#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y9j h SER 9 N 0.00 -0.35 0.25 0.00 0.87 -2.06 -1.18 113.55 111.09 1y9j h SER 9 Ca 0.00 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1y9j h SER 9 Cb 0.00 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1y9j h SER 9 CO 0.00 -0.24 -0.12 0.40 -0.53 0.00 0.00 176.83 176.33 1y9j h ILE 10 N -0.40 0.78 -1.03 2.23 5.03 -2.03 -2.46 117.51 119.64 1y9j h ILE 10 Ca -0.04 -0.21 0.26 0.00 -0.12 0.00 0.00 64.86 64.75 1y9j h ILE 10 Cb 0.31 0.91 -0.11 0.00 -3.03 0.00 0.00 36.82 34.90 1y9j h ILE 10 CO 0.06 0.05 0.64 -0.09 -0.68 0.00 0.00 178.15 178.12 1y9j h ARG 11 N -0.45 0.47 -0.30 2.37 9.65 -2.00 0.36 114.38 124.49 1y9j h ARG 11 Ca -0.03 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.81 1y9j h ARG 11 Cb 0.34 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.80 1y9j h ARG 11 CO 0.06 0.31 0.15 0.93 2.80 0.00 0.00 179.97 184.22 1y9j h GLU 12 N 0.49 0.42 -0.94 0.20 5.08 -0.84 -2.32 114.58 116.68 1y9j h GLU 12 Ca 0.63 -0.06 0.16 0.00 -1.00 0.00 0.00 59.36 59.09 1y9j h GLU 12 Cb 1.38 -0.08 -0.08 0.00 0.50 0.00 0.00 28.75 30.47 1y9j h GLU 12 CO -0.39 0.39 0.60 0.00 -1.00 0.00 0.00 179.01 178.61 1y9j h ARG 13 N 0.35 0.68 -0.07 2.33 3.08 0.15 -1.09 114.38 119.81 1y9j h ARG 13 Ca 0.10 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.15 1y9j h ARG 13 Cb 0.10 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 1y9j h ARG 13 CO -0.01 0.45 -0.19 1.96 -1.07 0.00 0.00 179.97 181.11 1y9j h GLN 14 N 0.70 -0.26 0.00 0.04 4.20 -0.81 -0.49 115.11 118.48 1y9j h GLN 14 Ca 0.49 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.21 1y9j h GLN 14 Cb 0.81 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.65 1y9j h GLN 14 CO -0.25 -0.18 -0.04 1.15 -0.67 0.00 0.00 178.83 178.84 1y9j h THR 15 N -0.27 0.22 0.98 -0.54 2.02 -1.14 -2.82 112.91 111.35 1y9j h THR 15 Ca 0.08 -0.33 -0.05 0.00 0.77 0.00 0.00 66.41 66.88 1y9j h THR 15 Cb 0.38 1.26 0.01 0.00 -1.74 0.00 0.00 68.15 68.07 1y9j h THR 15 CO -0.23 0.04 -0.47 0.58 0.37 0.00 0.00 175.52 175.81 1y9j h VAL 16 N 0.00 0.00 0.00 3.16 2.07 -0.40 0.98 116.25 122.06 1y9j h VAL 16 Ca -0.00 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1y9j h VAL 16 Cb 0.26 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.03 1y9j h VAL 16 CO 0.01 0.00 -0.11 0.00 0.02 0.00 0.00 177.57 177.48 1y9j h ALA 17 N -1.39 1.67 0.13 1.67 0.00 -1.47 -1.32 119.26 118.57 1y9j h ALA 17 Ca -0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1y9j h ALA 17 Cb 1.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1y9j h ALA 17 CO 0.22 0.14 -0.06 -0.07 0.00 0.00 0.00 179.25 179.48 1y9j h LEU 18 N 0.00 -0.15 -1.57 0.00 3.38 -1.22 -3.07 115.31 112.68 1y9j h LEU 18 Ca -0.00 0.01 0.26 0.00 0.09 0.00 0.00 57.88 58.23 1y9j h LEU 18 Cb 0.22 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 1y9j h LEU 18 CO 0.01 0.04 0.67 0.11 0.09 0.00 0.00 178.44 179.37 1y9j h LYS 19 N -0.48 0.29 0.18 1.13 1.57 0.10 0.92 116.57 120.29 1y9j h LYS 19 Ca -0.02 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1y9j h LYS 19 Cb 0.14 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1y9j h LYS 19 CO 0.03 0.19 -0.13 -0.09 -0.57 0.00 0.00 179.45 178.88 1y9j h ARG 20 N 0.30 -0.30 0.00 3.15 2.43 -1.32 0.83 114.38 119.46 1y9j h ARG 20 Ca 0.53 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.72 1y9j h ARG 20 Cb 1.54 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 31.16 1y9j h ARG 20 CO -0.19 -0.20 -0.35 0.00 -1.51 0.00 0.00 179.97 177.72 1y9j n MET 21 N -5.25 0.22 0.02 0.20 0.00 -0.21 -1.40 117.12 110.70 1y9j n MET 21 Ca -0.08 0.11 0.11 0.00 0.00 0.00 0.00 57.70 57.84 1y9j n MET 21 Cb 0.17 -1.69 0.03 0.00 0.00 0.00 0.00 33.22 31.74 1y9j n MET 21 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1y9j n LEU 22 N -2.03 0.63 0.01 3.17 4.77 0.30 -4.64 117.00 119.21 1y9j n LEU 22 Ca 0.05 -0.06 -0.03 0.00 -0.03 0.00 0.00 56.01 55.94 1y9j n LEU 22 Cb 0.42 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.39 1y9j n LEU 22 CO 0.33 0.07 -0.33 0.59 -1.33 0.00 0.00 177.39 176.72 1y9j n ASN 23 N -1.87 0.89 -4.56 -1.43 3.02 0.28 -4.77 115.26 106.83 1y9j n ASN 23 Ca 0.02 0.13 -0.40 0.00 -0.03 0.00 0.00 54.58 54.30 1y9j n ASN 23 Cb 0.42 -0.30 -0.03 0.00 -0.61 0.00 0.00 39.78 39.26 1y9j n ASN 23 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1y9j s PHE 24 N -2.13 2.09 0.04 3.10 -0.12 -0.50 -4.98 117.98 115.49 1y9j s PHE 24 Ca -0.05 0.31 -0.26 0.00 -0.05 0.00 0.00 56.93 56.87 1y9j s PHE 24 Cb 0.01 -4.42 -0.05 0.00 -0.63 0.00 0.00 43.02 37.94 1y9j s PHE 24 CO 0.08 -2.13 0.82 0.54 -0.05 0.00 0.00 175.22 174.48 1y9j s ASN 25 N 5.19 7.26 0.67 1.98 4.22 -1.26 -4.61 114.94 128.39 1y9j s ASN 25 Ca 0.48 1.51 -0.13 0.00 -2.14 0.00 0.00 52.86 52.58 1y9j s ASN 25 Cb -0.10 -2.50 0.00 0.00 1.28 0.00 0.00 41.25 39.94 1y9j s ASN 25 CO 0.19 -0.06 1.08 0.68 -2.04 0.00 0.00 177.10 176.95 1y9j s VAL 26 N 0.22 3.56 0.03 3.54 -7.23 -1.26 -4.95 120.40 114.31 1y9j s VAL 26 Ca 0.42 0.64 -0.30 0.00 -1.81 0.00 0.00 61.98 60.92 1y9j s VAL 26 Cb -0.21 -3.19 -0.08 0.00 0.56 0.00 0.00 36.38 33.46 1y9j s VAL 26 CO 0.24 -0.53 1.84 -2.16 -0.31 0.00 0.00 175.10 174.18 1y9j s PRO 27 N -4.44 4.16 0.43 4.82 0.04 -1.26 -4.99 135.00 133.75 1y9j s PRO 27 Ca 0.63 2.48 0.05 0.00 0.04 0.00 0.00 61.00 64.20 1y9j s PRO 27 Cb -0.17 -3.99 -0.06 0.00 0.04 0.00 0.00 34.50 30.32 1y9j s PRO 27 CO 0.46 -0.89 0.02 -3.38 0.04 0.00 0.00 177.00 173.24 1y9j s HIS 28 N 3.95 2.27 -0.25 0.56 -3.43 -1.26 -5.03 115.29 112.09 1y9j s HIS 28 Ca 0.82 -0.80 -0.29 0.00 -0.80 0.00 0.00 55.06 54.00 1y9j s HIS 28 Cb -0.40 -1.67 0.01 0.00 -1.43 0.00 0.00 32.58 29.09 1y9j s HIS 28 CO 0.37 0.32 1.03 0.08 -2.00 0.00 0.00 174.74 174.54 1y9j s VAL 29 N -2.83 4.66 -0.33 -5.38 1.01 -1.26 -5.01 120.40 111.26 1y9j s VAL 29 Ca 0.27 1.91 -0.19 0.00 0.00 0.00 0.00 61.98 63.97 1y9j s VAL 29 Cb 0.07 -4.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.13 1y9j s VAL 29 CO 0.14 -0.24 0.58 -0.54 0.00 0.00 0.00 175.10 175.03 1y9j s LYS 30 N 3.27 3.74 -0.18 2.72 1.02 -1.26 -4.91 119.74 124.14 1y9j s LYS 30 Ca 0.43 0.05 0.05 0.00 0.02 0.00 0.00 55.97 56.53 1y9j s LYS 30 Cb -0.14 -3.78 -0.22 0.00 -0.52 0.00 0.00 37.83 33.17 1y9j s LYS 30 CO 0.08 -0.63 0.13 -1.71 -0.92 0.00 0.00 175.35 172.30 1y9j n ASN 31 N 5.85 1.40 -4.81 2.83 2.85 -1.26 -4.94 115.26 117.20 1y9j n ASN 31 Ca -0.03 0.07 -0.35 0.00 -0.11 0.00 0.00 54.58 54.16 1y9j n ASN 31 Cb 0.49 -0.16 -0.07 0.00 1.24 0.00 0.00 39.78 41.28 1y9j n ASN 31 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1y9j s SER 32 N -6.36 5.88 0.10 1.20 0.01 -1.26 -5.09 113.70 108.19 1y9j s SER 32 Ca -0.22 0.27 -0.30 0.00 1.31 0.00 0.00 55.95 57.01 1y9j s SER 32 Cb 0.08 -1.78 -0.06 0.00 0.21 0.00 0.00 66.02 64.47 1y9j s SER 32 CO 0.73 0.34 1.08 -2.16 0.41 0.00 0.00 173.24 173.64 1y9j s PRO 33 N -1.35 4.56 -0.82 12.44 0.04 -1.26 -3.71 135.00 144.90 1y9j s PRO 33 Ca 0.19 1.63 -0.04 0.00 0.04 0.00 0.00 61.00 62.82 1y9j s PRO 33 Cb -0.12 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.08 1y9j s PRO 33 CO 0.09 -0.02 0.71 0.41 0.04 0.00 0.00 177.00 178.23 1y9j n GLY 34 N 2.58 -0.00 3.22 0.56 0.00 -1.26 -5.03 105.19 105.25 1y9j n GLY 34 Ca 0.05 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 1y9j n GLY 34 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1y9j s GLU 35 N -5.55 3.10 0.48 1.61 2.12 -1.24 -5.13 118.70 114.08 1y9j s GLU 35 Ca 0.27 -0.83 -0.07 0.00 0.36 0.00 0.00 54.97 54.70 1y9j s GLU 35 Cb -0.12 -2.46 0.11 0.00 0.26 0.00 0.00 34.13 31.92 1y9j s GLU 35 CO 0.46 0.05 0.24 -2.30 -0.54 0.00 0.00 175.26 173.17 1y9j n PRO 36 N 3.90 -1.47 -3.71 4.30 -0.02 -1.26 -4.95 135.00 131.79 1y9j n PRO 36 Ca -0.19 -0.40 -0.38 0.00 -2.02 0.00 0.00 63.50 60.50 1y9j n PRO 36 Cb 0.52 -0.66 -0.12 0.00 -0.02 0.00 0.00 33.50 33.22 1y9j n PRO 36 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1y9j s VAL 37 N -1.24 3.86 -0.27 -1.45 1.01 -1.26 -5.07 120.40 115.97 1y9j s VAL 37 Ca 0.18 -1.30 -0.17 0.00 0.00 0.00 0.00 61.98 60.69 1y9j s VAL 37 Cb -0.03 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 1y9j s VAL 37 CO 0.15 -0.32 0.47 0.26 0.00 0.00 0.00 175.10 175.66 1y9j s TRP 38 N 1.38 3.25 0.13 5.22 0.52 -1.26 -4.88 118.94 123.30 1y9j s TRP 38 Ca 0.01 0.50 0.08 0.00 0.02 0.00 0.00 56.10 56.71 1y9j s TRP 38 Cb -0.21 -2.70 -0.04 0.00 -1.15 0.00 0.00 33.47 29.37 1y9j s TRP 38 CO 0.02 -0.30 -0.13 -1.59 0.02 0.00 0.00 176.95 174.97 1y9j s LYS 39 N 2.24 1.97 0.33 4.98 -2.85 -0.81 -3.80 119.74 121.79 1y9j s LYS 39 Ca 0.19 -1.15 0.07 0.00 -1.00 0.00 0.00 55.97 54.07 1y9j s LYS 39 Cb -0.16 -2.19 -0.01 0.00 -2.06 0.00 0.00 37.83 33.41 1y9j s LYS 39 CO 0.10 0.48 0.44 0.08 0.10 0.00 0.00 175.35 176.55 1y9j s VAL 40 N -1.31 4.10 -0.02 1.79 1.01 0.32 -1.97 120.40 124.32 1y9j s VAL 40 Ca 0.21 -1.04 -0.02 0.00 0.00 0.00 0.00 61.98 61.13 1y9j s VAL 40 Cb -0.10 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.86 1y9j s VAL 40 CO 0.13 -0.17 0.05 -0.22 0.00 0.00 0.00 175.10 174.88 1y9j s LEU 41 N -4.14 1.81 -0.23 3.92 2.96 -0.73 0.18 118.68 122.46 1y9j s LEU 41 Ca 0.44 0.09 -0.01 0.00 -0.22 0.00 0.00 54.13 54.43 1y9j s LEU 41 Cb -0.09 0.18 0.06 0.00 0.50 0.00 0.00 46.19 46.84 1y9j s LEU 41 CO 0.30 -0.03 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.67 1y9j s ILE 42 N -0.01 1.10 0.21 6.68 -1.09 1.06 -2.88 121.20 126.26 1y9j s ILE 42 Ca -0.00 -0.99 0.09 0.00 -2.23 0.00 0.00 60.65 57.51 1y9j s ILE 42 Cb -0.01 -1.50 -0.04 0.00 -1.58 0.00 0.00 42.46 39.33 1y9j s ILE 42 CO 0.00 -0.19 -0.04 -0.72 -1.23 0.00 0.00 174.94 172.75 1y9j s TYR 43 N 1.59 2.70 0.04 3.97 -0.85 -1.14 -0.89 117.35 122.76 1y9j s TYR 43 Ca -0.03 -0.20 0.00 0.00 -0.52 0.00 0.00 57.07 56.33 1y9j s TYR 43 Cb -0.18 -1.28 0.00 0.00 0.38 0.00 0.00 41.96 40.89 1y9j s TYR 43 CO -0.08 0.55 0.03 -3.47 -1.52 0.00 0.00 175.55 171.06 1y9j n ASP 44 N -0.31 0.89 -0.30 -0.18 2.03 -1.25 -3.12 116.55 114.31 1y9j n ASP 44 Ca -0.09 -1.12 0.20 0.00 0.52 0.00 0.00 54.79 54.30 1y9j n ASP 44 Cb 0.57 -0.01 0.49 0.00 -0.72 0.00 0.00 41.12 41.45 1y9j n ASP 44 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 1y9j h ARG 45 N 0.00 0.42 0.02 -0.67 -0.00 -2.00 -0.43 114.38 111.73 1y9j h ARG 45 Ca -0.02 -0.03 -0.18 0.00 -0.00 0.00 0.00 59.98 59.75 1y9j h ARG 45 Cb 0.09 -0.10 -0.02 0.00 -0.00 0.00 0.00 29.97 29.94 1y9j h ARG 45 CO 0.03 0.28 -0.96 0.74 -0.00 0.00 0.00 179.97 180.07 1y9j h PHE 46 N 0.44 0.07 -1.49 4.08 -1.00 -1.95 -2.91 116.94 114.18 1y9j h PHE 46 Ca 0.55 -0.05 0.43 0.00 2.81 0.00 0.00 57.97 61.71 1y9j h PHE 46 Cb 1.32 -0.00 -0.06 0.00 3.61 0.00 0.00 35.95 40.82 1y9j h PHE 46 CO -0.00 1.37 1.06 0.78 -1.61 0.00 0.00 178.31 179.91 1y9j h GLY 47 N -0.81 0.09 0.97 -1.45 0.00 -1.53 1.31 103.07 101.65 1y9j h GLY 47 Ca -0.25 -0.01 -0.32 0.00 0.00 0.00 0.00 47.33 46.75 1y9j h GLY 47 CO -0.11 -0.02 -1.73 0.06 0.00 0.00 0.00 176.54 174.74 1y9j h GLN 48 N 0.01 0.20 0.00 4.80 3.07 -1.23 -1.86 115.11 120.10 1y9j h GLN 48 Ca 0.72 -0.34 0.00 0.00 0.09 0.00 0.00 58.65 59.12 1y9j h GLN 48 Cb 2.83 0.13 0.00 0.00 0.08 0.00 0.00 27.48 30.51 1y9j h GLN 48 CO -0.03 1.00 0.00 -3.47 0.09 0.00 0.00 178.83 176.42 1y9j n ASP 49 N -3.37 0.31 -0.01 0.06 -0.08 0.43 -1.55 116.55 112.35 1y9j n ASP 49 Ca -0.22 0.63 -0.01 0.00 -1.51 0.00 0.00 54.79 53.68 1y9j n ASP 49 Cb 1.05 -0.67 -0.01 0.00 2.34 0.00 0.00 41.12 43.82 1y9j n ASP 49 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1y9j n ILE 50 N -1.90 0.11 -0.07 5.18 -0.00 -0.16 -4.55 119.36 117.98 1y9j n ILE 50 Ca -0.00 -0.05 -0.15 0.00 -0.00 0.00 0.00 62.75 62.55 1y9j n ILE 50 Cb 0.05 -0.75 -0.06 0.00 -0.00 0.00 0.00 39.64 38.88 1y9j n ILE 50 CO 0.00 0.00 0.00 -0.29 -0.00 0.00 0.00 176.55 176.26 1y9j h ILE 51 N 0.00 1.32 0.70 1.39 2.10 -1.20 -3.29 117.51 118.52 1y9j h ILE 51 Ca -0.04 -1.63 -0.03 0.00 1.08 0.00 0.00 64.86 64.23 1y9j h ILE 51 Cb 1.08 1.80 0.00 0.00 -1.09 0.00 0.00 36.82 38.62 1y9j h ILE 51 CO -0.00 0.51 -0.35 -1.28 -1.08 0.00 0.00 178.15 175.95 1y9j h SER 52 N 0.38 -0.84 -0.55 2.19 0.87 -1.39 0.82 113.55 115.03 1y9j h SER 52 Ca 0.01 0.03 0.16 0.00 -1.23 0.00 0.00 61.79 60.76 1y9j h SER 52 Cb 1.02 0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 63.18 1y9j h SER 52 CO 0.09 -0.59 0.73 1.55 -0.53 0.00 0.00 176.83 178.09 1y9j h PRO 53 N -0.96 0.00 0.00 2.24 0.13 -1.77 0.39 132.00 132.04 1y9j h PRO 53 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1y9j h PRO 53 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1y9j h PRO 53 CO 0.14 0.00 -0.06 1.28 -0.23 0.00 0.00 178.00 179.13 1y9j n LEU 54 N -3.37 1.71 -3.50 1.56 4.77 -1.02 -5.06 117.00 112.08 1y9j n LEU 54 Ca 0.11 -2.14 -0.12 0.00 -0.03 0.00 0.00 56.01 53.83 1y9j n LEU 54 Cb 0.92 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.80 1y9j n LEU 54 CO 0.23 0.51 0.58 -0.22 -1.33 0.00 0.00 177.39 177.15 1y9j s LEU 55 N -1.58 -0.48 0.42 2.23 0.20 0.28 -5.03 118.68 114.72 1y9j s LEU 55 Ca 0.14 0.21 0.03 0.00 0.69 0.00 0.00 54.13 55.20 1y9j s LEU 55 Cb 0.12 2.25 -0.02 0.00 -0.43 0.00 0.00 46.19 48.11 1y9j s LEU 55 CO 0.01 -0.66 0.11 -0.55 -0.29 0.00 0.00 176.35 174.97 1y9j s SER 56 N -2.06 2.96 0.04 3.68 0.15 -1.26 -3.87 113.70 113.34 1y9j s SER 56 Ca -0.00 -1.66 -0.22 0.00 0.70 0.00 0.00 55.95 54.76 1y9j s SER 56 Cb -0.01 0.49 -0.14 0.00 -1.71 0.00 0.00 66.02 64.65 1y9j s SER 56 CO -0.04 -0.91 1.42 0.58 1.20 0.00 0.00 173.24 175.48 1y9j h VAL 57 N 1.74 1.29 -0.14 4.45 2.07 -1.98 -0.66 116.25 123.02 1y9j h VAL 57 Ca -0.37 -0.98 -0.10 0.00 0.82 0.00 0.00 66.70 66.08 1y9j h VAL 57 Cb 1.28 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.74 1y9j h VAL 57 CO 0.59 0.28 -0.34 0.07 0.02 0.00 0.00 177.57 178.19 1y9j h LYS 58 N -0.09 0.27 0.00 1.57 5.09 -2.00 -2.42 116.57 118.99 1y9j h LYS 58 Ca 0.03 -0.11 -0.14 0.00 0.09 0.00 0.00 60.65 60.52 1y9j h LYS 58 Cb 0.45 -0.01 -0.02 0.00 0.10 0.00 0.00 32.23 32.75 1y9j h LYS 58 CO 0.01 0.59 -0.66 0.93 -2.09 0.00 0.00 179.45 178.23 1y9j h GLU 59 N 0.24 0.00 0.06 0.07 5.08 -1.95 -1.92 114.58 116.15 1y9j h GLU 59 Ca 0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1y9j h GLU 59 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1y9j h GLU 59 CO 0.05 0.66 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.63 1y9j h LEU 60 N 0.00 -0.07 -0.69 1.33 3.38 -0.62 -1.42 115.31 117.22 1y9j h LEU 60 Ca -0.01 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1y9j h LEU 60 Cb 1.25 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 1y9j h LEU 60 CO 0.09 -0.05 -0.31 0.03 0.09 0.00 0.00 178.44 178.29 1y9j h ARG 61 N -0.09 0.00 0.00 1.13 3.08 -1.51 -2.82 114.38 114.18 1y9j h ARG 61 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1y9j h ARG 61 Cb 0.07 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 1y9j h ARG 61 CO 0.01 0.31 -0.01 -0.44 -1.07 0.00 0.00 179.97 178.77 1y9j h ASP 62 N 0.00 0.00 1.11 7.04 3.32 -0.90 -3.06 116.42 123.93 1y9j h ASP 62 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1y9j h ASP 62 Cb 0.97 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1y9j h ASP 62 CO 0.04 0.01 -0.88 0.24 -1.72 0.00 0.00 179.24 176.93 1y9j h MET 63 N 0.00 0.00 0.00 3.56 2.86 -1.14 -3.48 114.93 116.73 1y9j h MET 63 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1y9j h MET 63 Cb 0.74 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.40 1y9j h MET 63 CO 0.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 1y9j n GLY 64 N 1.17 1.29 3.67 8.32 0.00 -1.15 -4.90 105.19 113.58 1y9j n GLY 64 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1y9j n GLY 64 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1y9j s ILE 65 N -1.77 5.34 -0.58 -0.61 2.07 -1.07 -1.93 121.20 122.65 1y9j s ILE 65 Ca 0.00 0.25 0.24 0.00 -1.41 0.00 0.00 60.65 59.73 1y9j s ILE 65 Cb 0.00 -3.53 0.02 0.00 0.13 0.00 0.00 42.46 39.08 1y9j s ILE 65 CO 0.00 0.34 1.24 0.00 -1.91 0.00 0.00 174.94 174.62 1y9j h THR 66 N 4.99 0.00 -1.26 4.00 1.03 -1.70 -3.41 112.91 116.55 1y9j h THR 66 Ca -0.38 -0.56 0.15 0.00 -0.01 0.00 0.00 66.41 65.60 1y9j h THR 66 Cb 1.17 1.10 -0.31 0.00 -1.07 0.00 0.00 68.15 69.04 1y9j h THR 66 CO 0.67 0.00 0.70 -0.22 -0.01 0.00 0.00 175.52 176.66 1y9j s LEU 67 N -4.37 -0.21 -0.05 0.00 1.98 -1.26 -5.04 118.68 109.73 1y9j s LEU 67 Ca 0.05 0.39 -0.02 0.00 -2.89 0.00 0.00 54.13 51.65 1y9j s LEU 67 Cb 0.13 1.38 0.03 0.00 0.66 0.00 0.00 46.19 48.39 1y9j s LEU 67 CO 0.74 -0.07 0.06 -1.38 -1.89 0.00 0.00 176.35 173.82 1y9j s HIS 68 N 0.35 0.09 0.22 5.38 -3.43 -1.26 -1.77 115.29 114.86 1y9j s HIS 68 Ca 0.03 0.20 -0.06 0.00 -0.80 0.00 0.00 55.06 54.43 1y9j s HIS 68 Cb -0.04 -0.51 -0.03 0.00 -1.43 0.00 0.00 32.58 30.57 1y9j s HIS 68 CO -0.12 -0.22 0.27 -0.48 -2.00 0.00 0.00 174.74 172.19 1y9j s LEU 69 N 2.16 0.83 -0.04 5.38 -0.00 -1.14 -5.03 118.68 120.84 1y9j s LEU 69 Ca 0.05 -1.21 -0.22 0.00 -0.00 0.00 0.00 54.13 52.75 1y9j s LEU 69 Cb -0.12 0.92 -0.05 0.00 -0.00 0.00 0.00 46.19 46.95 1y9j s LEU 69 CO -0.04 -0.96 0.65 -0.76 -0.00 0.00 0.00 176.35 175.24 1y9j s LEU 70 N -3.11 4.36 0.59 1.48 1.43 -1.26 -2.90 118.68 119.28 1y9j s LEU 70 Ca 0.33 1.16 0.29 0.00 -1.03 0.00 0.00 54.13 54.88 1y9j s LEU 70 Cb 0.04 -3.00 1.40 0.00 0.03 0.00 0.00 46.19 44.67 1y9j s LEU 70 CO 0.11 -0.01 1.80 -0.07 0.23 0.00 0.00 176.35 178.41 1y9j h LEU 71 N 6.24 0.00 -3.64 1.79 4.07 -1.90 0.43 115.31 122.30 1y9j h LEU 71 Ca -0.43 0.00 -0.45 0.00 0.08 0.00 0.00 57.88 57.09 1y9j h LEU 71 Cb 1.20 0.00 -0.20 0.00 1.08 0.00 0.00 40.66 42.74 1y9j h LEU 71 CO 0.73 0.00 0.58 1.57 -1.08 0.00 0.00 178.44 180.24 1y9j n HIS 72 N -3.65 2.16 -3.91 1.13 -0.00 -1.26 -4.89 115.22 104.80 1y9j n HIS 72 Ca 0.11 -2.29 -0.08 0.00 0.46 0.00 0.00 57.72 55.92 1y9j n HIS 72 Cb 0.82 -1.11 -0.02 0.00 -0.12 0.00 0.00 29.99 29.56 1y9j n HIS 72 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1y9j n SER 73 N -0.16 -0.60 -4.56 0.26 2.88 0.15 -5.11 113.62 106.47 1y9j n SER 73 Ca 0.42 -2.01 -0.43 0.00 -1.33 0.00 0.00 58.87 55.53 1y9j n SER 73 Cb 0.66 1.17 -0.03 0.00 -0.75 0.00 0.00 64.21 65.26 1y9j n SER 73 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1y9j s ASP 74 N -2.13 6.45 0.16 -3.46 1.01 -1.26 -4.95 116.67 112.49 1y9j s ASP 74 Ca 0.16 0.01 -0.26 0.00 0.71 0.00 0.00 52.55 53.17 1y9j s ASP 74 Cb -0.00 -2.48 -0.08 0.00 1.01 0.00 0.00 42.92 41.37 1y9j s ASP 74 CO 0.12 -1.22 0.81 -0.13 0.21 0.00 0.00 175.17 174.95 1y9j s ARG 75 N 4.15 4.61 0.13 8.23 0.52 -1.26 -5.00 118.95 130.33 1y9j s ARG 75 Ca 0.38 1.21 -0.20 0.00 -0.52 0.00 0.00 55.73 56.59 1y9j s ARG 75 Cb -0.10 -3.28 -0.07 0.00 0.52 0.00 0.00 34.95 32.01 1y9j s ARG 75 CO 0.25 0.51 0.64 -0.51 0.02 0.00 0.00 175.30 176.20 1y9j s ASP 76 N -0.95 7.09 -0.47 0.23 1.01 -1.26 -5.03 116.67 117.29 1y9j s ASP 76 Ca 0.37 1.34 -0.28 0.00 0.71 0.00 0.00 52.55 54.69 1y9j s ASP 76 Cb -0.23 -2.39 0.03 0.00 1.01 0.00 0.00 42.92 41.34 1y9j s ASP 76 CO 0.27 0.19 1.06 -2.16 0.21 0.00 0.00 175.17 174.73 1y9j s PRO 77 N -1.43 3.64 -0.46 8.23 0.04 -1.26 -4.80 135.00 138.96 1y9j s PRO 77 Ca 0.34 0.40 0.03 0.00 0.04 0.00 0.00 61.00 61.82 1y9j s PRO 77 Cb -0.19 -3.92 0.16 0.00 0.04 0.00 0.00 34.50 30.59 1y9j s PRO 77 CO 0.21 -1.33 0.33 0.42 0.04 0.00 0.00 177.00 176.67 1y9j s ILE 78 N 4.20 1.00 -0.09 0.56 1.09 0.48 -4.94 121.20 123.50 1y9j s ILE 78 Ca 0.44 -2.80 0.30 0.00 -1.10 0.00 0.00 60.65 57.49 1y9j s ILE 78 Cb -0.08 -1.69 0.37 0.00 -1.06 0.00 0.00 42.46 40.01 1y9j s ILE 78 CO 0.30 -1.09 1.86 0.03 -0.10 0.00 0.00 174.94 175.94 1y9j h ARG 79 N 6.01 0.00 -0.85 2.79 3.08 -1.76 -3.01 114.38 120.65 1y9j h ARG 79 Ca 0.16 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.02 1y9j h ARG 79 Cb 0.89 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.83 1y9j h ARG 79 CO 0.44 0.00 0.25 -0.25 -1.07 0.00 0.00 179.97 179.34 1y9j n ASP 80 N -3.07 4.05 -3.71 7.04 8.00 -1.26 -3.61 116.55 123.99 1y9j n ASP 80 Ca 0.02 -2.95 -0.11 0.00 0.71 0.00 0.00 54.79 52.46 1y9j n ASP 80 Cb 0.38 -0.70 -0.12 0.00 -0.02 0.00 0.00 41.12 40.66 1y9j n ASP 80 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1y9j s VAL 81 N -2.38 -0.05 0.52 2.53 1.01 -1.14 -4.86 120.40 116.03 1y9j s VAL 81 Ca 0.41 0.12 -0.22 0.00 0.00 0.00 0.00 61.98 62.30 1y9j s VAL 81 Cb 0.33 -0.51 -0.06 0.00 0.00 0.00 0.00 36.38 36.15 1y9j s VAL 81 CO 0.10 0.05 1.27 -2.16 0.00 0.00 0.00 175.10 174.35 1y9j s PRO 82 N 1.38 3.36 0.26 2.72 0.04 -1.25 -2.42 135.00 139.09 1y9j s PRO 82 Ca -0.09 2.01 0.08 0.00 0.04 0.00 0.00 61.00 63.04 1y9j s PRO 82 Cb -0.09 -2.28 -0.05 0.00 0.04 0.00 0.00 34.50 32.11 1y9j s PRO 82 CO -0.11 -0.94 -0.11 0.00 0.04 0.00 0.00 177.00 175.88 1y9j s ALA 83 N -1.43 2.35 -0.03 8.56 0.00 -1.01 0.12 121.76 130.31 1y9j s ALA 83 Ca 0.69 -1.84 0.03 0.00 0.00 0.00 0.00 51.96 50.84 1y9j s ALA 83 Cb -0.35 0.02 0.00 0.00 0.00 0.00 0.00 23.12 22.80 1y9j s ALA 83 CO 0.41 0.03 -0.10 0.08 0.00 0.00 0.00 175.76 176.18 1y9j s VAL 84 N -2.90 0.91 -0.62 0.00 1.01 0.48 0.77 120.40 120.05 1y9j s VAL 84 Ca 0.28 -0.42 0.05 0.00 0.00 0.00 0.00 61.98 61.89 1y9j s VAL 84 Cb 0.01 -0.80 0.20 0.00 0.00 0.00 0.00 36.38 35.79 1y9j s VAL 84 CO 0.11 0.28 0.56 -1.22 0.00 0.00 0.00 175.10 174.83 1y9j n TYR 85 N 3.29 2.49 -2.74 5.22 4.02 0.38 0.35 117.16 130.16 1y9j n TYR 85 Ca -0.18 -4.06 -0.43 0.00 -0.01 0.00 0.00 57.90 53.22 1y9j n TYR 85 Cb 0.54 -0.46 -0.02 0.00 -0.02 0.00 0.00 39.34 39.37 1y9j n TYR 85 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 1y9j s PHE 86 N -1.57 2.86 0.29 -0.72 5.36 -0.07 -1.07 117.98 123.06 1y9j s PHE 86 Ca 0.32 -1.20 0.04 0.00 -0.96 0.00 0.00 56.93 55.13 1y9j s PHE 86 Cb 0.05 -4.50 -0.03 0.00 -0.34 0.00 0.00 43.02 38.20 1y9j s PHE 86 CO -0.12 -1.71 0.21 0.14 -1.46 0.00 0.00 175.22 172.28 1y9j s VAL 87 N 3.75 0.10 0.60 3.12 -7.23 0.24 -3.80 120.40 117.18 1y9j s VAL 87 Ca 0.40 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.40 1y9j s VAL 87 Cb -0.02 -2.50 -0.03 0.00 0.56 0.00 0.00 36.38 34.40 1y9j s VAL 87 CO -0.08 0.00 1.16 -0.04 -0.31 0.00 0.00 175.10 175.83 1y9j s MET 88 N -3.73 2.97 -0.49 4.82 -1.94 -1.26 -2.80 119.30 116.87 1y9j s MET 88 Ca 0.38 1.67 -0.02 0.00 -1.71 0.00 0.00 55.69 56.01 1y9j s MET 88 Cb 0.04 -1.95 0.23 0.00 2.01 0.00 0.00 34.83 35.17 1y9j s MET 88 CO 0.21 -1.17 2.24 -0.35 -0.01 0.00 0.00 175.02 175.94 1y9j n PRO 89 N -1.78 2.26 -3.51 2.03 -0.04 -1.26 -4.61 135.00 128.08 1y9j n PRO 89 Ca 0.12 -2.35 -0.23 0.00 -0.04 0.00 0.00 63.50 61.00 1y9j n PRO 89 Cb 0.51 -1.98 -0.01 0.00 -0.04 0.00 0.00 33.50 31.98 1y9j n PRO 89 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1y9j s THR 90 N -3.10 5.11 0.22 0.52 -4.23 -1.26 -4.86 115.64 108.05 1y9j s THR 90 Ca 0.48 -0.60 -0.14 0.00 -1.18 0.00 0.00 61.69 60.26 1y9j s THR 90 Cb 0.36 -3.85 0.27 0.00 1.34 0.00 0.00 72.50 70.62 1y9j s THR 90 CO -0.11 -0.50 1.60 -0.33 -0.54 0.00 0.00 174.62 174.74 1y9j h GLU 91 N 0.85 -0.03 -0.50 3.99 5.08 -1.98 0.46 114.58 122.44 1y9j h GLU 91 Ca -0.50 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 57.93 1y9j h GLU 91 Cb 1.22 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.42 1y9j h GLU 91 CO 0.61 -0.02 0.19 0.93 -1.00 0.00 0.00 179.01 179.72 1y9j h GLU 92 N -0.03 0.36 -0.35 2.33 5.08 -1.96 -0.56 114.58 119.45 1y9j h GLU 92 Ca 0.34 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 1y9j h GLU 92 Cb 0.55 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1y9j h GLU 92 CO -0.76 0.24 0.18 -0.91 -1.00 0.00 0.00 179.01 176.75 1y9j h ASN 93 N 0.37 0.45 -0.55 1.42 4.21 -0.88 -2.03 115.58 118.57 1y9j h ASN 93 Ca 0.24 -0.11 0.11 0.00 1.21 0.00 0.00 56.30 57.75 1y9j h ASN 93 Cb 0.25 -0.11 -0.03 0.00 -1.12 0.00 0.00 38.32 37.30 1y9j h ASN 93 CO -0.24 0.43 0.38 0.40 -1.29 0.00 0.00 177.43 177.11 1y9j h ILE 94 N 0.43 0.86 -0.01 2.81 1.08 0.56 0.16 117.51 123.40 1y9j h ILE 94 Ca 0.12 -0.10 -0.15 0.00 -0.39 0.00 0.00 64.86 64.35 1y9j h ILE 94 Cb 0.10 0.55 -0.02 0.00 -3.07 0.00 0.00 36.82 34.38 1y9j h ILE 94 CO -0.02 0.05 -0.67 -0.78 -0.69 0.00 0.00 178.15 176.04 1y9j h ASP 95 N 0.28 0.08 0.76 1.72 3.58 -0.44 -2.98 116.42 119.41 1y9j h ASP 95 Ca 0.26 -0.05 -0.16 0.00 0.42 0.00 0.00 57.03 57.50 1y9j h ASP 95 Cb 0.64 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.64 1y9j h ASP 95 CO -0.06 0.73 -0.75 0.03 -2.88 0.00 0.00 179.24 176.31 1y9j h ARG 96 N 0.05 0.00 -0.58 0.28 -0.00 -0.18 -1.78 114.38 112.17 1y9j h ARG 96 Ca -0.01 0.00 -0.08 0.00 -0.50 0.00 0.00 59.98 59.39 1y9j h ARG 96 Cb 1.19 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 31.14 1y9j h ARG 96 CO 0.09 0.75 0.03 -0.07 0.00 0.00 0.00 179.97 180.77 1y9j h LEU 97 N 0.00 0.97 -0.57 3.04 -0.00 -1.08 0.28 115.31 117.95 1y9j h LEU 97 Ca -0.01 -0.29 -0.06 0.00 -0.00 0.00 0.00 57.88 57.52 1y9j h LEU 97 Cb 1.33 -0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 41.72 1y9j h LEU 97 CO 0.10 1.02 -0.28 0.00 -0.00 0.00 0.00 178.44 179.28 1y9j h GLN 99 N 0.00 0.35 0.00 0.00 1.08 -0.79 -2.79 115.11 112.96 1y9j h GLN 99 Ca -0.00 -0.58 -0.15 0.00 -1.45 0.00 0.00 58.65 56.47 1y9j h GLN 99 Cb 1.00 0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 28.63 1y9j h GLN 99 CO 0.04 1.27 -0.71 0.38 -0.95 0.00 0.00 178.83 178.86 1y9j h ASP 100 N -0.26 0.00 0.64 1.46 3.04 -0.49 -2.43 116.42 118.39 1y9j h ASP 100 Ca -0.16 0.00 -0.16 0.00 -3.24 0.00 0.00 57.03 53.48 1y9j h ASP 100 Cb 1.71 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.98 1y9j h ASP 100 CO 0.17 0.71 -0.72 -0.07 -2.04 0.00 0.00 179.24 177.29 1y9j h LEU 101 N 0.00 0.09 0.21 0.15 3.38 -1.11 -2.57 115.31 115.46 1y9j h LEU 101 Ca -0.01 -0.06 -0.31 0.00 0.09 0.00 0.00 57.88 57.59 1y9j h LEU 101 Cb 1.49 -0.03 0.03 0.00 0.09 0.00 0.00 40.66 42.24 1y9j h LEU 101 CO 0.09 0.78 -1.44 0.03 0.09 0.00 0.00 178.44 177.99 1y9j h ARG 102 N 0.05 0.45 0.00 1.13 3.08 -1.51 -3.28 114.38 114.29 1y9j h ARG 102 Ca -0.01 -0.77 -0.02 0.00 0.07 0.00 0.00 59.98 59.25 1y9j h ARG 102 Cb 1.28 0.29 -0.00 0.00 0.08 0.00 0.00 29.97 31.61 1y9j h ARG 102 CO 0.10 1.37 -0.08 -0.91 -1.07 0.00 0.00 179.97 179.37 1y9j h ASN 103 N 0.02 0.00 -3.30 7.04 2.35 -1.48 -3.46 115.58 116.75 1y9j h ASN 103 Ca -0.27 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.13 1y9j h ASN 103 Cb 2.04 0.00 0.02 0.00 0.05 0.00 0.00 38.32 40.43 1y9j h ASN 103 CO 0.22 0.08 -0.49 0.00 -1.65 0.00 0.00 177.43 175.59 1y9j n GLN 104 N -3.42 -2.99 0.04 0.81 1.13 -0.97 -4.86 117.38 107.12 1y9j n GLN 104 Ca -0.01 0.82 0.19 0.00 -1.94 0.00 0.00 57.00 56.06 1y9j n GLN 104 Cb 0.24 -5.37 0.71 0.00 0.11 0.00 0.00 30.24 25.93 1y9j n GLN 104 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1y9j h LEU 105 N -0.67 0.00 -7.68 1.08 3.38 -1.89 -3.40 115.31 106.13 1y9j h LEU 105 Ca -0.44 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.33 1y9j h LEU 105 Cb 1.31 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.80 1y9j h LEU 105 CO 0.49 0.00 -0.62 -0.31 0.09 0.00 0.00 178.44 178.09 1y9j s TYR 106 N -4.94 -0.05 0.15 1.13 1.51 -1.25 0.18 117.35 114.08 1y9j s TYR 106 Ca -0.05 0.13 -0.17 0.00 -1.01 0.00 0.00 57.07 55.97 1y9j s TYR 106 Cb 0.19 0.01 0.06 0.00 -0.11 0.00 0.00 41.96 42.10 1y9j s TYR 106 CO 0.69 -0.07 1.71 1.49 -1.11 0.00 0.00 175.55 178.26 1y9j h GLU 107 N 5.77 0.11 -6.10 -0.62 4.22 -1.47 -3.44 114.58 113.05 1y9j h GLU 107 Ca -0.26 -0.01 -0.52 0.00 0.08 0.00 0.00 59.36 58.66 1y9j h GLU 107 Cb 1.20 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.39 1y9j h GLU 107 CO 0.45 0.07 -0.37 -1.54 -2.18 0.00 0.00 179.01 175.44 1y9j s SER 108 N -5.26 4.87 -0.44 1.04 1.04 -1.26 -4.05 113.70 109.64 1y9j s SER 108 Ca -0.13 -0.90 0.07 0.00 0.48 0.00 0.00 55.95 55.47 1y9j s SER 108 Cb 0.12 -0.33 0.24 0.00 0.10 0.00 0.00 66.02 66.16 1y9j s SER 108 CO 0.70 -0.75 0.70 -1.22 0.98 0.00 0.00 173.24 173.65 1y9j n TYR 109 N -1.57 -1.87 -1.62 5.02 4.02 -0.70 -2.41 117.16 118.03 1y9j n TYR 109 Ca 0.02 -2.65 -0.15 0.00 -0.01 0.00 0.00 57.90 55.12 1y9j n TYR 109 Cb 0.63 0.61 -0.07 0.00 -0.02 0.00 0.00 39.34 40.49 1y9j n TYR 109 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 1y9j s TYR 110 N -0.23 1.20 0.37 -0.72 6.14 0.23 -2.84 117.35 121.50 1y9j s TYR 110 Ca 0.33 1.88 -0.25 0.00 0.64 0.00 0.00 57.07 59.68 1y9j s TYR 110 Cb 0.20 -3.49 -0.09 0.00 0.42 0.00 0.00 41.96 39.00 1y9j s TYR 110 CO -0.18 -1.55 1.06 -0.51 0.64 0.00 0.00 175.55 175.01 1y9j s LEU 111 N 14.48 4.24 -0.21 6.97 1.43 0.33 0.14 118.68 146.07 1y9j s LEU 111 Ca 0.90 2.08 -0.05 0.00 -1.03 0.00 0.00 54.13 56.03 1y9j s LEU 111 Cb -0.12 -4.05 0.11 0.00 0.03 0.00 0.00 46.19 42.16 1y9j s LEU 111 CO 0.07 -0.39 0.39 0.21 0.23 0.00 0.00 176.35 176.86 1y9j s ASN 112 N -1.41 0.01 -0.26 2.29 3.04 -0.23 0.12 114.94 118.50 1y9j s ASN 112 Ca 0.54 0.63 -0.12 0.00 0.04 0.00 0.00 52.86 53.96 1y9j s ASN 112 Cb -0.24 1.19 -0.05 0.00 -1.54 0.00 0.00 41.25 40.61 1y9j s ASN 112 CO 0.31 -0.26 0.23 -0.36 -3.04 0.00 0.00 177.10 173.98 1y9j s PHE 113 N 2.57 3.26 0.16 0.43 0.08 -1.24 0.81 117.98 124.04 1y9j s PHE 113 Ca 0.05 0.23 -0.15 0.00 0.12 0.00 0.00 56.93 57.18 1y9j s PHE 113 Cb -0.13 -2.40 0.05 0.00 -0.57 0.00 0.00 43.02 39.97 1y9j s PHE 113 CO -0.14 -0.11 1.81 -0.84 -0.10 0.00 0.00 175.22 175.85 1y9j h ILE 114 N 5.26 1.07 -4.97 0.64 -2.65 -1.85 -3.37 117.51 111.64 1y9j h ILE 114 Ca -0.35 -0.19 -0.21 0.00 1.03 0.00 0.00 64.86 65.15 1y9j h ILE 114 Cb 1.18 0.47 0.00 0.00 -2.05 0.00 0.00 36.82 36.42 1y9j h ILE 114 CO 0.60 0.10 -0.05 -1.20 0.03 0.00 0.00 178.15 177.63 1y9j n SER 115 N -4.82 1.08 -4.72 2.16 7.64 -1.26 0.67 113.62 114.36 1y9j n SER 115 Ca 0.02 -1.66 -0.39 0.00 1.01 0.00 0.00 58.87 57.84 1y9j n SER 115 Cb 0.05 -0.13 -0.05 0.00 -1.01 0.00 0.00 64.21 63.07 1y9j n SER 115 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1y9j s ALA 116 N -2.29 3.39 0.25 -0.43 0.00 -1.26 -4.76 121.76 116.65 1y9j s ALA 116 Ca 0.21 0.03 0.06 0.00 0.00 0.00 0.00 51.96 52.27 1y9j s ALA 116 Cb -0.02 -2.85 -0.03 0.00 0.00 0.00 0.00 23.12 20.23 1y9j s ALA 116 CO 0.14 -0.04 0.28 -1.50 0.00 0.00 0.00 175.76 174.64 1y9j s ILE 117 N 0.63 4.80 0.25 0.00 2.07 -1.26 -4.93 121.20 122.76 1y9j s ILE 117 Ca 0.34 -1.20 0.06 0.00 -1.41 0.00 0.00 60.65 58.44 1y9j s ILE 117 Cb -0.17 -3.62 -0.03 0.00 0.13 0.00 0.00 42.46 38.77 1y9j s ILE 117 CO 0.16 -0.33 0.25 -0.44 -1.91 0.00 0.00 174.94 172.67 1y9j s SER 118 N -3.92 5.78 0.30 4.50 0.01 -1.26 -4.93 113.70 114.18 1y9j s SER 118 Ca 0.34 -0.15 0.05 0.00 1.31 0.00 0.00 55.95 57.50 1y9j s SER 118 Cb -0.08 -1.55 0.68 0.00 0.21 0.00 0.00 66.02 65.28 1y9j s SER 118 CO 0.27 -0.05 1.81 -0.09 0.41 0.00 0.00 173.24 175.59 1y9j h ARG 119 N 1.38 0.82 0.31 12.44 2.43 -2.00 0.65 114.38 130.41 1y9j h ARG 119 Ca -0.50 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 58.61 1y9j h ARG 119 Cb 1.24 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 1y9j h ARG 119 CO 0.61 0.54 -0.15 0.66 -1.51 0.00 0.00 179.97 180.12 1y9j h SER 120 N 0.84 -0.35 -0.41 -3.80 4.64 -1.99 0.15 113.55 112.63 1y9j h SER 120 Ca 0.53 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.75 1y9j h SER 120 Cb 0.73 0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.89 1y9j h SER 120 CO -0.31 -0.24 -0.15 0.11 -0.87 0.00 0.00 176.83 175.37 1y9j h LYS 121 N -0.42 0.88 0.21 4.77 1.57 -1.74 -2.88 116.57 118.97 1y9j h LYS 121 Ca -0.04 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.40 1y9j h LYS 121 Cb 0.32 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1y9j h LYS 121 CO 0.07 0.97 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.74 1y9j h LEU 122 N 0.78 -0.25 -1.77 2.94 3.38 0.50 -1.88 115.31 119.00 1y9j h LEU 122 Ca 0.12 0.01 0.17 0.00 0.09 0.00 0.00 57.88 58.27 1y9j h LEU 122 Cb 0.68 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 1y9j h LEU 122 CO 0.05 -0.18 0.49 -0.33 0.09 0.00 0.00 178.44 178.56 1y9j h GLU 123 N -0.29 0.22 0.05 1.13 5.08 -0.66 0.16 114.58 120.26 1y9j h GLU 123 Ca -0.03 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1y9j h GLU 123 Cb 0.23 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1y9j h GLU 123 CO 0.04 0.14 -0.02 0.22 -1.00 0.00 0.00 179.01 178.40 1y9j h ASP 124 N 0.22 -0.05 -0.31 1.42 1.82 -1.13 0.97 116.42 119.35 1y9j h ASP 124 Ca 0.34 -0.18 -0.08 0.00 -0.39 0.00 0.00 57.03 56.73 1y9j h ASP 124 Cb 1.03 0.01 -0.01 0.00 0.68 0.00 0.00 39.33 41.05 1y9j h ASP 124 CO -0.07 0.15 -0.11 0.40 -1.61 0.00 0.00 179.24 178.00 1y9j h ILE 125 N -0.25 1.29 -0.96 2.25 5.03 -0.72 0.97 117.51 125.11 1y9j h ILE 125 Ca -0.01 -1.18 0.06 0.00 -0.12 0.00 0.00 64.86 63.61 1y9j h ILE 125 Cb 0.23 1.40 -0.06 0.00 -3.03 0.00 0.00 36.82 35.35 1y9j h ILE 125 CO 0.01 0.38 0.62 0.00 -0.68 0.00 0.00 178.15 178.48 1y9j h ALA 126 N 0.78 1.32 0.00 1.87 0.00 -0.71 -0.88 119.26 121.64 1y9j h ALA 126 Ca 0.08 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.77 1y9j h ALA 126 Cb 0.61 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1y9j h ALA 126 CO 0.04 0.42 -0.93 -0.91 0.00 0.00 0.00 179.25 177.86 1y9j h ASN 127 N 1.14 0.00 -0.96 0.00 2.35 -0.60 -3.04 115.58 114.47 1y9j h ASN 127 Ca 0.41 0.00 0.27 0.00 -0.55 0.00 0.00 56.30 56.43 1y9j h ASN 127 Cb 0.13 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.46 1y9j h ASN 127 CO -0.16 0.93 0.68 0.00 -1.65 0.00 0.00 177.43 177.23 1y9j h ALA 128 N 1.07 2.75 0.13 -0.83 0.00 0.24 0.11 119.26 122.74 1y9j h ALA 128 Ca -0.01 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.57 1y9j h ALA 128 Cb 1.69 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.53 1y9j h ALA 128 CO 0.12 -1.04 -1.65 0.00 0.00 0.00 0.00 179.25 176.69 1y9j h ALA 129 N 1.54 0.24 -0.87 0.00 0.00 -1.47 -3.35 119.26 115.35 1y9j h ALA 129 Ca 0.47 -1.18 0.25 0.00 0.00 0.00 0.00 54.91 54.45 1y9j h ALA 129 Cb 1.71 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 20.01 1y9j h ALA 129 CO -0.06 1.00 0.75 -0.07 0.00 0.00 0.00 179.25 180.86 1y9j h LEU 130 N -0.13 0.00 -1.34 0.00 3.38 -0.87 2.32 115.31 118.67 1y9j h LEU 130 Ca -0.35 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.56 1y9j h LEU 130 Cb 1.90 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.64 1y9j h LEU 130 CO 0.09 0.00 -0.27 0.00 0.09 0.00 0.00 178.44 178.35 1y9j h ALA 131 N 1.32 1.45 -0.00 1.53 0.00 -1.55 -3.11 119.26 118.91 1y9j h ALA 131 Ca 0.41 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1y9j h ALA 131 Cb 1.90 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1y9j h ALA 131 CO -0.00 0.40 -0.00 0.00 0.00 0.00 0.00 179.25 179.64 1y9j n ALA 132 N -2.48 2.46 -3.66 0.00 0.00 0.30 -5.01 120.51 112.13 1y9j n ALA 132 Ca -0.02 -0.46 -0.25 0.00 0.00 0.00 0.00 53.44 52.71 1y9j n ALA 132 Cb 0.34 -0.01 0.07 0.00 0.00 0.00 0.00 19.45 19.85 1y9j n ALA 132 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1y9j n ASN 133 N -0.06 -5.87 -4.71 0.00 2.85 0.71 -4.95 115.26 103.21 1y9j n ASN 133 Ca 0.00 -0.59 -0.40 0.00 -0.11 0.00 0.00 54.58 53.48 1y9j n ASN 133 Cb 0.00 -4.81 -0.05 0.00 1.24 0.00 0.00 39.78 36.17 1y9j n ASN 133 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1y9j s ALA 134 N -3.32 3.35 -0.35 5.20 0.00 -1.05 -4.98 121.76 120.62 1y9j s ALA 134 Ca 0.58 0.11 -0.27 0.00 0.00 0.00 0.00 51.96 52.37 1y9j s ALA 134 Cb -0.26 -2.96 -0.06 0.00 0.00 0.00 0.00 23.12 19.84 1y9j s ALA 134 CO 0.75 -0.14 2.28 0.08 0.00 0.00 0.00 175.76 178.73 1y9j s VAL 135 N 0.88 3.03 0.30 0.00 1.01 -1.26 -4.76 120.40 119.60 1y9j s VAL 135 Ca 0.37 0.03 0.11 0.00 0.00 0.00 0.00 61.98 62.48 1y9j s VAL 135 Cb -0.18 -3.06 -0.05 0.00 0.00 0.00 0.00 36.38 33.10 1y9j s VAL 135 CO 0.17 -0.05 -0.10 0.42 0.00 0.00 0.00 175.10 175.55 1y9j s THR 136 N 9.95 2.70 -0.30 3.92 -4.23 -1.26 -1.72 115.64 124.69 1y9j s THR 136 Ca 0.98 -2.18 -0.10 0.00 -1.18 0.00 0.00 61.69 59.21 1y9j s THR 136 Cb -0.25 -2.57 0.15 0.00 1.34 0.00 0.00 72.50 71.17 1y9j s THR 136 CO 0.31 -0.33 0.71 0.00 -0.54 0.00 0.00 174.62 174.77 1y9j s GLN 137 N -3.60 0.52 -0.24 3.99 0.00 -1.13 -4.96 119.66 114.24 1y9j s GLN 137 Ca 0.32 1.24 -0.21 0.00 -0.00 0.00 0.00 55.36 56.70 1y9j s GLN 137 Cb -0.03 0.74 -0.02 0.00 0.00 0.00 0.00 33.01 33.70 1y9j s GLN 137 CO 0.17 -0.25 0.68 0.08 0.00 0.00 0.00 175.29 175.97 1y9j s VAL 138 N 2.82 4.96 0.90 3.63 1.01 -1.26 0.12 120.40 132.58 1y9j s VAL 138 Ca -0.01 1.25 -0.11 0.00 0.00 0.00 0.00 61.98 63.11 1y9j s VAL 138 Cb -0.11 -3.98 0.20 0.00 0.00 0.00 0.00 36.38 32.48 1y9j s VAL 138 CO -0.19 0.02 1.23 0.00 0.00 0.00 0.00 175.10 176.16 1y9j n ALA 139 N 5.64 -0.92 -1.15 5.51 0.00 0.33 -4.95 120.51 124.96 1y9j n ALA 139 Ca 0.01 -1.84 -0.30 0.00 0.00 0.00 0.00 53.44 51.31 1y9j n ALA 139 Cb 0.49 0.06 0.15 0.00 0.00 0.00 0.00 19.45 20.15 1y9j n ALA 139 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1y9j s LYS 140 N -5.66 0.99 -0.07 0.00 1.02 -1.26 -4.43 119.74 110.33 1y9j s LYS 140 Ca 0.73 0.80 0.01 0.00 0.02 0.00 0.00 55.97 57.53 1y9j s LYS 140 Cb -0.03 -1.78 -0.03 0.00 -0.52 0.00 0.00 37.83 35.47 1y9j s LYS 140 CO 0.50 -2.42 -0.07 0.08 -0.92 0.00 0.00 175.35 172.52 1y9j s VAL 141 N -2.90 3.66 -0.06 3.17 1.01 -1.26 -4.30 120.40 119.72 1y9j s VAL 141 Ca 0.64 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 62.10 1y9j s VAL 141 Cb -0.19 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 1y9j s VAL 141 CO 0.57 0.59 -0.07 2.22 0.00 0.00 0.00 175.10 178.42 1y9j n PHE 142 N 2.28 0.00 0.11 5.22 -1.74 -1.18 -4.64 117.46 117.50 1y9j n PHE 142 Ca -0.18 0.00 0.01 0.00 -0.56 0.00 0.00 57.45 56.72 1y9j n PHE 142 Cb 0.53 -0.22 0.06 0.00 1.52 0.00 0.00 39.48 41.37 1y9j n PHE 142 CO 0.00 0.00 0.00 -3.47 -0.56 0.00 0.00 176.76 172.73 1y9j n ASP 143 N -3.12 0.00 0.25 5.98 -0.08 0.21 -3.04 116.55 116.75 1y9j n ASP 143 Ca -0.12 0.27 0.18 0.00 -1.51 0.00 0.00 54.79 53.61 1y9j n ASP 143 Cb 0.59 -0.30 0.89 0.00 2.34 0.00 0.00 41.12 44.64 1y9j n ASP 143 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 1y9j h GLN 144 N 0.00 0.00 0.00 -0.67 4.15 -1.62 -2.95 115.11 114.02 1y9j h GLN 144 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 1y9j h GLN 144 Cb 0.02 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 1y9j h GLN 144 CO 0.00 0.00 -1.24 0.98 -1.93 0.00 0.00 178.83 176.64 1y9j n TYR 145 N -3.50 0.00 -4.71 3.99 4.19 -1.17 -4.87 117.16 111.09 1y9j n TYR 145 Ca 0.00 0.00 -0.31 0.00 3.31 0.00 0.00 57.90 60.90 1y9j n TYR 145 Cb 0.30 -0.16 -0.08 0.00 0.49 0.00 0.00 39.34 39.89 1y9j n TYR 145 CO 0.00 0.00 0.00 -0.48 0.91 0.00 0.00 176.86 177.29 1y9j s LEU 146 N -4.07 2.25 0.00 2.98 -0.00 -1.11 -5.23 118.68 113.50 1y9j s LEU 146 Ca -0.02 -1.65 0.00 0.00 -0.00 0.00 0.00 54.13 52.46 1y9j s LEU 146 Cb 0.01 -0.61 0.00 0.00 -0.00 0.00 0.00 46.19 45.59 1y9j s LEU 146 CO 0.15 -0.85 0.00 0.59 -0.00 0.00 0.00 176.35 176.24