#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 0.11 0.52 0.00 0.02 -2.06 -2.10 113.55 110.03 1y9j h SER 9 Ca 0.00 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1y9j h SER 9 Cb 0.00 -0.03 0.01 0.00 0.14 0.00 0.00 62.40 62.52 1y9j h SER 9 CO 0.00 0.14 -0.25 0.40 -1.14 0.00 0.00 176.83 175.98 1y9j h ILE 10 N 0.12 0.00 -0.92 3.27 1.08 -2.03 -2.94 117.51 116.09 1y9j h ILE 10 Ca 0.03 -0.36 0.27 0.00 -0.39 0.00 0.00 64.86 64.41 1y9j h ILE 10 Cb 0.10 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 33.81 1y9j h ILE 10 CO 0.00 0.00 0.69 -0.09 -0.69 0.00 0.00 178.15 178.07 1y9j h ARG 11 N -1.05 0.00 0.05 2.37 9.65 -1.99 0.78 114.38 124.18 1y9j h ARG 11 Ca -0.07 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.81 1y9j h ARG 11 Cb 0.53 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.11 1y9j h ARG 11 CO 0.12 0.00 -0.02 0.93 2.80 0.00 0.00 179.97 183.79 1y9j h GLU 12 N 0.00 -0.06 -0.94 0.20 4.39 -1.30 -2.65 114.58 114.22 1y9j h GLU 12 Ca 0.44 0.00 0.18 0.00 0.34 0.00 0.00 59.36 60.32 1y9j h GLU 12 Cb 1.82 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 30.40 1y9j h GLU 12 CO -0.00 0.10 0.60 0.00 -1.16 0.00 0.00 179.01 178.55 1y9j h ARG 13 N -0.21 0.60 -0.11 2.33 3.08 -0.66 -1.08 114.38 118.32 1y9j h ARG 13 Ca -0.01 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.05 1y9j h ARG 13 Cb 0.19 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.06 1y9j h ARG 13 CO 0.01 0.40 -0.17 1.96 -1.07 0.00 0.00 179.97 181.10 1y9j h GLN 14 N 0.62 -0.21 0.00 0.04 4.20 -1.31 -0.66 115.11 117.80 1y9j h GLN 14 Ca 0.50 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 59.21 1y9j h GLN 14 Cb 0.94 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.77 1y9j h GLN 14 CO -0.25 -0.14 -0.08 1.15 -0.67 0.00 0.00 178.83 178.84 1y9j h THR 15 N -0.22 0.45 0.77 -0.54 2.02 -1.12 -2.83 112.91 111.43 1y9j h THR 15 Ca 0.09 -0.40 -0.03 0.00 0.77 0.00 0.00 66.41 66.84 1y9j h THR 15 Cb 0.35 1.27 -0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1y9j h THR 15 CO -0.24 0.08 -0.47 0.58 0.37 0.00 0.00 175.52 175.83 1y9j h VAL 16 N 0.00 0.06 -0.51 3.16 2.07 -0.60 1.09 116.25 121.52 1y9j h VAL 16 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1y9j h VAL 16 Cb 0.26 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 1y9j h VAL 16 CO 0.01 0.00 0.28 0.00 0.02 0.00 0.00 177.57 177.88 1y9j h ALA 17 N -1.05 1.53 0.18 1.67 0.00 -1.44 -2.12 119.26 118.03 1y9j h ALA 17 Ca -0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1y9j h ALA 17 Cb 0.93 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1y9j h ALA 17 CO 0.10 0.39 -0.09 -0.07 0.00 0.00 0.00 179.25 179.59 1y9j h LEU 18 N 0.71 -0.21 -1.13 0.00 3.38 -1.23 -3.08 115.31 113.75 1y9j h LEU 18 Ca 0.18 0.01 0.34 0.00 0.09 0.00 0.00 57.88 58.50 1y9j h LEU 18 Cb 0.02 0.05 -0.14 0.00 0.09 0.00 0.00 40.66 40.69 1y9j h LEU 18 CO -0.03 -0.06 0.64 0.11 0.09 0.00 0.00 178.44 179.19 1y9j h LYS 19 N -0.42 0.27 0.14 1.13 1.57 0.12 0.91 116.57 120.29 1y9j h LYS 19 Ca -0.03 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1y9j h LYS 19 Cb 0.19 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1y9j h LYS 19 CO 0.04 0.18 -0.15 0.00 -0.57 0.00 0.00 179.45 178.94 1y9j h ARG 20 N 0.27 -0.32 0.00 3.15 3.08 -1.44 0.89 114.38 120.02 1y9j h ARG 20 Ca 0.74 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.80 1y9j h ARG 20 Cb 1.86 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.98 1y9j h ARG 20 CO -0.53 -0.21 -0.06 0.00 -1.07 0.00 0.00 179.97 178.09 1y9j h MET 21 N -0.33 0.00 0.00 0.04 -0.00 -0.64 0.82 114.93 114.82 1y9j h MET 21 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.71 1y9j h MET 21 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.92 1y9j h MET 21 CO -0.05 0.06 -0.59 1.28 -0.00 0.00 0.00 176.91 177.61 1y9j n LEU 22 N -3.12 0.56 0.00 -0.10 4.77 0.29 -4.57 117.00 114.83 1y9j n LEU 22 Ca 0.03 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1y9j n LEU 22 Cb 0.54 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1y9j n LEU 22 CO 0.34 0.11 -0.20 0.59 -1.33 0.00 0.00 177.39 176.90 1y9j n ASN 23 N -1.60 1.40 -4.53 -1.43 3.02 0.31 -4.92 115.26 107.51 1y9j n ASN 23 Ca 0.05 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.18 1y9j n ASN 23 Cb 0.35 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.49 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 -1.49 2.51 0.09 3.10 5.36 0.28 -5.00 117.98 122.83 1y9j s PHE 24 Ca 0.00 -0.10 -0.29 0.00 -0.96 0.00 0.00 56.93 55.58 1y9j s PHE 24 Cb 0.00 -4.44 -0.05 0.00 -0.34 0.00 0.00 43.02 38.19 1y9j s PHE 24 CO 0.00 -1.78 0.93 0.54 -1.46 0.00 0.00 175.22 173.45 1y9j s ASN 25 N 3.46 7.44 0.49 6.13 4.22 -1.26 -4.50 114.94 130.92 1y9j s ASN 25 Ca 0.32 1.72 -0.21 0.00 -2.14 0.00 0.00 52.86 52.56 1y9j s ASN 25 Cb -0.11 -2.57 -0.07 0.00 1.28 0.00 0.00 41.25 39.78 1y9j s ASN 25 CO 0.16 -0.07 1.10 0.68 -2.04 0.00 0.00 177.10 176.93 1y9j s VAL 26 N 0.10 3.41 -0.25 3.54 -7.23 -1.26 -4.91 120.40 113.79 1y9j s VAL 26 Ca 0.46 0.94 -0.36 0.00 -1.81 0.00 0.00 61.98 61.21 1y9j s VAL 26 Cb -0.23 -3.41 -0.12 0.00 0.56 0.00 0.00 36.38 33.18 1y9j s VAL 26 CO 0.28 -0.13 1.98 -2.65 -0.31 0.00 0.00 175.10 174.28 1y9j n PRO 27 N -0.88 1.44 -4.38 4.82 -0.02 -1.26 -4.96 135.00 129.76 1y9j n PRO 27 Ca 0.09 0.48 -0.24 0.00 -2.02 0.00 0.00 63.50 61.81 1y9j n PRO 27 Cb 0.51 -2.44 -0.09 0.00 -0.02 0.00 0.00 33.50 31.46 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 5.42 2.50 -0.53 6.00 2.46 -1.26 -5.09 115.29 124.79 1y9j s HIS 28 Ca 1.02 -0.27 -0.28 0.00 0.47 0.00 0.00 55.06 56.00 1y9j s HIS 28 Cb -0.85 -1.10 0.03 0.00 -0.13 0.00 0.00 32.58 30.52 1y9j s HIS 28 CO 0.54 0.66 1.11 0.08 -2.47 0.00 0.00 174.74 174.66 1y9j s VAL 29 N -2.37 4.18 -0.36 0.89 1.01 -1.26 -5.00 120.40 117.49 1y9j s VAL 29 Ca 0.30 0.89 -0.14 0.00 0.00 0.00 0.00 61.98 63.04 1y9j s VAL 29 Cb -0.06 -4.63 -0.01 0.00 0.00 0.00 0.00 36.38 31.68 1y9j s VAL 29 CO 0.17 -1.15 0.28 -1.59 0.00 0.00 0.00 175.10 172.81 1y9j s LYS 30 N 4.52 3.40 -0.02 2.72 0.00 -1.26 -4.99 119.74 124.12 1y9j s LYS 30 Ca 0.42 -0.67 -0.03 0.00 0.00 0.00 0.00 55.97 55.69 1y9j s LYS 30 Cb -0.08 -3.84 -0.02 0.00 0.00 0.00 0.00 37.83 33.89 1y9j s LYS 30 CO 0.27 -0.53 0.31 -0.97 0.00 0.00 0.00 175.35 174.43 1y9j h ASN 31 N 8.52 -0.09 -3.40 0.03 -1.24 -1.99 -3.44 115.58 113.97 1y9j h ASN 31 Ca -0.30 0.00 -0.59 0.00 0.71 0.00 0.00 56.30 56.12 1y9j h ASN 31 Cb 1.15 0.02 -0.11 0.00 0.73 0.00 0.00 38.32 40.11 1y9j h ASN 31 CO 0.67 0.04 -0.23 -0.94 -1.29 0.00 0.00 177.43 175.67 1y9j s SER 32 N -3.41 6.47 0.74 1.15 1.04 -1.26 -5.06 113.70 113.37 1y9j s SER 32 Ca -0.02 0.55 -0.16 0.00 0.48 0.00 0.00 55.95 56.81 1y9j s SER 32 Cb 0.00 -2.22 -0.01 0.00 0.10 0.00 0.00 66.02 63.89 1y9j s SER 32 CO 0.05 -0.01 0.74 -2.65 0.98 0.00 0.00 173.24 172.34 1y9j n PRO 33 N 4.08 0.33 -2.84 4.02 -0.02 -1.26 -3.76 135.00 135.55 1y9j n PRO 33 Ca -0.09 0.16 -0.10 0.00 -2.02 0.00 0.00 63.50 61.45 1y9j n PRO 33 Cb 0.51 -2.02 0.05 0.00 -0.02 0.00 0.00 33.50 32.02 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 1.34 -0.01 2.97 -1.23 0.00 -1.26 -5.03 105.19 101.97 1y9j n GLY 34 Ca 0.11 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 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 -4.84 1.64 0.64 1.61 2.02 -1.25 -5.12 118.70 113.41 1y9j s GLU 35 Ca 0.02 -1.32 -0.17 0.00 0.02 0.00 0.00 54.97 53.52 1y9j s GLU 35 Cb -0.01 -2.76 -0.07 0.00 0.10 0.00 0.00 34.13 31.39 1y9j s GLU 35 CO 0.41 -0.72 0.47 -2.30 0.02 0.00 0.00 175.26 173.14 1y9j n PRO 36 N 4.52 0.39 -3.68 0.39 -0.02 -1.26 -4.95 135.00 130.39 1y9j n PRO 36 Ca -0.07 0.16 -0.38 0.00 -2.02 0.00 0.00 63.50 61.19 1y9j n PRO 36 Cb 0.43 -1.71 -0.10 0.00 -0.02 0.00 0.00 33.50 32.10 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 -1.81 3.72 0.48 -1.45 1.01 -1.26 -5.08 120.40 116.00 1y9j s VAL 37 Ca 0.66 -2.09 -0.20 0.00 0.00 0.00 0.00 61.98 60.35 1y9j s VAL 37 Cb -0.40 -3.49 -0.09 0.00 0.00 0.00 0.00 36.38 32.40 1y9j s VAL 37 CO 0.57 -0.75 1.03 0.26 0.00 0.00 0.00 175.10 176.21 1y9j s TRP 38 N 1.04 3.03 -0.06 5.22 0.52 -1.26 -5.01 118.94 122.42 1y9j s TRP 38 Ca 0.09 1.58 0.01 0.00 0.02 0.00 0.00 56.10 57.80 1y9j s TRP 38 Cb -0.23 -3.05 0.02 0.00 -1.15 0.00 0.00 33.47 29.06 1y9j s TRP 38 CO -0.03 -0.76 -0.06 0.21 0.02 0.00 0.00 176.95 176.33 1y9j s LYS 39 N -3.20 1.08 0.42 4.98 2.20 -0.93 -3.96 119.74 120.32 1y9j s LYS 39 Ca 0.67 -0.16 -0.02 0.00 -0.36 0.00 0.00 55.97 56.10 1y9j s LYS 39 Cb -0.16 -1.09 -0.03 0.00 -1.51 0.00 0.00 37.83 35.04 1y9j s LYS 39 CO 0.19 -0.12 0.66 0.08 -0.36 0.00 0.00 175.35 175.80 1y9j s VAL 40 N 1.14 4.83 -0.01 4.02 1.01 0.90 -2.66 120.40 129.63 1y9j s VAL 40 Ca -0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 1y9j s VAL 40 Cb -0.14 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.45 1y9j s VAL 40 CO -0.01 -0.62 0.03 -0.22 0.00 0.00 0.00 175.10 174.28 1y9j s LEU 41 N -4.52 1.91 -0.24 3.92 2.96 -0.26 0.12 118.68 122.57 1y9j s LEU 41 Ca 0.44 -0.02 -0.02 0.00 -0.22 0.00 0.00 54.13 54.32 1y9j s LEU 41 Cb -0.10 0.14 0.07 0.00 0.50 0.00 0.00 46.19 46.80 1y9j s LEU 41 CO 0.40 -0.06 0.04 -0.63 -1.32 0.00 0.00 176.35 174.78 1y9j s ILE 42 N -0.23 0.74 0.32 6.68 -1.09 1.16 -2.59 121.20 126.20 1y9j s ILE 42 Ca -0.03 -0.90 0.09 0.00 -2.23 0.00 0.00 60.65 57.58 1y9j s ILE 42 Cb -0.02 -1.32 -0.05 0.00 -1.58 0.00 0.00 42.46 39.49 1y9j s ILE 42 CO -0.00 -0.35 0.02 -0.72 -1.23 0.00 0.00 174.94 172.66 1y9j s TYR 43 N 1.73 2.61 0.00 3.97 -0.85 -1.12 -0.87 117.35 122.82 1y9j s TYR 43 Ca 0.02 -0.36 0.00 0.00 -0.52 0.00 0.00 57.07 56.21 1y9j s TYR 43 Cb -0.17 -1.41 0.00 0.00 0.38 0.00 0.00 41.96 40.76 1y9j s TYR 43 CO -0.14 0.50 0.00 -3.47 -1.52 0.00 0.00 175.55 170.93 1y9j n ASP 44 N -0.96 1.25 -0.33 -0.18 2.03 -1.25 -3.13 116.55 113.98 1y9j n ASP 44 Ca -0.05 -0.94 0.13 0.00 0.52 0.00 0.00 54.79 54.45 1y9j n ASP 44 Cb 0.61 0.00 0.34 0.00 -0.72 0.00 0.00 41.12 41.35 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 0.73 0.20 -0.67 -0.00 -1.99 0.60 114.38 113.25 1y9j h ARG 45 Ca 0.00 -0.04 -0.32 0.00 -0.00 0.00 0.00 59.98 59.62 1y9j h ARG 45 Cb 0.00 -0.16 0.02 0.00 -0.00 0.00 0.00 29.97 29.83 1y9j h ARG 45 CO 0.00 0.48 -1.50 0.74 -0.00 0.00 0.00 179.97 179.69 1y9j h PHE 46 N 0.75 0.78 -0.93 4.08 -1.00 -1.94 -2.67 116.94 116.00 1y9j h PHE 46 Ca 0.52 -0.57 0.16 0.00 2.81 0.00 0.00 57.97 60.90 1y9j h PHE 46 Cb 0.83 -0.03 -0.10 0.00 3.61 0.00 0.00 35.95 40.26 1y9j h PHE 46 CO -0.00 1.58 0.52 0.78 -1.61 0.00 0.00 178.31 179.58 1y9j h GLY 47 N 0.27 1.57 2.00 -1.45 0.00 -1.45 0.32 103.07 104.33 1y9j h GLY 47 Ca -0.28 -0.31 -0.16 0.00 0.00 0.00 0.00 47.33 46.57 1y9j h GLY 47 CO 0.20 -0.03 -0.77 0.06 0.00 0.00 0.00 176.54 176.00 1y9j h GLN 48 N 0.71 0.00 0.00 4.80 3.07 -1.03 -0.19 115.11 122.47 1y9j h GLN 48 Ca 0.51 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.25 1y9j h GLN 48 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.30 1y9j h GLN 48 CO -0.37 0.77 0.00 -3.47 0.09 0.00 0.00 178.83 175.86 1y9j n ASP 49 N -3.45 0.20 0.00 0.06 -0.08 0.10 -2.06 116.55 111.33 1y9j n ASP 49 Ca 0.00 0.56 0.00 0.00 -1.51 0.00 0.00 54.79 53.85 1y9j n ASP 49 Cb 0.79 -0.60 0.00 0.00 2.34 0.00 0.00 41.12 43.65 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 -1.74 0.00 -0.17 5.18 5.41 -0.70 -4.57 119.36 122.77 1y9j n ILE 50 Ca 0.02 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.68 1y9j n ILE 50 Cb 0.12 -0.62 0.01 0.00 -0.71 0.00 0.00 39.64 38.44 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 1.22 0.70 1.39 2.10 -1.06 -3.16 117.51 118.71 1y9j h ILE 51 Ca 0.00 -0.74 -0.03 0.00 1.08 0.00 0.00 64.86 65.16 1y9j h ILE 51 Cb 0.96 0.78 0.01 0.00 -1.09 0.00 0.00 36.82 37.47 1y9j h ILE 51 CO 0.00 0.27 -0.34 -1.28 -1.08 0.00 0.00 178.15 175.73 1y9j h SER 52 N 0.66 -0.79 -0.51 2.19 0.87 -1.53 0.62 113.55 115.06 1y9j h SER 52 Ca 0.16 0.01 0.15 0.00 -1.23 0.00 0.00 61.79 60.88 1y9j h SER 52 Cb 0.26 0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 1y9j h SER 52 CO -0.01 -0.52 0.73 1.55 -0.53 0.00 0.00 176.83 178.06 1y9j h PRO 53 N -1.02 0.00 0.00 2.24 0.13 -1.76 0.61 132.00 132.21 1y9j h PRO 53 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1y9j h PRO 53 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1y9j h PRO 53 CO 0.16 0.00 -0.02 1.28 -0.23 0.00 0.00 178.00 179.18 1y9j n LEU 54 N -3.31 1.95 -3.52 1.56 4.77 -1.05 -5.05 117.00 112.35 1y9j n LEU 54 Ca 0.10 -2.32 -0.12 0.00 -0.03 0.00 0.00 56.01 53.65 1y9j n LEU 54 Cb 0.92 -0.19 -0.04 0.00 -2.33 0.00 0.00 43.42 41.78 1y9j n LEU 54 CO 0.21 0.55 0.62 -0.22 -1.33 0.00 0.00 177.39 177.23 1y9j s LEU 55 N -1.71 -0.46 0.33 2.23 0.20 0.21 -5.03 118.68 114.46 1y9j s LEU 55 Ca 0.14 0.29 0.05 0.00 0.69 0.00 0.00 54.13 55.31 1y9j s LEU 55 Cb 0.12 2.16 -0.07 0.00 -0.43 0.00 0.00 46.19 47.98 1y9j s LEU 55 CO 0.01 -0.57 0.01 -0.44 -0.29 0.00 0.00 176.35 175.07 1y9j s SER 56 N -1.78 2.83 0.07 3.68 0.01 -1.26 -3.90 113.70 113.36 1y9j s SER 56 Ca -0.01 -1.32 -0.24 0.00 1.31 0.00 0.00 55.95 55.69 1y9j s SER 56 Cb -0.01 -0.18 -0.16 0.00 0.21 0.00 0.00 66.02 65.88 1y9j s SER 56 CO -0.02 -0.49 1.67 0.58 0.41 0.00 0.00 173.24 175.39 1y9j h VAL 57 N 2.08 0.99 -0.32 3.43 2.07 -1.98 0.59 116.25 123.12 1y9j h VAL 57 Ca -0.41 -0.14 -0.05 0.00 0.82 0.00 0.00 66.70 66.92 1y9j h VAL 57 Cb 1.24 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 1y9j h VAL 57 CO 0.71 0.04 -0.01 0.07 0.02 0.00 0.00 177.57 178.40 1y9j h LYS 58 N -0.13 0.49 -0.09 1.57 2.10 -1.99 -2.07 116.57 116.44 1y9j h LYS 58 Ca -0.01 -0.10 -0.17 0.00 -2.00 0.00 0.00 60.65 58.37 1y9j h LYS 58 Cb 0.11 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 31.37 1y9j h LYS 58 CO 0.01 0.53 -0.68 0.93 -2.00 0.00 0.00 179.45 178.24 1y9j h GLU 59 N 0.47 0.38 0.05 0.07 4.39 -1.91 -1.11 114.58 116.92 1y9j h GLU 59 Ca 0.10 -0.29 0.02 0.00 0.34 0.00 0.00 59.36 59.53 1y9j h GLU 59 Cb 0.33 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 1y9j h GLU 59 CO 0.01 0.92 -0.16 -0.07 -1.16 0.00 0.00 179.01 178.55 1y9j h LEU 60 N 0.27 -0.45 -0.82 1.33 3.38 -0.20 0.48 115.31 119.29 1y9j h LEU 60 Ca -0.02 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1y9j h LEU 60 Cb 1.23 0.18 -0.00 0.00 0.09 0.00 0.00 40.66 42.16 1y9j h LEU 60 CO 0.11 -0.22 -0.14 0.03 0.09 0.00 0.00 178.44 178.31 1y9j h ARG 61 N -0.29 0.00 -0.00 1.13 2.47 -1.45 -2.68 114.38 113.57 1y9j h ARG 61 Ca 0.04 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 1y9j h ARG 61 Cb 0.33 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.65 1y9j h ARG 61 CO -0.12 0.14 -0.39 -0.25 0.56 0.00 0.00 179.97 179.91 1y9j n ASP 62 N -3.21 0.45 0.03 7.04 8.00 -0.42 -3.85 116.55 124.58 1y9j n ASP 62 Ca 0.01 -0.17 0.11 0.00 0.71 0.00 0.00 54.79 55.45 1y9j n ASP 62 Cb 0.45 0.11 -0.11 0.00 -0.02 0.00 0.00 41.12 41.55 1y9j n ASP 62 CO 0.00 0.00 0.00 1.15 -0.39 0.00 0.00 177.20 177.96 1y9j n MET 63 N -1.43 0.64 0.00 -1.24 0.00 0.16 -4.96 117.12 110.28 1y9j n MET 63 Ca 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 57.70 57.69 1y9j n MET 63 Cb 0.33 -1.63 0.00 0.00 0.00 0.00 0.00 33.22 31.92 1y9j n MET 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1y9j n GLY 64 N 1.24 0.86 3.63 3.17 0.00 -1.21 -5.04 105.19 107.84 1y9j n GLY 64 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.46 4.92 -0.26 -0.61 2.07 -1.02 -2.20 121.20 122.64 1y9j s ILE 65 Ca 0.00 0.02 0.20 0.00 -1.41 0.00 0.00 60.65 59.46 1y9j s ILE 65 Cb 0.00 -3.25 0.10 0.00 0.13 0.00 0.00 42.46 39.44 1y9j s ILE 65 CO 0.00 0.42 1.28 0.00 -1.91 0.00 0.00 174.94 174.73 1y9j h THR 66 N 4.96 0.30 -1.21 4.00 1.03 -1.84 -3.43 112.91 116.72 1y9j h THR 66 Ca -0.38 -1.48 0.16 0.00 -0.01 0.00 0.00 66.41 64.71 1y9j h THR 66 Cb 1.17 1.98 -0.31 0.00 -1.07 0.00 0.00 68.15 69.91 1y9j h THR 66 CO 0.68 0.17 0.74 -0.22 -0.01 0.00 0.00 175.52 176.89 1y9j s LEU 67 N -5.98 -0.17 -0.06 0.00 1.98 -1.26 -5.02 118.68 108.18 1y9j s LEU 67 Ca 0.03 0.31 -0.02 0.00 -2.89 0.00 0.00 54.13 51.55 1y9j s LEU 67 Cb 0.07 1.30 0.03 0.00 0.66 0.00 0.00 46.19 48.26 1y9j s LEU 67 CO 0.75 -0.05 0.05 -1.38 -1.89 0.00 0.00 176.35 173.83 1y9j s HIS 68 N 0.32 0.18 0.24 5.38 -3.43 -1.26 -1.11 115.29 115.62 1y9j s HIS 68 Ca 0.03 0.13 -0.12 0.00 -0.80 0.00 0.00 55.06 54.30 1y9j s HIS 68 Cb -0.04 -0.56 -0.01 0.00 -1.43 0.00 0.00 32.58 30.54 1y9j s HIS 68 CO -0.13 -0.24 0.45 -0.48 -2.00 0.00 0.00 174.74 172.34 1y9j s LEU 69 N 2.13 0.38 0.01 5.38 -0.00 -1.07 -5.02 118.68 120.50 1y9j s LEU 69 Ca 0.05 -0.97 -0.27 0.00 -0.00 0.00 0.00 54.13 52.94 1y9j s LEU 69 Cb -0.12 1.66 -0.04 0.00 -0.00 0.00 0.00 46.19 47.69 1y9j s LEU 69 CO -0.04 -1.12 0.86 -0.76 -0.00 0.00 0.00 176.35 175.29 1y9j s LEU 70 N -3.03 4.40 0.60 1.48 1.43 -1.26 -2.81 118.68 119.49 1y9j s LEU 70 Ca 0.24 1.51 0.29 0.00 -1.03 0.00 0.00 54.13 55.14 1y9j s LEU 70 Cb -0.00 -3.37 1.49 0.00 0.03 0.00 0.00 46.19 44.34 1y9j s LEU 70 CO 0.09 -0.12 1.89 -0.07 0.23 0.00 0.00 176.35 178.37 1y9j h LEU 71 N 6.31 0.00 -3.67 1.79 4.07 -1.88 0.20 115.31 122.12 1y9j h LEU 71 Ca -0.42 0.00 -0.47 0.00 0.08 0.00 0.00 57.88 57.07 1y9j h LEU 71 Cb 1.21 0.00 -0.21 0.00 1.08 0.00 0.00 40.66 42.74 1y9j h LEU 71 CO 0.74 0.00 0.61 1.57 -1.08 0.00 0.00 178.44 180.27 1y9j n HIS 72 N -3.54 2.29 -4.14 1.13 -0.00 -1.26 -4.90 115.22 104.79 1y9j n HIS 72 Ca 0.06 -2.32 -0.16 0.00 0.46 0.00 0.00 57.72 55.76 1y9j n HIS 72 Cb 0.61 -1.12 -0.05 0.00 -0.12 0.00 0.00 29.99 29.31 1y9j n HIS 72 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1y9j s SER 73 N -0.72 1.15 -0.54 0.26 0.15 0.71 -5.10 113.70 109.62 1y9j s SER 73 Ca 0.46 -1.57 -0.27 0.00 0.70 0.00 0.00 55.95 55.26 1y9j s SER 73 Cb 0.36 0.64 -0.00 0.00 -1.71 0.00 0.00 66.02 65.30 1y9j s SER 73 CO 0.00 -1.24 1.63 1.51 1.20 0.00 0.00 173.24 176.34 1y9j s ASP 74 N -3.28 5.80 -0.01 5.45 -4.77 -1.26 -4.94 116.67 113.66 1y9j s ASP 74 Ca 0.33 0.46 -0.27 0.00 -3.30 0.00 0.00 52.55 49.78 1y9j s ASP 74 Cb 0.00 -2.54 -0.04 0.00 -1.09 0.00 0.00 42.92 39.26 1y9j s ASP 74 CO 0.23 -1.93 0.87 -0.13 0.70 0.00 0.00 175.17 174.90 1y9j s ARG 75 N 6.05 4.53 0.51 2.11 0.52 -1.26 -5.01 118.95 126.39 1y9j s ARG 75 Ca 0.62 1.21 -0.14 0.00 -0.52 0.00 0.00 55.73 56.90 1y9j s ARG 75 Cb -0.13 -3.44 -0.07 0.00 0.52 0.00 0.00 34.95 31.83 1y9j s ARG 75 CO 0.25 0.05 0.94 -0.51 0.02 0.00 0.00 175.30 176.04 1y9j s ASP 76 N 0.73 6.52 -0.45 0.23 1.11 -1.26 -5.02 116.67 118.53 1y9j s ASP 76 Ca 0.45 1.42 -0.24 0.00 0.18 0.00 0.00 52.55 54.37 1y9j s ASP 76 Cb -0.20 -2.45 0.03 0.00 1.07 0.00 0.00 42.92 41.36 1y9j s ASP 76 CO 0.24 -0.59 0.82 -2.16 1.18 0.00 0.00 175.17 174.66 1y9j s PRO 77 N -4.23 3.44 -0.40 8.23 0.04 -1.26 -4.82 135.00 136.00 1y9j s PRO 77 Ca 0.56 -0.04 0.11 0.00 0.04 0.00 0.00 61.00 61.68 1y9j s PRO 77 Cb -0.10 -3.94 0.37 0.00 0.04 0.00 0.00 34.50 30.87 1y9j s PRO 77 CO 0.36 -1.14 0.82 -0.89 0.04 0.00 0.00 177.00 176.18 1y9j n ILE 78 N 6.21 0.68 0.31 0.56 -0.00 0.63 -4.91 119.36 122.84 1y9j n ILE 78 Ca 0.03 -4.52 0.19 0.00 -0.00 0.00 0.00 62.75 58.45 1y9j n ILE 78 Cb 0.48 -0.34 1.02 0.00 -0.00 0.00 0.00 39.64 40.80 1y9j n ILE 78 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.55 176.63 1y9j h ARG 79 N 2.98 0.00 -0.62 0.38 -0.00 -1.45 -1.76 114.38 113.91 1y9j h ARG 79 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.06 1y9j h ARG 79 Cb 0.92 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.89 1y9j h ARG 79 CO 0.57 0.02 0.00 -0.25 -0.00 0.00 0.00 179.97 180.31 1y9j n ASP 80 N -3.38 2.34 -3.75 0.08 8.00 -1.26 -2.14 116.55 116.44 1y9j n ASP 80 Ca -0.02 -2.22 -0.13 0.00 0.71 0.00 0.00 54.79 53.13 1y9j n ASP 80 Cb 0.12 -0.42 -0.13 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 -1.66 -0.03 0.36 2.53 1.01 -0.66 -4.96 120.40 116.98 1y9j s VAL 81 Ca 0.21 0.13 -0.28 0.00 0.00 0.00 0.00 61.98 62.03 1y9j s VAL 81 Cb 0.14 -0.30 -0.12 0.00 0.00 0.00 0.00 36.38 36.10 1y9j s VAL 81 CO 0.09 0.05 1.39 -2.65 0.00 0.00 0.00 175.10 173.99 1y9j n PRO 82 N 3.95 2.40 -4.43 2.72 -0.02 -1.25 -2.69 135.00 135.67 1y9j n PRO 82 Ca -0.23 0.84 -0.25 0.00 -2.02 0.00 0.00 63.50 61.85 1y9j n PRO 82 Cb 0.54 -2.50 -0.10 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 -1.06 2.75 -0.05 3.55 0.00 -1.05 -0.07 121.76 125.82 1y9j s ALA 83 Ca 0.55 -1.78 0.03 0.00 0.00 0.00 0.00 51.96 50.76 1y9j s ALA 83 Cb -0.52 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.25 1y9j s ALA 83 CO 0.62 0.32 -0.15 0.08 0.00 0.00 0.00 175.76 176.64 1y9j s VAL 84 N -2.25 1.28 -0.66 0.00 1.01 0.32 0.79 120.40 120.89 1y9j s VAL 84 Ca 0.28 -0.60 0.05 0.00 0.00 0.00 0.00 61.98 61.71 1y9j s VAL 84 Cb -0.06 -1.12 0.20 0.00 0.00 0.00 0.00 36.38 35.39 1y9j s VAL 84 CO 0.14 0.38 0.56 -1.22 0.00 0.00 0.00 175.10 174.96 1y9j n TYR 85 N 3.43 2.99 -2.73 5.22 4.02 0.42 0.37 117.16 130.88 1y9j n TYR 85 Ca -0.20 -4.18 -0.43 0.00 -0.01 0.00 0.00 57.90 53.08 1y9j n TYR 85 Cb 0.53 -0.54 -0.02 0.00 -0.02 0.00 0.00 39.34 39.29 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 -1.66 2.88 0.29 -0.72 5.36 -0.05 -0.75 117.98 123.33 1y9j s PHE 86 Ca 0.30 -1.30 0.04 0.00 -0.96 0.00 0.00 56.93 55.02 1y9j s PHE 86 Cb 0.03 -4.52 -0.03 0.00 -0.34 0.00 0.00 43.02 38.15 1y9j s PHE 86 CO -0.13 -1.70 0.23 0.14 -1.46 0.00 0.00 175.22 172.30 1y9j s VAL 87 N 3.69 0.00 0.31 3.12 -7.23 0.29 -3.82 120.40 116.77 1y9j s VAL 87 Ca 0.42 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 58.34 1y9j s VAL 87 Cb -0.01 -2.50 -0.10 0.00 0.56 0.00 0.00 36.38 34.33 1y9j s VAL 87 CO -0.06 0.00 0.92 -0.32 -0.31 0.00 0.00 175.10 175.33 1y9j s MET 88 N -3.69 4.57 -0.11 4.82 1.75 -1.26 -2.57 119.30 122.80 1y9j s MET 88 Ca 0.40 1.29 -0.03 0.00 -1.25 0.00 0.00 55.69 56.11 1y9j s MET 88 Cb 0.04 -2.83 -0.04 0.00 2.84 0.00 0.00 34.83 34.84 1y9j s MET 88 CO 0.22 0.30 2.61 -0.35 -0.65 0.00 0.00 175.02 177.16 1y9j n PRO 89 N 0.62 1.63 -2.01 4.11 -0.04 -1.26 -4.60 135.00 133.45 1y9j n PRO 89 Ca 0.01 -0.88 -0.32 0.00 -0.04 0.00 0.00 63.50 62.28 1y9j n PRO 89 Cb 0.50 -1.56 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 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 -0.37 4.31 0.23 0.52 -4.23 -1.26 -4.71 115.64 110.12 1y9j s THR 90 Ca 0.34 0.93 -0.16 0.00 -1.18 0.00 0.00 61.69 61.62 1y9j s THR 90 Cb 0.19 -3.61 0.25 0.00 1.34 0.00 0.00 72.50 70.67 1y9j s THR 90 CO -0.03 -0.80 1.57 -0.33 -0.54 0.00 0.00 174.62 174.49 1y9j h GLU 91 N 0.15 -0.05 -0.78 3.99 5.08 -2.00 0.38 114.58 121.36 1y9j h GLU 91 Ca -0.45 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.87 1y9j h GLU 91 Cb 1.20 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 1y9j h GLU 91 CO 0.60 -0.03 0.32 1.05 -1.00 0.00 0.00 179.01 179.95 1y9j h GLU 92 N -0.05 1.16 0.01 2.33 4.11 -1.95 -2.84 114.58 117.35 1y9j h GLU 92 Ca 0.34 -0.20 -0.00 0.00 0.07 0.00 0.00 59.36 59.56 1y9j h GLU 92 Cb 0.60 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1y9j h GLU 92 CO -0.87 0.93 -0.01 -0.91 0.07 0.00 0.00 179.01 178.23 1y9j h ASN 93 N 1.13 -0.02 -0.93 3.06 2.35 -0.69 -2.03 115.58 118.45 1y9j h ASN 93 Ca 0.26 -0.07 0.25 0.00 -0.55 0.00 0.00 56.30 56.19 1y9j h ASN 93 Cb 0.20 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.52 1y9j h ASN 93 CO -0.02 0.06 0.64 0.40 -1.65 0.00 0.00 177.43 176.86 1y9j h ILE 94 N -0.09 0.58 0.00 2.81 1.08 -0.36 0.91 117.51 122.44 1y9j h ILE 94 Ca -0.00 -0.06 -0.10 0.00 -0.39 0.00 0.00 64.86 64.31 1y9j h ILE 94 Cb 0.09 0.38 -0.01 0.00 -3.07 0.00 0.00 36.82 34.21 1y9j h ILE 94 CO 0.00 0.03 -0.48 -0.78 -0.69 0.00 0.00 178.15 176.24 1y9j h ASP 95 N 0.18 0.00 1.23 1.72 3.58 -1.14 -2.99 116.42 119.00 1y9j h ASP 95 Ca 0.47 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.80 1y9j h ASP 95 Cb 1.54 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.58 1y9j h ASP 95 CO -0.10 0.48 -0.55 0.03 -2.88 0.00 0.00 179.24 176.21 1y9j h ARG 96 N 0.00 0.00 -0.24 0.28 -0.00 0.13 -2.50 114.38 112.04 1y9j h ARG 96 Ca -0.00 0.00 -0.19 0.00 -0.50 0.00 0.00 59.98 59.28 1y9j h ARG 96 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.02 1y9j h ARG 96 CO 0.06 0.55 -0.61 -0.07 0.00 0.00 0.00 179.97 179.90 1y9j h LEU 97 N 0.00 0.93 -0.94 3.04 -0.00 -1.19 -0.28 115.31 116.87 1y9j h LEU 97 Ca -0.01 -0.53 -0.04 0.00 -0.00 0.00 0.00 57.88 57.31 1y9j h LEU 97 Cb 1.32 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 41.70 1y9j h LEU 97 CO 0.07 1.32 -0.19 0.00 -0.00 0.00 0.00 178.44 179.64 1y9j h GLN 99 N 0.00 0.09 -0.00 0.00 1.08 -1.21 -2.81 115.11 112.25 1y9j h GLN 99 Ca -0.00 -0.15 -0.13 0.00 -1.45 0.00 0.00 58.65 56.92 1y9j h GLN 99 Cb 0.80 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 28.27 1y9j h GLN 99 CO 0.03 1.07 -0.62 0.38 -0.95 0.00 0.00 178.83 178.74 1y9j h ASP 100 N -0.81 0.01 0.26 1.46 3.04 -1.07 0.00 116.42 119.31 1y9j h ASP 100 Ca -0.09 -0.00 -0.16 0.00 -3.24 0.00 0.00 57.03 53.53 1y9j h ASP 100 Cb 1.24 -0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.52 1y9j h ASP 100 CO 0.02 0.62 -0.64 -0.07 -2.04 0.00 0.00 179.24 177.12 1y9j h LEU 101 N 0.00 0.42 0.04 0.15 3.38 -1.15 -2.40 115.31 115.76 1y9j h LEU 101 Ca -0.01 -0.25 -0.26 0.00 0.09 0.00 0.00 57.88 57.45 1y9j h LEU 101 Cb 1.09 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1y9j h LEU 101 CO 0.08 0.95 -1.31 0.03 0.09 0.00 0.00 178.44 178.29 1y9j h ARG 102 N 0.27 0.09 0.00 1.13 3.08 -1.39 -3.28 114.38 114.28 1y9j h ARG 102 Ca -0.01 -0.16 -0.05 0.00 0.07 0.00 0.00 59.98 59.83 1y9j h ARG 102 Cb 1.19 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.29 1y9j h ARG 102 CO 0.11 0.95 -0.24 -0.91 -1.07 0.00 0.00 179.97 178.81 1y9j h ASN 103 N 0.02 0.00 -5.12 7.04 2.35 -0.97 -3.47 115.58 115.43 1y9j h ASN 103 Ca -0.14 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.28 1y9j h ASN 103 Cb 1.90 0.00 0.12 0.00 0.05 0.00 0.00 38.32 40.40 1y9j h ASN 103 CO 0.14 0.24 -0.59 0.00 -1.65 0.00 0.00 177.43 175.57 1y9j n GLN 104 N -3.45 -6.66 0.20 0.81 6.02 -0.91 -4.90 117.38 108.49 1y9j n GLN 104 Ca -0.00 0.71 0.05 0.00 -0.01 0.00 0.00 57.00 57.74 1y9j n GLN 104 Cb 0.42 -5.38 0.40 0.00 1.02 0.00 0.00 30.24 26.70 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 -2.22 0.00 -7.88 1.08 3.38 -1.89 -3.38 115.31 104.39 1y9j h LEU 105 Ca -0.49 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.32 1y9j h LEU 105 Cb 1.31 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.85 1y9j h LEU 105 CO 0.47 0.35 -0.61 -0.31 0.09 0.00 0.00 178.44 178.43 1y9j s TYR 106 N -3.94 0.17 0.07 1.13 1.51 -1.26 0.23 117.35 115.26 1y9j s TYR 106 Ca -0.02 -0.37 -0.22 0.00 -1.01 0.00 0.00 57.07 55.46 1y9j s TYR 106 Cb 0.13 -0.13 -0.13 0.00 -0.11 0.00 0.00 41.96 41.72 1y9j s TYR 106 CO 0.69 -0.23 1.60 1.49 -1.11 0.00 0.00 175.55 177.99 1y9j h GLU 107 N 4.50 0.14 -6.22 -0.62 4.22 -1.21 -3.45 114.58 111.94 1y9j h GLU 107 Ca -0.31 -0.03 -0.50 0.00 0.08 0.00 0.00 59.36 58.60 1y9j h GLU 107 Cb 1.20 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 1y9j h GLU 107 CO 0.41 0.26 -0.32 -1.12 -2.18 0.00 0.00 179.01 176.06 1y9j s SER 108 N -5.48 5.06 -0.42 1.04 0.01 -1.26 -4.05 113.70 108.59 1y9j s SER 108 Ca -0.14 -0.80 0.08 0.00 1.31 0.00 0.00 55.95 56.41 1y9j s SER 108 Cb 0.06 -0.33 0.30 0.00 0.21 0.00 0.00 66.02 66.26 1y9j s SER 108 CO 0.69 -0.82 0.82 -1.22 0.41 0.00 0.00 173.24 173.12 1y9j n TYR 109 N -1.70 -1.49 -1.62 2.43 4.01 -0.68 -2.53 117.16 115.59 1y9j n TYR 109 Ca 0.05 -2.89 -0.15 0.00 -0.16 0.00 0.00 57.90 54.75 1y9j n TYR 109 Cb 0.62 0.56 -0.07 0.00 -0.31 0.00 0.00 39.34 40.14 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 -0.79 1.20 0.45 -0.72 6.14 0.24 -3.02 117.35 120.85 1y9j s TYR 110 Ca 0.32 1.86 -0.20 0.00 0.64 0.00 0.00 57.07 59.70 1y9j s TYR 110 Cb 0.27 -3.49 -0.10 0.00 0.42 0.00 0.00 41.96 39.05 1y9j s TYR 110 CO -0.11 -1.58 0.96 -0.51 0.64 0.00 0.00 175.55 174.95 1y9j s LEU 111 N 14.36 3.87 -0.23 6.97 1.43 0.10 0.16 118.68 145.34 1y9j s LEU 111 Ca 0.90 1.68 -0.05 0.00 -1.03 0.00 0.00 54.13 55.64 1y9j s LEU 111 Cb -0.12 -4.53 0.12 0.00 0.03 0.00 0.00 46.19 41.68 1y9j s LEU 111 CO 0.07 -0.43 0.43 0.21 0.23 0.00 0.00 176.35 176.86 1y9j s ASN 112 N -2.35 -0.20 -0.08 2.29 3.84 0.07 0.10 114.94 118.62 1y9j s ASN 112 Ca 0.62 0.67 -0.14 0.00 0.21 0.00 0.00 52.86 54.21 1y9j s ASN 112 Cb -0.10 1.38 -0.05 0.00 -0.55 0.00 0.00 41.25 41.94 1y9j s ASN 112 CO 0.17 -0.26 0.37 -0.36 -2.79 0.00 0.00 177.10 174.22 1y9j s PHE 113 N 2.62 3.60 0.02 0.43 0.08 -1.19 0.11 117.98 123.65 1y9j s PHE 113 Ca 0.07 0.82 0.10 0.00 0.12 0.00 0.00 56.93 58.04 1y9j s PHE 113 Cb -0.14 -2.32 -0.14 0.00 -0.57 0.00 0.00 43.02 39.85 1y9j s PHE 113 CO -0.15 0.45 1.25 0.82 -0.10 0.00 0.00 175.22 177.49 1y9j h ILE 114 N 4.19 1.37 -1.90 0.64 1.08 -1.84 -3.36 117.51 117.70 1y9j h ILE 114 Ca -0.47 -2.99 -0.51 0.00 -0.39 0.00 0.00 64.86 60.50 1y9j h ILE 114 Cb 1.20 2.67 -0.05 0.00 -3.07 0.00 0.00 36.82 37.56 1y9j h ILE 114 CO 0.68 0.78 -0.49 -0.55 -0.69 0.00 0.00 178.15 177.88 1y9j s SER 115 N -6.55 5.13 -0.98 1.72 0.15 -1.26 -1.94 113.70 109.96 1y9j s SER 115 Ca 0.01 -0.55 -0.23 0.00 0.70 0.00 0.00 55.95 55.88 1y9j s SER 115 Cb 0.09 -0.95 0.03 0.00 -1.71 0.00 0.00 66.02 63.49 1y9j s SER 115 CO 0.80 -0.30 1.53 0.00 1.20 0.00 0.00 173.24 176.47 1y9j s ALA 116 N -2.32 2.54 0.74 5.45 0.00 -1.26 -4.73 121.76 122.18 1y9j s ALA 116 Ca 0.39 -2.08 -0.11 0.00 0.00 0.00 0.00 51.96 50.16 1y9j s ALA 116 Cb -0.05 -4.52 0.04 0.00 0.00 0.00 0.00 23.12 18.59 1y9j s ALA 116 CO 0.25 -3.80 1.08 -1.50 0.00 0.00 0.00 175.76 171.79 1y9j s ILE 117 N 5.88 3.62 0.19 0.00 2.07 -1.26 -5.06 121.20 126.63 1y9j s ILE 117 Ca 0.50 0.53 0.06 0.00 -1.41 0.00 0.00 60.65 60.32 1y9j s ILE 117 Cb -0.02 -3.16 -0.04 0.00 0.13 0.00 0.00 42.46 39.38 1y9j s ILE 117 CO -0.07 -0.69 0.16 -0.44 -1.91 0.00 0.00 174.94 171.99 1y9j s SER 118 N -3.63 5.55 0.49 4.50 0.01 -1.26 -4.94 113.70 114.41 1y9j s SER 118 Ca 0.60 -0.15 0.28 0.00 1.31 0.00 0.00 55.95 57.99 1y9j s SER 118 Cb -0.15 -1.45 1.36 0.00 0.21 0.00 0.00 66.02 65.99 1y9j s SER 118 CO 0.55 0.04 1.82 0.03 0.41 0.00 0.00 173.24 176.09 1y9j h ARG 119 N 2.13 0.15 0.41 12.44 3.08 -1.98 0.39 114.38 131.00 1y9j h ARG 119 Ca -0.48 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.54 1y9j h ARG 119 Cb 1.21 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1y9j h ARG 119 CO 0.63 0.10 -0.19 0.66 -1.07 0.00 0.00 179.97 180.09 1y9j h SER 120 N 0.15 -0.46 -0.22 7.04 4.64 -2.00 -1.47 113.55 121.24 1y9j h SER 120 Ca 0.53 -0.12 -0.03 0.00 -0.47 0.00 0.00 61.79 61.71 1y9j h SER 120 Cb 1.81 0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 64.00 1y9j h SER 120 CO -0.11 -0.06 0.07 0.11 -0.87 0.00 0.00 176.83 175.97 1y9j h LYS 121 N -0.95 0.42 -0.50 4.77 1.57 -1.59 -2.31 116.57 117.98 1y9j h LYS 121 Ca -0.06 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.61 1y9j h LYS 121 Cb 0.55 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1y9j h LYS 121 CO 0.09 0.39 0.11 -0.07 -0.57 0.00 0.00 179.45 179.40 1y9j h LEU 122 N 0.42 0.77 -1.52 2.94 3.38 -0.26 -2.46 115.31 118.58 1y9j h LEU 122 Ca 0.10 -0.24 0.08 0.00 0.09 0.00 0.00 57.88 57.91 1y9j h LEU 122 Cb 0.16 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1y9j h LEU 122 CO -0.00 0.81 0.43 -0.33 0.09 0.00 0.00 178.44 179.44 1y9j h GLU 123 N 0.69 0.55 -0.07 1.13 5.08 -0.69 0.32 114.58 121.58 1y9j h GLU 123 Ca 0.15 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1y9j h GLU 123 Cb 0.35 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1y9j h GLU 123 CO 0.00 0.36 0.00 -0.44 -1.00 0.00 0.00 179.01 177.94 1y9j h ASP 124 N 0.56 -0.03 0.19 1.42 3.32 -1.26 1.07 116.42 121.70 1y9j h ASP 124 Ca 0.29 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.35 1y9j h ASP 124 Cb 0.41 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1y9j h ASP 124 CO -0.09 -0.00 -0.09 0.40 -1.72 0.00 0.00 179.24 177.74 1y9j h ILE 125 N 0.03 0.91 -0.54 0.35 5.03 -1.17 0.85 117.51 122.96 1y9j h ILE 125 Ca 0.03 -0.85 0.10 0.00 -0.12 0.00 0.00 64.86 64.02 1y9j h ILE 125 Cb 0.04 1.39 -0.08 0.00 -3.03 0.00 0.00 36.82 35.14 1y9j h ILE 125 CO -0.06 0.18 0.11 0.00 -0.68 0.00 0.00 178.15 177.71 1y9j h ALA 126 N -0.03 0.63 -0.01 1.87 0.00 -0.34 0.10 119.26 121.48 1y9j h ALA 126 Ca -0.03 0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1y9j h ALA 126 Cb 0.49 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1y9j h ALA 126 CO 0.04 -0.30 -0.61 -0.91 0.00 0.00 0.00 179.25 177.47 1y9j h ASN 127 N 0.25 0.03 -1.00 0.00 2.35 0.12 -2.77 115.58 114.56 1y9j h ASN 127 Ca 0.28 -0.02 0.29 0.00 -0.55 0.00 0.00 56.30 56.29 1y9j h ASN 127 Cb 0.39 -0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.70 1y9j h ASN 127 CO -0.36 0.63 0.71 0.00 -1.65 0.00 0.00 177.43 176.77 1y9j h ALA 128 N 1.37 2.87 0.11 -0.83 0.00 0.34 0.29 119.26 123.40 1y9j h ALA 128 Ca -0.01 -0.03 -0.32 0.00 0.00 0.00 0.00 54.91 54.55 1y9j h ALA 128 Cb 1.08 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1y9j h ALA 128 CO 0.08 -1.16 -1.70 0.00 0.00 0.00 0.00 179.25 176.46 1y9j h ALA 129 N 1.51 0.37 -1.23 0.00 0.00 -1.20 -3.34 119.26 115.38 1y9j h ALA 129 Ca 0.48 -1.24 0.36 0.00 0.00 0.00 0.00 54.91 54.51 1y9j h ALA 129 Cb 1.85 0.44 -0.05 0.00 0.00 0.00 0.00 17.79 20.04 1y9j h ALA 129 CO -0.03 1.24 0.93 -0.07 0.00 0.00 0.00 179.25 181.32 1y9j h LEU 130 N 0.06 0.00 -0.43 0.00 -0.00 -0.29 1.89 115.31 116.55 1y9j h LEU 130 Ca -0.31 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.49 1y9j h LEU 130 Cb 2.03 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.68 1y9j h LEU 130 CO 0.13 0.00 -0.04 0.00 -0.00 0.00 0.00 178.44 178.53 1y9j h ALA 131 N 1.29 0.59 -0.01 1.53 0.00 -1.63 -3.19 119.26 117.84 1y9j h ALA 131 Ca 0.58 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1y9j h ALA 131 Cb 2.44 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 20.07 1y9j h ALA 131 CO -0.01 0.42 -0.42 0.00 0.00 0.00 0.00 179.25 179.24 1y9j n ALA 132 N -2.44 3.39 -3.36 0.00 0.00 0.17 -5.00 120.51 113.28 1y9j n ALA 132 Ca -0.00 -0.58 -0.16 0.00 0.00 0.00 0.00 53.44 52.69 1y9j n ALA 132 Cb 0.33 -0.66 0.08 0.00 0.00 0.00 0.00 19.45 19.20 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 -0.15 -3.30 -4.79 0.00 3.02 0.59 -5.00 115.26 105.64 1y9j n ASN 133 Ca 0.08 -0.63 -0.36 0.00 -0.03 0.00 0.00 54.58 53.63 1y9j n ASN 133 Cb 0.39 -5.08 -0.07 0.00 -0.61 0.00 0.00 39.78 34.41 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 -3.36 3.66 -0.21 5.41 0.00 -1.16 -5.01 121.76 121.09 1y9j s ALA 134 Ca 0.13 -0.70 -0.29 0.00 0.00 0.00 0.00 51.96 51.10 1y9j s ALA 134 Cb -0.02 -1.85 -0.03 0.00 0.00 0.00 0.00 23.12 21.22 1y9j s ALA 134 CO 0.72 0.52 1.63 0.08 0.00 0.00 0.00 175.76 178.71 1y9j s VAL 135 N -0.72 3.68 0.16 0.00 1.01 -1.26 -4.79 120.40 118.48 1y9j s VAL 135 Ca 0.13 0.76 0.04 0.00 0.00 0.00 0.00 61.98 62.91 1y9j s VAL 135 Cb -0.12 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 1y9j s VAL 135 CO 0.03 -0.27 -0.08 0.42 0.00 0.00 0.00 175.10 175.19 1y9j s THR 136 N 5.18 1.13 -0.24 3.92 -4.23 -1.26 -1.69 115.64 118.45 1y9j s THR 136 Ca 0.72 -2.05 -0.07 0.00 -1.18 0.00 0.00 61.69 59.11 1y9j s THR 136 Cb -0.26 -1.94 0.11 0.00 1.34 0.00 0.00 72.50 71.76 1y9j s THR 136 CO 0.29 -0.67 0.49 0.00 -0.54 0.00 0.00 174.62 174.19 1y9j s GLN 137 N -3.77 0.41 -0.63 3.99 -2.07 -1.17 -4.97 119.66 111.45 1y9j s GLN 137 Ca 0.19 1.10 -0.24 0.00 -1.82 0.00 0.00 55.36 54.59 1y9j s GLN 137 Cb 0.03 0.41 0.06 0.00 -1.09 0.00 0.00 33.01 32.42 1y9j s GLN 137 CO 0.02 -0.30 0.99 0.08 -1.32 0.00 0.00 175.29 174.75 1y9j s VAL 138 N 2.70 4.29 1.41 3.63 1.01 -1.26 0.00 120.40 132.18 1y9j s VAL 138 Ca 0.00 -0.07 -0.24 0.00 0.00 0.00 0.00 61.98 61.68 1y9j s VAL 138 Cb -0.13 -4.66 0.36 0.00 0.00 0.00 0.00 36.38 31.96 1y9j s VAL 138 CO -0.15 -1.38 0.96 0.00 0.00 0.00 0.00 175.10 174.53 1y9j s ALA 139 N 4.19 -0.45 0.77 5.51 0.00 0.28 -4.94 121.76 127.11 1y9j s ALA 139 Ca 0.26 -0.95 -0.12 0.00 0.00 0.00 0.00 51.96 51.15 1y9j s ALA 139 Cb -0.15 -2.88 0.05 0.00 0.00 0.00 0.00 23.12 20.15 1y9j s ALA 139 CO 0.14 -4.49 1.11 0.15 0.00 0.00 0.00 175.76 172.67 1y9j s LYS 140 N -5.25 2.31 -0.06 0.00 1.02 -1.26 -4.43 119.74 112.06 1y9j s LYS 140 Ca 0.70 0.49 -0.01 0.00 0.02 0.00 0.00 55.97 57.17 1y9j s LYS 140 Cb -0.10 -1.96 -0.03 0.00 -0.52 0.00 0.00 37.83 35.22 1y9j s LYS 140 CO 0.57 -1.43 0.00 0.08 -0.92 0.00 0.00 175.35 173.65 1y9j s VAL 141 N -3.29 4.29 -0.13 3.17 1.01 -1.26 -4.37 120.40 119.82 1y9j s VAL 141 Ca 0.60 -0.34 -0.07 0.00 0.00 0.00 0.00 61.98 62.18 1y9j s VAL 141 Cb -0.13 -2.83 -0.06 0.00 0.00 0.00 0.00 36.38 33.36 1y9j s VAL 141 CO 0.53 0.54 -0.17 2.22 0.00 0.00 0.00 175.10 178.22 1y9j n PHE 142 N 1.93 0.00 0.12 5.22 -1.74 -1.26 -4.58 117.46 117.14 1y9j n PHE 142 Ca -0.17 0.00 0.06 0.00 -0.56 0.00 0.00 57.45 56.78 1y9j n PHE 142 Cb 0.53 -0.48 0.33 0.00 1.52 0.00 0.00 39.48 41.38 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 -3.59 0.31 0.22 5.98 -0.08 -1.18 -2.17 116.55 116.04 1y9j n ASP 143 Ca -0.26 0.57 0.17 0.00 -1.51 0.00 0.00 54.79 53.76 1y9j n ASP 143 Cb 0.69 -0.57 0.85 0.00 2.34 0.00 0.00 41.12 44.42 1y9j n ASP 143 CO 0.00 0.00 0.00 0.06 0.12 0.00 0.00 177.20 177.38 1y9j h GLN 144 N 0.00 0.00 0.00 -0.67 3.07 -1.64 -2.02 115.11 113.85 1y9j h GLN 144 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1y9j h GLN 144 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.87 1y9j h GLN 144 CO 0.00 0.00 -0.44 2.48 0.09 0.00 0.00 178.83 180.96 1y9j n TYR 145 N -3.70 0.00 -4.04 0.06 4.11 -0.92 -4.94 117.16 107.73 1y9j n TYR 145 Ca 0.01 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.78 1y9j n TYR 145 Cb 0.32 -0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.62 1y9j n TYR 145 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.86 178.33 1y9j n LEU 146 N -1.22 0.00 0.00 -3.48 -0.00 -0.76 -5.20 117.00 106.34 1y9j n LEU 146 Ca 0.02 -2.45 0.00 0.00 -0.00 0.00 0.00 56.01 53.58 1y9j n LEU 146 Cb 0.14 1.96 0.00 0.00 -0.00 0.00 0.00 43.42 45.52 1y9j n LEU 146 CO 0.18 -0.52 0.00 -3.20 -0.00 0.00 0.00 177.39 173.85