#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 0.37 0.45 0.00 0.02 -2.06 -1.77 113.55 110.56 1y9j h SER 9 Ca 0.00 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1y9j h SER 9 Cb 0.00 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.45 1y9j h SER 9 CO 0.00 0.32 -0.22 0.40 -1.14 0.00 0.00 176.83 176.19 1y9j h ILE 10 N 0.42 0.11 -1.14 3.27 1.08 -2.01 -2.94 117.51 116.30 1y9j h ILE 10 Ca 0.11 -0.57 0.33 0.00 -0.39 0.00 0.00 64.86 64.34 1y9j h ILE 10 Cb 0.04 0.17 -0.05 0.00 -3.07 0.00 0.00 36.82 33.92 1y9j h ILE 10 CO -0.02 0.02 0.84 -0.09 -0.69 0.00 0.00 178.15 178.22 1y9j h ARG 11 N -1.13 0.00 -0.34 2.37 9.65 -1.93 0.59 114.38 123.59 1y9j h ARG 11 Ca -0.06 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.77 1y9j h ARG 11 Cb 0.51 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.07 1y9j h ARG 11 CO 0.10 0.00 0.02 0.93 2.80 0.00 0.00 179.97 183.82 1y9j h GLU 12 N 0.00 0.60 -0.00 0.20 5.08 -1.25 -2.66 114.58 116.55 1y9j h GLU 12 Ca 0.54 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.66 1y9j h GLU 12 Cb 2.21 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 31.40 1y9j h GLU 12 CO -0.01 0.71 -0.30 0.07 -1.00 0.00 0.00 179.01 178.48 1y9j h ARG 13 N 0.41 0.00 -0.66 2.33 0.11 0.33 -2.41 114.38 114.49 1y9j h ARG 13 Ca 0.10 -0.00 0.08 0.00 0.10 0.00 0.00 59.98 60.26 1y9j h ARG 13 Cb 0.43 -0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.44 1y9j h ARG 13 CO 0.01 0.30 0.33 1.96 0.10 0.00 0.00 179.97 182.68 1y9j h GLN 14 N 0.00 0.57 -0.18 0.08 4.20 -0.99 0.51 115.11 119.30 1y9j h GLN 14 Ca -0.00 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.61 1y9j h GLN 14 Cb 0.54 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1y9j h GLN 14 CO 0.04 0.38 -0.16 1.15 -0.67 0.00 0.00 178.83 179.57 1y9j h THR 15 N 0.59 1.21 -0.12 -0.54 2.02 -1.32 -3.00 112.91 111.73 1y9j h THR 15 Ca 0.32 -0.92 0.03 0.00 0.77 0.00 0.00 66.41 66.61 1y9j h THR 15 Cb 0.29 1.25 -0.06 0.00 -1.74 0.00 0.00 68.15 67.89 1y9j h THR 15 CO -0.24 0.29 -0.50 0.58 0.37 0.00 0.00 175.52 176.02 1y9j h VAL 16 N 0.28 0.05 -0.48 3.16 2.07 -0.70 1.21 116.25 121.84 1y9j h VAL 16 Ca 0.05 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.62 1y9j h VAL 16 Cb 0.45 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 1y9j h VAL 16 CO 0.03 0.00 0.32 0.00 0.02 0.00 0.00 177.57 177.94 1y9j h ALA 17 N -0.15 1.86 0.16 1.67 0.00 -1.47 -1.49 119.26 119.84 1y9j h ALA 17 Ca 0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1y9j h ALA 17 Cb 0.67 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1y9j h ALA 17 CO -0.42 0.07 -0.08 -0.07 0.00 0.00 0.00 179.25 178.75 1y9j h LEU 18 N 0.46 -0.19 -1.05 0.00 3.38 -0.69 -3.05 115.31 114.18 1y9j h LEU 18 Ca 0.20 0.01 0.28 0.00 0.09 0.00 0.00 57.88 58.46 1y9j h LEU 18 Cb 0.21 0.05 -0.13 0.00 0.09 0.00 0.00 40.66 40.88 1y9j h LEU 18 CO -0.05 -0.05 0.60 0.11 0.09 0.00 0.00 178.44 179.14 1y9j h LYS 19 N -0.39 0.43 -0.15 1.13 1.57 0.14 0.67 116.57 119.98 1y9j h LYS 19 Ca -0.02 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1y9j h LYS 19 Cb 0.17 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 1y9j h LYS 19 CO 0.04 0.29 -0.04 0.00 -0.57 0.00 0.00 179.45 179.17 1y9j h ARG 20 N 0.45 0.00 0.00 3.15 3.08 -1.35 0.96 114.38 120.67 1y9j h ARG 20 Ca 0.68 -0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.68 1y9j h ARG 20 Cb 1.47 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.52 1y9j h ARG 20 CO -0.51 0.00 -0.26 0.00 -1.07 0.00 0.00 179.97 178.13 1y9j h MET 21 N 0.00 0.00 0.00 0.04 -0.00 -0.78 0.90 114.93 115.08 1y9j h MET 21 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.77 1y9j h MET 21 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.71 1y9j h MET 21 CO -0.16 0.26 -0.50 1.28 -0.00 0.00 0.00 176.91 177.80 1y9j n LEU 22 N -3.17 0.49 0.00 -0.10 4.77 0.21 -4.53 117.00 114.68 1y9j n LEU 22 Ca 0.03 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1y9j n LEU 22 Cb 0.63 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1y9j n LEU 22 CO 0.37 0.10 -0.23 0.59 -1.33 0.00 0.00 177.39 176.90 1y9j n ASN 23 N -1.56 1.67 -4.47 -1.43 3.02 0.33 -4.69 115.26 108.12 1y9j n ASN 23 Ca 0.05 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.18 1y9j n ASN 23 Cb 0.35 0.00 -0.04 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 -1.51 2.65 0.12 3.10 5.36 0.31 -5.01 117.98 123.00 1y9j s PHE 24 Ca 0.00 -0.42 -0.28 0.00 -0.96 0.00 0.00 56.93 55.27 1y9j s PHE 24 Cb 0.00 -4.29 -0.06 0.00 -0.34 0.00 0.00 43.02 38.32 1y9j s PHE 24 CO 0.00 -1.65 0.89 0.54 -1.46 0.00 0.00 175.22 173.54 1y9j s ASN 25 N 3.56 7.44 0.50 6.13 4.22 -1.26 -4.45 114.94 131.08 1y9j s ASN 25 Ca 0.25 1.72 -0.21 0.00 -2.14 0.00 0.00 52.86 52.48 1y9j s ASN 25 Cb -0.15 -2.55 -0.07 0.00 1.28 0.00 0.00 41.25 39.75 1y9j s ASN 25 CO 0.12 0.02 1.10 0.68 -2.04 0.00 0.00 177.10 176.97 1y9j s VAL 26 N -0.31 3.40 -0.35 3.54 -7.23 -1.26 -4.89 120.40 113.31 1y9j s VAL 26 Ca 0.43 0.92 -0.37 0.00 -1.81 0.00 0.00 61.98 61.16 1y9j s VAL 26 Cb -0.23 -3.40 -0.13 0.00 0.56 0.00 0.00 36.38 33.18 1y9j s VAL 26 CO 0.28 -0.14 2.12 -2.65 -0.31 0.00 0.00 175.10 174.40 1y9j n PRO 27 N -0.93 1.02 -4.32 4.82 -0.02 -1.26 -4.94 135.00 129.36 1y9j n PRO 27 Ca 0.09 0.29 -0.25 0.00 -2.02 0.00 0.00 63.50 61.62 1y9j n PRO 27 Cb 0.51 -2.33 -0.09 0.00 -0.02 0.00 0.00 33.50 31.57 1y9j n PRO 27 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1y9j s HIS 28 N 6.64 2.56 -0.74 6.00 2.46 -1.26 -5.08 115.29 125.87 1y9j s HIS 28 Ca 1.09 -0.55 -0.24 0.00 0.47 0.00 0.00 55.06 55.82 1y9j s HIS 28 Cb -0.94 -1.74 0.05 0.00 -0.13 0.00 0.00 32.58 29.82 1y9j s HIS 28 CO 0.53 0.36 1.16 0.08 -2.47 0.00 0.00 174.74 174.39 1y9j s VAL 29 N -2.59 4.05 -0.47 0.89 1.01 -1.26 -4.99 120.40 117.04 1y9j s VAL 29 Ca 0.37 -0.14 -0.22 0.00 0.00 0.00 0.00 61.98 61.99 1y9j s VAL 29 Cb 0.04 -4.83 0.03 0.00 0.00 0.00 0.00 36.38 31.62 1y9j s VAL 29 CO 0.20 -1.68 0.76 -1.59 0.00 0.00 0.00 175.10 172.79 1y9j s LYS 30 N 4.79 3.33 0.07 2.72 -2.85 -1.26 -4.93 119.74 121.62 1y9j s LYS 30 Ca 0.31 -0.29 -0.19 0.00 -1.00 0.00 0.00 55.97 54.80 1y9j s LYS 30 Cb -0.11 -3.98 -0.10 0.00 -2.06 0.00 0.00 37.83 31.58 1y9j s LYS 30 CO 0.09 -1.16 1.49 -0.97 0.10 0.00 0.00 175.35 174.89 1y9j h ASN 31 N 9.01 0.39 -3.63 0.03 -0.73 -2.02 -3.39 115.58 115.23 1y9j h ASN 31 Ca -0.25 -0.34 -0.68 0.00 1.87 0.00 0.00 56.30 56.90 1y9j h ASN 31 Cb 1.09 -0.10 -0.36 0.00 0.27 0.00 0.00 38.32 39.21 1y9j h ASN 31 CO 0.97 0.63 -0.65 -0.44 -0.37 0.00 0.00 177.43 177.56 1y9j s SER 32 N -5.93 4.98 -0.19 1.15 0.01 -1.26 -5.08 113.70 107.38 1y9j s SER 32 Ca -0.14 -1.86 -0.29 0.00 1.31 0.00 0.00 55.95 54.97 1y9j s SER 32 Cb 0.07 -1.73 -0.04 0.00 0.21 0.00 0.00 66.02 64.53 1y9j s SER 32 CO 0.74 -0.41 1.81 -2.16 0.41 0.00 0.00 173.24 173.63 1y9j s PRO 33 N 1.09 3.69 0.00 12.44 0.04 -1.26 -3.30 135.00 147.70 1y9j s PRO 33 Ca 0.05 1.87 0.00 0.00 0.04 0.00 0.00 61.00 62.96 1y9j s PRO 33 Cb -0.21 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.20 1y9j s PRO 33 CO -0.05 -1.44 0.00 0.41 0.04 0.00 0.00 177.00 175.96 1y9j n GLY 34 N 4.91 1.20 3.85 0.56 0.00 -1.26 -5.14 105.19 109.32 1y9j n GLY 34 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 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 3.85 0.76 1.61 2.02 -1.21 -5.04 118.70 120.69 1y9j s GLU 35 Ca 0.00 0.80 -0.13 0.00 0.02 0.00 0.00 54.97 55.66 1y9j s GLU 35 Cb 0.00 -2.19 0.06 0.00 0.10 0.00 0.00 34.13 32.09 1y9j s GLU 35 CO 0.00 -0.26 1.15 -1.25 0.02 0.00 0.00 175.26 174.92 1y9j s PRO 36 N -4.18 2.09 -0.51 0.39 0.04 -1.26 -5.00 135.00 126.56 1y9j s PRO 36 Ca 0.56 1.51 -0.09 0.00 0.04 0.00 0.00 61.00 63.03 1y9j s PRO 36 Cb -0.10 -1.85 0.13 0.00 0.04 0.00 0.00 34.50 32.72 1y9j s PRO 36 CO 0.35 -1.82 0.39 0.08 0.04 0.00 0.00 177.00 176.03 1y9j s VAL 37 N -2.38 4.28 0.59 -0.36 1.01 -1.26 -5.08 120.40 117.20 1y9j s VAL 37 Ca 0.68 -1.94 -0.16 0.00 0.00 0.00 0.00 61.98 60.56 1y9j s VAL 37 Cb -0.23 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 1y9j s VAL 37 CO 0.49 -0.81 1.07 0.26 0.00 0.00 0.00 175.10 176.12 1y9j s TRP 38 N 1.15 2.89 0.02 5.22 0.52 -1.26 -4.94 118.94 122.55 1y9j s TRP 38 Ca 0.08 1.53 0.01 0.00 0.02 0.00 0.00 56.10 57.73 1y9j s TRP 38 Cb -0.25 -3.06 -0.02 0.00 -1.15 0.00 0.00 33.47 28.99 1y9j s TRP 38 CO -0.02 -1.23 -0.04 0.15 0.02 0.00 0.00 176.95 175.83 1y9j s LYS 39 N -3.95 0.35 0.27 4.98 1.02 0.06 -4.23 119.74 118.23 1y9j s LYS 39 Ca 0.65 -0.60 0.09 0.00 0.02 0.00 0.00 55.97 56.13 1y9j s LYS 39 Cb -0.17 -0.02 -0.04 0.00 -0.52 0.00 0.00 37.83 37.08 1y9j s LYS 39 CO 0.36 -0.02 0.06 0.08 -0.92 0.00 0.00 175.35 174.91 1y9j s VAL 40 N -1.31 3.63 -0.07 3.17 1.01 0.12 -1.26 120.40 125.70 1y9j s VAL 40 Ca -0.13 -1.77 -0.05 0.00 0.00 0.00 0.00 61.98 60.03 1y9j s VAL 40 Cb -0.09 -2.99 0.02 0.00 0.00 0.00 0.00 36.38 33.32 1y9j s VAL 40 CO -0.01 -0.35 0.17 -0.22 0.00 0.00 0.00 175.10 174.70 1y9j s LEU 41 N -3.73 1.24 -0.24 3.92 2.96 -0.84 0.14 118.68 122.12 1y9j s LEU 41 Ca 0.32 0.34 0.01 0.00 -0.22 0.00 0.00 54.13 54.59 1y9j s LEU 41 Cb -0.06 0.56 0.06 0.00 0.50 0.00 0.00 46.19 47.25 1y9j s LEU 41 CO 0.21 -0.07 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.50 1y9j s ILE 42 N 0.27 1.53 0.25 6.68 -1.09 1.05 -2.68 121.20 127.21 1y9j s ILE 42 Ca -0.01 -1.27 0.10 0.00 -2.23 0.00 0.00 60.65 57.24 1y9j s ILE 42 Cb -0.03 -1.82 -0.04 0.00 -1.58 0.00 0.00 42.46 38.99 1y9j s ILE 42 CO -0.01 -0.14 -0.08 -0.72 -1.23 0.00 0.00 174.94 172.76 1y9j s TYR 43 N 1.39 2.56 0.00 3.97 1.13 -1.15 -0.39 117.35 124.86 1y9j s TYR 43 Ca -0.05 -0.26 0.00 0.00 -1.41 0.00 0.00 57.07 55.36 1y9j s TYR 43 Cb -0.19 -1.16 0.00 0.00 -1.10 0.00 0.00 41.96 39.51 1y9j s TYR 43 CO -0.07 0.62 0.00 -3.47 -2.51 0.00 0.00 175.55 170.12 1y9j n ASP 44 N -0.57 1.22 -0.18 -0.18 2.03 -1.24 -3.04 116.55 114.58 1y9j n ASP 44 Ca -0.07 -0.92 -0.08 0.00 0.52 0.00 0.00 54.79 54.24 1y9j n ASP 44 Cb 0.58 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.96 1y9j n ASP 44 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1y9j h ARG 45 N 0.00 -0.22 -0.87 -0.67 -0.00 -2.00 0.10 114.38 110.72 1y9j h ARG 45 Ca 0.00 0.02 -0.03 0.00 -0.50 0.00 0.00 59.98 59.47 1y9j h ARG 45 Cb 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 29.97 29.98 1y9j h ARG 45 CO 0.00 -0.15 0.44 0.74 0.00 0.00 0.00 179.97 181.01 1y9j h PHE 46 N -0.23 1.23 -0.85 3.04 -1.00 -1.95 -2.57 116.94 114.61 1y9j h PHE 46 Ca 0.19 -0.05 0.21 0.00 2.81 0.00 0.00 57.97 61.13 1y9j h PHE 46 Cb 0.56 -0.39 -0.13 0.00 3.61 0.00 0.00 35.95 39.60 1y9j h PHE 46 CO -0.66 0.87 0.24 0.78 -1.61 0.00 0.00 178.31 177.94 1y9j h GLY 47 N 1.24 1.30 1.81 -1.45 0.00 -1.05 0.95 103.07 105.88 1y9j h GLY 47 Ca 0.30 -0.05 -0.09 0.00 0.00 0.00 0.00 47.33 47.49 1y9j h GLY 47 CO -0.04 -0.31 -0.33 1.46 0.00 0.00 0.00 176.54 177.32 1y9j h GLN 48 N 0.25 0.21 0.00 4.80 4.20 -0.99 0.92 115.11 124.51 1y9j h GLN 48 Ca 0.52 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 59.15 1y9j h GLN 48 Cb 1.00 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.77 1y9j h GLN 48 CO -0.60 0.52 0.00 -3.47 -0.67 0.00 0.00 178.83 174.61 1y9j n ASP 49 N -4.10 0.16 0.00 1.46 -0.08 0.32 -2.58 116.55 111.73 1y9j n ASP 49 Ca -0.01 0.55 0.00 0.00 -1.51 0.00 0.00 54.79 53.81 1y9j n ASP 49 Cb 0.41 -0.58 0.00 0.00 2.34 0.00 0.00 41.12 43.29 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 -1.68 0.00 0.19 5.18 5.41 -0.74 -4.65 119.36 123.07 1y9j n ILE 50 Ca 0.02 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.63 1y9j n ILE 50 Cb 0.15 -0.49 -0.08 0.00 -0.71 0.00 0.00 39.64 38.51 1y9j n ILE 50 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1y9j h ILE 51 N 0.00 0.63 0.70 1.39 2.04 0.78 -3.10 117.51 119.94 1y9j h ILE 51 Ca 0.00 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.40 1y9j h ILE 51 Cb 0.83 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 1y9j h ILE 51 CO 0.00 0.08 -0.50 0.28 0.00 0.00 0.00 178.15 178.01 1y9j h SER 52 N -0.74 -1.30 -0.57 1.72 0.02 -1.61 1.32 113.55 112.39 1y9j h SER 52 Ca -0.05 0.08 0.17 0.00 -0.84 0.00 0.00 61.79 61.15 1y9j h SER 52 Cb 0.51 0.40 -0.02 0.00 0.14 0.00 0.00 62.40 63.42 1y9j h SER 52 CO 0.08 -0.73 0.75 1.55 -1.14 0.00 0.00 176.83 177.34 1y9j h PRO 53 N -1.14 0.00 0.00 3.45 0.13 -1.72 0.32 132.00 133.03 1y9j h PRO 53 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1y9j h PRO 53 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1y9j h PRO 53 CO 0.05 0.00 -0.04 1.28 -0.23 0.00 0.00 178.00 179.06 1y9j n LEU 54 N -3.38 1.70 -3.46 1.56 4.77 -0.96 -5.06 117.00 112.16 1y9j n LEU 54 Ca 0.12 -2.00 -0.12 0.00 -0.03 0.00 0.00 56.01 53.98 1y9j n LEU 54 Cb 0.95 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.88 1y9j n LEU 54 CO 0.23 0.48 0.51 -0.22 -1.33 0.00 0.00 177.39 177.06 1y9j s LEU 55 N -1.36 -0.51 0.45 2.23 0.20 0.45 -5.01 118.68 115.13 1y9j s LEU 55 Ca 0.10 0.10 0.03 0.00 0.69 0.00 0.00 54.13 55.05 1y9j s LEU 55 Cb 0.08 2.38 -0.02 0.00 -0.43 0.00 0.00 46.19 48.21 1y9j s LEU 55 CO 0.01 -0.79 0.10 -0.44 -0.29 0.00 0.00 176.35 174.93 1y9j s SER 56 N -2.41 3.24 0.03 3.68 0.01 -1.26 -3.89 113.70 113.10 1y9j s SER 56 Ca 0.01 -1.70 -0.21 0.00 1.31 0.00 0.00 55.95 55.36 1y9j s SER 56 Cb -0.01 0.56 -0.16 0.00 0.21 0.00 0.00 66.02 66.62 1y9j s SER 56 CO -0.08 -0.94 1.29 0.58 0.41 0.00 0.00 173.24 174.50 1y9j h VAL 57 N 1.63 1.37 -0.11 3.43 2.07 -1.98 -1.87 116.25 120.79 1y9j h VAL 57 Ca -0.37 -1.42 -0.09 0.00 0.82 0.00 0.00 66.70 65.64 1y9j h VAL 57 Cb 1.29 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 33.07 1y9j h VAL 57 CO 0.61 0.41 -0.33 0.11 0.02 0.00 0.00 177.57 178.38 1y9j h LYS 58 N -0.09 0.23 0.00 1.57 1.57 -2.00 -2.34 116.57 115.50 1y9j h LYS 58 Ca 0.01 -0.09 -0.11 0.00 -1.87 0.00 0.00 60.65 58.59 1y9j h LYS 58 Cb 0.74 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 1y9j h LYS 58 CO 0.04 0.54 -0.54 0.93 -0.57 0.00 0.00 179.45 179.85 1y9j h GLU 59 N 0.20 0.00 0.13 3.15 4.39 -1.96 -1.40 114.58 119.08 1y9j h GLU 59 Ca 0.03 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 1y9j h GLU 59 Cb 0.69 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1y9j h GLU 59 CO 0.05 0.54 -0.06 -0.07 -1.16 0.00 0.00 179.01 178.31 1y9j h LEU 60 N 0.00 -0.14 -0.55 1.33 3.38 -0.79 0.32 115.31 118.86 1y9j h LEU 60 Ca -0.01 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 1y9j h LEU 60 Cb 1.20 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 1y9j h LEU 60 CO 0.07 -0.06 -0.41 0.03 0.09 0.00 0.00 178.44 178.16 1y9j h ARG 61 N -0.22 0.00 0.00 1.13 2.47 -1.52 -2.73 114.38 113.52 1y9j h ARG 61 Ca -0.02 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.62 1y9j h ARG 61 Cb 0.17 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.48 1y9j h ARG 61 CO 0.03 0.41 -0.40 -0.44 0.56 0.00 0.00 179.97 180.13 1y9j h ASP 62 N 0.00 0.00 1.72 7.04 5.19 -0.91 -3.11 116.42 126.35 1y9j h ASP 62 Ca -0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1y9j h ASP 62 Cb 1.10 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.61 1y9j h ASP 62 CO 0.05 0.40 -0.00 0.24 -3.12 0.00 0.00 179.24 176.82 1y9j h MET 63 N 0.00 0.00 0.00 3.56 2.86 -0.28 -3.46 114.93 117.60 1y9j h MET 63 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1y9j h MET 63 Cb 1.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.86 1y9j h MET 63 CO 0.05 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.43 1y9j n GLY 64 N 0.80 1.38 3.58 8.32 0.00 -1.17 -4.81 105.19 113.27 1y9j n GLY 64 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 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 4.59 -0.51 -0.61 2.07 -1.04 -0.76 121.20 122.94 1y9j s ILE 65 Ca 0.00 -0.10 0.23 0.00 -1.41 0.00 0.00 60.65 59.37 1y9j s ILE 65 Cb 0.00 -3.08 -0.09 0.00 0.13 0.00 0.00 42.46 39.42 1y9j s ILE 65 CO 0.00 0.43 1.03 1.07 -1.91 0.00 0.00 174.94 175.56 1y9j n THR 66 N 3.88 0.25 -3.64 4.00 5.66 -0.39 -4.48 114.28 119.56 1y9j n THR 66 Ca -0.16 -0.31 -0.06 0.00 -3.05 0.00 0.00 64.05 60.47 1y9j n THR 66 Cb 0.52 0.06 -0.07 0.00 -1.55 0.00 0.00 70.33 69.29 1y9j n THR 66 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1y9j s LEU 67 N -4.24 -0.40 -0.12 1.09 1.98 -1.26 -5.05 118.68 110.68 1y9j s LEU 67 Ca 0.02 0.72 -0.04 0.00 -2.89 0.00 0.00 54.13 51.95 1y9j s LEU 67 Cb 0.13 1.70 0.06 0.00 0.66 0.00 0.00 46.19 48.74 1y9j s LEU 67 CO 0.80 -0.12 0.19 -1.38 -1.89 0.00 0.00 176.35 173.94 1y9j s HIS 68 N 0.62 -0.23 0.21 5.38 -3.43 -1.26 -1.99 115.29 114.59 1y9j s HIS 68 Ca -0.01 0.58 -0.03 0.00 -0.80 0.00 0.00 55.06 54.80 1y9j s HIS 68 Cb -0.04 -0.25 -0.03 0.00 -1.43 0.00 0.00 32.58 30.82 1y9j s HIS 68 CO -0.11 -0.35 0.19 -0.48 -2.00 0.00 0.00 174.74 171.99 1y9j s LEU 69 N 2.32 1.02 -0.09 5.38 -0.00 -1.09 -5.02 118.68 121.20 1y9j s LEU 69 Ca 0.03 -1.32 -0.21 0.00 -0.00 0.00 0.00 54.13 52.64 1y9j s LEU 69 Cb -0.13 0.61 -0.04 0.00 -0.00 0.00 0.00 46.19 46.63 1y9j s LEU 69 CO -0.07 -0.89 0.59 -0.76 -0.00 0.00 0.00 176.35 175.21 1y9j s LEU 70 N -3.14 4.30 0.58 1.48 1.43 -1.26 -2.92 118.68 119.15 1y9j s LEU 70 Ca 0.36 1.00 0.31 0.00 -1.03 0.00 0.00 54.13 54.78 1y9j s LEU 70 Cb 0.06 -2.89 1.40 0.00 0.03 0.00 0.00 46.19 44.79 1y9j s LEU 70 CO 0.12 -0.05 1.75 -0.07 0.23 0.00 0.00 176.35 178.33 1y9j h LEU 71 N 6.69 0.00 -3.48 1.79 4.07 -1.89 0.87 115.31 123.35 1y9j h LEU 71 Ca -0.41 0.00 -0.39 0.00 0.08 0.00 0.00 57.88 57.16 1y9j h LEU 71 Cb 1.19 0.00 -0.19 0.00 1.08 0.00 0.00 40.66 42.74 1y9j h LEU 71 CO 0.75 0.00 0.50 1.57 -1.08 0.00 0.00 178.44 180.18 1y9j n HIS 72 N -3.75 2.04 -3.96 1.13 -0.00 -1.26 -4.89 115.22 104.52 1y9j n HIS 72 Ca 0.16 -1.89 -0.11 0.00 0.46 0.00 0.00 57.72 56.35 1y9j n HIS 72 Cb 1.01 -0.93 -0.03 0.00 -0.12 0.00 0.00 29.99 29.93 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 -0.28 -0.81 -4.65 0.26 7.64 0.30 -5.12 113.62 110.95 1y9j n SER 73 Ca 0.40 -2.31 -0.43 0.00 1.01 0.00 0.00 58.87 57.53 1y9j n SER 73 Cb 0.90 1.57 -0.02 0.00 -1.01 0.00 0.00 64.21 65.65 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 -2.48 6.99 0.06 6.43 1.11 -1.26 -4.90 116.67 122.62 1y9j s ASP 74 Ca 0.21 1.43 -0.13 0.00 0.18 0.00 0.00 52.55 54.24 1y9j s ASP 74 Cb -0.00 -2.54 -0.06 0.00 1.07 0.00 0.00 42.92 41.39 1y9j s ASP 74 CO 0.15 -0.77 0.43 -0.13 1.18 0.00 0.00 175.17 176.04 1y9j s ARG 75 N 3.45 3.87 0.02 8.23 0.52 -1.26 -4.91 118.95 128.87 1y9j s ARG 75 Ca 0.49 0.33 -0.07 0.00 -0.52 0.00 0.00 55.73 55.96 1y9j s ARG 75 Cb -0.17 -3.07 -0.05 0.00 0.52 0.00 0.00 34.95 32.18 1y9j s ARG 75 CO 0.12 0.60 0.29 -0.51 0.02 0.00 0.00 175.30 175.81 1y9j s ASP 76 N -1.49 6.52 -0.47 0.23 1.11 -1.26 -5.06 116.67 116.26 1y9j s ASP 76 Ca 0.30 0.60 -0.27 0.00 0.18 0.00 0.00 52.55 53.36 1y9j s ASP 76 Cb -0.15 -2.10 0.03 0.00 1.07 0.00 0.00 42.92 41.76 1y9j s ASP 76 CO 0.17 0.24 1.01 -2.16 1.18 0.00 0.00 175.17 175.60 1y9j s PRO 77 N -1.80 3.61 -0.44 8.23 0.04 -1.26 -4.79 135.00 138.59 1y9j s PRO 77 Ca 0.29 0.32 0.08 0.00 0.04 0.00 0.00 61.00 61.73 1y9j s PRO 77 Cb -0.13 -3.92 0.29 0.00 0.04 0.00 0.00 34.50 30.77 1y9j s PRO 77 CO 0.17 -1.28 0.65 -0.89 0.04 0.00 0.00 177.00 175.69 1y9j n ILE 78 N 6.58 0.28 0.30 0.56 -0.00 0.44 -4.92 119.36 122.60 1y9j n ILE 78 Ca 0.08 -4.51 0.18 0.00 -0.00 0.00 0.00 62.75 58.51 1y9j n ILE 78 Cb 0.49 -1.47 0.96 0.00 -0.00 0.00 0.00 39.64 39.61 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 3.67 0.00 -0.80 0.38 0.11 -1.19 -2.01 114.38 114.54 1y9j h ARG 79 Ca 0.10 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.18 1y9j h ARG 79 Cb 0.83 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.91 1y9j h ARG 79 CO 0.56 0.03 0.00 -3.47 0.10 0.00 0.00 179.97 177.20 1y9j n ASP 80 N -3.41 3.06 -3.74 0.08 -0.08 -1.26 -2.61 116.55 108.58 1y9j n ASP 80 Ca -0.02 -2.40 -0.12 0.00 -1.51 0.00 0.00 54.79 50.74 1y9j n ASP 80 Cb 0.14 -0.57 -0.13 0.00 2.34 0.00 0.00 41.12 42.91 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 -1.77 -0.03 0.21 5.18 1.01 -0.76 -4.99 120.40 119.26 1y9j s VAL 81 Ca 0.24 0.10 -0.31 0.00 0.00 0.00 0.00 61.98 62.02 1y9j s VAL 81 Cb 0.18 -0.38 -0.10 0.00 0.00 0.00 0.00 36.38 36.08 1y9j s VAL 81 CO 0.07 0.04 1.51 -2.16 0.00 0.00 0.00 175.10 174.57 1y9j s PRO 82 N 0.95 4.23 0.27 2.72 0.04 -1.26 -2.54 135.00 139.41 1y9j s PRO 82 Ca -0.07 2.35 0.09 0.00 0.04 0.00 0.00 61.00 63.42 1y9j s PRO 82 Cb -0.08 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 1y9j s PRO 82 CO -0.06 -0.52 0.00 0.00 0.04 0.00 0.00 177.00 176.46 1y9j s ALA 83 N 0.53 3.18 0.02 8.56 0.00 -1.07 0.15 121.76 133.13 1y9j s ALA 83 Ca 0.65 -1.66 0.06 0.00 0.00 0.00 0.00 51.96 51.01 1y9j s ALA 83 Cb -0.43 -0.78 -0.02 0.00 0.00 0.00 0.00 23.12 21.89 1y9j s ALA 83 CO 0.38 0.26 -0.18 0.08 0.00 0.00 0.00 175.76 176.30 1y9j s VAL 84 N -2.33 1.41 -0.54 0.00 1.01 0.36 0.72 120.40 121.04 1y9j s VAL 84 Ca 0.32 -0.97 0.06 0.00 0.00 0.00 0.00 61.98 61.39 1y9j s VAL 84 Cb -0.06 -1.22 0.24 0.00 0.00 0.00 0.00 36.38 35.33 1y9j s VAL 84 CO 0.20 0.23 0.62 -1.22 0.00 0.00 0.00 175.10 174.92 1y9j n TYR 85 N 2.18 1.89 -2.54 5.22 4.02 0.43 0.34 117.16 128.70 1y9j n TYR 85 Ca -0.16 -3.90 -0.41 0.00 -0.01 0.00 0.00 57.90 53.41 1y9j n TYR 85 Cb 0.54 -0.43 -0.02 0.00 -0.02 0.00 0.00 39.34 39.40 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 -1.75 2.58 0.31 -0.72 5.36 0.47 -0.93 117.98 123.29 1y9j s PHE 86 Ca 0.36 -1.04 0.04 0.00 -0.96 0.00 0.00 56.93 55.34 1y9j s PHE 86 Cb 0.13 -4.68 -0.03 0.00 -0.34 0.00 0.00 43.02 38.10 1y9j s PHE 86 CO -0.07 -1.87 0.21 0.14 -1.46 0.00 0.00 175.22 172.17 1y9j s VAL 87 N 5.05 0.13 0.07 3.12 -7.23 0.30 -3.58 120.40 118.25 1y9j s VAL 87 Ca 0.50 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.44 1y9j s VAL 87 Cb 0.01 -2.49 -0.06 0.00 0.56 0.00 0.00 36.38 34.40 1y9j s VAL 87 CO -0.02 0.00 0.71 -0.32 -0.31 0.00 0.00 175.10 175.15 1y9j s MET 88 N -3.70 4.44 0.00 4.82 1.75 -1.26 -2.57 119.30 122.78 1y9j s MET 88 Ca 0.38 0.98 -0.03 0.00 -1.25 0.00 0.00 55.69 55.77 1y9j s MET 88 Cb 0.04 -3.32 -0.12 0.00 2.84 0.00 0.00 34.83 34.28 1y9j s MET 88 CO 0.21 0.42 2.33 -0.35 -0.65 0.00 0.00 175.02 176.98 1y9j n PRO 89 N 2.33 1.21 -1.74 4.11 -0.04 -1.26 -4.56 135.00 135.04 1y9j n PRO 89 Ca -0.05 -0.44 -0.31 0.00 -0.04 0.00 0.00 63.50 62.66 1y9j n PRO 89 Cb 0.50 -1.55 0.04 0.00 -0.04 0.00 0.00 33.50 32.45 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 1.01 4.12 0.20 0.52 -4.23 -1.26 -4.73 115.64 111.28 1y9j s THR 90 Ca 0.29 0.69 -0.17 0.00 -1.18 0.00 0.00 61.69 61.32 1y9j s THR 90 Cb 0.14 -3.58 0.18 0.00 1.34 0.00 0.00 72.50 70.58 1y9j s THR 90 CO 0.00 -0.90 1.60 -0.33 -0.54 0.00 0.00 174.62 174.45 1y9j h GLU 91 N -0.58 -0.09 -0.70 3.99 5.08 -2.00 0.30 114.58 120.58 1y9j h GLU 91 Ca -0.44 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 57.89 1y9j h GLU 91 Cb 1.21 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.45 1y9j h GLU 91 CO 0.60 -0.06 0.33 1.05 -1.00 0.00 0.00 179.01 179.93 1y9j h GLU 92 N -0.10 1.02 -0.11 2.33 4.11 -1.95 -2.86 114.58 117.03 1y9j h GLU 92 Ca 0.27 -0.16 0.00 0.00 0.07 0.00 0.00 59.36 59.54 1y9j h GLU 92 Cb 0.52 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1y9j h GLU 92 CO -0.67 0.81 0.07 -0.91 0.07 0.00 0.00 179.01 178.38 1y9j h ASN 93 N 0.99 0.13 -0.89 3.06 2.35 -1.19 -1.81 115.58 118.21 1y9j h ASN 93 Ca 0.24 -0.02 0.23 0.00 -0.55 0.00 0.00 56.30 56.20 1y9j h ASN 93 Cb 0.13 -0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.42 1y9j h ASN 93 CO -0.03 0.11 0.61 0.40 -1.65 0.00 0.00 177.43 176.88 1y9j h ILE 94 N 0.13 0.62 0.00 2.81 1.08 -0.31 0.69 117.51 122.53 1y9j h ILE 94 Ca 0.04 -0.07 -0.13 0.00 -0.39 0.00 0.00 64.86 64.30 1y9j h ILE 94 Cb 0.00 0.38 -0.02 0.00 -3.07 0.00 0.00 36.82 34.11 1y9j h ILE 94 CO -0.01 0.04 -0.64 -0.78 -0.69 0.00 0.00 178.15 176.07 1y9j h ASP 95 N 0.22 0.00 0.66 1.72 1.82 -1.12 -3.00 116.42 116.71 1y9j h ASP 95 Ca 0.45 0.00 -0.17 0.00 -0.39 0.00 0.00 57.03 56.92 1y9j h ASP 95 Cb 1.42 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.41 1y9j h ASP 95 CO -0.11 0.64 -0.77 0.03 -1.61 0.00 0.00 179.24 177.43 1y9j h ARG 96 N 0.00 0.08 -0.58 0.28 -0.00 0.80 -1.38 114.38 113.59 1y9j h ARG 96 Ca -0.01 -0.08 -0.08 0.00 -0.50 0.00 0.00 59.98 59.31 1y9j h ARG 96 Cb 1.16 0.02 -0.02 0.00 0.00 0.00 0.00 29.97 31.12 1y9j h ARG 96 CO 0.08 0.81 0.04 -0.07 0.00 0.00 0.00 179.97 180.83 1y9j h LEU 97 N 0.05 0.96 -0.43 3.04 -0.00 -1.10 0.33 115.31 118.16 1y9j h LEU 97 Ca -0.02 -0.29 -0.08 0.00 -0.00 0.00 0.00 57.88 57.50 1y9j h LEU 97 Cb 1.35 -0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 41.74 1y9j h LEU 97 CO 0.11 1.00 -0.37 0.00 -0.00 0.00 0.00 178.44 179.18 1y9j h GLN 99 N 0.00 0.46 0.00 0.00 5.75 -0.76 -2.81 115.11 117.75 1y9j h GLN 99 Ca -0.00 -0.69 -0.21 0.00 -0.15 0.00 0.00 58.65 57.59 1y9j h GLN 99 Cb 1.12 0.24 -0.03 0.00 1.07 0.00 0.00 27.48 29.88 1y9j h GLN 99 CO 0.05 1.31 -1.05 0.38 -2.65 0.00 0.00 178.83 176.86 1y9j h ASP 100 N -0.04 0.00 0.63 -0.69 3.04 -0.37 -2.87 116.42 116.12 1y9j h ASP 100 Ca -0.17 0.00 -0.13 0.00 -3.24 0.00 0.00 57.03 53.49 1y9j h ASP 100 Cb 1.80 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 40.07 1y9j h ASP 100 CO 0.20 0.99 -0.60 -0.07 -2.04 0.00 0.00 179.24 177.72 1y9j h LEU 101 N 0.00 0.00 0.12 0.15 3.38 -1.12 -2.64 115.31 115.21 1y9j h LEU 101 Ca -0.04 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.65 1y9j h LEU 101 Cb 1.78 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.53 1y9j h LEU 101 CO 0.12 0.60 -1.32 0.03 0.09 0.00 0.00 178.44 177.96 1y9j h ARG 102 N 0.00 0.25 0.00 1.13 3.08 -1.55 -3.26 114.38 114.04 1y9j h ARG 102 Ca -0.01 -0.44 -0.03 0.00 0.07 0.00 0.00 59.98 59.58 1y9j h ARG 102 Cb 1.08 0.16 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 1y9j h ARG 102 CO 0.08 1.17 -0.16 -0.91 -1.07 0.00 0.00 179.97 179.08 1y9j h ASN 103 N 0.07 0.00 -5.23 7.04 2.35 -1.46 -3.47 115.58 114.88 1y9j h ASN 103 Ca -0.16 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.21 1y9j h ASN 103 Cb 1.98 0.00 0.12 0.00 0.05 0.00 0.00 38.32 40.47 1y9j h ASN 103 CO 0.19 0.16 -0.62 0.00 -1.65 0.00 0.00 177.43 175.51 1y9j n GLN 104 N -3.38 -6.85 -0.13 0.81 1.13 -1.00 -4.90 117.38 103.06 1y9j n GLN 104 Ca -0.00 0.79 -0.05 0.00 -1.94 0.00 0.00 57.00 55.79 1y9j n GLN 104 Cb 0.36 -5.63 0.03 0.00 0.11 0.00 0.00 30.24 25.12 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 -2.28 0.13 -8.81 1.08 3.38 -1.89 -3.40 115.31 103.52 1y9j h LEU 105 Ca -0.52 0.05 -0.53 0.00 0.09 0.00 0.00 57.88 56.97 1y9j h LEU 105 Cb 1.34 0.04 -0.18 0.00 0.09 0.00 0.00 40.66 41.95 1y9j h LEU 105 CO 0.52 0.11 -0.79 -0.31 0.09 0.00 0.00 178.44 178.06 1y9j s TYR 106 N -6.15 1.82 0.08 1.13 1.51 -1.26 0.17 117.35 114.65 1y9j s TYR 106 Ca -0.13 -0.46 -0.22 0.00 -1.01 0.00 0.00 57.07 55.25 1y9j s TYR 106 Cb 0.13 -0.92 -0.13 0.00 -0.11 0.00 0.00 41.96 40.94 1y9j s TYR 106 CO 0.72 0.32 1.67 1.49 -1.11 0.00 0.00 175.55 178.63 1y9j h GLU 107 N 3.33 0.12 -6.19 -0.62 4.81 -1.23 -3.45 114.58 111.35 1y9j h GLU 107 Ca -0.43 -0.02 -0.51 0.00 -0.13 0.00 0.00 59.36 58.27 1y9j h GLU 107 Cb 1.20 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.54 1y9j h GLU 107 CO 0.50 0.18 -0.31 -1.54 -0.73 0.00 0.00 179.01 177.10 1y9j s SER 108 N -5.38 4.97 -0.43 1.04 1.04 -1.26 -3.72 113.70 109.96 1y9j s SER 108 Ca -0.13 -0.89 0.08 0.00 0.48 0.00 0.00 55.95 55.49 1y9j s SER 108 Cb 0.06 -0.16 0.32 0.00 0.10 0.00 0.00 66.02 66.34 1y9j s SER 108 CO 0.68 -0.89 0.92 -1.22 0.98 0.00 0.00 173.24 173.71 1y9j n TYR 109 N -1.73 -1.65 -1.55 5.02 4.02 -0.11 -2.61 117.16 118.55 1y9j n TYR 109 Ca 0.04 -2.80 -0.14 0.00 -0.01 0.00 0.00 57.90 54.99 1y9j n TYR 109 Cb 0.62 0.76 -0.09 0.00 -0.02 0.00 0.00 39.34 40.61 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 0.52 0.98 -2.55 -0.72 4.19 0.22 -2.79 117.16 117.01 1y9j n TYR 110 Ca 0.14 -0.02 -0.34 0.00 3.31 0.00 0.00 57.90 60.99 1y9j n TYR 110 Cb 0.67 -2.30 -0.04 0.00 0.49 0.00 0.00 39.34 38.16 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 12.72 3.83 -0.24 2.98 1.43 0.33 0.16 118.68 139.90 1y9j s LEU 111 Ca 0.98 1.86 -0.04 0.00 -1.03 0.00 0.00 54.13 55.90 1y9j s LEU 111 Cb -0.23 -4.55 0.13 0.00 0.03 0.00 0.00 46.19 41.56 1y9j s LEU 111 CO 0.16 -0.72 0.41 0.21 0.23 0.00 0.00 176.35 176.64 1y9j s ASN 112 N -2.13 -0.08 -0.07 2.29 3.04 -0.11 0.39 114.94 118.27 1y9j s ASN 112 Ca 0.66 0.52 -0.14 0.00 0.04 0.00 0.00 52.86 53.93 1y9j s ASN 112 Cb -0.15 1.30 -0.05 0.00 -1.54 0.00 0.00 41.25 40.82 1y9j s ASN 112 CO 0.20 -0.28 0.35 -0.36 -3.04 0.00 0.00 177.10 173.98 1y9j s PHE 113 N 2.60 3.62 -0.06 0.43 0.08 -1.20 0.11 117.98 123.56 1y9j s PHE 113 Ca 0.09 0.82 0.14 0.00 0.12 0.00 0.00 56.93 58.10 1y9j s PHE 113 Cb -0.14 -2.29 -0.16 0.00 -0.57 0.00 0.00 43.02 39.86 1y9j s PHE 113 CO -0.16 0.50 0.91 -0.84 -0.10 0.00 0.00 175.22 175.54 1y9j h ILE 114 N 4.10 0.85 -2.89 0.64 -2.65 -1.85 -3.35 117.51 112.37 1y9j h ILE 114 Ca -0.48 -2.50 -0.61 0.00 1.03 0.00 0.00 64.86 62.30 1y9j h ILE 114 Cb 1.20 2.34 -0.11 0.00 -2.05 0.00 0.00 36.82 38.20 1y9j h ILE 114 CO 0.66 0.49 -0.66 -0.94 0.03 0.00 0.00 178.15 177.73 1y9j s SER 115 N -6.12 4.76 -0.57 2.16 1.04 -1.26 -2.34 113.70 111.37 1y9j s SER 115 Ca -0.02 -0.40 -0.26 0.00 0.48 0.00 0.00 55.95 55.75 1y9j s SER 115 Cb 0.08 -1.01 -0.04 0.00 0.10 0.00 0.00 66.02 65.16 1y9j s SER 115 CO 0.81 0.09 2.06 0.00 0.98 0.00 0.00 173.24 177.18 1y9j s ALA 116 N -1.72 1.96 0.64 5.32 0.00 -1.26 -4.62 121.76 122.08 1y9j s ALA 116 Ca 0.27 -0.43 -0.11 0.00 0.00 0.00 0.00 51.96 51.69 1y9j s ALA 116 Cb -0.09 -4.32 -0.03 0.00 0.00 0.00 0.00 23.12 18.68 1y9j s ALA 116 CO 0.18 -4.12 1.04 -1.50 0.00 0.00 0.00 175.76 171.36 1y9j s ILE 117 N 10.23 4.51 0.31 0.00 2.07 -1.26 -5.08 121.20 131.98 1y9j s ILE 117 Ca 0.78 0.82 0.08 0.00 -1.41 0.00 0.00 60.65 60.92 1y9j s ILE 117 Cb -0.14 -3.73 -0.04 0.00 0.13 0.00 0.00 42.46 38.68 1y9j s ILE 117 CO 0.22 -1.06 0.17 -0.94 -1.91 0.00 0.00 174.94 171.42 1y9j s SER 118 N -4.06 5.01 0.36 4.50 1.04 -1.26 -4.94 113.70 114.35 1y9j s SER 118 Ca 0.56 -0.56 0.12 0.00 0.48 0.00 0.00 55.95 56.55 1y9j s SER 118 Cb -0.12 -0.96 0.91 0.00 0.10 0.00 0.00 66.02 65.95 1y9j s SER 118 CO 0.54 -0.20 1.83 -0.09 0.98 0.00 0.00 173.24 176.29 1y9j h ARG 119 N 1.51 0.58 0.97 4.02 9.65 -1.98 0.43 114.38 129.56 1y9j h ARG 119 Ca -0.45 -0.03 -0.05 0.00 -1.10 0.00 0.00 59.98 58.35 1y9j h ARG 119 Cb 1.25 -0.13 0.01 0.00 -1.39 0.00 0.00 29.97 29.71 1y9j h ARG 119 CO 0.61 0.38 -0.48 0.77 2.80 0.00 0.00 179.97 184.05 1y9j h SER 120 N 0.59 -1.16 -0.42 -3.80 0.02 -1.99 0.82 113.55 107.62 1y9j h SER 120 Ca 0.51 0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 61.44 1y9j h SER 120 Cb 1.00 0.31 -0.02 0.00 0.14 0.00 0.00 62.40 63.82 1y9j h SER 120 CO -0.26 -0.81 0.04 0.11 -1.14 0.00 0.00 176.83 174.77 1y9j h LYS 121 N -1.32 0.79 -0.03 3.45 1.57 -1.82 -2.90 116.57 116.31 1y9j h LYS 121 Ca -0.13 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1y9j h LYS 121 Cb 1.02 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.23 1y9j h LYS 121 CO 0.21 0.77 0.02 -0.07 -0.57 0.00 0.00 179.45 179.81 1y9j h LEU 122 N 0.75 0.02 -1.69 2.94 3.38 -0.05 -1.95 115.31 118.71 1y9j h LEU 122 Ca 0.15 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.24 1y9j h LEU 122 Cb 0.40 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 1y9j h LEU 122 CO 0.01 0.02 0.41 -0.33 0.09 0.00 0.00 178.44 178.65 1y9j h GLU 123 N 0.04 0.33 -0.25 1.13 5.08 -0.69 0.23 114.58 120.45 1y9j h GLU 123 Ca 0.01 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1y9j h GLU 123 Cb 0.00 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1y9j h GLU 123 CO -0.01 0.22 0.08 -0.44 -1.00 0.00 0.00 179.01 177.85 1y9j h ASP 124 N 0.34 0.36 -0.10 1.42 3.32 -1.17 0.16 116.42 120.76 1y9j h ASP 124 Ca 0.29 -0.21 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 1y9j h ASP 124 Cb 0.67 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1y9j h ASP 124 CO -0.07 0.47 -0.25 0.40 -1.72 0.00 0.00 179.24 178.07 1y9j h ILE 125 N 0.23 1.40 -0.69 0.35 5.03 -0.84 0.87 117.51 123.86 1y9j h ILE 125 Ca 0.08 -1.58 0.06 0.00 -0.12 0.00 0.00 64.86 63.30 1y9j h ILE 125 Cb 0.24 2.17 -0.06 0.00 -3.03 0.00 0.00 36.82 36.15 1y9j h ILE 125 CO -0.00 0.46 0.39 0.00 -0.68 0.00 0.00 178.15 178.31 1y9j h ALA 126 N 0.49 0.94 0.00 1.87 0.00 -0.58 -0.57 119.26 121.41 1y9j h ALA 126 Ca -0.00 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 1y9j h ALA 126 Cb 0.86 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1y9j h ALA 126 CO 0.05 0.06 -0.66 -0.91 0.00 0.00 0.00 179.25 177.80 1y9j h ASN 127 N 0.71 0.00 -0.99 0.00 2.35 -0.66 -3.03 115.58 113.95 1y9j h ASN 127 Ca 0.31 0.00 0.26 0.00 -0.55 0.00 0.00 56.30 56.32 1y9j h ASN 127 Cb 0.21 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.51 1y9j h ASN 127 CO -0.19 0.66 0.67 0.00 -1.65 0.00 0.00 177.43 176.92 1y9j h ALA 128 N 1.34 2.51 0.15 -0.83 0.00 0.24 -0.10 119.26 122.57 1y9j h ALA 128 Ca -0.01 0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.57 1y9j h ALA 128 Cb 1.41 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 1y9j h ALA 128 CO 0.09 -0.84 -1.78 0.00 0.00 0.00 0.00 179.25 176.72 1y9j h ALA 129 N 1.57 0.25 -0.84 0.00 0.00 -1.46 -3.35 119.26 115.43 1y9j h ALA 129 Ca 0.52 -1.22 0.24 0.00 0.00 0.00 0.00 54.91 54.45 1y9j h ALA 129 Cb 1.58 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 19.89 1y9j h ALA 129 CO -0.15 1.08 0.73 -0.07 0.00 0.00 0.00 179.25 180.85 1y9j h LEU 130 N 0.02 0.00 -1.23 0.00 3.38 -0.92 2.25 115.31 118.82 1y9j h LEU 130 Ca -0.37 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.53 1y9j h LEU 130 Cb 2.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.75 1y9j h LEU 130 CO 0.13 0.00 -0.23 0.00 0.09 0.00 0.00 178.44 178.42 1y9j h ALA 131 N 1.32 1.36 -0.00 1.53 0.00 -1.54 -3.10 119.26 118.82 1y9j h ALA 131 Ca 0.40 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1y9j h ALA 131 Cb 1.86 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1y9j h ALA 131 CO -0.00 0.44 -0.29 0.00 0.00 0.00 0.00 179.25 179.40 1y9j n ALA 132 N -2.48 2.85 -2.06 0.00 0.00 0.29 -5.00 120.51 114.12 1y9j n ALA 132 Ca -0.01 -0.23 -0.14 0.00 0.00 0.00 0.00 53.44 53.06 1y9j n ALA 132 Cb 0.35 -0.25 -0.02 0.00 0.00 0.00 0.00 19.45 19.52 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 -1.00 -4.49 -4.77 0.00 5.15 0.69 -4.97 115.26 105.87 1y9j n ASN 133 Ca 0.02 0.08 -0.40 0.00 -0.60 0.00 0.00 54.58 53.68 1y9j n ASN 133 Cb 0.12 -3.55 -0.03 0.00 -0.53 0.00 0.00 39.78 35.78 1y9j n ASN 133 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1y9j s ALA 134 N -2.67 3.34 -0.47 5.20 0.00 -1.12 -4.95 121.76 121.09 1y9j s ALA 134 Ca 0.00 0.97 -0.28 0.00 0.00 0.00 0.00 51.96 52.65 1y9j s ALA 134 Cb 0.00 -3.36 -0.00 0.00 0.00 0.00 0.00 23.12 19.76 1y9j s ALA 134 CO 0.00 -0.34 1.57 0.08 0.00 0.00 0.00 175.76 177.07 1y9j s VAL 135 N -1.26 3.68 0.26 0.00 1.01 -1.24 -4.77 120.40 118.07 1y9j s VAL 135 Ca 0.49 0.63 0.09 0.00 0.00 0.00 0.00 61.98 63.19 1y9j s VAL 135 Cb -0.32 -4.10 -0.05 0.00 0.00 0.00 0.00 36.38 31.91 1y9j s VAL 135 CO 0.42 -0.82 -0.14 0.42 0.00 0.00 0.00 175.10 174.98 1y9j s THR 136 N 6.53 2.01 -0.21 3.92 -4.23 -1.26 -0.93 115.64 121.46 1y9j s THR 136 Ca 0.64 -2.26 -0.06 0.00 -1.18 0.00 0.00 61.69 58.83 1y9j s THR 136 Cb -0.15 -2.27 0.10 0.00 1.34 0.00 0.00 72.50 71.53 1y9j s THR 136 CO 0.29 -0.44 0.42 -1.10 -0.54 0.00 0.00 174.62 173.25 1y9j s GLN 137 N -3.61 0.33 -0.49 3.99 -0.21 -1.12 -4.92 119.66 113.63 1y9j s GLN 137 Ca 0.27 0.96 -0.23 0.00 0.02 0.00 0.00 55.36 56.38 1y9j s GLN 137 Cb -0.01 0.21 0.03 0.00 1.00 0.00 0.00 33.01 34.25 1y9j s GLN 137 CO 0.11 -0.32 0.83 0.08 -2.12 0.00 0.00 175.29 173.88 1y9j s VAL 138 N 2.61 4.57 0.88 1.09 1.01 -1.26 0.12 120.40 129.42 1y9j s VAL 138 Ca 0.01 0.31 -0.13 0.00 0.00 0.00 0.00 61.98 62.17 1y9j s VAL 138 Cb -0.13 -4.40 0.12 0.00 0.00 0.00 0.00 36.38 31.97 1y9j s VAL 138 CO -0.13 -0.87 1.17 0.00 0.00 0.00 0.00 175.10 175.26 1y9j s ALA 139 N 3.49 2.13 0.76 5.51 0.00 0.16 -4.97 121.76 128.84 1y9j s ALA 139 Ca 0.29 -0.64 -0.11 0.00 0.00 0.00 0.00 51.96 51.51 1y9j s ALA 139 Cb -0.13 -2.98 0.05 0.00 0.00 0.00 0.00 23.12 20.06 1y9j s ALA 139 CO 0.21 -2.09 1.08 0.15 0.00 0.00 0.00 175.76 175.11 1y9j s LYS 140 N -5.45 2.39 -0.08 0.00 -0.14 -1.26 -4.32 119.74 110.88 1y9j s LYS 140 Ca 0.64 1.08 -0.08 0.00 -1.36 0.00 0.00 55.97 56.25 1y9j s LYS 140 Cb -0.12 -1.92 -0.04 0.00 -1.68 0.00 0.00 37.83 34.06 1y9j s LYS 140 CO 0.52 -1.52 0.21 0.08 -0.76 0.00 0.00 175.35 173.87 1y9j s VAL 141 N -2.95 5.39 -0.02 3.17 1.01 -1.26 -4.48 120.40 121.27 1y9j s VAL 141 Ca 0.60 0.31 0.08 0.00 0.00 0.00 0.00 61.98 62.98 1y9j s VAL 141 Cb -0.16 -3.49 -0.12 0.00 0.00 0.00 0.00 36.38 32.61 1y9j s VAL 141 CO 0.56 0.57 0.16 2.22 0.00 0.00 0.00 175.10 178.61 1y9j n PHE 142 N 1.80 0.00 -0.99 5.22 -1.74 -1.26 -4.58 117.46 115.91 1y9j n PHE 142 Ca -0.17 0.00 -0.07 0.00 -0.56 0.00 0.00 57.45 56.65 1y9j n PHE 142 Cb 0.54 -0.20 0.30 0.00 1.52 0.00 0.00 39.48 41.64 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 -1.82 4.77 0.13 5.98 9.92 -1.06 -4.35 116.55 130.12 1y9j n ASP 143 Ca -0.02 -3.21 0.01 0.00 -0.53 0.00 0.00 54.79 51.04 1y9j n ASP 143 Cb 0.26 -0.75 0.03 0.00 -0.64 0.00 0.00 41.12 40.02 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 2.58 0.00 0.00 -1.24 3.07 -1.71 -3.32 115.11 114.48 1y9j h GLN 144 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.02 1y9j h GLN 144 Cb 2.35 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.91 1y9j h GLN 144 CO 0.75 0.58 -0.98 2.48 0.09 0.00 0.00 178.83 181.75 1y9j n TYR 145 N -3.28 0.00 -4.25 0.06 4.11 -1.26 -4.81 117.16 107.73 1y9j n TYR 145 Ca 0.01 0.00 -0.17 0.00 -0.00 0.00 0.00 57.90 57.75 1y9j n TYR 145 Cb 0.75 -0.12 -0.07 0.00 -0.00 0.00 0.00 39.34 39.90 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 -1.55 0.00 0.00 -3.48 -0.00 -1.25 -5.23 117.00 105.49 1y9j n LEU 146 Ca 0.00 -2.70 0.00 0.00 -0.00 0.00 0.00 56.01 53.31 1y9j n LEU 146 Cb 0.22 1.41 0.00 0.00 -0.00 0.00 0.00 43.42 45.05 1y9j n LEU 146 CO 0.22 -0.45 0.00 -3.20 -0.00 0.00 0.00 177.39 173.96