#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 0.64 0.90 0.00 0.87 -2.06 -1.08 113.55 112.81 1y9j h SER 9 Ca 0.00 -0.15 -0.04 0.00 -1.23 0.00 0.00 61.79 60.37 1y9j h SER 9 Cb 0.00 -0.17 0.01 0.00 -0.44 0.00 0.00 62.40 61.80 1y9j h SER 9 CO 0.00 0.61 -0.46 0.40 -0.53 0.00 0.00 176.83 176.86 1y9j h ILE 10 N 0.62 0.00 -0.59 2.23 5.03 -2.01 -2.15 117.51 120.64 1y9j h ILE 10 Ca 0.16 0.00 0.15 0.00 -0.12 0.00 0.00 64.86 65.05 1y9j h ILE 10 Cb 0.16 0.00 -0.03 0.00 -3.03 0.00 0.00 36.82 33.92 1y9j h ILE 10 CO -0.02 0.00 0.41 -0.09 -0.68 0.00 0.00 178.15 177.78 1y9j h ARG 11 N -1.24 0.11 -0.21 2.37 2.43 -1.97 -0.01 114.38 115.86 1y9j h ARG 11 Ca -0.12 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1y9j h ARG 11 Cb 0.96 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 1y9j h ARG 11 CO 0.18 0.07 0.14 0.93 -1.51 0.00 0.00 179.97 179.78 1y9j h GLU 12 N 0.11 0.28 -1.00 0.20 4.39 -0.76 -2.00 114.58 115.80 1y9j h GLU 12 Ca 0.28 -0.02 0.19 0.00 0.34 0.00 0.00 59.36 60.15 1y9j h GLU 12 Cb 0.96 -0.06 -0.11 0.00 -0.10 0.00 0.00 28.75 29.45 1y9j h GLU 12 CO -0.03 0.19 0.61 0.00 -1.16 0.00 0.00 179.01 178.61 1y9j h ARG 13 N 0.28 0.75 -0.20 2.33 -0.00 -0.36 -0.55 114.38 116.63 1y9j h ARG 13 Ca 0.08 -0.04 0.06 0.00 -0.50 0.00 0.00 59.98 59.57 1y9j h ARG 13 Cb -0.03 -0.17 -0.06 0.00 0.00 0.00 0.00 29.97 29.71 1y9j h ARG 13 CO -0.02 0.49 -0.24 1.96 0.00 0.00 0.00 179.97 182.16 1y9j h GLN 14 N 0.77 -0.26 -0.08 0.04 4.20 -1.22 -0.43 115.11 118.12 1y9j h GLN 14 Ca 0.57 0.02 -0.05 0.00 0.06 0.00 0.00 58.65 59.25 1y9j h GLN 14 Cb 0.88 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.71 1y9j h GLN 14 CO -0.38 -0.17 -0.17 1.15 -0.67 0.00 0.00 178.83 178.58 1y9j h THR 15 N -0.27 1.17 -0.36 -0.54 2.02 -1.04 -2.75 112.91 111.14 1y9j h THR 15 Ca 0.12 -0.78 0.08 0.00 0.77 0.00 0.00 66.41 66.60 1y9j h THR 15 Cb 0.46 1.31 -0.07 0.00 -1.74 0.00 0.00 68.15 68.10 1y9j h THR 15 CO -0.36 0.23 -0.12 0.58 0.37 0.00 0.00 175.52 176.23 1y9j h VAL 16 N 0.12 0.57 -0.02 3.16 2.07 0.05 1.17 116.25 123.38 1y9j h VAL 16 Ca 0.02 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.44 1y9j h VAL 16 Cb 0.39 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1y9j h VAL 16 CO 0.03 0.00 -0.48 0.00 0.02 0.00 0.00 177.57 177.13 1y9j h ALA 17 N 1.29 1.17 0.09 1.67 0.00 -1.32 -2.09 119.26 120.07 1y9j h ALA 17 Ca 0.18 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1y9j h ALA 17 Cb 0.31 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1y9j h ALA 17 CO -0.40 0.61 -0.04 -0.07 0.00 0.00 0.00 179.25 179.35 1y9j h LEU 18 N 0.04 -0.10 -1.06 0.00 3.38 -0.76 -2.98 115.31 113.82 1y9j h LEU 18 Ca -0.00 0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.19 1y9j h LEU 18 Cb 0.87 0.03 -0.11 0.00 0.09 0.00 0.00 40.66 41.53 1y9j h LEU 18 CO 0.06 0.04 0.61 0.11 0.09 0.00 0.00 178.44 179.36 1y9j h LYS 19 N -0.35 0.64 -0.01 1.13 1.57 0.12 1.13 116.57 120.80 1y9j h LYS 19 Ca -0.01 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1y9j h LYS 19 Cb 0.09 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1y9j h LYS 19 CO 0.02 0.42 -0.10 -0.09 -0.57 0.00 0.00 179.45 179.13 1y9j h ARG 20 N 0.66 -0.17 0.00 3.15 2.43 -1.49 0.59 114.38 119.55 1y9j h ARG 20 Ca 0.60 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.78 1y9j h ARG 20 Cb 1.07 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 1y9j h ARG 20 CO -0.40 -0.11 -0.06 0.00 -1.51 0.00 0.00 179.97 177.90 1y9j h MET 21 N -0.17 0.00 -0.00 0.20 -0.00 -0.97 0.25 114.93 114.24 1y9j h MET 21 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.74 1y9j h MET 21 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.83 1y9j h MET 21 CO -0.11 0.00 -0.42 1.28 -0.00 0.00 0.00 176.91 177.66 1y9j n LEU 22 N -2.85 0.81 0.00 -0.10 4.77 0.38 -4.50 117.00 115.50 1y9j n LEU 22 Ca 0.04 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1y9j n LEU 22 Cb 0.50 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1y9j n LEU 22 CO 0.33 0.17 -0.28 0.59 -1.33 0.00 0.00 177.39 176.88 1y9j n ASN 23 N -1.07 2.11 -4.52 -1.43 3.02 0.20 -4.85 115.26 108.73 1y9j n ASN 23 Ca 0.09 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.21 1y9j n ASN 23 Cb 0.35 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.48 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 -1.57 2.56 0.22 3.10 5.36 0.88 -5.00 117.98 123.53 1y9j s PHE 24 Ca 0.00 -0.12 -0.30 0.00 -0.96 0.00 0.00 56.93 55.56 1y9j s PHE 24 Cb 0.00 -4.39 -0.09 0.00 -0.34 0.00 0.00 43.02 38.21 1y9j s PHE 24 CO 0.00 -1.71 1.16 0.54 -1.46 0.00 0.00 175.22 173.75 1y9j s ASN 25 N 3.40 7.15 0.68 6.13 2.20 -1.26 -4.65 114.94 128.58 1y9j s ASN 25 Ca 0.31 2.26 -0.13 0.00 -0.94 0.00 0.00 52.86 54.36 1y9j s ASN 25 Cb -0.12 -2.62 0.01 0.00 -2.00 0.00 0.00 41.25 36.53 1y9j s ASN 25 CO 0.16 -0.29 1.08 0.68 -2.94 0.00 0.00 177.10 175.80 1y9j s VAL 26 N -0.51 3.54 -0.46 3.54 -7.23 -1.26 -4.86 120.40 113.16 1y9j s VAL 26 Ca 0.49 0.62 -0.38 0.00 -1.81 0.00 0.00 61.98 60.90 1y9j s VAL 26 Cb -0.32 -3.17 -0.15 0.00 0.56 0.00 0.00 36.38 33.29 1y9j s VAL 26 CO 0.39 -0.54 2.22 -0.81 -0.31 0.00 0.00 175.10 176.05 1y9j n PRO 27 N -2.76 0.56 -4.64 4.82 -0.04 -1.26 -4.93 135.00 126.76 1y9j n PRO 27 Ca 0.09 0.14 -0.29 0.00 -0.04 0.00 0.00 63.50 63.41 1y9j n PRO 27 Cb 0.53 -2.04 -0.10 0.00 -0.04 0.00 0.00 33.50 31.85 1y9j n PRO 27 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1y9j s HIS 28 N 7.08 2.27 -0.18 0.54 2.46 -1.26 -5.13 115.29 121.07 1y9j s HIS 28 Ca 1.15 -0.80 -0.15 0.00 0.47 0.00 0.00 55.06 55.74 1y9j s HIS 28 Cb -1.12 -1.66 -0.04 0.00 -0.13 0.00 0.00 32.58 29.62 1y9j s HIS 28 CO 0.55 0.32 0.33 0.08 -2.47 0.00 0.00 174.74 173.56 1y9j s VAL 29 N -2.83 5.26 -0.23 0.89 1.01 -1.26 -5.07 120.40 118.17 1y9j s VAL 29 Ca 0.27 0.60 -0.05 0.00 0.00 0.00 0.00 61.98 62.81 1y9j s VAL 29 Cb 0.07 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.77 1y9j s VAL 29 CO 0.14 0.33 -0.01 -1.59 0.00 0.00 0.00 175.10 173.96 1y9j s LYS 30 N 0.86 3.39 -0.06 2.72 0.00 -1.26 -5.00 119.74 120.39 1y9j s LYS 30 Ca 0.17 -0.62 -0.05 0.00 0.00 0.00 0.00 55.97 55.47 1y9j s LYS 30 Cb -0.14 -3.10 -0.02 0.00 0.00 0.00 0.00 37.83 34.58 1y9j s LYS 30 CO 0.06 -0.22 -0.09 -1.71 0.00 0.00 0.00 175.35 173.39 1y9j n ASN 31 N 4.82 0.66 -4.55 0.03 5.15 -1.26 -5.01 115.26 115.11 1y9j n ASN 31 Ca -0.17 0.26 -0.30 0.00 -0.60 0.00 0.00 54.58 53.77 1y9j n ASN 31 Cb 0.51 -0.61 -0.11 0.00 -0.53 0.00 0.00 39.78 39.04 1y9j n ASN 31 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1y9j s SER 32 N -4.47 4.24 0.26 1.20 0.01 -1.26 -5.11 113.70 108.58 1y9j s SER 32 Ca -0.07 -0.39 -0.29 0.00 1.31 0.00 0.00 55.95 56.50 1y9j s SER 32 Cb 0.01 -0.78 -0.09 0.00 0.21 0.00 0.00 66.02 65.36 1y9j s SER 32 CO 0.11 0.20 1.17 -2.16 0.41 0.00 0.00 173.24 172.97 1y9j s PRO 33 N -1.96 4.54 0.00 12.44 0.04 -1.26 -3.63 135.00 145.17 1y9j s PRO 33 Ca 0.19 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.14 1y9j s PRO 33 Cb -0.11 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.25 1y9j s PRO 33 CO 0.11 0.05 0.00 0.41 0.04 0.00 0.00 177.00 177.61 1y9j n GLY 34 N 1.41 1.88 3.61 0.56 0.00 -1.26 -5.06 105.19 106.32 1y9j n GLY 34 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.15 3.65 0.56 1.61 2.02 -1.24 -5.00 118.70 120.16 1y9j s GLU 35 Ca 0.00 1.00 -0.19 0.00 0.02 0.00 0.00 54.97 55.80 1y9j s GLU 35 Cb 0.00 -3.99 -0.05 0.00 0.10 0.00 0.00 34.13 30.19 1y9j s GLU 35 CO 0.00 -1.46 1.13 -1.25 0.02 0.00 0.00 175.26 173.70 1y9j s PRO 36 N 4.75 3.29 -0.72 0.39 0.04 -1.26 -4.97 135.00 136.53 1y9j s PRO 36 Ca 0.60 1.59 -0.23 0.00 0.04 0.00 0.00 61.00 63.00 1y9j s PRO 36 Cb -0.14 -2.00 0.07 0.00 0.04 0.00 0.00 34.50 32.47 1y9j s PRO 36 CO 0.31 -0.90 1.05 0.08 0.04 0.00 0.00 177.00 177.57 1y9j s VAL 37 N -1.83 4.26 0.38 -0.36 1.01 -1.26 -5.02 120.40 117.58 1y9j s VAL 37 Ca 0.72 -0.40 -0.25 0.00 0.00 0.00 0.00 61.98 62.06 1y9j s VAL 37 Cb -0.24 -4.75 -0.09 0.00 0.00 0.00 0.00 36.38 31.31 1y9j s VAL 37 CO 0.29 -1.54 1.05 0.26 0.00 0.00 0.00 175.10 175.16 1y9j s TRP 38 N 4.20 3.34 -0.05 5.22 0.52 -1.26 -4.94 118.94 125.97 1y9j s TRP 38 Ca 0.26 1.66 -0.00 0.00 0.02 0.00 0.00 56.10 58.04 1y9j s TRP 38 Cb -0.14 -3.15 0.03 0.00 -1.15 0.00 0.00 33.47 29.06 1y9j s TRP 38 CO 0.08 -0.59 -0.01 0.21 0.02 0.00 0.00 176.95 176.66 1y9j s LYS 39 N -2.29 0.58 0.52 4.98 2.20 -0.17 -4.02 119.74 121.53 1y9j s LYS 39 Ca 0.55 0.05 -0.06 0.00 -0.36 0.00 0.00 55.97 56.16 1y9j s LYS 39 Cb -0.24 -0.80 -0.02 0.00 -1.51 0.00 0.00 37.83 35.26 1y9j s LYS 39 CO 0.30 -0.20 0.83 0.08 -0.36 0.00 0.00 175.35 175.99 1y9j s VAL 40 N 1.46 4.53 -0.02 4.02 1.01 0.20 -2.83 120.40 128.77 1y9j s VAL 40 Ca -0.03 0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.09 1y9j s VAL 40 Cb -0.13 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.51 1y9j s VAL 40 CO -0.03 -0.75 0.06 -0.22 0.00 0.00 0.00 175.10 174.16 1y9j s LEU 41 N -4.83 1.78 -0.25 3.92 2.96 -0.45 0.15 118.68 121.97 1y9j s LEU 41 Ca 0.50 0.11 -0.00 0.00 -0.22 0.00 0.00 54.13 54.51 1y9j s LEU 41 Cb -0.10 0.19 0.07 0.00 0.50 0.00 0.00 46.19 46.85 1y9j s LEU 41 CO 0.45 -0.02 0.02 -0.63 -1.32 0.00 0.00 176.35 174.85 1y9j s ILE 42 N 0.04 1.12 0.36 6.68 -1.09 0.99 -2.71 121.20 126.58 1y9j s ILE 42 Ca -0.00 -1.13 0.08 0.00 -2.23 0.00 0.00 60.65 57.37 1y9j s ILE 42 Cb -0.00 -1.59 -0.04 0.00 -1.58 0.00 0.00 42.46 39.24 1y9j s ILE 42 CO 0.00 -0.30 0.14 -0.72 -1.23 0.00 0.00 174.94 172.83 1y9j s TYR 43 N 1.56 2.67 0.04 3.97 -0.85 -1.11 0.17 117.35 123.80 1y9j s TYR 43 Ca 0.00 -0.43 0.00 0.00 -0.52 0.00 0.00 57.07 56.12 1y9j s TYR 43 Cb -0.18 -1.70 -0.00 0.00 0.38 0.00 0.00 41.96 40.46 1y9j s TYR 43 CO -0.11 0.31 0.00 -0.25 -1.52 0.00 0.00 175.55 173.98 1y9j n ASP 44 N -1.16 2.03 -0.32 -0.18 8.00 -1.23 -2.87 116.55 120.82 1y9j n ASP 44 Ca -0.03 -1.17 0.17 0.00 0.71 0.00 0.00 54.79 54.47 1y9j n ASP 44 Cb 0.62 0.03 0.36 0.00 -0.02 0.00 0.00 41.12 42.11 1y9j n ASP 44 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 1y9j h ARG 45 N 0.00 0.34 0.19 -1.24 -0.00 -2.00 0.10 114.38 111.77 1y9j h ARG 45 Ca -0.03 -0.02 -0.25 0.00 -0.00 0.00 0.00 59.98 59.68 1y9j h ARG 45 Cb 0.10 -0.08 0.03 0.00 -0.00 0.00 0.00 29.97 30.02 1y9j h ARG 45 CO 0.05 0.23 -1.10 0.74 -0.00 0.00 0.00 179.97 179.89 1y9j h PHE 46 N 0.35 0.72 -0.80 4.08 -1.00 -1.95 -2.81 116.94 115.54 1y9j h PHE 46 Ca 0.62 -0.52 0.19 0.00 2.81 0.00 0.00 57.97 61.06 1y9j h PHE 46 Cb 1.27 -0.03 -0.12 0.00 3.61 0.00 0.00 35.95 40.68 1y9j h PHE 46 CO -0.12 1.42 0.21 0.78 -1.61 0.00 0.00 178.31 178.99 1y9j h GLY 47 N -0.15 1.16 2.00 -1.45 0.00 -1.06 0.53 103.07 104.11 1y9j h GLY 47 Ca -0.19 -0.04 -0.15 0.00 0.00 0.00 0.00 47.33 46.94 1y9j h GLY 47 CO 0.20 -0.25 -0.72 0.06 0.00 0.00 0.00 176.54 175.82 1y9j h GLN 48 N 0.26 0.00 0.00 4.80 3.07 -1.03 0.17 115.11 122.39 1y9j h GLN 48 Ca 0.47 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.21 1y9j h GLN 48 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.41 1y9j h GLN 48 CO -0.56 0.72 0.00 -3.47 0.09 0.00 0.00 178.83 175.61 1y9j n ASP 49 N -3.65 0.18 0.00 0.06 -0.08 0.18 -2.11 116.55 111.12 1y9j n ASP 49 Ca -0.01 0.56 0.00 0.00 -1.51 0.00 0.00 54.79 53.84 1y9j n ASP 49 Cb 0.71 -0.59 0.00 0.00 2.34 0.00 0.00 41.12 43.58 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 -0.66 -4.60 119.36 122.82 1y9j n ILE 50 Ca 0.01 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.68 1y9j n ILE 50 Cb 0.09 -0.56 -0.00 0.00 -0.71 0.00 0.00 39.64 38.46 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 1.18 0.87 1.39 2.10 -0.67 -3.06 117.51 119.31 1y9j h ILE 51 Ca 0.00 -0.51 -0.04 0.00 1.08 0.00 0.00 64.86 65.39 1y9j h ILE 51 Cb 0.85 0.75 0.01 0.00 -1.09 0.00 0.00 36.82 37.34 1y9j h ILE 51 CO 0.00 0.19 -0.42 -1.28 -1.08 0.00 0.00 178.15 175.57 1y9j h SER 52 N 0.53 -0.99 -0.39 2.19 0.87 -1.53 1.09 113.55 115.32 1y9j h SER 52 Ca 0.14 0.03 0.11 0.00 -1.23 0.00 0.00 61.79 60.85 1y9j h SER 52 Cb 0.13 0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 1y9j h SER 52 CO -0.02 -0.68 0.70 1.55 -0.53 0.00 0.00 176.83 177.85 1y9j h PRO 53 N -1.22 0.00 0.00 2.24 0.13 -1.75 0.41 132.00 131.80 1y9j h PRO 53 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1y9j h PRO 53 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1y9j h PRO 53 CO 0.20 0.00 -0.01 1.28 -0.23 0.00 0.00 178.00 179.24 1y9j n LEU 54 N -3.19 1.69 -3.45 1.56 4.77 -1.06 -5.06 117.00 112.26 1y9j n LEU 54 Ca 0.08 -1.77 -0.11 0.00 -0.03 0.00 0.00 56.01 54.17 1y9j n LEU 54 Cb 0.85 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.88 1y9j n LEU 54 CO 0.18 0.44 0.50 -0.22 -1.33 0.00 0.00 177.39 176.96 1y9j s LEU 55 N -0.99 -0.51 0.35 2.23 0.20 0.37 -5.02 118.68 115.32 1y9j s LEU 55 Ca 0.03 0.04 0.04 0.00 0.69 0.00 0.00 54.13 54.93 1y9j s LEU 55 Cb 0.02 2.40 -0.05 0.00 -0.43 0.00 0.00 46.19 48.13 1y9j s LEU 55 CO 0.00 -0.83 0.07 -0.44 -0.29 0.00 0.00 176.35 174.86 1y9j s SER 56 N -2.56 2.57 0.07 3.68 0.01 -1.26 -3.87 113.70 112.34 1y9j s SER 56 Ca 0.02 -1.45 -0.20 0.00 1.31 0.00 0.00 55.95 55.62 1y9j s SER 56 Cb -0.01 0.06 -0.11 0.00 0.21 0.00 0.00 66.02 66.17 1y9j s SER 56 CO -0.10 -0.68 1.50 0.58 0.41 0.00 0.00 173.24 174.94 1y9j h VAL 57 N 2.00 1.26 -0.41 3.43 2.07 -1.98 -1.36 116.25 121.26 1y9j h VAL 57 Ca -0.40 -0.87 -0.07 0.00 0.82 0.00 0.00 66.70 66.18 1y9j h VAL 57 Cb 1.25 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 32.47 1y9j h VAL 57 CO 0.68 0.26 -0.04 0.11 0.02 0.00 0.00 177.57 178.60 1y9j h LYS 58 N 0.08 0.69 -0.08 1.57 1.57 -2.00 -2.36 116.57 116.04 1y9j h LYS 58 Ca 0.05 -0.19 -0.13 0.00 -1.87 0.00 0.00 60.65 58.51 1y9j h LYS 58 Cb 0.39 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1y9j h LYS 58 CO 0.01 0.73 -0.54 0.93 -0.57 0.00 0.00 179.45 180.01 1y9j h GLU 59 N 0.64 0.23 -0.02 3.15 5.08 -1.95 -1.73 114.58 119.99 1y9j h GLU 59 Ca 0.12 -0.14 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1y9j h GLU 59 Cb 0.46 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1y9j h GLU 59 CO 0.02 0.72 -0.15 -0.07 -1.00 0.00 0.00 179.01 178.53 1y9j h LEU 60 N 0.18 -0.44 -1.14 1.33 3.38 -0.71 0.46 115.31 118.37 1y9j h LEU 60 Ca 0.00 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1y9j h LEU 60 Cb 1.02 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1y9j h LEU 60 CO 0.08 -0.21 -0.18 0.03 0.09 0.00 0.00 178.44 178.25 1y9j h ARG 61 N -0.24 0.00 0.00 1.13 2.47 -1.44 -2.45 114.38 113.86 1y9j h ARG 61 Ca 0.06 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.75 1y9j h ARG 61 Cb 0.31 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.63 1y9j h ARG 61 CO -0.16 0.18 -0.30 0.22 0.56 0.00 0.00 179.97 180.48 1y9j h ASP 62 N 0.00 0.00 1.56 7.04 1.82 -0.29 -3.25 116.42 123.30 1y9j h ASP 62 Ca -0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1y9j h ASP 62 Cb 0.72 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.73 1y9j h ASP 62 CO 0.02 0.11 -0.44 0.24 -1.61 0.00 0.00 179.24 177.57 1y9j h MET 63 N 0.00 0.00 0.00 0.28 2.86 0.13 -3.47 114.93 114.72 1y9j h MET 63 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1y9j h MET 63 Cb 1.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.75 1y9j h MET 63 CO 0.01 0.01 0.00 0.41 1.06 0.00 0.00 176.91 178.40 1y9j n GLY 64 N 1.14 1.18 3.71 8.32 0.00 -1.18 -4.94 105.19 113.41 1y9j n GLY 64 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1y9j n GLY 64 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1y9j s ILE 65 N -2.00 5.35 -0.56 -0.61 2.07 -0.94 -1.00 121.20 123.51 1y9j s ILE 65 Ca 0.00 0.32 0.24 0.00 -1.41 0.00 0.00 60.65 59.80 1y9j s ILE 65 Cb 0.00 -3.54 0.02 0.00 0.13 0.00 0.00 42.46 39.07 1y9j s ILE 65 CO 0.00 0.38 1.24 0.00 -1.91 0.00 0.00 174.94 174.65 1y9j h THR 66 N 4.80 0.00 -1.02 4.00 1.03 -1.86 -3.42 112.91 116.44 1y9j h THR 66 Ca -0.40 -0.59 0.21 0.00 -0.01 0.00 0.00 66.41 65.62 1y9j h THR 66 Cb 1.16 1.13 -0.34 0.00 -1.07 0.00 0.00 68.15 69.03 1y9j h THR 66 CO 0.73 0.00 0.89 -0.22 -0.01 0.00 0.00 175.52 176.91 1y9j s LEU 67 N -4.43 -0.01 -0.05 0.00 1.98 -1.26 -5.01 118.68 109.90 1y9j s LEU 67 Ca 0.05 0.02 -0.00 0.00 -2.89 0.00 0.00 54.13 51.31 1y9j s LEU 67 Cb 0.13 1.02 0.03 0.00 0.66 0.00 0.00 46.19 48.03 1y9j s LEU 67 CO 0.74 -0.00 -0.00 -1.38 -1.89 0.00 0.00 176.35 173.82 1y9j s HIS 68 N 0.27 0.51 0.23 5.38 -3.43 -1.26 -1.34 115.29 115.66 1y9j s HIS 68 Ca 0.04 -0.08 -0.15 0.00 -0.80 0.00 0.00 55.06 54.06 1y9j s HIS 68 Cb -0.04 -0.62 0.01 0.00 -1.43 0.00 0.00 32.58 30.50 1y9j s HIS 68 CO -0.15 -0.22 0.52 -0.48 -2.00 0.00 0.00 174.74 172.41 1y9j s LEU 69 N 1.48 0.20 0.00 5.38 -0.00 -1.10 -5.03 118.68 119.61 1y9j s LEU 69 Ca -0.03 -0.74 -0.24 0.00 -0.00 0.00 0.00 54.13 53.11 1y9j s LEU 69 Cb -0.13 1.99 -0.05 0.00 -0.00 0.00 0.00 46.19 48.01 1y9j s LEU 69 CO -0.03 -1.13 0.74 -0.76 -0.00 0.00 0.00 176.35 175.17 1y9j s LEU 70 N -2.96 4.40 0.61 1.48 1.43 -1.26 -2.73 118.68 119.65 1y9j s LEU 70 Ca 0.16 1.35 0.28 0.00 -1.03 0.00 0.00 54.13 54.89 1y9j s LEU 70 Cb -0.01 -3.17 1.42 0.00 0.03 0.00 0.00 46.19 44.46 1y9j s LEU 70 CO 0.05 -0.03 1.83 -0.07 0.23 0.00 0.00 176.35 178.35 1y9j h LEU 71 N 6.05 0.00 -3.85 1.79 4.07 -1.87 0.39 115.31 121.90 1y9j h LEU 71 Ca -0.43 0.00 -0.56 0.00 0.08 0.00 0.00 57.88 56.97 1y9j h LEU 71 Cb 1.20 0.00 -0.26 0.00 1.08 0.00 0.00 40.66 42.68 1y9j h LEU 71 CO 0.72 0.00 0.72 1.57 -1.08 0.00 0.00 178.44 180.38 1y9j n HIS 72 N -3.42 2.80 -3.84 1.13 -0.00 -1.26 -4.92 115.22 105.72 1y9j n HIS 72 Ca 0.06 -2.52 -0.10 0.00 0.46 0.00 0.00 57.72 55.63 1y9j n HIS 72 Cb 0.67 -1.23 -0.06 0.00 -0.12 0.00 0.00 29.99 29.25 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 -1.27 -0.06 -0.45 0.26 0.01 0.14 -5.09 113.70 107.23 1y9j s SER 73 Ca 0.55 -0.65 -0.27 0.00 1.31 0.00 0.00 55.95 56.89 1y9j s SER 73 Cb 0.44 0.46 -0.08 0.00 0.21 0.00 0.00 66.02 67.05 1y9j s SER 73 CO 0.02 -0.90 2.38 0.47 0.41 0.00 0.00 173.24 175.62 1y9j n ASP 74 N -0.22 2.40 -4.72 2.44 9.92 -1.26 -4.83 116.55 120.28 1y9j n ASP 74 Ca -0.11 -0.25 -0.30 0.00 -0.53 0.00 0.00 54.79 53.61 1y9j n ASP 74 Cb 0.63 -1.52 0.14 0.00 -0.64 0.00 0.00 41.12 39.73 1y9j n ASP 74 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1y9j s ARG 75 N 7.76 1.29 -0.02 -1.24 0.52 -1.26 -4.99 118.95 121.02 1y9j s ARG 75 Ca 1.02 0.81 0.03 0.00 -0.52 0.00 0.00 55.73 57.07 1y9j s ARG 75 Cb -0.32 -1.81 -0.03 0.00 0.52 0.00 0.00 34.95 33.30 1y9j s ARG 75 CO 0.31 -2.22 -0.09 0.34 0.02 0.00 0.00 175.30 173.67 1y9j s ASP 76 N -3.44 4.49 -0.46 0.23 2.15 -1.26 -5.09 116.67 113.29 1y9j s ASP 76 Ca 0.63 -0.14 -0.25 0.00 0.43 0.00 0.00 52.55 53.22 1y9j s ASP 76 Cb -0.18 -1.04 0.03 0.00 -0.30 0.00 0.00 42.92 41.43 1y9j s ASP 76 CO 0.57 0.31 0.93 -2.16 -0.17 0.00 0.00 175.17 174.65 1y9j s PRO 77 N -1.18 3.54 -0.37 4.34 0.04 -1.26 -4.73 135.00 135.38 1y9j s PRO 77 Ca 0.15 0.18 0.12 0.00 0.04 0.00 0.00 61.00 61.48 1y9j s PRO 77 Cb -0.11 -3.92 0.35 0.00 0.04 0.00 0.00 34.50 30.86 1y9j s PRO 77 CO 0.05 -1.22 0.73 -0.89 0.04 0.00 0.00 177.00 175.71 1y9j n ILE 78 N 6.42 -0.14 0.31 0.56 -0.00 0.55 -4.93 119.36 122.13 1y9j n ILE 78 Ca 0.06 -4.59 0.20 0.00 -0.00 0.00 0.00 62.75 58.42 1y9j n ILE 78 Cb 0.48 -0.30 1.03 0.00 -0.00 0.00 0.00 39.64 40.85 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 3.01 0.00 -0.33 0.38 -0.00 -0.47 -1.58 114.38 115.39 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 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.93 1y9j h ARG 79 CO 0.50 0.00 0.00 -0.25 -0.00 0.00 0.00 179.97 180.22 1y9j n ASP 80 N -2.96 1.56 -3.74 0.08 8.00 -1.26 -2.31 116.55 115.92 1y9j n ASP 80 Ca -0.02 -2.03 -0.13 0.00 0.71 0.00 0.00 54.79 53.31 1y9j n ASP 80 Cb 0.12 -0.22 -0.14 0.00 -0.02 0.00 0.00 41.12 40.86 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 -1.64 -0.05 0.11 2.53 1.01 -0.60 -4.96 120.40 116.81 1y9j s VAL 81 Ca 0.18 0.18 -0.32 0.00 0.00 0.00 0.00 61.98 62.02 1y9j s VAL 81 Cb 0.10 -0.26 -0.11 0.00 0.00 0.00 0.00 36.38 36.10 1y9j s VAL 81 CO 0.12 0.07 1.81 -0.81 0.00 0.00 0.00 175.10 176.28 1y9j n PRO 82 N 4.22 2.65 -3.09 2.72 -0.04 -1.26 -2.69 135.00 137.51 1y9j n PRO 82 Ca -0.26 0.96 -0.18 0.00 -0.04 0.00 0.00 63.50 63.99 1y9j n PRO 82 Cb 0.52 -2.84 0.00 0.00 -0.04 0.00 0.00 33.50 31.14 1y9j n PRO 82 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1y9j s ALA 83 N 2.57 4.46 0.01 0.55 0.00 -1.08 -0.63 121.76 127.64 1y9j s ALA 83 Ca 0.82 -1.69 0.02 0.00 0.00 0.00 0.00 51.96 51.12 1y9j s ALA 83 Cb -0.53 -1.56 -0.01 0.00 0.00 0.00 0.00 23.12 21.02 1y9j s ALA 83 CO 0.39 -0.26 -0.07 0.08 0.00 0.00 0.00 175.76 175.89 1y9j s VAL 84 N -2.36 0.51 -0.34 0.00 1.01 0.40 -0.32 120.40 119.30 1y9j s VAL 84 Ca 0.54 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1y9j s VAL 84 Cb -0.09 -0.47 0.11 0.00 0.00 0.00 0.00 36.38 35.93 1y9j s VAL 84 CO 0.32 0.02 0.13 -0.31 0.00 0.00 0.00 175.10 175.26 1y9j s TYR 85 N -0.44 1.89 -0.76 5.22 1.51 0.37 0.33 117.35 125.47 1y9j s TYR 85 Ca -0.00 -1.98 -0.10 0.00 -1.01 0.00 0.00 57.07 53.98 1y9j s TYR 85 Cb -0.04 -1.82 0.20 0.00 -0.11 0.00 0.00 41.96 40.19 1y9j s TYR 85 CO -0.00 -0.86 0.65 0.12 -1.11 0.00 0.00 175.55 174.35 1y9j s PHE 86 N 1.27 3.63 0.31 2.71 5.36 0.13 0.12 117.98 131.50 1y9j s PHE 86 Ca 0.12 -2.29 -0.01 0.00 -0.96 0.00 0.00 56.93 53.79 1y9j s PHE 86 Cb -0.19 -3.58 -0.01 0.00 -0.34 0.00 0.00 43.02 38.89 1y9j s PHE 86 CO -0.17 -0.93 0.38 0.14 -1.46 0.00 0.00 175.22 173.17 1y9j s VAL 87 N 0.03 0.00 0.55 3.12 -7.23 0.12 -3.55 120.40 113.43 1y9j s VAL 87 Ca 0.18 -1.74 -0.17 0.00 -1.81 0.00 0.00 61.98 58.44 1y9j s VAL 87 Cb -0.14 -2.54 -0.06 0.00 0.56 0.00 0.00 36.38 34.20 1y9j s VAL 87 CO -0.07 0.00 1.03 -0.32 -0.31 0.00 0.00 175.10 175.43 1y9j s MET 88 N -3.41 3.59 -0.44 4.82 1.75 -1.26 -2.78 119.30 121.57 1y9j s MET 88 Ca 0.34 1.17 -0.02 0.00 -1.25 0.00 0.00 55.69 55.92 1y9j s MET 88 Cb 0.01 -2.07 0.22 0.00 2.84 0.00 0.00 34.83 35.83 1y9j s MET 88 CO 0.20 -0.58 2.23 -0.35 -0.65 0.00 0.00 175.02 175.87 1y9j n PRO 89 N -1.69 2.17 -2.28 4.11 -0.04 -1.26 -4.61 135.00 131.40 1y9j n PRO 89 Ca 0.08 -2.18 -0.31 0.00 -0.04 0.00 0.00 63.50 61.05 1y9j n PRO 89 Cb 0.53 -1.91 -0.02 0.00 -0.04 0.00 0.00 33.50 32.06 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 4.63 0.28 0.52 -4.23 -1.26 -4.70 115.64 108.03 1y9j s THR 90 Ca 0.46 1.00 -0.07 0.00 -1.18 0.00 0.00 61.69 61.90 1y9j s THR 90 Cb 0.34 -3.78 0.45 0.00 1.34 0.00 0.00 72.50 70.85 1y9j s THR 90 CO -0.09 -0.83 1.54 -0.62 -0.54 0.00 0.00 174.62 174.08 1y9j n GLU 91 N -1.96 -0.09 -0.07 3.99 1.02 -1.26 0.53 120.64 122.80 1y9j n GLU 91 Ca 0.06 1.53 -0.10 0.00 -0.02 0.00 0.00 57.16 58.63 1y9j n GLU 91 Cb 0.54 -2.30 -0.03 0.00 -0.02 0.00 0.00 31.44 29.63 1y9j n GLU 91 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1y9j h GLU 92 N 0.00 0.35 -0.45 3.49 5.08 -1.96 -1.61 114.58 119.48 1y9j h GLU 92 Ca 0.49 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.83 1y9j h GLU 92 Cb 0.79 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 1y9j h GLU 92 CO -1.00 0.26 0.29 -0.91 -1.00 0.00 0.00 179.01 176.65 1y9j h ASN 93 N 0.33 0.49 -0.95 1.42 4.21 -0.17 -1.40 115.58 119.52 1y9j h ASN 93 Ca 0.09 -0.01 0.08 0.00 1.21 0.00 0.00 56.30 57.67 1y9j h ASN 93 Cb 0.00 -0.12 -0.07 0.00 -1.12 0.00 0.00 38.32 37.02 1y9j h ASN 93 CO -0.02 0.36 0.61 0.40 -1.29 0.00 0.00 177.43 177.49 1y9j h ILE 94 N 0.59 1.03 0.00 2.81 1.08 0.08 0.14 117.51 123.23 1y9j h ILE 94 Ca 0.17 -0.36 -0.06 0.00 -0.39 0.00 0.00 64.86 64.22 1y9j h ILE 94 Cb -0.05 -0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 33.59 1y9j h ILE 94 CO -0.05 0.19 -0.29 0.44 -0.69 0.00 0.00 178.15 177.75 1y9j h ASP 95 N 1.04 0.00 -0.21 1.72 3.32 -0.64 -2.99 116.42 118.65 1y9j h ASP 95 Ca 0.42 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.28 1y9j h ASP 95 Cb 0.28 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.83 1y9j h ASP 95 CO -0.18 0.29 -0.62 0.03 -1.72 0.00 0.00 179.24 177.05 1y9j h ARG 96 N 0.00 0.79 -0.86 3.56 2.47 0.30 -2.18 114.38 118.46 1y9j h ARG 96 Ca -0.00 -0.57 0.00 0.00 -1.26 0.00 0.00 59.98 58.15 1y9j h ARG 96 Cb 0.78 0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 29.16 1y9j h ARG 96 CO 0.04 1.19 0.56 -0.07 0.56 0.00 0.00 179.97 182.24 1y9j h LEU 97 N 0.54 1.00 -1.22 3.04 -0.00 -1.16 0.14 115.31 117.66 1y9j h LEU 97 Ca -0.02 -0.04 -0.05 0.00 -0.00 0.00 0.00 57.88 57.77 1y9j h LEU 97 Cb 1.24 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 41.64 1y9j h LEU 97 CO 0.13 0.74 -0.25 0.00 -0.00 0.00 0.00 178.44 179.06 1y9j h GLN 99 N 0.00 0.13 -0.00 0.00 1.08 -0.50 -2.84 115.11 112.98 1y9j h GLN 99 Ca -0.00 -0.18 -0.17 0.00 -1.45 0.00 0.00 58.65 56.85 1y9j h GLN 99 Cb 0.71 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 28.18 1y9j h GLN 99 CO 0.03 1.02 -0.79 0.38 -0.95 0.00 0.00 178.83 178.53 1y9j h ASP 100 N -0.68 0.05 0.19 1.46 3.04 -0.76 -2.24 116.42 117.49 1y9j h ASP 100 Ca -0.04 -0.04 -0.13 0.00 -3.24 0.00 0.00 57.03 53.58 1y9j h ASP 100 Cb 1.15 -0.02 -0.01 0.00 -1.04 0.00 0.00 39.33 39.41 1y9j h ASP 100 CO 0.05 0.82 -0.47 -0.07 -2.04 0.00 0.00 179.24 177.53 1y9j h LEU 101 N 0.03 0.37 0.22 0.15 3.38 -0.78 -2.43 115.31 116.23 1y9j h LEU 101 Ca -0.01 -0.17 -0.32 0.00 0.09 0.00 0.00 57.88 57.46 1y9j h LEU 101 Cb 1.39 -0.10 0.03 0.00 0.09 0.00 0.00 40.66 42.07 1y9j h LEU 101 CO 0.11 0.79 -1.41 0.03 0.09 0.00 0.00 178.44 178.04 1y9j h ARG 102 N 0.27 0.51 0.00 1.13 3.08 -1.48 -3.24 114.38 114.65 1y9j h ARG 102 Ca 0.02 -0.84 -0.02 0.00 0.07 0.00 0.00 59.98 59.21 1y9j h ARG 102 Cb 0.94 0.31 -0.00 0.00 0.08 0.00 0.00 29.97 31.30 1y9j h ARG 102 CO 0.08 1.40 -0.07 -0.91 -1.07 0.00 0.00 179.97 179.40 1y9j h ASN 103 N 0.15 0.00 -5.11 7.04 2.35 -1.37 -3.47 115.58 115.18 1y9j h ASN 103 Ca -0.23 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.15 1y9j h ASN 103 Cb 2.11 0.00 0.11 0.00 0.05 0.00 0.00 38.32 40.59 1y9j h ASN 103 CO 0.26 0.07 -0.60 0.00 -1.65 0.00 0.00 177.43 175.51 1y9j n GLN 104 N -3.38 -6.63 -0.09 0.81 1.13 -0.92 -4.90 117.38 103.40 1y9j n GLN 104 Ca -0.01 0.78 -0.07 0.00 -1.94 0.00 0.00 57.00 55.75 1y9j n GLN 104 Cb 0.23 -5.58 0.01 0.00 0.11 0.00 0.00 30.24 25.01 1y9j n GLN 104 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1y9j h LEU 105 N -2.19 0.15 -8.93 1.08 3.38 -1.88 -3.40 115.31 103.53 1y9j h LEU 105 Ca -0.51 0.03 -0.50 0.00 0.09 0.00 0.00 57.88 56.99 1y9j h LEU 105 Cb 1.34 0.01 -0.15 0.00 0.09 0.00 0.00 40.66 41.94 1y9j h LEU 105 CO 0.51 0.13 -0.75 -0.31 0.09 0.00 0.00 178.44 178.11 1y9j s TYR 106 N -6.16 1.84 0.07 1.13 1.51 -1.26 0.20 117.35 114.68 1y9j s TYR 106 Ca -0.13 -0.50 -0.22 0.00 -1.01 0.00 0.00 57.07 55.20 1y9j s TYR 106 Cb 0.11 -0.86 -0.13 0.00 -0.11 0.00 0.00 41.96 40.97 1y9j s TYR 106 CO 0.71 0.42 1.60 1.49 -1.11 0.00 0.00 175.55 178.65 1y9j h GLU 107 N 2.68 0.13 -5.69 -0.62 4.81 -1.24 -3.43 114.58 111.22 1y9j h GLU 107 Ca -0.39 -0.03 -0.62 0.00 -0.13 0.00 0.00 59.36 58.19 1y9j h GLU 107 Cb 1.22 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.51 1y9j h GLU 107 CO 0.59 0.26 -0.35 -1.54 -0.73 0.00 0.00 179.01 177.24 1y9j s SER 108 N -5.48 4.48 -0.46 1.04 1.04 -1.26 -3.86 113.70 109.20 1y9j s SER 108 Ca -0.14 -1.41 0.07 0.00 0.48 0.00 0.00 55.95 54.95 1y9j s SER 108 Cb 0.06 0.57 0.24 0.00 0.10 0.00 0.00 66.02 66.98 1y9j s SER 108 CO 0.68 -1.09 0.75 -1.22 0.98 0.00 0.00 173.24 173.35 1y9j n TYR 109 N -1.66 -2.52 -1.66 5.02 4.02 -0.66 -2.64 117.16 117.06 1y9j n TYR 109 Ca -0.08 -2.25 -0.16 0.00 -0.01 0.00 0.00 57.90 55.40 1y9j n TYR 109 Cb 0.65 1.00 -0.08 0.00 -0.02 0.00 0.00 39.34 40.90 1y9j n TYR 109 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 1y9j s TYR 110 N 0.19 1.28 0.50 -0.72 6.14 0.56 -2.92 117.35 122.39 1y9j s TYR 110 Ca 0.33 1.85 -0.20 0.00 0.64 0.00 0.00 57.07 59.69 1y9j s TYR 110 Cb 0.18 -3.50 -0.08 0.00 0.42 0.00 0.00 41.96 38.98 1y9j s TYR 110 CO -0.19 -1.32 1.04 -0.51 0.64 0.00 0.00 175.55 175.21 1y9j s LEU 111 N 14.69 3.80 -0.22 6.97 1.43 0.27 0.14 118.68 145.76 1y9j s LEU 111 Ca 0.86 1.92 -0.09 0.00 -1.03 0.00 0.00 54.13 55.78 1y9j s LEU 111 Cb -0.09 -4.56 0.09 0.00 0.03 0.00 0.00 46.19 41.66 1y9j s LEU 111 CO 0.10 -0.83 0.50 0.21 0.23 0.00 0.00 176.35 176.56 1y9j s ASN 112 N -2.07 -0.59 -0.16 2.29 3.84 0.32 0.11 114.94 118.68 1y9j s ASN 112 Ca 0.67 1.16 -0.06 0.00 0.21 0.00 0.00 52.86 54.84 1y9j s ASN 112 Cb -0.16 1.43 -0.04 0.00 -0.55 0.00 0.00 41.25 41.93 1y9j s ASN 112 CO 0.22 -0.22 0.06 -0.36 -2.79 0.00 0.00 177.10 174.01 1y9j s PHE 113 N 2.29 3.27 0.01 0.43 0.08 -1.21 0.12 117.98 122.96 1y9j s PHE 113 Ca -0.05 0.13 0.14 0.00 0.12 0.00 0.00 56.93 57.27 1y9j s PHE 113 Cb -0.10 -2.01 0.21 0.00 -0.57 0.00 0.00 43.02 40.54 1y9j s PHE 113 CO -0.15 0.27 1.50 -0.84 -0.10 0.00 0.00 175.22 175.91 1y9j h ILE 114 N 4.65 1.06 -0.82 0.64 -2.65 -1.86 -3.35 117.51 115.20 1y9j h ILE 114 Ca -0.41 -2.24 -0.57 0.00 1.03 0.00 0.00 64.86 62.67 1y9j h ILE 114 Cb 1.18 2.35 -0.05 0.00 -2.05 0.00 0.00 36.82 38.25 1y9j h ILE 114 CO 0.66 0.55 -0.33 -0.55 0.03 0.00 0.00 178.15 178.51 1y9j s SER 115 N -6.52 4.67 -0.87 2.16 0.15 -1.26 -1.82 113.70 110.21 1y9j s SER 115 Ca 0.02 -1.15 -0.21 0.00 0.70 0.00 0.00 55.95 55.31 1y9j s SER 115 Cb 0.09 0.18 0.10 0.00 -1.71 0.00 0.00 66.02 64.68 1y9j s SER 115 CO 0.74 -0.98 1.14 0.00 1.20 0.00 0.00 173.24 175.34 1y9j s ALA 116 N -2.71 3.18 0.70 5.45 0.00 -1.26 -4.82 121.76 122.30 1y9j s ALA 116 Ca 0.37 -2.41 -0.11 0.00 0.00 0.00 0.00 51.96 49.81 1y9j s ALA 116 Cb -0.02 -4.08 0.01 0.00 0.00 0.00 0.00 23.12 19.03 1y9j s ALA 116 CO 0.22 -3.04 1.06 -1.50 0.00 0.00 0.00 175.76 172.51 1y9j s ILE 117 N 3.48 3.93 0.32 0.00 2.07 -1.26 -5.08 121.20 124.66 1y9j s ILE 117 Ca 0.32 0.63 0.08 0.00 -1.41 0.00 0.00 60.65 60.27 1y9j s ILE 117 Cb -0.07 -3.44 -0.04 0.00 0.13 0.00 0.00 42.46 39.04 1y9j s ILE 117 CO -0.04 -0.82 0.14 -0.55 -1.91 0.00 0.00 174.94 171.77 1y9j s SER 118 N -3.94 4.82 0.31 4.50 0.15 -1.26 -4.95 113.70 113.34 1y9j s SER 118 Ca 0.58 -0.66 0.06 0.00 0.70 0.00 0.00 55.95 56.63 1y9j s SER 118 Cb -0.13 -0.84 0.74 0.00 -1.71 0.00 0.00 66.02 64.07 1y9j s SER 118 CO 0.54 -0.23 1.80 0.03 1.20 0.00 0.00 173.24 176.59 1y9j h ARG 119 N 1.56 0.75 0.82 5.44 2.47 -1.98 0.59 114.38 124.04 1y9j h ARG 119 Ca -0.44 -0.05 -0.04 0.00 -1.26 0.00 0.00 59.98 58.19 1y9j h ARG 119 Cb 1.25 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 29.40 1y9j h ARG 119 CO 0.62 0.50 -0.46 1.03 0.56 0.00 0.00 179.97 182.22 1y9j h SER 120 N 0.78 -1.13 -0.70 7.04 0.87 -1.99 0.52 113.55 118.94 1y9j h SER 120 Ca 0.55 0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 61.11 1y9j h SER 120 Cb 0.83 0.31 -0.03 0.00 -0.44 0.00 0.00 62.40 63.08 1y9j h SER 120 CO -0.33 -0.73 0.26 0.11 -0.53 0.00 0.00 176.83 175.61 1y9j h LYS 121 N -1.19 1.07 0.03 2.24 1.57 -1.81 -2.84 116.57 115.65 1y9j h LYS 121 Ca -0.11 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1y9j h LYS 121 Cb 0.93 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1y9j h LYS 121 CO 0.14 0.89 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.83 1y9j h LEU 122 N 1.04 -0.03 -1.83 2.94 3.38 0.35 -1.95 115.31 119.21 1y9j h LEU 122 Ca 0.24 -0.05 0.23 0.00 0.09 0.00 0.00 57.88 58.38 1y9j h LEU 122 Cb 0.24 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 1y9j h LEU 122 CO -0.02 0.03 0.60 -0.33 0.09 0.00 0.00 178.44 178.82 1y9j h GLU 123 N -0.10 0.13 0.25 1.13 5.08 0.23 0.14 114.58 121.45 1y9j h GLU 123 Ca -0.00 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1y9j h GLU 123 Cb 0.08 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1y9j h GLU 123 CO 0.01 0.09 -0.12 0.22 -1.00 0.00 0.00 179.01 178.20 1y9j h ASP 124 N 0.13 -0.28 -0.23 1.42 1.82 -1.12 0.14 116.42 118.30 1y9j h ASP 124 Ca 0.42 -0.09 -0.02 0.00 -0.39 0.00 0.00 57.03 56.95 1y9j h ASP 124 Cb 1.46 0.07 -0.01 0.00 0.68 0.00 0.00 39.33 41.53 1y9j h ASP 124 CO -0.07 -0.08 0.05 0.40 -1.61 0.00 0.00 179.24 177.93 1y9j h ILE 125 N -0.47 1.22 -0.99 2.25 5.03 -0.83 0.91 117.51 124.63 1y9j h ILE 125 Ca -0.03 -0.72 0.10 0.00 -0.12 0.00 0.00 64.86 64.08 1y9j h ILE 125 Cb 0.36 1.25 -0.07 0.00 -3.03 0.00 0.00 36.82 35.32 1y9j h ILE 125 CO 0.06 0.23 0.63 0.00 -0.68 0.00 0.00 178.15 178.38 1y9j h ALA 126 N 0.86 1.50 0.00 1.87 0.00 -0.78 0.00 119.26 122.71 1y9j h ALA 126 Ca 0.07 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 1y9j h ALA 126 Cb 0.30 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1y9j h ALA 126 CO 0.00 0.31 -0.92 -0.91 0.00 0.00 0.00 179.25 177.73 1y9j h ASN 127 N 1.05 0.00 -0.92 0.00 -0.26 -0.40 -3.02 115.58 112.03 1y9j h ASN 127 Ca 0.46 0.00 0.25 0.00 -0.56 0.00 0.00 56.30 56.45 1y9j h ASN 127 Cb 0.35 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.57 1y9j h ASN 127 CO -0.21 0.92 0.65 0.00 -1.06 0.00 0.00 177.43 177.72 1y9j h ALA 128 N 1.08 2.71 0.13 -0.83 0.00 0.29 -0.32 119.26 122.32 1y9j h ALA 128 Ca -0.01 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.56 1y9j h ALA 128 Cb 1.66 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.50 1y9j h ALA 128 CO 0.12 -0.98 -1.65 0.00 0.00 0.00 0.00 179.25 176.73 1y9j h ALA 129 N 1.56 0.24 -0.82 0.00 0.00 -1.46 -3.35 119.26 115.43 1y9j h ALA 129 Ca 0.45 -1.19 0.24 0.00 0.00 0.00 0.00 54.91 54.41 1y9j h ALA 129 Cb 1.62 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 19.92 1y9j h ALA 129 CO -0.05 1.00 0.74 -0.07 0.00 0.00 0.00 179.25 180.87 1y9j h LEU 130 N -0.12 0.00 -1.36 0.00 3.38 -0.94 2.20 115.31 118.46 1y9j h LEU 130 Ca -0.35 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.56 1y9j h LEU 130 Cb 1.91 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.65 1y9j h LEU 130 CO 0.09 0.00 -0.20 0.00 0.09 0.00 0.00 178.44 178.41 1y9j h ALA 131 N 1.29 1.47 -0.00 1.53 0.00 -1.57 -3.10 119.26 118.88 1y9j h ALA 131 Ca 0.39 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1y9j h ALA 131 Cb 1.88 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1y9j h ALA 131 CO -0.00 0.38 -0.19 0.00 0.00 0.00 0.00 179.25 179.43 1y9j n ALA 132 N -2.49 2.58 -2.68 0.00 0.00 0.31 -5.01 120.51 113.22 1y9j n ALA 132 Ca -0.01 -0.17 -0.15 0.00 0.00 0.00 0.00 53.44 53.11 1y9j n ALA 132 Cb 0.31 -0.16 0.02 0.00 0.00 0.00 0.00 19.45 19.61 1y9j n ALA 132 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1y9j n ASN 133 N -0.97 -4.57 -4.72 0.00 2.85 0.66 -4.98 115.26 103.54 1y9j n ASN 133 Ca 0.01 -0.16 -0.41 0.00 -0.11 0.00 0.00 54.58 53.91 1y9j n ASN 133 Cb 0.08 -3.49 -0.04 0.00 1.24 0.00 0.00 39.78 37.57 1y9j n ASN 133 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1y9j s ALA 134 N -2.92 3.22 -0.39 5.20 0.00 -1.11 -4.95 121.76 120.81 1y9j s ALA 134 Ca 0.17 0.43 -0.28 0.00 0.00 0.00 0.00 51.96 52.28 1y9j s ALA 134 Cb -0.08 -3.22 -0.07 0.00 0.00 0.00 0.00 23.12 19.75 1y9j s ALA 134 CO 0.21 -0.16 2.33 0.28 0.00 0.00 0.00 175.76 178.42 1y9j n VAL 135 N 3.69 0.12 -4.38 0.00 0.31 -1.25 -4.76 118.33 112.05 1y9j n VAL 135 Ca 0.03 -0.56 -0.25 0.00 -0.01 0.00 0.00 64.34 63.55 1y9j n VAL 135 Cb 0.51 -2.46 -0.09 0.00 -0.91 0.00 0.00 33.84 30.88 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 9.95 2.84 -0.28 2.52 -4.23 -1.26 -1.65 115.64 123.53 1y9j s THR 136 Ca 1.03 -2.09 -0.08 0.00 -1.18 0.00 0.00 61.69 59.37 1y9j s THR 136 Cb -0.37 -2.47 0.13 0.00 1.34 0.00 0.00 72.50 71.13 1y9j s THR 136 CO 0.34 -0.30 0.60 0.00 -0.54 0.00 0.00 174.62 174.71 1y9j s GLN 137 N -3.30 0.53 -0.24 3.99 -2.07 -1.15 -4.95 119.66 112.47 1y9j s GLN 137 Ca 0.28 1.30 -0.19 0.00 -1.82 0.00 0.00 55.36 54.93 1y9j s GLN 137 Cb -0.06 0.70 -0.02 0.00 -1.09 0.00 0.00 33.01 32.54 1y9j s GLN 137 CO 0.16 -0.28 0.58 0.08 -1.32 0.00 0.00 175.29 174.51 1y9j s VAL 138 N 2.84 5.03 0.87 3.63 1.01 -1.26 0.96 120.40 133.47 1y9j s VAL 138 Ca -0.01 1.04 -0.09 0.00 0.00 0.00 0.00 61.98 62.92 1y9j s VAL 138 Cb -0.13 -3.89 0.18 0.00 0.00 0.00 0.00 36.38 32.54 1y9j s VAL 138 CO -0.18 0.08 1.19 0.00 0.00 0.00 0.00 175.10 176.19 1y9j s ALA 139 N 2.24 2.86 0.74 5.51 0.00 0.30 -4.95 121.76 128.46 1y9j s ALA 139 Ca 0.25 -1.48 -0.12 0.00 0.00 0.00 0.00 51.96 50.61 1y9j s ALA 139 Cb -0.16 -2.42 0.03 0.00 0.00 0.00 0.00 23.12 20.58 1y9j s ALA 139 CO 0.09 -2.07 1.11 -1.59 0.00 0.00 0.00 175.76 173.30 1y9j s LYS 140 N -5.59 2.59 0.07 0.00 -2.85 -1.26 -4.37 119.74 108.33 1y9j s LYS 140 Ca 0.72 0.42 0.01 0.00 -1.00 0.00 0.00 55.97 56.11 1y9j s LYS 140 Cb -0.04 -1.99 -0.04 0.00 -2.06 0.00 0.00 37.83 33.70 1y9j s LYS 140 CO 0.50 -1.21 0.19 0.08 0.10 0.00 0.00 175.35 175.00 1y9j s VAL 141 N -3.37 5.23 0.00 1.79 1.01 -1.25 -4.35 120.40 119.45 1y9j s VAL 141 Ca 0.59 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.10 1y9j s VAL 141 Cb -0.11 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1y9j s VAL 141 CO 0.52 0.13 0.00 2.22 0.00 0.00 0.00 175.10 177.96 1y9j n PHE 142 N 0.29 0.00 1.93 5.22 -1.74 -1.26 -4.70 117.46 117.20 1y9j n PHE 142 Ca -0.06 0.00 0.06 0.00 -0.56 0.00 0.00 57.45 56.90 1y9j n PHE 142 Cb 0.51 0.00 0.37 0.00 1.52 0.00 0.00 39.48 41.88 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 -2.15 0.14 0.30 5.98 9.92 -1.09 -3.82 116.55 125.83 1y9j n ASP 143 Ca 0.00 -1.62 0.18 0.00 -0.53 0.00 0.00 54.79 52.82 1y9j n ASP 143 Cb 0.44 -0.01 0.96 0.00 -0.64 0.00 0.00 41.12 41.87 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 0.17 0.00 0.00 -1.24 -0.00 -1.64 -2.83 115.11 109.57 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 0.04 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.52 1y9j h GLN 144 CO 0.00 0.03 -1.02 2.48 0.00 0.00 0.00 178.83 180.33 1y9j n TYR 145 N -3.36 0.00 -4.21 3.99 4.11 -1.25 -4.90 117.16 111.53 1y9j n TYR 145 Ca -0.02 0.00 -0.14 0.00 -0.00 0.00 0.00 57.90 57.74 1y9j n TYR 145 Cb 0.15 -0.12 -0.05 0.00 -0.00 0.00 0.00 39.34 39.32 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 -1.57 0.00 0.00 -3.48 -0.00 -1.07 -5.20 117.00 105.68 1y9j n LEU 146 Ca -0.00 -2.08 0.00 0.00 -0.00 0.00 0.00 56.01 53.93 1y9j n LEU 146 Cb 0.18 1.02 0.00 0.00 -0.00 0.00 0.00 43.42 44.62 1y9j n LEU 146 CO 0.16 -0.34 0.00 -3.20 -0.00 0.00 0.00 177.39 174.01