#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h2m s TRP 3 N 0.00 3.85 -1.00 2.13 0.52 -1.26 -5.00 118.94 118.18 3h2m s TRP 3 Ca 0.00 1.53 0.16 0.00 0.02 0.00 0.00 56.10 57.81 3h2m s TRP 3 Cb 0.00 -2.69 0.53 0.00 -1.15 0.00 0.00 33.47 30.16 3h2m s TRP 3 CO 0.00 0.50 1.45 -0.40 0.02 0.00 0.00 176.95 178.52 3h2m n ASP 4 N 1.48 3.85 -4.02 2.95 3.85 -1.26 -4.90 116.55 118.50 3h2m n ASP 4 Ca -0.06 -2.33 -0.08 0.00 -0.71 0.00 0.00 54.79 51.61 3h2m n ASP 4 Cb 0.49 -0.44 -0.09 0.00 -1.35 0.00 0.00 41.12 39.74 3h2m n ASP 4 CO 0.00 0.00 0.00 -0.72 -1.01 0.00 0.00 177.20 175.47 3h2m s TYR 5 N -1.60 0.47 0.25 2.11 -0.85 -1.26 -5.17 117.35 111.31 3h2m s TYR 5 Ca 0.39 -0.92 0.03 0.00 -0.52 0.00 0.00 57.07 56.05 3h2m s TYR 5 Cb 0.25 -0.26 -0.03 0.00 0.38 0.00 0.00 41.96 42.29 3h2m s TYR 5 CO 0.20 -0.51 0.41 -0.51 -1.52 0.00 0.00 175.55 173.61 3h2m s ASP 6 N -2.94 6.33 -0.31 -0.18 1.01 -1.26 -4.53 116.67 114.78 3h2m s ASP 6 Ca 0.12 0.24 -0.26 0.00 0.71 0.00 0.00 52.55 53.36 3h2m s ASP 6 Cb 0.06 -1.94 0.01 0.00 1.01 0.00 0.00 42.92 42.06 3h2m s ASP 6 CO -0.06 -0.11 0.90 -0.22 0.21 0.00 0.00 175.17 175.88 3h2m s LEU 7 N -3.88 4.04 -0.36 1.23 1.98 0.13 -4.91 118.68 116.90 3h2m s LEU 7 Ca 0.36 0.81 -0.17 0.00 -2.89 0.00 0.00 54.13 52.24 3h2m s LEU 7 Cb -0.10 -3.25 -0.00 0.00 0.66 0.00 0.00 46.19 43.50 3h2m s LEU 7 CO 0.31 -0.71 0.48 -0.13 -1.89 0.00 0.00 176.35 174.40 3h2m s ARG 8 N 3.21 3.52 -0.59 1.98 1.81 -1.26 -0.22 118.95 127.40 3h2m s ARG 8 Ca 0.37 -0.30 0.04 0.00 -1.72 0.00 0.00 55.73 54.12 3h2m s ARG 8 Cb -0.13 -3.83 0.36 0.00 -0.45 0.00 0.00 34.95 30.89 3h2m s ARG 8 CO 0.13 -0.66 1.12 0.00 -0.68 0.00 0.00 175.30 175.21 3h2m n GLY 10 N -0.32 1.85 0.24 0.00 0.00 -1.26 -1.55 105.19 104.15 3h2m n GLY 10 Ca 0.36 0.26 0.13 0.00 0.00 0.00 0.00 46.02 46.77 3h2m n GLY 10 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3h2m h GLU 11 N 0.00 0.00 -6.17 1.61 5.08 -2.01 -3.45 114.58 109.63 3h2m h GLU 11 Ca 0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 3h2m h GLU 11 Cb 0.00 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.18 3h2m h GLU 11 CO 0.00 0.09 -0.56 0.71 -1.00 0.00 0.00 179.01 178.25 3h2m s TYR 12 N -3.50 3.20 -0.03 4.33 1.51 -0.60 -5.11 117.35 117.15 3h2m s TYR 12 Ca 0.03 0.02 0.02 0.00 -1.01 0.00 0.00 57.07 56.13 3h2m s TYR 12 Cb 0.08 -1.55 0.01 0.00 -0.11 0.00 0.00 41.96 40.39 3h2m s TYR 12 CO 0.61 0.52 -0.08 0.99 -1.11 0.00 0.00 175.55 176.49 3h2m s THR 13 N -1.69 0.71 -0.22 -0.71 2.01 -1.26 -0.54 115.64 113.94 3h2m s THR 13 Ca 0.31 -0.29 -0.01 0.00 0.31 0.00 0.00 61.69 62.01 3h2m s THR 13 Cb -0.11 -0.65 0.02 0.00 0.01 0.00 0.00 72.50 71.77 3h2m s THR 13 CO 0.24 0.24 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.55 3h2m s LEU 14 N 0.40 2.84 -0.02 4.42 1.43 0.69 -4.97 118.68 123.48 3h2m s LEU 14 Ca -0.06 -0.71 -0.28 0.00 -1.03 0.00 0.00 54.13 52.06 3h2m s LEU 14 Cb -0.10 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 3h2m s LEU 14 CO 0.01 -0.07 0.88 0.21 0.23 0.00 0.00 176.35 177.61 3h2m s ASN 15 N 1.35 7.24 0.00 2.29 3.84 -1.26 0.17 114.94 128.57 3h2m s ASN 15 Ca 0.03 1.50 0.26 0.00 0.21 0.00 0.00 52.86 54.86 3h2m s ASN 15 Cb -0.15 -2.52 0.63 0.00 -0.55 0.00 0.00 41.25 38.66 3h2m s ASN 15 CO -0.06 -0.20 1.49 0.18 -2.79 0.00 0.00 177.10 175.72 3h2m n LEU 16 N 3.82 1.65 -0.10 3.21 4.77 -1.26 -4.36 117.00 124.71 3h2m n LEU 16 Ca 0.03 -0.53 -0.13 0.00 -0.03 0.00 0.00 56.01 55.34 3h2m n LEU 16 Cb 0.51 -0.04 -0.14 0.00 -2.33 0.00 0.00 43.42 41.41 3h2m n LEU 16 CO 0.50 0.29 -1.19 0.59 -1.33 0.00 0.00 177.39 176.25 3h2m n ASN 17 N 0.02 0.89 -0.12 -1.43 3.02 -1.26 -4.65 115.26 111.73 3h2m n ASN 17 Ca 0.14 -0.03 -0.08 0.00 -0.03 0.00 0.00 54.58 54.59 3h2m n ASN 17 Cb 0.41 0.33 0.08 0.00 -0.61 0.00 0.00 39.78 39.99 3h2m n ASN 17 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 3h2m h GLU 18 N 0.00 0.85 -2.27 3.52 4.11 -1.89 -3.47 114.58 115.43 3h2m h GLU 18 Ca -0.54 -0.31 0.04 0.00 0.07 0.00 0.00 59.36 58.61 3h2m h GLU 18 Cb 2.09 -0.06 -0.17 0.00 0.50 0.00 0.00 28.75 31.12 3h2m h GLU 18 CO -0.01 0.94 0.37 -1.59 0.07 0.00 0.00 179.01 178.79 3h2m s LYS 19 N -4.75 0.94 0.22 1.06 -2.85 -1.26 -4.91 119.74 108.19 3h2m s LYS 19 Ca -0.10 -0.14 -0.31 0.00 -1.00 0.00 0.00 55.97 54.42 3h2m s LYS 19 Cb 0.13 0.44 -0.10 0.00 -2.06 0.00 0.00 37.83 36.24 3h2m s LYS 19 CO 0.84 -0.37 1.49 0.99 0.10 0.00 0.00 175.35 178.40 3h2m s THR 20 N -2.50 2.64 -0.11 3.79 2.01 -1.26 -4.86 115.64 115.35 3h2m s THR 20 Ca -0.01 0.51 -0.16 0.00 0.31 0.00 0.00 61.69 62.34 3h2m s THR 20 Cb -0.01 -3.32 -0.05 0.00 0.01 0.00 0.00 72.50 69.13 3h2m s THR 20 CO -0.04 0.07 0.42 -0.76 -0.69 0.00 0.00 174.62 173.61 3h2m s LEU 21 N 0.20 4.30 -0.33 4.42 1.43 0.48 -4.98 118.68 124.20 3h2m s LEU 21 Ca 0.63 0.76 -0.17 0.00 -1.03 0.00 0.00 54.13 54.33 3h2m s LEU 21 Cb -0.43 -2.59 -0.01 0.00 0.03 0.00 0.00 46.19 43.19 3h2m s LEU 21 CO 0.39 0.08 0.46 -0.63 0.23 0.00 0.00 176.35 176.88 3h2m s ILE 22 N 0.29 5.07 -0.34 -0.59 -1.09 -1.26 -1.72 121.20 121.56 3h2m s ILE 22 Ca 0.23 0.35 -0.18 0.00 -2.23 0.00 0.00 60.65 58.82 3h2m s ILE 22 Cb -0.15 -3.89 -0.01 0.00 -1.58 0.00 0.00 42.46 36.84 3h2m s ILE 22 CO 0.09 -0.12 0.49 -0.32 -1.23 0.00 0.00 174.94 173.86 3h2m s MET 23 N 2.26 3.68 -0.06 2.79 -2.45 0.56 -0.94 119.30 125.13 3h2m s MET 23 Ca 0.17 -0.13 -0.17 0.00 -1.25 0.00 0.00 55.69 54.31 3h2m s MET 23 Cb -0.16 -3.79 -0.05 0.00 1.25 0.00 0.00 34.83 32.09 3h2m s MET 23 CO 0.12 -0.59 0.45 0.20 1.05 0.00 0.00 175.02 176.25 3h2m s GLY 24 N 1.73 2.43 -0.36 2.11 0.00 0.53 -0.70 107.32 113.06 3h2m s GLY 24 Ca 0.18 -0.20 -0.25 0.00 0.00 0.00 0.00 44.72 44.45 3h2m s GLY 24 CO 0.13 0.50 0.87 -0.42 0.00 0.00 0.00 173.10 174.17 3h2m s ILE 25 N -0.13 4.65 -0.01 0.90 1.01 -0.82 -0.35 121.20 126.45 3h2m s ILE 25 Ca 0.25 1.08 -0.30 0.00 0.00 0.00 0.00 60.65 61.68 3h2m s ILE 25 Cb -0.16 -4.28 -0.05 0.00 0.01 0.00 0.00 42.46 37.98 3h2m s ILE 25 CO 0.12 -0.48 1.34 -0.22 0.00 0.00 0.00 174.94 175.70 3h2m s LEU 26 N 3.30 4.31 -0.15 2.97 2.96 -0.82 -4.87 118.68 126.39 3h2m s LEU 26 Ca 0.35 2.04 -0.32 0.00 -0.22 0.00 0.00 54.13 55.99 3h2m s LEU 26 Cb -0.13 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 42.91 3h2m s LEU 26 CO 0.18 -0.67 2.05 -3.20 -1.32 0.00 0.00 176.35 173.38 3h2m n ASN 27 N 5.22 3.30 -3.94 3.68 2.85 -1.26 -4.73 115.26 120.37 3h2m n ASN 27 Ca 0.12 0.65 -0.31 0.00 -0.11 0.00 0.00 54.58 54.94 3h2m n ASN 27 Cb 0.44 -1.43 -0.15 0.00 1.24 0.00 0.00 39.78 39.88 3h2m n ASN 27 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3h2m s VAL 28 N 5.90 1.82 -0.47 3.44 0.11 -1.26 -4.75 120.40 125.19 3h2m s VAL 28 Ca 0.97 -1.87 0.03 0.00 -2.93 0.00 0.00 61.98 58.18 3h2m s VAL 28 Cb -0.58 -2.26 0.15 0.00 -1.53 0.00 0.00 36.38 32.16 3h2m s VAL 28 CO 0.45 -0.48 0.31 -0.89 -3.33 0.00 0.00 175.10 171.16 3h2m s THR 29 N 1.17 1.23 0.47 5.04 2.01 -1.26 -5.12 115.64 119.17 3h2m s THR 29 Ca 0.06 -2.78 -0.11 0.00 0.31 0.00 0.00 61.69 59.17 3h2m s THR 29 Cb -0.19 -1.84 -0.10 0.00 0.01 0.00 0.00 72.50 70.38 3h2m s THR 29 CO -0.11 -1.02 -0.28 -2.65 -0.69 0.00 0.00 174.62 169.87 3h2m n PRO 30 N 3.15 0.00 -3.77 4.92 -0.02 -1.26 -4.91 135.00 133.11 3h2m n PRO 30 Ca 0.17 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.27 3h2m n PRO 30 Cb 0.38 -0.65 -0.13 0.00 -0.02 0.00 0.00 33.50 33.09 3h2m n PRO 30 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3h2m s GLY 36 N -0.65 1.80 0.00 -1.23 0.00 -1.26 -4.78 107.32 101.20 3h2m s GLY 36 Ca 0.32 -1.53 0.00 0.00 0.00 0.00 0.00 44.72 43.51 3h2m s GLY 36 CO 0.48 0.68 0.00 0.61 0.00 0.00 0.00 173.10 174.86 3h2m n GLY 37 N 4.84 0.75 3.73 0.20 0.00 -1.26 -4.88 105.19 108.58 3h2m n GLY 37 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 3h2m n GLY 37 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h2m s SER 38 N -2.51 3.79 0.20 1.61 1.04 -1.26 -4.82 113.70 111.75 3h2m s SER 38 Ca 0.00 1.63 -0.11 0.00 0.48 0.00 0.00 55.95 57.94 3h2m s SER 38 Cb 0.00 -2.31 0.16 0.00 0.10 0.00 0.00 66.02 63.98 3h2m s SER 38 CO 0.00 -2.46 1.84 0.22 0.98 0.00 0.00 173.24 173.82 3h2m h TYR 39 N -1.42 0.74 -0.57 5.02 3.20 -1.99 -2.75 116.97 119.21 3h2m h TYR 39 Ca -0.47 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.32 3h2m h TYR 39 Cb 1.27 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 39.27 3h2m h TYR 39 CO 0.48 0.42 -0.04 -0.91 -1.64 0.00 0.00 178.16 176.47 3h2m h ASN 40 N 0.77 1.00 0.69 -2.11 2.35 -1.98 0.18 115.58 116.48 3h2m h ASN 40 Ca 0.26 -0.30 -0.23 0.00 -0.55 0.00 0.00 56.30 55.48 3h2m h ASN 40 Cb 0.02 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 3h2m h ASN 40 CO -0.11 1.08 -1.06 1.05 -1.65 0.00 0.00 177.43 176.74 3h2m h GLU 41 N 0.92 0.19 0.00 0.81 4.11 -1.86 -1.62 114.58 117.14 3h2m h GLU 41 Ca 0.16 -0.28 -0.21 0.00 0.07 0.00 0.00 59.36 59.09 3h2m h GLU 41 Cb 0.59 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 3h2m h GLU 41 CO 0.04 1.08 -1.01 0.28 0.07 0.00 0.00 179.01 179.47 3h2m h VAL 42 N 0.08 1.70 -0.25 -1.06 2.07 -1.29 -2.46 116.25 115.04 3h2m h VAL 42 Ca -0.08 -3.41 -0.15 0.00 0.82 0.00 0.00 66.70 63.89 3h2m h VAL 42 Cb 1.76 2.84 -0.00 0.00 -1.52 0.00 0.00 31.29 34.38 3h2m h VAL 42 CO 0.16 0.97 -0.41 -0.78 0.02 0.00 0.00 177.57 177.53 3h2m h ASP 43 N 0.00 0.79 0.13 0.57 3.58 -0.72 -1.22 116.42 119.55 3h2m h ASP 43 Ca -0.01 -0.52 -0.01 0.00 0.42 0.00 0.00 57.03 56.90 3h2m h ASP 43 Cb 1.77 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 42.59 3h2m h ASP 43 CO 0.13 1.17 -0.04 0.00 -2.88 0.00 0.00 179.24 177.61 3h2m h ALA 44 N 0.65 1.44 0.17 -0.78 0.00 -1.20 -0.68 119.26 118.85 3h2m h ALA 44 Ca 0.02 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.65 3h2m h ALA 44 Cb 1.01 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.81 3h2m h ALA 44 CO 0.09 0.06 -1.09 0.00 0.00 0.00 0.00 179.25 178.31 3h2m h ALA 45 N 1.96 -0.07 -0.55 0.00 0.00 -1.07 -2.29 119.26 117.24 3h2m h ALA 45 Ca -0.00 -0.80 -0.00 0.00 0.00 0.00 0.00 54.91 54.10 3h2m h ALA 45 Cb 0.12 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3h2m h ALA 45 CO 0.01 0.53 0.33 0.28 0.00 0.00 0.00 179.25 180.40 3h2m h VAL 46 N -0.22 1.17 -0.92 0.00 2.07 -1.01 0.05 116.25 117.38 3h2m h VAL 46 Ca -0.20 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 3h2m h VAL 46 Cb 1.80 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.96 3h2m h VAL 46 CO 0.17 0.17 0.53 0.03 0.02 0.00 0.00 177.57 178.50 3h2m h ARG 47 N 0.74 1.26 0.07 1.57 3.08 -1.16 0.58 114.38 120.51 3h2m h ARG 47 Ca 0.20 -0.13 -0.27 0.00 0.07 0.00 0.00 59.98 59.85 3h2m h ARG 47 Cb -0.01 -0.26 0.02 0.00 0.08 0.00 0.00 29.97 29.80 3h2m h ARG 47 CO -0.04 0.90 -1.12 1.25 -1.07 0.00 0.00 179.97 179.89 3h2m h HIS 48 N 1.27 0.83 -0.86 3.04 2.76 -1.23 -1.65 115.15 119.31 3h2m h HIS 48 Ca 0.33 -0.50 0.02 0.00 -2.20 0.00 0.00 60.37 58.02 3h2m h HIS 48 Cb -0.02 -0.08 -0.05 0.00 1.55 0.00 0.00 27.41 28.81 3h2m h HIS 48 CO 0.01 1.34 0.56 0.00 -1.30 0.00 0.00 177.93 178.54 3h2m h ALA 49 N 0.48 1.11 -0.62 5.26 0.00 -0.75 -0.79 119.26 123.95 3h2m h ALA 49 Ca -0.14 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 3h2m h ALA 49 Cb 1.79 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 3h2m h ALA 49 CO 0.21 0.44 0.03 0.87 0.00 0.00 0.00 179.25 180.79 3h2m h LYS 50 N 1.11 1.08 -0.45 0.00 1.57 -0.77 0.15 116.57 119.27 3h2m h LYS 50 Ca 0.33 -0.33 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3h2m h LYS 50 Cb -0.05 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 3h2m h LYS 50 CO -0.10 1.04 0.18 1.49 -0.57 0.00 0.00 179.45 181.49 3h2m h GLU 51 N 0.99 0.67 -0.62 3.15 4.81 -1.09 -1.78 114.58 120.70 3h2m h GLU 51 Ca 0.18 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 59.21 3h2m h GLU 51 Cb 0.53 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 3h2m h GLU 51 CO 0.03 0.62 0.08 0.52 -0.73 0.00 0.00 179.01 179.52 3h2m h MET 52 N 0.58 1.04 -0.43 1.92 2.86 -0.78 -0.61 114.93 119.51 3h2m h MET 52 Ca 0.15 -0.29 0.09 0.00 -2.06 0.00 0.00 59.70 57.58 3h2m h MET 52 Cb 0.20 -0.12 -0.09 0.00 0.06 0.00 0.00 31.60 31.65 3h2m h MET 52 CO -0.01 0.98 -0.22 -0.09 1.06 0.00 0.00 176.91 178.63 3h2m h ARG 53 N 0.95 -0.14 -0.13 1.72 1.12 -0.68 -0.59 114.38 116.63 3h2m h ARG 53 Ca 0.19 0.01 -0.06 0.00 -1.11 0.00 0.00 59.98 59.01 3h2m h ARG 53 Cb 0.46 0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.44 3h2m h ARG 53 CO 0.02 -0.09 -0.17 -0.44 -3.11 0.00 0.00 179.97 176.18 3h2m h ASP 54 N -0.14 0.21 0.80 -3.80 3.32 -0.76 -2.48 116.42 113.56 3h2m h ASP 54 Ca 0.20 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3h2m h ASP 54 Cb 0.46 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.96 3h2m h ASP 54 CO -0.51 0.40 -0.01 -0.62 -1.72 0.00 0.00 179.24 176.77 3h2m n GLU 55 N -4.25 0.19 0.00 3.56 1.02 -0.29 -4.91 120.64 115.96 3h2m n GLU 55 Ca -0.01 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 3h2m n GLU 55 Cb 0.29 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 3h2m n GLU 55 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h2m n GLY 56 N 1.41 1.89 3.79 0.62 0.00 -0.94 -3.99 105.19 107.97 3h2m n GLY 56 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 3h2m n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2m s ALA 57 N -2.00 3.51 -0.11 4.61 0.00 -0.27 -4.69 121.76 122.80 3h2m s ALA 57 Ca 0.00 0.23 0.20 0.00 0.00 0.00 0.00 51.96 52.39 3h2m s ALA 57 Cb 0.00 -2.83 -0.29 0.00 0.00 0.00 0.00 23.12 20.00 3h2m s ALA 57 CO 0.00 0.34 0.32 0.72 0.00 0.00 0.00 175.76 177.14 3h2m n HIS 58 N 1.64 0.05 -3.96 0.00 8.25 -0.12 -4.64 115.22 116.45 3h2m n HIS 58 Ca -0.08 0.02 -0.09 0.00 -0.26 0.00 0.00 57.72 57.31 3h2m n HIS 58 Cb 0.49 -0.75 -0.11 0.00 1.12 0.00 0.00 29.99 30.75 3h2m n HIS 58 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3h2m s ILE 59 N -3.05 0.10 -0.20 1.59 1.01 -0.93 -4.08 121.20 115.64 3h2m s ILE 59 Ca -0.09 -0.84 -0.03 0.00 0.00 0.00 0.00 60.65 59.69 3h2m s ILE 59 Cb 0.10 -0.28 -0.01 0.00 0.01 0.00 0.00 42.46 42.29 3h2m s ILE 59 CO 0.87 -0.46 -0.08 -0.63 0.00 0.00 0.00 174.94 174.64 3h2m s ILE 60 N -1.40 3.15 -0.21 2.92 -1.09 -0.43 -0.34 121.20 123.80 3h2m s ILE 60 Ca -0.15 -0.58 -0.14 0.00 -2.23 0.00 0.00 60.65 57.56 3h2m s ILE 60 Cb -0.09 -2.41 -0.04 0.00 -1.58 0.00 0.00 42.46 38.33 3h2m s ILE 60 CO -0.01 0.45 0.29 -0.62 -1.23 0.00 0.00 174.94 173.83 3h2m s ASP 61 N 1.30 6.33 -0.17 3.58 3.68 0.52 -0.05 116.67 131.85 3h2m s ASP 61 Ca 0.04 0.38 0.01 0.00 2.13 0.00 0.00 52.55 55.10 3h2m s ASP 61 Cb -0.14 -2.18 0.02 0.00 -1.45 0.00 0.00 42.92 39.17 3h2m s ASP 61 CO -0.04 0.01 -0.18 -0.63 0.13 0.00 0.00 175.17 174.47 3h2m s ILE 62 N 1.04 1.91 -0.15 4.11 1.01 0.71 -1.94 121.20 127.89 3h2m s ILE 62 Ca 0.14 -0.87 -0.01 0.00 0.00 0.00 0.00 60.65 59.92 3h2m s ILE 62 Cb -0.14 -1.75 -0.01 0.00 0.01 0.00 0.00 42.46 40.56 3h2m s ILE 62 CO 0.06 0.49 -0.12 -0.83 0.00 0.00 0.00 174.94 174.54 3h2m s GLY 63 N 1.35 1.55 0.00 6.18 0.00 -1.26 -0.57 107.32 114.56 3h2m s GLY 63 Ca 0.04 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 43.83 3h2m s GLY 63 CO -0.12 -0.08 0.00 0.61 0.00 0.00 0.00 173.10 173.51 3h2m n GLY 64 N 3.74 -2.75 0.00 0.20 0.00 -1.23 -4.96 105.19 100.18 3h2m n GLY 64 Ca -0.18 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.09 3h2m n GLY 64 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3h2m n VAL 74 N 0.00 -0.79 -1.36 1.61 0.31 -1.26 -5.08 118.33 111.76 3h2m n VAL 74 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.02 3h2m n VAL 74 Cb 0.00 -0.76 0.08 0.00 -0.91 0.00 0.00 33.84 32.25 3h2m n VAL 74 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3h2m s SER 75 N -0.81 4.64 0.35 4.52 1.04 -1.26 -4.76 113.70 117.41 3h2m s SER 75 Ca 0.00 1.86 0.13 0.00 0.48 0.00 0.00 55.95 58.42 3h2m s SER 75 Cb 0.00 -2.53 1.12 0.00 0.10 0.00 0.00 66.02 64.71 3h2m s SER 75 CO 0.00 -1.95 1.58 0.58 0.98 0.00 0.00 173.24 174.43 3h2m h VAL 76 N -0.89 0.00 0.32 5.02 2.07 -2.04 -1.24 116.25 119.50 3h2m h VAL 76 Ca -0.44 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 3h2m h VAL 76 Cb 1.23 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3h2m h VAL 76 CO 0.52 0.00 -0.28 -0.33 0.02 0.00 0.00 177.57 177.50 3h2m h GLU 77 N 0.00 -0.59 -0.06 1.57 3.07 -2.00 -1.28 114.58 115.30 3h2m h GLU 77 Ca 0.75 0.04 -0.09 0.00 -0.50 0.00 0.00 59.36 59.56 3h2m h GLU 77 Cb 1.85 0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 29.88 3h2m h GLU 77 CO -0.84 -0.40 -0.37 0.93 -1.40 0.00 0.00 179.01 176.94 3h2m h GLU 78 N -0.62 0.12 -0.30 2.33 3.07 -1.68 -1.90 114.58 115.61 3h2m h GLU 78 Ca -0.02 -0.05 -0.09 0.00 -0.50 0.00 0.00 59.36 58.70 3h2m h GLU 78 Cb 0.55 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.45 3h2m h GLU 78 CO -0.03 0.48 -0.16 1.49 -1.40 0.00 0.00 179.01 179.39 3h2m h GLU 79 N 0.10 0.63 -0.08 2.33 4.81 -1.18 -2.43 114.58 118.76 3h2m h GLU 79 Ca 0.01 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 3h2m h GLU 79 Cb 0.71 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.07 3h2m h GLU 79 CO 0.05 0.87 0.05 0.82 -0.73 0.00 0.00 179.01 180.08 3h2m h ILE 80 N 0.38 1.03 -0.86 2.32 2.04 -1.00 -1.19 117.51 120.22 3h2m h ILE 80 Ca 0.06 -0.05 0.12 0.00 1.00 0.00 0.00 64.86 65.99 3h2m h ILE 80 Cb 0.69 0.92 -0.06 0.00 -0.74 0.00 0.00 36.82 37.62 3h2m h ILE 80 CO 0.05 0.02 0.56 0.11 0.00 0.00 0.00 178.15 178.89 3h2m h LYS 81 N 0.10 0.73 0.18 2.37 1.57 -1.38 -0.72 116.57 119.42 3h2m h LYS 81 Ca 0.03 -0.04 -0.31 0.00 -1.87 0.00 0.00 60.65 58.46 3h2m h LYS 81 Cb -0.01 -0.16 0.03 0.00 0.08 0.00 0.00 32.23 32.17 3h2m h LYS 81 CO -0.01 0.48 -1.34 -0.09 -0.57 0.00 0.00 179.45 177.93 3h2m h ARG 82 N 0.75 0.53 0.00 3.15 2.43 -1.15 -3.36 114.38 116.74 3h2m h ARG 82 Ca 0.41 -0.81 -0.33 0.00 -0.81 0.00 0.00 59.98 58.44 3h2m h ARG 82 Cb 0.55 0.29 -0.06 0.00 -0.42 0.00 0.00 29.97 30.33 3h2m h ARG 82 CO -0.18 1.38 -2.01 1.55 -1.51 0.00 0.00 179.97 179.20 3h2m n VAL 83 N -3.72 1.52 -0.03 0.20 3.14 -0.48 -4.01 118.33 114.96 3h2m n VAL 83 Ca -0.14 -0.82 -0.10 0.00 -2.96 0.00 0.00 64.34 60.32 3h2m n VAL 83 Cb 1.04 -0.82 -0.04 0.00 -1.06 0.00 0.00 33.84 32.96 3h2m n VAL 83 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 3h2m h VAL 84 N 0.00 1.03 -0.67 1.55 2.07 -1.35 -1.87 116.25 117.01 3h2m h VAL 84 Ca -0.40 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.08 3h2m h VAL 84 Cb 2.11 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 32.63 3h2m h VAL 84 CO 0.06 0.04 0.41 -0.65 0.02 0.00 0.00 177.57 177.44 3h2m h PRO 85 N 0.22 0.76 -0.72 1.57 0.11 -1.76 -0.69 132.00 131.48 3h2m h PRO 85 Ca 0.06 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 3h2m h PRO 85 Cb -0.01 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 30.89 3h2m h PRO 85 CO -0.02 0.50 0.39 0.52 -0.21 0.00 0.00 178.00 179.18 3h2m h MET 86 N 0.78 1.00 -0.30 1.05 2.86 -1.65 -2.21 114.93 116.46 3h2m h MET 86 Ca 0.28 -0.11 -0.12 0.00 -2.06 0.00 0.00 59.70 57.69 3h2m h MET 86 Cb 0.07 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.53 3h2m h MET 86 CO -0.13 0.73 -0.30 0.82 1.06 0.00 0.00 176.91 179.10 3h2m h ILE 87 N 1.00 1.30 -0.67 -1.22 2.04 -0.72 -1.40 117.51 117.85 3h2m h ILE 87 Ca 0.25 -1.47 -0.03 0.00 1.00 0.00 0.00 64.86 64.62 3h2m h ILE 87 Cb 0.03 1.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 3h2m h ILE 87 CO -0.04 0.47 0.28 1.56 0.00 0.00 0.00 178.15 180.42 3h2m h GLN 88 N 0.47 0.97 0.22 2.37 4.20 -0.99 -1.40 115.11 120.96 3h2m h GLN 88 Ca 0.05 -0.15 -0.33 0.00 0.06 0.00 0.00 58.65 58.27 3h2m h GLN 88 Cb 0.87 -0.17 0.03 0.00 0.30 0.00 0.00 27.48 28.51 3h2m h GLN 88 CO 0.07 0.78 -1.55 0.00 -0.67 0.00 0.00 178.83 177.47 3h2m h ALA 89 N 1.35 -0.04 0.03 3.87 0.00 -1.37 -3.05 119.26 120.06 3h2m h ALA 89 Ca 0.23 -0.96 -0.00 0.00 0.00 0.00 0.00 54.91 54.18 3h2m h ALA 89 Cb 0.16 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3h2m h ALA 89 CO -0.02 0.79 -0.02 0.28 0.00 0.00 0.00 179.25 180.29 3h2m h VAL 90 N 0.09 1.11 -0.61 0.00 2.07 -1.23 -0.54 116.25 117.14 3h2m h VAL 90 Ca -0.29 -0.44 0.12 0.00 0.82 0.00 0.00 66.70 66.91 3h2m h VAL 90 Cb 2.11 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 33.25 3h2m h VAL 90 CO 0.23 0.11 0.41 0.77 0.02 0.00 0.00 177.57 179.12 3h2m h SER 91 N -0.24 0.31 -0.08 0.57 4.64 -1.42 0.26 113.55 117.60 3h2m h SER 91 Ca -0.00 0.01 -0.18 0.00 -0.47 0.00 0.00 61.79 61.15 3h2m h SER 91 Cb 0.22 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.27 3h2m h SER 91 CO 0.01 0.18 -0.65 0.50 -0.87 0.00 0.00 176.83 176.00 3h2m h LYS 92 N 0.34 0.58 0.00 4.77 3.64 -1.36 -3.38 116.57 121.16 3h2m h LYS 92 Ca 0.29 -0.52 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 3h2m h LYS 92 Cb 0.68 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 3h2m h LYS 92 CO -0.07 1.14 -1.32 0.39 -2.27 0.00 0.00 179.45 177.32 3h2m n GLU 93 N -4.12 0.25 -4.04 1.90 1.02 -0.24 -4.85 120.64 110.56 3h2m n GLU 93 Ca -0.09 -0.07 -0.24 0.00 -0.02 0.00 0.00 57.16 56.74 3h2m n GLU 93 Cb 0.68 -1.52 -0.17 0.00 -0.02 0.00 0.00 31.44 30.41 3h2m n GLU 93 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3h2m s VAL 94 N -3.19 0.82 -1.24 2.62 1.01 0.85 -5.02 120.40 116.24 3h2m s VAL 94 Ca 0.02 -0.20 -0.11 0.00 0.00 0.00 0.00 61.98 61.69 3h2m s VAL 94 Cb 0.15 -0.85 0.17 0.00 0.00 0.00 0.00 36.38 35.86 3h2m s VAL 94 CO 0.87 0.32 1.65 0.29 0.00 0.00 0.00 175.10 178.23 3h2m n LYS 95 N 4.63 3.53 -3.91 2.72 4.76 -1.26 -4.44 118.16 124.20 3h2m n LYS 95 Ca -0.15 -3.72 -0.10 0.00 -2.87 0.00 0.00 58.31 51.47 3h2m n LYS 95 Cb 0.50 -2.96 -0.10 0.00 -1.84 0.00 0.00 35.03 30.64 3h2m n LYS 95 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3h2m s LEU 96 N 0.54 1.72 0.60 -0.35 1.43 -1.26 -5.12 118.68 116.24 3h2m s LEU 96 Ca 0.41 -0.41 -0.19 0.00 -1.03 0.00 0.00 54.13 52.90 3h2m s LEU 96 Cb 0.04 0.61 -0.03 0.00 0.03 0.00 0.00 46.19 46.84 3h2m s LEU 96 CO 0.01 -0.45 1.30 -2.16 0.23 0.00 0.00 176.35 175.27 3h2m s PRO 97 N -2.12 2.85 -0.12 1.29 0.04 -1.26 -4.86 135.00 130.83 3h2m s PRO 97 Ca -0.09 2.07 0.03 0.00 0.04 0.00 0.00 61.00 63.04 3h2m s PRO 97 Cb -0.04 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.49 3h2m s PRO 97 CO -0.02 -1.37 -0.21 0.42 0.04 0.00 0.00 177.00 175.86 3h2m s ILE 98 N -1.40 2.27 -0.11 0.56 1.01 -1.26 -1.32 121.20 120.95 3h2m s ILE 98 Ca 0.78 -0.93 -0.11 0.00 0.00 0.00 0.00 60.65 60.39 3h2m s ILE 98 Cb -0.37 -1.90 -0.05 0.00 0.01 0.00 0.00 42.46 40.16 3h2m s ILE 98 CO 0.41 0.55 0.24 -0.94 0.00 0.00 0.00 174.94 175.20 3h2m s SER 99 N 0.51 6.48 -0.30 3.58 1.04 0.93 -0.71 113.70 125.23 3h2m s SER 99 Ca -0.13 0.57 -0.21 0.00 0.48 0.00 0.00 55.95 56.66 3h2m s SER 99 Cb -0.17 -2.14 -0.01 0.00 0.10 0.00 0.00 66.02 63.80 3h2m s SER 99 CO 0.05 0.29 0.64 -0.51 0.98 0.00 0.00 173.24 174.69 3h2m s ILE 100 N -0.53 4.93 -0.97 -1.02 1.10 -0.05 -0.21 121.20 124.44 3h2m s ILE 100 Ca 0.17 0.91 -0.23 0.00 -0.51 0.00 0.00 60.65 60.98 3h2m s ILE 100 Cb -0.13 -4.01 0.05 0.00 0.15 0.00 0.00 42.46 38.52 3h2m s ILE 100 CO 0.06 -0.14 1.40 -0.62 -2.11 0.00 0.00 174.94 173.52 3h2m s ASP 101 N 1.63 6.47 0.00 4.50 3.68 0.26 -0.38 116.67 132.82 3h2m s ASP 101 Ca 0.26 -1.37 -0.14 0.00 2.13 0.00 0.00 52.55 53.43 3h2m s ASP 101 Cb -0.15 -2.55 0.02 0.00 -1.45 0.00 0.00 42.92 38.79 3h2m s ASP 101 CO 0.12 -1.51 0.28 0.28 0.13 0.00 0.00 175.17 174.47 3h2m s THR 102 N 4.86 0.07 -1.52 1.71 -1.32 -0.88 -3.57 115.64 114.99 3h2m s THR 102 Ca 0.43 -0.56 0.18 0.00 -1.21 0.00 0.00 61.69 60.54 3h2m s THR 102 Cb -0.02 -0.67 -0.04 0.00 -1.51 0.00 0.00 72.50 70.27 3h2m s THR 102 CO -0.07 -0.31 0.90 0.00 -2.21 0.00 0.00 174.62 172.94 3h2m n TYR 103 N 1.14 0.00 -3.28 9.09 0.18 -1.26 -3.96 117.16 119.07 3h2m n TYR 103 Ca -0.21 0.00 -0.38 0.00 1.88 0.00 0.00 57.90 59.19 3h2m n TYR 103 Cb 0.57 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.47 3h2m n TYR 103 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3h2m s LYS 104 N -2.19 4.34 0.28 -3.48 1.02 -1.26 -4.19 119.74 114.26 3h2m s LYS 104 Ca 0.14 0.52 -0.01 0.00 0.02 0.00 0.00 55.97 56.64 3h2m s LYS 104 Cb 0.14 -3.43 0.46 0.00 -0.52 0.00 0.00 37.83 34.49 3h2m s LYS 104 CO 0.51 0.17 1.91 0.00 -0.92 0.00 0.00 175.35 177.02 3h2m h ALA 105 N 6.60 1.45 0.06 5.17 0.00 -1.91 -1.96 119.26 128.67 3h2m h ALA 105 Ca -0.42 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.18 3h2m h ALA 105 Cb 1.18 -0.30 0.02 0.00 0.00 0.00 0.00 17.79 18.70 3h2m h ALA 105 CO 0.75 0.42 -1.14 1.49 0.00 0.00 0.00 179.25 180.78 3h2m h GLU 106 N 1.12 0.64 -0.43 0.00 4.57 -1.96 -0.58 114.58 117.94 3h2m h GLU 106 Ca 0.40 -0.77 0.01 0.00 -1.18 0.00 0.00 59.36 57.82 3h2m h GLU 106 Cb 0.14 0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 28.94 3h2m h GLU 106 CO -0.14 1.34 0.27 0.28 -1.18 0.00 0.00 179.01 179.58 3h2m h VAL 107 N 0.33 1.09 -0.17 0.32 2.07 -1.90 -2.36 116.25 115.63 3h2m h VAL 107 Ca -0.15 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 3h2m h VAL 107 Cb 1.80 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 3h2m h VAL 107 CO 0.22 0.10 0.08 0.00 0.02 0.00 0.00 177.57 177.99 3h2m h ALA 108 N 1.17 0.22 -0.27 1.67 0.00 -1.19 -1.35 119.26 119.52 3h2m h ALA 108 Ca 0.16 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.05 3h2m h ALA 108 Cb -0.04 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.61 3h2m h ALA 108 CO -0.05 -0.22 -0.45 -0.22 0.00 0.00 0.00 179.25 178.31 3h2m h LYS 109 N 0.15 -0.41 -0.65 0.00 3.64 -0.98 -1.93 116.57 116.38 3h2m h LYS 109 Ca 0.06 0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 3h2m h LYS 109 Cb 0.12 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 3h2m h LYS 109 CO -0.01 -0.27 0.19 1.96 -2.27 0.00 0.00 179.45 179.05 3h2m h GLN 110 N -0.43 1.00 -0.80 1.90 1.08 -1.32 -1.97 115.11 114.57 3h2m h GLN 110 Ca 0.10 -0.21 0.03 0.00 -1.45 0.00 0.00 58.65 57.12 3h2m h GLN 110 Cb 0.61 -0.15 -0.05 0.00 -0.05 0.00 0.00 27.48 27.85 3h2m h GLN 110 CO -0.49 0.87 0.51 0.00 -0.95 0.00 0.00 178.83 178.77 3h2m h ALA 111 N 1.24 1.05 -0.18 3.87 0.00 -0.83 0.42 119.26 124.82 3h2m h ALA 111 Ca 0.21 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3h2m h ALA 111 Cb 0.30 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3h2m h ALA 111 CO -0.01 0.32 -0.10 0.82 0.00 0.00 0.00 179.25 180.29 3h2m h ILE 112 N 0.99 1.31 -0.89 0.00 2.04 -1.09 -0.33 117.51 119.54 3h2m h ILE 112 Ca 0.32 -1.17 0.10 0.00 1.00 0.00 0.00 64.86 65.11 3h2m h ILE 112 Cb 0.01 1.69 -0.07 0.00 -0.74 0.00 0.00 36.82 37.72 3h2m h ILE 112 CO -0.11 0.35 0.58 -0.33 0.00 0.00 0.00 178.15 178.63 3h2m h GLU 113 N 0.07 0.85 0.00 2.37 4.39 -1.22 -2.03 114.58 119.02 3h2m h GLU 113 Ca 0.04 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3h2m h GLU 113 Cb 0.59 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 3h2m h GLU 113 CO 0.03 0.56 0.00 0.00 -1.16 0.00 0.00 179.01 178.44 3h2m n ALA 114 N -2.41 1.89 0.00 3.43 0.00 0.14 -4.92 120.51 118.65 3h2m n ALA 114 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.57 3h2m n ALA 114 Cb 0.32 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.41 3h2m n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h2m n GLY 115 N 0.50 0.89 3.81 0.00 0.00 -0.68 -3.64 105.19 106.07 3h2m n GLY 115 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 3h2m n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2m s ALA 116 N -0.80 2.93 -0.15 4.61 0.00 -0.22 -4.78 121.76 123.35 3h2m s ALA 116 Ca 0.00 0.45 0.11 0.00 0.00 0.00 0.00 51.96 52.52 3h2m s ALA 116 Cb 0.00 -3.20 -0.15 0.00 0.00 0.00 0.00 23.12 19.77 3h2m s ALA 116 CO 0.00 -0.23 0.29 0.72 0.00 0.00 0.00 175.76 176.54 3h2m n HIS 117 N -1.10 0.00 -3.79 0.00 -0.00 0.12 -4.46 115.22 105.98 3h2m n HIS 117 Ca 0.08 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.67 3h2m n HIS 117 Cb 0.53 -0.17 -0.13 0.00 -0.00 0.00 0.00 29.99 30.22 3h2m n HIS 117 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3h2m s ILE 118 N -2.51 -0.02 -0.23 1.59 1.01 -0.99 -3.98 121.20 116.07 3h2m s ILE 118 Ca -0.02 0.06 -0.13 0.00 0.00 0.00 0.00 60.65 60.56 3h2m s ILE 118 Cb 0.07 -0.25 -0.04 0.00 0.01 0.00 0.00 42.46 42.25 3h2m s ILE 118 CO 0.44 0.02 0.29 -0.63 0.00 0.00 0.00 174.94 175.06 3h2m s ILE 119 N 0.46 5.27 -0.49 2.92 1.01 -0.61 -0.87 121.20 128.88 3h2m s ILE 119 Ca -0.03 0.45 -0.08 0.00 0.00 0.00 0.00 60.65 60.99 3h2m s ILE 119 Cb -0.04 -3.62 0.13 0.00 0.01 0.00 0.00 42.46 38.93 3h2m s ILE 119 CO -0.02 0.28 0.35 0.21 0.00 0.00 0.00 174.94 175.76 3h2m s ASN 120 N 1.15 5.63 -0.43 3.58 2.47 0.49 0.19 114.94 128.01 3h2m s ASN 120 Ca 0.13 -2.08 -0.13 0.00 0.42 0.00 0.00 52.86 51.21 3h2m s ASN 120 Cb -0.14 -1.97 0.06 0.00 -1.45 0.00 0.00 41.25 37.74 3h2m s ASN 120 CO 0.07 -0.63 0.31 -0.62 -3.72 0.00 0.00 177.10 172.52 3h2m s ASP 121 N 2.28 5.93 0.05 -4.21 3.68 -0.51 -2.07 116.67 121.83 3h2m s ASP 121 Ca 0.08 -1.27 0.10 0.00 2.13 0.00 0.00 52.55 53.59 3h2m s ASP 121 Cb -0.24 -2.10 0.44 0.00 -1.45 0.00 0.00 42.92 39.57 3h2m s ASP 121 CO -0.02 -0.55 1.31 2.30 0.13 0.00 0.00 175.17 178.34 3h2m n ILE 122 N 5.08 1.40 0.61 4.11 -5.35 -1.26 -1.89 119.36 122.06 3h2m n ILE 122 Ca -0.11 0.39 0.07 0.00 -0.27 0.00 0.00 62.75 62.83 3h2m n ILE 122 Cb 0.44 -1.28 0.02 0.00 -1.74 0.00 0.00 39.64 37.09 3h2m n ILE 122 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 3h2m n TRP 123 N -1.62 0.00 -3.24 4.28 7.02 -1.26 -4.49 117.44 118.13 3h2m n TRP 123 Ca 0.02 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.31 3h2m n TRP 123 Cb 0.09 0.00 0.05 0.00 -2.42 0.00 0.00 31.31 29.04 3h2m n TRP 123 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3h2m n GLY 124 N 0.96 -0.25 2.45 6.99 0.00 -0.91 -2.19 105.19 112.24 3h2m n GLY 124 Ca 0.07 0.03 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 3h2m n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2m n ALA 125 N -4.16 -0.02 -0.04 4.61 0.00 -1.26 -4.56 120.51 115.08 3h2m n ALA 125 Ca -0.02 0.02 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 3h2m n ALA 125 Cb 0.56 -0.76 -0.14 0.00 0.00 0.00 0.00 19.45 19.11 3h2m n ALA 125 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3h2m n LYS 126 N -1.31 0.65 -0.07 0.00 5.02 -0.93 -3.11 118.16 118.42 3h2m n LYS 126 Ca -0.01 0.15 -0.13 0.00 -2.02 0.00 0.00 58.31 56.30 3h2m n LYS 126 Cb 0.24 -1.68 -0.06 0.00 -0.02 0.00 0.00 35.03 33.51 3h2m n LYS 126 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h2m h ALA 127 N 1.12 0.28 -2.07 7.82 0.00 -1.88 -3.41 119.26 121.13 3h2m h ALA 127 Ca -0.35 -0.33 -0.42 0.00 0.00 0.00 0.00 54.91 53.82 3h2m h ALA 127 Cb 1.98 -0.06 -0.33 0.00 0.00 0.00 0.00 17.79 19.38 3h2m h ALA 127 CO 0.05 0.18 -0.73 -1.21 0.00 0.00 0.00 179.25 177.54 3h2m s GLU 128 N -4.38 0.65 0.60 0.00 2.02 -1.26 -5.03 118.70 111.29 3h2m s GLU 128 Ca -0.14 -1.02 0.29 0.00 0.02 0.00 0.00 54.97 54.12 3h2m s GLU 128 Cb 0.06 -0.85 1.59 0.00 0.10 0.00 0.00 34.13 35.03 3h2m s GLU 128 CO 0.77 -1.21 2.00 -1.35 0.02 0.00 0.00 175.26 175.49 3h2m h PRO 129 N 6.93 0.00 0.00 0.39 0.11 -1.79 -1.74 132.00 135.91 3h2m h PRO 129 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 3h2m h PRO 129 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3h2m h PRO 129 CO 0.21 0.00 0.00 0.87 -0.21 0.00 0.00 178.00 178.87 3h2m h LYS 130 N 0.00 0.00 -0.69 1.05 1.57 -1.96 -2.46 116.57 114.08 3h2m h LYS 130 Ca 0.13 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 59.05 3h2m h LYS 130 Cb 0.79 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.06 3h2m h LYS 130 CO -0.00 0.00 0.46 0.97 -0.57 0.00 0.00 179.45 180.31 3h2m h ILE 131 N 0.00 0.81 -0.10 1.86 2.10 -1.64 -0.85 117.51 119.69 3h2m h ILE 131 Ca 0.00 -0.12 -0.18 0.00 1.08 0.00 0.00 64.86 65.64 3h2m h ILE 131 Cb 0.19 0.42 -0.01 0.00 -1.09 0.00 0.00 36.82 36.34 3h2m h ILE 131 CO 0.00 0.06 -0.69 0.00 -1.08 0.00 0.00 178.15 176.45 3h2m h ALA 132 N 1.67 0.63 -0.78 0.18 0.00 -1.68 0.26 119.26 119.53 3h2m h ALA 132 Ca 0.33 -0.58 0.05 0.00 0.00 0.00 0.00 54.91 54.71 3h2m h ALA 132 Cb 0.81 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 3h2m h ALA 132 CO -0.09 0.74 0.51 0.93 0.00 0.00 0.00 179.25 181.34 3h2m h GLU 133 N 0.30 0.87 0.11 0.00 5.08 -1.42 0.84 114.58 120.36 3h2m h GLU 133 Ca -0.02 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3h2m h GLU 133 Cb 1.25 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3h2m h GLU 133 CO 0.12 0.57 -0.05 0.28 -1.00 0.00 0.00 179.01 178.93 3h2m h VAL 134 N 0.89 1.09 -0.49 3.13 2.07 -0.45 -1.63 116.25 120.86 3h2m h VAL 134 Ca 0.33 -0.87 0.08 0.00 0.82 0.00 0.00 66.70 67.06 3h2m h VAL 134 Cb 0.16 1.63 -0.06 0.00 -1.52 0.00 0.00 31.29 31.49 3h2m h VAL 134 CO -0.11 0.21 0.13 0.00 0.02 0.00 0.00 177.57 177.82 3h2m h ALA 135 N 0.27 0.57 -0.68 1.67 0.00 -0.87 -1.57 119.26 118.65 3h2m h ALA 135 Ca -0.01 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3h2m h ALA 135 Cb 0.45 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 3h2m h ALA 135 CO 0.02 -0.28 0.39 0.00 0.00 0.00 0.00 179.25 179.39 3h2m h ALA 136 N 1.36 0.90 -0.19 0.00 0.00 -0.79 0.20 119.26 120.75 3h2m h ALA 136 Ca 0.24 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 3h2m h ALA 136 Cb 0.30 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3h2m h ALA 136 CO -0.29 0.10 -0.22 1.25 0.00 0.00 0.00 179.25 180.09 3h2m h HIS 137 N 0.74 0.58 -0.00 0.00 6.17 -0.67 -2.98 115.15 118.99 3h2m h HIS 137 Ca 0.29 -0.18 0.00 0.00 0.71 0.00 0.00 60.37 61.19 3h2m h HIS 137 Cb 0.13 -0.12 0.00 0.00 2.52 0.00 0.00 27.41 29.95 3h2m h HIS 137 CO -0.07 0.86 -0.06 0.66 0.71 0.00 0.00 177.93 180.03 3h2m n TYR 138 N -4.44 0.00 -2.49 5.26 4.01 -0.65 -4.93 117.16 113.92 3h2m n TYR 138 Ca -0.06 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.50 3h2m n TYR 138 Cb 0.42 -0.39 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 3h2m n TYR 138 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3h2m n ASP 139 N -1.40 -5.40 -4.89 7.72 2.03 0.66 -5.00 116.55 110.28 3h2m n ASP 139 Ca 0.09 -0.08 -0.31 0.00 0.52 0.00 0.00 54.79 55.01 3h2m n ASP 139 Cb 0.31 -4.40 -0.05 0.00 -0.72 0.00 0.00 41.12 36.26 3h2m n ASP 139 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3h2m s VAL 140 N -2.96 5.13 0.41 5.18 -7.23 -0.92 -4.97 120.40 115.02 3h2m s VAL 140 Ca 0.07 0.10 -0.27 0.00 -1.81 0.00 0.00 61.98 60.07 3h2m s VAL 140 Cb -0.03 -3.62 -0.09 0.00 0.56 0.00 0.00 36.38 33.19 3h2m s VAL 140 CO 0.08 0.01 1.39 -2.84 -0.31 0.00 0.00 175.10 173.44 3h2m s PRO 141 N -2.70 3.94 -0.06 4.82 0.02 -1.26 -4.80 135.00 134.97 3h2m s PRO 141 Ca 0.42 2.35 0.03 0.00 0.02 0.00 0.00 61.00 63.82 3h2m s PRO 141 Cb -0.12 -2.81 0.01 0.00 0.02 0.00 0.00 34.50 31.60 3h2m s PRO 141 CO 0.24 -0.58 -0.13 -1.50 -0.33 0.00 0.00 177.00 174.69 3h2m s ILE 142 N -1.19 1.18 -0.24 2.83 2.07 0.56 -1.57 121.20 124.83 3h2m s ILE 142 Ca 0.56 -0.53 -0.20 0.00 -1.41 0.00 0.00 60.65 59.07 3h2m s ILE 142 Cb -0.42 -1.06 -0.02 0.00 0.13 0.00 0.00 42.46 41.09 3h2m s ILE 142 CO 0.55 0.36 0.63 -0.63 -1.91 0.00 0.00 174.94 173.94 3h2m s ILE 143 N 0.45 4.99 -0.62 2.00 1.01 0.13 -2.31 121.20 126.85 3h2m s ILE 143 Ca -0.11 1.14 -0.15 0.00 0.00 0.00 0.00 60.65 61.54 3h2m s ILE 143 Cb -0.14 -3.94 0.15 0.00 0.01 0.00 0.00 42.46 38.55 3h2m s ILE 143 CO 0.03 0.04 0.56 -0.76 0.00 0.00 0.00 174.94 174.82 3h2m s LEU 144 N 2.39 6.30 0.28 2.97 1.43 -0.41 -1.42 118.68 130.22 3h2m s LEU 144 Ca 0.27 -2.07 -0.24 0.00 -1.03 0.00 0.00 54.13 51.06 3h2m s LEU 144 Cb -0.16 -2.19 -0.09 0.00 0.03 0.00 0.00 46.19 43.78 3h2m s LEU 144 CO 0.09 -0.76 0.87 -0.32 0.23 0.00 0.00 176.35 176.45 3h2m s MET 145 N 1.16 4.50 0.11 1.70 1.75 -0.79 -2.46 119.30 125.26 3h2m s MET 145 Ca 0.08 1.19 -0.31 0.00 -1.25 0.00 0.00 55.69 55.40 3h2m s MET 145 Cb -0.24 -2.89 -0.08 0.00 2.84 0.00 0.00 34.83 34.46 3h2m s MET 145 CO -0.01 0.35 1.36 -1.58 -0.65 0.00 0.00 175.02 174.50 3h2m s HIS 146 N -1.52 3.27 0.18 4.11 2.46 0.11 -3.62 115.29 120.29 3h2m s HIS 146 Ca 0.46 1.01 -0.22 0.00 0.47 0.00 0.00 55.06 56.78 3h2m s HIS 146 Cb -0.19 -3.64 0.06 0.00 -0.13 0.00 0.00 32.58 28.68 3h2m s HIS 146 CO 0.24 -2.21 0.61 1.21 -2.47 0.00 0.00 174.74 172.12 3h2m s ASN 147 N 1.09 -0.49 0.03 9.88 3.84 -1.26 -4.08 114.94 123.95 3h2m s ASN 147 Ca 0.64 -0.15 -0.29 0.00 0.21 0.00 0.00 52.86 53.27 3h2m s ASN 147 Cb -0.36 0.62 0.10 0.00 -0.55 0.00 0.00 41.25 41.06 3h2m s ASN 147 CO 0.30 -1.04 1.10 0.00 -2.79 0.00 0.00 177.10 174.67 3h2m s ARG 148 N -3.79 0.74 0.00 0.43 1.70 -1.26 -5.03 118.95 111.74 3h2m s ARG 148 Ca 0.03 -0.38 0.20 0.00 -0.47 0.00 0.00 55.73 55.11 3h2m s ARG 148 Cb -0.02 0.27 0.56 0.00 -0.57 0.00 0.00 34.95 35.19 3h2m s ARG 148 CO -0.09 -0.34 1.45 -0.40 -1.08 0.00 0.00 175.30 174.84 3h2m n ASP 149 N -0.41 2.48 -4.20 -2.89 5.68 -1.26 -4.61 116.55 111.35 3h2m n ASP 149 Ca -0.07 -1.88 -0.12 0.00 -0.50 0.00 0.00 54.79 52.22 3h2m n ASP 149 Cb 0.61 -0.21 -0.10 0.00 -1.14 0.00 0.00 41.12 40.28 3h2m n ASP 149 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3h2m s ASN 150 N -1.37 0.15 -0.25 -1.12 2.20 -1.26 -5.05 114.94 108.24 3h2m s ASN 150 Ca 0.34 -1.38 0.10 0.00 -0.94 0.00 0.00 52.86 50.98 3h2m s ASN 150 Cb 0.19 0.38 0.44 0.00 -2.00 0.00 0.00 41.25 40.26 3h2m s ASN 150 CO 0.27 -0.84 1.27 0.23 -2.94 0.00 0.00 177.10 175.08 3h2m n MET 151 N -0.27 2.00 -3.29 3.55 2.81 -1.26 -4.85 117.12 115.82 3h2m n MET 151 Ca 0.02 -3.44 -0.46 0.00 -1.81 0.00 0.00 57.70 52.01 3h2m n MET 151 Cb 0.66 -1.78 -0.05 0.00 -0.71 0.00 0.00 33.22 31.34 3h2m n MET 151 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 3h2m s ASN 152 N -3.17 6.23 -0.16 7.83 0.02 -1.26 -4.94 114.94 119.50 3h2m s ASN 152 Ca 0.42 -1.82 -0.05 0.00 -1.02 0.00 0.00 52.86 50.40 3h2m s ASN 152 Cb 0.39 -2.22 -0.03 0.00 0.02 0.00 0.00 41.25 39.40 3h2m s ASN 152 CO -0.04 -0.87 -0.01 -0.31 0.02 0.00 0.00 177.10 175.89 3h2m s TYR 153 N 1.62 3.08 0.15 2.20 1.51 -1.26 -4.97 117.35 119.68 3h2m s TYR 153 Ca 0.05 -0.20 -0.11 0.00 -1.01 0.00 0.00 57.07 55.80 3h2m s TYR 153 Cb -0.28 -1.98 -0.01 0.00 -0.11 0.00 0.00 41.96 39.58 3h2m s TYR 153 CO 0.02 0.02 1.53 -0.09 -1.11 0.00 0.00 175.55 175.92 3h2m h ARG 154 N 6.67 0.94 -1.04 -0.62 2.43 -2.02 -3.43 114.38 117.32 3h2m h ARG 154 Ca -0.33 -0.42 0.06 0.00 -0.81 0.00 0.00 59.98 58.49 3h2m h ARG 154 Cb 1.19 -0.02 -0.21 0.00 -0.42 0.00 0.00 29.97 30.50 3h2m h ARG 154 CO 0.65 1.08 -0.31 1.21 -1.51 0.00 0.00 179.97 181.08 3h2m s ASN 155 N -6.68 -1.39 0.14 -3.80 3.04 -1.26 -5.07 114.94 99.92 3h2m s ASN 155 Ca -0.12 0.64 -0.32 0.00 0.04 0.00 0.00 52.86 53.10 3h2m s ASN 155 Cb 0.12 2.08 -0.10 0.00 -1.54 0.00 0.00 41.25 41.81 3h2m s ASN 155 CO 0.86 -0.27 1.55 0.25 -3.04 0.00 0.00 177.10 176.45 3h2m h LEU 156 N 8.01 -1.94 -0.36 3.21 5.85 -1.99 0.14 115.31 128.23 3h2m h LEU 156 Ca -0.16 0.27 -0.18 0.00 0.84 0.00 0.00 57.88 58.64 3h2m h LEU 156 Cb 1.17 0.81 -0.00 0.00 0.37 0.00 0.00 40.66 43.01 3h2m h LEU 156 CO 0.23 -0.36 -0.60 0.24 -0.34 0.00 0.00 178.44 177.61 3h2m h MET 157 N -0.30 0.73 -0.30 1.25 2.86 -1.97 -0.13 114.93 117.08 3h2m h MET 157 Ca 0.10 -0.49 0.01 0.00 -2.06 0.00 0.00 59.70 57.26 3h2m h MET 157 Cb 0.55 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 3h2m h MET 157 CO -0.68 1.11 0.17 0.00 1.06 0.00 0.00 176.91 178.57 3h2m h ALA 158 N 0.78 0.37 -0.79 6.32 0.00 -1.95 -1.39 119.26 122.60 3h2m h ALA 158 Ca -0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3h2m h ALA 158 Cb 1.18 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 3h2m h ALA 158 CO 0.12 -0.19 0.33 -0.44 0.00 0.00 0.00 179.25 179.07 3h2m h ASP 159 N 0.36 1.07 -0.34 0.00 3.32 -0.40 -1.57 116.42 118.87 3h2m h ASP 159 Ca 0.11 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 3h2m h ASP 159 Cb -0.01 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 3h2m h ASP 159 CO -0.05 0.94 0.03 0.24 -1.72 0.00 0.00 179.24 178.68 3h2m h MET 160 N 1.14 0.58 -0.18 3.56 2.86 -0.87 0.11 114.93 122.13 3h2m h MET 160 Ca 0.27 -0.17 0.03 0.00 -2.06 0.00 0.00 59.70 57.76 3h2m h MET 160 Cb 0.19 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 3h2m h MET 160 CO -0.03 0.68 0.01 0.82 1.06 0.00 0.00 176.91 179.46 3h2m h ILE 161 N 0.40 0.89 -0.25 -1.22 2.04 -1.25 0.34 117.51 118.46 3h2m h ILE 161 Ca 0.10 -0.03 0.06 0.00 1.00 0.00 0.00 64.86 65.99 3h2m h ILE 161 Cb 0.41 0.81 -0.07 0.00 -0.74 0.00 0.00 36.82 37.22 3h2m h ILE 161 CO 0.01 0.01 -0.23 0.00 0.00 0.00 0.00 178.15 177.95 3h2m h ALA 162 N 1.15 -0.09 -0.53 1.87 0.00 -1.20 0.25 119.26 120.70 3h2m h ALA 162 Ca 0.08 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3h2m h ALA 162 Cb 0.10 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3h2m h ALA 162 CO -0.13 -0.65 0.31 -0.44 0.00 0.00 0.00 179.25 178.34 3h2m h ASP 163 N -0.23 0.65 -0.74 0.00 3.32 -0.54 -1.03 116.42 117.86 3h2m h ASP 163 Ca 0.14 -0.07 0.03 0.00 0.02 0.00 0.00 57.03 57.15 3h2m h ASP 163 Cb 0.44 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.78 3h2m h ASP 163 CO -0.38 0.54 0.47 -0.07 -1.72 0.00 0.00 179.24 178.07 3h2m h LEU 164 N 0.72 0.76 -0.67 1.55 3.38 -0.14 -2.27 115.31 118.65 3h2m h LEU 164 Ca 0.19 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.20 3h2m h LEU 164 Cb 0.01 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 3h2m h LEU 164 CO -0.03 0.52 0.40 1.88 0.09 0.00 0.00 178.44 181.30 3h2m h TYR 165 N 0.90 0.74 -0.82 1.13 0.05 0.11 -1.28 116.97 117.80 3h2m h TYR 165 Ca 0.30 0.02 0.09 0.00 0.05 0.00 0.00 58.73 59.20 3h2m h TYR 165 Cb 0.04 -0.24 -0.07 0.00 1.01 0.00 0.00 36.73 37.47 3h2m h TYR 165 CO -0.04 0.39 0.47 -0.44 -1.05 0.00 0.00 178.16 177.50 3h2m h ASP 166 N 0.76 0.68 -0.49 3.88 3.32 -0.78 1.00 116.42 124.80 3h2m h ASP 166 Ca 0.28 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.38 3h2m h ASP 166 Cb 0.09 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3h2m h ASP 166 CO -0.14 0.40 0.31 0.28 -1.72 0.00 0.00 179.24 178.37 3h2m h SER 167 N 0.80 0.57 -0.45 6.45 0.02 -0.87 -1.64 113.55 118.42 3h2m h SER 167 Ca 0.39 -0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 61.25 3h2m h SER 167 Cb 0.35 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 3h2m h SER 167 CO -0.24 0.43 0.07 0.40 -1.14 0.00 0.00 176.83 176.35 3h2m h ILE 168 N 0.66 1.23 -0.04 3.27 2.04 -0.39 0.51 117.51 124.79 3h2m h ILE 168 Ca 0.18 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 65.12 3h2m h ILE 168 Cb -0.05 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 36.79 3h2m h ILE 168 CO -0.04 0.33 0.00 0.50 0.00 0.00 0.00 178.15 178.94 3h2m h LYS 169 N 0.78 0.07 -0.42 2.37 1.63 -0.67 -0.00 116.57 120.33 3h2m h LYS 169 Ca 0.16 -0.02 0.07 0.00 -0.85 0.00 0.00 60.65 60.01 3h2m h LYS 169 Cb 0.37 -0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 31.93 3h2m h LYS 169 CO 0.01 0.35 0.05 0.82 -3.45 0.00 0.00 179.45 177.23 3h2m h ILE 170 N -0.22 0.73 -0.18 2.00 2.04 -1.07 -0.10 117.51 120.72 3h2m h ILE 170 Ca 0.01 -0.06 0.04 0.00 1.00 0.00 0.00 64.86 65.86 3h2m h ILE 170 Cb 0.32 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 3h2m h ILE 170 CO 0.00 0.03 -0.10 0.00 0.00 0.00 0.00 178.15 178.08 3h2m h ALA 171 N 1.35 0.05 -0.48 1.87 0.00 -0.70 -2.47 119.26 118.88 3h2m h ALA 171 Ca 0.21 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 3h2m h ALA 171 Cb 0.28 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3h2m h ALA 171 CO -0.31 -0.53 -0.11 0.87 0.00 0.00 0.00 179.25 179.17 3h2m h LYS 172 N -0.09 0.92 -0.58 0.00 1.57 -0.79 0.17 116.57 117.78 3h2m h LYS 172 Ca 0.10 -0.35 0.11 0.00 -1.87 0.00 0.00 60.65 58.64 3h2m h LYS 172 Cb 0.24 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 3h2m h LYS 172 CO -0.24 1.01 0.39 -0.44 -0.57 0.00 0.00 179.45 179.60 3h2m h ASP 173 N 0.78 0.29 0.39 0.86 3.45 -0.99 0.16 116.42 121.37 3h2m h ASP 173 Ca 0.12 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.59 3h2m h ASP 173 Cb 0.66 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.38 3h2m h ASP 173 CO 0.05 0.17 -0.10 0.00 -1.57 0.00 0.00 179.24 177.79 3h2m n ALA 174 N -2.54 2.73 -0.16 3.45 0.00 -0.93 -4.93 120.51 118.14 3h2m n ALA 174 Ca 0.10 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3h2m n ALA 174 Cb 0.41 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3h2m n ALA 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h2m n GLY 175 N 1.29 0.92 3.70 0.00 0.00 0.57 -4.63 105.19 107.03 3h2m n GLY 175 Ca 0.14 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3h2m n GLY 175 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h2m s VAL 176 N -2.00 3.23 0.42 1.61 1.01 0.01 -4.79 120.40 119.88 3h2m s VAL 176 Ca 0.00 0.77 -0.24 0.00 0.00 0.00 0.00 61.98 62.51 3h2m s VAL 176 Cb 0.00 -3.49 -0.08 0.00 0.00 0.00 0.00 36.38 32.81 3h2m s VAL 176 CO 0.00 0.03 1.15 -0.13 0.00 0.00 0.00 175.10 176.15 3h2m s ARG 177 N 1.91 3.98 0.32 2.72 0.52 -1.26 -4.19 118.95 122.94 3h2m s ARG 177 Ca 0.68 1.77 0.10 0.00 -0.52 0.00 0.00 55.73 57.76 3h2m s ARG 177 Cb -0.37 -2.58 0.90 0.00 0.52 0.00 0.00 34.95 33.42 3h2m s ARG 177 CO 0.30 -0.36 1.72 -0.44 0.02 0.00 0.00 175.30 176.54 3h2m h ASP 178 N 2.44 0.65 0.19 0.23 3.32 -1.97 0.50 116.42 121.79 3h2m h ASP 178 Ca -0.49 0.14 -0.00 0.00 0.02 0.00 0.00 57.03 56.70 3h2m h ASP 178 Cb 1.24 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.83 3h2m h ASP 178 CO 0.62 0.08 -0.02 -0.33 -1.72 0.00 0.00 179.24 177.86 3h2m h GLU 179 N 0.55 0.00 -0.65 3.56 3.07 -1.99 -1.04 114.58 118.08 3h2m h GLU 179 Ca 0.65 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.51 3h2m h GLU 179 Cb 1.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 3h2m h GLU 179 CO -0.49 0.02 0.00 0.09 -1.40 0.00 0.00 179.01 177.23 3h2m n ASN 180 N -3.34 4.23 -4.55 1.42 5.03 0.17 -4.85 115.26 113.37 3h2m n ASN 180 Ca -0.02 -2.36 -0.35 0.00 0.87 0.00 0.00 54.58 52.72 3h2m n ASN 180 Cb 0.13 -0.54 -0.11 0.00 -1.02 0.00 0.00 39.78 38.24 3h2m n ASN 180 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3h2m s ILE 181 N -1.75 4.50 0.07 2.41 1.01 -0.40 -0.32 121.20 126.73 3h2m s ILE 181 Ca 0.46 -0.12 0.09 0.00 0.00 0.00 0.00 60.65 61.07 3h2m s ILE 181 Cb 0.29 -3.05 -0.03 0.00 0.01 0.00 0.00 42.46 39.67 3h2m s ILE 181 CO 0.23 0.41 -0.24 -0.63 0.00 0.00 0.00 174.94 174.71 3h2m s ILE 182 N 0.86 2.00 0.26 2.92 1.01 -0.98 -4.17 121.20 123.10 3h2m s ILE 182 Ca 0.03 -1.46 0.11 0.00 0.00 0.00 0.00 60.65 59.33 3h2m s ILE 182 Cb -0.14 -1.75 -0.05 0.00 0.01 0.00 0.00 42.46 40.54 3h2m s ILE 182 CO 0.02 0.20 -0.17 -0.76 0.00 0.00 0.00 174.94 174.23 3h2m s LEU 183 N -1.53 2.68 -0.11 2.97 1.43 0.56 -1.29 118.68 123.40 3h2m s LEU 183 Ca 0.11 -0.92 -0.07 0.00 -1.03 0.00 0.00 54.13 52.22 3h2m s LEU 183 Cb -0.10 -1.23 0.04 0.00 0.03 0.00 0.00 46.19 44.93 3h2m s LEU 183 CO 0.03 0.05 0.27 -0.62 0.23 0.00 0.00 176.35 176.31 3h2m s ASP 184 N -3.37 -0.30 0.02 2.29 3.68 -1.03 -0.52 116.67 117.44 3h2m s ASP 184 Ca 0.28 0.57 0.13 0.00 2.13 0.00 0.00 52.55 55.67 3h2m s ASP 184 Cb -0.06 0.48 0.56 0.00 -1.45 0.00 0.00 42.92 42.46 3h2m s ASP 184 CO 0.15 -0.15 1.42 -0.81 0.13 0.00 0.00 175.17 175.91 3h2m n PRO 185 N 3.93 0.01 -3.34 4.34 -0.04 -1.26 0.07 135.00 138.72 3h2m n PRO 185 Ca -0.22 0.29 -0.16 0.00 -0.04 0.00 0.00 63.50 63.37 3h2m n PRO 185 Cb 0.54 -1.52 0.08 0.00 -0.04 0.00 0.00 33.50 32.57 3h2m n PRO 185 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h2m n GLY 186 N -0.21 -0.43 3.72 0.55 0.00 -1.26 -4.52 105.19 103.04 3h2m n GLY 186 Ca 0.03 0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 3h2m n GLY 186 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3h2m n ILE 187 N -3.89 0.43 -0.62 -0.61 2.08 -1.26 -1.70 119.36 113.79 3h2m n ILE 187 Ca -0.25 -0.11 0.00 0.00 0.56 0.00 0.00 62.75 62.95 3h2m n ILE 187 Cb 0.66 -1.88 0.00 0.00 -0.75 0.00 0.00 39.64 37.67 3h2m n ILE 187 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3h2m n GLY 188 N 3.12 0.70 3.01 7.39 0.00 -1.26 -4.91 105.19 113.25 3h2m n GLY 188 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 3h2m n GLY 188 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h2m s PHE 189 N -2.13 1.44 -1.12 1.61 0.40 -0.69 -4.75 117.98 112.74 3h2m s PHE 189 Ca 0.00 -0.54 -0.05 0.00 -0.60 0.00 0.00 56.93 55.74 3h2m s PHE 189 Cb 0.00 -1.07 0.04 0.00 0.51 0.00 0.00 43.02 42.50 3h2m s PHE 189 CO 0.00 -0.29 0.26 0.00 0.70 0.00 0.00 175.22 175.90 3h2m n ALA 190 N 3.87 -0.94 -2.83 5.36 0.00 -1.26 -4.85 120.51 119.86 3h2m n ALA 190 Ca -0.22 0.09 -0.17 0.00 0.00 0.00 0.00 53.44 53.14 3h2m n ALA 190 Cb 0.52 -2.15 -0.15 0.00 0.00 0.00 0.00 19.45 17.67 3h2m n ALA 190 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3h2m s LYS 191 N -5.53 0.53 0.81 0.00 1.02 -1.26 -4.49 119.74 110.81 3h2m s LYS 191 Ca 0.21 -0.21 -0.11 0.00 0.02 0.00 0.00 55.97 55.88 3h2m s LYS 191 Cb -0.11 -0.52 0.08 0.00 -0.52 0.00 0.00 37.83 36.76 3h2m s LYS 191 CO 0.25 0.11 1.09 0.95 -0.92 0.00 0.00 175.35 176.84 3h2m s THR 192 N -0.03 3.13 0.41 2.17 -4.23 -1.26 -4.77 115.64 111.06 3h2m s THR 192 Ca 0.01 0.37 0.19 0.00 -1.18 0.00 0.00 61.69 61.08 3h2m s THR 192 Cb -0.04 -2.85 0.40 0.00 1.34 0.00 0.00 72.50 71.35 3h2m s THR 192 CO -0.00 -0.48 1.81 1.55 -0.54 0.00 0.00 174.62 176.96 3h2m h PRO 193 N -1.25 0.37 0.01 3.99 0.13 -1.97 -0.77 132.00 132.50 3h2m h PRO 193 Ca -0.45 -0.02 -0.24 0.00 -0.87 0.00 0.00 66.00 64.42 3h2m h PRO 193 Cb 1.25 -0.08 0.01 0.00 0.13 0.00 0.00 31.00 32.30 3h2m h PRO 193 CO 0.52 0.24 -0.98 0.93 -0.23 0.00 0.00 178.00 178.48 3h2m h GLU 194 N 0.38 0.48 -0.55 0.86 3.07 -1.98 -2.87 114.58 113.96 3h2m h GLU 194 Ca 0.54 -0.52 -0.06 0.00 -0.50 0.00 0.00 59.36 58.82 3h2m h GLU 194 Cb 1.40 0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 29.44 3h2m h GLU 194 CO -0.23 1.17 0.11 1.96 -1.40 0.00 0.00 179.01 180.62 3h2m h GLN 195 N 0.27 0.87 -0.74 2.33 4.20 -1.66 -1.04 115.11 119.34 3h2m h GLN 195 Ca -0.10 -0.19 0.02 0.00 0.06 0.00 0.00 58.65 58.44 3h2m h GLN 195 Cb 1.62 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 29.24 3h2m h GLN 195 CO 0.18 0.79 0.49 -0.91 -0.67 0.00 0.00 178.83 178.71 3h2m h ASN 196 N 0.83 0.81 0.38 1.46 2.35 -1.08 0.12 115.58 120.44 3h2m h ASN 196 Ca 0.18 -0.02 -0.22 0.00 -0.55 0.00 0.00 56.30 55.69 3h2m h ASN 196 Cb 0.34 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 3h2m h ASN 196 CO 0.00 0.57 -0.93 -0.07 -1.65 0.00 0.00 177.43 175.36 3h2m h LEU 197 N 0.95 0.48 -0.81 1.61 3.38 -1.28 -1.79 115.31 117.85 3h2m h LEU 197 Ca 0.28 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.87 3h2m h LEU 197 Cb -0.03 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 3h2m h LEU 197 CO -0.07 1.19 0.53 -0.08 0.09 0.00 0.00 178.44 180.09 3h2m h GLU 198 N 0.21 1.07 -0.05 1.13 4.81 -0.71 0.71 114.58 121.74 3h2m h GLU 198 Ca -0.07 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 3h2m h GLU 198 Cb 1.56 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 30.70 3h2m h GLU 198 CO 0.16 0.71 -0.02 0.00 -0.73 0.00 0.00 179.01 179.13 3h2m h ALA 199 N 1.29 0.07 -0.79 2.92 0.00 -0.65 -2.44 119.26 119.67 3h2m h ALA 199 Ca 0.30 -0.22 0.18 0.00 0.00 0.00 0.00 54.91 55.17 3h2m h ALA 199 Cb -0.12 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 17.52 3h2m h ALA 199 CO -0.06 -0.19 0.03 0.52 0.00 0.00 0.00 179.25 179.55 3h2m h MET 200 N -0.27 0.11 0.00 0.00 2.86 -1.31 -0.85 114.93 115.46 3h2m h MET 200 Ca 0.01 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 3h2m h MET 200 Cb 0.45 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.08 3h2m h MET 200 CO 0.01 0.07 -0.04 -0.09 1.06 0.00 0.00 176.91 177.92 3h2m h ARG 201 N 0.11 0.00 0.00 1.72 2.43 -0.57 -3.15 114.38 114.92 3h2m h ARG 201 Ca 0.44 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.61 3h2m h ARG 201 Cb 0.80 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 3h2m h ARG 201 CO -0.68 0.04 -0.03 0.09 -1.51 0.00 0.00 179.97 177.88 3h2m n ASN 202 N -3.94 1.91 0.09 -3.80 3.02 -0.68 -4.80 115.26 107.07 3h2m n ASN 202 Ca -0.03 -2.43 0.10 0.00 -0.03 0.00 0.00 54.58 52.20 3h2m n ASN 202 Cb 0.13 -0.20 0.57 0.00 -0.61 0.00 0.00 39.78 39.67 3h2m n ASN 202 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3h2m h LEU 203 N 0.00 0.18 -2.35 3.41 3.38 -1.15 -1.08 115.31 117.70 3h2m h LEU 203 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h2m h LEU 203 Cb 0.81 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3h2m h LEU 203 CO 0.00 0.12 0.06 1.05 0.09 0.00 0.00 178.44 179.76 3h2m h GLU 204 N 0.20 0.00 0.00 1.13 9.09 -1.87 -1.88 114.58 121.25 3h2m h GLU 204 Ca 0.13 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.51 3h2m h GLU 204 Cb 0.26 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.36 3h2m h GLU 204 CO -0.02 0.00 -0.12 1.96 0.05 0.00 0.00 179.01 180.88 3h2m h GLN 205 N 0.00 0.00 0.00 1.06 4.20 -1.54 -2.40 115.11 116.43 3h2m h GLN 205 Ca 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 3h2m h GLN 205 Cb 0.13 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 3h2m h GLN 205 CO 0.00 0.12 -0.13 -0.07 -0.67 0.00 0.00 178.83 178.07 3h2m h LEU 206 N 0.00 0.00 -1.60 1.46 3.38 -1.56 -2.93 115.31 114.06 3h2m h LEU 206 Ca -0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 3h2m h LEU 206 Cb 0.34 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3h2m h LEU 206 CO 0.02 0.13 0.35 0.78 0.09 0.00 0.00 178.44 179.81 3h2m h ASN 207 N 0.00 0.43 -0.02 -0.43 2.35 -1.62 -2.15 115.58 114.13 3h2m h ASN 207 Ca -0.00 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3h2m h ASN 207 Cb 0.44 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.71 3h2m h ASN 207 CO 0.02 0.28 0.20 -0.37 -1.65 0.00 0.00 177.43 175.91 3h2m h VAL 208 N 0.49 0.05 0.00 2.81 -1.51 -1.70 -1.99 116.25 114.41 3h2m h VAL 208 Ca 0.23 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.70 3h2m h VAL 208 Cb 0.27 0.81 0.00 0.00 -2.13 0.00 0.00 31.29 30.24 3h2m h VAL 208 CO -0.06 0.00 -0.01 0.18 -1.23 0.00 0.00 177.57 176.44 3h2m n LEU 209 N -3.06 0.72 0.00 4.19 4.77 -0.81 -4.92 117.00 117.89 3h2m n LEU 209 Ca -0.02 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 3h2m n LEU 209 Cb 0.26 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 3h2m n LEU 209 CO 0.17 -0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 3h2m n GLY 210 N 1.33 0.66 3.77 -0.72 0.00 -0.75 -5.08 105.19 104.41 3h2m n GLY 210 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 3h2m n GLY 210 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h2m s TYR 211 N -2.55 3.08 0.73 1.61 1.51 -1.26 -5.11 117.35 115.36 3h2m s TYR 211 Ca 0.00 -0.04 -0.15 0.00 -1.01 0.00 0.00 57.07 55.86 3h2m s TYR 211 Cb 0.00 -1.48 0.04 0.00 -0.11 0.00 0.00 41.96 40.41 3h2m s TYR 211 CO 0.00 0.52 1.24 -2.14 -1.11 0.00 0.00 175.55 174.06 3h2m s PRO 212 N -3.06 2.06 -0.12 -1.71 0.02 -1.26 -4.78 135.00 126.14 3h2m s PRO 212 Ca 0.30 1.89 0.03 0.00 0.02 0.00 0.00 61.00 63.24 3h2m s PRO 212 Cb -0.10 -1.81 0.01 0.00 0.02 0.00 0.00 34.50 32.62 3h2m s PRO 212 CO 0.22 -1.93 -0.23 0.08 -0.33 0.00 0.00 177.00 174.82 3h2m s VAL 213 N -1.82 2.06 -0.17 3.83 1.01 -1.26 -0.32 120.40 123.74 3h2m s VAL 213 Ca 0.77 -1.00 -0.08 0.00 0.00 0.00 0.00 61.98 61.68 3h2m s VAL 213 Cb -0.32 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 3h2m s VAL 213 CO 0.45 0.55 0.10 -0.22 0.00 0.00 0.00 175.10 175.99 3h2m s LEU 214 N 0.63 4.06 -0.15 3.92 0.20 0.32 -0.28 118.68 127.38 3h2m s LEU 214 Ca -0.12 0.23 -0.02 0.00 0.69 0.00 0.00 54.13 54.91 3h2m s LEU 214 Cb -0.16 -2.02 -0.02 0.00 -0.43 0.00 0.00 46.19 43.56 3h2m s LEU 214 CO 0.02 0.25 -0.09 -0.22 -0.29 0.00 0.00 176.35 176.02 3h2m s LEU 215 N -0.06 2.90 -0.42 -0.68 2.96 -0.51 -4.08 118.68 118.79 3h2m s LEU 215 Ca 0.08 -0.28 0.04 0.00 -0.22 0.00 0.00 54.13 53.75 3h2m s LEU 215 Cb -0.12 -1.68 0.11 0.00 0.50 0.00 0.00 46.19 45.01 3h2m s LEU 215 CO 0.00 0.14 0.14 -0.83 -1.32 0.00 0.00 176.35 174.49 3h2m s GLY 216 N 0.52 2.15 0.00 7.98 0.00 -1.26 -0.91 107.32 115.80 3h2m s GLY 216 Ca -0.06 -2.85 0.00 0.00 0.00 0.00 0.00 44.72 41.81 3h2m s GLY 216 CO 0.03 0.98 0.04 -1.30 0.00 0.00 0.00 173.10 172.86 3h2m n THR 217 N 3.75 0.00 -1.52 0.90 -2.24 -1.26 -4.49 114.28 109.42 3h2m n THR 217 Ca 0.04 -0.49 -0.51 0.00 -2.27 0.00 0.00 64.05 60.82 3h2m n THR 217 Cb 0.38 1.00 -0.07 0.00 -2.10 0.00 0.00 70.33 69.54 3h2m n THR 217 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3h2m n SER 218 N -0.97 2.38 -0.56 3.42 2.88 -1.26 -1.68 113.62 117.83 3h2m n SER 218 Ca 0.00 0.57 -0.07 0.00 -1.33 0.00 0.00 58.87 58.04 3h2m n SER 218 Cb 0.01 -1.27 -0.03 0.00 -0.75 0.00 0.00 64.21 62.17 3h2m n SER 218 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3h2m n ARG 219 N 7.62 -1.05 -1.41 -1.46 1.74 -1.26 -4.90 116.66 115.94 3h2m n ARG 219 Ca 0.36 0.67 -0.30 0.00 -0.77 0.00 0.00 57.85 57.81 3h2m n ARG 219 Cb 0.23 -4.67 0.09 0.00 -1.02 0.00 0.00 32.46 27.09 3h2m n ARG 219 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3h2m s LYS 220 N -2.28 2.22 0.51 5.56 1.02 -0.68 -4.83 119.74 121.26 3h2m s LYS 220 Ca 0.00 0.91 0.27 0.00 0.02 0.00 0.00 55.97 57.17 3h2m s LYS 220 Cb 0.00 -1.91 1.36 0.00 -0.52 0.00 0.00 37.83 36.76 3h2m s LYS 220 CO 0.00 -1.60 2.03 0.66 -0.92 0.00 0.00 175.35 175.52 3h2m h SER 221 N -1.08 0.00 0.58 2.83 4.64 -1.92 -1.52 113.55 117.07 3h2m h SER 221 Ca -0.46 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3h2m h SER 221 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3h2m h SER 221 CO 0.55 0.14 -0.02 2.19 -0.87 0.00 0.00 176.83 178.83 3h2m h PHE 222 N 0.00 0.00 -0.14 4.77 -5.15 -1.93 0.79 116.94 115.28 3h2m h PHE 222 Ca -0.00 0.00 -0.17 0.00 -0.20 0.00 0.00 57.97 57.59 3h2m h PHE 222 Cb 0.40 0.00 0.01 0.00 0.22 0.00 0.00 35.95 36.58 3h2m h PHE 222 CO 0.00 0.02 -0.60 0.82 -2.00 0.00 0.00 178.31 176.55 3h2m h ILE 223 N 0.00 1.33 -0.49 0.88 2.04 -1.62 -2.60 117.51 117.03 3h2m h ILE 223 Ca -0.00 -1.86 0.09 0.00 1.00 0.00 0.00 64.86 64.09 3h2m h ILE 223 Cb 0.31 2.06 -0.07 0.00 -0.74 0.00 0.00 36.82 38.38 3h2m h ILE 223 CO 0.00 0.57 0.09 1.23 0.00 0.00 0.00 178.15 180.04 3h2m h GLY 224 N 0.32 0.59 1.00 5.37 0.00 -1.30 0.20 103.07 109.26 3h2m h GLY 224 Ca -0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 3h2m h GLY 224 CO 0.12 -0.08 0.37 0.84 0.00 0.00 0.00 176.54 177.80 3h2m h HIS 225 N 0.22 0.93 0.05 5.60 -0.00 -0.82 0.29 115.15 121.42 3h2m h HIS 225 Ca 0.25 -0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.59 3h2m h HIS 225 Cb 0.34 -0.30 0.00 0.00 -0.00 0.00 0.00 27.41 27.45 3h2m h HIS 225 CO -0.24 0.66 -0.03 0.28 -0.00 0.00 0.00 177.93 178.61 3h2m h VAL 226 N 0.93 1.28 -0.00 5.26 2.07 -1.18 -3.35 116.25 121.25 3h2m h VAL 226 Ca 0.24 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 66.24 3h2m h VAL 226 Cb 0.04 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 3h2m h VAL 226 CO -0.04 0.36 -0.18 0.18 0.02 0.00 0.00 177.57 177.91 3h2m n LEU 227 N -4.80 0.18 -3.93 2.57 4.77 0.69 -4.95 117.00 111.54 3h2m n LEU 227 Ca -0.08 0.32 -0.27 0.00 -0.03 0.00 0.00 56.01 55.94 3h2m n LEU 227 Cb 0.32 -0.41 -0.01 0.00 -2.33 0.00 0.00 43.42 40.99 3h2m n LEU 227 CO 0.29 0.05 -0.22 -0.67 -1.33 0.00 0.00 177.39 175.51 3h2m n ASP 228 N -1.50 -1.17 -4.18 -1.43 2.03 0.10 -5.02 116.55 105.39 3h2m n ASP 228 Ca 0.07 -1.03 -0.23 0.00 0.52 0.00 0.00 54.79 54.11 3h2m n ASP 228 Cb 0.34 -2.98 -0.14 0.00 -0.72 0.00 0.00 41.12 37.61 3h2m n ASP 228 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3h2m s LEU 229 N -6.93 2.13 0.88 -2.67 1.43 -1.21 -5.07 118.68 107.24 3h2m s LEU 229 Ca 0.09 -0.43 -0.12 0.00 -1.03 0.00 0.00 54.13 52.64 3h2m s LEU 229 Cb -0.04 -0.80 0.12 0.00 0.03 0.00 0.00 46.19 45.50 3h2m s LEU 229 CO 0.89 0.13 1.16 -2.16 0.23 0.00 0.00 176.35 176.60 3h2m s PRO 230 N -0.91 1.40 0.57 1.29 0.04 -1.26 -4.29 135.00 131.84 3h2m s PRO 230 Ca 0.05 0.19 0.28 0.00 0.04 0.00 0.00 61.00 61.56 3h2m s PRO 230 Cb -0.08 -1.88 1.49 0.00 0.04 0.00 0.00 34.50 34.07 3h2m s PRO 230 CO 0.01 -2.00 1.96 -0.24 0.04 0.00 0.00 177.00 176.77 3h2m h VAL 231 N -1.35 0.50 -0.00 -0.36 3.04 -1.98 0.12 116.25 116.22 3h2m h VAL 231 Ca -0.48 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 3h2m h VAL 231 Cb 1.33 0.68 0.00 0.00 -2.01 0.00 0.00 31.29 31.29 3h2m h VAL 231 CO 0.62 0.00 -0.24 -1.84 -1.01 0.00 0.00 177.57 175.11 3h2m n GLU 232 N -3.96 0.59 -0.83 4.17 0.00 -1.26 -3.93 120.64 115.42 3h2m n GLU 232 Ca 0.09 -0.29 -0.05 0.00 0.00 0.00 0.00 57.16 56.90 3h2m n GLU 232 Cb 0.62 -1.49 0.20 0.00 0.00 0.00 0.00 31.44 30.77 3h2m n GLU 232 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3h2m n GLU 233 N -0.95 2.00 -0.33 3.44 -0.58 0.41 -4.73 120.64 119.90 3h2m n GLU 233 Ca 0.11 -3.14 0.07 0.00 -0.42 0.00 0.00 57.16 53.79 3h2m n GLU 233 Cb 0.32 -1.86 0.19 0.00 -0.57 0.00 0.00 31.44 29.52 3h2m n GLU 233 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3h2m n ARG 234 N -1.06 1.81 0.03 3.49 1.74 -1.25 -4.75 116.66 116.66 3h2m n ARG 234 Ca 0.35 -2.82 -0.19 0.00 -0.77 0.00 0.00 57.85 54.42 3h2m n ARG 234 Cb 1.10 -1.64 -0.10 0.00 -1.02 0.00 0.00 32.46 30.79 3h2m n ARG 234 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3h2m h LEU 235 N 0.72 0.81 -0.29 0.55 6.46 -1.89 -0.62 115.31 121.06 3h2m h LEU 235 Ca 0.03 -0.74 -0.02 0.00 -0.12 0.00 0.00 57.88 57.03 3h2m h LEU 235 Cb 1.19 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 40.86 3h2m h LEU 235 CO 0.10 1.44 0.12 -0.33 -0.62 0.00 0.00 178.44 179.15 3h2m h GLU 236 N 0.26 0.43 -0.32 1.25 3.07 -1.99 -1.27 114.58 116.02 3h2m h GLU 236 Ca -0.11 -0.08 0.06 0.00 -0.50 0.00 0.00 59.36 58.73 3h2m h GLU 236 Cb 1.57 -0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 29.36 3h2m h GLU 236 CO 0.18 0.45 0.00 0.78 -1.40 0.00 0.00 179.01 179.02 3h2m h GLY 237 N 0.32 0.31 0.52 -3.84 0.00 -1.87 -1.63 103.07 96.88 3h2m h GLY 237 Ca 0.10 0.03 0.06 0.00 0.00 0.00 0.00 47.33 47.52 3h2m h GLY 237 CO -0.01 -0.07 0.04 -0.84 0.00 0.00 0.00 176.54 175.67 3h2m h THR 238 N 0.09 0.79 -0.41 4.70 2.02 -1.05 -2.36 112.91 116.69 3h2m h THR 238 Ca 0.15 -0.05 0.07 0.00 0.77 0.00 0.00 66.41 67.35 3h2m h THR 238 Cb 0.21 0.62 -0.06 0.00 -1.74 0.00 0.00 68.15 67.18 3h2m h THR 238 CO -0.26 0.03 0.06 1.23 0.37 0.00 0.00 175.52 176.95 3h2m h GLY 239 N 0.15 0.47 0.39 2.16 0.00 -0.95 -0.60 103.07 104.69 3h2m h GLY 239 Ca 0.17 -0.01 0.11 0.00 0.00 0.00 0.00 47.33 47.61 3h2m h GLY 239 CO -0.25 -0.06 0.41 0.00 0.00 0.00 0.00 176.54 176.64 3h2m h ALA 240 N 1.32 1.12 -0.42 3.60 0.00 -0.95 0.08 119.26 124.02 3h2m h ALA 240 Ca 0.20 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 3h2m h ALA 240 Cb 0.25 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3h2m h ALA 240 CO -0.28 -0.03 -0.08 1.79 0.00 0.00 0.00 179.25 180.65 3h2m h THR 241 N 0.65 1.27 -0.86 0.00 1.35 -0.80 -0.89 112.91 113.63 3h2m h THR 241 Ca 0.40 -1.17 -0.00 0.00 -0.55 0.00 0.00 66.41 65.09 3h2m h THR 241 Cb 0.47 1.17 -0.04 0.00 -1.73 0.00 0.00 68.15 68.02 3h2m h THR 241 CO -0.30 0.39 0.53 0.58 -0.25 0.00 0.00 175.52 176.48 3h2m h VAL 242 N 0.61 1.23 -0.22 6.82 2.07 -0.85 0.18 116.25 126.09 3h2m h VAL 242 Ca 0.11 -0.49 -0.07 0.00 0.82 0.00 0.00 66.70 67.06 3h2m h VAL 242 Cb 0.60 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 3h2m h VAL 242 CO 0.04 0.24 -0.14 0.00 0.02 0.00 0.00 177.57 177.73 3h2m h LEU 244 N 0.18 0.88 -1.38 0.00 5.85 -0.98 -1.05 115.31 118.82 3h2m h LEU 244 Ca 0.05 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.48 3h2m h LEU 244 Cb 0.65 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 3h2m h LEU 244 CO 0.04 0.95 0.37 1.23 -0.34 0.00 0.00 178.44 180.69 3h2m h GLY 245 N 0.78 0.84 1.16 3.75 0.00 -0.77 0.16 103.07 108.99 3h2m h GLY 245 Ca 0.15 -0.33 -0.25 0.00 0.00 0.00 0.00 47.33 46.91 3h2m h GLY 245 CO 0.02 0.32 -0.94 -2.22 0.00 0.00 0.00 176.54 173.71 3h2m h ILE 246 N 0.80 1.29 -0.39 2.60 2.04 -0.89 -2.21 117.51 120.75 3h2m h ILE 246 Ca 0.21 -2.16 -0.06 0.00 1.00 0.00 0.00 64.86 63.85 3h2m h ILE 246 Cb -0.06 2.31 -0.02 0.00 -0.74 0.00 0.00 36.82 38.31 3h2m h ILE 246 CO -0.04 0.67 -0.00 -0.08 0.00 0.00 0.00 178.15 178.70 3h2m h GLU 247 N 0.38 0.63 0.00 2.37 4.22 -0.79 -0.59 114.58 120.80 3h2m h GLU 247 Ca -0.11 -0.15 0.00 0.00 0.08 0.00 0.00 59.36 59.18 3h2m h GLU 247 Cb 1.60 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.76 3h2m h GLU 247 CO 0.19 0.65 0.00 1.63 -2.18 0.00 0.00 179.01 179.30 3h2m n LYS 248 N -4.25 0.58 -0.20 1.92 5.02 0.53 -4.90 118.16 116.87 3h2m n LYS 248 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 3h2m n LYS 248 Cb 0.27 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 3h2m n LYS 248 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h2m n GLY 249 N 0.13 0.88 3.82 0.72 0.00 -0.23 -4.19 105.19 106.33 3h2m n GLY 249 Ca 0.10 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 3h2m n GLY 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2m n GLU 251 N -1.11 0.67 -4.14 0.00 4.71 0.62 -4.77 120.64 116.61 3h2m n GLU 251 Ca 0.07 -0.08 -0.11 0.00 -0.01 0.00 0.00 57.16 57.03 3h2m n GLU 251 Cb 0.54 -1.55 -0.10 0.00 -1.01 0.00 0.00 31.44 29.31 3h2m n GLU 251 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 3h2m s PHE 252 N -3.03 0.83 -0.01 -0.32 0.40 -0.97 -0.39 117.98 114.49 3h2m s PHE 252 Ca -0.08 -0.78 0.01 0.00 -0.60 0.00 0.00 56.93 55.48 3h2m s PHE 252 Cb 0.10 -0.48 0.01 0.00 0.51 0.00 0.00 43.02 43.15 3h2m s PHE 252 CO 0.87 -0.12 -0.02 0.14 0.70 0.00 0.00 175.22 176.79 3h2m s VAL 253 N -2.89 0.18 -0.36 -0.44 -7.23 -0.70 -1.42 120.40 107.53 3h2m s VAL 253 Ca 0.05 -0.04 -0.10 0.00 -1.81 0.00 0.00 61.98 60.07 3h2m s VAL 253 Cb 0.00 -0.19 0.03 0.00 0.56 0.00 0.00 36.38 36.78 3h2m s VAL 253 CO -0.03 0.08 0.19 -0.60 -0.31 0.00 0.00 175.10 174.43 3h2m s ARG 254 N 0.27 2.86 0.07 4.82 3.52 -0.09 -0.32 118.95 130.07 3h2m s ARG 254 Ca -0.02 -1.05 0.03 0.00 -0.13 0.00 0.00 55.73 54.55 3h2m s ARG 254 Cb -0.05 -3.68 -0.03 0.00 -1.56 0.00 0.00 34.95 29.63 3h2m s ARG 254 CO -0.01 -0.66 -0.09 0.14 -0.81 0.00 0.00 175.30 173.87 3h2m s VAL 255 N 1.54 0.71 -0.09 7.11 -7.23 0.12 -4.17 120.40 118.39 3h2m s VAL 255 Ca 0.02 -1.39 -0.12 0.00 -1.81 0.00 0.00 61.98 58.68 3h2m s VAL 255 Cb -0.19 -1.03 -0.28 0.00 0.56 0.00 0.00 36.38 35.44 3h2m s VAL 255 CO 0.06 -0.50 0.52 0.45 -0.31 0.00 0.00 175.10 175.32 3h2m h HIS 256 N 3.97 0.54 -2.16 2.82 3.86 -1.89 -2.17 115.15 120.11 3h2m h HIS 256 Ca -0.37 -0.39 -0.74 0.00 -1.16 0.00 0.00 60.37 57.72 3h2m h HIS 256 Cb 1.19 -0.02 -0.18 0.00 1.06 0.00 0.00 27.41 29.46 3h2m h HIS 256 CO 0.63 1.67 1.36 -0.51 0.86 0.00 0.00 177.93 181.94 3h2m s ASP 257 N -7.13 7.07 0.08 2.45 1.11 -1.26 -4.83 116.67 114.17 3h2m s ASP 257 Ca -0.20 -2.99 -0.24 0.00 0.18 0.00 0.00 52.55 49.31 3h2m s ASP 257 Cb 0.05 -2.40 -0.16 0.00 1.07 0.00 0.00 42.92 41.49 3h2m s ASP 257 CO 0.79 -0.75 1.69 0.58 1.18 0.00 0.00 175.17 178.66 3h2m h VAL 258 N 4.67 1.02 -0.47 -1.27 2.07 -1.93 -1.80 116.25 118.55 3h2m h VAL 258 Ca 0.32 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.75 3h2m h VAL 258 Cb 0.87 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 3h2m h VAL 258 CO 1.25 0.03 0.23 0.50 0.02 0.00 0.00 177.57 179.60 3h2m h LYS 259 N -0.08 0.45 0.04 1.57 3.64 -1.89 -0.41 116.57 119.89 3h2m h LYS 259 Ca -0.00 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3h2m h LYS 259 Cb 0.07 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3h2m h LYS 259 CO 0.00 0.30 -0.02 0.93 -2.27 0.00 0.00 179.45 178.39 3h2m h GLU 260 N 0.46 -0.05 0.00 1.90 3.07 -1.87 -2.81 114.58 115.28 3h2m h GLU 260 Ca 0.20 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.98 3h2m h GLU 260 Cb 0.11 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 3h2m h GLU 260 CO -0.15 0.29 -0.40 0.52 -1.40 0.00 0.00 179.01 177.87 3h2m h MET 261 N -0.39 0.00 -0.16 2.33 2.86 -1.24 -1.74 114.93 116.59 3h2m h MET 261 Ca -0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3h2m h MET 261 Cb 0.36 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 3h2m h MET 261 CO 0.01 0.40 0.07 0.77 1.06 0.00 0.00 176.91 179.23 3h2m h SER 262 N 0.00 0.22 -0.53 1.22 0.02 -1.07 0.16 113.55 113.56 3h2m h SER 262 Ca -0.00 -0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 60.76 3h2m h SER 262 Cb 0.79 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.25 3h2m h SER 262 CO 0.05 0.30 0.14 0.03 -1.14 0.00 0.00 176.83 176.21 3h2m h ARG 263 N 0.13 0.88 0.08 3.45 3.08 -1.25 -1.43 114.38 119.33 3h2m h ARG 263 Ca 0.06 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 3h2m h ARG 263 Cb 0.14 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3h2m h ARG 263 CO -0.01 0.79 -0.04 0.52 -1.07 0.00 0.00 179.97 180.16 3h2m h MET 264 N 0.85 -0.11 -0.77 0.04 2.86 -1.13 -1.19 114.93 115.48 3h2m h MET 264 Ca 0.19 0.01 0.13 0.00 -2.06 0.00 0.00 59.70 57.96 3h2m h MET 264 Cb 0.30 0.02 -0.09 0.00 0.06 0.00 0.00 31.60 31.90 3h2m h MET 264 CO -0.00 0.21 0.36 0.00 1.06 0.00 0.00 176.91 178.54 3h2m h ALA 265 N 0.44 1.10 -0.41 6.32 0.00 -0.68 0.69 119.26 126.73 3h2m h ALA 265 Ca -0.01 0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 3h2m h ALA 265 Cb 0.37 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3h2m h ALA 265 CO 0.02 -0.11 -0.34 -0.22 0.00 0.00 0.00 179.25 178.60 3h2m h LYS 266 N 0.56 0.93 -0.42 0.00 3.64 -1.14 0.13 116.57 120.26 3h2m h LYS 266 Ca 0.41 -0.46 -0.08 0.00 -1.27 0.00 0.00 60.65 59.25 3h2m h LYS 266 Cb 0.54 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 3h2m h LYS 266 CO -0.34 1.12 -0.04 1.98 -2.27 0.00 0.00 179.45 179.90 3h2m h MET 267 N 0.77 0.77 0.44 1.90 4.05 -0.68 -2.34 114.93 119.85 3h2m h MET 267 Ca 0.07 -0.27 -0.01 0.00 -0.28 0.00 0.00 59.70 59.22 3h2m h MET 267 Cb 0.92 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.64 3h2m h MET 267 CO 0.09 0.87 -0.47 0.52 0.23 0.00 0.00 176.91 178.14 3h2m h MET 268 N 0.60 -0.89 -0.97 0.39 2.86 -0.59 -2.01 114.93 114.32 3h2m h MET 268 Ca 0.12 0.06 0.31 0.00 -2.06 0.00 0.00 59.70 58.13 3h2m h MET 268 Cb 0.54 0.20 -0.17 0.00 0.06 0.00 0.00 31.60 32.24 3h2m h MET 268 CO 0.03 -0.60 0.27 -0.44 1.06 0.00 0.00 176.91 177.24 3h2m h ASP 269 N -0.93 -0.05 0.28 1.22 3.45 -0.78 0.27 116.42 119.88 3h2m h ASP 269 Ca -0.05 0.25 -0.16 0.00 0.43 0.00 0.00 57.03 57.50 3h2m h ASP 269 Cb 0.82 0.34 -0.01 0.00 -0.56 0.00 0.00 39.33 39.92 3h2m h ASP 269 CO -0.08 -0.31 -0.66 0.00 -1.57 0.00 0.00 179.24 176.62 3h2m h ALA 270 N 1.93 0.71 0.02 3.45 0.00 -1.00 -0.67 119.26 123.71 3h2m h ALA 270 Ca 0.67 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3h2m h ALA 270 Cb 1.54 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.25 3h2m h ALA 270 CO -0.79 0.74 -0.01 0.52 0.00 0.00 0.00 179.25 179.71 3h2m h MET 271 N 0.25 -0.03 0.00 0.00 2.86 0.10 -3.17 114.93 114.95 3h2m h MET 271 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3h2m h MET 271 Cb 1.20 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.86 3h2m h MET 271 CO 0.11 0.65 0.00 0.44 1.06 0.00 0.00 176.91 179.17 3h2m n ILE 272 N -4.76 0.88 -0.88 -1.22 -5.35 0.42 -4.88 119.36 103.57 3h2m n ILE 272 Ca -0.09 0.21 0.00 0.00 -0.27 0.00 0.00 62.75 62.61 3h2m n ILE 272 Cb 0.34 -1.01 0.00 0.00 -1.74 0.00 0.00 39.64 37.23 3h2m n ILE 272 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3h2m n GLY 273 N 0.12 0.58 0.00 3.28 0.00 -0.37 -5.06 105.19 103.74 3h2m n GLY 273 Ca 0.03 -0.80 0.05 0.00 0.00 0.00 0.00 46.02 45.31 3h2m n GLY 273 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49