#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 -0.20 0.58 0.00 0.02 -2.06 -2.05 113.55 109.85 1y9j h SER 9 Ca 0.00 -0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 60.73 1y9j h SER 9 Cb 0.00 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1y9j h SER 9 CO 0.00 0.09 -0.51 0.40 -1.14 0.00 0.00 176.83 175.68 1y9j h ILE 10 N -0.51 0.00 -1.00 3.27 5.03 -2.01 -1.47 117.51 120.83 1y9j h ILE 10 Ca -0.02 0.00 0.24 0.00 -0.12 0.00 0.00 64.86 64.96 1y9j h ILE 10 Cb 0.39 0.00 -0.09 0.00 -3.03 0.00 0.00 36.82 34.09 1y9j h ILE 10 CO 0.04 0.00 0.65 -0.09 -0.68 0.00 0.00 178.15 178.07 1y9j h ARG 11 N -1.07 0.43 -0.17 2.37 9.65 -1.99 0.87 114.38 124.47 1y9j h ARG 11 Ca -0.08 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.77 1y9j h ARG 11 Cb 0.90 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.38 1y9j h ARG 11 CO -0.02 0.28 0.09 0.93 2.80 0.00 0.00 179.97 184.06 1y9j h GLU 12 N 0.44 0.24 -0.27 0.20 5.08 -0.65 -2.40 114.58 117.22 1y9j h GLU 12 Ca 0.56 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.91 1y9j h GLU 12 Cb 1.35 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 1y9j h GLU 12 CO -0.28 0.26 0.18 0.07 -1.00 0.00 0.00 179.01 178.24 1y9j h ARG 13 N 0.16 0.30 -0.56 2.33 -0.00 0.16 -1.29 114.38 115.49 1y9j h ARG 13 Ca 0.06 -0.02 0.07 0.00 -0.00 0.00 0.00 59.98 60.09 1y9j h ARG 13 Cb 0.09 -0.07 -0.06 0.00 -0.00 0.00 0.00 29.97 29.94 1y9j h ARG 13 CO -0.01 0.20 0.25 1.96 -0.00 0.00 0.00 179.97 182.37 1y9j h GLN 14 N 0.31 0.46 0.00 0.08 4.20 -0.86 -1.03 115.11 118.27 1y9j h GLN 14 Ca 0.11 -0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.66 1y9j h GLN 14 Cb 0.05 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1y9j h GLN 14 CO -0.02 0.31 -0.59 1.79 -0.67 0.00 0.00 178.83 179.65 1y9j h THR 15 N 0.48 1.26 -0.19 -0.54 1.35 -1.17 -3.10 112.91 110.99 1y9j h THR 15 Ca 0.26 -2.12 0.04 0.00 -0.55 0.00 0.00 66.41 64.04 1y9j h THR 15 Cb 0.24 2.20 -0.07 0.00 -1.73 0.00 0.00 68.15 68.78 1y9j h THR 15 CO -0.22 0.57 -0.48 0.58 -0.25 0.00 0.00 175.52 175.72 1y9j h VAL 16 N 0.00 0.07 0.57 6.82 2.07 -0.12 1.16 116.25 126.82 1y9j h VAL 16 Ca -0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1y9j h VAL 16 Cb 1.15 0.07 0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1y9j h VAL 16 CO 0.08 0.00 -0.27 0.00 0.02 0.00 0.00 177.57 177.39 1y9j h ALA 17 N -0.03 -0.77 -0.07 1.67 0.00 -1.60 -2.55 119.26 115.92 1y9j h ALA 17 Ca 0.07 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1y9j h ALA 17 Cb 0.65 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1y9j h ALA 17 CO -0.46 -0.91 -0.17 -0.07 0.00 0.00 0.00 179.25 177.65 1y9j h LEU 18 N -0.81 -0.54 -1.90 0.00 3.38 -1.35 0.68 115.31 114.77 1y9j h LEU 18 Ca -0.08 0.07 0.41 0.00 0.09 0.00 0.00 57.88 58.37 1y9j h LEU 18 Cb 0.61 0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.50 1y9j h LEU 18 CO 0.13 -0.14 1.00 0.11 0.09 0.00 0.00 178.44 179.63 1y9j h LYS 19 N -0.16 0.04 0.07 1.13 1.57 0.13 0.68 116.57 120.03 1y9j h LYS 19 Ca 0.01 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1y9j h LYS 19 Cb 0.20 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1y9j h LYS 19 CO -0.15 0.02 -0.03 -0.09 -0.57 0.00 0.00 179.45 178.63 1y9j h ARG 20 N 0.04 -0.09 0.00 3.15 2.43 -0.55 -1.74 114.38 117.61 1y9j h ARG 20 Ca 0.70 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.87 1y9j h ARG 20 Cb 2.66 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 32.23 1y9j h ARG 20 CO -0.07 0.03 0.00 0.00 -1.51 0.00 0.00 179.97 178.42 1y9j n MET 21 N -4.83 0.04 -0.08 0.20 0.00 0.22 -1.30 117.12 111.37 1y9j n MET 21 Ca -0.02 0.31 -0.12 0.00 0.00 0.00 0.00 57.70 57.86 1y9j n MET 21 Cb 0.08 -1.50 -0.04 0.00 0.00 0.00 0.00 33.22 31.76 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 -1.42 1.75 -1.01 3.17 4.77 0.22 -4.79 117.00 119.70 1y9j n LEU 22 Ca 0.03 0.29 -0.01 0.00 -0.03 0.00 0.00 56.01 56.29 1y9j n LEU 22 Cb 0.08 -0.67 0.21 0.00 -2.33 0.00 0.00 43.42 40.70 1y9j n LEU 22 CO 0.07 -0.12 0.65 -0.46 -1.33 0.00 0.00 177.39 176.20 1y9j n ASN 23 N -4.22 2.56 -3.96 -1.43 0.23 -0.65 -4.71 115.26 103.07 1y9j n ASN 23 Ca -0.21 -3.66 -0.31 0.00 -0.53 0.00 0.00 54.58 49.87 1y9j n ASN 23 Cb 0.54 -0.60 -0.15 0.00 -2.08 0.00 0.00 39.78 37.49 1y9j n ASN 23 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 1y9j s PHE 24 N -3.17 3.12 -0.12 -2.53 5.36 -0.42 -4.95 117.98 115.27 1y9j s PHE 24 Ca 0.43 -2.50 -0.31 0.00 -0.96 0.00 0.00 56.93 53.59 1y9j s PHE 24 Cb 0.39 -2.38 -0.09 0.00 -0.34 0.00 0.00 43.02 40.60 1y9j s PHE 24 CO 0.00 -0.90 2.06 0.27 -1.46 0.00 0.00 175.22 175.19 1y9j n ASN 25 N 4.45 3.47 -4.78 6.13 6.94 -1.26 -4.79 115.26 125.41 1y9j n ASN 25 Ca -0.02 0.64 -0.34 0.00 -0.02 0.00 0.00 54.58 54.84 1y9j n ASN 25 Cb 0.42 -1.47 -0.01 0.00 -2.36 0.00 0.00 39.78 36.37 1y9j n ASN 25 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1y9j s VAL 26 N 5.93 3.45 -0.84 3.53 -7.23 -1.26 -4.85 120.40 119.13 1y9j s VAL 26 Ca 0.96 0.86 -0.21 0.00 -1.81 0.00 0.00 61.98 61.79 1y9j s VAL 26 Cb -0.52 -3.34 -0.20 0.00 0.56 0.00 0.00 36.38 32.88 1y9j s VAL 26 CO 0.43 -0.23 2.35 -2.65 -0.31 0.00 0.00 175.10 174.69 1y9j n PRO 27 N -1.34 0.39 -4.60 4.82 -0.02 -1.26 -4.88 135.00 128.11 1y9j n PRO 27 Ca 0.10 -0.44 -0.27 0.00 -2.02 0.00 0.00 63.50 60.87 1y9j n PRO 27 Cb 0.52 -2.66 -0.11 0.00 -0.02 0.00 0.00 33.50 31.23 1y9j n PRO 27 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1y9j s HIS 28 N 9.41 2.44 -0.37 6.00 3.76 -1.26 -5.09 115.29 130.18 1y9j s HIS 28 Ca 1.09 -0.71 -0.29 0.00 -0.15 0.00 0.00 55.06 55.00 1y9j s HIS 28 Cb -0.44 -1.71 0.00 0.00 1.11 0.00 0.00 32.58 31.54 1y9j s HIS 28 CO 0.28 0.39 1.47 0.08 -0.85 0.00 0.00 174.74 176.11 1y9j s VAL 29 N -2.79 3.85 -0.28 -0.90 1.01 -1.26 -4.99 120.40 115.04 1y9j s VAL 29 Ca 0.35 0.89 -0.10 0.00 0.00 0.00 0.00 61.98 63.12 1y9j s VAL 29 Cb 0.10 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 1y9j s VAL 29 CO 0.18 -0.64 0.15 -0.54 0.00 0.00 0.00 175.10 174.25 1y9j s LYS 30 N 4.93 3.70 -0.04 2.72 1.02 -1.26 -5.00 119.74 125.81 1y9j s LYS 30 Ca 0.64 -0.47 -0.07 0.00 0.02 0.00 0.00 55.97 56.09 1y9j s LYS 30 Cb -0.16 -3.55 -0.04 0.00 -0.52 0.00 0.00 37.83 33.55 1y9j s LYS 30 CO 0.31 -0.25 0.36 -0.97 -0.92 0.00 0.00 175.35 173.89 1y9j h ASN 31 N 8.34 -0.22 -3.78 2.83 -1.24 -2.00 -3.44 115.58 116.07 1y9j h ASN 31 Ca -0.35 0.01 -0.65 0.00 0.71 0.00 0.00 56.30 56.01 1y9j h ASN 31 Cb 1.17 0.06 -0.38 0.00 0.73 0.00 0.00 38.32 39.90 1y9j h ASN 31 CO 0.58 0.12 -0.79 -0.55 -1.29 0.00 0.00 177.43 175.50 1y9j s SER 32 N -4.50 4.31 1.00 1.15 0.15 -1.26 -5.12 113.70 109.43 1y9j s SER 32 Ca -0.04 -1.41 -0.15 0.00 0.70 0.00 0.00 55.95 55.06 1y9j s SER 32 Cb 0.00 -1.45 0.04 0.00 -1.71 0.00 0.00 66.02 62.90 1y9j s SER 32 CO 0.11 -0.22 0.21 -2.65 1.20 0.00 0.00 173.24 171.89 1y9j n PRO 33 N 4.48 -0.61 0.00 5.44 -0.02 -1.26 -3.47 135.00 139.56 1y9j n PRO 33 Ca -0.12 -0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.22 1y9j n PRO 33 Cb 0.43 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 1y9j n PRO 33 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1y9j n GLY 34 N 1.77 2.90 3.67 -1.23 0.00 -1.26 -5.02 105.19 106.01 1y9j n GLY 34 Ca 0.05 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 1y9j n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1y9j s GLU 35 N 0.00 4.27 1.00 1.61 2.02 -1.23 -5.00 118.70 121.37 1y9j s GLU 35 Ca 0.00 1.63 -0.15 0.00 0.02 0.00 0.00 54.97 56.47 1y9j s GLU 35 Cb 0.00 -3.69 0.05 0.00 0.10 0.00 0.00 34.13 30.58 1y9j s GLU 35 CO 0.00 -0.62 0.23 -2.30 0.02 0.00 0.00 175.26 172.59 1y9j n PRO 36 N 6.17 -0.64 -3.64 0.39 -0.02 -1.26 -4.96 135.00 131.04 1y9j n PRO 36 Ca 0.13 -0.15 -0.39 0.00 -2.02 0.00 0.00 63.50 61.06 1y9j n PRO 36 Cb 0.45 -1.77 -0.10 0.00 -0.02 0.00 0.00 33.50 32.07 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 -2.33 3.87 -0.02 -1.45 1.01 -1.26 -5.07 120.40 115.14 1y9j s VAL 37 Ca 0.56 -1.92 -0.28 0.00 0.00 0.00 0.00 61.98 60.34 1y9j s VAL 37 Cb -0.18 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 1y9j s VAL 37 CO 0.68 -0.75 0.92 0.26 0.00 0.00 0.00 175.10 176.20 1y9j s TRP 38 N 1.24 3.63 0.14 5.22 0.52 -1.26 -4.82 118.94 123.62 1y9j s TRP 38 Ca 0.07 1.59 0.03 0.00 0.02 0.00 0.00 56.10 57.81 1y9j s TRP 38 Cb -0.25 -3.05 -0.04 0.00 -1.15 0.00 0.00 33.47 28.98 1y9j s TRP 38 CO -0.02 0.00 -0.06 -1.59 0.02 0.00 0.00 176.95 175.29 1y9j s LYS 39 N 1.02 1.00 0.28 4.98 -2.85 -0.78 -4.06 119.74 119.32 1y9j s LYS 39 Ca 0.48 -1.43 0.07 0.00 -1.00 0.00 0.00 55.97 54.09 1y9j s LYS 39 Cb -0.20 -0.40 -0.03 0.00 -2.06 0.00 0.00 37.83 35.14 1y9j s LYS 39 CO 0.25 -0.01 0.24 0.08 0.10 0.00 0.00 175.35 176.02 1y9j s VAL 40 N -3.50 4.15 -0.00 1.79 1.01 0.34 0.46 120.40 124.64 1y9j s VAL 40 Ca 0.17 -1.37 0.01 0.00 0.00 0.00 0.00 61.98 60.79 1y9j s VAL 40 Cb 0.04 -3.34 -0.00 0.00 0.00 0.00 0.00 36.38 33.08 1y9j s VAL 40 CO -0.00 -0.28 -0.03 -0.22 0.00 0.00 0.00 175.10 174.56 1y9j s LEU 41 N -3.91 2.00 -0.25 3.92 2.96 0.13 0.14 118.68 123.67 1y9j s LEU 41 Ca 0.36 -0.06 -0.02 0.00 -0.22 0.00 0.00 54.13 54.19 1y9j s LEU 41 Cb -0.07 -0.17 0.08 0.00 0.50 0.00 0.00 46.19 46.53 1y9j s LEU 41 CO 0.26 0.04 0.07 -0.63 -1.32 0.00 0.00 176.35 174.76 1y9j s ILE 42 N -0.07 0.61 0.30 6.68 -1.09 1.20 -2.30 121.20 126.53 1y9j s ILE 42 Ca 0.01 -0.91 0.09 0.00 -2.23 0.00 0.00 60.65 57.61 1y9j s ILE 42 Cb -0.01 -1.28 -0.05 0.00 -1.58 0.00 0.00 42.46 39.54 1y9j s ILE 42 CO -0.00 -0.44 0.03 -0.72 -1.23 0.00 0.00 174.94 172.57 1y9j s TYR 43 N 1.79 2.65 0.00 3.97 -0.85 -1.13 -0.05 117.35 123.73 1y9j s TYR 43 Ca 0.04 -0.31 0.00 0.00 -0.52 0.00 0.00 57.07 56.28 1y9j s TYR 43 Cb -0.17 -1.35 0.00 0.00 0.38 0.00 0.00 41.96 40.82 1y9j s TYR 43 CO -0.18 0.53 0.00 -3.47 -1.52 0.00 0.00 175.55 170.91 1y9j n ASP 44 N -0.96 1.22 -0.31 -0.18 -0.08 -1.24 -3.11 116.55 111.90 1y9j n ASP 44 Ca -0.05 -0.93 0.15 0.00 -1.51 0.00 0.00 54.79 52.45 1y9j n ASP 44 Cb 0.60 0.00 0.39 0.00 2.34 0.00 0.00 41.12 44.45 1y9j n ASP 44 CO 0.00 0.00 0.00 0.08 0.12 0.00 0.00 177.20 177.40 1y9j h ARG 45 N 0.00 0.62 0.13 -0.67 -0.00 -1.99 0.10 114.38 112.58 1y9j h ARG 45 Ca 0.00 -0.04 -0.18 0.00 -0.00 0.00 0.00 59.98 59.76 1y9j h ARG 45 Cb 0.00 -0.14 0.02 0.00 -0.00 0.00 0.00 29.97 29.85 1y9j h ARG 45 CO 0.00 0.41 -0.80 0.74 -0.00 0.00 0.00 179.97 180.32 1y9j h PHE 46 N 0.64 0.50 -0.75 4.08 -1.00 -1.94 -2.60 116.94 115.86 1y9j h PHE 46 Ca 0.53 -0.36 0.16 0.00 2.81 0.00 0.00 57.97 61.11 1y9j h PHE 46 Cb 0.98 -0.02 -0.11 0.00 3.61 0.00 0.00 35.95 40.41 1y9j h PHE 46 CO -0.00 1.31 0.22 0.78 -1.61 0.00 0.00 178.31 179.01 1y9j h GLY 47 N -0.39 1.10 2.00 -1.45 0.00 -1.38 0.60 103.07 103.55 1y9j h GLY 47 Ca -0.14 -0.07 -0.11 0.00 0.00 0.00 0.00 47.33 47.01 1y9j h GLY 47 CO 0.13 -0.18 -0.51 0.06 0.00 0.00 0.00 176.54 176.04 1y9j h GLN 48 N 0.32 0.00 0.00 4.80 3.07 -0.95 0.17 115.11 122.51 1y9j h GLN 48 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.17 1y9j h GLN 48 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.28 1y9j h GLN 48 CO -0.49 0.51 0.00 -3.47 0.09 0.00 0.00 178.83 175.47 1y9j n ASP 49 N -3.61 0.17 0.00 0.06 -0.08 0.20 -2.65 116.55 110.64 1y9j n ASP 49 Ca -0.00 0.55 0.00 0.00 -1.51 0.00 0.00 54.79 53.83 1y9j n ASP 49 Cb 0.59 -0.58 0.00 0.00 2.34 0.00 0.00 41.12 43.47 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 -1.69 0.00 -0.06 5.18 5.41 -0.62 -4.62 119.36 122.96 1y9j n ILE 50 Ca 0.02 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.67 1y9j n ILE 50 Cb 0.14 -0.46 -0.03 0.00 -0.71 0.00 0.00 39.64 38.57 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 1.11 0.79 1.39 2.10 -0.72 -3.08 117.51 119.10 1y9j h ILE 51 Ca 0.00 -0.29 -0.04 0.00 1.08 0.00 0.00 64.86 65.61 1y9j h ILE 51 Cb 0.88 0.89 0.01 0.00 -1.09 0.00 0.00 36.82 37.51 1y9j h ILE 51 CO 0.00 0.11 -0.38 -1.28 -1.08 0.00 0.00 178.15 175.52 1y9j h SER 52 N 0.26 -0.90 -0.45 2.19 0.87 -1.62 1.04 113.55 114.94 1y9j h SER 52 Ca 0.08 0.02 0.13 0.00 -1.23 0.00 0.00 61.79 60.80 1y9j h SER 52 Cb 0.06 0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 1y9j h SER 52 CO -0.01 -0.62 0.71 1.55 -0.53 0.00 0.00 176.83 177.92 1y9j h PRO 53 N -1.10 0.00 0.00 2.24 0.13 -1.77 0.27 132.00 131.76 1y9j h PRO 53 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1y9j h PRO 53 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1y9j h PRO 53 CO 0.18 0.00 -0.07 1.28 -0.23 0.00 0.00 178.00 179.16 1y9j n LEU 54 N -3.26 1.47 -3.47 1.56 4.77 -1.07 -5.07 117.00 111.94 1y9j n LEU 54 Ca 0.09 -1.83 -0.10 0.00 -0.03 0.00 0.00 56.01 54.13 1y9j n LEU 54 Cb 0.88 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.82 1y9j n LEU 54 CO 0.20 0.44 0.51 -0.22 -1.33 0.00 0.00 177.39 176.99 1y9j s LEU 55 N -1.25 -0.48 0.37 2.23 0.20 0.36 -5.02 118.68 115.09 1y9j s LEU 55 Ca 0.10 -0.03 0.04 0.00 0.69 0.00 0.00 54.13 54.92 1y9j s LEU 55 Cb 0.08 2.40 -0.04 0.00 -0.43 0.00 0.00 46.19 48.21 1y9j s LEU 55 CO 0.01 -0.86 0.12 -0.44 -0.29 0.00 0.00 176.35 174.88 1y9j s SER 56 N -2.67 2.44 0.02 3.68 0.01 -1.26 -3.91 113.70 112.02 1y9j s SER 56 Ca 0.03 -1.58 -0.23 0.00 1.31 0.00 0.00 55.95 55.48 1y9j s SER 56 Cb -0.01 0.34 -0.16 0.00 0.21 0.00 0.00 66.02 66.39 1y9j s SER 56 CO -0.11 -0.84 1.40 0.58 0.41 0.00 0.00 173.24 174.68 1y9j h VAL 57 N 1.95 1.30 -0.28 3.43 2.07 -1.98 -0.96 116.25 121.79 1y9j h VAL 57 Ca -0.36 -0.96 -0.07 0.00 0.82 0.00 0.00 66.70 66.12 1y9j h VAL 57 Cb 1.26 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 32.81 1y9j h VAL 57 CO 0.59 0.27 -0.14 0.11 0.02 0.00 0.00 177.57 178.42 1y9j h LYS 58 N -0.20 0.48 0.00 1.57 1.57 -1.99 -2.11 116.57 115.88 1y9j h LYS 58 Ca 0.02 -0.14 -0.13 0.00 -1.87 0.00 0.00 60.65 58.52 1y9j h LYS 58 Cb 0.43 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1y9j h LYS 58 CO 0.01 0.62 -0.63 0.93 -0.57 0.00 0.00 179.45 179.80 1y9j h GLU 59 N 0.44 0.00 0.40 3.15 4.39 -1.95 -0.62 114.58 120.39 1y9j h GLU 59 Ca 0.08 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 1y9j h GLU 59 Cb 0.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1y9j h GLU 59 CO 0.03 0.63 -0.19 -0.07 -1.16 0.00 0.00 179.01 178.25 1y9j h LEU 60 N 0.00 -0.46 -1.01 1.33 3.38 -0.50 0.32 115.31 118.38 1y9j h LEU 60 Ca -0.01 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1y9j h LEU 60 Cb 1.12 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 1y9j h LEU 60 CO 0.08 -0.32 -0.31 0.03 0.09 0.00 0.00 178.44 178.01 1y9j h ARG 61 N -0.55 0.00 0.00 1.13 2.47 -1.45 -2.33 114.38 113.65 1y9j h ARG 61 Ca -0.06 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.63 1y9j h ARG 61 Cb 0.42 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.73 1y9j h ARG 61 CO 0.09 0.31 -0.18 -0.44 0.56 0.00 0.00 179.97 180.31 1y9j h ASP 62 N 0.00 0.00 1.71 7.04 3.32 -0.72 -3.18 116.42 124.59 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 0.83 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.38 1y9j h ASP 62 CO 0.04 0.18 -0.29 0.24 -1.72 0.00 0.00 179.24 177.69 1y9j h MET 63 N 0.00 0.00 0.00 3.56 2.86 -0.11 -3.47 114.93 117.77 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 1.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.76 1y9j h MET 63 CO 0.02 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.41 1y9j n GLY 64 N 1.12 1.68 3.69 8.32 0.00 -1.18 -4.65 105.19 114.17 1y9j n GLY 64 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.97 5.31 -0.41 -0.61 2.07 -0.90 -1.87 121.20 122.83 1y9j s ILE 65 Ca 0.00 0.41 0.23 0.00 -1.41 0.00 0.00 60.65 59.88 1y9j s ILE 65 Cb 0.00 -3.59 0.13 0.00 0.13 0.00 0.00 42.46 39.13 1y9j s ILE 65 CO 0.00 0.34 1.32 0.00 -1.91 0.00 0.00 174.94 174.69 1y9j h THR 66 N 4.90 0.00 -1.12 4.00 1.03 -0.31 -3.41 112.91 117.99 1y9j h THR 66 Ca -0.39 -0.87 0.18 0.00 -0.01 0.00 0.00 66.41 65.32 1y9j h THR 66 Cb 1.16 1.57 -0.32 0.00 -1.07 0.00 0.00 68.15 69.49 1y9j h THR 66 CO 0.71 0.00 0.84 -0.22 -0.01 0.00 0.00 175.52 176.84 1y9j s LEU 67 N -5.36 -0.09 -0.02 0.00 1.98 -1.25 -5.00 118.68 108.94 1y9j s LEU 67 Ca 0.04 0.18 0.00 0.00 -2.89 0.00 0.00 54.13 51.46 1y9j s LEU 67 Cb 0.09 1.18 0.03 0.00 0.66 0.00 0.00 46.19 48.15 1y9j s LEU 67 CO 0.73 -0.03 0.02 -1.38 -1.89 0.00 0.00 176.35 173.80 1y9j s HIS 68 N 0.06 0.11 0.21 5.38 -3.43 -1.26 -0.70 115.29 115.66 1y9j s HIS 68 Ca 0.07 0.09 -0.23 0.00 -0.80 0.00 0.00 55.06 54.19 1y9j s HIS 68 Cb -0.05 -0.28 0.04 0.00 -1.43 0.00 0.00 32.58 30.87 1y9j s HIS 68 CO -0.15 -0.10 0.74 -0.48 -2.00 0.00 0.00 174.74 172.75 1y9j s LEU 69 N 1.02 -0.33 0.01 5.38 -0.00 -0.97 -5.00 118.68 118.78 1y9j s LEU 69 Ca -0.09 -0.39 -0.30 0.00 -0.00 0.00 0.00 54.13 53.35 1y9j s LEU 69 Cb -0.13 2.57 -0.03 0.00 -0.00 0.00 0.00 46.19 48.60 1y9j s LEU 69 CO -0.03 -1.15 0.98 -0.76 -0.00 0.00 0.00 176.35 175.40 1y9j s LEU 70 N -2.86 4.39 0.58 1.48 1.43 -1.26 -2.85 118.68 119.59 1y9j s LEU 70 Ca 0.08 1.67 0.28 0.00 -1.03 0.00 0.00 54.13 55.14 1y9j s LEU 70 Cb -0.04 -3.57 1.54 0.00 0.03 0.00 0.00 46.19 44.15 1y9j s LEU 70 CO 0.00 -0.23 2.00 -0.07 0.23 0.00 0.00 176.35 178.28 1y9j h LEU 71 N 6.64 0.00 -3.37 1.79 4.07 -1.88 -0.39 115.31 122.17 1y9j h LEU 71 Ca -0.41 0.00 -0.27 0.00 0.08 0.00 0.00 57.88 57.28 1y9j h LEU 71 Cb 1.22 0.00 -0.11 0.00 1.08 0.00 0.00 40.66 42.84 1y9j h LEU 71 CO 0.75 0.00 0.34 1.57 -1.08 0.00 0.00 178.44 180.02 1y9j n HIS 72 N -3.85 1.28 -3.95 1.13 -0.00 -1.26 -4.86 115.22 103.70 1y9j n HIS 72 Ca 0.06 -1.77 -0.10 0.00 0.46 0.00 0.00 57.72 56.36 1y9j n HIS 72 Cb 0.51 -0.86 -0.02 0.00 -0.12 0.00 0.00 29.99 29.49 1y9j n HIS 72 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 1y9j s SER 73 N 0.47 0.19 -0.29 0.26 1.04 -0.16 -5.11 113.70 110.11 1y9j s SER 73 Ca 0.26 -1.10 -0.29 0.00 0.48 0.00 0.00 55.95 55.30 1y9j s SER 73 Cb 0.20 0.70 -0.02 0.00 0.10 0.00 0.00 66.02 67.00 1y9j s SER 73 CO -0.00 -1.37 1.74 -1.81 0.98 0.00 0.00 173.24 172.78 1y9j s ASP 74 N -3.08 6.06 0.42 7.02 1.01 -1.26 -4.94 116.67 121.90 1y9j s ASP 74 Ca 0.21 1.42 -0.05 0.00 0.71 0.00 0.00 52.55 54.84 1y9j s ASP 74 Cb -0.03 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 1y9j s ASP 74 CO 0.13 -1.55 0.72 -0.13 0.21 0.00 0.00 175.17 174.54 1y9j s ARG 75 N 5.31 3.58 -0.22 8.23 0.52 -1.26 -5.01 118.95 130.10 1y9j s ARG 75 Ca 0.77 0.12 -0.05 0.00 -0.52 0.00 0.00 55.73 56.06 1y9j s ARG 75 Cb -0.23 -2.46 -0.02 0.00 0.52 0.00 0.00 34.95 32.76 1y9j s ARG 75 CO 0.33 -0.07 -0.01 0.34 0.02 0.00 0.00 175.30 175.91 1y9j s ASP 76 N -3.84 4.61 -0.36 0.23 -1.08 -1.26 -5.07 116.67 109.89 1y9j s ASP 76 Ca 0.46 -0.30 -0.29 0.00 -0.52 0.00 0.00 52.55 51.90 1y9j s ASP 76 Cb -0.10 -1.80 -0.01 0.00 -1.46 0.00 0.00 42.92 39.55 1y9j s ASP 76 CO 0.40 -0.00 1.61 -2.84 0.52 0.00 0.00 175.17 174.85 1y9j s PRO 77 N 1.39 3.47 1.03 4.34 0.02 -1.26 -4.82 135.00 139.17 1y9j s PRO 77 Ca 0.05 1.21 -0.16 0.00 0.02 0.00 0.00 61.00 62.12 1y9j s PRO 77 Cb -0.15 -4.11 0.21 0.00 0.02 0.00 0.00 34.50 30.48 1y9j s PRO 77 CO -0.00 -1.69 1.20 0.42 -0.33 0.00 0.00 177.00 176.59 1y9j s ILE 78 N 6.12 1.86 -0.16 2.83 -1.09 0.59 -4.99 121.20 126.36 1y9j s ILE 78 Ca 0.71 0.00 -0.09 0.00 -2.23 0.00 0.00 60.65 59.04 1y9j s ILE 78 Cb -0.18 -2.75 -0.23 0.00 -1.58 0.00 0.00 42.46 37.71 1y9j s ILE 78 CO 0.33 0.00 0.24 -2.11 -1.23 0.00 0.00 174.94 172.17 1y9j n ARG 79 N -4.12 0.70 -0.93 2.79 1.85 -1.26 -4.73 116.66 110.97 1y9j n ARG 79 Ca 0.12 0.31 -0.03 0.00 -1.00 0.00 0.00 57.85 57.25 1y9j n ARG 79 Cb 0.59 -1.69 -0.02 0.00 -1.05 0.00 0.00 32.46 30.30 1y9j n ARG 79 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1y9j n ASP 80 N -3.67 -0.48 -4.74 2.89 2.03 -1.26 -4.88 116.55 106.44 1y9j n ASP 80 Ca -0.34 -1.00 -0.37 0.00 0.52 0.00 0.00 54.79 53.60 1y9j n ASP 80 Cb 0.97 0.16 -0.07 0.00 -0.72 0.00 0.00 41.12 41.46 1y9j n ASP 80 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1y9j s VAL 81 N 0.01 5.29 0.37 5.18 1.01 -1.26 -4.67 120.40 126.33 1y9j s VAL 81 Ca 0.01 0.59 -0.27 0.00 0.00 0.00 0.00 61.98 62.30 1y9j s VAL 81 Cb 0.03 -3.65 -0.11 0.00 0.00 0.00 0.00 36.38 32.65 1y9j s VAL 81 CO -0.01 0.40 1.38 -2.65 0.00 0.00 0.00 175.10 174.21 1y9j n PRO 82 N 3.46 2.33 -4.39 2.72 -0.02 -1.26 -1.33 135.00 136.50 1y9j n PRO 82 Ca -0.12 0.82 -0.24 0.00 -2.02 0.00 0.00 63.50 61.94 1y9j n PRO 82 Cb 0.52 -2.49 -0.09 0.00 -0.02 0.00 0.00 33.50 31.42 1y9j n PRO 82 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1y9j s ALA 83 N -1.13 3.05 -0.04 3.55 0.00 -1.04 0.13 121.76 126.28 1y9j s ALA 83 Ca 0.56 -1.90 0.01 0.00 0.00 0.00 0.00 51.96 50.63 1y9j s ALA 83 Cb -0.51 -0.38 0.02 0.00 0.00 0.00 0.00 23.12 22.24 1y9j s ALA 83 CO 0.62 0.16 -0.05 0.08 0.00 0.00 0.00 175.76 176.57 1y9j s VAL 84 N -2.49 0.57 -0.57 0.00 1.01 0.37 0.14 120.40 119.42 1y9j s VAL 84 Ca 0.33 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.18 1y9j s VAL 84 Cb -0.02 -0.58 0.14 0.00 0.00 0.00 0.00 36.38 35.92 1y9j s VAL 84 CO 0.18 0.22 0.33 -0.31 0.00 0.00 0.00 175.10 175.52 1y9j s TYR 85 N 0.76 3.29 -1.11 5.22 1.51 0.44 0.37 117.35 127.84 1y9j s TYR 85 Ca -0.11 -3.21 -0.14 0.00 -1.01 0.00 0.00 57.07 52.60 1y9j s TYR 85 Cb -0.13 -2.81 0.18 0.00 -0.11 0.00 0.00 41.96 39.09 1y9j s TYR 85 CO 0.00 -0.69 1.28 0.12 -1.11 0.00 0.00 175.55 175.15 1y9j s PHE 86 N -0.60 3.54 0.32 2.71 5.36 0.93 0.06 117.98 130.30 1y9j s PHE 86 Ca 0.19 -2.04 0.04 0.00 -0.96 0.00 0.00 56.93 54.17 1y9j s PHE 86 Cb -0.20 -4.21 -0.03 0.00 -0.34 0.00 0.00 43.02 38.23 1y9j s PHE 86 CO -0.04 -1.33 0.20 0.14 -1.46 0.00 0.00 175.22 172.72 1y9j s VAL 87 N 1.34 0.21 0.53 3.12 -7.23 0.94 -3.64 120.40 115.67 1y9j s VAL 87 Ca 0.37 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.37 1y9j s VAL 87 Cb -0.05 -2.48 -0.07 0.00 0.56 0.00 0.00 36.38 34.34 1y9j s VAL 87 CO -0.04 0.00 1.02 -0.32 -0.31 0.00 0.00 175.10 175.45 1y9j s MET 88 N -3.70 3.73 -0.40 4.82 1.75 -1.26 -2.73 119.30 121.50 1y9j s MET 88 Ca 0.36 1.15 -0.02 0.00 -1.25 0.00 0.00 55.69 55.94 1y9j s MET 88 Cb 0.04 -2.10 0.22 0.00 2.84 0.00 0.00 34.83 35.83 1y9j s MET 88 CO 0.20 -0.47 2.16 -0.35 -0.65 0.00 0.00 175.02 175.92 1y9j n PRO 89 N -1.49 2.05 -2.02 4.11 -0.04 -1.26 -4.58 135.00 131.77 1y9j n PRO 89 Ca 0.08 -1.98 -0.31 0.00 -0.04 0.00 0.00 63.50 61.25 1y9j n PRO 89 Cb 0.53 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 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 -2.69 4.68 0.26 0.52 -4.23 -1.26 -4.70 115.64 108.22 1y9j s THR 90 Ca 0.41 0.91 -0.06 0.00 -1.18 0.00 0.00 61.69 61.78 1y9j s THR 90 Cb 0.31 -3.84 0.35 0.00 1.34 0.00 0.00 72.50 70.66 1y9j s THR 90 CO -0.05 -1.04 1.60 -0.33 -0.54 0.00 0.00 174.62 174.26 1y9j h GLU 91 N -0.03 0.05 -0.44 3.99 5.08 -1.99 0.75 114.58 121.98 1y9j h GLU 91 Ca -0.45 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.85 1y9j h GLU 91 Cb 1.19 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 1y9j h GLU 91 CO 0.62 0.03 0.02 1.05 -1.00 0.00 0.00 179.01 179.73 1y9j h GLU 92 N 0.05 0.76 -0.53 2.33 4.11 -1.96 -2.85 114.58 116.50 1y9j h GLU 92 Ca 0.46 -0.23 -0.03 0.00 0.07 0.00 0.00 59.36 59.63 1y9j h GLU 92 Cb 0.83 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1y9j h GLU 92 CO -0.80 0.82 0.20 -0.91 0.07 0.00 0.00 179.01 178.38 1y9j h ASN 93 N 0.61 0.74 -0.73 3.06 4.21 -0.79 -2.08 115.58 120.60 1y9j h ASN 93 Ca 0.13 -0.18 0.16 0.00 1.21 0.00 0.00 56.30 57.62 1y9j h ASN 93 Cb 0.46 -0.19 -0.04 0.00 -1.12 0.00 0.00 38.32 37.43 1y9j h ASN 93 CO 0.02 0.72 0.49 0.40 -1.29 0.00 0.00 177.43 177.77 1y9j h ILE 94 N 0.72 0.76 0.00 2.81 1.08 0.44 0.66 117.51 123.98 1y9j h ILE 94 Ca 0.17 -0.10 -0.10 0.00 -0.39 0.00 0.00 64.86 64.44 1y9j h ILE 94 Cb 0.22 0.43 -0.01 0.00 -3.07 0.00 0.00 36.82 34.38 1y9j h ILE 94 CO -0.01 0.06 -0.46 -0.78 -0.69 0.00 0.00 178.15 176.27 1y9j h ASP 95 N 0.31 0.00 -0.49 1.72 3.58 -1.15 -3.04 116.42 117.35 1y9j h ASP 95 Ca 0.36 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.72 1y9j h ASP 95 Cb 0.95 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.98 1y9j h ASP 95 CO -0.09 0.46 0.00 -0.09 -2.88 0.00 0.00 179.24 176.63 1y9j h ARG 96 N 0.00 0.92 -0.32 0.28 9.65 0.68 -1.35 114.38 124.24 1y9j h ARG 96 Ca -0.00 -0.27 -0.12 0.00 -1.10 0.00 0.00 59.98 58.49 1y9j h ARG 96 Cb 1.03 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.50 1y9j h ARG 96 CO 0.06 0.91 -0.26 -0.07 2.80 0.00 0.00 179.97 183.41 1y9j h LEU 97 N 0.85 0.79 -1.62 3.80 -0.00 -1.36 -0.72 115.31 117.04 1y9j h LEU 97 Ca 0.16 -0.45 -0.04 0.00 -0.00 0.00 0.00 57.88 57.55 1y9j h LEU 97 Cb 0.50 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 40.93 1y9j h LEU 97 CO 0.02 1.07 -0.20 0.00 -0.00 0.00 0.00 178.44 179.34 1y9j h GLN 99 N 0.00 0.00 0.00 0.00 1.08 -1.01 -2.86 115.11 112.32 1y9j h GLN 99 Ca -0.00 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.11 1y9j h GLN 99 Cb 0.46 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.88 1y9j h GLN 99 CO 0.03 0.95 -0.41 0.38 -0.95 0.00 0.00 178.83 178.83 1y9j h ASP 100 N -1.00 0.00 0.27 1.46 3.04 -1.05 -0.71 116.42 118.43 1y9j h ASP 100 Ca -0.01 0.00 -0.20 0.00 -3.24 0.00 0.00 57.03 53.58 1y9j h ASP 100 Cb 0.96 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.25 1y9j h ASP 100 CO -0.01 0.41 -0.81 -0.07 -2.04 0.00 0.00 179.24 176.72 1y9j h LEU 101 N 0.00 0.52 0.04 0.15 3.38 -0.42 -2.57 115.31 116.40 1y9j h LEU 101 Ca -0.00 -0.37 -0.25 0.00 0.09 0.00 0.00 57.88 57.34 1y9j h LEU 101 Cb 0.90 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1y9j h LEU 101 CO 0.05 1.13 -1.27 0.03 0.09 0.00 0.00 178.44 178.48 1y9j h ARG 102 N 0.27 0.09 0.00 1.13 3.08 -1.40 -3.27 114.38 114.28 1y9j h ARG 102 Ca -0.05 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 59.82 1y9j h ARG 102 Cb 1.41 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.51 1y9j h ARG 102 CO 0.14 0.96 -0.16 -0.91 -1.07 0.00 0.00 179.97 178.93 1y9j h ASN 103 N 0.02 0.00 -3.83 7.04 2.35 -1.16 -3.47 115.58 116.53 1y9j h ASN 103 Ca -0.12 0.00 -0.38 0.00 -0.55 0.00 0.00 56.30 55.24 1y9j h ASN 103 Cb 1.89 0.00 0.04 0.00 0.05 0.00 0.00 38.32 40.30 1y9j h ASN 103 CO 0.14 0.16 -0.55 0.00 -1.65 0.00 0.00 177.43 175.53 1y9j n GLN 104 N -3.30 -3.83 -0.00 0.81 6.02 -0.97 -4.87 117.38 111.24 1y9j n GLN 104 Ca 0.00 0.88 0.10 0.00 -0.01 0.00 0.00 57.00 57.98 1y9j n GLN 104 Cb 0.41 -5.58 0.52 0.00 1.02 0.00 0.00 30.24 26.61 1y9j n GLN 104 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1y9j h LEU 105 N -0.97 0.31 -8.54 1.08 3.38 -1.89 -3.43 115.31 105.24 1y9j h LEU 105 Ca -0.49 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.22 1y9j h LEU 105 Cb 1.34 -0.06 -0.15 0.00 0.09 0.00 0.00 40.66 41.88 1y9j h LEU 105 CO 0.54 0.20 -0.69 -0.31 0.09 0.00 0.00 178.44 178.26 1y9j s TYR 106 N -5.34 1.05 0.03 1.13 1.51 -1.26 0.22 117.35 114.69 1y9j s TYR 106 Ca -0.07 -0.91 -0.23 0.00 -1.01 0.00 0.00 57.07 54.85 1y9j s TYR 106 Cb 0.19 -0.59 -0.16 0.00 -0.11 0.00 0.00 41.96 41.28 1y9j s TYR 106 CO 0.73 -0.12 1.41 1.49 -1.11 0.00 0.00 175.55 177.96 1y9j h GLU 107 N 2.86 0.12 -5.67 -0.62 4.22 -1.48 -3.47 114.58 110.54 1y9j h GLU 107 Ca -0.36 -0.04 -0.62 0.00 0.08 0.00 0.00 59.36 58.42 1y9j h GLU 107 Cb 1.18 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.35 1y9j h GLU 107 CO 0.64 0.44 -0.37 -1.54 -2.18 0.00 0.00 179.01 176.00 1y9j s SER 108 N -5.69 4.46 -0.41 1.04 1.04 -1.25 -4.35 113.70 108.54 1y9j s SER 108 Ca -0.15 -1.40 0.09 0.00 0.48 0.00 0.00 55.95 54.98 1y9j s SER 108 Cb 0.04 0.48 0.31 0.00 0.10 0.00 0.00 66.02 66.95 1y9j s SER 108 CO 0.69 -1.03 0.77 -1.22 0.98 0.00 0.00 173.24 173.43 1y9j n TYR 109 N -1.60 -0.97 -1.68 5.02 4.02 -0.80 -2.49 117.16 118.66 1y9j n TYR 109 Ca -0.08 -3.18 -0.18 0.00 -0.01 0.00 0.00 57.90 54.45 1y9j n TYR 109 Cb 0.65 0.23 -0.06 0.00 -0.02 0.00 0.00 39.34 40.14 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 -1.21 1.28 0.43 -0.72 6.14 0.36 -3.07 117.35 120.55 1y9j s TYR 110 Ca 0.34 1.67 -0.20 0.00 0.64 0.00 0.00 57.07 59.53 1y9j s TYR 110 Cb 0.28 -3.58 -0.10 0.00 0.42 0.00 0.00 41.96 38.98 1y9j s TYR 110 CO -0.10 -1.67 0.93 -0.51 0.64 0.00 0.00 175.55 174.84 1y9j s LEU 111 N 13.60 3.91 -0.24 6.97 1.43 0.11 0.17 118.68 144.63 1y9j s LEU 111 Ca 0.88 1.63 -0.03 0.00 -1.03 0.00 0.00 54.13 55.58 1y9j s LEU 111 Cb -0.12 -4.48 0.13 0.00 0.03 0.00 0.00 46.19 41.75 1y9j s LEU 111 CO 0.07 -0.37 0.37 0.20 0.23 0.00 0.00 176.35 176.85 1y9j s ASN 112 N -2.32 0.27 -0.02 2.29 -0.87 0.11 -0.07 114.94 114.33 1y9j s ASN 112 Ca 0.61 0.23 -0.17 0.00 -1.57 0.00 0.00 52.86 51.96 1y9j s ASN 112 Cb -0.09 1.09 -0.05 0.00 -0.02 0.00 0.00 41.25 42.17 1y9j s ASN 112 CO 0.16 -0.30 0.47 -0.36 -2.57 0.00 0.00 177.10 174.50 1y9j s PHE 113 N 2.54 3.67 -0.06 2.20 0.08 -1.23 -0.04 117.98 125.14 1y9j s PHE 113 Ca 0.12 1.03 0.12 0.00 0.12 0.00 0.00 56.93 58.33 1y9j s PHE 113 Cb -0.15 -2.43 -0.05 0.00 -0.57 0.00 0.00 43.02 39.81 1y9j s PHE 113 CO -0.16 0.47 1.31 -0.84 -0.10 0.00 0.00 175.22 175.90 1y9j h ILE 114 N 4.01 1.11 -1.81 0.64 -2.65 -1.85 -3.36 117.51 113.60 1y9j h ILE 114 Ca -0.47 -2.61 -0.55 0.00 1.03 0.00 0.00 64.86 62.26 1y9j h ILE 114 Cb 1.20 2.53 -0.08 0.00 -2.05 0.00 0.00 36.82 38.42 1y9j h ILE 114 CO 0.67 0.63 -0.53 -0.55 0.03 0.00 0.00 178.15 178.40 1y9j s SER 115 N -6.47 4.60 -0.88 2.16 0.15 -1.26 -2.42 113.70 109.58 1y9j s SER 115 Ca 0.02 -0.85 -0.25 0.00 0.70 0.00 0.00 55.95 55.57 1y9j s SER 115 Cb 0.08 -0.65 0.03 0.00 -1.71 0.00 0.00 66.02 63.77 1y9j s SER 115 CO 0.78 -0.36 1.47 0.00 1.20 0.00 0.00 173.24 176.33 1y9j s ALA 116 N -2.47 2.57 0.68 5.45 0.00 -1.26 -4.75 121.76 121.98 1y9j s ALA 116 Ca 0.39 -1.75 -0.11 0.00 0.00 0.00 0.00 51.96 50.48 1y9j s ALA 116 Cb -0.01 -4.42 -0.00 0.00 0.00 0.00 0.00 23.12 18.69 1y9j s ALA 116 CO 0.23 -3.65 1.06 -1.50 0.00 0.00 0.00 175.76 171.89 1y9j s ILE 117 N 6.08 4.09 0.31 0.00 2.07 -1.26 -5.07 121.20 127.42 1y9j s ILE 117 Ca 0.46 0.70 0.08 0.00 -1.41 0.00 0.00 60.65 60.48 1y9j s ILE 117 Cb -0.04 -3.45 -0.03 0.00 0.13 0.00 0.00 42.46 39.06 1y9j s ILE 117 CO 0.02 -0.86 0.22 -0.55 -1.91 0.00 0.00 174.94 171.85 1y9j s SER 118 N -3.76 5.17 0.52 4.50 0.15 -1.26 -4.94 113.70 114.09 1y9j s SER 118 Ca 0.58 -0.50 0.25 0.00 0.70 0.00 0.00 55.95 56.98 1y9j s SER 118 Cb -0.14 -1.02 1.37 0.00 -1.71 0.00 0.00 66.02 64.52 1y9j s SER 118 CO 0.53 -0.24 1.98 0.08 1.20 0.00 0.00 173.24 176.80 1y9j h ARG 119 N 1.42 0.04 0.62 5.44 -0.00 -1.97 0.49 114.38 120.42 1y9j h ARG 119 Ca -0.45 -0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.49 1y9j h ARG 119 Cb 1.25 -0.01 0.01 0.00 -0.00 0.00 0.00 29.97 31.22 1y9j h ARG 119 CO 0.60 0.03 -0.30 1.03 -0.00 0.00 0.00 179.97 181.33 1y9j h SER 120 N 0.04 -0.71 0.14 0.08 0.87 -1.99 0.07 113.55 112.05 1y9j h SER 120 Ca 0.28 0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.81 1y9j h SER 120 Cb 1.06 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 63.19 1y9j h SER 120 CO -0.01 -0.41 -0.21 0.11 -0.53 0.00 0.00 176.83 175.78 1y9j h LYS 121 N -1.04 0.14 0.52 2.24 1.57 -1.85 -2.94 116.57 115.21 1y9j h LYS 121 Ca -0.09 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 1y9j h LYS 121 Cb 0.64 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.94 1y9j h LYS 121 CO 0.14 0.35 -0.25 -0.07 -0.57 0.00 0.00 179.45 179.05 1y9j h LEU 122 N 0.13 -0.59 -1.63 2.94 3.38 0.00 -2.59 115.31 116.95 1y9j h LEU 122 Ca 0.02 -0.05 0.28 0.00 0.09 0.00 0.00 57.88 58.23 1y9j h LEU 122 Cb 0.45 0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.28 1y9j h LEU 122 CO 0.03 -0.30 0.70 -0.33 0.09 0.00 0.00 178.44 178.63 1y9j h GLU 123 N -0.87 0.23 0.15 1.13 5.08 -0.87 0.22 114.58 119.66 1y9j h GLU 123 Ca -0.07 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1y9j h GLU 123 Cb 0.60 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1y9j h GLU 123 CO 0.12 0.15 -0.15 0.22 -1.00 0.00 0.00 179.01 178.35 1y9j h ASP 124 N 0.24 -0.41 0.15 1.42 1.82 -1.29 1.17 116.42 119.51 1y9j h ASP 124 Ca 0.55 0.04 -0.01 0.00 -0.39 0.00 0.00 57.03 57.22 1y9j h ASP 124 Cb 1.69 0.14 0.00 0.00 0.68 0.00 0.00 39.33 41.85 1y9j h ASP 124 CO -0.17 -0.23 -0.07 0.40 -1.61 0.00 0.00 179.24 177.56 1y9j h ILE 125 N -0.34 1.00 -0.91 2.25 5.03 -0.54 0.96 117.51 124.96 1y9j h ILE 125 Ca 0.00 -0.71 0.13 0.00 -0.12 0.00 0.00 64.86 64.17 1y9j h ILE 125 Cb 0.32 1.43 -0.09 0.00 -3.03 0.00 0.00 36.82 35.45 1y9j h ILE 125 CO -0.04 0.16 0.52 0.00 -0.68 0.00 0.00 178.15 178.11 1y9j h ALA 126 N 0.24 1.37 -0.00 1.87 0.00 -0.63 0.21 119.26 122.32 1y9j h ALA 126 Ca -0.02 0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 1y9j h ALA 126 Cb 0.42 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1y9j h ALA 126 CO 0.03 0.04 -0.81 -0.91 0.00 0.00 0.00 179.25 177.61 1y9j h ASN 127 N 0.78 0.05 -0.78 0.00 2.35 0.16 -2.97 115.58 115.17 1y9j h ASN 127 Ca 0.47 -0.04 0.23 0.00 -0.55 0.00 0.00 56.30 56.41 1y9j h ASN 127 Cb 0.58 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.91 1y9j h ASN 127 CO -0.32 0.83 0.61 0.00 -1.65 0.00 0.00 177.43 176.91 1y9j h ALA 128 N 1.16 2.68 0.17 -0.83 0.00 0.43 0.11 119.26 122.98 1y9j h ALA 128 Ca -0.01 -0.03 -0.35 0.00 0.00 0.00 0.00 54.91 54.51 1y9j h ALA 128 Cb 1.42 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1y9j h ALA 128 CO 0.11 -1.01 -1.82 0.00 0.00 0.00 0.00 179.25 176.53 1y9j h ALA 129 N 1.52 0.25 -1.15 0.00 0.00 -1.33 -3.34 119.26 115.20 1y9j h ALA 129 Ca 0.37 -1.22 0.33 0.00 0.00 0.00 0.00 54.91 54.40 1y9j h ALA 129 Cb 1.58 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 19.85 1y9j h ALA 129 CO -0.00 1.12 0.89 -0.07 0.00 0.00 0.00 179.25 181.19 1y9j h LEU 130 N 0.10 0.00 -0.43 0.00 -0.00 -0.65 1.46 115.31 115.78 1y9j h LEU 130 Ca -0.36 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.46 1y9j h LEU 130 Cb 2.08 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.72 1y9j h LEU 130 CO 0.15 0.00 0.03 0.00 -0.00 0.00 0.00 178.44 178.62 1y9j h ALA 131 N 1.30 0.57 -0.02 1.53 0.00 -1.62 -3.12 119.26 117.90 1y9j h ALA 131 Ca 0.55 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1y9j h ALA 131 Cb 2.32 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.95 1y9j h ALA 131 CO -0.01 0.33 -0.03 0.00 0.00 0.00 0.00 179.25 179.55 1y9j n ALA 132 N -2.40 2.52 -3.59 0.00 0.00 0.15 -4.98 120.51 112.21 1y9j n ALA 132 Ca -0.00 -0.66 -0.21 0.00 0.00 0.00 0.00 53.44 52.57 1y9j n ALA 132 Cb 0.27 -0.69 0.06 0.00 0.00 0.00 0.00 19.45 19.10 1y9j n ALA 132 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1y9j n ASN 133 N 1.07 -2.67 -4.86 0.00 3.02 0.45 -4.98 115.26 107.29 1y9j n ASN 133 Ca 0.12 -0.69 -0.37 0.00 -0.03 0.00 0.00 54.58 53.61 1y9j n ASN 133 Cb 0.50 -4.64 -0.06 0.00 -0.61 0.00 0.00 39.78 34.97 1y9j n ASN 133 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1y9j s ALA 134 N -3.45 3.81 -0.40 5.41 0.00 -1.10 -5.00 121.76 121.03 1y9j s ALA 134 Ca 0.15 -0.48 -0.28 0.00 0.00 0.00 0.00 51.96 51.35 1y9j s ALA 134 Cb -0.07 -2.13 -0.01 0.00 0.00 0.00 0.00 23.12 20.91 1y9j s ALA 134 CO 0.77 0.57 1.67 0.08 0.00 0.00 0.00 175.76 178.85 1y9j s VAL 135 N -1.07 3.61 0.12 0.00 1.01 -1.26 -4.75 120.40 118.06 1y9j s VAL 135 Ca 0.19 0.59 0.09 0.00 0.00 0.00 0.00 61.98 62.86 1y9j s VAL 135 Cb -0.14 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1y9j s VAL 135 CO 0.09 -0.61 -0.22 0.42 0.00 0.00 0.00 175.10 174.77 1y9j s THR 136 N 6.64 1.90 -0.15 3.92 -4.23 -1.26 -1.90 115.64 120.56 1y9j s THR 136 Ca 0.71 -1.68 -0.05 0.00 -1.18 0.00 0.00 61.69 59.49 1y9j s THR 136 Cb -0.18 -1.74 0.07 0.00 1.34 0.00 0.00 72.50 71.99 1y9j s THR 136 CO 0.31 -0.06 0.28 0.00 -0.54 0.00 0.00 174.62 174.61 1y9j s GLN 137 N -2.12 0.18 -0.48 3.99 0.00 -1.17 -4.98 119.66 115.08 1y9j s GLN 137 Ca 0.11 0.71 -0.23 0.00 -0.00 0.00 0.00 55.36 55.94 1y9j s GLN 137 Cb -0.09 -0.15 0.03 0.00 0.00 0.00 0.00 33.01 32.80 1y9j s GLN 137 CO 0.05 -0.34 0.83 0.08 0.00 0.00 0.00 175.29 175.91 1y9j s VAL 138 N 2.44 4.58 1.20 3.63 1.01 -1.26 -0.71 120.40 131.29 1y9j s VAL 138 Ca 0.02 0.37 -0.20 0.00 0.00 0.00 0.00 61.98 62.18 1y9j s VAL 138 Cb -0.13 -4.38 0.29 0.00 0.00 0.00 0.00 36.38 32.16 1y9j s VAL 138 CO -0.10 -0.83 1.16 0.00 0.00 0.00 0.00 175.10 175.33 1y9j s ALA 139 N 3.45 0.84 0.66 5.51 0.00 0.90 -4.98 121.76 128.15 1y9j s ALA 139 Ca 0.30 -1.12 -0.11 0.00 0.00 0.00 0.00 51.96 51.03 1y9j s ALA 139 Cb -0.12 -2.82 -0.01 0.00 0.00 0.00 0.00 23.12 20.17 1y9j s ALA 139 CO 0.22 -3.54 1.05 0.21 0.00 0.00 0.00 175.76 173.70 1y9j s LYS 140 N -5.59 3.22 -0.12 0.00 2.20 -1.26 -4.51 119.74 113.68 1y9j s LYS 140 Ca 0.73 0.83 -0.08 0.00 -0.36 0.00 0.00 55.97 57.09 1y9j s LYS 140 Cb -0.07 -2.03 -0.04 0.00 -1.51 0.00 0.00 37.83 34.18 1y9j s LYS 140 CO 0.55 -0.86 0.16 0.08 -0.36 0.00 0.00 175.35 174.92 1y9j s VAL 141 N -3.12 5.46 -0.17 4.02 1.01 -1.26 -4.49 120.40 121.86 1y9j s VAL 141 Ca 0.57 0.26 0.07 0.00 0.00 0.00 0.00 61.98 62.88 1y9j s VAL 141 Cb -0.12 -3.43 -0.15 0.00 0.00 0.00 0.00 36.38 32.67 1y9j s VAL 141 CO 0.54 0.60 -0.06 2.22 0.00 0.00 0.00 175.10 178.41 1y9j n PHE 142 N 2.09 0.00 0.31 5.22 -1.74 -1.26 -4.50 117.46 117.58 1y9j n PHE 142 Ca -0.19 0.00 -0.02 0.00 -0.56 0.00 0.00 57.45 56.67 1y9j n PHE 142 Cb 0.55 -0.72 0.10 0.00 1.52 0.00 0.00 39.48 40.93 1y9j n PHE 142 CO 0.00 0.00 0.00 -0.25 -0.56 0.00 0.00 176.76 175.95 1y9j n ASP 143 N -2.79 2.90 0.19 5.98 9.92 -1.09 -4.13 116.55 127.53 1y9j n ASP 143 Ca -0.28 -2.42 0.07 0.00 -0.53 0.00 0.00 54.79 51.63 1y9j n ASP 143 Cb 0.92 -0.59 0.25 0.00 -0.64 0.00 0.00 41.12 41.06 1y9j n ASP 143 CO 0.00 0.00 0.00 0.06 0.13 0.00 0.00 177.20 177.39 1y9j h GLN 144 N 0.89 0.00 -0.00 -1.24 3.07 -1.71 -3.26 115.11 112.86 1y9j h GLN 144 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.84 1y9j h GLN 144 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.85 1y9j h GLN 144 CO 0.26 0.33 -0.11 0.98 0.09 0.00 0.00 178.83 180.38 1y9j n TYR 145 N -3.31 0.00 -4.16 0.06 4.19 -1.26 -4.80 117.16 107.88 1y9j n TYR 145 Ca 0.01 0.00 -0.15 0.00 3.31 0.00 0.00 57.90 61.07 1y9j n TYR 145 Cb 0.57 0.00 -0.05 0.00 0.49 0.00 0.00 39.34 40.34 1y9j n TYR 145 CO 0.00 0.00 0.00 1.47 0.91 0.00 0.00 176.86 179.24 1y9j n LEU 146 N -0.52 0.00 0.00 2.98 -0.00 -1.23 -5.23 117.00 113.00 1y9j n LEU 146 Ca 0.02 -2.59 0.00 0.00 -0.00 0.00 0.00 56.01 53.44 1y9j n LEU 146 Cb 0.09 1.63 0.00 0.00 -0.00 0.00 0.00 43.42 45.14 1y9j n LEU 146 CO 0.06 -0.48 0.00 -3.20 -0.00 0.00 0.00 177.39 173.78