#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 0.00 0.47 0.00 0.02 -2.07 -2.09 113.55 109.89 1y9j h SER 9 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1y9j h SER 9 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1y9j h SER 9 CO 0.00 0.09 -0.23 0.40 -1.14 0.00 0.00 176.83 175.95 1y9j h ILE 10 N 0.00 0.00 -0.78 3.27 1.08 -2.03 -3.00 117.51 116.06 1y9j h ILE 10 Ca -0.00 -0.38 0.22 0.00 -0.39 0.00 0.00 64.86 64.31 1y9j h ILE 10 Cb 0.16 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 33.88 1y9j h ILE 10 CO 0.01 0.00 0.67 -0.09 -0.69 0.00 0.00 178.15 178.05 1y9j h ARG 11 N -1.02 0.00 -0.12 2.37 9.65 -1.96 0.14 114.38 123.44 1y9j h ARG 11 Ca -0.06 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.81 1y9j h ARG 11 Cb 0.49 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.06 1y9j h ARG 11 CO 0.11 0.00 0.05 0.93 2.80 0.00 0.00 179.97 183.85 1y9j h GLU 12 N 0.00 0.18 -0.65 0.20 4.39 -1.29 -2.68 114.58 114.72 1y9j h GLU 12 Ca 0.37 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 60.08 1y9j h GLU 12 Cb 1.70 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 30.29 1y9j h GLU 12 CO -0.00 0.29 0.43 0.07 -1.16 0.00 0.00 179.01 178.64 1y9j h ARG 13 N 0.03 0.72 -0.67 2.33 -0.00 -0.59 -1.49 114.38 114.72 1y9j h ARG 13 Ca 0.04 -0.04 0.10 0.00 -0.00 0.00 0.00 59.98 60.07 1y9j h ARG 13 Cb 0.18 -0.16 -0.07 0.00 -0.00 0.00 0.00 29.97 29.91 1y9j h ARG 13 CO -0.00 0.48 0.30 1.96 -0.00 0.00 0.00 179.97 182.70 1y9j h GLN 14 N 0.75 0.49 0.00 0.08 4.20 -1.27 0.22 115.11 119.58 1y9j h GLN 14 Ca 0.27 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.85 1y9j h GLN 14 Cb 0.13 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1y9j h GLN 14 CO -0.08 0.32 -0.46 1.79 -0.67 0.00 0.00 178.83 179.74 1y9j h THR 15 N 0.50 1.25 0.11 -0.54 1.35 -1.17 -3.03 112.91 111.39 1y9j h THR 15 Ca 0.34 -1.60 0.00 0.00 -0.55 0.00 0.00 66.41 64.60 1y9j h THR 15 Cb 0.40 1.88 -0.02 0.00 -1.73 0.00 0.00 68.15 68.68 1y9j h THR 15 CO -0.30 0.45 -0.30 0.58 -0.25 0.00 0.00 175.52 175.70 1y9j h VAL 16 N 0.00 0.00 -0.72 6.82 2.07 -0.40 0.99 116.25 125.01 1y9j h VAL 16 Ca -0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 1y9j h VAL 16 Cb 0.85 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 1y9j h VAL 16 CO 0.06 0.00 0.47 0.00 0.02 0.00 0.00 177.57 178.12 1y9j h ALA 17 N -1.03 1.74 0.28 1.67 0.00 -1.60 -1.23 119.26 119.09 1y9j h ALA 17 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1y9j h ALA 17 Cb 0.45 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1y9j h ALA 17 CO -0.14 0.14 -0.14 -0.07 0.00 0.00 0.00 179.25 179.05 1y9j h LEU 18 N 0.72 -0.32 -1.63 0.00 3.38 -1.19 -2.92 115.31 113.35 1y9j h LEU 18 Ca 0.31 0.01 0.28 0.00 0.09 0.00 0.00 57.88 58.57 1y9j h LEU 18 Cb 0.30 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.06 1y9j h LEU 18 CO -0.11 -0.20 0.70 0.11 0.09 0.00 0.00 178.44 179.03 1y9j h LYS 19 N -0.44 0.23 -0.18 1.13 6.56 0.11 0.54 116.57 124.52 1y9j h LYS 19 Ca -0.04 -0.01 0.04 0.00 -1.06 0.00 0.00 60.65 59.57 1y9j h LYS 19 Cb 0.29 -0.05 -0.03 0.00 -0.57 0.00 0.00 32.23 31.87 1y9j h LYS 19 CO 0.06 0.15 -0.05 -0.09 -2.06 0.00 0.00 179.45 177.47 1y9j h ARG 20 N 0.24 -0.00 0.00 3.15 2.43 -1.14 0.94 114.38 120.00 1y9j h ARG 20 Ca 0.55 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.72 1y9j h ARG 20 Cb 1.68 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.23 1y9j h ARG 20 CO -0.17 -0.00 -0.61 0.00 -1.51 0.00 0.00 179.97 177.68 1y9j n MET 21 N -5.19 0.24 0.00 0.20 0.00 0.04 -1.46 117.12 110.96 1y9j n MET 21 Ca -0.03 0.07 0.11 0.00 0.00 0.00 0.00 57.70 57.85 1y9j n MET 21 Cb 0.11 -1.65 0.02 0.00 0.00 0.00 0.00 33.22 31.70 1y9j n MET 21 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1y9j n LEU 22 N -2.00 1.35 0.00 3.17 4.77 0.17 -4.57 117.00 119.89 1y9j n LEU 22 Ca 0.04 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 1y9j n LEU 22 Cb 0.42 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1y9j n LEU 22 CO 0.36 0.28 -0.37 -3.20 -1.33 0.00 0.00 177.39 173.14 1y9j n ASN 23 N -0.84 2.96 -4.38 -1.43 4.05 0.32 -4.73 115.26 111.20 1y9j n ASN 23 Ca 0.07 0.00 -0.45 0.00 0.45 0.00 0.00 54.58 54.65 1y9j n ASN 23 Cb 0.39 0.02 -0.04 0.00 1.23 0.00 0.00 39.78 41.37 1y9j n ASN 23 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 177.26 174.33 1y9j s PHE 24 N -1.73 2.98 -0.02 1.20 5.36 -0.53 -5.03 117.98 120.21 1y9j s PHE 24 Ca 0.00 -0.96 -0.23 0.00 -0.96 0.00 0.00 56.93 54.78 1y9j s PHE 24 Cb 0.00 -4.04 -0.04 0.00 -0.34 0.00 0.00 43.02 38.59 1y9j s PHE 24 CO 0.00 -1.33 0.71 0.54 -1.46 0.00 0.00 175.22 173.68 1y9j s ASN 25 N 3.62 7.05 -0.38 6.13 4.22 -1.26 -4.57 114.94 129.75 1y9j s ASN 25 Ca 0.13 1.26 -0.29 0.00 -2.14 0.00 0.00 52.86 51.83 1y9j s ASN 25 Cb -0.23 -2.42 -0.00 0.00 1.28 0.00 0.00 41.25 39.87 1y9j s ASN 25 CO 0.06 -0.05 1.59 0.68 -2.04 0.00 0.00 177.10 177.34 1y9j s VAL 26 N 0.41 3.70 0.49 3.54 -7.23 -1.26 -4.98 120.40 115.08 1y9j s VAL 26 Ca 0.37 0.71 -0.22 0.00 -1.81 0.00 0.00 61.98 61.03 1y9j s VAL 26 Cb -0.19 -3.95 -0.07 0.00 0.56 0.00 0.00 36.38 32.74 1y9j s VAL 26 CO 0.19 -0.61 1.18 -2.84 -0.31 0.00 0.00 175.10 172.72 1y9j s PRO 27 N 5.28 3.56 0.43 4.82 0.02 -1.26 -4.94 135.00 142.90 1y9j s PRO 27 Ca 0.70 1.79 0.05 0.00 0.02 0.00 0.00 61.00 63.56 1y9j s PRO 27 Cb -0.18 -2.28 -0.06 0.00 0.02 0.00 0.00 34.50 32.01 1y9j s PRO 27 CO 0.33 -0.72 0.02 -1.01 -0.33 0.00 0.00 177.00 175.28 1y9j s HIS 28 N -1.57 2.28 -0.64 6.54 3.76 -1.26 -5.06 115.29 119.35 1y9j s HIS 28 Ca 0.67 -0.79 -0.26 0.00 -0.15 0.00 0.00 55.06 54.53 1y9j s HIS 28 Cb -0.29 -1.67 -0.04 0.00 1.11 0.00 0.00 32.58 31.69 1y9j s HIS 28 CO 0.34 0.33 2.00 0.08 -0.85 0.00 0.00 174.74 176.64 1y9j s VAL 29 N -2.82 3.29 -0.24 -0.90 1.01 -1.26 -4.94 120.40 114.54 1y9j s VAL 29 Ca 0.28 0.08 -0.05 0.00 0.00 0.00 0.00 61.98 62.28 1y9j s VAL 29 Cb 0.08 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 1y9j s VAL 29 CO 0.14 -0.71 -0.01 -1.59 0.00 0.00 0.00 175.10 172.93 1y9j s LYS 30 N 7.34 3.36 -0.07 2.72 -2.85 -1.26 -4.97 119.74 124.01 1y9j s LYS 30 Ca 0.74 -0.65 0.14 0.00 -1.00 0.00 0.00 55.97 55.20 1y9j s LYS 30 Cb -0.13 -3.11 -0.23 0.00 -2.06 0.00 0.00 37.83 32.30 1y9j s LYS 30 CO 0.18 -0.24 0.55 -1.71 0.10 0.00 0.00 175.35 174.23 1y9j n ASN 31 N 4.82 0.70 -4.29 0.03 2.85 -1.26 -4.75 115.26 113.36 1y9j n ASN 31 Ca -0.17 0.33 -0.43 0.00 -0.11 0.00 0.00 54.58 54.20 1y9j n ASN 31 Cb 0.50 0.15 -0.07 0.00 1.24 0.00 0.00 39.78 41.60 1y9j n ASN 31 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1y9j s SER 32 N -5.96 5.95 1.11 1.20 0.01 -1.26 -5.08 113.70 109.66 1y9j s SER 32 Ca -0.06 -1.66 -0.16 0.00 1.31 0.00 0.00 55.95 55.39 1y9j s SER 32 Cb 0.08 -2.11 0.24 0.00 0.21 0.00 0.00 66.02 64.44 1y9j s SER 32 CO 0.83 -0.71 1.09 -2.16 0.41 0.00 0.00 173.24 172.70 1y9j s PRO 33 N 1.51 -0.49 0.00 12.44 0.04 -1.26 -4.45 135.00 142.79 1y9j s PRO 33 Ca 0.04 0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.34 1y9j s PRO 33 Cb -0.26 -1.65 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1y9j s PRO 33 CO 0.03 -3.29 0.00 0.41 0.04 0.00 0.00 177.00 174.18 1y9j n GLY 34 N -0.86 3.15 3.58 0.56 0.00 -1.26 -5.05 105.19 105.31 1y9j n GLY 34 Ca 0.08 -1.03 -0.39 0.00 0.00 0.00 0.00 46.02 44.68 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 3.86 0.00 1.61 2.02 -1.26 -5.08 118.70 119.85 1y9j s GLU 35 Ca 0.00 -0.18 0.00 0.00 0.02 0.00 0.00 54.97 54.81 1y9j s GLU 35 Cb 0.00 -3.70 0.00 0.00 0.10 0.00 0.00 34.13 30.53 1y9j s GLU 35 CO 0.00 -0.33 0.00 -2.30 0.02 0.00 0.00 175.26 172.65 1y9j n PRO 36 N 5.28 0.41 -3.71 0.39 -0.02 -1.26 -4.95 135.00 131.14 1y9j n PRO 36 Ca -0.10 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.00 1y9j n PRO 36 Cb 0.51 0.00 -0.12 0.00 -0.02 0.00 0.00 33.50 33.87 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 -0.28 3.94 -0.28 -1.45 1.01 -1.26 -5.07 120.40 117.00 1y9j s VAL 37 Ca 0.00 -1.16 -0.14 0.00 0.00 0.00 0.00 61.98 60.68 1y9j s VAL 37 Cb 0.00 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 1y9j s VAL 37 CO 0.00 -0.25 0.32 0.26 0.00 0.00 0.00 175.10 175.44 1y9j s TRP 38 N 1.42 3.23 0.11 5.22 0.52 -1.26 -4.89 118.94 123.29 1y9j s TRP 38 Ca -0.00 0.27 0.06 0.00 0.02 0.00 0.00 56.10 56.45 1y9j s TRP 38 Cb -0.20 -2.54 -0.04 0.00 -1.15 0.00 0.00 33.47 29.54 1y9j s TRP 38 CO 0.03 -0.24 -0.06 -1.59 0.02 0.00 0.00 176.95 175.11 1y9j s LYS 39 N 1.98 2.29 0.32 4.98 -2.85 -0.78 -3.90 119.74 121.78 1y9j s LYS 39 Ca 0.12 -0.97 0.07 0.00 -1.00 0.00 0.00 55.97 54.19 1y9j s LYS 39 Cb -0.16 -2.39 -0.02 0.00 -2.06 0.00 0.00 37.83 33.20 1y9j s LYS 39 CO 0.10 0.51 0.39 0.08 0.10 0.00 0.00 175.35 176.54 1y9j s VAL 40 N -1.29 4.04 -0.01 1.79 1.01 0.29 -2.10 120.40 124.13 1y9j s VAL 40 Ca 0.23 -1.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 1y9j s VAL 40 Cb -0.11 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1y9j s VAL 40 CO 0.16 -0.19 0.03 -0.22 0.00 0.00 0.00 175.10 174.88 1y9j s LEU 41 N -4.08 1.90 -0.21 3.92 2.96 -0.73 0.17 118.68 122.61 1y9j s LEU 41 Ca 0.42 -0.02 -0.02 0.00 -0.22 0.00 0.00 54.13 54.29 1y9j s LEU 41 Cb -0.08 0.14 0.06 0.00 0.50 0.00 0.00 46.19 46.81 1y9j s LEU 41 CO 0.29 -0.07 0.02 -0.63 -1.32 0.00 0.00 176.35 174.64 1y9j s ILE 42 N -0.25 0.77 0.21 6.68 -1.09 1.06 -2.83 121.20 125.75 1y9j s ILE 42 Ca -0.03 -0.76 0.08 0.00 -2.23 0.00 0.00 60.65 57.71 1y9j s ILE 42 Cb -0.02 -1.25 -0.04 0.00 -1.58 0.00 0.00 42.46 39.57 1y9j s ILE 42 CO -0.00 -0.22 0.00 -0.72 -1.23 0.00 0.00 174.94 172.77 1y9j s TYR 43 N 1.74 2.79 0.00 3.97 1.13 -1.14 -0.33 117.35 125.51 1y9j s TYR 43 Ca -0.01 -0.17 0.00 0.00 -1.41 0.00 0.00 57.07 55.47 1y9j s TYR 43 Cb -0.17 -1.31 0.00 0.00 -1.10 0.00 0.00 41.96 39.38 1y9j s TYR 43 CO -0.09 0.55 0.00 -3.47 -2.51 0.00 0.00 175.55 170.03 1y9j n ASP 44 N -0.44 1.49 -0.38 -0.18 2.03 -1.24 -3.05 116.55 114.77 1y9j n ASP 44 Ca -0.09 -0.90 -0.02 0.00 0.52 0.00 0.00 54.79 54.30 1y9j n ASP 44 Cb 0.57 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.99 1y9j n ASP 44 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1y9j n ARG 45 N -0.23 -0.25 0.02 -0.67 3.00 -1.26 0.10 116.66 117.36 1y9j n ARG 45 Ca 0.00 1.50 -0.15 0.00 -0.01 0.00 0.00 57.85 59.19 1y9j n ARG 45 Cb 0.00 -2.23 -0.04 0.00 0.00 0.00 0.00 32.46 30.19 1y9j n ARG 45 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.63 178.37 1y9j h PHE 46 N 0.00 0.86 -0.72 -1.55 -1.00 -1.95 -2.85 116.94 109.72 1y9j h PHE 46 Ca 0.32 -0.40 0.16 0.00 2.81 0.00 0.00 57.97 60.86 1y9j h PHE 46 Cb 0.57 -0.12 -0.13 0.00 3.61 0.00 0.00 35.95 39.87 1y9j h PHE 46 CO -0.87 1.21 -0.06 0.78 -1.61 0.00 0.00 178.31 177.76 1y9j h GLY 47 N 0.84 0.71 2.00 -1.45 0.00 -0.53 0.60 103.07 105.24 1y9j h GLY 47 Ca -0.06 0.15 -0.13 0.00 0.00 0.00 0.00 47.33 47.29 1y9j h GLY 47 CO 0.16 -0.28 -0.61 0.06 0.00 0.00 0.00 176.54 175.87 1y9j h GLN 48 N 0.06 0.00 0.00 4.80 3.07 -1.11 0.19 115.11 122.12 1y9j h GLN 48 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.12 1y9j h GLN 48 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.20 1y9j h GLN 48 CO -0.68 0.61 0.00 -3.47 0.09 0.00 0.00 178.83 175.39 1y9j n ASP 49 N -3.64 0.14 0.00 0.06 2.03 0.20 -2.67 116.55 112.66 1y9j n ASP 49 Ca -0.01 0.54 0.00 0.00 0.52 0.00 0.00 54.79 55.85 1y9j n ASP 49 Cb 0.65 -0.57 0.00 0.00 -0.72 0.00 0.00 41.12 40.48 1y9j n ASP 49 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1y9j n ILE 50 N -1.66 0.00 0.02 5.18 5.41 -0.23 -4.64 119.36 123.43 1y9j n ILE 50 Ca 0.02 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.65 1y9j n ILE 50 Cb 0.13 -0.44 -0.08 0.00 -0.71 0.00 0.00 39.64 38.55 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 1.12 0.55 1.39 2.10 -0.68 -3.17 117.51 118.81 1y9j h ILE 51 Ca 0.00 -0.34 -0.02 0.00 1.08 0.00 0.00 64.86 65.57 1y9j h ILE 51 Cb 0.87 1.33 0.00 0.00 -1.09 0.00 0.00 36.82 37.93 1y9j h ILE 51 CO 0.00 0.09 -0.29 0.28 -1.08 0.00 0.00 178.15 177.15 1y9j h SER 52 N -0.12 -0.71 -0.74 2.19 0.02 -1.62 0.94 113.55 113.51 1y9j h SER 52 Ca 0.00 0.03 0.21 0.00 -0.84 0.00 0.00 61.79 61.20 1y9j h SER 52 Cb 0.14 0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 1y9j h SER 52 CO -0.00 -0.48 0.80 -0.65 -1.14 0.00 0.00 176.83 175.36 1y9j h PRO 53 N -0.78 0.00 0.00 3.45 0.11 -1.77 0.18 132.00 133.20 1y9j h PRO 53 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1y9j h PRO 53 Cb 0.61 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.72 1y9j h PRO 53 CO 0.10 0.00 -0.07 1.28 -0.21 0.00 0.00 178.00 179.10 1y9j n LEU 54 N -3.55 1.46 -3.44 2.35 4.77 -1.04 -5.07 117.00 112.49 1y9j n LEU 54 Ca 0.15 -1.84 -0.12 0.00 -0.03 0.00 0.00 56.01 54.18 1y9j n LEU 54 Cb 1.05 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.98 1y9j n LEU 54 CO 0.27 0.44 0.45 -0.22 -1.33 0.00 0.00 177.39 177.00 1y9j s LEU 55 N -1.25 -0.54 0.42 2.23 0.20 0.32 -5.03 118.68 115.02 1y9j s LEU 55 Ca 0.10 0.05 0.04 0.00 0.69 0.00 0.00 54.13 55.01 1y9j s LEU 55 Cb 0.09 2.50 -0.02 0.00 -0.43 0.00 0.00 46.19 48.33 1y9j s LEU 55 CO 0.01 -0.89 0.12 -0.44 -0.29 0.00 0.00 176.35 174.86 1y9j s SER 56 N -2.58 2.89 0.03 3.68 0.01 -1.26 -3.91 113.70 112.56 1y9j s SER 56 Ca 0.01 -1.67 -0.20 0.00 1.31 0.00 0.00 55.95 55.40 1y9j s SER 56 Cb -0.01 0.49 -0.16 0.00 0.21 0.00 0.00 66.02 66.56 1y9j s SER 56 CO -0.11 -0.92 1.30 0.58 0.41 0.00 0.00 173.24 174.50 1y9j h VAL 57 N 1.76 1.37 -0.15 3.43 2.07 -1.98 -1.83 116.25 120.92 1y9j h VAL 57 Ca -0.36 -1.44 -0.08 0.00 0.82 0.00 0.00 66.70 65.64 1y9j h VAL 57 Cb 1.28 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 33.05 1y9j h VAL 57 CO 0.58 0.42 -0.28 0.11 0.02 0.00 0.00 177.57 178.42 1y9j h LYS 58 N -0.05 0.27 0.00 1.57 1.57 -2.00 -2.22 116.57 115.71 1y9j h LYS 58 Ca 0.01 -0.10 -0.12 0.00 -1.87 0.00 0.00 60.65 58.57 1y9j h LYS 58 Cb 0.77 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 1y9j h LYS 58 CO 0.05 0.54 -0.59 0.93 -0.57 0.00 0.00 179.45 179.80 1y9j h GLU 59 N 0.24 0.00 0.30 3.15 4.39 -1.97 -1.84 114.58 118.85 1y9j h GLU 59 Ca 0.04 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 1y9j h GLU 59 Cb 0.63 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 1y9j h GLU 59 CO 0.05 0.59 -0.14 -0.07 -1.16 0.00 0.00 179.01 178.27 1y9j h LEU 60 N 0.00 -0.34 -1.09 1.33 3.38 -0.72 0.14 115.31 118.02 1y9j h LEU 60 Ca -0.01 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1y9j h LEU 60 Cb 1.21 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 1y9j h LEU 60 CO 0.08 -0.17 -0.23 0.03 0.09 0.00 0.00 178.44 178.24 1y9j h ARG 61 N -0.48 0.00 0.00 1.13 2.47 -1.51 -2.47 114.38 113.52 1y9j h ARG 61 Ca -0.04 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.60 1y9j h ARG 61 Cb 0.36 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.67 1y9j h ARG 61 CO 0.07 0.23 -0.36 -0.44 0.56 0.00 0.00 179.97 180.02 1y9j h ASP 62 N 0.00 0.00 1.81 7.04 5.19 -0.98 -3.20 116.42 126.29 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 0.76 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.27 1y9j h ASP 62 CO 0.03 0.36 -0.19 0.24 -3.12 0.00 0.00 179.24 176.56 1y9j h MET 63 N 0.00 0.00 0.00 3.56 2.86 -0.47 -3.47 114.93 117.41 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 1.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.90 1y9j h MET 63 CO 0.05 0.01 0.00 0.41 1.06 0.00 0.00 176.91 178.43 1y9j n GLY 64 N 1.12 1.30 3.65 8.32 0.00 -1.18 -4.82 105.19 113.57 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 -1.92 4.92 -0.42 -0.61 2.07 -0.95 -1.87 121.20 122.41 1y9j s ILE 65 Ca 0.00 0.01 0.23 0.00 -1.41 0.00 0.00 60.65 59.48 1y9j s ILE 65 Cb 0.00 -3.23 -0.08 0.00 0.13 0.00 0.00 42.46 39.28 1y9j s ILE 65 CO 0.00 0.45 1.00 1.07 -1.91 0.00 0.00 174.94 175.55 1y9j n THR 66 N 3.63 0.32 -3.64 4.00 5.66 -0.89 -4.48 114.28 118.88 1y9j n THR 66 Ca -0.16 -0.38 -0.04 0.00 -3.05 0.00 0.00 64.05 60.41 1y9j n THR 66 Cb 0.52 -0.04 -0.07 0.00 -1.55 0.00 0.00 70.33 69.19 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 -4.51 -0.28 -0.10 1.09 1.98 -1.26 -5.05 118.68 110.55 1y9j s LEU 67 Ca 0.01 0.51 -0.03 0.00 -2.89 0.00 0.00 54.13 51.73 1y9j s LEU 67 Cb 0.13 1.50 0.05 0.00 0.66 0.00 0.00 46.19 48.53 1y9j s LEU 67 CO 0.80 -0.09 0.08 -1.38 -1.89 0.00 0.00 176.35 173.88 1y9j s HIS 68 N 0.46 0.09 0.21 5.38 -3.43 -1.26 -1.78 115.29 114.96 1y9j s HIS 68 Ca 0.01 0.04 -0.02 0.00 -0.80 0.00 0.00 55.06 54.29 1y9j s HIS 68 Cb -0.04 -0.55 -0.04 0.00 -1.43 0.00 0.00 32.58 30.52 1y9j s HIS 68 CO -0.11 -0.34 0.18 -0.48 -2.00 0.00 0.00 174.74 171.98 1y9j s LEU 69 N 2.17 1.06 -0.12 5.38 -0.00 -1.13 -5.03 118.68 121.01 1y9j s LEU 69 Ca 0.04 -1.34 -0.20 0.00 -0.00 0.00 0.00 54.13 52.62 1y9j s LEU 69 Cb -0.14 0.56 -0.04 0.00 -0.00 0.00 0.00 46.19 46.57 1y9j s LEU 69 CO -0.06 -0.88 0.57 -0.76 -0.00 0.00 0.00 176.35 175.22 1y9j s LEU 70 N -3.15 4.26 0.57 1.48 1.43 -1.26 -2.86 118.68 119.15 1y9j s LEU 70 Ca 0.37 0.93 0.30 0.00 -1.03 0.00 0.00 54.13 54.70 1y9j s LEU 70 Cb 0.06 -2.85 1.46 0.00 0.03 0.00 0.00 46.19 44.89 1y9j s LEU 70 CO 0.12 -0.08 1.87 -0.07 0.23 0.00 0.00 176.35 178.42 1y9j h LEU 71 N 7.00 0.00 -3.04 1.79 4.07 -1.89 0.62 115.31 123.86 1y9j h LEU 71 Ca -0.39 0.00 -0.24 0.00 0.08 0.00 0.00 57.88 57.33 1y9j h LEU 71 Cb 1.18 0.00 -0.13 0.00 1.08 0.00 0.00 40.66 42.79 1y9j h LEU 71 CO 0.76 0.00 0.31 1.57 -1.08 0.00 0.00 178.44 180.00 1y9j n HIS 72 N -3.90 1.32 -3.81 1.13 -0.00 -1.26 -4.86 115.22 103.84 1y9j n HIS 72 Ca 0.13 -1.34 -0.08 0.00 0.46 0.00 0.00 57.72 56.89 1y9j n HIS 72 Cb 0.81 -0.67 -0.02 0.00 -0.12 0.00 0.00 29.99 30.00 1y9j n HIS 72 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 1y9j n SER 73 N 0.04 -0.71 -4.64 0.26 3.41 0.21 -5.12 113.62 107.07 1y9j n SER 73 Ca 0.26 -1.98 -0.43 0.00 -0.26 0.00 0.00 58.87 56.46 1y9j n SER 73 Cb 0.85 1.33 -0.02 0.00 -0.26 0.00 0.00 64.21 66.10 1y9j n SER 73 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1y9j s ASP 74 N -2.12 6.78 0.20 4.04 1.11 -1.26 -4.91 116.67 120.50 1y9j s ASP 74 Ca 0.15 1.30 -0.09 0.00 0.18 0.00 0.00 52.55 54.09 1y9j s ASP 74 Cb -0.01 -2.54 -0.07 0.00 1.07 0.00 0.00 42.92 41.38 1y9j s ASP 74 CO 0.11 -0.97 0.50 -0.13 1.18 0.00 0.00 175.17 175.86 1y9j s ARG 75 N 3.93 3.77 -0.05 8.23 1.81 -1.26 -4.91 118.95 130.47 1y9j s ARG 75 Ca 0.54 0.21 -0.09 0.00 -1.72 0.00 0.00 55.73 54.67 1y9j s ARG 75 Cb -0.17 -2.73 -0.05 0.00 -0.45 0.00 0.00 34.95 31.55 1y9j s ARG 75 CO 0.20 0.38 0.26 -0.51 -0.68 0.00 0.00 175.30 174.94 1y9j s ASP 76 N -2.29 6.55 -0.46 0.23 1.01 -1.26 -5.06 116.67 115.39 1y9j s ASP 76 Ca 0.44 0.65 -0.26 0.00 0.71 0.00 0.00 52.55 54.09 1y9j s ASP 76 Cb -0.12 -2.13 0.03 0.00 1.01 0.00 0.00 42.92 41.71 1y9j s ASP 76 CO 0.22 0.34 0.95 -2.16 0.21 0.00 0.00 175.17 174.73 1y9j s PRO 77 N -1.23 3.55 -0.47 8.23 0.04 -1.26 -4.82 135.00 139.05 1y9j s PRO 77 Ca 0.21 0.21 0.06 0.00 0.04 0.00 0.00 61.00 61.52 1y9j s PRO 77 Cb -0.14 -3.92 0.23 0.00 0.04 0.00 0.00 34.50 30.70 1y9j s PRO 77 CO 0.10 -1.24 0.52 -0.89 0.04 0.00 0.00 177.00 175.53 1y9j n ILE 78 N 6.47 -0.07 0.27 0.56 -0.00 0.51 -4.94 119.36 122.16 1y9j n ILE 78 Ca 0.07 -4.17 0.16 0.00 -0.00 0.00 0.00 62.75 58.81 1y9j n ILE 78 Cb 0.49 -1.93 0.78 0.00 -0.00 0.00 0.00 39.64 38.97 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 4.52 0.00 -0.82 0.38 -0.00 -1.70 -2.37 114.38 114.39 1y9j h ARG 79 Ca 0.15 0.00 -0.36 0.00 -0.00 0.00 0.00 59.98 59.76 1y9j h ARG 79 Cb 0.84 0.00 -0.22 0.00 -0.00 0.00 0.00 29.97 30.59 1y9j h ARG 79 CO 0.53 0.00 0.42 -3.47 -0.00 0.00 0.00 179.97 177.45 1y9j n ASP 80 N -2.62 3.99 -3.70 0.08 -0.08 -1.26 -3.51 116.55 109.44 1y9j n ASP 80 Ca -0.01 -3.48 -0.11 0.00 -1.51 0.00 0.00 54.79 49.67 1y9j n ASP 80 Cb 0.12 -0.78 -0.12 0.00 2.34 0.00 0.00 41.12 42.68 1y9j n ASP 80 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1y9j s VAL 81 N -3.18 -0.11 0.49 5.18 1.01 -0.89 -4.99 120.40 117.91 1y9j s VAL 81 Ca 0.55 0.14 -0.24 0.00 0.00 0.00 0.00 61.98 62.42 1y9j s VAL 81 Cb 0.45 -0.52 -0.07 0.00 0.00 0.00 0.00 36.38 36.25 1y9j s VAL 81 CO 0.10 0.06 1.38 -2.65 0.00 0.00 0.00 175.10 173.99 1y9j n PRO 82 N 4.43 1.97 -4.38 2.72 -0.02 -1.25 -2.60 135.00 135.87 1y9j n PRO 82 Ca -0.22 0.71 -0.20 0.00 -2.02 0.00 0.00 63.50 61.78 1y9j n PRO 82 Cb 0.53 -2.58 -0.10 0.00 -0.02 0.00 0.00 33.50 31.33 1y9j n PRO 82 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1y9j s ALA 83 N -1.24 2.17 -0.02 3.55 0.00 -1.01 0.10 121.76 125.31 1y9j s ALA 83 Ca 0.66 -1.74 0.03 0.00 0.00 0.00 0.00 51.96 50.91 1y9j s ALA 83 Cb -0.44 -0.03 -0.00 0.00 0.00 0.00 0.00 23.12 22.65 1y9j s ALA 83 CO 0.54 0.05 -0.12 0.08 0.00 0.00 0.00 175.76 176.31 1y9j s VAL 84 N -2.94 1.00 -0.63 0.00 1.01 0.46 0.12 120.40 119.41 1y9j s VAL 84 Ca 0.25 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.78 1y9j s VAL 84 Cb 0.00 -0.86 0.19 0.00 0.00 0.00 0.00 36.38 35.71 1y9j s VAL 84 CO 0.09 0.29 0.51 -1.22 0.00 0.00 0.00 175.10 174.77 1y9j n TYR 85 N 3.06 2.38 -2.69 5.22 4.02 0.33 0.34 117.16 129.82 1y9j n TYR 85 Ca -0.17 -4.07 -0.43 0.00 -0.01 0.00 0.00 57.90 53.23 1y9j n TYR 85 Cb 0.55 -0.44 -0.01 0.00 -0.02 0.00 0.00 39.34 39.41 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 -1.34 2.86 0.31 -0.72 5.36 0.55 -1.87 117.98 123.14 1y9j s PHE 86 Ca 0.29 -1.40 0.04 0.00 -0.96 0.00 0.00 56.93 54.91 1y9j s PHE 86 Cb 0.01 -4.59 -0.03 0.00 -0.34 0.00 0.00 43.02 38.07 1y9j s PHE 86 CO -0.15 -1.74 0.19 0.14 -1.46 0.00 0.00 175.22 172.21 1y9j s VAL 87 N 3.81 0.20 0.23 3.12 -7.23 -0.11 -3.61 120.40 116.82 1y9j s VAL 87 Ca 0.46 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 58.41 1y9j s VAL 87 Cb 0.00 -2.49 -0.08 0.00 0.56 0.00 0.00 36.38 34.37 1y9j s VAL 87 CO -0.02 0.00 0.78 -0.32 -0.31 0.00 0.00 175.10 175.22 1y9j s MET 88 N -3.74 4.38 -0.00 4.82 1.75 -1.26 -2.48 119.30 122.77 1y9j s MET 88 Ca 0.37 1.01 -0.03 0.00 -1.25 0.00 0.00 55.69 55.78 1y9j s MET 88 Cb 0.04 -2.94 -0.15 0.00 2.84 0.00 0.00 34.83 34.62 1y9j s MET 88 CO 0.20 0.41 2.94 -0.35 -0.65 0.00 0.00 175.02 177.56 1y9j n PRO 89 N 0.87 1.58 -2.74 4.11 -0.04 -1.26 -4.52 135.00 133.00 1y9j n PRO 89 Ca -0.02 -0.58 -0.33 0.00 -0.04 0.00 0.00 63.50 62.53 1y9j n PRO 89 Cb 0.50 -1.58 -0.06 0.00 -0.04 0.00 0.00 33.50 32.32 1y9j n PRO 89 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1y9j s THR 90 N 0.57 4.44 0.33 0.52 -4.23 -1.26 -4.73 115.64 111.28 1y9j s THR 90 Ca 0.39 1.39 0.11 0.00 -1.18 0.00 0.00 61.69 62.40 1y9j s THR 90 Cb 0.19 -3.63 0.38 0.00 1.34 0.00 0.00 72.50 70.78 1y9j s THR 90 CO -0.00 -0.40 1.54 -0.62 -0.54 0.00 0.00 174.62 174.60 1y9j n GLU 91 N -0.85 -0.07 -0.04 3.99 1.02 -1.26 0.88 120.64 124.31 1y9j n GLU 91 Ca 0.07 1.42 -0.12 0.00 -0.02 0.00 0.00 57.16 58.50 1y9j n GLU 91 Cb 0.54 -2.38 -0.06 0.00 -0.02 0.00 0.00 31.44 29.51 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 0.23 -0.29 3.49 5.08 -1.94 -2.84 114.58 118.31 1y9j h GLU 92 Ca 0.71 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 59.01 1y9j h GLU 92 Cb 1.68 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.89 1y9j h GLU 92 CO -0.85 0.47 0.16 -0.91 -1.00 0.00 0.00 179.01 176.89 1y9j h ASN 93 N -0.04 0.26 -0.93 1.42 2.35 0.25 -1.06 115.58 117.83 1y9j h ASN 93 Ca 0.04 0.01 0.24 0.00 -0.55 0.00 0.00 56.30 56.03 1y9j h ASN 93 Cb 0.37 -0.05 -0.06 0.00 0.05 0.00 0.00 38.32 38.63 1y9j h ASN 93 CO 0.01 0.19 0.63 0.40 -1.65 0.00 0.00 177.43 177.01 1y9j h ILE 94 N 0.34 0.60 0.00 2.81 1.08 -0.45 0.98 117.51 122.86 1y9j h ILE 94 Ca 0.12 -0.08 -0.15 0.00 -0.39 0.00 0.00 64.86 64.36 1y9j h ILE 94 Cb 0.01 0.33 -0.02 0.00 -3.07 0.00 0.00 36.82 34.07 1y9j h ILE 94 CO -0.06 0.04 -0.69 0.44 -0.69 0.00 0.00 178.15 177.19 1y9j h ASP 95 N 0.24 0.00 0.08 1.72 3.32 -0.97 -3.05 116.42 117.77 1y9j h ASP 95 Ca 0.48 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.37 1y9j h ASP 95 Cb 1.45 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.00 1y9j h ASP 95 CO -0.13 0.69 -0.55 0.03 -1.72 0.00 0.00 179.24 177.56 1y9j h ARG 96 N 0.00 0.50 -0.46 3.56 3.08 0.17 -0.87 114.38 120.36 1y9j h ARG 96 Ca -0.01 -0.31 -0.06 0.00 0.07 0.00 0.00 59.98 59.67 1y9j h ARG 96 Cb 1.29 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.36 1y9j h ARG 96 CO 0.09 0.92 0.05 -0.07 -1.07 0.00 0.00 179.97 179.89 1y9j h LEU 97 N 0.38 0.74 -0.95 3.04 -0.00 -1.12 0.33 115.31 117.73 1y9j h LEU 97 Ca 0.01 -0.28 -0.07 0.00 -0.00 0.00 0.00 57.88 57.54 1y9j h LEU 97 Cb 1.09 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 41.54 1y9j h LEU 97 CO 0.10 0.83 -0.34 0.00 -0.00 0.00 0.00 178.44 179.03 1y9j h GLN 99 N 0.00 0.30 0.01 0.00 1.08 -0.68 -2.79 115.11 113.03 1y9j h GLN 99 Ca -0.00 -0.46 -0.19 0.00 -1.45 0.00 0.00 58.65 56.54 1y9j h GLN 99 Cb 0.87 0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 28.45 1y9j h GLN 99 CO 0.04 1.20 -0.88 0.38 -0.95 0.00 0.00 178.83 178.62 1y9j h ASP 100 N -0.36 0.08 0.49 1.46 3.04 -0.33 -2.35 116.42 118.45 1y9j h ASP 100 Ca -0.12 -0.07 -0.13 0.00 -3.24 0.00 0.00 57.03 53.47 1y9j h ASP 100 Cb 1.53 -0.02 -0.02 0.00 -1.04 0.00 0.00 39.33 39.78 1y9j h ASP 100 CO 0.14 0.92 -0.58 -0.07 -2.04 0.00 0.00 179.24 177.61 1y9j h LEU 101 N 0.03 0.10 0.02 0.15 3.38 -0.80 -2.24 115.31 115.95 1y9j h LEU 101 Ca -0.02 -0.05 -0.23 0.00 0.09 0.00 0.00 57.88 57.66 1y9j h LEU 101 Cb 1.54 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 42.23 1y9j h LEU 101 CO 0.12 0.65 -1.15 0.03 0.09 0.00 0.00 178.44 178.18 1y9j h ARG 102 N 0.07 0.03 0.00 1.13 3.08 -1.49 -3.26 114.38 113.94 1y9j h ARG 102 Ca -0.00 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 1y9j h ARG 102 Cb 1.04 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.10 1y9j h ARG 102 CO 0.08 0.95 -0.28 -0.91 -1.07 0.00 0.00 179.97 178.73 1y9j h ASN 103 N 0.01 0.00 -3.60 7.04 2.35 -1.31 -3.47 115.58 116.60 1y9j h ASN 103 Ca -0.07 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.36 1y9j h ASN 103 Cb 1.84 0.00 0.05 0.00 0.05 0.00 0.00 38.32 40.25 1y9j h ASN 103 CO 0.13 0.28 -0.48 0.00 -1.65 0.00 0.00 177.43 175.72 1y9j n GLN 104 N -3.32 -3.84 0.23 0.81 6.02 -0.85 -4.88 117.38 111.55 1y9j n GLN 104 Ca 0.01 0.72 0.10 0.00 -0.01 0.00 0.00 57.00 57.82 1y9j n GLN 104 Cb 0.53 -5.18 0.67 0.00 1.02 0.00 0.00 30.24 27.28 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 -1.09 0.00 -7.78 1.08 3.38 -1.89 -3.38 115.31 105.64 1y9j h LEU 105 Ca -0.42 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.38 1y9j h LEU 105 Cb 1.29 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.81 1y9j h LEU 105 CO 0.45 0.00 -0.60 -0.31 0.09 0.00 0.00 178.44 178.06 1y9j s TYR 106 N -5.02 0.06 0.08 1.13 1.51 -1.26 0.19 117.35 114.04 1y9j s TYR 106 Ca -0.05 -0.12 -0.22 0.00 -1.01 0.00 0.00 57.07 55.67 1y9j s TYR 106 Cb 0.17 -0.06 -0.13 0.00 -0.11 0.00 0.00 41.96 41.83 1y9j s TYR 106 CO 0.66 -0.17 1.62 1.49 -1.11 0.00 0.00 175.55 178.05 1y9j h GLU 107 N 5.04 0.14 -6.39 -0.62 4.57 -1.54 -3.45 114.58 112.33 1y9j h GLU 107 Ca -0.29 -0.02 -0.44 0.00 -1.18 0.00 0.00 59.36 57.43 1y9j h GLU 107 Cb 1.20 -0.02 0.01 0.00 -0.16 0.00 0.00 28.75 29.78 1y9j h GLU 107 CO 0.43 0.23 -0.28 0.45 -1.18 0.00 0.00 179.01 178.66 1y9j s SER 108 N -5.45 5.48 -0.44 1.04 0.15 -1.26 -3.58 113.70 109.64 1y9j s SER 108 Ca -0.14 -0.53 0.07 0.00 0.70 0.00 0.00 55.95 56.06 1y9j s SER 108 Cb 0.06 -0.57 0.27 0.00 -1.71 0.00 0.00 66.02 64.06 1y9j s SER 108 CO 0.68 -0.77 0.79 -1.22 1.20 0.00 0.00 173.24 173.92 1y9j n TYR 109 N -1.81 -2.00 -1.56 3.44 4.01 -0.47 -2.40 117.16 116.37 1y9j n TYR 109 Ca 0.07 -2.58 -0.13 0.00 -0.16 0.00 0.00 57.90 55.10 1y9j n TYR 109 Cb 0.60 0.78 -0.08 0.00 -0.31 0.00 0.00 39.34 40.33 1y9j n TYR 109 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1y9j n TYR 110 N 1.24 1.11 -2.68 -0.72 4.19 0.32 -2.72 117.16 117.89 1y9j n TYR 110 Ca 0.14 -0.04 -0.33 0.00 3.31 0.00 0.00 57.90 60.98 1y9j n TYR 110 Cb 0.61 -2.57 -0.06 0.00 0.49 0.00 0.00 39.34 37.81 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 14.86 3.86 -0.28 2.98 1.43 0.39 0.12 118.68 142.05 1y9j s LEU 111 Ca 0.92 1.70 -0.18 0.00 -1.03 0.00 0.00 54.13 55.55 1y9j s LEU 111 Cb -0.14 -4.54 0.08 0.00 0.03 0.00 0.00 46.19 41.63 1y9j s LEU 111 CO 0.10 -0.48 0.70 0.21 0.23 0.00 0.00 176.35 177.12 1y9j s ASN 112 N -2.33 -0.90 -0.10 2.29 2.47 -0.78 0.14 114.94 115.72 1y9j s ASN 112 Ca 0.62 1.49 -0.03 0.00 0.42 0.00 0.00 52.86 55.37 1y9j s ASN 112 Cb -0.10 1.40 -0.03 0.00 -1.45 0.00 0.00 41.25 41.06 1y9j s ASN 112 CO 0.18 -0.24 0.01 -0.36 -3.72 0.00 0.00 177.10 172.97 1y9j s PHE 113 N 1.40 3.17 -0.11 0.43 0.08 -1.23 -0.94 117.98 120.78 1y9j s PHE 113 Ca -0.08 0.13 0.14 0.00 0.12 0.00 0.00 56.93 57.24 1y9j s PHE 113 Cb -0.05 -1.84 -0.00 0.00 -0.57 0.00 0.00 43.02 40.56 1y9j s PHE 113 CO -0.16 0.38 1.36 0.82 -0.10 0.00 0.00 175.22 177.52 1y9j h ILE 114 N 4.35 0.98 -4.80 0.64 1.08 -1.82 -3.33 117.51 114.60 1y9j h ILE 114 Ca -0.47 -2.41 -0.40 0.00 -0.39 0.00 0.00 64.86 61.19 1y9j h ILE 114 Cb 1.19 2.46 -0.06 0.00 -3.07 0.00 0.00 36.82 37.34 1y9j h ILE 114 CO 0.57 0.56 -0.27 -0.24 -0.69 0.00 0.00 178.15 178.08 1y9j n SER 115 N -3.22 2.67 -4.46 1.72 2.88 -1.26 -1.84 113.62 110.11 1y9j n SER 115 Ca 0.01 -2.34 -0.43 0.00 -1.33 0.00 0.00 58.87 54.77 1y9j n SER 115 Cb 0.78 0.15 -0.03 0.00 -0.75 0.00 0.00 64.21 64.37 1y9j n SER 115 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1y9j s ALA 116 N -2.53 3.22 0.70 -1.46 0.00 -1.26 -4.78 121.76 115.64 1y9j s ALA 116 Ca 0.05 -2.38 -0.11 0.00 0.00 0.00 0.00 51.96 49.52 1y9j s ALA 116 Cb -0.00 -4.02 0.01 0.00 0.00 0.00 0.00 23.12 19.11 1y9j s ALA 116 CO 0.03 -2.96 1.06 -1.50 0.00 0.00 0.00 175.76 172.40 1y9j s ILE 117 N 3.39 3.89 0.23 0.00 2.07 -1.26 -5.06 121.20 124.46 1y9j s ILE 117 Ca 0.30 0.64 0.06 0.00 -1.41 0.00 0.00 60.65 60.24 1y9j s ILE 117 Cb -0.09 -3.32 -0.03 0.00 0.13 0.00 0.00 42.46 39.14 1y9j s ILE 117 CO -0.02 -0.78 0.23 -0.55 -1.91 0.00 0.00 174.94 171.91 1y9j s SER 118 N -3.63 5.73 0.31 4.50 0.15 -1.26 -4.94 113.70 114.57 1y9j s SER 118 Ca 0.59 -0.15 0.06 0.00 0.70 0.00 0.00 55.95 57.15 1y9j s SER 118 Cb -0.15 -1.53 0.73 0.00 -1.71 0.00 0.00 66.02 63.37 1y9j s SER 118 CO 0.53 -0.03 1.81 0.03 1.20 0.00 0.00 173.24 176.78 1y9j h ARG 119 N 1.56 0.76 0.11 5.44 3.08 -1.98 0.59 114.38 123.94 1y9j h ARG 119 Ca -0.49 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.51 1y9j h ARG 119 Cb 1.23 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.11 1y9j h ARG 119 CO 0.61 0.50 -0.05 0.77 -1.07 0.00 0.00 179.97 180.74 1y9j h SER 120 N 0.78 -0.12 0.03 7.04 0.02 -2.00 -0.64 113.55 118.67 1y9j h SER 120 Ca 0.54 -0.13 -0.10 0.00 -0.84 0.00 0.00 61.79 61.26 1y9j h SER 120 Cb 0.81 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.37 1y9j h SER 120 CO -0.31 0.05 -0.31 0.11 -1.14 0.00 0.00 176.83 175.23 1y9j h LYS 121 N -0.30 0.41 0.49 3.45 1.57 -1.71 -2.91 116.57 117.57 1y9j h LYS 121 Ca -0.01 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 1y9j h LYS 121 Cb 0.24 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1y9j h LYS 121 CO 0.02 0.68 -0.23 -0.07 -0.57 0.00 0.00 179.45 179.28 1y9j h LEU 122 N 0.36 -0.56 -1.66 2.94 3.38 0.31 -2.58 115.31 117.50 1y9j h LEU 122 Ca 0.05 -0.05 0.23 0.00 0.09 0.00 0.00 57.88 58.20 1y9j h LEU 122 Cb 0.73 0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.56 1y9j h LEU 122 CO 0.06 -0.29 0.63 -0.33 0.09 0.00 0.00 178.44 178.60 1y9j h GLU 123 N -0.81 0.25 -0.41 1.13 5.08 -1.11 0.30 114.58 119.01 1y9j h GLU 123 Ca -0.07 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1y9j h GLU 123 Cb 0.57 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 1y9j h GLU 123 CO 0.11 0.17 0.20 0.22 -1.00 0.00 0.00 179.01 178.70 1y9j h ASP 124 N 0.26 0.27 -0.02 1.42 1.82 -1.26 1.05 116.42 119.97 1y9j h ASP 124 Ca 0.47 0.03 -0.03 0.00 -0.39 0.00 0.00 57.03 57.11 1y9j h ASP 124 Cb 1.42 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.41 1y9j h ASP 124 CO -0.13 0.20 -0.09 0.40 -1.61 0.00 0.00 179.24 178.00 1y9j h ILE 125 N 0.40 1.52 -0.85 2.25 5.03 -0.39 0.54 117.51 126.00 1y9j h ILE 125 Ca 0.18 -1.66 0.11 0.00 -0.12 0.00 0.00 64.86 63.37 1y9j h ILE 125 Cb 0.10 2.58 -0.08 0.00 -3.03 0.00 0.00 36.82 36.40 1y9j h ILE 125 CO -0.14 0.44 0.48 0.00 -0.68 0.00 0.00 178.15 178.26 1y9j h ALA 126 N 0.34 1.23 0.00 1.87 0.00 -0.44 0.75 119.26 123.00 1y9j h ALA 126 Ca -0.01 0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 1y9j h ALA 126 Cb 0.77 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1y9j h ALA 126 CO 0.02 0.08 -0.85 -0.91 0.00 0.00 0.00 179.25 177.59 1y9j h ASN 127 N 0.79 0.00 -0.98 0.00 2.35 0.11 -3.05 115.58 114.80 1y9j h ASN 127 Ca 0.42 0.00 0.28 0.00 -0.55 0.00 0.00 56.30 56.46 1y9j h ASN 127 Cb 0.43 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.76 1y9j h ASN 127 CO -0.27 0.85 0.71 0.00 -1.65 0.00 0.00 177.43 177.07 1y9j h ALA 128 N 1.15 2.92 0.17 -0.83 0.00 0.25 0.16 119.26 123.09 1y9j h ALA 128 Ca -0.01 -0.03 -0.35 0.00 0.00 0.00 0.00 54.91 54.52 1y9j h ALA 128 Cb 1.53 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1y9j h ALA 128 CO 0.11 -1.20 -1.79 0.00 0.00 0.00 0.00 179.25 176.36 1y9j h ALA 129 N 1.51 0.23 -1.09 0.00 0.00 -1.40 -3.34 119.26 115.17 1y9j h ALA 129 Ca 0.47 -1.20 0.32 0.00 0.00 0.00 0.00 54.91 54.49 1y9j h ALA 129 Cb 1.87 0.53 -0.04 0.00 0.00 0.00 0.00 17.79 20.14 1y9j h ALA 129 CO -0.01 1.08 0.89 -0.07 0.00 0.00 0.00 179.25 181.14 1y9j h LEU 130 N 0.06 0.00 -0.41 0.00 -0.00 -0.58 1.46 115.31 115.84 1y9j h LEU 130 Ca -0.36 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.43 1y9j h LEU 130 Cb 2.06 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.70 1y9j h LEU 130 CO 0.15 0.00 -0.07 0.00 -0.00 0.00 0.00 178.44 178.51 1y9j h ALA 131 N 1.24 0.56 -0.02 1.53 0.00 -1.59 -3.23 119.26 117.76 1y9j h ALA 131 Ca 0.52 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1y9j h ALA 131 Cb 2.29 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.93 1y9j h ALA 131 CO -0.01 0.40 -0.18 0.00 0.00 0.00 0.00 179.25 179.47 1y9j n ALA 132 N -2.44 2.85 -3.49 0.00 0.00 0.12 -4.99 120.51 112.57 1y9j n ALA 132 Ca -0.01 -0.58 -0.21 0.00 0.00 0.00 0.00 53.44 52.63 1y9j n ALA 132 Cb 0.34 -0.57 0.07 0.00 0.00 0.00 0.00 19.45 19.29 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 0.38 -5.69 -4.73 0.00 5.15 0.46 -4.97 115.26 105.86 1y9j n ASN 133 Ca 0.08 -0.50 -0.39 0.00 -0.60 0.00 0.00 54.58 53.18 1y9j n ASN 133 Cb 0.38 -4.65 -0.05 0.00 -0.53 0.00 0.00 39.78 34.93 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 -3.29 3.42 -0.38 5.20 0.00 -1.12 -4.98 121.76 120.60 1y9j s ALA 134 Ca 0.49 -0.00 -0.27 0.00 0.00 0.00 0.00 51.96 52.18 1y9j s ALA 134 Cb -0.22 -2.80 -0.06 0.00 0.00 0.00 0.00 23.12 20.04 1y9j s ALA 134 CO 0.67 -0.01 2.33 0.08 0.00 0.00 0.00 175.76 178.83 1y9j s VAL 135 N 0.52 3.01 0.19 0.00 1.01 -1.23 -4.79 120.40 119.10 1y9j s VAL 135 Ca 0.32 0.01 0.10 0.00 0.00 0.00 0.00 61.98 62.41 1y9j s VAL 135 Cb -0.17 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 1y9j s VAL 135 CO 0.15 -0.01 -0.16 0.42 0.00 0.00 0.00 175.10 175.50 1y9j s THR 136 N 10.58 2.80 -0.24 3.92 -4.23 -1.26 -1.37 115.64 125.84 1y9j s THR 136 Ca 0.99 -1.84 -0.07 0.00 -1.18 0.00 0.00 61.69 59.59 1y9j s THR 136 Cb -0.24 -2.37 0.11 0.00 1.34 0.00 0.00 72.50 71.35 1y9j s THR 136 CO 0.30 -0.12 0.48 0.00 -0.54 0.00 0.00 174.62 174.74 1y9j s GLN 137 N -2.77 0.41 -0.00 3.99 0.00 -1.10 -4.95 119.66 115.23 1y9j s GLN 137 Ca 0.23 1.08 -0.21 0.00 -0.00 0.00 0.00 55.36 56.46 1y9j s GLN 137 Cb -0.08 0.38 -0.05 0.00 0.00 0.00 0.00 33.01 33.26 1y9j s GLN 137 CO 0.13 -0.31 0.61 0.08 0.00 0.00 0.00 175.29 175.79 1y9j s VAL 138 N 2.69 4.90 0.58 3.63 1.01 -1.26 0.15 120.40 132.10 1y9j s VAL 138 Ca 0.01 1.27 0.09 0.00 0.00 0.00 0.00 61.98 63.35 1y9j s VAL 138 Cb -0.13 -3.94 0.09 0.00 0.00 0.00 0.00 36.38 32.40 1y9j s VAL 138 CO -0.15 0.41 0.75 0.00 0.00 0.00 0.00 175.10 176.11 1y9j n ALA 139 N 2.73 1.19 -1.74 5.51 0.00 0.38 -4.91 120.51 123.65 1y9j n ALA 139 Ca -0.07 -2.15 -0.30 0.00 0.00 0.00 0.00 53.44 50.92 1y9j n ALA 139 Cb 0.51 0.64 0.07 0.00 0.00 0.00 0.00 19.45 20.67 1y9j n ALA 139 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1y9j s LYS 140 N -4.61 2.34 -0.04 0.00 3.01 -1.26 -4.28 119.74 114.90 1y9j s LYS 140 Ca 0.57 0.46 -0.01 0.00 -1.01 0.00 0.00 55.97 55.98 1y9j s LYS 140 Cb -0.05 -1.96 -0.04 0.00 -1.01 0.00 0.00 37.83 34.78 1y9j s LYS 140 CO 0.36 -1.40 0.05 0.08 0.51 0.00 0.00 175.35 174.95 1y9j s VAL 141 N -3.31 4.58 -0.07 3.17 1.01 -1.25 -4.28 120.40 120.25 1y9j s VAL 141 Ca 0.60 -0.34 0.06 0.00 0.00 0.00 0.00 61.98 62.29 1y9j s VAL 141 Cb -0.12 -3.03 -0.08 0.00 0.00 0.00 0.00 36.38 33.14 1y9j s VAL 141 CO 0.52 0.45 0.01 2.22 0.00 0.00 0.00 175.10 178.31 1y9j n PHE 142 N 1.56 0.00 -0.12 5.22 -1.74 -1.26 -4.58 117.46 116.54 1y9j n PHE 142 Ca -0.15 0.00 0.04 0.00 -0.56 0.00 0.00 57.45 56.78 1y9j n PHE 142 Cb 0.53 -0.35 0.25 0.00 1.52 0.00 0.00 39.48 41.43 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 -2.32 3.82 0.03 5.98 9.92 -0.88 -4.28 116.55 128.82 1y9j n ASP 143 Ca -0.12 -2.54 -0.03 0.00 -0.53 0.00 0.00 54.79 51.58 1y9j n ASP 143 Cb 0.72 -0.60 0.22 0.00 -0.64 0.00 0.00 41.12 40.83 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 2.47 0.43 0.00 -1.24 4.15 -1.61 -3.29 115.11 116.02 1y9j h GLN 144 Ca 0.00 -0.16 -0.10 0.00 0.77 0.00 0.00 58.65 59.16 1y9j h GLN 144 Cb 1.36 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 29.00 1y9j h GLN 144 CO 0.28 0.65 -1.71 2.48 -1.93 0.00 0.00 178.83 178.61 1y9j n TYR 145 N -4.13 0.00 -4.40 3.99 4.11 -1.26 -4.72 117.16 110.75 1y9j n TYR 145 Ca -0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 57.90 57.71 1y9j n TYR 145 Cb 0.39 -0.43 -0.05 0.00 -0.00 0.00 0.00 39.34 39.25 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 -2.18 0.00 0.00 -3.48 -0.00 -1.24 -5.24 117.00 104.87 1y9j n LEU 146 Ca -0.10 -2.08 0.00 0.00 -0.00 0.00 0.00 56.01 53.83 1y9j n LEU 146 Cb 0.59 0.51 0.00 0.00 -0.00 0.00 0.00 43.42 44.52 1y9j n LEU 146 CO 0.27 -0.31 0.00 -3.20 -0.00 0.00 0.00 177.39 174.15