#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 0.52 0.77 0.00 0.02 -2.06 -2.69 113.55 110.10 1y9j h SER 9 Ca 0.00 -0.41 -0.04 0.00 -0.84 0.00 0.00 61.79 60.50 1y9j h SER 9 Cb 0.00 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 62.40 1y9j h SER 9 CO 0.00 0.81 -0.37 0.40 -1.14 0.00 0.00 176.83 176.53 1y9j h ILE 10 N 0.22 0.14 -0.64 3.27 5.03 -2.01 -2.67 117.51 120.85 1y9j h ILE 10 Ca 0.05 -0.15 0.19 0.00 -0.12 0.00 0.00 64.86 64.83 1y9j h ILE 10 Cb 0.62 0.17 -0.03 0.00 -3.03 0.00 0.00 36.82 34.56 1y9j h ILE 10 CO 0.04 0.01 0.58 -0.09 -0.68 0.00 0.00 178.15 178.01 1y9j h ARG 11 N -1.17 0.00 -0.51 2.37 2.43 -1.98 0.37 114.38 115.90 1y9j h ARG 11 Ca -0.11 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.00 1y9j h ARG 11 Cb 0.81 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 1y9j h ARG 11 CO 0.17 0.00 0.07 0.93 -1.51 0.00 0.00 179.97 179.63 1y9j h GLU 12 N 0.00 0.86 -0.01 0.20 4.39 -1.13 -2.35 114.58 116.54 1y9j h GLU 12 Ca 0.30 -0.24 -0.05 0.00 0.34 0.00 0.00 59.36 59.72 1y9j h GLU 12 Cb 1.46 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 30.01 1y9j h GLU 12 CO -0.00 0.85 -0.23 0.07 -1.16 0.00 0.00 179.01 178.54 1y9j h ARG 13 N 0.73 0.02 -0.40 2.33 -0.00 -0.09 -2.49 114.38 114.47 1y9j h ARG 13 Ca 0.15 -0.00 0.05 0.00 -0.00 0.00 0.00 59.98 60.17 1y9j h ARG 13 Cb 0.42 -0.00 -0.04 0.00 -0.00 0.00 0.00 29.97 30.35 1y9j h ARG 13 CO 0.01 0.25 0.15 1.96 -0.00 0.00 0.00 179.97 182.35 1y9j h GLN 14 N 0.02 0.31 0.00 0.08 4.20 -1.02 -0.79 115.11 117.91 1y9j h GLN 14 Ca 0.00 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 1y9j h GLN 14 Cb 0.42 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 1y9j h GLN 14 CO 0.03 0.21 -0.24 1.79 -0.67 0.00 0.00 178.83 179.95 1y9j h THR 15 N 0.32 0.85 0.51 -0.54 1.35 -1.33 -2.96 112.91 111.11 1y9j h THR 15 Ca 0.18 -0.92 -0.02 0.00 -0.55 0.00 0.00 66.41 65.10 1y9j h THR 15 Cb 0.16 1.55 -0.02 0.00 -1.73 0.00 0.00 68.15 68.11 1y9j h THR 15 CO -0.18 0.23 -0.45 0.58 -0.25 0.00 0.00 175.52 175.45 1y9j h VAL 16 N 0.00 0.00 -0.25 6.82 2.07 -0.88 1.16 116.25 125.17 1y9j h VAL 16 Ca -0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1y9j h VAL 16 Cb 0.53 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1y9j h VAL 16 CO 0.03 0.00 0.18 0.00 0.02 0.00 0.00 177.57 177.80 1y9j h ALA 17 N -1.07 2.12 0.11 1.67 0.00 -1.52 -0.10 119.26 120.48 1y9j h ALA 17 Ca -0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1y9j h ALA 17 Cb 0.80 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1y9j h ALA 17 CO -0.02 -0.18 -0.05 -0.07 0.00 0.00 0.00 179.25 178.93 1y9j h LEU 18 N 0.09 -0.13 -1.76 0.00 3.38 -1.17 -3.03 115.31 112.69 1y9j h LEU 18 Ca 0.11 0.00 0.25 0.00 0.09 0.00 0.00 57.88 58.34 1y9j h LEU 18 Cb 0.34 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 1y9j h LEU 18 CO -0.01 0.02 0.65 0.11 0.09 0.00 0.00 178.44 179.29 1y9j h LYS 19 N -0.37 0.17 0.21 1.13 6.56 0.14 0.60 116.57 125.02 1y9j h LYS 19 Ca -0.02 -0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.55 1y9j h LYS 19 Cb 0.12 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 31.74 1y9j h LYS 19 CO 0.03 0.12 -0.11 0.00 -2.06 0.00 0.00 179.45 177.43 1y9j h ARG 20 N 0.18 -0.28 0.00 3.15 3.08 -1.09 0.41 114.38 119.83 1y9j h ARG 20 Ca 0.47 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.54 1y9j h ARG 20 Cb 1.55 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.66 1y9j h ARG 20 CO -0.10 -0.19 -0.25 0.00 -1.07 0.00 0.00 179.97 178.37 1y9j n MET 21 N -5.22 0.15 0.00 0.04 0.00 -0.22 -0.52 117.12 111.34 1y9j n MET 21 Ca -0.09 0.08 0.11 0.00 0.00 0.00 0.00 57.70 57.80 1y9j n MET 21 Cb 0.14 -1.63 0.09 0.00 0.00 0.00 0.00 33.22 31.82 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 -1.87 0.71 0.00 3.17 4.77 0.19 -4.57 117.00 119.40 1y9j n LEU 22 Ca 0.05 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1y9j n LEU 22 Cb 0.39 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1y9j n LEU 22 CO 0.32 0.18 -0.31 0.59 -1.33 0.00 0.00 177.39 176.84 1y9j n ASN 23 N -1.51 2.25 -4.47 -1.43 3.02 0.14 -4.79 115.26 108.47 1y9j n ASN 23 Ca 0.05 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.17 1y9j n ASN 23 Cb 0.33 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.46 1y9j n ASN 23 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1y9j s PHE 24 N -1.64 2.70 0.16 3.10 5.36 0.32 -5.01 117.98 122.95 1y9j s PHE 24 Ca 0.00 -0.42 -0.30 0.00 -0.96 0.00 0.00 56.93 55.25 1y9j s PHE 24 Cb 0.00 -4.23 -0.07 0.00 -0.34 0.00 0.00 43.02 38.38 1y9j s PHE 24 CO 0.00 -1.58 1.11 0.54 -1.46 0.00 0.00 175.22 173.83 1y9j s ASN 25 N 3.47 7.23 0.58 6.13 2.20 -1.26 -4.60 114.94 128.70 1y9j s ASN 25 Ca 0.24 2.07 -0.17 0.00 -0.94 0.00 0.00 52.86 54.06 1y9j s ASN 25 Cb -0.16 -2.60 -0.04 0.00 -2.00 0.00 0.00 41.25 36.45 1y9j s ASN 25 CO 0.12 -0.26 1.09 0.68 -2.94 0.00 0.00 177.10 175.79 1y9j s VAL 26 N -0.01 3.48 -0.35 3.54 -7.23 -1.26 -4.88 120.40 113.68 1y9j s VAL 26 Ca 0.51 0.78 -0.37 0.00 -1.81 0.00 0.00 61.98 61.09 1y9j s VAL 26 Cb -0.29 -3.29 -0.13 0.00 0.56 0.00 0.00 36.38 33.23 1y9j s VAL 26 CO 0.34 -0.33 2.08 -2.65 -0.31 0.00 0.00 175.10 174.23 1y9j n PRO 27 N -1.79 0.97 -4.43 4.82 -0.02 -1.26 -4.95 135.00 128.33 1y9j n PRO 27 Ca 0.10 0.29 -0.26 0.00 -2.02 0.00 0.00 63.50 61.61 1y9j n PRO 27 Cb 0.52 -2.25 -0.11 0.00 -0.02 0.00 0.00 33.50 31.63 1y9j n PRO 27 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1y9j s HIS 28 N 6.27 2.29 -0.20 6.00 2.46 -1.26 -5.11 115.29 125.73 1y9j s HIS 28 Ca 1.08 -0.35 -0.22 0.00 0.47 0.00 0.00 55.06 56.04 1y9j s HIS 28 Cb -0.99 -1.10 -0.02 0.00 -0.13 0.00 0.00 32.58 30.34 1y9j s HIS 28 CO 0.55 0.55 0.69 0.08 -2.47 0.00 0.00 174.74 174.14 1y9j s VAL 29 N -1.89 4.97 -0.24 0.89 1.01 -1.26 -5.04 120.40 118.84 1y9j s VAL 29 Ca 0.23 1.32 -0.06 0.00 0.00 0.00 0.00 61.98 63.46 1y9j s VAL 29 Cb -0.07 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 1y9j s VAL 29 CO 0.11 0.07 0.04 -0.54 0.00 0.00 0.00 175.10 174.78 1y9j s LYS 30 N 2.08 3.60 -0.09 2.72 -0.14 -1.26 -5.01 119.74 121.65 1y9j s LYS 30 Ca 0.31 -0.51 -0.01 0.00 -1.36 0.00 0.00 55.97 54.40 1y9j s LYS 30 Cb -0.16 -3.25 -0.00 0.00 -1.68 0.00 0.00 37.83 32.74 1y9j s LYS 30 CO 0.10 -0.17 -0.03 -0.97 -0.76 0.00 0.00 175.35 173.52 1y9j h ASN 31 N 8.15 0.00 -3.36 2.83 -1.24 -1.98 -3.44 115.58 116.54 1y9j h ASN 31 Ca -0.39 0.00 -0.73 0.00 0.71 0.00 0.00 56.30 55.89 1y9j h ASN 31 Cb 1.17 0.00 -0.24 0.00 0.73 0.00 0.00 38.32 39.98 1y9j h ASN 31 CO 0.59 0.45 -0.38 -0.55 -1.29 0.00 0.00 177.43 176.25 1y9j s SER 32 N -5.13 5.98 0.26 1.15 0.15 -1.26 -5.06 113.70 109.80 1y9j s SER 32 Ca -0.02 -1.35 -0.30 0.00 0.70 0.00 0.00 55.95 54.98 1y9j s SER 32 Cb 0.00 -2.12 -0.13 0.00 -1.71 0.00 0.00 66.02 62.06 1y9j s SER 32 CO 0.04 -0.60 1.29 -2.65 1.20 0.00 0.00 173.24 172.51 1y9j n PRO 33 N 5.11 1.85 0.00 5.44 -0.02 -1.26 -3.24 135.00 142.88 1y9j n PRO 33 Ca -0.12 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1y9j n PRO 33 Cb 0.44 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 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 1.65 1.29 3.64 -1.23 0.00 -1.26 -5.08 105.19 104.20 1y9j n GLY 34 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.00 4.19 1.10 1.61 2.12 -1.20 -5.04 118.70 121.48 1y9j s GLU 35 Ca 0.00 1.01 -0.18 0.00 0.36 0.00 0.00 54.97 56.16 1y9j s GLU 35 Cb 0.00 -3.65 0.11 0.00 0.26 0.00 0.00 34.13 30.85 1y9j s GLU 35 CO 0.00 -0.55 0.10 -2.30 -0.54 0.00 0.00 175.26 171.97 1y9j n PRO 36 N 6.08 -1.49 -3.52 4.30 -0.02 -1.26 -4.95 135.00 134.14 1y9j n PRO 36 Ca 0.07 -0.42 -0.42 0.00 -2.02 0.00 0.00 63.50 60.71 1y9j n PRO 36 Cb 0.47 -1.74 -0.08 0.00 -0.02 0.00 0.00 33.50 32.13 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 -2.26 4.50 0.69 -1.45 1.01 -1.26 -5.08 120.40 116.55 1y9j s VAL 37 Ca 0.57 -1.49 -0.11 0.00 0.00 0.00 0.00 61.98 60.95 1y9j s VAL 37 Cb -0.13 -3.83 0.01 0.00 0.00 0.00 0.00 36.38 32.43 1y9j s VAL 37 CO 0.66 -0.66 1.07 0.26 0.00 0.00 0.00 175.10 176.44 1y9j s TRP 38 N 1.46 3.31 -0.04 5.22 0.52 -1.26 -4.98 118.94 123.17 1y9j s TRP 38 Ca 0.04 0.99 -0.07 0.00 0.02 0.00 0.00 56.10 57.08 1y9j s TRP 38 Cb -0.25 -3.03 0.01 0.00 -1.15 0.00 0.00 33.47 29.05 1y9j s TRP 38 CO 0.02 -1.14 0.17 0.15 0.02 0.00 0.00 176.95 176.17 1y9j s LYS 39 N -5.31 0.33 0.27 4.98 1.02 -0.64 -4.19 119.74 116.20 1y9j s LYS 39 Ca 0.58 -0.01 0.08 0.00 0.02 0.00 0.00 55.97 56.64 1y9j s LYS 39 Cb -0.11 0.15 -0.04 0.00 -0.52 0.00 0.00 37.83 37.31 1y9j s LYS 39 CO 0.51 -0.06 0.16 0.08 -0.92 0.00 0.00 175.35 175.11 1y9j s VAL 40 N -0.50 3.95 -0.06 3.17 1.01 0.13 -0.76 120.40 127.34 1y9j s VAL 40 Ca -0.06 -1.55 -0.05 0.00 0.00 0.00 0.00 61.98 60.32 1y9j s VAL 40 Cb -0.04 -3.20 0.02 0.00 0.00 0.00 0.00 36.38 33.16 1y9j s VAL 40 CO 0.01 -0.32 0.15 -0.22 0.00 0.00 0.00 175.10 174.72 1y9j s LEU 41 N -3.82 1.39 -0.22 3.92 2.96 -0.72 0.15 118.68 122.34 1y9j s LEU 41 Ca 0.34 0.30 0.00 0.00 -0.22 0.00 0.00 54.13 54.55 1y9j s LEU 41 Cb -0.07 0.50 0.06 0.00 0.50 0.00 0.00 46.19 47.18 1y9j s LEU 41 CO 0.24 -0.06 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.54 1y9j s ILE 42 N 0.14 1.34 0.16 6.68 -1.09 0.99 -2.49 121.20 126.92 1y9j s ILE 42 Ca -0.00 -1.08 0.08 0.00 -2.23 0.00 0.00 60.65 57.41 1y9j s ILE 42 Cb -0.02 -1.64 -0.04 0.00 -1.58 0.00 0.00 42.46 39.18 1y9j s ILE 42 CO -0.00 -0.11 -0.06 -0.72 -1.23 0.00 0.00 174.94 172.82 1y9j s TYR 43 N 1.49 2.73 0.00 3.97 1.13 -1.15 -0.48 117.35 125.04 1y9j s TYR 43 Ca -0.05 -0.18 0.00 0.00 -1.41 0.00 0.00 57.07 55.44 1y9j s TYR 43 Cb -0.18 -1.35 0.00 0.00 -1.10 0.00 0.00 41.96 39.32 1y9j s TYR 43 CO -0.07 0.50 0.00 -3.47 -2.51 0.00 0.00 175.55 170.00 1y9j n ASP 44 N 0.12 0.25 -0.17 -0.18 2.03 -1.23 -3.08 116.55 114.29 1y9j n ASP 44 Ca -0.11 -0.85 -0.06 0.00 0.52 0.00 0.00 54.79 54.29 1y9j n ASP 44 Cb 0.55 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 1y9j n ASP 44 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1y9j h ARG 45 N 0.00 -0.18 -0.17 -0.67 -0.00 -1.99 -0.03 114.38 111.34 1y9j h ARG 45 Ca 0.00 0.01 -0.17 0.00 -0.50 0.00 0.00 59.98 59.32 1y9j h ARG 45 Cb 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 29.97 30.01 1y9j h ARG 45 CO 0.00 -0.12 -0.60 0.74 0.00 0.00 0.00 179.97 179.99 1y9j h PHE 46 N -0.19 0.73 -0.76 3.04 -1.00 -1.95 -2.96 116.94 113.85 1y9j h PHE 46 Ca 0.21 -0.27 0.17 0.00 2.81 0.00 0.00 57.97 60.89 1y9j h PHE 46 Cb 0.54 -0.13 -0.13 0.00 3.61 0.00 0.00 35.95 39.84 1y9j h PHE 46 CO -0.58 1.03 0.06 0.78 -1.61 0.00 0.00 178.31 177.98 1y9j h GLY 47 N 1.03 0.92 1.92 -1.45 0.00 -1.26 0.60 103.07 104.84 1y9j h GLY 47 Ca -0.00 0.07 -0.14 0.00 0.00 0.00 0.00 47.33 47.26 1y9j h GLY 47 CO 0.11 -0.28 -0.62 0.06 0.00 0.00 0.00 176.54 175.81 1y9j h GLN 48 N 0.14 0.08 0.00 4.80 3.07 -1.30 0.17 115.11 122.08 1y9j h GLN 48 Ca 0.42 -0.06 0.00 0.00 0.09 0.00 0.00 58.65 59.10 1y9j h GLN 48 Cb 0.75 0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.32 1y9j h GLN 48 CO -0.63 0.68 0.00 -3.47 0.09 0.00 0.00 178.83 175.50 1y9j n ASP 49 N -3.82 0.16 0.00 0.06 -0.08 0.20 -2.42 116.55 110.66 1y9j n ASP 49 Ca -0.02 0.56 0.00 0.00 -1.51 0.00 0.00 54.79 53.82 1y9j n ASP 49 Cb 0.62 -0.59 0.00 0.00 2.34 0.00 0.00 41.12 43.50 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 -1.70 0.00 -0.03 5.18 5.41 -0.58 -4.61 119.36 123.03 1y9j n ILE 50 Ca 0.01 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.65 1y9j n ILE 50 Cb 0.09 -0.47 -0.05 0.00 -0.71 0.00 0.00 39.64 38.50 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 1.08 0.73 1.39 2.10 -0.67 -3.11 117.51 119.03 1y9j h ILE 51 Ca 0.00 -0.21 -0.04 0.00 1.08 0.00 0.00 64.86 65.70 1y9j h ILE 51 Cb 0.90 0.94 0.01 0.00 -1.09 0.00 0.00 36.82 37.58 1y9j h ILE 51 CO 0.00 0.07 -0.35 0.77 -1.08 0.00 0.00 178.15 177.56 1y9j h SER 52 N 0.16 -0.83 -0.54 2.19 4.64 -1.58 0.52 113.55 118.13 1y9j h SER 52 Ca 0.05 0.02 0.16 0.00 -0.47 0.00 0.00 61.79 61.55 1y9j h SER 52 Cb 0.04 0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 1y9j h SER 52 CO -0.01 -0.57 0.74 1.55 -0.87 0.00 0.00 176.83 177.68 1y9j h PRO 53 N -1.01 0.00 0.00 4.77 0.13 -1.77 0.48 132.00 134.60 1y9j h PRO 53 Ca -0.10 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.03 1y9j h PRO 53 Cb 0.76 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.88 1y9j h PRO 53 CO 0.16 0.00 -0.20 1.28 -0.23 0.00 0.00 178.00 179.02 1y9j n LEU 54 N -3.34 1.73 -3.57 1.56 4.77 -1.06 -5.06 117.00 112.03 1y9j n LEU 54 Ca 0.11 -2.58 -0.07 0.00 -0.03 0.00 0.00 56.01 53.44 1y9j n LEU 54 Cb 0.93 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.68 1y9j n LEU 54 CO 0.22 0.64 0.87 -0.22 -1.33 0.00 0.00 177.39 177.56 1y9j s LEU 55 N -2.08 -0.25 0.00 2.23 0.20 0.18 -5.01 118.68 113.96 1y9j s LEU 55 Ca 0.24 0.11 0.04 0.00 0.69 0.00 0.00 54.13 55.21 1y9j s LEU 55 Cb 0.22 1.66 -0.02 0.00 -0.43 0.00 0.00 46.19 47.63 1y9j s LEU 55 CO 0.01 -0.35 0.15 -0.24 -0.29 0.00 0.00 176.35 175.63 1y9j n SER 56 N 0.14 1.20 -0.02 3.68 2.88 -1.26 -3.82 113.62 116.42 1y9j n SER 56 Ca -0.05 -3.22 -0.12 0.00 -1.33 0.00 0.00 58.87 54.15 1y9j n SER 56 Cb 0.59 1.07 -0.08 0.00 -0.75 0.00 0.00 64.21 65.04 1y9j n SER 56 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1y9j h VAL 57 N 1.70 1.27 -0.10 2.46 2.07 -1.98 0.12 116.25 121.77 1y9j h VAL 57 Ca -0.32 -0.83 -0.09 0.00 0.82 0.00 0.00 66.70 66.28 1y9j h VAL 57 Cb 1.24 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.69 1y9j h VAL 57 CO 0.51 0.23 -0.36 0.50 0.02 0.00 0.00 177.57 178.47 1y9j h LYS 58 N -0.19 0.21 -0.00 1.57 3.11 -1.99 -2.45 116.57 116.82 1y9j h LYS 58 Ca 0.02 -0.09 -0.18 0.00 -2.81 0.00 0.00 60.65 57.59 1y9j h LYS 58 Cb 0.36 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.57 1y9j h LYS 58 CO 0.00 0.54 -0.83 0.93 -2.81 0.00 0.00 179.45 177.29 1y9j h GLU 59 N 0.18 0.13 -0.04 1.90 5.08 -1.95 -1.21 114.58 118.67 1y9j h GLU 59 Ca 0.02 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1y9j h GLU 59 Cb 0.72 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1y9j h GLU 59 CO 0.05 0.88 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.79 1y9j h LEU 60 N 0.07 -0.26 -0.27 1.33 3.38 -0.30 -0.14 115.31 119.12 1y9j h LEU 60 Ca -0.03 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1y9j h LEU 60 Cb 1.44 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.30 1y9j h LEU 60 CO 0.12 -0.13 -0.35 0.03 0.09 0.00 0.00 178.44 178.20 1y9j h ARG 61 N -0.14 0.00 0.00 1.13 2.47 -1.51 -2.89 114.38 113.45 1y9j h ARG 61 Ca 0.05 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 1y9j h ARG 61 Cb 0.20 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 1y9j h ARG 61 CO -0.12 0.35 0.00 -0.44 0.56 0.00 0.00 179.97 180.32 1y9j h ASP 62 N 0.00 0.00 1.21 7.04 5.19 -0.63 -2.96 116.42 126.27 1y9j h ASP 62 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1y9j h ASP 62 Cb 1.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.68 1y9j h ASP 62 CO 0.05 0.00 -0.77 0.24 -3.12 0.00 0.00 179.24 175.64 1y9j h MET 63 N 0.00 0.00 0.00 3.56 2.86 -0.97 -3.48 114.93 116.90 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 0.67 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.33 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 1.63 3.68 8.32 0.00 -1.12 -4.90 105.19 113.98 1y9j n GLY 64 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.00 5.35 -0.30 -0.61 2.07 -1.10 -1.62 121.20 122.98 1y9j s ILE 65 Ca 0.00 0.28 0.23 0.00 -1.41 0.00 0.00 60.65 59.75 1y9j s ILE 65 Cb 0.00 -3.53 0.11 0.00 0.13 0.00 0.00 42.46 39.17 1y9j s ILE 65 CO 0.00 0.36 1.23 0.00 -1.91 0.00 0.00 174.94 174.62 1y9j h THR 66 N 4.91 0.01 -1.28 4.00 1.03 -1.28 -3.41 112.91 116.89 1y9j h THR 66 Ca -0.39 -1.01 0.15 0.00 -0.01 0.00 0.00 66.41 65.15 1y9j h THR 66 Cb 1.16 1.67 -0.30 0.00 -1.07 0.00 0.00 68.15 69.61 1y9j h THR 66 CO 0.70 0.00 0.67 -0.22 -0.01 0.00 0.00 175.52 176.66 1y9j s LEU 67 N -5.65 -0.23 -0.08 0.00 1.98 -1.25 -5.04 118.68 108.42 1y9j s LEU 67 Ca 0.02 0.41 -0.02 0.00 -2.89 0.00 0.00 54.13 51.64 1y9j s LEU 67 Cb 0.08 1.40 0.04 0.00 0.66 0.00 0.00 46.19 48.37 1y9j s LEU 67 CO 0.75 -0.07 0.05 -1.38 -1.89 0.00 0.00 176.35 173.81 1y9j s HIS 68 N 0.46 0.30 0.20 5.38 -3.43 -1.26 -1.76 115.29 115.19 1y9j s HIS 68 Ca 0.01 -0.01 -0.01 0.00 -0.80 0.00 0.00 55.06 54.26 1y9j s HIS 68 Cb -0.04 -0.63 -0.04 0.00 -1.43 0.00 0.00 32.58 30.44 1y9j s HIS 68 CO -0.12 -0.30 0.13 -0.48 -2.00 0.00 0.00 174.74 171.97 1y9j s LEU 69 N 2.10 1.18 -0.01 5.38 -0.00 -1.04 -5.01 118.68 121.28 1y9j s LEU 69 Ca 0.04 -1.40 -0.18 0.00 -0.00 0.00 0.00 54.13 52.59 1y9j s LEU 69 Cb -0.13 0.36 -0.06 0.00 -0.00 0.00 0.00 46.19 46.37 1y9j s LEU 69 CO -0.05 -0.84 0.52 -0.76 -0.00 0.00 0.00 176.35 175.22 1y9j s LEU 70 N -3.17 4.43 0.58 1.48 1.43 -1.26 -2.91 118.68 119.26 1y9j s LEU 70 Ca 0.39 1.06 0.30 0.00 -1.03 0.00 0.00 54.13 54.85 1y9j s LEU 70 Cb 0.07 -2.78 1.39 0.00 0.03 0.00 0.00 46.19 44.90 1y9j s LEU 70 CO 0.12 0.18 1.76 -0.07 0.23 0.00 0.00 176.35 178.58 1y9j h LEU 71 N 5.36 0.00 -3.65 1.79 4.07 -1.89 0.85 115.31 121.84 1y9j h LEU 71 Ca -0.47 0.00 -0.46 0.00 0.08 0.00 0.00 57.88 57.03 1y9j h LEU 71 Cb 1.20 0.00 -0.22 0.00 1.08 0.00 0.00 40.66 42.72 1y9j h LEU 71 CO 0.67 0.00 0.60 1.57 -1.08 0.00 0.00 178.44 180.20 1y9j n HIS 72 N -3.73 2.37 -4.16 1.13 -0.00 -1.26 -4.90 115.22 104.67 1y9j n HIS 72 Ca 0.15 -2.16 -0.13 0.00 0.46 0.00 0.00 57.72 56.04 1y9j n HIS 72 Cb 0.97 -1.06 -0.08 0.00 -0.12 0.00 0.00 29.99 29.71 1y9j n HIS 72 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 1y9j s SER 73 N -0.80 0.46 -0.62 0.26 0.01 0.30 -5.10 113.70 108.20 1y9j s SER 73 Ca 0.46 -1.37 -0.27 0.00 1.31 0.00 0.00 55.95 56.08 1y9j s SER 73 Cb 0.37 0.49 0.01 0.00 0.21 0.00 0.00 66.02 67.10 1y9j s SER 73 CO 0.02 -1.00 1.49 1.51 0.41 0.00 0.00 173.24 175.67 1y9j s ASP 74 N -3.18 5.92 0.95 2.44 -4.77 -1.26 -4.87 116.67 111.90 1y9j s ASP 74 Ca 0.35 0.09 -0.12 0.00 -3.30 0.00 0.00 52.55 49.57 1y9j s ASP 74 Cb 0.04 -2.55 0.16 0.00 -1.09 0.00 0.00 42.92 39.48 1y9j s ASP 74 CO 0.15 -1.92 1.09 -0.13 0.70 0.00 0.00 175.17 175.06 1y9j s ARG 75 N 5.96 0.80 -0.13 2.11 0.52 -1.26 -5.00 118.95 121.95 1y9j s ARG 75 Ca 0.51 0.89 -0.02 0.00 -0.52 0.00 0.00 55.73 56.60 1y9j s ARG 75 Cb -0.11 -1.75 -0.02 0.00 0.52 0.00 0.00 34.95 33.59 1y9j s ARG 75 CO 0.21 -2.58 -0.07 -0.51 0.02 0.00 0.00 175.30 172.37 1y9j s ASP 76 N -3.18 4.55 -0.48 0.23 1.01 -1.26 -5.08 116.67 112.47 1y9j s ASP 76 Ca 0.65 -0.15 -0.28 0.00 0.71 0.00 0.00 52.55 53.48 1y9j s ASP 76 Cb -0.20 -1.58 0.03 0.00 1.01 0.00 0.00 42.92 42.18 1y9j s ASP 76 CO 0.58 0.22 1.06 -2.16 0.21 0.00 0.00 175.17 175.08 1y9j s PRO 77 N 0.06 3.64 -0.20 8.23 0.04 -1.26 -4.72 135.00 140.79 1y9j s PRO 77 Ca -0.02 0.39 -0.04 0.00 0.04 0.00 0.00 61.00 61.37 1y9j s PRO 77 Cb -0.14 -3.92 0.06 0.00 0.04 0.00 0.00 34.50 30.55 1y9j s PRO 77 CO 0.03 -1.34 0.07 0.42 0.04 0.00 0.00 177.00 176.22 1y9j s ILE 78 N 4.20 0.26 -0.25 0.56 1.09 0.42 -4.99 121.20 122.48 1y9j s ILE 78 Ca 0.43 -0.46 0.22 0.00 -1.10 0.00 0.00 60.65 59.75 1y9j s ILE 78 Cb -0.08 -0.88 0.03 0.00 -1.06 0.00 0.00 42.46 40.47 1y9j s ILE 78 CO 0.30 -0.30 1.10 0.03 -0.10 0.00 0.00 174.94 175.97 1y9j h ARG 79 N 8.32 0.00 -0.90 2.79 2.47 -1.83 -2.99 114.38 122.24 1y9j h ARG 79 Ca -0.16 0.00 -0.44 0.00 -1.26 0.00 0.00 59.98 58.12 1y9j h ARG 79 Cb 1.12 0.00 -0.26 0.00 -1.65 0.00 0.00 29.97 29.18 1y9j h ARG 79 CO 0.33 0.02 0.53 -3.47 0.56 0.00 0.00 179.97 177.94 1y9j n ASP 80 N -2.75 3.79 -3.71 7.04 -0.08 -1.26 -4.16 116.55 115.42 1y9j n ASP 80 Ca -0.00 -3.57 -0.11 0.00 -1.51 0.00 0.00 54.79 49.60 1y9j n ASP 80 Cb 0.57 -0.81 -0.12 0.00 2.34 0.00 0.00 41.12 43.10 1y9j n ASP 80 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1y9j s VAL 81 N -3.25 -0.05 0.45 5.18 1.01 -1.25 -4.99 120.40 117.49 1y9j s VAL 81 Ca 0.56 0.13 -0.24 0.00 0.00 0.00 0.00 61.98 62.43 1y9j s VAL 81 Cb 0.47 -0.49 -0.08 0.00 0.00 0.00 0.00 36.38 36.28 1y9j s VAL 81 CO 0.10 0.05 1.18 -2.16 0.00 0.00 0.00 175.10 174.28 1y9j s PRO 82 N 1.38 3.82 0.21 2.72 0.04 -1.26 -2.35 135.00 139.56 1y9j s PRO 82 Ca -0.09 1.83 0.10 0.00 0.04 0.00 0.00 61.00 62.88 1y9j s PRO 82 Cb -0.10 -2.49 -0.05 0.00 0.04 0.00 0.00 34.50 31.91 1y9j s PRO 82 CO -0.11 -0.52 -0.19 0.00 0.04 0.00 0.00 177.00 176.23 1y9j s ALA 83 N -1.49 2.31 -0.02 8.56 0.00 -1.02 0.17 121.76 130.27 1y9j s ALA 83 Ca 0.62 -1.67 0.06 0.00 0.00 0.00 0.00 51.96 50.97 1y9j s ALA 83 Cb -0.30 -0.20 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 1y9j s ALA 83 CO 0.37 0.24 -0.21 0.08 0.00 0.00 0.00 175.76 176.23 1y9j s VAL 84 N -2.37 1.66 -0.56 0.00 1.01 0.40 0.72 120.40 121.27 1y9j s VAL 84 Ca 0.23 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.37 1y9j s VAL 84 Cb -0.05 -1.38 0.25 0.00 0.00 0.00 0.00 36.38 35.20 1y9j s VAL 84 CO 0.10 0.47 0.67 -1.22 0.00 0.00 0.00 175.10 175.12 1y9j n TYR 85 N 2.59 2.38 -2.64 5.22 4.02 0.31 0.33 117.16 129.37 1y9j n TYR 85 Ca -0.15 -3.97 -0.43 0.00 -0.01 0.00 0.00 57.90 53.33 1y9j n TYR 85 Cb 0.53 -0.49 -0.00 0.00 -0.02 0.00 0.00 39.34 39.36 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 -2.05 2.89 0.45 -0.72 5.36 0.37 -1.46 117.98 122.82 1y9j s PHE 86 Ca 0.38 -1.68 0.03 0.00 -0.96 0.00 0.00 56.93 54.70 1y9j s PHE 86 Cb 0.15 -4.68 -0.03 0.00 -0.34 0.00 0.00 43.02 38.12 1y9j s PHE 86 CO -0.05 -1.74 0.05 0.14 -1.46 0.00 0.00 175.22 172.16 1y9j s VAL 87 N 3.81 1.11 0.52 3.12 -7.23 0.39 -3.49 120.40 118.62 1y9j s VAL 87 Ca 0.52 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.49 1y9j s VAL 87 Cb 0.03 -2.41 -0.07 0.00 0.56 0.00 0.00 36.38 34.49 1y9j s VAL 87 CO 0.06 0.00 1.09 -0.04 -0.31 0.00 0.00 175.10 175.90 1y9j s MET 88 N -3.80 3.53 -0.41 4.82 -1.94 -1.26 -2.78 119.30 117.46 1y9j s MET 88 Ca 0.19 1.49 -0.02 0.00 -1.71 0.00 0.00 55.69 55.64 1y9j s MET 88 Cb 0.04 -2.04 0.24 0.00 2.01 0.00 0.00 34.83 35.07 1y9j s MET 88 CO 0.10 -0.68 2.13 -0.35 -0.01 0.00 0.00 175.02 176.21 1y9j n PRO 89 N -1.20 2.07 -3.24 2.03 -0.04 -1.26 -4.60 135.00 128.75 1y9j n PRO 89 Ca 0.11 -2.02 -0.30 0.00 -0.04 0.00 0.00 63.50 61.24 1y9j n PRO 89 Cb 0.52 -1.82 -0.04 0.00 -0.04 0.00 0.00 33.50 32.12 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 -2.80 4.94 0.29 0.52 -4.23 -1.26 -4.83 115.64 108.26 1y9j s THR 90 Ca 0.41 0.31 -0.01 0.00 -1.18 0.00 0.00 61.69 61.22 1y9j s THR 90 Cb 0.31 -3.70 0.36 0.00 1.34 0.00 0.00 72.50 70.81 1y9j s THR 90 CO -0.04 -0.30 1.60 -0.33 -0.54 0.00 0.00 174.62 175.00 1y9j h GLU 91 N 1.80 0.07 -0.60 3.99 5.08 -2.00 0.61 114.58 123.53 1y9j h GLU 91 Ca -0.47 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.86 1y9j h GLU 91 Cb 1.18 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 1y9j h GLU 91 CO 0.66 0.04 0.30 0.93 -1.00 0.00 0.00 179.01 179.95 1y9j h GLU 92 N 0.07 0.86 -0.48 2.33 5.08 -1.96 -2.36 114.58 118.12 1y9j h GLU 92 Ca 0.54 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.75 1y9j h GLU 92 Cb 1.06 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 1y9j h GLU 92 CO -0.81 0.68 0.18 -0.91 -1.00 0.00 0.00 179.01 177.15 1y9j h ASN 93 N 0.82 0.63 -0.79 1.42 2.35 -0.15 -2.02 115.58 117.84 1y9j h ASN 93 Ca 0.21 -0.08 0.02 0.00 -0.55 0.00 0.00 56.30 55.90 1y9j h ASN 93 Cb 0.09 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.26 1y9j h ASN 93 CO -0.03 0.59 0.52 0.40 -1.65 0.00 0.00 177.43 177.26 1y9j h ILE 94 N 0.69 1.17 0.00 2.81 1.08 -0.33 -0.47 117.51 122.46 1y9j h ILE 94 Ca 0.17 -0.35 -0.12 0.00 -0.39 0.00 0.00 64.86 64.17 1y9j h ILE 94 Cb 0.16 0.05 -0.02 0.00 -3.07 0.00 0.00 36.82 33.95 1y9j h ILE 94 CO -0.01 0.19 -0.56 0.44 -0.69 0.00 0.00 178.15 177.51 1y9j h ASP 95 N 1.03 0.00 0.65 1.72 5.19 -1.19 -2.92 116.42 120.90 1y9j h ASP 95 Ca 0.30 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.63 1y9j h ASP 95 Cb -0.05 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.45 1y9j h ASP 95 CO -0.08 0.56 -0.38 0.03 -3.12 0.00 0.00 179.24 176.26 1y9j h ARG 96 N 0.00 0.00 -0.09 3.56 3.08 -0.54 0.19 114.38 120.57 1y9j h ARG 96 Ca -0.01 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.91 1y9j h ARG 96 Cb 1.12 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.17 1y9j h ARG 96 CO 0.07 0.38 -0.45 -0.07 -1.07 0.00 0.00 179.97 178.83 1y9j h LEU 97 N 0.00 0.55 -0.80 3.04 -0.00 -1.15 -1.13 115.31 115.83 1y9j h LEU 97 Ca -0.00 -0.65 -0.12 0.00 -0.00 0.00 0.00 57.88 57.10 1y9j h LEU 97 Cb 0.80 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 41.29 1y9j h LEU 97 CO 0.05 1.11 -0.49 0.00 -0.00 0.00 0.00 178.44 179.11 1y9j h GLN 99 N 0.21 0.82 0.04 0.00 1.08 -0.95 -1.88 115.11 114.43 1y9j h GLN 99 Ca 0.01 -0.55 -0.26 0.00 -1.45 0.00 0.00 58.65 56.40 1y9j h GLN 99 Cb 0.94 0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 28.42 1y9j h GLN 99 CO 0.08 1.18 -1.33 -0.44 -0.95 0.00 0.00 178.83 177.36 1y9j h ASP 100 N 0.62 0.13 0.68 1.46 3.32 -1.08 -2.98 116.42 118.56 1y9j h ASP 100 Ca 0.00 -0.17 -0.10 0.00 0.02 0.00 0.00 57.03 56.78 1y9j h ASP 100 Cb 1.20 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 1y9j h ASP 100 CO 0.13 1.14 -0.48 -0.07 -1.72 0.00 0.00 179.24 178.24 1y9j h LEU 101 N 0.02 0.00 0.17 1.55 3.38 0.61 -2.76 115.31 118.28 1y9j h LEU 101 Ca -0.15 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.50 1y9j h LEU 101 Cb 1.91 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.67 1y9j h LEU 101 CO 0.13 0.48 -1.56 0.03 0.09 0.00 0.00 178.44 177.61 1y9j h ARG 102 N 0.00 0.36 0.00 1.13 3.08 -1.43 -3.30 114.38 114.22 1y9j h ARG 102 Ca -0.00 -0.61 -0.03 0.00 0.07 0.00 0.00 59.98 59.41 1y9j h ARG 102 Cb 0.95 0.23 -0.00 0.00 0.08 0.00 0.00 29.97 31.22 1y9j h ARG 102 CO 0.06 1.25 -0.14 -0.91 -1.07 0.00 0.00 179.97 179.17 1y9j h ASN 103 N 0.10 0.00 -2.83 7.04 2.35 -1.50 -3.47 115.58 117.28 1y9j h ASN 103 Ca -0.26 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.16 1y9j h ASN 103 Cb 2.07 0.00 0.01 0.00 0.05 0.00 0.00 38.32 40.45 1y9j h ASN 103 CO 0.20 0.14 -0.44 0.00 -1.65 0.00 0.00 177.43 175.68 1y9j n GLN 104 N -3.68 -2.32 0.10 0.81 6.02 -1.05 -4.87 117.38 112.40 1y9j n GLN 104 Ca -0.02 0.76 0.18 0.00 -0.01 0.00 0.00 57.00 57.91 1y9j n GLN 104 Cb 0.26 -5.18 0.73 0.00 1.02 0.00 0.00 30.24 27.06 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 -0.44 0.00 -7.71 1.08 3.38 -1.88 -3.42 115.31 106.32 1y9j h LEU 105 Ca -0.40 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.35 1y9j h LEU 105 Cb 1.29 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.77 1y9j h LEU 105 CO 0.45 0.00 -0.68 -0.31 0.09 0.00 0.00 178.44 177.99 1y9j s TYR 106 N -4.88 -0.02 0.17 1.13 1.51 -1.23 0.16 117.35 114.19 1y9j s TYR 106 Ca -0.05 0.05 -0.16 0.00 -1.01 0.00 0.00 57.07 55.90 1y9j s TYR 106 Cb 0.18 -0.00 0.12 0.00 -0.11 0.00 0.00 41.96 42.14 1y9j s TYR 106 CO 0.66 -0.03 1.69 1.49 -1.11 0.00 0.00 175.55 178.24 1y9j h GLU 107 N 5.98 0.08 -6.04 -0.62 4.57 -1.31 -3.44 114.58 113.80 1y9j h GLU 107 Ca -0.25 -0.01 -0.54 0.00 -1.18 0.00 0.00 59.36 57.39 1y9j h GLU 107 Cb 1.21 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.73 1y9j h GLU 107 CO 0.48 0.06 -0.38 0.45 -1.18 0.00 0.00 179.01 178.43 1y9j s SER 108 N -5.25 4.78 -0.44 1.04 0.15 -1.26 -3.86 113.70 108.86 1y9j s SER 108 Ca -0.13 -0.97 0.07 0.00 0.70 0.00 0.00 55.95 55.62 1y9j s SER 108 Cb 0.14 -0.28 0.25 0.00 -1.71 0.00 0.00 66.02 64.43 1y9j s SER 108 CO 0.71 -0.75 0.74 -1.22 1.20 0.00 0.00 173.24 173.91 1y9j n TYR 109 N -1.53 -1.94 -1.69 3.44 4.01 -0.62 -2.45 117.16 116.38 1y9j n TYR 109 Ca 0.01 -2.61 -0.17 0.00 -0.16 0.00 0.00 57.90 54.98 1y9j n TYR 109 Cb 0.63 0.69 -0.08 0.00 -0.31 0.00 0.00 39.34 40.27 1y9j n TYR 109 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1y9j s TYR 110 N -0.23 1.32 0.51 -0.72 6.14 0.22 -2.82 117.35 121.78 1y9j s TYR 110 Ca 0.33 1.79 -0.20 0.00 0.64 0.00 0.00 57.07 59.63 1y9j s TYR 110 Cb 0.21 -3.53 -0.07 0.00 0.42 0.00 0.00 41.96 38.99 1y9j s TYR 110 CO -0.18 -1.28 1.07 -0.51 0.64 0.00 0.00 175.55 175.29 1y9j s LEU 111 N 14.57 3.78 -0.30 6.97 1.43 0.30 0.11 118.68 145.54 1y9j s LEU 111 Ca 0.84 1.99 -0.03 0.00 -1.03 0.00 0.00 54.13 55.90 1y9j s LEU 111 Cb -0.09 -4.56 0.18 0.00 0.03 0.00 0.00 46.19 41.75 1y9j s LEU 111 CO 0.10 -0.95 0.62 0.21 0.23 0.00 0.00 176.35 176.56 1y9j s ASN 112 N -2.00 -1.32 -0.06 2.29 3.84 -0.54 0.11 114.94 117.26 1y9j s ASN 112 Ca 0.68 1.03 -0.16 0.00 0.21 0.00 0.00 52.86 54.63 1y9j s ASN 112 Cb -0.18 2.19 -0.05 0.00 -0.55 0.00 0.00 41.25 42.66 1y9j s ASN 112 CO 0.24 -0.25 0.42 -0.36 -2.79 0.00 0.00 177.10 174.35 1y9j s PHE 113 N 2.87 3.63 -0.13 0.43 0.08 -1.24 -0.47 117.98 123.15 1y9j s PHE 113 Ca 0.15 0.91 0.22 0.00 0.12 0.00 0.00 56.93 58.33 1y9j s PHE 113 Cb -0.14 -2.38 0.54 0.00 -0.57 0.00 0.00 43.02 40.47 1y9j s PHE 113 CO -0.20 0.44 1.66 0.82 -0.10 0.00 0.00 175.22 177.84 1y9j h ILE 114 N 4.15 0.41 -1.22 0.64 1.08 -1.85 -3.36 117.51 117.35 1y9j h ILE 114 Ca -0.47 -1.34 -0.59 0.00 -0.39 0.00 0.00 64.86 62.07 1y9j h ILE 114 Cb 1.20 2.00 -0.08 0.00 -3.07 0.00 0.00 36.82 36.87 1y9j h ILE 114 CO 0.68 0.21 -0.46 -0.44 -0.69 0.00 0.00 178.15 177.44 1y9j s SER 115 N -6.22 4.42 -1.17 1.72 0.01 -1.26 -2.08 113.70 109.12 1y9j s SER 115 Ca 0.04 -1.20 -0.18 0.00 1.31 0.00 0.00 55.95 55.92 1y9j s SER 115 Cb 0.08 -0.16 0.11 0.00 0.21 0.00 0.00 66.02 66.25 1y9j s SER 115 CO 0.67 -0.70 1.50 0.00 0.41 0.00 0.00 173.24 175.13 1y9j s ALA 116 N -2.67 3.43 0.92 1.44 0.00 -1.26 -4.79 121.76 118.83 1y9j s ALA 116 Ca 0.35 -2.92 -0.10 0.00 0.00 0.00 0.00 51.96 49.29 1y9j s ALA 116 Cb 0.02 -4.38 0.15 0.00 0.00 0.00 0.00 23.12 18.91 1y9j s ALA 116 CO 0.19 -3.15 1.13 -1.50 0.00 0.00 0.00 175.76 172.44 1y9j s ILE 117 N 3.32 2.16 0.23 0.00 2.07 -1.26 -5.03 121.20 122.69 1y9j s ILE 117 Ca 0.46 0.05 0.06 0.00 -1.41 0.00 0.00 60.65 59.81 1y9j s ILE 117 Cb -0.00 -2.12 -0.03 0.00 0.13 0.00 0.00 42.46 40.44 1y9j s ILE 117 CO -0.00 -0.07 0.23 -0.94 -1.91 0.00 0.00 174.94 172.25 1y9j s SER 118 N -2.72 5.73 0.39 4.50 1.04 -1.26 -4.94 113.70 116.44 1y9j s SER 118 Ca 0.66 -0.14 0.14 0.00 0.48 0.00 0.00 55.95 57.09 1y9j s SER 118 Cb -0.22 -1.53 0.99 0.00 0.10 0.00 0.00 66.02 65.35 1y9j s SER 118 CO 0.58 -0.02 1.86 0.08 0.98 0.00 0.00 173.24 176.72 1y9j h ARG 119 N 1.60 0.49 0.87 4.02 0.11 -1.97 0.51 114.38 120.01 1y9j h ARG 119 Ca -0.49 -0.03 -0.04 0.00 0.10 0.00 0.00 59.98 59.52 1y9j h ARG 119 Cb 1.23 -0.11 0.01 0.00 1.11 0.00 0.00 29.97 32.21 1y9j h ARG 119 CO 0.62 0.32 -0.42 1.03 0.10 0.00 0.00 179.97 181.62 1y9j h SER 120 N 0.51 -0.99 -0.78 0.08 0.87 -2.00 0.77 113.55 112.01 1y9j h SER 120 Ca 0.47 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 61.06 1y9j h SER 120 Cb 1.01 0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 63.19 1y9j h SER 120 CO -0.20 -0.66 0.50 0.11 -0.53 0.00 0.00 176.83 176.05 1y9j h LYS 121 N -1.28 1.04 -0.60 2.24 1.57 -1.81 -2.26 116.57 115.47 1y9j h LYS 121 Ca -0.12 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.59 1y9j h LYS 121 Cb 0.90 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 1y9j h LYS 121 CO 0.20 0.71 0.40 -0.07 -0.57 0.00 0.00 179.45 180.11 1y9j h LEU 122 N 1.07 0.69 -1.32 2.94 3.38 0.13 -1.99 115.31 120.21 1y9j h LEU 122 Ca 0.28 -0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.34 1y9j h LEU 122 Cb -0.09 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.43 1y9j h LEU 122 CO -0.06 0.50 0.54 -0.33 0.09 0.00 0.00 178.44 179.18 1y9j h GLU 123 N 0.82 0.72 0.22 1.13 5.08 -0.24 0.12 114.58 122.44 1y9j h GLU 123 Ca 0.22 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1y9j h GLU 123 Cb -0.09 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 1y9j h GLU 123 CO -0.05 0.48 -0.15 -0.44 -1.00 0.00 0.00 179.01 177.86 1y9j h ASP 124 N 0.75 -0.37 -0.55 1.42 3.32 -1.20 0.86 116.42 120.65 1y9j h ASP 124 Ca 0.39 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.39 1y9j h ASP 124 Cb 0.49 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 1y9j h ASP 124 CO -0.16 -0.23 0.06 0.40 -1.72 0.00 0.00 179.24 177.60 1y9j h ILE 125 N -0.36 1.26 -0.42 0.35 5.03 -1.23 0.63 117.51 122.76 1y9j h ILE 125 Ca -0.02 -1.01 0.05 0.00 -0.12 0.00 0.00 64.86 63.76 1y9j h ILE 125 Cb 0.31 0.84 -0.04 0.00 -3.03 0.00 0.00 36.82 34.89 1y9j h ILE 125 CO 0.01 0.36 0.16 0.00 -0.68 0.00 0.00 178.15 178.01 1y9j h ALA 126 N 0.98 0.51 0.00 1.87 0.00 -0.57 -1.35 119.26 120.70 1y9j h ALA 126 Ca 0.16 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 1y9j h ALA 126 Cb 0.45 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1y9j h ALA 126 CO 0.02 -0.22 -0.67 -0.91 0.00 0.00 0.00 179.25 177.46 1y9j h ASN 127 N 0.34 0.00 -1.01 0.00 2.35 -0.64 -3.00 115.58 113.62 1y9j h ASN 127 Ca 0.19 0.00 0.27 0.00 -0.55 0.00 0.00 56.30 56.21 1y9j h ASN 127 Cb 0.17 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.47 1y9j h ASN 127 CO -0.19 0.67 0.68 0.00 -1.65 0.00 0.00 177.43 176.95 1y9j h ALA 128 N 1.33 2.52 0.14 -0.83 0.00 0.14 0.12 119.26 122.67 1y9j h ALA 128 Ca -0.01 0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.58 1y9j h ALA 128 Cb 1.29 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1y9j h ALA 128 CO 0.09 -0.86 -1.76 0.00 0.00 0.00 0.00 179.25 176.72 1y9j h ALA 129 N 1.56 0.32 -0.53 0.00 0.00 -1.41 -3.34 119.26 115.86 1y9j h ALA 129 Ca 0.53 -1.23 0.15 0.00 0.00 0.00 0.00 54.91 54.36 1y9j h ALA 129 Cb 1.62 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 19.87 1y9j h ALA 129 CO -0.16 1.19 0.40 -0.07 0.00 0.00 0.00 179.25 180.62 1y9j h LEU 130 N 0.08 0.00 -1.12 0.00 3.38 -0.68 1.45 115.31 118.41 1y9j h LEU 130 Ca -0.33 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.54 1y9j h LEU 130 Cb 2.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.79 1y9j h LEU 130 CO 0.14 0.00 -0.43 0.00 0.09 0.00 0.00 178.44 178.24 1y9j h ALA 131 N 1.69 1.28 -0.14 1.53 0.00 -1.39 -3.04 119.26 119.20 1y9j h ALA 131 Ca 0.25 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1y9j h ALA 131 Cb 1.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1y9j h ALA 131 CO -0.00 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.79 1y9j n ALA 132 N -2.46 2.09 -3.00 0.00 0.00 0.12 -4.98 120.51 112.30 1y9j n ALA 132 Ca -0.02 -1.12 -0.16 0.00 0.00 0.00 0.00 53.44 52.14 1y9j n ALA 132 Cb 0.46 -0.19 -0.01 0.00 0.00 0.00 0.00 19.45 19.71 1y9j n ALA 132 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1y9j n ASN 133 N -0.13 -2.94 -4.71 0.00 6.94 0.45 -4.89 115.26 109.99 1y9j n ASN 133 Ca 0.05 -0.08 -0.41 0.00 -0.02 0.00 0.00 54.58 54.12 1y9j n ASN 133 Cb 0.34 -2.51 -0.04 0.00 -2.36 0.00 0.00 39.78 35.21 1y9j n ASN 133 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1y9j s ALA 134 N -2.64 3.30 -0.21 -2.53 0.00 -0.81 -4.98 121.76 113.89 1y9j s ALA 134 Ca 0.23 0.28 -0.28 0.00 0.00 0.00 0.00 51.96 52.18 1y9j s ALA 134 Cb -0.12 -3.14 -0.05 0.00 0.00 0.00 0.00 23.12 19.80 1y9j s ALA 134 CO 0.28 -0.23 2.21 0.28 0.00 0.00 0.00 175.76 178.30 1y9j n VAL 135 N 3.96 0.36 -4.50 0.00 0.31 -1.25 -4.71 118.33 112.50 1y9j n VAL 135 Ca 0.02 -0.44 -0.25 0.00 -0.01 0.00 0.00 64.34 63.66 1y9j n VAL 135 Cb 0.51 -2.54 -0.10 0.00 -0.91 0.00 0.00 33.84 30.79 1y9j n VAL 135 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1y9j s THR 136 N 8.12 2.32 -0.30 2.52 -4.23 -1.26 -1.58 115.64 121.22 1y9j s THR 136 Ca 1.00 -2.30 -0.10 0.00 -1.18 0.00 0.00 61.69 59.12 1y9j s THR 136 Cb -0.35 -2.46 0.15 0.00 1.34 0.00 0.00 72.50 71.18 1y9j s THR 136 CO 0.36 -0.31 0.74 0.00 -0.54 0.00 0.00 174.62 174.87 1y9j s GLN 137 N -3.57 0.50 -0.37 3.99 -2.07 -1.13 -4.95 119.66 112.06 1y9j s GLN 137 Ca 0.31 1.18 -0.21 0.00 -1.82 0.00 0.00 55.36 54.82 1y9j s GLN 137 Cb -0.01 0.70 0.01 0.00 -1.09 0.00 0.00 33.01 32.62 1y9j s GLN 137 CO 0.15 -0.24 0.68 0.08 -1.32 0.00 0.00 175.29 174.64 1y9j s VAL 138 N 2.79 4.83 1.04 3.63 1.01 -1.26 0.11 120.40 132.55 1y9j s VAL 138 Ca -0.01 0.58 -0.18 0.00 0.00 0.00 0.00 61.98 62.38 1y9j s VAL 138 Cb -0.11 -4.14 0.24 0.00 0.00 0.00 0.00 36.38 32.38 1y9j s VAL 138 CO -0.19 -0.40 1.33 0.00 0.00 0.00 0.00 175.10 175.84 1y9j s ALA 139 N 2.84 1.91 0.72 5.51 0.00 0.31 -4.95 121.76 128.10 1y9j s ALA 139 Ca 0.26 -1.31 -0.11 0.00 0.00 0.00 0.00 51.96 50.80 1y9j s ALA 139 Cb -0.14 -2.74 0.03 0.00 0.00 0.00 0.00 23.12 20.26 1y9j s ALA 139 CO 0.16 -2.79 1.10 -1.59 0.00 0.00 0.00 175.76 172.65 1y9j s LYS 140 N -5.91 2.69 0.09 0.00 -2.85 -1.26 -4.45 119.74 108.04 1y9j s LYS 140 Ca 0.76 0.37 0.02 0.00 -1.00 0.00 0.00 55.97 56.13 1y9j s LYS 140 Cb -0.03 -2.02 -0.04 0.00 -2.06 0.00 0.00 37.83 33.68 1y9j s LYS 140 CO 0.54 -1.13 0.12 0.08 0.10 0.00 0.00 175.35 175.07 1y9j s VAL 141 N -3.38 4.77 0.00 1.79 1.01 -1.26 -4.48 120.40 118.85 1y9j s VAL 141 Ca 0.59 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1y9j s VAL 141 Cb -0.11 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1y9j s VAL 141 CO 0.51 0.10 0.00 2.22 0.00 0.00 0.00 175.10 177.93 1y9j n PHE 142 N 0.30 0.00 1.72 5.22 -1.74 -1.26 -4.70 117.46 117.00 1y9j n PHE 142 Ca -0.08 0.00 0.05 0.00 -0.56 0.00 0.00 57.45 56.86 1y9j n PHE 142 Cb 0.52 0.00 0.30 0.00 1.52 0.00 0.00 39.48 41.81 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 -2.42 0.00 0.29 5.98 9.92 -1.14 -3.86 116.55 125.33 1y9j n ASP 143 Ca 0.00 -1.41 0.15 0.00 -0.53 0.00 0.00 54.79 53.00 1y9j n ASP 143 Cb 0.47 0.00 0.89 0.00 -0.64 0.00 0.00 41.12 41.84 1y9j n ASP 143 CO 0.00 0.00 0.00 -0.61 0.13 0.00 0.00 177.20 176.72 1y9j h GLN 144 N 0.00 0.00 -0.00 -1.24 -0.00 -1.70 -2.69 115.11 109.48 1y9j h GLN 144 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1y9j h GLN 144 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.48 1y9j h GLN 144 CO 0.00 0.01 -0.14 0.98 0.00 0.00 0.00 178.83 179.68 1y9j n TYR 145 N -3.85 0.00 -4.17 3.99 4.19 -1.25 -4.88 117.16 111.19 1y9j n TYR 145 Ca -0.03 0.00 -0.15 0.00 3.31 0.00 0.00 57.90 61.04 1y9j n TYR 145 Cb 0.10 0.00 -0.05 0.00 0.49 0.00 0.00 39.34 39.87 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 -0.75 0.00 0.00 2.98 -0.00 -1.01 -5.21 117.00 113.01 1y9j n LEU 146 Ca 0.01 -2.44 0.00 0.00 -0.00 0.00 0.00 56.01 53.59 1y9j n LEU 146 Cb 0.07 1.44 0.00 0.00 -0.00 0.00 0.00 43.42 44.94 1y9j n LEU 146 CO 0.07 -0.43 0.00 -3.20 -0.00 0.00 0.00 177.39 173.82