#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 0.15 0.00 0.00 0.02 -2.05 1.18 113.55 112.85 1y9j h SER 9 Ca 0.00 0.07 -0.15 0.00 -0.84 0.00 0.00 61.79 60.87 1y9j h SER 9 Cb 0.00 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1y9j h SER 9 CO 0.00 -0.07 -0.87 0.40 -1.14 0.00 0.00 176.83 175.15 1y9j h ILE 10 N 0.08 1.00 -0.25 3.27 5.03 -2.00 -3.13 117.51 121.51 1y9j h ILE 10 Ca 0.78 -2.07 0.05 0.00 -0.12 0.00 0.00 64.86 63.50 1y9j h ILE 10 Cb 2.72 2.21 -0.01 0.00 -3.03 0.00 0.00 36.82 38.71 1y9j h ILE 10 CO -0.22 0.34 0.17 -0.09 -0.68 0.00 0.00 178.15 177.67 1y9j h ARG 11 N -1.00 0.12 0.35 2.37 9.65 -1.43 -1.68 114.38 122.76 1y9j h ARG 11 Ca -0.23 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.63 1y9j h ARG 11 Cb 1.12 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.68 1y9j h ARG 11 CO -0.14 0.08 -0.17 1.05 2.80 0.00 0.00 179.97 183.59 1y9j h GLU 12 N 0.12 -0.46 -0.73 0.20 -0.00 0.12 -2.95 114.58 110.88 1y9j h GLU 12 Ca 0.11 0.03 0.20 0.00 -0.00 0.00 0.00 59.36 59.70 1y9j h GLU 12 Cb 0.29 0.10 -0.04 0.00 -0.00 0.00 0.00 28.75 29.11 1y9j h GLU 12 CO -0.01 -0.14 0.52 0.07 -0.00 0.00 0.00 179.01 179.45 1y9j h ARG 13 N -0.85 0.09 -0.12 1.06 -0.00 -1.35 0.58 114.38 113.80 1y9j h ARG 13 Ca -0.05 -0.01 0.02 0.00 -0.00 0.00 0.00 59.98 59.95 1y9j h ARG 13 Cb 0.53 -0.02 -0.02 0.00 -0.00 0.00 0.00 29.97 30.46 1y9j h ARG 13 CO 0.08 0.06 -0.02 1.96 -0.00 0.00 0.00 179.97 182.05 1y9j h GLN 14 N 0.10 0.02 0.00 0.08 4.20 -1.16 -1.71 115.11 116.64 1y9j h GLN 14 Ca 0.36 -0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.99 1y9j h GLN 14 Cb 1.27 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.03 1y9j h GLN 14 CO -0.04 0.01 -0.37 1.79 -0.67 0.00 0.00 178.83 179.55 1y9j h THR 15 N 0.02 1.15 0.04 -0.54 1.35 -0.84 -3.08 112.91 111.01 1y9j h THR 15 Ca 0.06 -1.34 0.02 0.00 -0.55 0.00 0.00 66.41 64.60 1y9j h THR 15 Cb 0.08 1.74 -0.05 0.00 -1.73 0.00 0.00 68.15 68.19 1y9j h THR 15 CO -0.11 0.37 -0.49 0.58 -0.25 0.00 0.00 175.52 175.62 1y9j h VAL 16 N 0.00 0.06 -0.89 6.82 2.07 -0.29 1.39 116.25 125.41 1y9j h VAL 16 Ca -0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1y9j h VAL 16 Cb 0.71 0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 1y9j h VAL 16 CO 0.05 0.00 0.59 0.00 0.02 0.00 0.00 177.57 178.23 1y9j h ALA 17 N -0.29 1.37 0.23 1.67 0.00 -1.53 -1.68 119.26 119.02 1y9j h ALA 17 Ca 0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1y9j h ALA 17 Cb 0.71 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1y9j h ALA 17 CO -0.32 0.58 -0.11 -0.07 0.00 0.00 0.00 179.25 179.33 1y9j h LEU 18 N 1.20 -0.26 -0.94 0.00 3.38 -1.13 -2.70 115.31 114.85 1y9j h LEU 18 Ca 0.33 0.01 0.26 0.00 0.09 0.00 0.00 57.88 58.57 1y9j h LEU 18 Cb -0.12 0.07 -0.14 0.00 0.09 0.00 0.00 40.66 40.56 1y9j h LEU 18 CO -0.08 -0.14 0.42 0.11 0.09 0.00 0.00 178.44 178.85 1y9j h LYS 19 N -0.40 0.32 -0.06 1.13 1.57 0.18 0.77 116.57 120.08 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 0.23 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1y9j h LYS 19 CO 0.05 0.21 -0.02 0.00 -0.57 0.00 0.00 179.45 179.12 1y9j h ARG 20 N 0.33 -0.01 0.00 3.15 3.08 -1.34 1.29 114.38 120.88 1y9j h ARG 20 Ca 0.63 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.68 1y9j h ARG 20 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.37 1y9j h ARG 20 CO -0.60 -0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.30 1y9j h MET 21 N -0.01 0.00 0.00 0.04 -0.00 -0.58 0.47 114.93 114.86 1y9j h MET 21 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.73 1y9j h MET 21 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.65 1y9j h MET 21 CO -0.07 0.00 -1.06 1.28 -0.00 0.00 0.00 176.91 177.06 1y9j n LEU 22 N -2.43 0.92 0.00 -0.10 4.77 0.24 -4.66 117.00 115.74 1y9j n LEU 22 Ca 0.05 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.57 1y9j n LEU 22 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1y9j n LEU 22 CO 0.30 0.23 -0.31 0.59 -1.33 0.00 0.00 177.39 176.87 1y9j n ASN 23 N -1.55 2.51 -4.53 -1.43 3.02 0.44 -4.82 115.26 108.89 1y9j n ASN 23 Ca 0.03 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.17 1y9j n ASN 23 Cb 0.34 0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.50 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 -1.62 2.47 0.28 3.10 5.36 0.17 -5.00 117.98 122.75 1y9j s PHE 24 Ca 0.00 -0.09 -0.29 0.00 -0.96 0.00 0.00 56.93 55.59 1y9j s PHE 24 Cb 0.00 -4.48 -0.10 0.00 -0.34 0.00 0.00 43.02 38.10 1y9j s PHE 24 CO 0.00 -1.83 1.17 0.54 -1.46 0.00 0.00 175.22 173.64 1y9j s ASN 25 N 3.52 7.11 0.43 6.13 4.22 -1.26 -4.62 114.94 130.47 1y9j s ASN 25 Ca 0.33 2.39 -0.08 0.00 -2.14 0.00 0.00 52.86 53.36 1y9j s ASN 25 Cb -0.10 -2.63 -0.05 0.00 1.28 0.00 0.00 41.25 39.74 1y9j s ASN 25 CO 0.16 -0.27 0.76 0.68 -2.04 0.00 0.00 177.10 176.38 1y9j s VAL 26 N -1.04 4.86 -0.58 3.54 -7.23 -1.26 -4.94 120.40 113.75 1y9j s VAL 26 Ca 0.47 0.38 -0.35 0.00 -1.81 0.00 0.00 61.98 60.67 1y9j s VAL 26 Cb -0.34 -3.79 -0.15 0.00 0.56 0.00 0.00 36.38 32.66 1y9j s VAL 26 CO 0.44 -0.64 2.35 -2.65 -0.31 0.00 0.00 175.10 174.29 1y9j n PRO 27 N -1.68 0.56 -4.49 4.82 -0.02 -1.26 -4.92 135.00 128.01 1y9j n PRO 27 Ca 0.01 0.11 -0.25 0.00 -2.02 0.00 0.00 63.50 61.35 1y9j n PRO 27 Cb 0.54 -2.15 -0.10 0.00 -0.02 0.00 0.00 33.50 31.77 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 8.24 2.33 -0.36 6.00 2.46 -1.26 -5.07 115.29 127.63 1y9j s HIS 28 Ca 1.17 -0.38 -0.28 0.00 0.47 0.00 0.00 55.06 56.05 1y9j s HIS 28 Cb -1.00 -1.11 -0.02 0.00 -0.13 0.00 0.00 32.58 30.32 1y9j s HIS 28 CO 0.49 0.68 1.85 0.08 -2.47 0.00 0.00 174.74 175.37 1y9j s VAL 29 N -2.53 3.42 -0.22 0.89 1.01 -1.26 -4.97 120.40 116.73 1y9j s VAL 29 Ca 0.31 0.40 -0.05 0.00 0.00 0.00 0.00 61.98 62.64 1y9j s VAL 29 Cb -0.03 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 1y9j s VAL 29 CO 0.16 -0.44 -0.02 -0.54 0.00 0.00 0.00 175.10 174.26 1y9j s LYS 30 N 5.97 3.45 0.04 2.72 -0.14 -1.26 -4.98 119.74 125.54 1y9j s LYS 30 Ca 0.80 -0.59 0.04 0.00 -1.36 0.00 0.00 55.97 54.87 1y9j s LYS 30 Cb -0.22 -3.08 -0.24 0.00 -1.68 0.00 0.00 37.83 32.61 1y9j s LYS 30 CO 0.32 -0.18 0.97 -0.97 -0.76 0.00 0.00 175.35 174.73 1y9j h ASN 31 N 8.09 0.16 -2.59 2.83 -1.24 -1.99 -3.46 115.58 117.37 1y9j h ASN 31 Ca -0.40 -0.22 -0.05 0.00 0.71 0.00 0.00 56.30 56.34 1y9j h ASN 31 Cb 1.17 -0.05 -0.25 0.00 0.73 0.00 0.00 38.32 39.91 1y9j h ASN 31 CO 0.60 1.18 -0.26 -0.44 -1.29 0.00 0.00 177.43 177.22 1y9j s SER 32 N -6.68 -0.58 0.24 1.15 0.01 -1.26 -5.14 113.70 101.44 1y9j s SER 32 Ca -0.04 1.16 -0.31 0.00 1.31 0.00 0.00 55.95 58.07 1y9j s SER 32 Cb 0.08 1.45 -0.14 0.00 0.21 0.00 0.00 66.02 67.63 1y9j s SER 32 CO 0.84 -0.22 1.38 -2.65 0.41 0.00 0.00 173.24 172.99 1y9j n PRO 33 N 5.07 1.96 0.00 12.44 -0.02 -1.26 -3.59 135.00 149.59 1y9j n PRO 33 Ca -0.13 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1y9j n PRO 33 Cb 0.51 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 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 2.07 3.18 3.71 -1.23 0.00 -1.26 -5.10 105.19 106.56 1y9j n GLY 34 Ca 0.12 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 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 4.41 1.15 1.61 8.01 -1.24 -5.01 118.70 127.63 1y9j s GLU 35 Ca 0.00 1.76 -0.18 0.00 0.01 0.00 0.00 54.97 56.56 1y9j s GLU 35 Cb 0.00 -3.40 0.17 0.00 -4.31 0.00 0.00 34.13 26.58 1y9j s GLU 35 CO 0.00 -0.31 0.26 -2.30 0.01 0.00 0.00 175.26 172.92 1y9j n PRO 36 N 4.26 -2.10 -3.70 0.39 -0.02 -1.26 -4.97 135.00 127.60 1y9j n PRO 36 Ca 0.09 -0.60 -0.38 0.00 -2.02 0.00 0.00 63.50 60.60 1y9j n PRO 36 Cb 0.46 -1.77 -0.11 0.00 -0.02 0.00 0.00 33.50 32.06 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 -2.24 3.66 -0.22 -1.45 1.01 -1.26 -5.07 120.40 114.83 1y9j s VAL 37 Ca 0.57 -1.78 -0.29 0.00 0.00 0.00 0.00 61.98 60.48 1y9j s VAL 37 Cb -0.14 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.86 1y9j s VAL 37 CO 0.62 -0.61 1.14 0.26 0.00 0.00 0.00 175.10 176.51 1y9j s TRP 38 N 1.26 3.10 0.04 5.22 0.23 -1.26 -4.80 118.94 122.73 1y9j s TRP 38 Ca 0.05 1.23 0.06 0.00 -2.03 0.00 0.00 56.10 55.42 1y9j s TRP 38 Cb -0.23 -3.45 -0.02 0.00 0.03 0.00 0.00 33.47 29.80 1y9j s TRP 38 CO -0.02 -1.02 -0.17 -1.59 0.96 0.00 0.00 176.95 175.11 1y9j s LYS 39 N 3.43 1.16 0.46 4.98 -2.85 -0.81 -4.18 119.74 121.93 1y9j s LYS 39 Ca 0.49 -0.84 0.01 0.00 -1.00 0.00 0.00 55.97 54.62 1y9j s LYS 39 Cb -0.17 -1.22 0.00 0.00 -2.06 0.00 0.00 37.83 34.38 1y9j s LYS 39 CO 0.11 0.31 0.67 0.08 0.10 0.00 0.00 175.35 176.62 1y9j s VAL 40 N -0.81 3.71 -0.08 1.79 1.01 0.40 -1.99 120.40 124.42 1y9j s VAL 40 Ca 0.05 -0.59 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 1y9j s VAL 40 Cb -0.08 -3.36 0.03 0.00 0.00 0.00 0.00 36.38 32.96 1y9j s VAL 40 CO 0.01 -0.24 0.21 -0.22 0.00 0.00 0.00 175.10 174.86 1y9j s LEU 41 N -4.56 1.00 -0.26 3.92 2.96 -0.54 0.20 118.68 121.41 1y9j s LEU 41 Ca 0.50 0.42 0.00 0.00 -0.22 0.00 0.00 54.13 54.83 1y9j s LEU 41 Cb -0.10 0.67 0.07 0.00 0.50 0.00 0.00 46.19 47.34 1y9j s LEU 41 CO 0.37 -0.10 0.01 -0.63 -1.32 0.00 0.00 176.35 174.69 1y9j s ILE 42 N 0.45 1.26 0.25 6.68 -1.09 0.40 -2.79 121.20 126.36 1y9j s ILE 42 Ca -0.03 -1.25 0.09 0.00 -2.23 0.00 0.00 60.65 57.23 1y9j s ILE 42 Cb -0.04 -1.71 -0.04 0.00 -1.58 0.00 0.00 42.46 39.08 1y9j s ILE 42 CO -0.02 -0.31 0.01 -0.72 -1.23 0.00 0.00 174.94 172.67 1y9j s TYR 43 N 1.49 2.75 0.00 3.97 -0.85 -1.13 0.15 117.35 123.73 1y9j s TYR 43 Ca 0.01 -0.20 0.00 0.00 -0.52 0.00 0.00 57.07 56.35 1y9j s TYR 43 Cb -0.18 -1.24 0.00 0.00 0.38 0.00 0.00 41.96 40.92 1y9j s TYR 43 CO -0.11 0.60 0.00 -3.47 -1.52 0.00 0.00 175.55 171.04 1y9j n ASP 44 N -0.80 0.87 -0.33 -0.18 -0.08 -1.24 -3.11 116.55 111.67 1y9j n ASP 44 Ca -0.07 -0.93 0.15 0.00 -1.51 0.00 0.00 54.79 52.43 1y9j n ASP 44 Cb 0.58 0.00 0.38 0.00 2.34 0.00 0.00 41.12 44.42 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 0.63 0.13 -0.67 -0.00 -1.99 0.73 114.38 113.21 1y9j h ARG 45 Ca 0.00 -0.04 -0.24 0.00 -0.00 0.00 0.00 59.98 59.70 1y9j h ARG 45 Cb 0.00 -0.14 0.01 0.00 -0.00 0.00 0.00 29.97 29.84 1y9j h ARG 45 CO 0.00 0.42 -1.15 0.74 -0.00 0.00 0.00 179.97 179.98 1y9j h PHE 46 N 0.65 0.50 -0.93 4.08 -1.00 -1.94 -2.67 116.94 115.63 1y9j h PHE 46 Ca 0.57 -0.37 0.24 0.00 2.81 0.00 0.00 57.97 61.22 1y9j h PHE 46 Cb 1.03 -0.02 -0.13 0.00 3.61 0.00 0.00 35.95 40.45 1y9j h PHE 46 CO -0.00 1.44 0.45 0.78 -1.61 0.00 0.00 178.31 179.37 1y9j h GLY 47 N -0.14 1.67 2.00 -1.45 0.00 -1.44 0.93 103.07 104.64 1y9j h GLY 47 Ca -0.23 -0.21 -0.17 0.00 0.00 0.00 0.00 47.33 46.72 1y9j h GLY 47 CO 0.10 -0.28 -0.83 0.06 0.00 0.00 0.00 176.54 175.59 1y9j h GLN 48 N 0.43 0.00 0.00 4.80 3.07 -1.01 -0.18 115.11 122.23 1y9j h GLN 48 Ca 0.60 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.34 1y9j h GLN 48 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.71 1y9j h GLN 48 CO -0.53 0.83 0.00 -3.47 0.09 0.00 0.00 178.83 175.76 1y9j n ASP 49 N -3.47 0.18 0.00 0.06 -0.08 0.31 -1.96 116.55 111.59 1y9j n ASP 49 Ca -0.00 0.56 0.00 0.00 -1.51 0.00 0.00 54.79 53.84 1y9j n ASP 49 Cb 0.82 -0.59 0.00 0.00 2.34 0.00 0.00 41.12 43.69 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 -1.72 0.00 -0.14 5.18 5.41 -0.45 -4.59 119.36 123.06 1y9j n ILE 50 Ca 0.01 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.66 1y9j n ILE 50 Cb 0.10 -0.52 -0.01 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 1.25 0.43 1.39 2.10 -1.02 -3.24 117.51 118.42 1y9j h ILE 51 Ca 0.00 -0.93 -0.02 0.00 1.08 0.00 0.00 64.86 64.99 1y9j h ILE 51 Cb 0.98 1.09 0.00 0.00 -1.09 0.00 0.00 36.82 37.80 1y9j h ILE 51 CO 0.00 0.31 -0.21 -1.28 -1.08 0.00 0.00 178.15 175.90 1y9j h SER 52 N 0.51 -0.49 -0.69 2.19 0.87 -1.49 0.55 113.55 114.99 1y9j h SER 52 Ca 0.12 -0.03 0.20 0.00 -1.23 0.00 0.00 61.79 60.85 1y9j h SER 52 Cb 0.41 0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.47 1y9j h SER 52 CO 0.01 -0.29 0.79 -0.65 -0.53 0.00 0.00 176.83 176.17 1y9j h PRO 53 N -0.66 0.00 0.00 2.24 0.11 -1.76 0.33 132.00 132.26 1y9j h PRO 53 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1y9j h PRO 53 Cb 0.49 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.60 1y9j h PRO 53 CO 0.10 0.00 -0.15 1.28 -0.21 0.00 0.00 178.00 179.02 1y9j n LEU 54 N -3.49 1.55 -3.53 2.35 4.77 -1.07 -5.06 117.00 112.52 1y9j n LEU 54 Ca 0.15 -2.30 -0.10 0.00 -0.03 0.00 0.00 56.01 53.73 1y9j n LEU 54 Cb 1.03 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.83 1y9j n LEU 54 CO 0.26 0.54 0.70 -0.22 -1.33 0.00 0.00 177.39 177.33 1y9j s LEU 55 N -1.81 -0.39 0.41 2.23 0.20 0.19 -5.03 118.68 114.49 1y9j s LEU 55 Ca 0.19 0.20 0.04 0.00 0.69 0.00 0.00 54.13 55.25 1y9j s LEU 55 Cb 0.17 2.01 -0.02 0.00 -0.43 0.00 0.00 46.19 47.92 1y9j s LEU 55 CO 0.02 -0.53 0.15 -0.44 -0.29 0.00 0.00 176.35 175.26 1y9j s SER 56 N -1.90 2.80 0.04 3.68 0.01 -1.26 -3.83 113.70 113.24 1y9j s SER 56 Ca 0.01 -1.71 -0.23 0.00 1.31 0.00 0.00 55.95 55.34 1y9j s SER 56 Cb -0.01 0.56 -0.15 0.00 0.21 0.00 0.00 66.02 66.64 1y9j s SER 56 CO -0.04 -0.97 1.48 0.58 0.41 0.00 0.00 173.24 174.70 1y9j h VAL 57 N 1.77 1.24 -0.20 3.43 2.07 -1.98 0.13 116.25 122.71 1y9j h VAL 57 Ca -0.34 -0.76 -0.08 0.00 0.82 0.00 0.00 66.70 66.34 1y9j h VAL 57 Cb 1.27 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 1y9j h VAL 57 CO 0.54 0.21 -0.25 0.07 0.02 0.00 0.00 177.57 178.17 1y9j h LYS 58 N -0.11 0.37 -0.01 1.57 5.09 -1.99 -2.38 116.57 119.10 1y9j h LYS 58 Ca 0.03 -0.13 -0.18 0.00 0.09 0.00 0.00 60.65 60.45 1y9j h LYS 58 Cb 0.33 -0.03 -0.01 0.00 0.10 0.00 0.00 32.23 32.62 1y9j h LYS 58 CO 0.00 0.59 -0.81 0.93 -2.09 0.00 0.00 179.45 178.08 1y9j h GLU 59 N 0.33 0.20 -0.08 0.07 5.08 -1.94 -0.90 114.58 117.33 1y9j h GLU 59 Ca 0.05 -0.19 0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1y9j h GLU 59 Cb 0.62 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 1y9j h GLU 59 CO 0.04 0.90 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.79 1y9j h LEU 60 N 0.12 -0.29 -0.38 1.33 3.38 -0.24 0.85 115.31 120.08 1y9j h LEU 60 Ca -0.03 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1y9j h LEU 60 Cb 1.41 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 1y9j h LEU 60 CO 0.12 -0.13 -0.32 0.03 0.09 0.00 0.00 178.44 178.23 1y9j h ARG 61 N -0.12 0.00 0.00 1.13 2.47 -1.47 -2.78 114.38 113.60 1y9j h ARG 61 Ca 0.07 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 1y9j h ARG 61 Cb 0.22 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.54 1y9j h ARG 61 CO -0.16 0.32 0.00 0.22 0.56 0.00 0.00 179.97 180.92 1y9j h ASP 62 N 0.00 0.00 0.91 7.04 3.58 -0.38 -3.12 116.42 124.46 1y9j h ASP 62 Ca -0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 1y9j h ASP 62 Cb 1.10 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.15 1y9j h ASP 62 CO 0.04 0.00 -1.09 0.23 -2.88 0.00 0.00 179.24 175.54 1y9j n MET 63 N -2.46 0.61 0.00 0.28 2.81 0.22 -4.95 117.12 113.63 1y9j n MET 63 Ca 0.04 0.10 0.00 0.00 -1.81 0.00 0.00 57.70 56.03 1y9j n MET 63 Cb 0.39 -1.80 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 1y9j n MET 63 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1y9j n GLY 64 N 1.19 1.64 3.67 3.03 0.00 -1.18 -4.94 105.19 108.60 1y9j n GLY 64 Ca -0.00 0.00 -0.38 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 -1.97 5.23 -0.27 -0.61 2.07 -1.06 -1.93 121.20 122.66 1y9j s ILE 65 Ca 0.00 0.61 0.19 0.00 -1.41 0.00 0.00 60.65 60.04 1y9j s ILE 65 Cb 0.00 -3.69 0.14 0.00 0.13 0.00 0.00 42.46 39.04 1y9j s ILE 65 CO 0.00 0.27 1.39 0.00 -1.91 0.00 0.00 174.94 174.69 1y9j h THR 66 N 5.03 0.40 -1.29 4.00 1.03 -1.71 -3.42 112.91 116.96 1y9j h THR 66 Ca -0.36 -1.60 0.14 0.00 -0.01 0.00 0.00 66.41 64.58 1y9j h THR 66 Cb 1.16 2.12 -0.30 0.00 -1.07 0.00 0.00 68.15 70.06 1y9j h THR 66 CO 0.71 0.23 0.68 -0.22 -0.01 0.00 0.00 175.52 176.91 1y9j s LEU 67 N -6.17 -0.23 -0.03 0.00 1.98 -1.26 -5.02 118.68 107.96 1y9j s LEU 67 Ca 0.04 0.42 -0.01 0.00 -2.89 0.00 0.00 54.13 51.69 1y9j s LEU 67 Cb 0.07 1.42 0.03 0.00 0.66 0.00 0.00 46.19 48.37 1y9j s LEU 67 CO 0.73 -0.07 0.05 -1.38 -1.89 0.00 0.00 176.35 173.79 1y9j s HIS 68 N 0.33 0.01 0.28 5.38 -3.43 -1.26 -1.46 115.29 115.13 1y9j s HIS 68 Ca 0.03 0.21 -0.20 0.00 -0.80 0.00 0.00 55.06 54.30 1y9j s HIS 68 Cb -0.05 -0.27 0.02 0.00 -1.43 0.00 0.00 32.58 30.86 1y9j s HIS 68 CO -0.12 -0.12 0.68 -0.48 -2.00 0.00 0.00 174.74 172.70 1y9j s LEU 69 N 1.32 -0.17 0.02 5.38 -0.00 -1.12 -5.03 118.68 119.09 1y9j s LEU 69 Ca -0.06 -0.66 -0.26 0.00 -0.00 0.00 0.00 54.13 53.15 1y9j s LEU 69 Cb -0.13 2.59 -0.05 0.00 -0.00 0.00 0.00 46.19 48.60 1y9j s LEU 69 CO -0.03 -1.32 0.80 -0.76 -0.00 0.00 0.00 176.35 175.04 1y9j s LEU 70 N -2.94 4.41 0.61 1.48 1.43 -1.26 -2.82 118.68 119.59 1y9j s LEU 70 Ca 0.13 1.45 0.29 0.00 -1.03 0.00 0.00 54.13 54.97 1y9j s LEU 70 Cb -0.05 -3.28 1.51 0.00 0.03 0.00 0.00 46.19 44.39 1y9j s LEU 70 CO 0.07 -0.06 1.91 -0.07 0.23 0.00 0.00 176.35 178.43 1y9j h LEU 71 N 6.08 0.00 -3.65 1.79 4.07 -1.89 0.21 115.31 121.91 1y9j h LEU 71 Ca -0.43 0.00 -0.45 0.00 0.08 0.00 0.00 57.88 57.08 1y9j h LEU 71 Cb 1.21 0.00 -0.20 0.00 1.08 0.00 0.00 40.66 42.75 1y9j h LEU 71 CO 0.73 0.00 0.59 1.57 -1.08 0.00 0.00 178.44 180.24 1y9j n HIS 72 N -3.54 2.19 -3.89 1.13 -0.00 -1.26 -4.89 115.22 104.95 1y9j n HIS 72 Ca 0.06 -2.31 -0.08 0.00 0.46 0.00 0.00 57.72 55.85 1y9j n HIS 72 Cb 0.59 -1.12 -0.02 0.00 -0.12 0.00 0.00 29.99 29.32 1y9j n HIS 72 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1y9j n SER 73 N -0.18 -0.61 -4.57 0.26 7.64 0.72 -5.10 113.62 111.78 1y9j n SER 73 Ca 0.43 -1.99 -0.42 0.00 1.01 0.00 0.00 58.87 57.89 1y9j n SER 73 Cb 0.66 1.19 -0.03 0.00 -1.01 0.00 0.00 64.21 65.02 1y9j n SER 73 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1y9j s ASP 74 N -2.12 6.36 -0.00 6.43 1.01 -1.26 -4.96 116.67 122.13 1y9j s ASP 74 Ca 0.16 -0.07 -0.26 0.00 0.71 0.00 0.00 52.55 53.09 1y9j s ASP 74 Cb -0.00 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 1y9j s ASP 74 CO 0.11 -1.59 0.79 -0.13 0.21 0.00 0.00 175.17 174.57 1y9j s ARG 75 N 5.18 4.49 0.20 8.23 0.52 -1.26 -5.01 118.95 131.31 1y9j s ARG 75 Ca 0.40 1.08 -0.23 0.00 -0.52 0.00 0.00 55.73 56.47 1y9j s ARG 75 Cb -0.08 -3.41 -0.08 0.00 0.52 0.00 0.00 34.95 31.90 1y9j s ARG 75 CO 0.22 0.14 0.76 0.34 0.02 0.00 0.00 175.30 176.78 1y9j s ASP 76 N 0.47 7.23 -0.47 0.23 2.15 -1.26 -5.02 116.67 120.00 1y9j s ASP 76 Ca 0.41 1.55 -0.27 0.00 0.43 0.00 0.00 52.55 54.67 1y9j s ASP 76 Cb -0.20 -2.47 0.03 0.00 -0.30 0.00 0.00 42.92 39.98 1y9j s ASP 76 CO 0.22 0.10 1.04 -2.16 -0.17 0.00 0.00 175.17 174.20 1y9j s PRO 77 N -1.61 3.64 -0.43 4.34 0.04 -1.26 -4.85 135.00 134.87 1y9j s PRO 77 Ca 0.40 0.38 0.10 0.00 0.04 0.00 0.00 61.00 61.93 1y9j s PRO 77 Cb -0.20 -3.91 0.35 0.00 0.04 0.00 0.00 34.50 30.78 1y9j s PRO 77 CO 0.23 -1.30 0.81 -0.89 0.04 0.00 0.00 177.00 175.89 1y9j n ILE 78 N 6.63 0.81 0.32 0.56 -0.00 0.61 -4.92 119.36 123.38 1y9j n ILE 78 Ca 0.09 -4.81 0.17 0.00 -0.00 0.00 0.00 62.75 58.20 1y9j n ILE 78 Cb 0.49 -0.55 0.88 0.00 -0.00 0.00 0.00 39.64 40.45 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 2.99 0.00 -0.64 0.38 -0.00 -1.43 0.06 114.38 115.73 1y9j h ARG 79 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.08 1y9j h ARG 79 Cb 0.85 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.82 1y9j h ARG 79 CO 0.59 0.00 0.00 -3.47 -0.00 0.00 0.00 179.97 177.09 1y9j n ASP 80 N -2.98 2.56 -3.76 0.08 -0.08 -1.26 -2.03 116.55 109.08 1y9j n ASP 80 Ca -0.02 -2.26 -0.13 0.00 -1.51 0.00 0.00 54.79 50.88 1y9j n ASP 80 Cb 0.34 -0.45 -0.13 0.00 2.34 0.00 0.00 41.12 43.22 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 -1.69 -0.03 0.44 5.18 1.01 0.01 -4.94 120.40 120.37 1y9j s VAL 81 Ca 0.23 0.12 -0.25 0.00 0.00 0.00 0.00 61.98 62.08 1y9j s VAL 81 Cb 0.15 -0.29 -0.08 0.00 0.00 0.00 0.00 36.38 36.17 1y9j s VAL 81 CO 0.09 0.05 1.42 -2.84 0.00 0.00 0.00 175.10 173.83 1y9j s PRO 82 N 0.92 3.73 0.32 2.72 0.02 -1.26 -2.38 135.00 139.06 1y9j s PRO 82 Ca -0.07 2.40 0.10 0.00 0.02 0.00 0.00 61.00 63.45 1y9j s PRO 82 Cb -0.09 -2.68 -0.05 0.00 0.02 0.00 0.00 34.50 31.70 1y9j s PRO 82 CO -0.05 -0.78 -0.04 0.00 -0.33 0.00 0.00 177.00 175.80 1y9j s ALA 83 N -1.20 3.08 -0.41 -1.55 0.00 -0.90 0.15 121.76 120.93 1y9j s ALA 83 Ca 0.60 -1.93 0.02 0.00 0.00 0.00 0.00 51.96 50.65 1y9j s ALA 83 Cb -0.43 -0.36 0.15 0.00 0.00 0.00 0.00 23.12 22.47 1y9j s ALA 83 CO 0.56 0.13 0.26 0.08 0.00 0.00 0.00 175.76 176.79 1y9j s VAL 84 N -2.50 0.75 -1.16 0.00 1.01 0.54 0.10 120.40 119.14 1y9j s VAL 84 Ca 0.33 -2.30 -0.20 0.00 0.00 0.00 0.00 61.98 59.81 1y9j s VAL 84 Cb -0.01 -1.53 0.07 0.00 0.00 0.00 0.00 36.38 34.91 1y9j s VAL 84 CO 0.18 -1.00 1.57 -0.31 0.00 0.00 0.00 175.10 175.54 1y9j s TYR 85 N 0.51 2.75 -0.97 5.22 1.51 0.14 0.15 117.35 126.66 1y9j s TYR 85 Ca 0.21 -1.34 -0.18 0.00 -1.01 0.00 0.00 57.07 54.74 1y9j s TYR 85 Cb -0.18 -4.68 0.13 0.00 -0.11 0.00 0.00 41.96 37.12 1y9j s TYR 85 CO -0.04 -1.82 1.20 0.12 -1.11 0.00 0.00 175.55 173.90 1y9j s PHE 86 N 4.27 3.11 0.30 2.71 5.36 0.12 -1.72 117.98 132.14 1y9j s PHE 86 Ca 0.49 -1.43 0.05 0.00 -0.96 0.00 0.00 56.93 55.08 1y9j s PHE 86 Cb 0.02 -4.33 -0.03 0.00 -0.34 0.00 0.00 43.02 38.34 1y9j s PHE 86 CO -0.01 -1.52 0.25 0.14 -1.46 0.00 0.00 175.22 172.62 1y9j s VAL 87 N 2.77 0.00 0.57 3.12 -7.23 0.86 -3.69 120.40 116.79 1y9j s VAL 87 Ca 0.35 -1.99 -0.15 0.00 -1.81 0.00 0.00 61.98 58.38 1y9j s VAL 87 Cb -0.04 -2.50 -0.06 0.00 0.56 0.00 0.00 36.38 34.34 1y9j s VAL 87 CO -0.08 0.00 1.01 -0.04 -0.31 0.00 0.00 175.10 175.68 1y9j s MET 88 N -3.60 3.70 -0.44 4.82 1.00 -1.26 -2.73 119.30 120.79 1y9j s MET 88 Ca 0.40 0.93 -0.02 0.00 0.00 0.00 0.00 55.69 57.01 1y9j s MET 88 Cb 0.03 -2.10 0.22 0.00 0.00 0.00 0.00 34.83 32.99 1y9j s MET 88 CO 0.24 -0.48 2.21 -0.35 0.00 0.00 0.00 175.02 176.64 1y9j n PRO 89 N -2.06 2.15 -2.42 2.03 -0.04 -1.26 -4.56 135.00 128.84 1y9j n PRO 89 Ca 0.07 -2.15 -0.30 0.00 -0.04 0.00 0.00 63.50 61.08 1y9j n PRO 89 Cb 0.54 -1.89 -0.01 0.00 -0.04 0.00 0.00 33.50 32.09 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 -2.85 4.76 0.26 0.52 -4.23 -1.26 -4.75 115.64 108.09 1y9j s THR 90 Ca 0.45 0.68 -0.04 0.00 -1.18 0.00 0.00 61.69 61.59 1y9j s THR 90 Cb 0.33 -3.81 0.31 0.00 1.34 0.00 0.00 72.50 70.67 1y9j s THR 90 CO -0.08 -0.84 1.63 -0.33 -0.54 0.00 0.00 174.62 174.46 1y9j h GLU 91 N 0.42 0.10 -0.37 3.99 5.08 -1.98 0.68 114.58 122.50 1y9j h GLU 91 Ca -0.46 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 57.87 1y9j h GLU 91 Cb 1.19 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 1y9j h GLU 91 CO 0.62 0.07 0.12 1.05 -1.00 0.00 0.00 179.01 179.88 1y9j h GLU 92 N 0.11 0.58 0.12 2.33 4.11 -1.96 -1.86 114.58 118.00 1y9j h GLU 92 Ca 0.46 -0.12 -0.01 0.00 0.07 0.00 0.00 59.36 59.77 1y9j h GLU 92 Cb 0.86 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1y9j h GLU 92 CO -0.71 0.58 -0.06 -0.91 0.07 0.00 0.00 179.01 177.99 1y9j h ASN 93 N 0.46 -0.14 -0.77 3.06 4.21 -0.89 -1.84 115.58 119.67 1y9j h ASN 93 Ca 0.12 -0.05 0.19 0.00 1.21 0.00 0.00 56.30 57.77 1y9j h ASN 93 Cb 0.24 0.04 -0.04 0.00 -1.12 0.00 0.00 38.32 37.43 1y9j h ASN 93 CO -0.01 -0.04 0.53 0.40 -1.29 0.00 0.00 177.43 177.03 1y9j h ILE 94 N -0.23 0.68 -0.00 2.81 1.08 0.27 0.63 117.51 122.75 1y9j h ILE 94 Ca -0.02 -0.06 -0.14 0.00 -0.39 0.00 0.00 64.86 64.25 1y9j h ILE 94 Cb 0.18 0.49 -0.02 0.00 -3.07 0.00 0.00 36.82 34.40 1y9j h ILE 94 CO 0.03 0.03 -0.65 -0.78 -0.69 0.00 0.00 178.15 176.09 1y9j h ASP 95 N 0.18 0.02 0.91 1.72 3.58 -0.62 -2.89 116.42 119.32 1y9j h ASP 95 Ca 0.38 -0.01 -0.16 0.00 0.42 0.00 0.00 57.03 57.66 1y9j h ASP 95 Cb 1.21 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 42.24 1y9j h ASP 95 CO -0.07 0.66 -0.75 0.03 -2.88 0.00 0.00 179.24 176.24 1y9j h ARG 96 N 0.01 0.00 -0.54 0.28 -0.00 0.96 -1.90 114.38 113.20 1y9j h ARG 96 Ca -0.01 0.00 -0.08 0.00 -0.50 0.00 0.00 59.98 59.39 1y9j h ARG 96 Cb 1.15 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 31.10 1y9j h ARG 96 CO 0.09 0.75 0.01 -0.07 0.00 0.00 0.00 179.97 180.74 1y9j h LEU 97 N 0.00 0.92 -0.53 3.04 -0.00 -0.91 0.26 115.31 118.09 1y9j h LEU 97 Ca -0.01 -0.30 -0.08 0.00 -0.00 0.00 0.00 57.88 57.49 1y9j h LEU 97 Cb 1.41 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 41.81 1y9j h LEU 97 CO 0.10 1.00 -0.37 0.00 -0.00 0.00 0.00 178.44 179.17 1y9j h GLN 99 N 0.00 0.51 0.01 0.00 1.08 -0.89 -2.76 115.11 113.06 1y9j h GLN 99 Ca -0.00 -0.69 -0.23 0.00 -1.45 0.00 0.00 58.65 56.27 1y9j h GLN 99 Cb 1.08 0.23 -0.03 0.00 -0.05 0.00 0.00 27.48 28.71 1y9j h GLN 99 CO 0.05 1.30 -1.14 0.38 -0.95 0.00 0.00 178.83 178.47 1y9j h ASP 100 N 0.05 0.04 0.63 1.46 3.04 -0.50 -2.82 116.42 118.31 1y9j h ASP 100 Ca -0.16 -0.04 -0.11 0.00 -3.24 0.00 0.00 57.03 53.48 1y9j h ASP 100 Cb 1.75 -0.01 -0.02 0.00 -1.04 0.00 0.00 39.33 40.02 1y9j h ASP 100 CO 0.20 1.03 -0.53 -0.07 -2.04 0.00 0.00 179.24 177.83 1y9j h LEU 101 N 0.01 0.00 0.13 0.15 3.38 -0.83 -2.59 115.31 115.55 1y9j h LEU 101 Ca -0.07 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.60 1y9j h LEU 101 Cb 1.83 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.58 1y9j h LEU 101 CO 0.13 0.53 -1.45 0.03 0.09 0.00 0.00 178.44 177.77 1y9j h ARG 102 N 0.00 0.28 0.00 1.13 3.08 -1.55 -3.28 114.38 114.04 1y9j h ARG 102 Ca -0.01 -0.48 -0.02 0.00 0.07 0.00 0.00 59.98 59.55 1y9j h ARG 102 Cb 0.99 0.18 -0.00 0.00 0.08 0.00 0.00 29.97 31.22 1y9j h ARG 102 CO 0.07 1.17 -0.09 -0.91 -1.07 0.00 0.00 179.97 179.14 1y9j h ASN 103 N 0.08 0.00 -3.02 7.04 2.35 -1.44 -3.47 115.58 117.11 1y9j h ASN 103 Ca -0.21 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.22 1y9j h ASN 103 Cb 2.02 0.00 0.02 0.00 0.05 0.00 0.00 38.32 40.41 1y9j h ASN 103 CO 0.18 0.09 -0.44 0.00 -1.65 0.00 0.00 177.43 175.61 1y9j n GLN 104 N -3.29 -2.76 0.16 0.81 6.02 -0.98 -4.87 117.38 112.46 1y9j n GLN 104 Ca -0.00 0.73 0.16 0.00 -0.01 0.00 0.00 57.00 57.88 1y9j n GLN 104 Cb 0.31 -5.13 0.75 0.00 1.02 0.00 0.00 30.24 27.19 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 -0.64 0.00 -7.56 1.08 3.38 -1.88 -3.30 115.31 106.38 1y9j h LEU 105 Ca -0.40 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.41 1y9j h LEU 105 Cb 1.28 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.79 1y9j h LEU 105 CO 0.44 0.00 -0.45 -0.31 0.09 0.00 0.00 178.44 178.21 1y9j s TYR 106 N -4.83 -0.17 0.12 1.13 1.51 -1.26 0.23 117.35 114.08 1y9j s TYR 106 Ca -0.05 0.40 -0.20 0.00 -1.01 0.00 0.00 57.07 56.21 1y9j s TYR 106 Cb 0.17 0.05 -0.06 0.00 -0.11 0.00 0.00 41.96 42.01 1y9j s TYR 106 CO 0.62 -0.18 1.75 1.49 -1.11 0.00 0.00 175.55 178.13 1y9j h GLU 107 N 5.29 0.15 -6.33 -0.62 4.81 -1.03 -3.44 114.58 113.41 1y9j h GLU 107 Ca -0.27 -0.01 -0.45 0.00 -0.13 0.00 0.00 59.36 58.50 1y9j h GLU 107 Cb 1.19 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 1y9j h GLU 107 CO 0.38 0.10 -0.31 -1.12 -0.73 0.00 0.00 179.01 177.33 1y9j s SER 108 N -5.29 5.40 -0.42 1.04 0.01 -1.26 -3.03 113.70 110.16 1y9j s SER 108 Ca -0.13 -0.56 0.09 0.00 1.31 0.00 0.00 55.95 56.66 1y9j s SER 108 Cb 0.09 -0.62 0.31 0.00 0.21 0.00 0.00 66.02 66.01 1y9j s SER 108 CO 0.69 -0.72 0.83 -1.22 0.41 0.00 0.00 173.24 173.22 1y9j n TYR 109 N -1.73 -1.26 -1.55 2.43 4.02 0.02 -2.12 117.16 116.97 1y9j n TYR 109 Ca 0.06 -3.02 -0.23 0.00 -0.01 0.00 0.00 57.90 54.70 1y9j n TYR 109 Cb 0.60 0.45 -0.06 0.00 -0.02 0.00 0.00 39.34 40.31 1y9j n TYR 109 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 176.86 176.83 1y9j n TYR 110 N 0.68 1.22 -3.14 -0.72 4.19 0.28 -2.64 117.16 117.02 1y9j n TYR 110 Ca 0.17 0.05 -0.32 0.00 3.31 0.00 0.00 57.90 61.10 1y9j n TYR 110 Cb 0.65 -2.55 -0.06 0.00 0.49 0.00 0.00 39.34 37.87 1y9j n TYR 110 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 1y9j s LEU 111 N 13.20 4.05 -0.25 2.98 1.43 0.30 0.26 118.68 140.65 1y9j s LEU 111 Ca 0.97 1.21 -0.03 0.00 -1.03 0.00 0.00 54.13 55.26 1y9j s LEU 111 Cb -0.20 -4.02 0.14 0.00 0.03 0.00 0.00 46.19 42.14 1y9j s LEU 111 CO 0.18 -0.21 0.40 0.21 0.23 0.00 0.00 176.35 177.16 1y9j s ASN 112 N -2.40 0.07 -0.06 2.29 3.84 -0.70 0.10 114.94 118.08 1y9j s ASN 112 Ca 0.53 0.30 -0.20 0.00 0.21 0.00 0.00 52.86 53.71 1y9j s ASN 112 Cb -0.10 1.23 -0.05 0.00 -0.55 0.00 0.00 41.25 41.78 1y9j s ASN 112 CO 0.20 -0.29 0.55 -0.36 -2.79 0.00 0.00 177.10 174.40 1y9j s PHE 113 N 2.58 3.59 -0.65 0.43 0.08 -1.18 -0.10 117.98 122.73 1y9j s PHE 113 Ca 0.13 1.06 0.25 0.00 0.12 0.00 0.00 56.93 58.50 1y9j s PHE 113 Cb -0.15 -2.60 0.86 0.00 -0.57 0.00 0.00 43.02 40.56 1y9j s PHE 113 CO -0.16 0.24 1.76 -0.89 -0.10 0.00 0.00 175.22 176.07 1y9j n ILE 114 N 3.27 0.67 -4.47 0.64 2.08 -1.11 -4.01 119.36 116.44 1y9j n ILE 114 Ca -0.06 -0.13 -0.23 0.00 0.56 0.00 0.00 62.75 62.88 1y9j n ILE 114 Cb 0.51 -0.76 -0.10 0.00 -0.75 0.00 0.00 39.64 38.54 1y9j n ILE 114 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 1y9j s SER 115 N -4.47 3.38 -1.14 4.38 0.15 -1.26 -3.16 113.70 111.58 1y9j s SER 115 Ca 0.09 -1.09 -0.22 0.00 0.70 0.00 0.00 55.95 55.43 1y9j s SER 115 Cb 0.11 -0.27 -0.01 0.00 -1.71 0.00 0.00 66.02 64.14 1y9j s SER 115 CO 0.54 -0.09 1.80 0.00 1.20 0.00 0.00 173.24 176.68 1y9j s ALA 116 N -2.66 2.37 0.77 5.45 0.00 -1.26 -4.77 121.76 121.67 1y9j s ALA 116 Ca 0.29 -2.28 -0.10 0.00 0.00 0.00 0.00 51.96 49.87 1y9j s ALA 116 Cb -0.02 -4.62 0.06 0.00 0.00 0.00 0.00 23.12 18.54 1y9j s ALA 116 CO 0.14 -4.32 1.09 -1.50 0.00 0.00 0.00 175.76 171.17 1y9j s ILE 117 N 7.86 3.35 0.31 0.00 2.07 -1.26 -5.06 121.20 128.46 1y9j s ILE 117 Ca 0.61 0.44 0.08 0.00 -1.41 0.00 0.00 60.65 60.36 1y9j s ILE 117 Cb -0.00 -2.93 -0.04 0.00 0.13 0.00 0.00 42.46 39.62 1y9j s ILE 117 CO 0.05 -0.57 0.17 -0.44 -1.91 0.00 0.00 174.94 172.25 1y9j s SER 118 N -3.41 5.01 0.37 4.50 0.01 -1.26 -4.94 113.70 113.98 1y9j s SER 118 Ca 0.61 -0.56 0.13 0.00 1.31 0.00 0.00 55.95 57.44 1y9j s SER 118 Cb -0.17 -0.96 0.96 0.00 0.21 0.00 0.00 66.02 66.06 1y9j s SER 118 CO 0.56 -0.21 1.81 -0.09 0.41 0.00 0.00 173.24 175.71 1y9j h ARG 119 N 1.50 0.53 0.95 12.44 2.43 -1.97 0.55 114.38 130.81 1y9j h ARG 119 Ca -0.45 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 58.64 1y9j h ARG 119 Cb 1.25 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 30.69 1y9j h ARG 119 CO 0.61 0.35 -0.47 0.66 -1.51 0.00 0.00 179.97 179.60 1y9j h SER 120 N 0.54 -1.14 -0.04 -3.80 4.64 -1.99 0.54 113.55 112.31 1y9j h SER 120 Ca 0.54 0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 61.84 1y9j h SER 120 Cb 1.14 0.30 -0.01 0.00 -0.31 0.00 0.00 62.40 63.51 1y9j h SER 120 CO -0.28 -0.79 -0.15 0.11 -0.87 0.00 0.00 176.83 174.86 1y9j h LYS 121 N -1.30 0.36 -0.40 4.77 1.57 -1.78 -2.71 116.57 117.09 1y9j h LYS 121 Ca -0.13 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.49 1y9j h LYS 121 Cb 1.00 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 1y9j h LYS 121 CO 0.20 0.51 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.52 1y9j h LEU 122 N 0.34 0.69 -1.63 2.94 3.38 0.29 -2.62 115.31 118.69 1y9j h LEU 122 Ca 0.06 -0.31 0.08 0.00 0.09 0.00 0.00 57.88 57.81 1y9j h LEU 122 Cb 0.46 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1y9j h LEU 122 CO 0.03 0.83 0.38 -0.33 0.09 0.00 0.00 178.44 179.44 1y9j h GLU 123 N 0.53 0.43 -0.01 1.13 5.08 0.39 0.21 114.58 122.34 1y9j h GLU 123 Ca 0.11 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1y9j h GLU 123 Cb 0.48 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1y9j h GLU 123 CO 0.02 0.28 0.01 -0.44 -1.00 0.00 0.00 179.01 177.88 1y9j h ASP 124 N 0.44 0.01 -0.27 1.42 3.32 -1.27 0.38 116.42 120.45 1y9j h ASP 124 Ca 0.25 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.17 1y9j h ASP 124 Cb 0.43 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1y9j h ASP 124 CO -0.07 0.05 -0.18 0.40 -1.72 0.00 0.00 179.24 177.72 1y9j h ILE 125 N -0.03 1.30 -0.99 0.35 5.03 -1.20 0.72 117.51 122.70 1y9j h ILE 125 Ca 0.00 -1.31 0.06 0.00 -0.12 0.00 0.00 64.86 63.50 1y9j h ILE 125 Cb 0.04 1.55 -0.07 0.00 -3.03 0.00 0.00 36.82 35.32 1y9j h ILE 125 CO -0.00 0.41 0.64 0.00 -0.68 0.00 0.00 178.15 178.52 1y9j h ALA 126 N 0.72 1.42 0.00 1.87 0.00 -0.46 -0.26 119.26 122.55 1y9j h ALA 126 Ca 0.06 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 1y9j h ALA 126 Cb 0.72 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1y9j h ALA 126 CO 0.05 0.43 -0.85 -0.91 0.00 0.00 0.00 179.25 177.98 1y9j h ASN 127 N 1.16 0.00 -0.99 0.00 2.35 -0.04 -3.03 115.58 115.04 1y9j h ASN 127 Ca 0.43 0.00 0.26 0.00 -0.55 0.00 0.00 56.30 56.43 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 -0.17 0.85 0.67 0.00 -1.65 0.00 0.00 177.43 177.13 1y9j h ALA 128 N 1.15 2.50 0.15 -0.83 0.00 0.23 0.15 119.26 122.61 1y9j h ALA 128 Ca -0.01 0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.57 1y9j h ALA 128 Cb 1.60 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 1y9j h ALA 128 CO 0.11 -0.82 -1.79 0.00 0.00 0.00 0.00 179.25 176.75 1y9j h ALA 129 N 1.57 0.29 -0.76 0.00 0.00 -1.48 -3.34 119.26 115.54 1y9j h ALA 129 Ca 0.51 -1.23 0.22 0.00 0.00 0.00 0.00 54.91 54.42 1y9j h ALA 129 Cb 1.56 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 19.82 1y9j h ALA 129 CO -0.15 1.16 0.67 -0.07 0.00 0.00 0.00 179.25 180.86 1y9j h LEU 130 N 0.09 0.00 -0.88 0.00 3.38 -0.85 1.42 115.31 118.47 1y9j h LEU 130 Ca -0.35 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.50 1y9j h LEU 130 Cb 2.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.80 1y9j h LEU 130 CO 0.14 0.00 -0.55 0.00 0.09 0.00 0.00 178.44 178.13 1y9j h ALA 131 N 1.37 1.07 -0.13 1.53 0.00 -1.57 -3.14 119.26 118.38 1y9j h ALA 131 Ca 0.36 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1y9j h ALA 131 Cb 1.71 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1y9j h ALA 131 CO -0.00 0.69 0.00 0.00 0.00 0.00 0.00 179.25 179.93 1y9j n ALA 132 N -2.44 2.12 -2.95 0.00 0.00 0.32 -4.98 120.51 112.59 1y9j n ALA 132 Ca -0.01 -1.20 -0.15 0.00 0.00 0.00 0.00 53.44 52.07 1y9j n ALA 132 Cb 0.56 -0.21 -0.01 0.00 0.00 0.00 0.00 19.45 19.79 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 -0.20 -2.94 -4.73 0.00 6.94 0.41 -4.89 115.26 109.85 1y9j n ASN 133 Ca 0.06 -0.05 -0.41 0.00 -0.02 0.00 0.00 54.58 54.17 1y9j n ASN 133 Cb 0.36 -2.51 -0.05 0.00 -2.36 0.00 0.00 39.78 35.23 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 -2.62 3.27 -0.24 -2.53 0.00 -1.00 -4.98 121.76 113.65 1y9j s ALA 134 Ca 0.21 0.52 -0.29 0.00 0.00 0.00 0.00 51.96 52.40 1y9j s ALA 134 Cb -0.11 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 1y9j s ALA 134 CO 0.25 -0.01 1.70 0.08 0.00 0.00 0.00 175.76 177.78 1y9j s VAL 135 N -0.03 3.59 0.19 0.00 1.01 -1.17 -4.72 120.40 119.28 1y9j s VAL 135 Ca 0.45 0.65 0.08 0.00 0.00 0.00 0.00 61.98 63.16 1y9j s VAL 135 Cb -0.23 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 1y9j s VAL 135 CO 0.29 -0.31 -0.15 0.42 0.00 0.00 0.00 175.10 175.35 1y9j s THR 136 N 5.70 1.72 -0.24 3.92 -4.23 -1.26 -0.80 115.64 120.44 1y9j s THR 136 Ca 0.75 -2.14 -0.07 0.00 -1.18 0.00 0.00 61.69 59.05 1y9j s THR 136 Cb -0.25 -1.98 0.12 0.00 1.34 0.00 0.00 72.50 71.72 1y9j s THR 136 CO 0.31 -0.55 0.51 0.00 -0.54 0.00 0.00 174.62 174.35 1y9j s GLN 137 N -3.47 0.43 -0.01 3.99 -2.07 -1.08 -4.89 119.66 112.55 1y9j s GLN 137 Ca 0.21 1.13 -0.20 0.00 -1.82 0.00 0.00 55.36 54.68 1y9j s GLN 137 Cb -0.02 0.46 -0.05 0.00 -1.09 0.00 0.00 33.01 32.31 1y9j s GLN 137 CO 0.07 -0.30 0.57 0.08 -1.32 0.00 0.00 175.29 174.38 1y9j s VAL 138 N 2.72 4.94 0.59 3.63 1.01 -1.26 0.11 120.40 132.13 1y9j s VAL 138 Ca 0.00 1.19 0.09 0.00 0.00 0.00 0.00 61.98 63.26 1y9j s VAL 138 Cb -0.13 -3.90 0.09 0.00 0.00 0.00 0.00 36.38 32.44 1y9j s VAL 138 CO -0.16 0.43 0.77 0.00 0.00 0.00 0.00 175.10 176.14 1y9j s ALA 139 N -0.22 4.71 0.73 5.51 0.00 0.28 -4.91 121.76 127.86 1y9j s ALA 139 Ca 0.30 -2.09 -0.12 0.00 0.00 0.00 0.00 51.96 50.05 1y9j s ALA 139 Cb -0.18 -1.37 0.03 0.00 0.00 0.00 0.00 23.12 21.60 1y9j s ALA 139 CO 0.16 -0.87 1.11 0.15 0.00 0.00 0.00 175.76 176.31 1y9j s LYS 140 N -4.66 2.65 0.09 0.00 1.02 -1.26 -4.38 119.74 113.21 1y9j s LYS 140 Ca 0.59 0.40 0.01 0.00 0.02 0.00 0.00 55.97 56.99 1y9j s LYS 140 Cb -0.05 -2.00 -0.04 0.00 -0.52 0.00 0.00 37.83 35.22 1y9j s LYS 140 CO 0.38 -1.17 0.23 0.08 -0.92 0.00 0.00 175.35 173.95 1y9j s VAL 141 N -3.39 5.34 0.00 3.17 1.01 -1.26 -4.45 120.40 120.82 1y9j s VAL 141 Ca 0.59 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1y9j s VAL 141 Cb -0.11 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1y9j s VAL 141 CO 0.51 0.06 0.00 2.22 0.00 0.00 0.00 175.10 177.90 1y9j n PHE 142 N 0.02 0.00 0.03 5.22 -1.74 -1.26 -4.70 117.46 115.03 1y9j n PHE 142 Ca -0.06 0.00 -0.03 0.00 -0.56 0.00 0.00 57.45 56.80 1y9j n PHE 142 Cb 0.52 0.00 0.15 0.00 1.52 0.00 0.00 39.48 41.67 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 -2.02 3.31 0.20 5.98 9.92 -1.19 -4.18 116.55 128.57 1y9j n ASP 143 Ca 0.00 -2.59 0.08 0.00 -0.53 0.00 0.00 54.79 51.76 1y9j n ASP 143 Cb 0.49 -0.62 0.28 0.00 -0.64 0.00 0.00 41.12 40.63 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 1.29 0.00 -0.00 -1.24 3.07 -1.82 -3.26 115.11 113.15 1y9j h GLN 144 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.87 1y9j h GLN 144 Cb 1.51 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.07 1y9j h GLN 144 CO 0.36 0.27 -0.14 0.98 0.09 0.00 0.00 178.83 180.39 1y9j n TYR 145 N -3.27 0.00 -4.18 0.06 4.19 -1.26 -4.90 117.16 107.79 1y9j n TYR 145 Ca 0.01 0.00 -0.16 0.00 3.31 0.00 0.00 57.90 61.07 1y9j n TYR 145 Cb 0.54 0.00 -0.06 0.00 0.49 0.00 0.00 39.34 40.31 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 -0.74 0.00 0.00 2.98 -0.00 -1.23 -5.22 117.00 112.79 1y9j n LEU 146 Ca 0.01 -2.63 0.00 0.00 -0.00 0.00 0.00 56.01 53.39 1y9j n LEU 146 Cb 0.08 1.61 0.00 0.00 -0.00 0.00 0.00 43.42 45.10 1y9j n LEU 146 CO 0.07 -0.47 0.00 -3.20 -0.00 0.00 0.00 177.39 173.78