35 -1.05 0.00 0.00 178.15 177.98 1yu9 n THR 91 N -2.56 0.00 -3.69 0.16 -2.24 -1.26 0.07 114.28 104.75 1yu9 n THR 91 Ca -0.01 -0.28 -0.29 0.00 -2.27 0.00 0.00 64.05 61.20 1yu9 n THR 91 Cb 0.10 0.70 -0.15 0.00 -2.10 0.00 0.00 70.33 68.87 1yu9 n THR 91 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1yu9 s SER 92 N -2.10 3.70 0.44 3.42 0.15 -0.32 -4.48 113.70 114.51 1yu9 s SER 92 Ca 0.33 -1.40 0.10 0.00 0.70 0.00 0.00 55.95 55.69 1yu9 s SER 92 Cb 0.20 -0.71 0.99 0.00 -1.71 0.00 0.00 66.02 64.79 1yu9 s SER 92 CO 0.37 -0.40 2.07 -0.09 1.20 0.00 0.00 173.24 176.40 1yu9 h ARG 93 N 8.19 0.33 -0.95 5.44 2.43 -1.86 -1.79 114.38 126.15 1yu9 h ARG 93 Ca -0.15 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.06 1yu9 h ARG 93 Cb 1.03 -0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 30.45 1yu9 h ARG 93 CO 0.44 0.24 0.60 1.49 -1.51 0.00 0.00 179.97 181.23 1yu9 h GLU 94 N 0.33 1.06 -0.21 0.20 4.81 -1.94 0.85 114.58 119.67 1yu9 h GLU 94 Ca 0.09 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.15 1yu9 h GLU 94 Cb 0.01 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.14 1yu9 h GLU 94 CO -0.02 0.70 -0.33 1.79 -0.73 0.00 0.00 179.01 180.42 1yu9 h THR 95 N 1.09 1.29 -0.25 0.32 1.35 -1.64 -2.49 112.91 112.57 1yu9 h THR 95 Ca 0.42 -1.41 -0.11 0.00 -0.55 0.00 0.00 66.41 64.76 1yu9 h THR 95 Cb 0.19 1.49 -0.00 0.00 -1.73 0.00 0.00 68.15 68.09 1yu9 h THR 95 CO -0.18 0.44 -0.26 0.22 -0.25 0.00 0.00 175.52 175.49 1yu9 h TYR 96 N 0.38 0.75 0.00 4.73 3.20 -1.29 -3.19 116.97 121.55 1yu9 h TYR 96 Ca 0.05 -0.23 -0.01 0.00 3.14 0.00 0.00 58.73 61.68 1yu9 h TYR 96 Cb 0.77 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.88 1yu9 h TYR 96 CO 0.02 0.94 -0.06 -0.91 -1.64 0.00 0.00 178.16 176.51 1yu9 h ASN 97 N 0.34 0.00 0.87 -2.11 2.35 -0.63 -2.16 115.58 114.24 1yu9 h ASN 97 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1yu9 h ASN 97 Cb 0.82 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.19 1yu9 h ASN 97 CO 0.06 0.06 0.00 0.00 -1.65 0.00 0.00 177.43 175.91 1yu9 n ALA 98 N -2.32 1.97 -0.37 -0.83 0.00 -0.96 -4.22 120.51 113.78 1yu9 n ALA 98 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1yu9 n ALA 98 Cb 0.16 -1.38 0.14 0.00 0.00 0.00 0.00 19.45 18.37 1yu9 n ALA 98 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1yu9 h LEU 99 N 0.00 1.08 -0.66 0.00 3.38 -1.49 -2.40 115.31 115.22 1yu9 h LEU 99 Ca 0.00 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.02 1yu9 h LEU 99 Cb 0.44 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 1yu9 h LEU 99 CO 0.00 0.73 0.37 0.74 0.09 0.00 0.00 178.44 180.37 1yu9 h THR 100 N 1.24 0.97 -0.43 0.22 2.02 -1.81 0.11 112.91 115.23 1yu9 h THR 100 Ca 0.40 -0.23 -0.13 0.00 0.77 0.00 0.00 66.41 67.22 1yu9 h THR 100 Cb 0.02 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 1yu9 h THR 100 CO -0.13 0.12 -0.23 0.78 0.37 0.00 0.00 175.52 176.43 1yu9 h ASN 101 N 0.68 0.95 -0.39 4.18 2.35 -1.74 -0.02 115.58 121.59 1yu9 h ASN 101 Ca 0.30 -0.41 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 1yu9 h ASN 101 Cb 0.18 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 1yu9 h ASN 101 CO -0.18 1.15 0.25 -0.50 -1.65 0.00 0.00 177.43 176.51 1yu9 h TRP 102 N 0.75 0.48 -0.10 1.19 4.06 -1.08 -1.83 115.95 119.43 1yu9 h TRP 102 Ca 0.09 0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.06 1yu9 h TRP 102 Cb 0.81 -0.16 -0.00 0.00 -1.00 0.00 0.00 29.16 28.80 1yu9 h TRP 102 CO 0.06 0.30 0.06 1.25 -3.56 0.00 0.00 178.44 176.55 1yu9 h LEU 103 N 0.52 0.11 -0.25 -4.49 5.85 -0.64 -0.52 115.31 115.90 1yu9 h LEU 103 Ca 0.14 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.87 1yu9 h LEU 103 Cb -0.06 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1yu9 h LEU 103 CO -0.03 0.10 0.07 0.74 -0.34 0.00 0.00 178.44 178.98 1yu9 h THR 104 N 0.12 0.92 -0.78 1.05 2.02 -0.94 -2.04 112.91 113.25 1yu9 h THR 104 Ca 0.04 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 1yu9 h THR 104 Cb 0.00 0.72 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 1yu9 h THR 104 CO -0.01 0.03 0.39 0.44 0.37 0.00 0.00 175.52 176.75 1yu9 h ASP 105 N 0.18 1.01 -0.27 4.18 3.32 -1.17 -1.98 116.42 121.69 1yu9 h ASP 105 Ca 0.11 -0.12 0.02 0.00 0.02 0.00 0.00 57.03 57.06 1yu9 h ASP 105 Cb 0.09 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1yu9 h ASP 105 CO -0.13 0.85 0.14 0.00 -1.72 0.00 0.00 179.24 178.37 1yu9 h ALA 106 N 1.20 0.32 0.00 3.45 0.00 -0.85 -1.17 119.26 122.22 1yu9 h ALA 106 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1yu9 h ALA 106 Cb 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1yu9 h ALA 106 CO -0.04 -0.26 0.00 0.00 0.00 0.00 0.00 179.25 178.96 1yu9 h ARG 107 N 0.29 0.00 0.19 0.00 3.08 -1.21 -0.43 114.38 116.29 1yu9 h ARG 107 Ca 0.11 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.86 1yu9 h ARG 107 Cb 0.02 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.10 1yu9 h ARG 107 CO -0.07 0.00 -1.38 0.52 -1.07 0.00 0.00 179.97 177.97 1yu9 h MET 108 N 0.00 0.40 0.14 0.04 2.86 -1.13 -3.26 114.93 113.98 1yu9 h MET 108 Ca 0.00 -0.69 -0.19 0.00 -2.06 0.00 0.00 59.70 56.76 1yu9 h MET 108 Cb 0.75 0.26 0.02 0.00 0.06 0.00 0.00 31.60 32.69 1yu9 h MET 108 CO 0.00 1.33 -0.83 -0.07 1.06 0.00 0.00 176.91 178.40 1yu9 h LEU 109 N -0.06 0.48 0.00 1.22 3.38 -1.14 -3.46 115.31 115.73 1yu9 h LEU 109 Ca -0.26 -0.95 -0.36 0.00 0.09 0.00 0.00 57.88 56.40 1yu9 h LEU 109 Cb 1.96 -0.16 0.11 0.00 0.09 0.00 0.00 40.66 42.67 1yu9 h LEU 109 CO 0.19 1.40 0.24 0.00 0.09 0.00 0.00 178.44 180.35 1yu9 n ALA 110 N -2.67 -0.65 -1.75 1.53 0.00 -0.18 -4.43 120.51 112.36 1yu9 n ALA 110 Ca -0.14 -1.48 -0.38 0.00 0.00 0.00 0.00 53.44 51.45 1yu9 n ALA 110 Cb 0.83 0.07 0.03 0.00 0.00 0.00 0.00 19.45 20.38 1yu9 n ALA 110 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1yu9 s SER 111 N -4.66 5.47 0.57 0.00 0.01 -1.26 -4.73 113.70 109.09 1yu9 s SER 111 Ca 0.58 2.60 0.28 0.00 1.31 0.00 0.00 55.95 60.72 1yu9 s SER 111 Cb -0.02 -2.62 1.51 0.00 0.21 0.00 0.00 66.02 65.09 1yu9 s SER 111 CO 0.40 -1.42 1.98 1.56 0.41 0.00 0.00 173.24 176.17 1yu9 h GLN 112 N 1.52 0.00 -0.72 12.44 4.20 -1.90 -1.43 115.11 129.22 1yu9 h GLN 112 Ca -0.50 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.21 1yu9 h GLN 112 Cb 1.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.07 1yu9 h GLN 112 CO 0.58 0.00 0.00 0.27 -0.67 0.00 0.00 178.83 179.01 1yu9 n ASN 113 N -3.94 3.84 -4.64 1.46 0.23 -1.26 -4.91 115.26 106.04 1yu9 n ASN 113 Ca 0.07 -2.53 -0.46 0.00 -0.53 0.00 0.00 54.58 51.13 1yu9 n ASN 113 Cb 0.57 -0.59 -0.03 0.00 -2.08 0.00 0.00 39.78 37.64 1yu9 n ASN 113 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1yu9 n ILE 114 N 0.43 0.84 -2.90 1.53 3.06 -0.54 -4.91 119.36 116.86 1yu9 n ILE 114 Ca 0.17 -0.21 -0.42 0.00 -2.50 0.00 0.00 62.75 59.79 1yu9 n ILE 114 Cb 0.81 -1.24 -0.04 0.00 0.54 0.00 0.00 39.64 39.70 1yu9 n ILE 114 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 1yu9 s VAL 115 N -0.03 4.78 -0.14 9.51 1.01 -0.88 -4.95 120.40 129.71 1yu9 s VAL 115 Ca 0.71 1.35 -0.01 0.00 0.00 0.00 0.00 61.98 64.04 1yu9 s VAL 115 Cb -0.73 -4.16 -0.01 0.00 0.00 0.00 0.00 36.38 31.48 1yu9 s VAL 115 CO 0.50 -0.21 -0.12 -0.63 0.00 0.00 0.00 175.10 174.64 1yu9 s ILE 116 N 2.97 3.12 -0.18 2.22 1.01 -1.26 -1.24 121.20 127.84 1yu9 s ILE 116 Ca 0.34 -0.63 -0.02 0.00 0.00 0.00 0.00 60.65 60.34 1yu9 s ILE 116 Cb -0.14 -2.32 -0.01 0.00 0.01 0.00 0.00 42.46 39.99 1yu9 s ILE 116 CO 0.11 0.52 -0.08 -0.51 0.00 0.00 0.00 174.94 174.98 1yu9 s ILE 117 N 0.43 3.27 -0.14 2.92 2.07 -0.49 -2.06 121.20 127.19 1yu9 s ILE 117 Ca -0.09 -0.55 -0.25 0.00 -1.41 0.00 0.00 60.65 58.35 1yu9 s ILE 117 Cb -0.16 -2.44 -0.02 0.00 0.13 0.00 0.00 42.46 39.97 1yu9 s ILE 117 CO 0.05 0.47 0.80 -0.22 -1.91 0.00 0.00 174.94 174.13 1yu9 s LEU 118 N 0.95 4.21 -0.27 8.50 2.96 0.60 -0.87 118.68 134.77 1yu9 s LEU 118 Ca -0.01 1.18 0.00 0.00 -0.22 0.00 0.00 54.13 55.08 1yu9 s LEU 118 Cb -0.15 -3.20 0.05 0.00 0.50 0.00 0.00 46.19 43.39 1yu9 s LEU 118 CO 0.00 -0.32 -0.07 0.00 -1.32 0.00 0.00 176.35 174.64 1yu9 s GLY 120 N 1.20 1.35 0.53 0.00 0.00 -0.65 -1.76 107.32 107.98 1yu9 s GLY 120 Ca -0.05 -1.93 -0.01 0.00 0.00 0.00 0.00 44.72 42.72 1yu9 s GLY 120 CO -0.04 2.24 0.77 0.21 0.00 0.00 0.00 173.10 176.28 1yu9 s ASN 121 N 3.82 5.56 -1.01 1.64 2.47 0.07 -1.00 114.94 126.48 1yu9 s ASN 121 Ca 0.29 0.32 0.00 0.00 0.42 0.00 0.00 52.86 53.88 1yu9 s ASN 121 Cb -0.11 -1.37 0.00 0.00 -1.45 0.00 0.00 41.25 38.32 1yu9 s ASN 121 CO 0.06 -0.96 0.00 0.29 -3.72 0.00 0.00 177.10 172.77 1yu9 n LYS 122 N -2.32 -0.93 0.21 0.43 5.02 -0.77 -1.67 118.16 118.13 1yu9 n LYS 122 Ca 0.04 0.58 0.15 0.00 -2.02 0.00 0.00 58.31 57.06 1yu9 n LYS 122 Cb 0.58 -4.72 0.71 0.00 -0.02 0.00 0.00 35.03 31.58 1yu9 n LYS 122 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 1yu9 h LYS 123 N 0.00 0.00 0.00 1.97 2.10 -1.57 0.19 116.57 119.26 1yu9 h LYS 123 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 1yu9 h LYS 123 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1yu9 h LYS 123 CO 0.33 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.38 1yu9 n ASP 124 N -2.54 0.46 -3.19 7.07 5.68 -1.26 -3.48 116.55 119.29 1yu9 n ASP 124 Ca -0.01 0.64 -0.40 0.00 -0.50 0.00 0.00 54.79 54.52 1yu9 n ASP 124 Cb 0.13 -0.72 0.03 0.00 -1.14 0.00 0.00 41.12 39.42 1yu9 n ASP 124 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1yu9 n LEU 125 N -2.03 7.47 0.24 -2.12 4.77 0.05 -4.81 117.00 120.57 1yu9 n LEU 125 Ca 0.02 -5.04 0.08 0.00 -0.03 0.00 0.00 56.01 51.03 1yu9 n LEU 125 Cb 0.16 -1.11 0.58 0.00 -2.33 0.00 0.00 43.42 40.72 1yu9 n LEU 125 CO 0.15 1.87 0.93 -0.78 -1.33 0.00 0.00 177.39 178.23 1yu9 h ASP 126 N 3.45 0.00 0.25 -1.43 1.82 -1.79 -1.92 116.42 116.80 1yu9 h ASP 126 Ca 0.56 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 57.18 1yu9 h ASP 126 Cb 0.13 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.14 1yu9 h ASP 126 CO 1.34 0.16 -0.11 0.00 -1.61 0.00 0.00 179.24 179.02 1yu9 h ALA 127 N 1.84 1.43 -0.70 -0.78 0.00 -1.93 -2.26 119.26 116.86 1yu9 h ALA 127 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1yu9 h ALA 127 Cb 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1yu9 h ALA 127 CO 0.02 0.13 0.00 -0.25 0.00 0.00 0.00 179.25 179.15 1yu9 n ASP 128 N -3.84 4.14 -4.70 0.00 8.00 -0.72 -5.01 116.55 114.42 1yu9 n ASP 128 Ca -0.02 -2.12 -0.44 0.00 0.71 0.00 0.00 54.79 52.92 1yu9 n ASP 128 Cb 0.21 -0.51 -0.03 0.00 -0.02 0.00 0.00 41.12 40.77 1yu9 n ASP 128 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1yu9 n ARG 129 N 1.47 2.47 -0.00 -1.24 0.63 -0.85 -4.33 116.66 114.82 1yu9 n ARG 129 Ca 0.24 0.89 0.01 0.00 -0.92 0.00 0.00 57.85 58.07 1yu9 n ARG 129 Cb 0.69 -2.69 -0.01 0.00 0.45 0.00 0.00 32.46 30.90 1yu9 n ARG 129 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1yu9 n GLU 130 N 3.42 5.63 -4.11 -0.14 1.02 0.11 -4.93 120.64 121.65 1yu9 n GLU 130 Ca 0.15 -0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 57.01 1yu9 n GLU 130 Cb 0.32 -0.63 -0.17 0.00 -0.02 0.00 0.00 31.44 30.94 1yu9 n GLU 130 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1yu9 s VAL 131 N -1.27 1.37 0.46 2.62 1.01 -0.83 -4.78 120.40 118.97 1yu9 s VAL 131 Ca 0.00 -0.52 -0.21 0.00 0.00 0.00 0.00 61.98 61.25 1yu9 s VAL 131 Cb 0.01 -1.30 -0.09 0.00 0.00 0.00 0.00 36.38 35.00 1yu9 s VAL 131 CO 0.06 0.42 1.03 0.42 0.00 0.00 0.00 175.10 177.04 1yu9 s THR 132 N 1.40 3.83 0.24 3.92 -4.23 -1.26 -4.94 115.64 114.60 1yu9 s THR 132 Ca 0.01 1.21 -0.05 0.00 -1.18 0.00 0.00 61.69 61.68 1yu9 s THR 132 Cb -0.13 -3.52 0.20 0.00 1.34 0.00 0.00 72.50 70.38 1yu9 s THR 132 CO -0.07 -0.18 1.78 0.15 -0.54 0.00 0.00 174.62 175.75 1yu9 h PHE 133 N 1.83 0.68 -0.19 3.99 3.57 -2.00 -2.94 116.94 121.89 1yu9 h PHE 133 Ca -0.49 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.05 1yu9 h PHE 133 Cb 1.21 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.75 1yu9 h PHE 133 CO 0.58 0.22 0.08 1.25 -2.23 0.00 0.00 178.31 178.21 1yu9 h LEU 134 N 0.62 0.11 -0.65 0.59 5.85 -2.00 -0.88 115.31 118.95 1yu9 h LEU 134 Ca 0.38 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 59.01 1yu9 h LEU 134 Cb 0.44 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1yu9 h LEU 134 CO -0.29 0.09 -0.12 1.05 -0.34 0.00 0.00 178.44 178.83 1yu9 h GLU 135 N 0.18 0.93 -0.53 1.25 4.11 -1.93 -1.80 114.58 116.79 1yu9 h GLU 135 Ca 0.08 -0.34 -0.04 0.00 0.07 0.00 0.00 59.36 59.13 1yu9 h GLU 135 Cb 0.03 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1yu9 h GLU 135 CO -0.07 0.99 0.16 0.00 0.07 0.00 0.00 179.01 180.16 1yu9 h ALA 136 N 1.03 0.69 -0.71 1.06 0.00 -1.34 -0.70 119.26 119.29 1yu9 h ALA 136 Ca 0.13 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1yu9 h ALA 136 Cb 0.65 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1yu9 h ALA 136 CO 0.05 0.36 0.26 0.66 0.00 0.00 0.00 179.25 180.57 1yu9 h SER 137 N 0.73 0.99 -0.17 0.00 4.64 -0.89 -0.74 113.55 118.10 1yu9 h SER 137 Ca 0.17 -0.16 -0.12 0.00 -0.47 0.00 0.00 61.79 61.21 1yu9 h SER 137 Cb 0.29 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 1yu9 h SER 137 CO -0.00 0.90 -0.30 0.03 -0.87 0.00 0.00 176.83 176.58 1yu9 h ARG 138 N 1.04 0.66 -0.26 4.77 3.08 -1.17 -0.12 114.38 122.37 1yu9 h ARG 138 Ca 0.24 -0.29 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1yu9 h ARG 138 Cb 0.23 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1yu9 h ARG 138 CO -0.02 0.88 0.15 0.35 -1.07 0.00 0.00 179.97 180.27 1yu9 h PHE 139 N 0.56 0.36 -0.03 3.04 3.57 -0.78 -1.20 116.94 122.46 1yu9 h PHE 139 Ca 0.07 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.58 1yu9 h PHE 139 Cb 0.80 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 1yu9 h PHE 139 CO 0.04 0.28 -0.06 0.00 -2.23 0.00 0.00 178.31 176.34 1yu9 h ALA 140 N 1.04 -0.04 -0.24 2.41 0.00 -0.95 -1.75 119.26 119.74 1yu9 h ALA 140 Ca 0.09 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1yu9 h ALA 140 Cb 0.04 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1yu9 h ALA 140 CO -0.02 -0.55 -0.03 0.37 0.00 0.00 0.00 179.25 179.02 1yu9 h GLN 141 N -0.10 0.03 -0.00 0.00 5.75 -0.90 0.25 115.11 120.15 1yu9 h GLN 141 Ca 0.04 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.53 1yu9 h GLN 141 Cb 0.15 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.69 1yu9 h GLN 141 CO -0.09 0.02 -0.03 1.49 -2.65 0.00 0.00 178.83 177.57 1yu9 h GLU 142 N 0.03 0.00 -0.39 1.69 4.57 -1.09 -2.93 114.58 116.47 1yu9 h GLU 142 Ca 0.11 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 1yu9 h GLU 142 Cb 0.16 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 1yu9 h GLU 142 CO -0.22 0.03 0.00 0.09 -1.18 0.00 0.00 179.01 177.73 1yu9 n ASN 143 N -4.50 3.99 -3.84 1.04 3.02 -0.67 -4.97 115.26 109.34 1yu9 n ASN 143 Ca -0.03 -2.65 -0.25 0.00 -0.03 0.00 0.00 54.58 51.62 1yu9 n ASN 143 Cb 0.12 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.81 1yu9 n ASN 143 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1yu9 n GLU 144 N 0.16 -3.30 -4.42 3.52 -0.58 -0.72 -5.00 120.64 110.30 1yu9 n GLU 144 Ca 0.20 0.47 -0.31 0.00 -0.42 0.00 0.00 57.16 57.11 1yu9 n GLU 144 Cb 0.81 -4.62 -0.11 0.00 -0.57 0.00 0.00 31.44 26.95 1yu9 n GLU 144 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1yu9 s LEU 145 N -6.79 2.95 0.73 -4.62 1.43 -0.00 -4.80 118.68 107.57 1yu9 s LEU 145 Ca 0.09 -0.33 -0.11 0.00 -1.03 0.00 0.00 54.13 52.75 1yu9 s LEU 145 Cb -0.03 -1.73 0.03 0.00 0.03 0.00 0.00 46.19 44.48 1yu9 s LEU 145 CO 0.86 0.23 1.07 -0.04 0.23 0.00 0.00 176.35 178.71 1yu9 s MET 146 N -1.75 2.65 -0.20 1.70 -1.94 -0.87 -4.32 119.30 114.57 1yu9 s MET 146 Ca 0.18 0.88 -0.15 0.00 -1.71 0.00 0.00 55.69 54.90 1yu9 s MET 146 Cb -0.11 -1.96 0.06 0.00 2.01 0.00 0.00 34.83 34.83 1yu9 s MET 146 CO 0.09 -1.28 0.52 0.12 -0.01 0.00 0.00 175.02 174.46 1yu9 s PHE 147 N -3.06 -0.69 0.11 -0.03 5.36 -1.26 -0.29 117.98 118.12 1yu9 s PHE 147 Ca 0.59 1.52 -0.19 0.00 -0.96 0.00 0.00 56.93 57.89 1yu9 s PHE 147 Cb -0.14 0.31 0.05 0.00 -0.34 0.00 0.00 43.02 42.90 1yu9 s PHE 147 CO 0.55 -0.35 0.47 -0.48 -1.46 0.00 0.00 175.22 173.94 1yu9 s LEU 148 N 0.96 0.10 0.15 6.12 2.34 -0.94 -4.99 118.68 122.42 1yu9 s LEU 148 Ca -0.06 -0.11 -0.09 0.00 0.06 0.00 0.00 54.13 53.93 1yu9 s LEU 148 Cb -0.06 2.05 -0.06 0.00 -0.56 0.00 0.00 46.19 47.56 1yu9 s LEU 148 CO -0.08 -0.83 0.46 -1.61 -1.06 0.00 0.00 176.35 173.22 1yu9 s GLU 149 N -3.37 3.77 0.16 1.48 2.02 -1.26 -1.63 118.70 119.86 1yu9 s GLU 149 Ca -0.00 0.18 0.04 0.00 0.02 0.00 0.00 54.97 55.21 1yu9 s GLU 149 Cb 0.00 -2.85 -0.05 0.00 0.10 0.00 0.00 34.13 31.34 1yu9 s GLU 149 CO -0.09 0.46 -0.08 0.95 0.02 0.00 0.00 175.26 176.52 1yu9 s THR 150 N -1.59 1.11 -0.19 3.63 -4.23 -0.17 -4.75 115.64 109.44 1yu9 s THR 150 Ca 0.40 -2.05 -0.01 0.00 -1.18 0.00 0.00 61.69 58.85 1yu9 s THR 150 Cb -0.13 -1.93 0.05 0.00 1.34 0.00 0.00 72.50 71.83 1yu9 s THR 150 CO 0.21 -0.67 -0.02 -0.55 -0.54 0.00 0.00 174.62 173.05 1yu9 s SER 151 N -3.18 3.02 0.48 3.99 0.15 -0.57 -1.84 113.70 115.74 1yu9 s SER 151 Ca 0.19 -0.81 0.23 0.00 0.70 0.00 0.00 55.95 56.26 1yu9 s SER 151 Cb 0.03 -0.82 1.20 0.00 -1.71 0.00 0.00 66.02 64.72 1yu9 s SER 151 CO 0.02 -0.24 1.98 0.00 1.20 0.00 0.00 173.24 176.20 1yu9 h ALA 152 N 8.14 1.30 0.08 5.45 0.00 -1.90 0.11 119.26 132.44 1yu9 h ALA 152 Ca -0.19 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1yu9 h ALA 152 Cb 1.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1yu9 h ALA 152 CO 0.37 0.23 -0.04 1.25 0.00 0.00 0.00 179.25 181.06 1yu9 h LEU 153 N 0.00 -0.10 0.00 0.00 6.46 -1.94 -3.33 115.31 116.41 1yu9 h LEU 153 Ca -0.00 -0.37 -0.13 0.00 -0.12 0.00 0.00 57.88 57.26 1yu9 h LEU 153 Cb 0.45 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.38 1yu9 h LEU 153 CO 0.02 0.34 -1.03 0.71 -0.62 0.00 0.00 178.44 177.86 1yu9 h THR 154 N -0.55 0.58 0.00 1.05 1.35 -1.99 -3.41 112.91 109.94 1yu9 h THR 154 Ca -0.01 -1.98 0.00 0.00 -0.55 0.00 0.00 66.41 63.87 1yu9 h THR 154 Cb 0.46 2.13 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 1yu9 h THR 154 CO 0.02 0.33 0.00 0.61 -0.25 0.00 0.00 175.52 176.23 1yu9 n GLY 155 N 1.31 0.98 3.66 5.82 0.00 0.01 -5.05 105.19 111.92 1yu9 n GLY 155 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1yu9 n GLY 155 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1yu9 s GLU 156 N -0.97 4.14 0.00 1.61 2.12 -1.11 -2.48 118.70 122.01 1yu9 s GLU 156 Ca 0.00 2.62 0.00 0.00 0.36 0.00 0.00 54.97 57.95 1yu9 s GLU 156 Cb 0.00 -4.14 0.00 0.00 0.26 0.00 0.00 34.13 30.25 1yu9 s GLU 156 CO 0.00 -0.95 0.00 -0.25 -0.54 0.00 0.00 175.26 173.52 1yu9 n ASP 157 N 7.45 -1.35 0.05 -1.70 8.00 -1.26 -1.51 116.55 126.23 1yu9 n ASP 157 Ca 0.20 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.57 1yu9 n ASP 157 Cb 0.41 -0.70 -0.09 0.00 -0.02 0.00 0.00 41.12 40.73 1yu9 n ASP 157 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1yu9 h VAL 158 N 0.00 1.11 -0.52 2.53 2.07 -1.78 -1.68 116.25 117.97 1yu9 h VAL 158 Ca 0.00 -0.81 0.02 0.00 0.82 0.00 0.00 66.70 66.73 1yu9 h VAL 158 Cb 0.07 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 1yu9 h VAL 158 CO 0.00 0.20 0.33 -0.08 0.02 0.00 0.00 177.57 178.03 1yu9 h GLU 159 N -0.50 0.64 -0.78 1.57 4.81 -1.91 -2.60 114.58 115.80 1yu9 h GLU 159 Ca -0.01 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1yu9 h GLU 159 Cb 0.42 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 1yu9 h GLU 159 CO 0.02 0.42 0.52 0.93 -0.73 0.00 0.00 179.01 180.17 1yu9 h GLU 160 N 0.66 0.97 -0.19 1.92 3.07 -1.93 -0.95 114.58 118.13 1yu9 h GLU 160 Ca 0.20 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 59.00 1yu9 h GLU 160 Cb -0.02 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 27.67 1yu9 h GLU 160 CO -0.07 0.64 0.11 0.00 -1.40 0.00 0.00 179.01 178.29 1yu9 h ALA 161 N 1.53 0.25 -0.32 3.43 0.00 -0.91 0.11 119.26 123.35 1yu9 h ALA 161 Ca 0.30 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1yu9 h ALA 161 Cb -0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1yu9 h ALA 161 CO -0.08 -0.24 -0.00 0.74 0.00 0.00 0.00 179.25 179.67 1yu9 h PHE 162 N 0.23 0.62 -0.37 0.00 -1.00 -1.36 -2.66 116.94 112.40 1yu9 h PHE 162 Ca 0.07 -0.11 -0.03 0.00 2.81 0.00 0.00 57.97 60.71 1yu9 h PHE 162 Cb 0.04 -0.16 -0.02 0.00 3.61 0.00 0.00 35.95 39.42 1yu9 h PHE 162 CO -0.05 0.69 0.09 0.28 -1.61 0.00 0.00 178.31 177.72 1yu9 h VAL 163 N 0.37 1.22 0.00 -0.55 2.07 -1.07 -2.19 116.25 116.09 1yu9 h VAL 163 Ca 0.09 -0.75 -0.09 0.00 0.82 0.00 0.00 66.70 66.76 1yu9 h VAL 163 Cb 0.45 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1yu9 h VAL 163 CO 0.02 0.26 -0.44 1.56 0.02 0.00 0.00 177.57 178.98 1yu9 h GLN 164 N 0.44 0.00 0.21 1.57 1.08 -1.01 0.10 115.11 117.50 1yu9 h GLN 164 Ca 0.12 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.31 1yu9 h GLN 164 Cb 0.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 1yu9 h GLN 164 CO 0.00 0.44 -0.10 0.00 -0.95 0.00 0.00 178.83 178.22 1yu9 h ALA 166 N 0.31 0.84 -0.27 0.00 0.00 -1.16 -2.58 119.26 116.40 1yu9 h ALA 166 Ca -0.03 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1yu9 h ALA 166 Cb 0.34 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1yu9 h ALA 166 CO 0.05 0.04 0.01 -0.09 0.00 0.00 0.00 179.25 179.25 1yu9 h ARG 167 N 0.67 0.09 -0.69 0.00 9.65 -0.73 -1.73 114.38 121.63 1yu9 h ARG 167 Ca 0.28 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 59.14 1yu9 h ARG 167 Cb 0.15 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.68 1yu9 h ARG 167 CO -0.17 0.06 0.37 -0.22 2.80 0.00 0.00 179.97 182.82 1yu9 h LYS 168 N 0.09 0.96 -0.18 0.20 1.63 -1.25 -1.83 116.57 116.19 1yu9 h LYS 168 Ca 0.13 -0.10 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 1yu9 h LYS 168 Cb 0.16 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.60 1yu9 h LYS 168 CO -0.21 0.71 0.08 0.82 -3.45 0.00 0.00 179.45 177.39 1yu9 h ILE 169 N 0.96 1.14 -0.56 2.00 2.04 -0.98 -3.19 117.51 118.93 1yu9 h ILE 169 Ca 0.24 -0.42 -0.10 0.00 1.00 0.00 0.00 64.86 65.58 1yu9 h ILE 169 Cb 0.03 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1yu9 h ILE 169 CO -0.04 0.14 -0.04 -0.07 0.00 0.00 0.00 178.15 178.14 1yu9 h LEU 170 N 0.14 0.99 -7.33 1.44 3.38 -1.07 -3.41 115.31 109.45 1yu9 h LEU 170 Ca 0.06 -0.29 -0.55 0.00 0.09 0.00 0.00 57.88 57.19 1yu9 h LEU 170 Cb 0.15 -0.27 -0.40 0.00 0.09 0.00 0.00 40.66 40.23 1yu9 h LEU 170 CO -0.01 1.06 -0.77 0.20 0.09 0.00 0.00 178.44 179.02 1yu9 s ASN 171 N -6.61 3.34 0.00 -0.43 0.01 -0.71 -5.12 114.94 105.40 1yu9 s ASN 171 Ca -0.11 -1.06 0.00 0.00 -0.71 0.00 0.00 52.86 50.98 1yu9 s ASN 171 Cb 0.14 -0.77 0.00 0.00 0.41 0.00 0.00 41.25 41.02 1yu9 s ASN 171 CO 0.85 -0.31 0.00 2.29 -1.51 0.00 0.00 177.10 178.42