#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 0.36 0.66 0.00 0.02 -2.06 -2.06 113.55 110.46 1y9j h SER 9 Ca 0.00 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 1y9j h SER 9 Cb 0.00 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 62.46 1y9j h SER 9 CO 0.00 0.27 -0.31 0.40 -1.14 0.00 0.00 176.83 176.04 1y9j h ILE 10 N 0.42 0.00 -0.74 3.27 1.08 -2.05 -2.79 117.51 116.70 1y9j h ILE 10 Ca 0.11 -0.19 0.22 0.00 -0.39 0.00 0.00 64.86 64.60 1y9j h ILE 10 Cb -0.03 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 33.69 1y9j h ILE 10 CO -0.02 0.00 0.55 -0.09 -0.69 0.00 0.00 178.15 177.90 1y9j h ARG 11 N -1.07 0.00 -0.07 2.37 9.65 -1.99 -0.24 114.38 123.03 1y9j h ARG 11 Ca -0.09 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.79 1y9j h ARG 11 Cb 0.67 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.25 1y9j h ARG 11 CO 0.15 0.00 0.03 0.93 2.80 0.00 0.00 179.97 183.88 1y9j h GLU 12 N 0.00 0.10 -0.98 0.20 5.08 -1.21 -2.66 114.58 115.11 1y9j h GLU 12 Ca 0.35 -0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.84 1y9j h GLU 12 Cb 1.46 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 30.60 1y9j h GLU 12 CO -0.00 0.18 0.62 0.00 -1.00 0.00 0.00 179.01 178.80 1y9j h ARG 13 N -0.01 0.83 -0.34 2.33 -0.00 -0.77 -1.35 114.38 115.08 1y9j h ARG 13 Ca 0.02 -0.05 0.07 0.00 -0.50 0.00 0.00 59.98 59.52 1y9j h ARG 13 Cb 0.12 -0.19 -0.06 0.00 0.00 0.00 0.00 29.97 29.84 1y9j h ARG 13 CO -0.00 0.55 -0.07 1.96 0.00 0.00 0.00 179.97 182.41 1y9j h GLN 14 N 0.86 0.01 0.00 0.04 1.08 -1.35 0.46 115.11 116.21 1y9j h GLN 14 Ca 0.51 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.69 1y9j h GLN 14 Cb 0.66 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.09 1y9j h GLN 14 CO -0.28 0.01 -0.06 1.15 -0.95 0.00 0.00 178.83 178.70 1y9j h THR 15 N 0.01 0.22 0.95 -0.54 2.02 -1.17 -2.85 112.91 111.56 1y9j h THR 15 Ca 0.16 -0.49 -0.05 0.00 0.77 0.00 0.00 66.41 66.80 1y9j h THR 15 Cb 0.25 1.40 0.01 0.00 -1.74 0.00 0.00 68.15 68.06 1y9j h THR 15 CO -0.34 0.06 -0.45 0.58 0.37 0.00 0.00 175.52 175.74 1y9j h VAL 16 N 0.00 0.07 -0.45 3.16 2.07 -0.38 1.01 116.25 121.73 1y9j h VAL 16 Ca -0.00 -0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1y9j h VAL 16 Cb 0.39 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1y9j h VAL 16 CO 0.01 0.00 0.17 0.00 0.02 0.00 0.00 177.57 177.77 1y9j h ALA 17 N -1.20 1.46 0.19 1.67 0.00 -1.50 -1.55 119.26 118.33 1y9j h ALA 17 Ca -0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1y9j h ALA 17 Cb 0.97 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1y9j h ALA 17 CO 0.21 0.41 -0.09 -0.07 0.00 0.00 0.00 179.25 179.71 1y9j h LEU 18 N 0.64 -0.22 -1.75 0.00 3.38 -1.26 -2.25 115.31 113.84 1y9j h LEU 18 Ca 0.15 0.01 0.34 0.00 0.09 0.00 0.00 57.88 58.47 1y9j h LEU 18 Cb 0.14 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 1y9j h LEU 18 CO -0.01 -0.08 0.83 0.11 0.09 0.00 0.00 178.44 179.37 1y9j h LYS 19 N -0.40 0.12 0.34 1.13 1.57 0.10 1.16 116.57 120.60 1y9j h LYS 19 Ca -0.03 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1y9j h LYS 19 Cb 0.20 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1y9j h LYS 19 CO 0.04 0.08 -0.16 -0.09 -0.57 0.00 0.00 179.45 178.75 1y9j h ARG 20 N 0.13 -0.44 0.00 3.15 2.43 -1.28 -0.38 114.38 117.99 1y9j h ARG 20 Ca 0.62 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.82 1y9j h ARG 20 Cb 2.15 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 31.80 1y9j h ARG 20 CO -0.13 -0.13 0.00 0.00 -1.51 0.00 0.00 179.97 178.19 1y9j n MET 21 N -5.16 0.15 0.00 0.20 0.00 0.02 -0.54 117.12 111.79 1y9j n MET 21 Ca -0.10 0.02 0.10 0.00 0.00 0.00 0.00 57.70 57.72 1y9j n MET 21 Cb 0.27 -1.50 -0.03 0.00 0.00 0.00 0.00 33.22 31.96 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 -1.42 1.77 0.00 3.17 4.77 0.38 -4.66 117.00 121.01 1y9j n LEU 22 Ca 0.09 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 1y9j n LEU 22 Cb 0.29 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1y9j n LEU 22 CO 0.25 0.34 -0.25 0.59 -1.33 0.00 0.00 177.39 176.99 1y9j n ASN 23 N -0.34 1.36 -4.56 -1.43 3.02 -0.16 -4.91 115.26 108.24 1y9j n ASN 23 Ca 0.08 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.22 1y9j n ASN 23 Cb 0.42 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.57 1y9j n ASN 23 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1y9j s PHE 24 N -1.66 2.32 0.11 3.10 -0.12 0.30 -4.99 117.98 117.04 1y9j s PHE 24 Ca 0.00 0.07 -0.28 0.00 -0.05 0.00 0.00 56.93 56.67 1y9j s PHE 24 Cb 0.00 -4.59 -0.06 0.00 -0.63 0.00 0.00 43.02 37.74 1y9j s PHE 24 CO 0.00 -1.99 0.90 0.54 -0.05 0.00 0.00 175.22 174.61 1y9j s ASN 25 N 3.73 7.43 0.66 1.98 4.22 -1.26 -4.70 114.94 127.00 1y9j s ASN 25 Ca 0.38 1.71 -0.14 0.00 -2.14 0.00 0.00 52.86 52.67 1y9j s ASN 25 Cb -0.08 -2.55 -0.00 0.00 1.28 0.00 0.00 41.25 39.89 1y9j s ASN 25 CO 0.17 -0.00 1.08 0.68 -2.04 0.00 0.00 177.10 176.99 1y9j s VAL 26 N -0.21 3.54 -0.43 3.54 -7.23 -1.26 -4.89 120.40 113.47 1y9j s VAL 26 Ca 0.43 0.65 -0.30 0.00 -1.81 0.00 0.00 61.98 60.96 1y9j s VAL 26 Cb -0.23 -3.20 -0.09 0.00 0.56 0.00 0.00 36.38 33.42 1y9j s VAL 26 CO 0.28 -0.51 2.33 -0.81 -0.31 0.00 0.00 175.10 176.08 1y9j n PRO 27 N -2.58 1.18 -4.44 4.82 -0.04 -1.26 -4.94 135.00 127.74 1y9j n PRO 27 Ca 0.09 0.22 -0.28 0.00 -0.04 0.00 0.00 63.50 63.49 1y9j n PRO 27 Cb 0.53 -2.89 -0.08 0.00 -0.04 0.00 0.00 33.50 31.01 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 9.43 2.33 -0.12 0.54 2.46 -1.26 -5.10 115.29 123.57 1y9j s HIS 28 Ca 1.06 -0.72 -0.30 0.00 0.47 0.00 0.00 55.06 55.58 1y9j s HIS 28 Cb -0.54 -1.81 -0.01 0.00 -0.13 0.00 0.00 32.58 30.09 1y9j s HIS 28 CO 0.38 0.24 1.05 0.08 -2.47 0.00 0.00 174.74 174.02 1y9j s VAL 29 N -2.72 4.66 -0.36 0.89 1.01 -1.26 -5.02 120.40 117.61 1y9j s VAL 29 Ca 0.30 1.95 -0.14 0.00 0.00 0.00 0.00 61.98 64.09 1y9j s VAL 29 Cb 0.05 -4.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 1y9j s VAL 29 CO 0.16 -0.03 0.28 -0.54 0.00 0.00 0.00 175.10 174.97 1y9j s LYS 30 N 2.27 3.34 -0.18 2.72 1.02 -1.26 -4.95 119.74 122.70 1y9j s LYS 30 Ca 0.49 -0.73 -0.23 0.00 0.02 0.00 0.00 55.97 55.53 1y9j s LYS 30 Cb -0.19 -3.86 -0.20 0.00 -0.52 0.00 0.00 37.83 33.06 1y9j s LYS 30 CO 0.17 -0.55 0.36 -0.97 -0.92 0.00 0.00 175.35 173.44 1y9j h ASN 31 N 8.54 0.00 -3.81 2.83 -1.24 -2.00 -3.45 115.58 116.45 1y9j h ASN 31 Ca -0.30 -0.63 -0.67 0.00 0.71 0.00 0.00 56.30 55.42 1y9j h ASN 31 Cb 1.14 0.00 -0.37 0.00 0.73 0.00 0.00 38.32 39.82 1y9j h ASN 31 CO 0.67 1.29 -0.76 -0.55 -1.29 0.00 0.00 177.43 176.79 1y9j s SER 32 N -6.59 4.59 0.47 1.15 0.15 -1.26 -5.11 113.70 107.11 1y9j s SER 32 Ca -0.25 -1.55 -0.24 0.00 0.70 0.00 0.00 55.95 54.61 1y9j s SER 32 Cb 0.03 -1.59 -0.08 0.00 -1.71 0.00 0.00 66.02 62.67 1y9j s SER 32 CO 0.59 -0.25 1.38 -2.65 1.20 0.00 0.00 173.24 173.52 1y9j n PRO 33 N 4.42 2.04 -1.29 5.44 -0.02 -1.26 -3.21 135.00 141.11 1y9j n PRO 33 Ca -0.10 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1y9j n PRO 33 Cb 0.42 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 1y9j n PRO 33 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1y9j n GLY 34 N 0.68 0.57 3.19 -1.23 0.00 -1.26 -5.07 105.19 102.07 1y9j n GLY 34 Ca 0.07 -0.82 -0.28 0.00 0.00 0.00 0.00 46.02 44.98 1y9j n GLY 34 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1y9j s GLU 35 N -2.67 2.09 0.38 1.61 2.12 -1.20 -5.11 118.70 115.92 1y9j s GLU 35 Ca 0.00 -0.73 -0.26 0.00 0.36 0.00 0.00 54.97 54.34 1y9j s GLU 35 Cb 0.00 -1.80 -0.11 0.00 0.26 0.00 0.00 34.13 32.48 1y9j s GLU 35 CO 0.00 0.31 1.12 -2.30 -0.54 0.00 0.00 175.26 173.84 1y9j n PRO 36 N 3.05 1.62 -3.08 4.30 -0.02 -1.26 -4.93 135.00 134.68 1y9j n PRO 36 Ca -0.18 0.58 -0.45 0.00 -2.02 0.00 0.00 63.50 61.43 1y9j n PRO 36 Cb 0.53 -2.13 -0.04 0.00 -0.02 0.00 0.00 33.50 31.84 1y9j n PRO 36 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1y9j s VAL 37 N -1.18 4.81 0.83 -1.45 1.01 -1.26 -5.04 120.40 118.12 1y9j s VAL 37 Ca 0.60 -1.08 -0.12 0.00 0.00 0.00 0.00 61.98 61.38 1y9j s VAL 37 Cb -0.58 -4.54 0.10 0.00 0.00 0.00 0.00 36.38 31.36 1y9j s VAL 37 CO 0.59 -1.20 1.18 0.26 0.00 0.00 0.00 175.10 175.93 1y9j s TRP 38 N 2.67 1.79 -0.08 5.22 0.52 -1.26 -4.93 118.94 122.87 1y9j s TRP 38 Ca 0.15 1.71 -0.13 0.00 0.02 0.00 0.00 56.10 57.84 1y9j s TRP 38 Cb -0.21 -3.42 0.03 0.00 -1.15 0.00 0.00 33.47 28.73 1y9j s TRP 38 CO 0.04 -2.77 0.33 0.15 0.02 0.00 0.00 176.95 174.72 1y9j s LYS 39 N -4.33 0.52 0.22 4.98 1.02 -0.39 -4.46 119.74 117.30 1y9j s LYS 39 Ca 0.70 0.17 0.06 0.00 0.02 0.00 0.00 55.97 56.93 1y9j s LYS 39 Cb -0.26 0.24 -0.04 0.00 -0.52 0.00 0.00 37.83 37.25 1y9j s LYS 39 CO 0.53 -0.11 0.16 0.08 -0.92 0.00 0.00 175.35 175.09 1y9j s VAL 40 N -0.50 4.40 -0.02 3.17 1.01 0.88 -0.23 120.40 129.10 1y9j s VAL 40 Ca -0.06 -1.32 -0.04 0.00 0.00 0.00 0.00 61.98 60.56 1y9j s VAL 40 Cb -0.04 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1y9j s VAL 40 CO 0.02 -0.26 0.09 -0.22 0.00 0.00 0.00 175.10 174.73 1y9j s LEU 41 N -3.56 1.68 -0.21 3.92 2.96 -0.47 0.14 118.68 123.14 1y9j s LEU 41 Ca 0.32 0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 54.22 1y9j s LEU 41 Cb -0.09 0.40 0.06 0.00 0.50 0.00 0.00 46.19 47.06 1y9j s LEU 41 CO 0.24 -0.15 0.02 -0.63 -1.32 0.00 0.00 176.35 174.51 1y9j s ILE 42 N -0.50 0.75 0.20 6.68 -1.09 1.08 -2.87 121.20 125.45 1y9j s ILE 42 Ca -0.06 -0.73 0.08 0.00 -2.23 0.00 0.00 60.65 57.71 1y9j s ILE 42 Cb -0.04 -1.22 -0.04 0.00 -1.58 0.00 0.00 42.46 39.58 1y9j s ILE 42 CO 0.00 -0.21 -0.00 -0.72 -1.23 0.00 0.00 174.94 172.79 1y9j s TYR 43 N 1.75 2.81 0.00 3.97 -0.85 -1.14 -0.82 117.35 123.07 1y9j s TYR 43 Ca -0.02 -0.16 0.00 0.00 -0.52 0.00 0.00 57.07 56.37 1y9j s TYR 43 Cb -0.17 -1.33 0.00 0.00 0.38 0.00 0.00 41.96 40.83 1y9j s TYR 43 CO -0.08 0.54 0.00 -3.47 -1.52 0.00 0.00 175.55 171.02 1y9j n ASP 44 N -0.31 1.37 -0.38 -0.18 2.03 -1.24 -3.11 116.55 114.73 1y9j n ASP 44 Ca -0.09 -0.82 -0.05 0.00 0.52 0.00 0.00 54.79 54.35 1y9j n ASP 44 Cb 0.56 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.94 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 -0.26 -0.31 0.08 -0.67 3.00 -1.26 -0.36 116.66 116.88 1y9j n ARG 45 Ca 0.00 1.44 -0.16 0.00 -0.01 0.00 0.00 57.85 59.12 1y9j n ARG 45 Cb 0.00 -2.13 -0.09 0.00 0.00 0.00 0.00 32.46 30.24 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 0.66 -0.85 -1.55 -1.00 -1.95 -2.86 116.94 109.39 1y9j h PHE 46 Ca 0.24 -0.41 0.22 0.00 2.81 0.00 0.00 57.97 60.83 1y9j h PHE 46 Cb 0.48 -0.06 -0.13 0.00 3.61 0.00 0.00 35.95 39.85 1y9j h PHE 46 CO -0.90 1.26 0.22 0.78 -1.61 0.00 0.00 178.31 178.06 1y9j h GLY 47 N 1.14 1.28 2.00 -1.45 0.00 -0.89 0.77 103.07 105.91 1y9j h GLY 47 Ca -0.12 -0.03 -0.17 0.00 0.00 0.00 0.00 47.33 47.00 1y9j h GLY 47 CO 0.19 -0.33 -0.83 0.06 0.00 0.00 0.00 176.54 175.63 1y9j h GLN 48 N 0.23 0.00 0.00 4.80 3.07 -0.97 -0.32 115.11 121.92 1y9j h GLN 48 Ca 0.52 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.26 1y9j h GLN 48 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.57 1y9j h GLN 48 CO -0.63 0.83 0.00 -3.47 0.09 0.00 0.00 178.83 175.65 1y9j n ASP 49 N -3.41 0.14 0.00 0.06 2.03 0.25 -2.54 116.55 113.09 1y9j n ASP 49 Ca 0.00 0.55 0.00 0.00 0.52 0.00 0.00 54.79 55.86 1y9j n ASP 49 Cb 0.84 -0.57 0.00 0.00 -0.72 0.00 0.00 41.12 40.66 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 -1.67 0.00 -0.07 5.18 5.41 -0.31 -4.63 119.36 123.27 1y9j n ILE 50 Ca 0.01 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.65 1y9j n ILE 50 Cb 0.10 -0.46 -0.05 0.00 -0.71 0.00 0.00 39.64 38.52 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 1.24 0.34 1.39 2.10 -1.08 -3.18 117.51 118.32 1y9j h ILE 51 Ca 0.00 -0.81 -0.02 0.00 1.08 0.00 0.00 64.86 65.11 1y9j h ILE 51 Cb 0.79 1.36 0.00 0.00 -1.09 0.00 0.00 36.82 37.88 1y9j h ILE 51 CO 0.00 0.25 -0.17 -1.28 -1.08 0.00 0.00 178.15 175.88 1y9j h SER 52 N 0.15 -0.39 -0.75 2.19 0.87 -1.60 0.35 113.55 114.37 1y9j h SER 52 Ca 0.06 -0.07 0.22 0.00 -1.23 0.00 0.00 61.79 60.76 1y9j h SER 52 Cb 0.36 0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.39 1y9j h SER 52 CO 0.01 -0.16 0.80 -0.65 -0.53 0.00 0.00 176.83 176.30 1y9j h PRO 53 N -0.61 0.00 0.00 2.24 0.11 -1.75 0.60 132.00 132.59 1y9j h PRO 53 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1y9j h PRO 53 Cb 0.44 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.55 1y9j h PRO 53 CO 0.08 0.00 -0.04 1.28 -0.21 0.00 0.00 178.00 179.11 1y9j n LEU 54 N -3.55 2.04 -3.54 2.35 4.77 -1.06 -5.05 117.00 112.96 1y9j n LEU 54 Ca 0.16 -2.61 -0.08 0.00 -0.03 0.00 0.00 56.01 53.45 1y9j n LEU 54 Cb 1.06 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 41.83 1y9j n LEU 54 CO 0.27 0.61 0.79 -0.22 -1.33 0.00 0.00 177.39 177.51 1y9j s LEU 55 N -2.16 -0.31 0.37 2.23 0.20 0.21 -5.02 118.68 114.20 1y9j s LEU 55 Ca 0.21 0.07 0.04 0.00 0.69 0.00 0.00 54.13 55.14 1y9j s LEU 55 Cb 0.19 1.83 -0.03 0.00 -0.43 0.00 0.00 46.19 47.74 1y9j s LEU 55 CO 0.02 -0.47 0.12 -0.55 -0.29 0.00 0.00 176.35 175.18 1y9j s SER 56 N -2.14 2.49 0.07 3.68 0.15 -1.26 -3.89 113.70 112.80 1y9j s SER 56 Ca 0.05 -1.59 -0.22 0.00 0.70 0.00 0.00 55.95 54.88 1y9j s SER 56 Cb -0.01 0.37 -0.13 0.00 -1.71 0.00 0.00 66.02 64.54 1y9j s SER 56 CO -0.06 -0.86 1.59 0.58 1.20 0.00 0.00 173.24 175.69 1y9j h VAL 57 N 1.93 1.16 -0.06 4.45 2.07 -1.98 0.11 116.25 123.92 1y9j h VAL 57 Ca -0.36 -0.48 -0.11 0.00 0.82 0.00 0.00 66.70 66.57 1y9j h VAL 57 Cb 1.26 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 1y9j h VAL 57 CO 0.59 0.14 -0.47 0.11 0.02 0.00 0.00 177.57 177.96 1y9j h LYS 58 N -0.03 0.14 0.00 1.57 1.57 -2.00 -2.46 116.57 115.36 1y9j h LYS 58 Ca 0.03 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 1y9j h LYS 58 Cb 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1y9j h LYS 58 CO -0.00 0.58 -0.36 0.93 -0.57 0.00 0.00 179.45 180.03 1y9j h GLU 59 N 0.11 0.00 0.04 3.15 4.39 -1.93 -1.97 114.58 118.37 1y9j h GLU 59 Ca 0.01 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1y9j h GLU 59 Cb 0.87 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 1y9j h GLU 59 CO 0.07 0.36 -0.02 -0.07 -1.16 0.00 0.00 179.01 178.18 1y9j h LEU 60 N 0.00 -0.05 -0.30 1.33 3.38 -0.30 -2.20 115.31 117.17 1y9j h LEU 60 Ca -0.00 -0.20 -0.18 0.00 0.09 0.00 0.00 57.88 57.59 1y9j h LEU 60 Cb 1.13 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1y9j h LEU 60 CO 0.05 0.18 -0.50 0.03 0.09 0.00 0.00 178.44 178.28 1y9j h ARG 61 N -0.27 0.86 0.00 1.13 2.47 -1.53 -2.56 114.38 114.48 1y9j h ARG 61 Ca -0.01 -0.53 0.00 0.00 -1.26 0.00 0.00 59.98 58.18 1y9j h ARG 61 Cb 0.25 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.62 1y9j h ARG 61 CO 0.01 1.17 0.07 -0.44 0.56 0.00 0.00 179.97 181.33 1y9j h ASP 62 N 0.65 0.00 0.70 7.04 3.32 -1.30 0.62 116.42 127.44 1y9j h ASP 62 Ca 0.02 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1y9j h ASP 62 Cb 1.11 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.65 1y9j h ASP 62 CO 0.11 0.00 -1.31 1.15 -1.72 0.00 0.00 179.24 177.48 1y9j n MET 63 N -2.95 0.62 0.00 3.56 0.00 -0.84 -4.96 117.12 112.55 1y9j n MET 63 Ca -0.03 0.03 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1y9j n MET 63 Cb 0.13 -1.74 0.00 0.00 0.00 0.00 0.00 33.22 31.61 1y9j n MET 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1y9j n GLY 64 N 1.21 0.97 3.47 3.17 0.00 0.21 -5.00 105.19 109.22 1y9j n GLY 64 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.60 4.32 -0.69 -0.61 2.07 -0.98 -1.26 121.20 122.45 1y9j s ILE 65 Ca 0.00 -0.18 0.25 0.00 -1.41 0.00 0.00 60.65 59.32 1y9j s ILE 65 Cb 0.00 -3.00 0.16 0.00 0.13 0.00 0.00 42.46 39.75 1y9j s ILE 65 CO 0.00 0.37 1.53 1.07 -1.91 0.00 0.00 174.94 176.00 1y9j n THR 66 N 4.63 0.46 -3.65 4.00 5.66 0.68 -4.46 114.28 121.60 1y9j n THR 66 Ca -0.16 -0.27 -0.03 0.00 -3.05 0.00 0.00 64.05 60.54 1y9j n THR 66 Cb 0.52 -0.33 -0.07 0.00 -1.55 0.00 0.00 70.33 68.90 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 -4.34 -0.10 -0.12 1.09 1.98 -1.25 -5.01 118.68 110.93 1y9j s LEU 67 Ca 0.08 0.18 -0.04 0.00 -2.89 0.00 0.00 54.13 51.47 1y9j s LEU 67 Cb 0.13 1.18 0.06 0.00 0.66 0.00 0.00 46.19 48.22 1y9j s LEU 67 CO 0.66 -0.03 0.15 -1.38 -1.89 0.00 0.00 176.35 173.87 1y9j s HIS 68 N 0.22 -0.11 0.22 5.38 -3.43 -1.26 -1.37 115.29 114.94 1y9j s HIS 68 Ca 0.05 0.31 -0.05 0.00 -0.80 0.00 0.00 55.06 54.56 1y9j s HIS 68 Cb -0.05 -0.39 -0.03 0.00 -1.43 0.00 0.00 32.58 30.69 1y9j s HIS 68 CO -0.14 -0.39 0.27 -0.48 -2.00 0.00 0.00 174.74 172.00 1y9j s LEU 69 N 2.26 0.84 -0.05 5.38 -0.00 -1.14 -5.03 118.68 120.94 1y9j s LEU 69 Ca 0.04 -1.22 -0.22 0.00 -0.00 0.00 0.00 54.13 52.73 1y9j s LEU 69 Cb -0.14 0.94 -0.04 0.00 -0.00 0.00 0.00 46.19 46.95 1y9j s LEU 69 CO -0.08 -0.97 0.65 -0.76 -0.00 0.00 0.00 176.35 175.20 1y9j s LEU 70 N -3.11 4.34 0.59 1.48 1.43 -1.26 -2.87 118.68 119.29 1y9j s LEU 70 Ca 0.32 1.15 0.29 0.00 -1.03 0.00 0.00 54.13 54.86 1y9j s LEU 70 Cb 0.04 -3.00 1.47 0.00 0.03 0.00 0.00 46.19 44.73 1y9j s LEU 70 CO 0.11 -0.05 1.89 -0.07 0.23 0.00 0.00 176.35 178.46 1y9j h LEU 71 N 6.46 0.00 -3.13 1.79 4.07 -1.90 0.50 115.31 123.10 1y9j h LEU 71 Ca -0.42 0.00 -0.27 0.00 0.08 0.00 0.00 57.88 57.27 1y9j h LEU 71 Cb 1.20 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 42.80 1y9j h LEU 71 CO 0.74 0.00 0.34 1.57 -1.08 0.00 0.00 178.44 180.01 1y9j n HIS 72 N -3.67 1.45 -4.16 1.13 -0.00 -1.26 -4.85 115.22 103.86 1y9j n HIS 72 Ca 0.08 -1.44 -0.12 0.00 0.46 0.00 0.00 57.72 56.70 1y9j n HIS 72 Cb 0.67 -0.72 -0.08 0.00 -0.12 0.00 0.00 29.99 29.74 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 0.06 0.29 -0.64 0.26 0.01 0.18 -5.10 113.70 108.76 1y9j s SER 73 Ca 0.28 -1.33 -0.27 0.00 1.31 0.00 0.00 55.95 55.93 1y9j s SER 73 Cb 0.23 0.46 0.01 0.00 0.21 0.00 0.00 66.02 66.93 1y9j s SER 73 CO 0.03 -0.95 1.48 -1.81 0.41 0.00 0.00 173.24 172.39 1y9j s ASP 74 N -3.16 5.92 0.74 2.44 1.11 -1.26 -4.92 116.67 117.55 1y9j s ASP 74 Ca 0.35 0.03 -0.11 0.00 0.18 0.00 0.00 52.55 53.00 1y9j s ASP 74 Cb 0.04 -2.55 0.04 0.00 1.07 0.00 0.00 42.92 41.52 1y9j s ASP 74 CO 0.13 -1.93 1.08 -0.13 1.18 0.00 0.00 175.17 175.50 1y9j s ARG 75 N 5.98 2.54 0.19 8.23 0.52 -1.26 -5.05 118.95 130.10 1y9j s ARG 75 Ca 0.50 0.91 0.08 0.00 -0.52 0.00 0.00 55.73 56.69 1y9j s ARG 75 Cb -0.10 -1.95 -0.04 0.00 0.52 0.00 0.00 34.95 33.38 1y9j s ARG 75 CO 0.20 -1.37 0.01 -0.51 0.02 0.00 0.00 175.30 173.65 1y9j s ASP 76 N -3.73 4.76 -0.46 0.23 1.01 -1.26 -5.09 116.67 112.12 1y9j s ASP 76 Ca 0.59 -0.44 -0.26 0.00 0.71 0.00 0.00 52.55 53.16 1y9j s ASP 76 Cb -0.15 -1.00 0.03 0.00 1.01 0.00 0.00 42.92 42.81 1y9j s ASP 76 CO 0.55 0.07 0.93 -2.16 0.21 0.00 0.00 175.17 174.77 1y9j s PRO 77 N -3.12 3.53 -0.33 8.23 0.04 -1.26 -4.81 135.00 137.29 1y9j s PRO 77 Ca 0.28 0.17 0.16 0.00 0.04 0.00 0.00 61.00 61.65 1y9j s PRO 77 Cb -0.09 -3.93 0.46 0.00 0.04 0.00 0.00 34.50 30.99 1y9j s PRO 77 CO 0.19 -1.23 1.01 -0.89 0.04 0.00 0.00 177.00 176.12 1y9j n ILE 78 N 6.44 1.33 0.27 0.56 -0.00 0.53 -4.91 119.36 123.58 1y9j n ILE 78 Ca 0.06 -3.41 0.17 0.00 -0.00 0.00 0.00 62.75 59.57 1y9j n ILE 78 Cb 0.49 0.35 0.80 0.00 -0.00 0.00 0.00 39.64 41.28 1y9j n ILE 78 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.55 176.63 1y9j h ARG 79 N 2.84 0.00 -0.82 0.38 -0.00 -1.29 0.82 114.38 116.32 1y9j h ARG 79 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.96 1y9j h ARG 79 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.13 1y9j h ARG 79 CO 0.53 0.00 0.00 -3.47 -0.00 0.00 0.00 179.97 177.03 1y9j n ASP 80 N -3.13 3.02 -3.71 0.08 2.03 -1.26 -3.00 116.55 110.58 1y9j n ASP 80 Ca 0.01 -2.40 -0.12 0.00 0.52 0.00 0.00 54.79 52.80 1y9j n ASP 80 Cb 0.44 -0.58 -0.12 0.00 -0.72 0.00 0.00 41.12 40.14 1y9j n ASP 80 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1y9j s VAL 81 N -1.76 -0.09 0.49 5.18 1.01 0.28 -5.00 120.40 120.51 1y9j s VAL 81 Ca 0.23 0.14 -0.22 0.00 0.00 0.00 0.00 61.98 62.13 1y9j s VAL 81 Cb 0.18 -0.48 -0.08 0.00 0.00 0.00 0.00 36.38 36.00 1y9j s VAL 81 CO 0.07 0.06 1.03 -0.81 0.00 0.00 0.00 175.10 175.45 1y9j n PRO 82 N 4.39 1.28 -4.36 2.72 -0.04 -1.26 -2.72 135.00 135.01 1y9j n PRO 82 Ca -0.22 0.47 -0.19 0.00 -0.04 0.00 0.00 63.50 63.52 1y9j n PRO 82 Cb 0.53 -2.14 -0.10 0.00 -0.04 0.00 0.00 33.50 31.76 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 -1.35 2.04 -0.03 0.55 0.00 0.41 -0.09 121.76 123.28 1y9j s ALA 83 Ca 0.67 -1.71 0.03 0.00 0.00 0.00 0.00 51.96 50.95 1y9j s ALA 83 Cb -0.50 0.03 0.00 0.00 0.00 0.00 0.00 23.12 22.66 1y9j s ALA 83 CO 0.54 -0.00 -0.11 0.08 0.00 0.00 0.00 175.76 176.27 1y9j s VAL 84 N -3.04 0.94 -0.63 0.00 1.01 0.36 -0.16 120.40 118.88 1y9j s VAL 84 Ca 0.24 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 61.84 1y9j s VAL 84 Cb 0.01 -0.83 0.17 0.00 0.00 0.00 0.00 36.38 35.73 1y9j s VAL 84 CO 0.08 0.29 0.46 -1.22 0.00 0.00 0.00 175.10 174.71 1y9j n TYR 85 N 3.34 2.15 -2.98 5.22 4.02 0.34 0.35 117.16 129.60 1y9j n TYR 85 Ca -0.19 -4.04 -0.44 0.00 -0.01 0.00 0.00 57.90 53.21 1y9j n TYR 85 Cb 0.54 -0.39 -0.03 0.00 -0.02 0.00 0.00 39.34 39.44 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 -1.09 3.18 0.34 -0.72 5.36 0.00 -0.77 117.98 124.28 1y9j s PHE 86 Ca 0.27 -1.43 0.04 0.00 -0.96 0.00 0.00 56.93 54.86 1y9j s PHE 86 Cb -0.02 -4.22 -0.03 0.00 -0.34 0.00 0.00 43.02 38.41 1y9j s PHE 86 CO -0.18 -1.43 0.16 0.14 -1.46 0.00 0.00 175.22 172.46 1y9j s VAL 87 N 2.42 0.41 0.53 3.12 -7.23 0.79 -3.69 120.40 116.74 1y9j s VAL 87 Ca 0.30 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 58.26 1y9j s VAL 87 Cb -0.06 -2.47 -0.06 0.00 0.56 0.00 0.00 36.38 34.35 1y9j s VAL 87 CO -0.08 0.00 1.19 -0.04 -0.31 0.00 0.00 175.10 175.86 1y9j s MET 88 N -3.73 3.34 -0.43 4.82 -1.94 -1.26 -2.81 119.30 117.28 1y9j s MET 88 Ca 0.32 1.80 -0.02 0.00 -1.71 0.00 0.00 55.69 56.09 1y9j s MET 88 Cb 0.04 -2.14 0.21 0.00 2.01 0.00 0.00 34.83 34.95 1y9j s MET 88 CO 0.18 -0.91 2.25 -0.35 -0.01 0.00 0.00 175.02 176.18 1y9j n PRO 89 N -1.10 2.15 -3.48 2.03 -0.04 -1.26 -4.62 135.00 128.67 1y9j n PRO 89 Ca 0.11 -2.12 -0.25 0.00 -0.04 0.00 0.00 63.50 61.20 1y9j n PRO 89 Cb 0.49 -1.90 -0.02 0.00 -0.04 0.00 0.00 33.50 32.04 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 -2.75 5.13 0.21 0.52 -4.23 -1.26 -4.77 115.64 108.49 1y9j s THR 90 Ca 0.45 -0.45 -0.18 0.00 -1.18 0.00 0.00 61.69 60.34 1y9j s THR 90 Cb 0.33 -3.83 0.20 0.00 1.34 0.00 0.00 72.50 70.55 1y9j s THR 90 CO -0.09 -0.45 1.58 -0.33 -0.54 0.00 0.00 174.62 174.79 1y9j h GLU 91 N 1.09 -0.08 -0.60 3.99 5.08 -2.00 0.27 114.58 122.34 1y9j h GLU 91 Ca -0.49 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 57.93 1y9j h GLU 91 Cb 1.21 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.43 1y9j h GLU 91 CO 0.63 -0.05 0.30 0.93 -1.00 0.00 0.00 179.01 179.82 1y9j h GLU 92 N -0.08 0.55 -0.73 2.33 5.08 -1.96 -1.32 114.58 118.45 1y9j h GLU 92 Ca 0.30 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1y9j h GLU 92 Cb 0.58 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 1y9j h GLU 92 CO -0.82 0.36 0.46 -0.91 -1.00 0.00 0.00 179.01 177.11 1y9j h ASN 93 N 0.56 0.86 -0.90 1.42 4.21 -0.87 -1.83 115.58 119.04 1y9j h ASN 93 Ca 0.27 -0.04 0.04 0.00 1.21 0.00 0.00 56.30 57.79 1y9j h ASN 93 Cb 0.20 -0.22 -0.05 0.00 -1.12 0.00 0.00 38.32 37.13 1y9j h ASN 93 CO -0.19 0.65 0.59 0.40 -1.29 0.00 0.00 177.43 177.58 1y9j h ILE 94 N 1.00 1.13 0.00 2.81 1.08 0.36 0.69 117.51 124.58 1y9j h ILE 94 Ca 0.27 -0.38 -0.04 0.00 -0.39 0.00 0.00 64.86 64.32 1y9j h ILE 94 Cb -0.07 -0.06 -0.01 0.00 -3.07 0.00 0.00 36.82 33.61 1y9j h ILE 94 CO -0.05 0.20 -0.18 0.44 -0.69 0.00 0.00 178.15 177.86 1y9j h ASP 95 N 1.09 0.00 0.72 1.72 3.32 -1.03 -2.62 116.42 119.62 1y9j h ASP 95 Ca 0.36 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.29 1y9j h ASP 95 Cb 0.06 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1y9j h ASP 95 CO -0.12 0.18 -0.60 0.03 -1.72 0.00 0.00 179.24 177.02 1y9j h ARG 96 N 0.00 0.00 -0.09 3.56 3.08 -0.51 -1.55 114.38 118.87 1y9j h ARG 96 Ca -0.00 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.81 1y9j h ARG 96 Cb 0.68 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.74 1y9j h ARG 96 CO 0.02 0.60 -0.87 -0.07 -1.07 0.00 0.00 179.97 178.58 1y9j h LEU 97 N 0.00 0.87 -0.98 3.04 -0.00 -1.06 -2.07 115.31 115.11 1y9j h LEU 97 Ca -0.01 -0.62 -0.08 0.00 -0.00 0.00 0.00 57.88 57.18 1y9j h LEU 97 Cb 1.12 -0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 41.50 1y9j h LEU 97 CO 0.08 1.41 -0.36 0.00 -0.00 0.00 0.00 178.44 179.57 1y9j h GLN 99 N 0.00 0.31 0.00 0.00 5.75 -1.20 -2.66 115.11 117.32 1y9j h GLN 99 Ca -0.00 -0.34 -0.13 0.00 -0.15 0.00 0.00 58.65 58.03 1y9j h GLN 99 Cb 0.87 0.10 -0.02 0.00 1.07 0.00 0.00 27.48 29.50 1y9j h GLN 99 CO 0.05 1.03 -0.63 0.38 -2.65 0.00 0.00 178.83 177.01 1y9j h ASP 100 N -0.27 0.00 1.11 -0.69 3.04 -1.33 -2.67 116.42 115.62 1y9j h ASP 100 Ca -0.06 0.00 -0.09 0.00 -3.24 0.00 0.00 57.03 53.64 1y9j h ASP 100 Cb 1.19 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.47 1y9j h ASP 100 CO 0.09 0.63 -0.42 -0.07 -2.04 0.00 0.00 179.24 177.43 1y9j h LEU 101 N 0.00 0.00 0.02 0.15 3.38 -0.56 -2.66 115.31 115.64 1y9j h LEU 101 Ca -0.01 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 1y9j h LEU 101 Cb 1.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.16 1y9j h LEU 101 CO 0.08 0.42 -0.86 0.03 0.09 0.00 0.00 178.44 178.20 1y9j h ARG 102 N 0.00 0.04 0.00 1.13 2.47 -1.47 -3.35 114.38 113.20 1y9j h ARG 102 Ca -0.00 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 58.65 1y9j h ARG 102 Cb 1.09 0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 29.43 1y9j h ARG 102 CO 0.05 1.03 -0.00 -2.95 0.56 0.00 0.00 179.97 178.67 1y9j h ASN 103 N -0.88 0.00 -5.91 7.04 7.08 -1.57 -3.47 115.58 117.87 1y9j h ASN 103 Ca -0.22 0.00 -0.39 0.00 -3.08 0.00 0.00 56.30 52.61 1y9j h ASN 103 Cb 1.28 0.00 0.10 0.00 -2.08 0.00 0.00 38.32 37.62 1y9j h ASN 103 CO -0.09 0.00 -0.79 0.00 -2.08 0.00 0.00 177.43 174.47 1y9j n GLN 104 N -3.09 -5.95 0.27 4.14 6.02 -1.00 -4.87 117.38 112.90 1y9j n GLN 104 Ca -0.01 0.73 0.15 0.00 -0.01 0.00 0.00 57.00 57.86 1y9j n GLN 104 Cb 0.19 -5.55 0.74 0.00 1.02 0.00 0.00 30.24 26.64 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 -1.98 0.00 -8.74 1.08 3.38 -1.89 -3.39 115.31 103.77 1y9j h LEU 105 Ca -0.60 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.05 1y9j h LEU 105 Cb 1.35 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.96 1y9j h LEU 105 CO 0.55 0.09 -0.58 -0.31 0.09 0.00 0.00 178.44 178.28 1y9j s TYR 106 N -3.95 1.39 -0.15 1.13 1.51 -1.26 0.20 117.35 116.22 1y9j s TYR 106 Ca -0.01 -1.42 -0.25 0.00 -1.01 0.00 0.00 57.07 54.37 1y9j s TYR 106 Cb 0.11 -0.67 -0.24 0.00 -0.11 0.00 0.00 41.96 41.05 1y9j s TYR 106 CO 0.56 -0.65 0.58 1.49 -1.11 0.00 0.00 175.55 176.42 1y9j h GLU 107 N 2.44 0.05 -6.41 -0.62 4.81 -1.41 -3.43 114.58 110.00 1y9j h GLU 107 Ca -0.33 -0.08 -0.68 0.00 -0.13 0.00 0.00 59.36 58.14 1y9j h GLU 107 Cb 1.25 0.03 -0.30 0.00 0.63 0.00 0.00 28.75 30.35 1y9j h GLU 107 CO 0.50 1.04 -0.88 -1.12 -0.73 0.00 0.00 179.01 177.82 1y9j s SER 108 N -6.56 2.91 -0.82 1.04 0.01 -1.26 -4.11 113.70 104.91 1y9j s SER 108 Ca -0.22 -0.45 0.01 0.00 1.31 0.00 0.00 55.95 56.60 1y9j s SER 108 Cb 0.01 -0.38 0.23 0.00 0.21 0.00 0.00 66.02 66.09 1y9j s SER 108 CO 0.68 0.30 0.79 -1.22 0.41 0.00 0.00 173.24 174.19 1y9j n TYR 109 N 2.52 3.68 -1.70 2.43 4.02 -1.11 0.15 117.16 127.16 1y9j n TYR 109 Ca -0.16 -4.02 -0.17 0.00 -0.01 0.00 0.00 57.90 53.54 1y9j n TYR 109 Cb 0.51 -0.90 -0.08 0.00 -0.02 0.00 0.00 39.34 38.85 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 -1.82 1.34 0.52 -0.72 6.14 0.78 -2.80 117.35 120.80 1y9j s TYR 110 Ca 0.30 1.75 -0.19 0.00 0.64 0.00 0.00 57.07 59.57 1y9j s TYR 110 Cb 0.00 -3.54 -0.07 0.00 0.42 0.00 0.00 41.96 38.77 1y9j s TYR 110 CO -0.09 -1.27 1.08 -0.51 0.64 0.00 0.00 175.55 175.41 1y9j s LEU 111 N 14.49 3.76 -0.28 6.97 1.43 0.33 0.13 118.68 145.51 1y9j s LEU 111 Ca 0.83 2.02 -0.02 0.00 -1.03 0.00 0.00 54.13 55.93 1y9j s LEU 111 Cb -0.08 -4.57 0.17 0.00 0.03 0.00 0.00 46.19 41.74 1y9j s LEU 111 CO 0.10 -1.02 0.53 0.21 0.23 0.00 0.00 176.35 176.40 1y9j s ASN 112 N -1.99 -0.84 -0.11 2.29 3.84 0.05 0.12 114.94 118.29 1y9j s ASN 112 Ca 0.69 0.73 -0.18 0.00 0.21 0.00 0.00 52.86 54.31 1y9j s ASN 112 Cb -0.19 1.83 -0.04 0.00 -0.55 0.00 0.00 41.25 42.29 1y9j s ASN 112 CO 0.25 -0.27 0.48 -0.36 -2.79 0.00 0.00 177.10 174.41 1y9j s PHE 113 N 2.76 3.52 0.25 0.43 0.08 -1.24 -0.15 117.98 123.63 1y9j s PHE 113 Ca 0.16 0.90 -0.00 0.00 0.12 0.00 0.00 56.93 58.11 1y9j s PHE 113 Cb -0.15 -2.55 0.32 0.00 -0.57 0.00 0.00 43.02 40.08 1y9j s PHE 113 CO -0.19 0.18 1.68 0.82 -0.10 0.00 0.00 175.22 177.61 1y9j h ILE 114 N 4.69 1.27 -5.30 0.64 1.08 -1.86 -3.36 117.51 114.66 1y9j h ILE 114 Ca -0.41 -1.31 -0.54 0.00 -0.39 0.00 0.00 64.86 62.20 1y9j h ILE 114 Cb 1.18 1.32 -0.07 0.00 -3.07 0.00 0.00 36.82 36.17 1y9j h ILE 114 CO 0.75 0.42 -0.33 -0.24 -0.69 0.00 0.00 178.15 178.07 1y9j n SER 115 N -4.11 2.88 -4.58 1.72 2.88 -1.26 -0.96 113.62 110.18 1y9j n SER 115 Ca -0.00 -2.81 -0.43 0.00 -1.33 0.00 0.00 58.87 54.30 1y9j n SER 115 Cb 0.42 0.13 -0.03 0.00 -0.75 0.00 0.00 64.21 63.98 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 -2.73 3.20 0.54 -1.46 0.00 -1.26 -4.73 121.76 115.31 1y9j s ALA 116 Ca 0.14 -0.64 -0.17 0.00 0.00 0.00 0.00 51.96 51.30 1y9j s ALA 116 Cb -0.01 -3.76 -0.07 0.00 0.00 0.00 0.00 23.12 19.29 1y9j s ALA 116 CO 0.09 -2.14 1.01 -1.50 0.00 0.00 0.00 175.76 173.22 1y9j s ILE 117 N 4.07 4.23 0.23 0.00 2.07 -1.26 -5.02 121.20 125.52 1y9j s ILE 117 Ca 0.42 1.10 -0.23 0.00 -1.41 0.00 0.00 60.65 60.53 1y9j s ILE 117 Cb -0.09 -3.58 -0.09 0.00 0.13 0.00 0.00 42.46 38.83 1y9j s ILE 117 CO 0.29 -0.58 0.80 -0.44 -1.91 0.00 0.00 174.94 173.09 1y9j s SER 118 N -2.87 7.23 0.48 4.50 0.01 -1.26 -4.89 113.70 116.91 1y9j s SER 118 Ca 0.61 1.60 0.31 0.00 1.31 0.00 0.00 55.95 59.78 1y9j s SER 118 Cb -0.12 -2.49 1.41 0.00 0.21 0.00 0.00 66.02 65.03 1y9j s SER 118 CO 0.32 0.06 1.74 -0.09 0.41 0.00 0.00 173.24 175.68 1y9j h ARG 119 N 3.62 0.13 0.02 12.44 2.43 -2.00 0.58 114.38 131.60 1y9j h ARG 119 Ca -0.47 -0.01 -0.27 0.00 -0.81 0.00 0.00 59.98 58.42 1y9j h ARG 119 Cb 1.20 -0.03 0.02 0.00 -0.42 0.00 0.00 29.97 30.74 1y9j h ARG 119 CO 0.65 0.09 -1.08 0.77 -1.51 0.00 0.00 179.97 178.89 1y9j h SER 120 N 0.14 0.90 -0.42 -3.80 0.02 -2.00 -3.07 113.55 105.31 1y9j h SER 120 Ca 0.65 -0.74 -0.04 0.00 -0.84 0.00 0.00 61.79 60.82 1y9j h SER 120 Cb 2.21 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 64.46 1y9j h SER 120 CO -0.16 1.54 0.12 0.11 -1.14 0.00 0.00 176.83 177.29 1y9j h LYS 121 N 0.37 0.66 -0.44 3.45 1.57 -0.31 -2.93 116.57 118.94 1y9j h LYS 121 Ca -0.14 -0.15 0.03 0.00 -1.87 0.00 0.00 60.65 58.52 1y9j h LYS 121 Cb 1.73 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.92 1y9j h LYS 121 CO 0.21 0.66 0.24 -0.07 -0.57 0.00 0.00 179.45 179.92 1y9j h LEU 122 N 0.54 0.36 -1.36 2.94 4.07 -1.10 -1.49 115.31 119.27 1y9j h LEU 122 Ca 0.13 0.01 0.16 0.00 0.08 0.00 0.00 57.88 58.27 1y9j h LEU 122 Cb 0.29 -0.06 -0.07 0.00 1.08 0.00 0.00 40.66 41.90 1y9j h LEU 122 CO -0.00 0.26 0.57 -0.33 -1.08 0.00 0.00 178.44 177.86 1y9j h GLU 123 N 0.48 0.57 0.43 1.13 5.08 -1.43 0.11 114.58 120.96 1y9j h GLU 123 Ca 0.18 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 1y9j h GLU 123 Cb 0.06 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1y9j h GLU 123 CO -0.11 0.38 -0.21 -0.44 -1.00 0.00 0.00 179.01 177.63 1y9j h ASP 124 N 0.59 -0.49 -0.62 1.42 3.32 -1.10 0.81 116.42 120.35 1y9j h ASP 124 Ca 0.45 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.48 1y9j h ASP 124 Cb 0.86 0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.51 1y9j h ASP 124 CO -0.20 -0.32 0.33 0.40 -1.72 0.00 0.00 179.24 177.73 1y9j h ILE 125 N -0.62 1.20 -0.75 0.35 5.03 -1.07 1.01 117.51 122.66 1y9j h ILE 125 Ca -0.06 -0.53 0.06 0.00 -0.12 0.00 0.00 64.86 64.20 1y9j h ILE 125 Cb 0.47 0.42 -0.06 0.00 -3.03 0.00 0.00 36.82 34.63 1y9j h ILE 125 CO 0.10 0.23 0.44 0.00 -0.68 0.00 0.00 178.15 178.24 1y9j h ALA 126 N 1.15 1.01 0.00 1.87 0.00 -0.67 -0.98 119.26 121.65 1y9j h ALA 126 Ca 0.22 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.96 1y9j h ALA 126 Cb 0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1y9j h ALA 126 CO -0.03 0.16 -0.81 -0.91 0.00 0.00 0.00 179.25 177.66 1y9j h ASN 127 N 0.82 0.00 -1.00 0.00 2.35 -0.30 -3.01 115.58 114.45 1y9j h ASN 127 Ca 0.33 0.00 0.26 0.00 -0.55 0.00 0.00 56.30 56.34 1y9j h ASN 127 Cb 0.16 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.47 1y9j h ASN 127 CO -0.17 0.81 0.68 0.00 -1.65 0.00 0.00 177.43 177.10 1y9j h ALA 128 N 1.19 2.57 0.16 -0.83 0.00 0.25 0.55 119.26 123.14 1y9j h ALA 128 Ca -0.01 0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.56 1y9j h ALA 128 Cb 1.48 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1y9j h ALA 128 CO 0.11 -0.89 -1.81 0.00 0.00 0.00 0.00 179.25 176.66 1y9j h ALA 129 N 1.56 0.25 -0.61 0.00 0.00 -1.45 -3.34 119.26 115.67 1y9j h ALA 129 Ca 0.51 -1.22 0.18 0.00 0.00 0.00 0.00 54.91 54.38 1y9j h ALA 129 Cb 1.63 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 19.91 1y9j h ALA 129 CO -0.13 1.12 0.58 -0.07 0.00 0.00 0.00 179.25 180.75 1y9j h LEU 130 N 0.09 0.00 -0.71 0.00 3.38 -0.78 1.86 115.31 119.15 1y9j h LEU 130 Ca -0.36 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.48 1y9j h LEU 130 Cb 2.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.81 1y9j h LEU 130 CO 0.15 0.00 -0.64 0.00 0.09 0.00 0.00 178.44 178.05 1y9j h ALA 131 N 1.41 0.93 -0.14 1.53 0.00 -1.51 -3.19 119.26 118.30 1y9j h ALA 131 Ca 0.29 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1y9j h ALA 131 Cb 1.45 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1y9j h ALA 131 CO -0.00 0.79 0.00 0.00 0.00 0.00 0.00 179.25 180.04 1y9j n ALA 132 N -2.41 2.10 -2.87 0.00 0.00 0.30 -4.98 120.51 112.65 1y9j n ALA 132 Ca -0.01 -1.03 -0.13 0.00 0.00 0.00 0.00 53.44 52.27 1y9j n ALA 132 Cb 0.64 -0.18 -0.01 0.00 0.00 0.00 0.00 19.45 19.89 1y9j n ALA 132 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1y9j n ASN 133 N -0.05 -2.68 -4.71 0.00 6.94 0.55 -4.88 115.26 110.43 1y9j n ASN 133 Ca 0.05 0.03 -0.40 0.00 -0.02 0.00 0.00 54.58 54.24 1y9j n ASN 133 Cb 0.31 -2.31 -0.04 0.00 -2.36 0.00 0.00 39.78 35.37 1y9j n ASN 133 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1y9j s ALA 134 N -2.53 3.34 0.21 -2.53 0.00 -1.02 -4.99 121.76 114.23 1y9j s ALA 134 Ca 0.17 0.17 -0.32 0.00 0.00 0.00 0.00 51.96 51.97 1y9j s ALA 134 Cb -0.09 -3.04 -0.12 0.00 0.00 0.00 0.00 23.12 19.86 1y9j s ALA 134 CO 0.21 -0.20 1.69 0.28 0.00 0.00 0.00 175.76 177.73 1y9j n VAL 135 N 3.94 0.11 -4.07 0.00 0.31 -1.26 -4.73 118.33 112.63 1y9j n VAL 135 Ca 0.00 -0.03 -0.10 0.00 -0.01 0.00 0.00 64.34 64.21 1y9j n VAL 135 Cb 0.51 -1.91 -0.11 0.00 -0.91 0.00 0.00 33.84 31.42 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 1.00 0.38 -0.19 2.52 -4.23 -1.26 -2.73 115.64 111.13 1y9j s THR 136 Ca 0.74 -1.42 -0.06 0.00 -1.18 0.00 0.00 61.69 59.77 1y9j s THR 136 Cb -0.53 -1.00 0.09 0.00 1.34 0.00 0.00 72.50 72.40 1y9j s THR 136 CO 0.35 -0.69 0.37 -1.10 -0.54 0.00 0.00 174.62 173.01 1y9j s GLN 137 N -2.68 0.28 -0.16 3.99 -0.21 -1.12 -4.94 119.66 114.82 1y9j s GLN 137 Ca -0.02 0.87 -0.18 0.00 0.02 0.00 0.00 55.36 56.05 1y9j s GLN 137 Cb -0.02 0.09 -0.04 0.00 1.00 0.00 0.00 33.01 34.04 1y9j s GLN 137 CO -0.04 -0.33 0.48 0.08 -2.12 0.00 0.00 175.29 173.36 1y9j s VAL 138 N 2.55 5.16 0.78 1.09 1.01 -1.26 0.12 120.40 129.86 1y9j s VAL 138 Ca 0.02 0.91 -0.03 0.00 0.00 0.00 0.00 61.98 62.88 1y9j s VAL 138 Cb -0.13 -3.81 0.16 0.00 0.00 0.00 0.00 36.38 32.60 1y9j s VAL 138 CO -0.12 0.25 1.07 0.00 0.00 0.00 0.00 175.10 176.31 1y9j n ALA 139 N 4.25 -0.08 -1.71 5.51 0.00 0.33 -4.93 120.51 123.89 1y9j n ALA 139 Ca -0.06 -1.96 -0.30 0.00 0.00 0.00 0.00 53.44 51.12 1y9j n ALA 139 Cb 0.51 0.26 0.08 0.00 0.00 0.00 0.00 19.45 20.30 1y9j n ALA 139 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1y9j s LYS 140 N -5.29 2.25 -0.07 0.00 -2.85 -1.26 -4.49 119.74 108.03 1y9j s LYS 140 Ca 0.69 0.48 -0.00 0.00 -1.00 0.00 0.00 55.97 56.14 1y9j s LYS 140 Cb -0.04 -1.95 -0.03 0.00 -2.06 0.00 0.00 37.83 33.75 1y9j s LYS 140 CO 0.46 -1.47 -0.03 0.08 0.10 0.00 0.00 175.35 174.49 1y9j s VAL 141 N -3.29 4.02 -0.12 1.79 1.01 -1.26 -4.35 120.40 118.20 1y9j s VAL 141 Ca 0.60 -0.38 -0.06 0.00 0.00 0.00 0.00 61.98 62.14 1y9j s VAL 141 Cb -0.13 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 1y9j s VAL 141 CO 0.53 0.59 -0.16 2.22 0.00 0.00 0.00 175.10 178.28 1y9j n PHE 142 N 2.13 0.00 0.13 5.22 -1.74 -1.25 -4.59 117.46 117.36 1y9j n PHE 142 Ca -0.18 0.00 0.07 0.00 -0.56 0.00 0.00 57.45 56.78 1y9j n PHE 142 Cb 0.53 -0.42 0.36 0.00 1.52 0.00 0.00 39.48 41.46 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 -3.57 0.34 0.30 5.98 9.92 -0.14 -2.13 116.55 127.26 1y9j n ASP 143 Ca -0.23 0.59 0.19 0.00 -0.53 0.00 0.00 54.79 54.80 1y9j n ASP 143 Cb 0.64 -0.59 0.98 0.00 -0.64 0.00 0.00 41.12 41.51 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 0.00 0.00 0.00 -1.24 3.07 -1.53 -2.65 115.11 112.76 1y9j h GLN 144 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.71 1y9j h GLN 144 Cb 0.32 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.88 1y9j h GLN 144 CO 0.00 0.00 -1.23 0.98 0.09 0.00 0.00 178.83 178.67 1y9j n TYR 145 N -3.21 0.00 -4.47 0.06 4.19 -0.90 -4.91 117.16 107.92 1y9j n TYR 145 Ca -0.01 0.00 -0.23 0.00 3.31 0.00 0.00 57.90 60.97 1y9j n TYR 145 Cb 0.25 -0.14 -0.09 0.00 0.49 0.00 0.00 39.34 39.85 1y9j n TYR 145 CO 0.00 0.00 0.00 -0.48 0.91 0.00 0.00 176.86 177.29 1y9j s LEU 146 N -3.69 2.01 0.00 2.98 -0.00 -1.00 -5.21 118.68 113.77 1y9j s LEU 146 Ca -0.02 -1.53 0.00 0.00 -0.00 0.00 0.00 54.13 52.58 1y9j s LEU 146 Cb 0.02 -0.18 0.00 0.00 -0.00 0.00 0.00 46.19 46.03 1y9j s LEU 146 CO 0.18 -0.79 0.00 -3.20 -0.00 0.00 0.00 176.35 172.54