#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h24 s TRP 3 N 0.00 3.55 -0.95 5.64 0.52 -1.26 -4.94 118.94 121.50 3h24 s TRP 3 Ca 0.00 1.53 0.14 0.00 0.02 0.00 0.00 56.10 57.78 3h24 s TRP 3 Cb 0.00 -3.31 0.62 0.00 -1.15 0.00 0.00 33.47 29.63 3h24 s TRP 3 CO 0.00 -0.77 1.49 -0.40 0.02 0.00 0.00 176.95 177.30 3h24 n ASP 4 N 2.81 4.30 -3.98 2.95 3.85 -1.26 -4.92 116.55 120.30 3h24 n ASP 4 Ca 0.04 -2.50 -0.10 0.00 -0.71 0.00 0.00 54.79 51.53 3h24 n ASP 4 Cb 0.46 -0.57 -0.06 0.00 -1.35 0.00 0.00 41.12 39.61 3h24 n ASP 4 CO 0.00 0.00 0.00 -0.72 -1.01 0.00 0.00 177.20 175.47 3h24 s TYR 5 N -2.01 0.58 0.18 2.11 -0.85 -1.26 -5.18 117.35 110.93 3h24 s TYR 5 Ca 0.43 -0.90 0.10 0.00 -0.52 0.00 0.00 57.07 56.18 3h24 s TYR 5 Cb 0.29 0.02 -0.04 0.00 0.38 0.00 0.00 41.96 42.61 3h24 s TYR 5 CO 0.18 -0.94 -0.16 -0.51 -1.52 0.00 0.00 175.55 172.60 3h24 s ASP 6 N -3.06 3.88 -0.46 -0.18 1.01 -1.26 -4.56 116.67 112.04 3h24 s ASP 6 Ca 0.26 -0.70 -0.22 0.00 0.71 0.00 0.00 52.55 52.61 3h24 s ASP 6 Cb 0.01 -0.51 0.03 0.00 1.01 0.00 0.00 42.92 43.46 3h24 s ASP 6 CO 0.11 0.12 0.72 -0.22 0.21 0.00 0.00 175.17 176.10 3h24 s LEU 7 N -2.70 4.42 -0.06 1.23 1.98 -0.56 -4.91 118.68 118.08 3h24 s LEU 7 Ca 0.23 -0.32 -0.24 0.00 -2.89 0.00 0.00 54.13 50.91 3h24 s LEU 7 Cb -0.09 -2.79 -0.03 0.00 0.66 0.00 0.00 46.19 43.94 3h24 s LEU 7 CO 0.12 -0.88 0.74 -0.13 -1.89 0.00 0.00 176.35 174.31 3h24 s ARG 8 N 3.07 4.44 -0.42 1.98 1.81 -1.26 0.04 118.95 128.61 3h24 s ARG 8 Ca 0.25 0.95 0.07 0.00 -1.72 0.00 0.00 55.73 55.27 3h24 s ARG 8 Cb -0.14 -3.46 0.22 0.00 -0.45 0.00 0.00 34.95 31.13 3h24 s ARG 8 CO 0.20 0.03 0.54 0.00 -0.68 0.00 0.00 175.30 175.38 3h24 n GLY 10 N 1.96 3.59 0.15 0.00 0.00 -1.26 -1.91 105.19 107.71 3h24 n GLY 10 Ca 0.22 -0.06 -0.01 0.00 0.00 0.00 0.00 46.02 46.16 3h24 n GLY 10 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3h24 h GLU 11 N 0.00 0.02 -6.32 1.61 4.11 -2.01 -3.45 114.58 108.54 3h24 h GLU 11 Ca 0.00 -0.02 -0.56 0.00 0.07 0.00 0.00 59.36 58.85 3h24 h GLU 11 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 3h24 h GLU 11 CO 0.00 0.60 -0.02 0.71 0.07 0.00 0.00 179.01 180.37 3h24 s TYR 12 N -3.70 3.72 -0.09 2.06 1.51 -0.80 -5.08 117.35 114.97 3h24 s TYR 12 Ca -0.02 1.23 0.01 0.00 -1.01 0.00 0.00 57.07 57.29 3h24 s TYR 12 Cb 0.13 -2.48 -0.02 0.00 -0.11 0.00 0.00 41.96 39.48 3h24 s TYR 12 CO 0.76 0.50 -0.13 0.99 -1.11 0.00 0.00 175.55 176.56 3h24 s THR 13 N -1.29 3.07 -0.28 -0.71 2.01 -1.26 -0.33 115.64 116.85 3h24 s THR 13 Ca 0.34 -0.69 -0.01 0.00 0.31 0.00 0.00 61.69 61.65 3h24 s THR 13 Cb -0.18 -2.25 0.05 0.00 0.01 0.00 0.00 72.50 70.13 3h24 s THR 13 CO 0.20 0.55 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.88 3h24 s LEU 14 N -0.14 3.60 0.15 4.42 1.43 0.11 -4.96 118.68 123.29 3h24 s LEU 14 Ca -0.01 -1.19 -0.30 0.00 -1.03 0.00 0.00 54.13 51.59 3h24 s LEU 14 Cb -0.14 -1.66 -0.07 0.00 0.03 0.00 0.00 46.19 44.35 3h24 s LEU 14 CO 0.03 -0.21 1.14 0.21 0.23 0.00 0.00 176.35 177.75 3h24 s ASN 15 N 1.24 7.19 0.00 2.29 3.84 -1.26 -1.50 114.94 126.74 3h24 s ASN 15 Ca -0.05 2.09 0.22 0.00 0.21 0.00 0.00 52.86 55.34 3h24 s ASN 15 Cb -0.19 -2.60 -0.04 0.00 -0.55 0.00 0.00 41.25 37.88 3h24 s ASN 15 CO -0.03 -0.31 1.05 0.18 -2.79 0.00 0.00 177.10 175.20 3h24 n LEU 16 N 2.77 1.47 -0.03 3.21 4.77 -1.26 -4.45 117.00 123.48 3h24 n LEU 16 Ca 0.04 -0.59 0.04 0.00 -0.03 0.00 0.00 56.01 55.48 3h24 n LEU 16 Cb 0.46 -0.02 -0.14 0.00 -2.33 0.00 0.00 43.42 41.39 3h24 n LEU 16 CO 0.54 0.30 -0.81 0.59 -1.33 0.00 0.00 177.39 176.69 3h24 n ASN 17 N -0.75 0.80 0.09 -1.43 3.02 -1.26 -4.64 115.26 111.10 3h24 n ASN 17 Ca 0.07 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.55 3h24 n ASN 17 Cb 0.40 1.59 0.01 0.00 -0.61 0.00 0.00 39.78 41.16 3h24 n ASN 17 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 3h24 h GLU 18 N 0.00 0.15 -2.57 3.52 4.11 -1.83 -3.47 114.58 114.49 3h24 h GLU 18 Ca -0.13 -0.16 0.04 0.00 0.07 0.00 0.00 59.36 59.18 3h24 h GLU 18 Cb 1.17 0.05 -0.14 0.00 0.50 0.00 0.00 28.75 30.32 3h24 h GLU 18 CO 0.01 0.91 0.35 -1.59 0.07 0.00 0.00 179.01 178.76 3h24 s LYS 19 N -3.23 1.03 0.23 1.06 -2.85 -1.26 -4.96 119.74 109.77 3h24 s LYS 19 Ca -0.02 -0.34 -0.31 0.00 -1.00 0.00 0.00 55.97 54.30 3h24 s LYS 19 Cb 0.10 0.48 -0.11 0.00 -2.06 0.00 0.00 37.83 36.24 3h24 s LYS 19 CO 0.82 -0.44 1.65 0.99 0.10 0.00 0.00 175.35 178.47 3h24 s THR 20 N -3.25 2.14 -0.04 3.79 2.01 -1.26 -4.91 115.64 114.13 3h24 s THR 20 Ca 0.02 0.11 -0.19 0.00 0.31 0.00 0.00 61.69 61.94 3h24 s THR 20 Cb -0.01 -3.07 -0.05 0.00 0.01 0.00 0.00 72.50 69.38 3h24 s THR 20 CO -0.10 0.01 0.54 -0.76 -0.69 0.00 0.00 174.62 173.62 3h24 s LEU 21 N 0.58 4.38 -0.27 4.42 1.43 -0.35 -4.94 118.68 123.93 3h24 s LEU 21 Ca 0.70 1.04 -0.11 0.00 -1.03 0.00 0.00 54.13 54.73 3h24 s LEU 21 Cb -0.48 -2.81 -0.05 0.00 0.03 0.00 0.00 46.19 42.88 3h24 s LEU 21 CO 0.37 0.10 0.17 -0.63 0.23 0.00 0.00 176.35 176.60 3h24 s ILE 22 N -0.08 5.23 -0.22 -0.59 -1.09 -1.26 -1.60 121.20 121.60 3h24 s ILE 22 Ca 0.29 0.14 -0.09 0.00 -2.23 0.00 0.00 60.65 58.76 3h24 s ILE 22 Cb -0.17 -3.48 -0.05 0.00 -1.58 0.00 0.00 42.46 37.18 3h24 s ILE 22 CO 0.15 0.27 0.12 -0.32 -1.23 0.00 0.00 174.94 173.93 3h24 s MET 23 N 1.62 4.01 -0.17 2.79 -2.45 -0.11 0.48 119.30 125.48 3h24 s MET 23 Ca 0.07 -0.31 -0.09 0.00 -1.25 0.00 0.00 55.69 54.11 3h24 s MET 23 Cb -0.15 -3.42 -0.05 0.00 1.25 0.00 0.00 34.83 32.46 3h24 s MET 23 CO 0.09 0.11 0.13 0.20 1.05 0.00 0.00 175.02 176.60 3h24 s GLY 24 N 0.89 2.08 -0.36 2.11 0.00 0.42 -1.16 107.32 111.30 3h24 s GLY 24 Ca 0.06 -0.67 -0.23 0.00 0.00 0.00 0.00 44.72 43.88 3h24 s GLY 24 CO 0.03 -0.07 0.75 -0.42 0.00 0.00 0.00 173.10 173.39 3h24 s ILE 25 N -0.18 4.77 0.05 0.90 1.01 -0.72 -1.32 121.20 125.72 3h24 s ILE 25 Ca 0.11 0.84 -0.31 0.00 0.00 0.00 0.00 60.65 61.29 3h24 s ILE 25 Cb -0.11 -4.18 -0.05 0.00 0.01 0.00 0.00 42.46 38.12 3h24 s ILE 25 CO 0.00 -0.40 1.20 -0.22 0.00 0.00 0.00 174.94 175.52 3h24 s LEU 26 N 3.01 4.36 -0.29 2.97 2.96 -0.48 -4.84 118.68 126.37 3h24 s LEU 26 Ca 0.30 1.99 -0.36 0.00 -0.22 0.00 0.00 54.13 55.84 3h24 s LEU 26 Cb -0.13 -3.58 -0.12 0.00 0.50 0.00 0.00 46.19 42.85 3h24 s LEU 26 CO 0.16 -0.47 2.04 0.59 -1.32 0.00 0.00 176.35 177.35 3h24 n ASN 27 N 4.03 2.41 -4.88 3.68 4.13 -1.26 -4.70 115.26 118.67 3h24 n ASN 27 Ca 0.09 0.66 -0.33 0.00 1.68 0.00 0.00 54.58 56.68 3h24 n ASN 27 Cb 0.46 -1.25 -0.05 0.00 -1.54 0.00 0.00 39.78 37.40 3h24 n ASN 27 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3h24 s VAL 28 N 5.93 5.07 -0.68 2.41 0.11 -1.26 -4.82 120.40 127.16 3h24 s VAL 28 Ca 1.04 0.31 -0.19 0.00 -2.93 0.00 0.00 61.98 60.21 3h24 s VAL 28 Cb -0.88 -3.63 0.11 0.00 -1.53 0.00 0.00 36.38 30.45 3h24 s VAL 28 CO 0.53 0.09 0.83 1.51 -3.33 0.00 0.00 175.10 174.73 3h24 s ASP 35 N -2.19 6.30 -0.05 3.54 -4.77 -1.26 -5.11 116.67 113.14 3h24 s ASP 35 Ca 0.40 -1.56 -0.03 0.00 -3.30 0.00 0.00 52.55 48.07 3h24 s ASP 35 Cb -0.13 -2.33 0.01 0.00 -1.09 0.00 0.00 42.92 39.38 3h24 s ASP 35 CO 0.22 -1.13 0.06 0.61 0.70 0.00 0.00 175.17 175.63 3h24 n GLY 36 N 5.22 -3.52 0.00 2.12 0.00 -1.26 -4.80 105.19 102.95 3h24 n GLY 36 Ca -0.01 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3h24 n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h24 n GLY 37 N 0.41 2.74 3.35 -0.02 0.00 -1.26 -4.76 105.19 105.66 3h24 n GLY 37 Ca -0.10 -0.98 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 3h24 n GLY 37 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h24 n SER 38 N 0.00 -2.26 -0.16 1.61 3.41 -1.26 -4.70 113.62 110.26 3h24 n SER 38 Ca 0.00 0.83 -0.01 0.00 -0.26 0.00 0.00 58.87 59.43 3h24 n SER 38 Cb 0.00 -0.96 0.23 0.00 -0.26 0.00 0.00 64.21 63.21 3h24 n SER 38 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 3h24 h TYR 39 N 0.43 0.87 0.20 7.33 3.20 -1.99 -2.12 116.97 124.89 3h24 h TYR 39 Ca -0.38 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.44 3h24 h TYR 39 Cb 1.43 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.43 3h24 h TYR 39 CO 0.31 0.65 -0.10 -0.91 -1.64 0.00 0.00 178.16 176.47 3h24 h ASN 40 N 0.88 -0.23 0.14 -2.11 2.35 -1.99 0.14 115.58 114.76 3h24 h ASN 40 Ca 0.21 -0.10 0.02 0.00 -0.55 0.00 0.00 56.30 55.88 3h24 h ASN 40 Cb 0.11 0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.50 3h24 h ASN 40 CO -0.03 -0.03 -0.32 -0.33 -1.65 0.00 0.00 177.43 175.07 3h24 h GLU 41 N -0.41 -0.54 -0.06 0.81 5.08 -1.86 -1.16 114.58 116.44 3h24 h GLU 41 Ca -0.03 0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 3h24 h GLU 41 Cb 0.32 0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.69 3h24 h GLU 41 CO 0.04 -0.36 -0.41 0.28 -1.00 0.00 0.00 179.01 177.57 3h24 h VAL 42 N -0.56 1.42 -0.78 3.13 2.07 -1.45 -2.16 116.25 117.92 3h24 h VAL 42 Ca 0.03 -1.84 0.17 0.00 0.82 0.00 0.00 66.70 65.88 3h24 h VAL 42 Cb 0.58 2.39 -0.14 0.00 -1.52 0.00 0.00 31.29 32.60 3h24 h VAL 42 CO -0.18 0.53 -0.09 -0.78 0.02 0.00 0.00 177.57 177.08 3h24 h ASP 43 N -0.12 -0.53 0.48 0.57 3.58 -1.00 -1.19 116.42 118.22 3h24 h ASP 43 Ca -0.04 0.22 -0.11 0.00 0.42 0.00 0.00 57.03 57.53 3h24 h ASP 43 Cb 1.08 0.42 -0.01 0.00 1.72 0.00 0.00 39.33 42.54 3h24 h ASP 43 CO 0.08 -0.23 -0.51 0.00 -2.88 0.00 0.00 179.24 175.70 3h24 h ALA 44 N 1.76 1.13 0.03 -0.78 0.00 -0.60 -0.89 119.26 119.92 3h24 h ALA 44 Ca 0.41 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3h24 h ALA 44 Cb 0.70 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3h24 h ALA 44 CO -0.75 0.64 -0.02 0.00 0.00 0.00 0.00 179.25 179.13 3h24 h ALA 45 N 1.46 -0.05 -0.24 0.00 0.00 -1.05 -2.30 119.26 117.08 3h24 h ALA 45 Ca -0.00 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 54.68 3h24 h ALA 45 Cb 0.91 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 3h24 h ALA 45 CO 0.07 -0.22 -0.36 0.28 0.00 0.00 0.00 179.25 179.01 3h24 h VAL 46 N -0.65 0.21 -0.81 0.00 2.07 -1.07 0.48 116.25 116.48 3h24 h VAL 46 Ca -0.00 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.70 3h24 h VAL 46 Cb 0.59 0.21 -0.12 0.00 -1.52 0.00 0.00 31.29 30.45 3h24 h VAL 46 CO 0.01 0.00 0.27 0.03 0.02 0.00 0.00 177.57 177.90 3h24 h ARG 47 N -0.37 0.32 -0.09 1.57 3.08 -1.18 0.20 114.38 117.90 3h24 h ARG 47 Ca 0.12 -0.02 -0.16 0.00 0.07 0.00 0.00 59.98 59.99 3h24 h ARG 47 Cb 0.57 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.56 3h24 h ARG 47 CO -0.44 0.21 -0.56 1.25 -1.07 0.00 0.00 179.97 179.35 3h24 h HIS 48 N 0.33 0.74 -0.95 3.04 2.76 -0.92 -0.94 115.15 119.20 3h24 h HIS 48 Ca 0.48 -0.34 0.08 0.00 -2.20 0.00 0.00 60.37 58.40 3h24 h HIS 48 Cb 0.87 -0.11 -0.07 0.00 1.55 0.00 0.00 27.41 29.65 3h24 h HIS 48 CO -0.21 1.13 0.60 0.00 -1.30 0.00 0.00 177.93 178.14 3h24 h ALA 49 N 0.46 1.35 -0.49 5.26 0.00 -0.12 -0.06 119.26 125.66 3h24 h ALA 49 Ca -0.04 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3h24 h ALA 49 Cb 1.21 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3h24 h ALA 49 CO 0.12 0.31 0.02 0.87 0.00 0.00 0.00 179.25 180.56 3h24 h LYS 50 N 1.04 0.81 -0.07 0.00 1.57 -0.17 -0.88 116.57 118.86 3h24 h LYS 50 Ca 0.43 -0.21 -0.23 0.00 -1.87 0.00 0.00 60.65 58.78 3h24 h LYS 50 Cb 0.28 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.50 3h24 h LYS 50 CO -0.21 0.80 -0.86 1.49 -0.57 0.00 0.00 179.45 180.10 3h24 h GLU 51 N 0.76 0.63 -0.18 3.15 4.81 0.24 -0.57 114.58 123.42 3h24 h GLU 51 Ca 0.15 -0.57 -0.16 0.00 -0.13 0.00 0.00 59.36 58.65 3h24 h GLU 51 Cb 0.43 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 3h24 h GLU 51 CO 0.02 1.19 -0.55 0.52 -0.73 0.00 0.00 179.01 179.46 3h24 h MET 52 N 0.40 0.53 -0.26 1.92 2.86 -0.83 -0.46 114.93 119.09 3h24 h MET 52 Ca -0.07 -0.34 0.03 0.00 -2.06 0.00 0.00 59.70 57.26 3h24 h MET 52 Cb 1.49 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 33.15 3h24 h MET 52 CO 0.16 0.94 0.06 -0.09 1.06 0.00 0.00 176.91 179.05 3h24 h ARG 53 N 0.41 0.16 0.00 1.72 1.12 -1.04 0.64 114.38 117.40 3h24 h ARG 53 Ca 0.01 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 3h24 h ARG 53 Cb 1.09 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 31.01 3h24 h ARG 53 CO 0.10 0.11 0.00 -0.44 -3.11 0.00 0.00 179.97 176.63 3h24 h ASP 54 N 0.17 0.00 -0.03 -3.80 3.32 -0.39 -3.00 116.42 112.68 3h24 h ASP 54 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3h24 h ASP 54 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3h24 h ASP 54 CO -0.14 0.00 -0.04 -0.62 -1.72 0.00 0.00 179.24 176.72 3h24 n GLU 55 N -2.68 1.92 0.00 3.56 1.02 0.15 -4.93 120.64 119.68 3h24 n GLU 55 Ca -0.01 -1.70 0.00 0.00 -0.02 0.00 0.00 57.16 55.43 3h24 n GLU 55 Cb 0.12 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 3h24 n GLU 55 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h24 n GLY 56 N 1.21 1.67 3.78 0.62 0.00 -0.83 -4.23 105.19 107.41 3h24 n GLY 56 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 3h24 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h24 s ALA 57 N -1.85 3.18 -0.28 4.61 0.00 -0.76 -4.67 121.76 121.98 3h24 s ALA 57 Ca 0.00 0.67 0.13 0.00 0.00 0.00 0.00 51.96 52.76 3h24 s ALA 57 Cb 0.00 -3.25 -0.18 0.00 0.00 0.00 0.00 23.12 19.69 3h24 s ALA 57 CO 0.00 -0.08 0.40 0.72 0.00 0.00 0.00 175.76 176.80 3h24 n HIS 58 N 0.34 0.00 -3.80 0.00 8.25 0.18 -4.69 115.22 115.49 3h24 n HIS 58 Ca 0.03 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.36 3h24 n HIS 58 Cb 0.49 -0.17 -0.13 0.00 1.12 0.00 0.00 29.99 31.30 3h24 n HIS 58 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3h24 s ILE 59 N -2.60 -0.01 -0.25 1.59 1.01 -0.97 -4.13 121.20 115.84 3h24 s ILE 59 Ca -0.01 0.04 -0.09 0.00 0.00 0.00 0.00 60.65 60.60 3h24 s ILE 59 Cb 0.09 -0.23 -0.04 0.00 0.01 0.00 0.00 42.46 42.29 3h24 s ILE 59 CO 0.54 0.02 0.12 -0.63 0.00 0.00 0.00 174.94 174.99 3h24 s ILE 60 N 0.34 4.87 -0.17 2.92 -1.09 -0.55 -0.43 121.20 127.09 3h24 s ILE 60 Ca -0.02 0.02 -0.08 0.00 -2.23 0.00 0.00 60.65 58.33 3h24 s ILE 60 Cb -0.03 -3.28 -0.04 0.00 -1.58 0.00 0.00 42.46 37.52 3h24 s ILE 60 CO -0.01 0.33 0.10 -0.62 -1.23 0.00 0.00 174.94 173.50 3h24 s ASP 61 N 1.40 5.95 -0.08 3.58 -1.08 -0.43 -0.57 116.67 125.44 3h24 s ASP 61 Ca 0.06 0.20 -0.01 0.00 -0.52 0.00 0.00 52.55 52.29 3h24 s ASP 61 Cb -0.15 -2.00 0.03 0.00 -1.46 0.00 0.00 42.92 39.34 3h24 s ASP 61 CO 0.06 0.23 -0.02 -0.63 0.52 0.00 0.00 175.17 175.32 3h24 s ILE 62 N 0.07 0.57 0.04 4.11 1.01 -0.59 -1.39 121.20 125.02 3h24 s ILE 62 Ca 0.07 -0.02 0.05 0.00 0.00 0.00 0.00 60.65 60.76 3h24 s ILE 62 Cb -0.12 -0.68 -0.02 0.00 0.01 0.00 0.00 42.46 41.65 3h24 s ILE 62 CO 0.00 0.29 -0.14 -0.83 0.00 0.00 0.00 174.94 174.25 3h24 s GLY 63 N 1.79 0.81 -0.10 6.18 0.00 -1.26 -1.08 107.32 113.66 3h24 s GLY 63 Ca 0.03 -0.86 0.04 0.00 0.00 0.00 0.00 44.72 43.93 3h24 s GLY 63 CO -0.05 -0.84 0.43 0.61 0.00 0.00 0.00 173.10 173.25 3h24 n GLY 64 N 1.81 -0.76 3.72 0.20 0.00 -1.26 -4.79 105.19 104.10 3h24 n GLY 64 Ca -0.18 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 3h24 n GLY 64 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3h24 s GLU 65 N -2.57 4.30 -0.08 1.61 1.03 -1.26 -5.04 118.70 116.69 3h24 s GLU 65 Ca -0.15 0.26 0.12 0.00 0.03 0.00 0.00 54.97 55.23 3h24 s GLU 65 Cb 0.07 -3.43 -0.24 0.00 -0.80 0.00 0.00 34.13 29.74 3h24 s GLU 65 CO 0.79 0.20 0.52 -1.13 -1.33 0.00 0.00 175.26 174.30 3h24 n SER 66 N 3.64 0.83 -0.31 0.83 3.41 -1.26 -5.17 113.62 115.59 3h24 n SER 66 Ca -0.10 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 3h24 n SER 66 Cb 0.52 0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 3h24 n SER 66 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3h24 n VAL 74 N -3.03 -1.78 -1.47 -3.33 0.31 -1.26 -5.30 118.33 102.46 3h24 n VAL 74 Ca -0.21 0.46 -0.30 0.00 -0.01 0.00 0.00 64.34 64.28 3h24 n VAL 74 Cb 1.07 -0.64 0.20 0.00 -0.91 0.00 0.00 33.84 33.56 3h24 n VAL 74 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3h24 s SER 75 N -2.34 2.27 0.14 4.52 1.04 -1.26 -4.83 113.70 113.24 3h24 s SER 75 Ca 0.00 0.59 -0.26 0.00 0.48 0.00 0.00 55.95 56.75 3h24 s SER 75 Cb 0.00 -0.84 -0.02 0.00 0.10 0.00 0.00 66.02 65.26 3h24 s SER 75 CO 0.00 -3.29 1.60 0.58 0.98 0.00 0.00 173.24 173.12 3h24 h VAL 76 N -2.01 0.24 0.00 5.02 2.07 -2.06 -2.86 116.25 116.65 3h24 h VAL 76 Ca -0.46 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 3h24 h VAL 76 Cb 1.28 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3h24 h VAL 76 CO 0.42 0.00 -0.15 -0.08 0.02 0.00 0.00 177.57 177.78 3h24 h GLU 77 N -0.40 0.00 -0.11 1.57 4.57 -2.01 -2.40 114.58 115.80 3h24 h GLU 77 Ca 0.10 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.21 3h24 h GLU 77 Cb 0.57 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 3h24 h GLU 77 CO -0.39 0.15 -0.21 0.93 -1.18 0.00 0.00 179.01 178.32 3h24 h GLU 78 N 0.00 0.34 -0.42 1.92 3.07 -1.90 -2.93 114.58 114.67 3h24 h GLU 78 Ca -0.00 -0.22 0.06 0.00 -0.50 0.00 0.00 59.36 58.70 3h24 h GLU 78 Cb 0.34 0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 28.22 3h24 h GLU 78 CO 0.02 0.81 0.10 1.49 -1.40 0.00 0.00 179.01 180.03 3h24 h GLU 79 N -0.09 0.23 -0.01 2.33 4.81 -1.21 -1.18 114.58 119.47 3h24 h GLU 79 Ca 0.01 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 3h24 h GLU 79 Cb 0.79 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.06 3h24 h GLU 79 CO 0.05 0.15 -0.35 0.82 -0.73 0.00 0.00 179.01 178.95 3h24 h ILE 80 N 0.24 0.26 -0.56 2.32 5.03 -1.56 0.44 117.51 123.68 3h24 h ILE 80 Ca 0.20 0.00 0.16 0.00 -0.12 0.00 0.00 64.86 65.10 3h24 h ILE 80 Cb 0.23 0.26 -0.02 0.00 -3.03 0.00 0.00 36.82 34.26 3h24 h ILE 80 CO -0.24 0.00 0.47 0.11 -0.68 0.00 0.00 178.15 177.81 3h24 h LYS 81 N -0.50 0.00 0.02 2.37 1.57 -1.20 -0.97 116.57 117.87 3h24 h LYS 81 Ca 0.06 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.46 3h24 h LYS 81 Cb 0.59 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.84 3h24 h LYS 81 CO -0.29 0.00 -2.34 -2.13 -0.57 0.00 0.00 179.45 174.13 3h24 n ARG 82 N -4.03 0.68 0.05 3.15 0.63 -0.35 -4.35 116.66 112.44 3h24 n ARG 82 Ca 0.11 0.14 -0.17 0.00 -0.92 0.00 0.00 57.85 57.01 3h24 n ARG 82 Cb 0.70 -1.57 -0.14 0.00 0.45 0.00 0.00 32.46 31.90 3h24 n ARG 82 CO 0.00 0.00 0.00 -0.24 -2.51 0.00 0.00 177.63 174.88 3h24 h VAL 83 N 0.01 1.06 -0.46 5.15 3.04 0.34 -3.38 116.25 122.01 3h24 h VAL 83 Ca -0.53 -2.73 -0.03 0.00 -1.01 0.00 0.00 66.70 62.40 3h24 h VAL 83 Cb 2.00 2.71 -0.02 0.00 -2.01 0.00 0.00 31.29 33.97 3h24 h VAL 83 CO -0.03 0.80 0.16 0.58 -1.01 0.00 0.00 177.57 178.08 3h24 h VAL 84 N 0.06 1.22 -0.52 1.51 2.07 -1.41 -2.43 116.25 116.76 3h24 h VAL 84 Ca -0.27 -0.71 0.12 0.00 0.82 0.00 0.00 66.70 66.66 3h24 h VAL 84 Cb 2.02 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 32.57 3h24 h VAL 84 CO 0.15 0.26 0.36 -0.65 0.02 0.00 0.00 177.57 177.70 3h24 h PRO 85 N 0.61 0.18 -0.29 1.57 0.11 -1.76 -2.14 132.00 130.28 3h24 h PRO 85 Ca 0.15 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.14 3h24 h PRO 85 Cb 0.24 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 3h24 h PRO 85 CO -0.01 0.12 -0.25 0.52 -0.21 0.00 0.00 178.00 178.17 3h24 h MET 86 N 0.18 0.68 -0.17 1.05 2.86 -1.64 -2.05 114.93 115.84 3h24 h MET 86 Ca 0.24 -0.35 0.05 0.00 -2.06 0.00 0.00 59.70 57.59 3h24 h MET 86 Cb 0.72 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.32 3h24 h MET 86 CO -0.04 0.96 -0.23 0.82 1.06 0.00 0.00 176.91 179.48 3h24 h ILE 87 N 0.43 0.44 0.04 -1.22 2.04 -1.14 0.74 117.51 118.84 3h24 h ILE 87 Ca 0.05 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.94 3h24 h ILE 87 Cb 0.82 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 37.28 3h24 h ILE 87 CO 0.06 0.00 -0.36 1.56 0.00 0.00 0.00 178.15 179.41 3h24 h GLN 88 N -0.27 -0.52 -0.58 2.37 4.20 -1.38 0.37 115.11 119.31 3h24 h GLN 88 Ca 0.11 0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.77 3h24 h GLN 88 Cb 0.44 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 3h24 h GLN 88 CO -0.33 -0.35 0.02 0.00 -0.67 0.00 0.00 178.83 177.51 3h24 h ALA 89 N 0.09 0.77 -0.15 3.87 0.00 -1.23 -2.13 119.26 120.49 3h24 h ALA 89 Ca 0.05 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 3h24 h ALA 89 Cb 0.61 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3h24 h ALA 89 CO -0.26 0.59 -0.19 0.28 0.00 0.00 0.00 179.25 179.66 3h24 h VAL 90 N 0.89 1.35 -0.86 0.00 2.07 -0.72 -0.82 116.25 118.16 3h24 h VAL 90 Ca 0.17 -1.39 0.08 0.00 0.82 0.00 0.00 66.70 66.38 3h24 h VAL 90 Cb 0.52 1.91 -0.10 0.00 -1.52 0.00 0.00 31.29 32.09 3h24 h VAL 90 CO 0.02 0.41 -0.51 -0.24 0.02 0.00 0.00 177.57 177.28 3h24 n SER 91 N -4.50 -0.91 0.13 0.57 2.88 0.11 0.92 113.62 112.81 3h24 n SER 91 Ca -0.06 1.60 -0.02 0.00 -1.33 0.00 0.00 58.87 59.07 3h24 n SER 91 Cb 0.40 -0.23 0.20 0.00 -0.75 0.00 0.00 64.21 63.83 3h24 n SER 91 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3h24 h LYS 92 N 0.00 0.10 0.00 -1.46 3.64 -1.32 -3.32 116.57 114.20 3h24 h LYS 92 Ca 0.14 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3h24 h LYS 92 Cb 0.35 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3h24 h LYS 92 CO -0.81 0.61 -1.72 0.39 -2.27 0.00 0.00 179.45 175.64 3h24 n GLU 93 N -3.91 0.54 -4.03 1.90 1.02 -0.32 -4.86 120.64 110.98 3h24 n GLU 93 Ca -0.02 -0.15 -0.31 0.00 -0.02 0.00 0.00 57.16 56.66 3h24 n GLU 93 Cb 0.55 -1.39 -0.15 0.00 -0.02 0.00 0.00 31.44 30.43 3h24 n GLU 93 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3h24 s VAL 94 N -3.13 1.89 -1.00 2.62 1.01 0.26 -5.04 120.40 117.01 3h24 s VAL 94 Ca -0.06 -1.33 -0.23 0.00 0.00 0.00 0.00 61.98 60.36 3h24 s VAL 94 Cb 0.11 -2.00 0.04 0.00 0.00 0.00 0.00 36.38 34.52 3h24 s VAL 94 CO 0.69 0.05 1.52 -0.54 0.00 0.00 0.00 175.10 176.82 3h24 s LYS 95 N 1.26 3.43 -0.29 2.72 -0.14 -1.26 -4.48 119.74 120.98 3h24 s LYS 95 Ca -0.05 -0.98 -0.23 0.00 -1.36 0.00 0.00 55.97 53.35 3h24 s LYS 95 Cb -0.18 -5.29 0.14 0.00 -1.68 0.00 0.00 37.83 30.81 3h24 s LYS 95 CO -0.07 -2.38 1.08 -0.51 -0.76 0.00 0.00 175.35 172.71 3h24 s LEU 96 N 5.74 -0.40 0.53 3.17 1.43 -1.26 -5.14 118.68 122.76 3h24 s LEU 96 Ca 0.49 0.74 -0.22 0.00 -1.03 0.00 0.00 54.13 54.11 3h24 s LEU 96 Cb -0.01 1.73 -0.05 0.00 0.03 0.00 0.00 46.19 47.88 3h24 s LEU 96 CO -0.08 -0.12 1.34 -2.16 0.23 0.00 0.00 176.35 175.55 3h24 s PRO 97 N 0.48 3.23 0.09 1.29 0.04 -1.26 -4.77 135.00 134.10 3h24 s PRO 97 Ca 0.01 2.19 0.06 0.00 0.04 0.00 0.00 61.00 63.30 3h24 s PRO 97 Cb -0.05 -2.29 -0.04 0.00 0.04 0.00 0.00 34.50 32.16 3h24 s PRO 97 CO -0.10 -1.10 -0.08 0.42 0.04 0.00 0.00 177.00 176.18 3h24 s ILE 98 N -1.33 3.48 -0.03 0.56 1.01 -1.26 -1.48 121.20 122.15 3h24 s ILE 98 Ca 0.70 -1.16 0.05 0.00 0.00 0.00 0.00 60.65 60.25 3h24 s ILE 98 Cb -0.39 -2.61 -0.01 0.00 0.01 0.00 0.00 42.46 39.46 3h24 s ILE 98 CO 0.47 0.16 -0.18 -0.94 0.00 0.00 0.00 174.94 174.44 3h24 s SER 99 N -2.08 2.23 -0.14 3.58 1.04 0.27 -0.17 113.70 118.43 3h24 s SER 99 Ca 0.21 -0.35 -0.22 0.00 0.48 0.00 0.00 55.95 56.07 3h24 s SER 99 Cb -0.11 -0.42 -0.03 0.00 0.10 0.00 0.00 66.02 65.56 3h24 s SER 99 CO 0.13 0.20 0.65 -0.51 0.98 0.00 0.00 173.24 174.69 3h24 s ILE 100 N -0.23 5.04 -1.25 -1.02 1.10 -0.39 -1.55 121.20 122.90 3h24 s ILE 100 Ca 0.02 1.28 -0.12 0.00 -0.51 0.00 0.00 60.65 61.32 3h24 s ILE 100 Cb -0.09 -3.98 0.17 0.00 0.15 0.00 0.00 42.46 38.71 3h24 s ILE 100 CO 0.01 0.18 1.64 -0.67 -2.11 0.00 0.00 174.94 173.98 3h24 n ASP 101 N 4.48 5.14 -4.64 4.50 4.64 -0.24 0.30 116.55 130.73 3h24 n ASP 101 Ca -0.02 -3.03 -0.31 0.00 -1.38 0.00 0.00 54.79 50.05 3h24 n ASP 101 Cb 0.50 -1.54 -0.08 0.00 -1.04 0.00 0.00 41.12 38.97 3h24 n ASP 101 CO 0.00 0.00 0.00 0.28 -0.82 0.00 0.00 177.20 176.66 3h24 s THR 102 N 1.16 1.15 0.00 5.18 -1.32 -1.10 -4.21 115.64 116.49 3h24 s THR 102 Ca 0.42 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.90 3h24 s THR 102 Cb 0.03 -2.28 0.00 0.00 -1.51 0.00 0.00 72.50 68.74 3h24 s THR 102 CO 0.00 0.00 0.25 0.00 -2.21 0.00 0.00 174.62 172.66 3h24 n TYR 103 N -1.17 0.00 -3.37 9.09 0.18 -1.26 -3.62 117.16 117.01 3h24 n TYR 103 Ca -0.16 0.00 -0.38 0.00 1.88 0.00 0.00 57.90 59.25 3h24 n TYR 103 Cb 0.67 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.57 3h24 n TYR 103 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3h24 s LYS 104 N -0.22 4.21 0.10 -3.48 1.02 -1.26 -4.19 119.74 115.92 3h24 s LYS 104 Ca 0.00 0.45 -0.30 0.00 0.02 0.00 0.00 55.97 56.14 3h24 s LYS 104 Cb 0.00 -3.36 -0.12 0.00 -0.52 0.00 0.00 37.83 33.83 3h24 s LYS 104 CO 0.00 0.35 1.62 0.00 -0.92 0.00 0.00 175.35 176.40 3h24 h ALA 105 N 5.98 -0.67 -0.37 5.17 0.00 -1.94 -2.04 119.26 125.39 3h24 h ALA 105 Ca -0.45 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.28 3h24 h ALA 105 Cb 1.19 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 19.44 3h24 h ALA 105 CO 0.71 -0.92 -0.10 1.49 0.00 0.00 0.00 179.25 180.43 3h24 h GLU 106 N -0.66 0.64 -0.89 0.00 4.57 -1.97 -1.71 114.58 114.56 3h24 h GLU 106 Ca -0.01 -0.20 -0.01 0.00 -1.18 0.00 0.00 59.36 57.96 3h24 h GLU 106 Cb 0.61 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.09 3h24 h GLU 106 CO -0.08 0.74 0.51 0.28 -1.18 0.00 0.00 179.01 179.27 3h24 h VAL 107 N 0.59 1.25 -0.17 0.32 2.07 -1.90 -1.67 116.25 116.74 3h24 h VAL 107 Ca 0.11 -0.61 -0.05 0.00 0.82 0.00 0.00 66.70 66.97 3h24 h VAL 107 Cb 0.53 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.32 3h24 h VAL 107 CO 0.03 0.28 -0.09 0.00 0.02 0.00 0.00 177.57 177.81 3h24 h ALA 108 N 1.28 0.24 -0.22 1.67 0.00 -0.86 -2.30 119.26 119.05 3h24 h ALA 108 Ca 0.32 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.99 3h24 h ALA 108 Cb 0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 3h24 h ALA 108 CO -0.05 0.06 -0.14 -0.22 0.00 0.00 0.00 179.25 178.90 3h24 h LYS 109 N 0.03 -0.12 -0.83 0.00 3.64 -1.04 -1.90 116.57 116.35 3h24 h LYS 109 Ca 0.04 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 3h24 h LYS 109 Cb 0.58 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.39 3h24 h LYS 109 CO 0.03 -0.08 0.44 1.96 -2.27 0.00 0.00 179.45 179.52 3h24 h GLN 110 N -0.13 1.17 -0.32 1.90 1.08 -1.29 -0.97 115.11 116.55 3h24 h GLN 110 Ca 0.13 -0.15 -0.08 0.00 -1.45 0.00 0.00 58.65 57.10 3h24 h GLN 110 Cb 0.32 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.51 3h24 h GLN 110 CO -0.30 0.87 -0.14 0.00 -0.95 0.00 0.00 178.83 178.31 3h24 h ALA 111 N 1.23 1.17 -0.16 3.87 0.00 -1.04 0.61 119.26 124.93 3h24 h ALA 111 Ca 0.29 -0.29 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 3h24 h ALA 111 Cb 0.06 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.71 3h24 h ALA 111 CO -0.04 0.53 -0.73 0.82 0.00 0.00 0.00 179.25 179.82 3h24 h ILE 112 N 0.51 1.29 -0.17 0.00 2.04 -0.77 0.16 117.51 120.58 3h24 h ILE 112 Ca 0.09 -1.96 -0.05 0.00 1.00 0.00 0.00 64.86 63.95 3h24 h ILE 112 Cb 0.54 1.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.55 3h24 h ILE 112 CO 0.03 0.62 -0.12 -0.33 0.00 0.00 0.00 178.15 178.36 3h24 h GLU 113 N 0.52 0.26 0.00 2.37 4.39 -0.32 -1.98 114.58 119.82 3h24 h GLU 113 Ca -0.04 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.60 3h24 h GLU 113 Cb 1.35 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 3h24 h GLU 113 CO 0.15 0.39 0.00 0.00 -1.16 0.00 0.00 179.01 178.39 3h24 h ALA 114 N 1.64 1.00 0.00 3.43 0.00 0.38 -3.47 119.26 122.23 3h24 h ALA 114 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3h24 h ALA 114 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3h24 h ALA 114 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 3h24 n GLY 115 N 0.43 0.39 3.78 0.00 0.00 -0.74 -3.84 105.19 105.21 3h24 n GLY 115 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 3h24 n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h24 s ALA 116 N -0.81 2.73 -0.05 4.61 0.00 0.53 -4.75 121.76 124.02 3h24 s ALA 116 Ca 0.00 0.79 0.13 0.00 0.00 0.00 0.00 51.96 52.88 3h24 s ALA 116 Cb 0.00 -3.34 -0.19 0.00 0.00 0.00 0.00 23.12 19.59 3h24 s ALA 116 CO 0.00 -0.69 0.22 0.72 0.00 0.00 0.00 175.76 176.01 3h24 n HIS 117 N -1.24 0.00 -3.97 0.00 -0.00 0.76 -4.40 115.22 106.37 3h24 n HIS 117 Ca 0.11 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.69 3h24 n HIS 117 Cb 0.51 -0.40 -0.14 0.00 -0.00 0.00 0.00 29.99 29.96 3h24 n HIS 117 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3h24 s ILE 118 N -2.75 0.15 -0.17 1.59 1.01 -0.99 -4.10 121.20 115.94 3h24 s ILE 118 Ca -0.05 -0.07 -0.11 0.00 0.00 0.00 0.00 60.65 60.42 3h24 s ILE 118 Cb 0.07 -0.15 -0.05 0.00 0.01 0.00 0.00 42.46 42.35 3h24 s ILE 118 CO 0.55 0.05 0.18 -0.63 0.00 0.00 0.00 174.94 175.09 3h24 s ILE 119 N 0.05 5.39 -0.39 2.92 1.01 -0.64 -1.26 121.20 128.28 3h24 s ILE 119 Ca -0.00 0.29 0.01 0.00 0.00 0.00 0.00 60.65 60.95 3h24 s ILE 119 Cb -0.02 -3.50 0.11 0.00 0.01 0.00 0.00 42.46 39.05 3h24 s ILE 119 CO -0.00 0.46 0.14 0.21 0.00 0.00 0.00 174.94 175.75 3h24 s ASN 120 N 0.16 4.97 -0.30 3.58 2.47 0.15 0.52 114.94 126.47 3h24 s ASN 120 Ca 0.11 -2.19 -0.07 0.00 0.42 0.00 0.00 52.86 51.13 3h24 s ASN 120 Cb -0.12 -1.72 0.01 0.00 -1.45 0.00 0.00 41.25 37.97 3h24 s ASN 120 CO 0.01 -0.44 0.10 -0.62 -3.72 0.00 0.00 177.10 172.43 3h24 s ASP 121 N 1.20 5.23 0.00 -4.21 3.68 -0.51 -2.72 116.67 119.34 3h24 s ASP 121 Ca 0.10 -0.71 0.21 0.00 2.13 0.00 0.00 52.55 54.29 3h24 s ASP 121 Cb -0.21 -1.91 1.26 0.00 -1.45 0.00 0.00 42.92 40.62 3h24 s ASP 121 CO -0.06 -0.21 1.78 2.30 0.13 0.00 0.00 175.17 179.12 3h24 n ILE 122 N 4.89 0.00 -0.31 4.11 -5.35 -1.26 -2.15 119.36 119.29 3h24 n ILE 122 Ca -0.14 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 3h24 n ILE 122 Cb 0.48 -0.38 0.01 0.00 -1.74 0.00 0.00 39.64 38.01 3h24 n ILE 122 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 3h24 n TRP 123 N -0.85 0.00 -4.14 4.28 7.02 -1.26 -4.51 117.44 117.98 3h24 n TRP 123 Ca 0.16 -0.39 -0.30 0.00 -1.02 0.00 0.00 57.50 55.94 3h24 n TRP 123 Cb 0.07 -0.04 -0.04 0.00 -2.42 0.00 0.00 31.31 28.88 3h24 n TRP 123 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3h24 n GLY 124 N -0.41 -0.27 2.39 6.99 0.00 -1.01 0.31 105.19 113.18 3h24 n GLY 124 Ca 0.01 0.15 -0.03 0.00 0.00 0.00 0.00 46.02 46.14 3h24 n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h24 n ALA 125 N -4.42 -0.05 -0.03 4.61 0.00 -1.26 -4.56 120.51 114.80 3h24 n ALA 125 Ca -0.19 0.05 -0.21 0.00 0.00 0.00 0.00 53.44 53.09 3h24 n ALA 125 Cb 0.62 -0.84 -0.13 0.00 0.00 0.00 0.00 19.45 19.11 3h24 n ALA 125 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3h24 h LYS 126 N 0.38 0.16 -0.34 0.00 1.57 -0.54 -3.16 116.57 114.64 3h24 h LYS 126 Ca -0.06 -0.27 0.07 0.00 -1.87 0.00 0.00 60.65 58.52 3h24 h LYS 126 Cb 0.50 0.10 -0.07 0.00 0.08 0.00 0.00 32.23 32.84 3h24 h LYS 126 CO 0.09 1.13 -0.10 0.00 -0.57 0.00 0.00 179.45 180.01 3h24 h ALA 127 N -0.16 0.21 -1.78 3.86 0.00 -1.89 -3.37 119.26 116.13 3h24 h ALA 127 Ca -0.34 0.13 -0.52 0.00 0.00 0.00 0.00 54.91 54.18 3h24 h ALA 127 Cb 1.64 0.28 -0.36 0.00 0.00 0.00 0.00 17.79 19.35 3h24 h ALA 127 CO -0.03 -0.47 -1.04 0.39 0.00 0.00 0.00 179.25 178.10 3h24 n GLU 128 N -5.28 0.72 -0.33 0.00 1.02 -1.26 -4.99 120.64 110.52 3h24 n GLU 128 Ca 0.01 -3.05 0.25 0.00 -0.02 0.00 0.00 57.16 54.35 3h24 n GLU 128 Cb 0.20 -1.24 0.48 0.00 -0.02 0.00 0.00 31.44 30.86 3h24 n GLU 128 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3h24 h PRO 129 N 4.01 0.12 -1.29 3.49 0.10 -1.72 1.08 132.00 137.78 3h24 h PRO 129 Ca 0.05 -0.01 0.38 0.00 0.10 0.00 0.00 66.00 66.51 3h24 h PRO 129 Cb 0.90 -0.03 -0.07 0.00 0.10 0.00 0.00 31.00 31.90 3h24 h PRO 129 CO 0.44 0.08 0.91 0.87 0.10 0.00 0.00 178.00 180.40 3h24 h LYS 130 N 0.12 0.08 -0.57 1.05 1.57 -1.94 0.34 116.57 117.22 3h24 h LYS 130 Ca 0.75 -0.00 0.16 0.00 -1.87 0.00 0.00 60.65 59.69 3h24 h LYS 130 Cb 1.82 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 34.09 3h24 h LYS 130 CO -0.73 0.05 0.48 0.97 -0.57 0.00 0.00 179.45 179.65 3h24 h ILE 131 N 0.08 0.52 -0.18 1.86 2.10 0.90 -0.60 117.51 122.19 3h24 h ILE 131 Ca 0.66 0.00 -0.20 0.00 1.08 0.00 0.00 64.86 66.40 3h24 h ILE 131 Cb 2.39 0.65 0.00 0.00 -1.09 0.00 0.00 36.82 38.77 3h24 h ILE 131 CO -0.11 0.00 -0.67 0.00 -1.08 0.00 0.00 178.15 176.29 3h24 h ALA 132 N 1.58 0.47 -0.06 0.18 0.00 -0.49 -2.13 119.26 118.81 3h24 h ALA 132 Ca 0.27 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3h24 h ALA 132 Cb 1.22 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 3h24 h ALA 132 CO -0.00 0.70 0.04 0.93 0.00 0.00 0.00 179.25 180.91 3h24 h GLU 133 N 0.51 0.08 -0.19 0.00 5.08 -1.24 -0.34 114.58 118.47 3h24 h GLU 133 Ca -0.02 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3h24 h GLU 133 Cb 1.27 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 3h24 h GLU 133 CO 0.13 0.05 0.04 0.28 -1.00 0.00 0.00 179.01 178.51 3h24 h VAL 134 N 0.08 1.22 0.42 3.13 2.07 -0.93 -1.61 116.25 120.63 3h24 h VAL 134 Ca 0.02 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 3h24 h VAL 134 Cb -0.01 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 3h24 h VAL 134 CO -0.00 0.22 -0.20 0.00 0.02 0.00 0.00 177.57 177.60 3h24 h ALA 135 N 0.84 -0.57 -0.46 1.67 0.00 -0.72 -0.97 119.26 119.05 3h24 h ALA 135 Ca 0.06 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3h24 h ALA 135 Cb 0.30 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3h24 h ALA 135 CO 0.00 -0.80 0.31 0.00 0.00 0.00 0.00 179.25 178.76 3h24 h ALA 136 N -0.03 1.74 -0.38 0.00 0.00 -1.17 0.52 119.26 119.93 3h24 h ALA 136 Ca -0.06 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 3h24 h ALA 136 Cb 0.46 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3h24 h ALA 136 CO 0.10 0.22 -0.14 1.25 0.00 0.00 0.00 179.25 180.68 3h24 h HIS 137 N 0.56 0.88 0.00 0.00 6.17 -0.63 -3.17 115.15 118.97 3h24 h HIS 137 Ca 0.18 -0.21 0.00 0.00 0.71 0.00 0.00 60.37 61.05 3h24 h HIS 137 Cb 0.03 -0.21 0.00 0.00 2.52 0.00 0.00 27.41 29.75 3h24 h HIS 137 CO -0.00 0.93 -0.97 0.66 0.71 0.00 0.00 177.93 179.26 3h24 n TYR 138 N -4.31 0.45 -2.62 5.26 4.01 -0.43 -4.98 117.16 114.54 3h24 n TYR 138 Ca -0.02 0.13 -0.07 0.00 -0.16 0.00 0.00 57.90 57.79 3h24 n TYR 138 Cb 0.39 -0.59 0.02 0.00 -0.31 0.00 0.00 39.34 38.85 3h24 n TYR 138 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3h24 n ASP 139 N -2.14 -3.05 -4.69 7.72 2.03 0.18 -5.03 116.55 111.56 3h24 n ASP 139 Ca 0.02 -0.11 -0.29 0.00 0.52 0.00 0.00 54.79 54.92 3h24 n ASP 139 Cb 0.46 -1.82 -0.08 0.00 -0.72 0.00 0.00 41.12 38.96 3h24 n ASP 139 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3h24 s VAL 140 N -2.87 4.01 0.62 5.18 -7.23 -1.07 -4.98 120.40 114.06 3h24 s VAL 140 Ca 0.12 -1.08 -0.18 0.00 -1.81 0.00 0.00 61.98 59.04 3h24 s VAL 140 Cb -0.05 -2.94 -0.02 0.00 0.56 0.00 0.00 36.38 33.92 3h24 s VAL 140 CO 0.15 0.05 1.18 -2.84 -0.31 0.00 0.00 175.10 173.34 3h24 s PRO 141 N -2.51 2.86 0.02 4.82 0.02 -1.26 -4.79 135.00 134.17 3h24 s PRO 141 Ca 0.27 1.72 0.05 0.00 0.02 0.00 0.00 61.00 63.06 3h24 s PRO 141 Cb -0.11 -1.93 -0.02 0.00 0.02 0.00 0.00 34.50 32.46 3h24 s PRO 141 CO 0.19 -1.27 -0.16 -1.50 -0.33 0.00 0.00 177.00 173.93 3h24 s ILE 142 N -1.80 1.27 -0.17 2.83 2.07 0.22 -1.62 121.20 123.99 3h24 s ILE 142 Ca 0.75 -0.93 -0.08 0.00 -1.41 0.00 0.00 60.65 58.98 3h24 s ILE 142 Cb -0.28 -1.11 -0.04 0.00 0.13 0.00 0.00 42.46 41.16 3h24 s ILE 142 CO 0.35 0.16 0.08 -0.63 -1.91 0.00 0.00 174.94 172.99 3h24 s ILE 143 N -0.68 4.94 -0.26 2.00 1.01 0.18 -1.50 121.20 126.90 3h24 s ILE 143 Ca 0.04 0.02 -0.01 0.00 0.00 0.00 0.00 60.65 60.70 3h24 s ILE 143 Cb -0.07 -3.22 0.03 0.00 0.01 0.00 0.00 42.46 39.21 3h24 s ILE 143 CO 0.01 0.48 -0.05 -0.76 0.00 0.00 0.00 174.94 174.61 3h24 s LEU 144 N 0.18 3.37 0.06 2.97 1.43 -0.14 -1.42 118.68 125.12 3h24 s LEU 144 Ca 0.06 -1.01 -0.04 0.00 -1.03 0.00 0.00 54.13 52.10 3h24 s LEU 144 Cb -0.12 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.39 3h24 s LEU 144 CO 0.00 -0.16 0.27 -0.32 0.23 0.00 0.00 176.35 176.37 3h24 s MET 145 N 1.29 3.54 0.00 1.70 1.75 -0.91 -1.90 119.30 124.77 3h24 s MET 145 Ca -0.02 -0.20 -0.30 0.00 -1.25 0.00 0.00 55.69 53.92 3h24 s MET 145 Cb -0.18 -3.01 -0.06 0.00 2.84 0.00 0.00 34.83 34.42 3h24 s MET 145 CO -0.04 0.59 1.58 -1.58 -0.65 0.00 0.00 175.02 174.92 3h24 s HIS 146 N -1.45 2.38 0.15 4.11 2.46 0.16 -3.94 115.29 119.16 3h24 s HIS 146 Ca 0.33 0.42 -0.05 0.00 0.47 0.00 0.00 55.06 56.23 3h24 s HIS 146 Cb -0.13 -3.86 -0.03 0.00 -0.13 0.00 0.00 32.58 28.44 3h24 s HIS 146 CO 0.22 -3.44 0.16 1.21 -2.47 0.00 0.00 174.74 170.42 3h24 s ASN 147 N 2.59 0.18 0.14 9.88 3.84 -1.26 -4.31 114.94 126.01 3h24 s ASN 147 Ca 0.71 -1.06 -0.24 0.00 0.21 0.00 0.00 52.86 52.47 3h24 s ASN 147 Cb -0.35 0.36 0.08 0.00 -0.55 0.00 0.00 41.25 40.79 3h24 s ASN 147 CO 0.29 -0.81 1.07 0.00 -2.79 0.00 0.00 177.10 174.87 3h24 s ARG 148 N -4.01 1.11 0.00 0.43 1.70 -1.26 -5.03 118.95 111.88 3h24 s ARG 148 Ca 0.21 -0.69 0.18 0.00 -0.47 0.00 0.00 55.73 54.96 3h24 s ARG 148 Cb 0.06 0.33 0.37 0.00 -0.57 0.00 0.00 34.95 35.13 3h24 s ARG 148 CO 0.01 -0.52 1.29 -0.40 -1.08 0.00 0.00 175.30 174.61 3h24 n ASP 149 N -1.01 3.16 -3.47 -2.89 5.75 -1.26 -4.66 116.55 112.18 3h24 n ASP 149 Ca -0.03 -1.91 -0.18 0.00 -0.01 0.00 0.00 54.79 52.65 3h24 n ASP 149 Cb 0.60 -0.24 -0.08 0.00 -1.03 0.00 0.00 41.12 40.37 3h24 n ASP 149 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3h24 s ASN 150 N -1.21 1.45 -0.13 -1.12 2.20 -1.26 -5.08 114.94 109.80 3h24 s ASN 150 Ca 0.32 -1.70 0.19 0.00 -0.94 0.00 0.00 52.86 50.73 3h24 s ASN 150 Cb 0.18 0.53 0.44 0.00 -2.00 0.00 0.00 41.25 40.41 3h24 s ASN 150 CO 0.25 -1.04 1.18 0.23 -2.94 0.00 0.00 177.10 174.78 3h24 n MET 151 N -0.57 1.08 -3.33 3.55 2.81 -1.26 -4.74 117.12 114.65 3h24 n MET 151 Ca 0.07 -2.82 -0.44 0.00 -1.81 0.00 0.00 57.70 52.70 3h24 n MET 151 Cb 0.63 -0.94 -0.08 0.00 -0.71 0.00 0.00 33.22 32.12 3h24 n MET 151 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 3h24 s ASN 152 N -2.79 6.17 -0.18 7.83 -0.87 -1.26 -4.91 114.94 118.93 3h24 s ASN 152 Ca 0.36 -1.01 -0.02 0.00 -1.57 0.00 0.00 52.86 50.61 3h24 s ASN 152 Cb 0.38 -2.21 -0.01 0.00 -0.02 0.00 0.00 41.25 39.38 3h24 s ASN 152 CO -0.10 -0.66 -0.08 -0.31 -2.57 0.00 0.00 177.10 173.38 3h24 s TYR 153 N 1.99 2.91 0.11 2.20 1.51 -1.26 -4.99 117.35 119.82 3h24 s TYR 153 Ca 0.09 -0.82 -0.21 0.00 -1.01 0.00 0.00 57.07 55.12 3h24 s TYR 153 Cb -0.21 -2.00 -0.09 0.00 -0.11 0.00 0.00 41.96 39.56 3h24 s TYR 153 CO 0.10 -0.41 1.76 -0.09 -1.11 0.00 0.00 175.55 175.80 3h24 h ARG 154 N 7.52 0.15 -2.58 -0.62 2.43 -2.02 -3.42 114.38 115.83 3h24 h ARG 154 Ca -0.36 -0.01 -0.21 0.00 -0.81 0.00 0.00 59.98 58.59 3h24 h ARG 154 Cb 1.18 -0.03 -0.32 0.00 -0.42 0.00 0.00 29.97 30.37 3h24 h ARG 154 CO 0.59 0.10 -0.53 1.21 -1.51 0.00 0.00 179.97 179.84 3h24 s ASN 155 N -5.29 0.49 0.13 -3.80 3.04 -1.26 -5.09 114.94 103.17 3h24 s ASN 155 Ca -0.13 0.40 -0.27 0.00 0.04 0.00 0.00 52.86 52.90 3h24 s ASN 155 Cb 0.08 0.77 -0.03 0.00 -1.54 0.00 0.00 41.25 40.53 3h24 s ASN 155 CO 0.68 -0.27 1.60 0.25 -3.04 0.00 0.00 177.10 176.33 3h24 h LEU 156 N 8.26 -1.07 -0.53 3.21 5.85 -1.99 0.16 115.31 129.20 3h24 h LEU 156 Ca -0.16 0.15 -0.14 0.00 0.84 0.00 0.00 57.88 58.57 3h24 h LEU 156 Cb 1.13 0.45 -0.01 0.00 0.37 0.00 0.00 40.66 42.59 3h24 h LEU 156 CO 0.19 -0.38 -0.32 0.24 -0.34 0.00 0.00 178.44 177.82 3h24 h MET 157 N -0.44 0.85 -0.37 1.25 2.86 -1.98 0.25 114.93 117.35 3h24 h MET 157 Ca 0.09 -0.40 -0.16 0.00 -2.06 0.00 0.00 59.70 57.16 3h24 h MET 157 Cb 0.57 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.22 3h24 h MET 157 CO -0.35 1.04 -0.41 0.00 1.06 0.00 0.00 176.91 178.25 3h24 h ALA 158 N 0.92 0.55 -0.56 6.32 0.00 -1.88 -1.25 119.26 123.36 3h24 h ALA 158 Ca 0.07 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 3h24 h ALA 158 Cb 0.88 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3h24 h ALA 158 CO 0.08 0.67 -0.07 -0.44 0.00 0.00 0.00 179.25 179.50 3h24 h ASP 159 N 0.75 1.03 -0.86 0.00 3.32 -0.25 -1.06 116.42 119.35 3h24 h ASP 159 Ca 0.05 -0.33 0.03 0.00 0.02 0.00 0.00 57.03 56.80 3h24 h ASP 159 Cb 1.01 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 40.23 3h24 h ASP 159 CO 0.10 1.12 0.55 0.24 -1.72 0.00 0.00 179.24 179.53 3h24 h MET 160 N 0.92 1.04 -0.13 3.56 2.86 -0.34 0.23 114.93 123.09 3h24 h MET 160 Ca 0.15 -0.06 -0.22 0.00 -2.06 0.00 0.00 59.70 57.51 3h24 h MET 160 Cb 0.63 -0.24 0.01 0.00 0.06 0.00 0.00 31.60 32.07 3h24 h MET 160 CO 0.04 0.69 -0.80 0.82 1.06 0.00 0.00 176.91 178.72 3h24 h ILE 161 N 1.08 1.29 -0.52 -1.22 2.04 -1.02 -0.07 117.51 119.10 3h24 h ILE 161 Ca 0.34 -2.03 0.09 0.00 1.00 0.00 0.00 64.86 64.26 3h24 h ILE 161 Cb 0.00 2.04 -0.07 0.00 -0.74 0.00 0.00 36.82 38.05 3h24 h ILE 161 CO -0.12 0.64 0.09 0.00 0.00 0.00 0.00 178.15 178.76 3h24 h ALA 162 N 0.60 0.58 -0.17 1.87 0.00 -0.89 -1.03 119.26 120.23 3h24 h ALA 162 Ca -0.06 0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 3h24 h ALA 162 Cb 1.43 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 3h24 h ALA 162 CO 0.16 -0.32 -0.56 -0.44 0.00 0.00 0.00 179.25 178.09 3h24 h ASP 163 N 0.22 0.56 -0.12 0.00 5.19 0.07 -1.79 116.42 120.56 3h24 h ASP 163 Ca 0.26 -0.30 -0.11 0.00 -0.62 0.00 0.00 57.03 56.26 3h24 h ASP 163 Cb 0.37 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.70 3h24 h ASP 163 CO -0.36 1.01 -0.30 -0.07 -3.12 0.00 0.00 179.24 176.40 3h24 h LEU 164 N 0.39 0.61 -1.21 1.55 3.38 -0.84 -2.34 115.31 116.83 3h24 h LEU 164 Ca 0.01 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 3h24 h LEU 164 Cb 1.09 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 3h24 h LEU 164 CO 0.10 0.87 0.32 1.88 0.09 0.00 0.00 178.44 181.71 3h24 h TYR 165 N 0.51 0.85 -0.51 1.13 -1.99 -0.65 -0.18 116.97 116.14 3h24 h TYR 165 Ca 0.06 -0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.76 3h24 h TYR 165 Cb 0.77 -0.27 -0.03 0.00 2.00 0.00 0.00 36.73 39.20 3h24 h TYR 165 CO 0.03 0.61 0.25 -0.44 -0.00 0.00 0.00 178.16 178.61 3h24 h ASP 166 N 0.87 0.63 -0.18 3.88 3.32 -0.84 -1.83 116.42 122.28 3h24 h ASP 166 Ca 0.22 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 3h24 h ASP 166 Cb 0.05 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 3h24 h ASP 166 CO -0.03 0.54 -0.14 0.28 -1.72 0.00 0.00 179.24 178.17 3h24 h SER 167 N 0.71 0.43 -0.94 6.45 0.02 -0.80 -3.02 113.55 116.40 3h24 h SER 167 Ca 0.18 -0.45 0.04 0.00 -0.84 0.00 0.00 61.79 60.72 3h24 h SER 167 Cb 0.07 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.43 3h24 h SER 167 CO -0.03 0.79 0.62 0.40 -1.14 0.00 0.00 176.83 177.47 3h24 h ILE 168 N 0.07 1.15 -0.38 3.27 2.04 -0.78 -1.86 117.51 121.03 3h24 h ILE 168 Ca 0.03 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 3h24 h ILE 168 Cb 0.65 -0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 3h24 h ILE 168 CO 0.04 0.21 0.20 0.50 0.00 0.00 0.00 178.15 179.09 3h24 h LYS 169 N 1.17 0.53 -0.80 2.37 1.63 -1.33 0.20 116.57 120.35 3h24 h LYS 169 Ca 0.38 -0.07 0.03 0.00 -0.85 0.00 0.00 60.65 60.14 3h24 h LYS 169 Cb 0.03 -0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 31.51 3h24 h LYS 169 CO -0.12 0.45 0.51 0.82 -3.45 0.00 0.00 179.45 177.66 3h24 h ILE 170 N 0.48 1.12 0.36 2.00 2.04 -1.26 0.18 117.51 122.43 3h24 h ILE 170 Ca 0.13 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 3h24 h ILE 170 Cb 0.08 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.21 3h24 h ILE 170 CO -0.02 0.18 -0.18 0.00 0.00 0.00 0.00 178.15 178.14 3h24 h ALA 171 N 1.34 -0.49 -0.31 1.87 0.00 -0.78 -2.63 119.26 118.26 3h24 h ALA 171 Ca 0.32 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3h24 h ALA 171 Cb 0.02 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3h24 h ALA 171 CO -0.12 -0.71 0.02 0.87 0.00 0.00 0.00 179.25 179.31 3h24 h LYS 172 N -0.62 0.47 0.00 0.00 1.57 0.08 -0.72 116.57 117.35 3h24 h LYS 172 Ca -0.05 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3h24 h LYS 172 Cb 0.45 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3h24 h LYS 172 CO 0.08 0.49 0.00 -0.25 -0.57 0.00 0.00 179.45 179.20 3h24 n ASP 173 N -4.31 0.46 0.01 0.86 10.43 0.56 -1.90 116.55 122.66 3h24 n ASP 173 Ca 0.01 0.59 0.11 0.00 2.57 0.00 0.00 54.79 58.08 3h24 n ASP 173 Cb 0.22 -0.70 -0.12 0.00 1.84 0.00 0.00 41.12 42.36 3h24 n ASP 173 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3h24 n ALA 174 N -1.68 3.23 0.00 2.24 0.00 -0.32 -4.98 120.51 118.99 3h24 n ALA 174 Ca 0.03 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.98 3h24 n ALA 174 Cb 0.25 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.88 3h24 n ALA 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h24 n GLY 175 N 1.31 1.15 3.67 0.00 0.00 -0.80 -4.67 105.19 105.85 3h24 n GLY 175 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 3h24 n GLY 175 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3h24 n VAL 176 N 0.00 0.71 -2.35 1.61 0.31 -0.94 -4.84 118.33 112.84 3h24 n VAL 176 Ca 0.00 -0.13 -0.35 0.00 -0.01 0.00 0.00 64.34 63.86 3h24 n VAL 176 Cb 0.00 -2.22 -0.01 0.00 -0.91 0.00 0.00 33.84 30.70 3h24 n VAL 176 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3h24 s ARG 177 N 4.27 3.50 0.20 5.55 0.52 -1.26 -4.38 118.95 127.35 3h24 s ARG 177 Ca 0.89 1.52 -0.15 0.00 -0.52 0.00 0.00 55.73 57.47 3h24 s ARG 177 Cb -0.49 -2.04 0.20 0.00 0.52 0.00 0.00 34.95 33.14 3h24 s ARG 177 CO 0.44 -0.71 1.63 -0.44 0.02 0.00 0.00 175.30 176.23 3h24 h ASP 178 N 1.30 -0.64 0.00 0.23 3.32 -1.98 -0.05 116.42 118.60 3h24 h ASP 178 Ca -0.50 0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.74 3h24 h ASP 178 Cb 1.25 0.40 0.00 0.00 0.22 0.00 0.00 39.33 41.19 3h24 h ASP 178 CO 0.58 -0.22 0.12 -0.62 -1.72 0.00 0.00 179.24 177.38 3h24 n GLU 179 N -5.42 0.01 -0.18 3.56 4.71 -1.26 -0.57 120.64 121.49 3h24 n GLU 179 Ca 0.06 0.40 0.08 0.00 -0.01 0.00 0.00 57.16 57.69 3h24 n GLU 179 Cb 0.32 -1.65 0.17 0.00 -1.01 0.00 0.00 31.44 29.27 3h24 n GLU 179 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3h24 n ASN 180 N -1.45 2.99 -4.73 1.62 5.03 -0.03 -4.85 115.26 113.84 3h24 n ASN 180 Ca -0.00 -1.90 -0.35 0.00 0.87 0.00 0.00 54.58 53.19 3h24 n ASN 180 Cb 0.12 -0.23 -0.08 0.00 -1.02 0.00 0.00 39.78 38.57 3h24 n ASN 180 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3h24 s ILE 181 N -1.07 5.19 -0.04 2.41 1.01 0.26 -0.61 121.20 128.36 3h24 s ILE 181 Ca 0.28 0.11 0.04 0.00 0.00 0.00 0.00 60.65 61.08 3h24 s ILE 181 Cb 0.15 -3.33 -0.00 0.00 0.01 0.00 0.00 42.46 39.29 3h24 s ILE 181 CO 0.21 0.49 -0.17 -0.63 0.00 0.00 0.00 174.94 174.84 3h24 s ILE 182 N 0.05 1.38 0.08 2.92 1.01 -0.56 -4.22 121.20 121.86 3h24 s ILE 182 Ca 0.08 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 60.05 3h24 s ILE 182 Cb -0.12 -1.18 -0.04 0.00 0.01 0.00 0.00 42.46 41.14 3h24 s ILE 182 CO -0.00 0.40 0.14 -0.76 0.00 0.00 0.00 174.94 174.72 3h24 s LEU 183 N -0.03 4.05 -0.05 2.97 1.43 0.19 -0.97 118.68 126.27 3h24 s LEU 183 Ca -0.02 0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.21 3h24 s LEU 183 Cb -0.10 -2.69 0.01 0.00 0.03 0.00 0.00 46.19 43.44 3h24 s LEU 183 CO 0.02 0.16 -0.09 -0.62 0.23 0.00 0.00 176.35 176.04 3h24 s ASP 184 N -2.52 1.35 0.00 2.29 3.68 -0.80 0.64 116.67 121.31 3h24 s ASP 184 Ca 0.32 -0.21 0.15 0.00 2.13 0.00 0.00 52.55 54.94 3h24 s ASP 184 Cb -0.12 -0.55 0.66 0.00 -1.45 0.00 0.00 42.92 41.46 3h24 s ASP 184 CO 0.25 0.02 1.49 -0.81 0.13 0.00 0.00 175.17 176.25 3h24 n PRO 185 N 3.69 0.01 -3.12 4.34 -0.04 -1.26 0.36 135.00 138.99 3h24 n PRO 185 Ca -0.22 0.23 -0.14 0.00 -0.04 0.00 0.00 63.50 63.33 3h24 n PRO 185 Cb 0.52 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.53 3h24 n PRO 185 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h24 n GLY 186 N 0.09 -0.00 3.66 0.55 0.00 -1.26 -4.28 105.19 103.95 3h24 n GLY 186 Ca 0.04 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 3h24 n GLY 186 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h24 s ILE 187 N -3.21 3.34 0.00 -0.61 -1.09 -1.26 -1.30 121.20 117.07 3h24 s ILE 187 Ca 0.28 0.44 0.00 0.00 -2.23 0.00 0.00 60.65 59.14 3h24 s ILE 187 Cb -0.12 -3.29 0.00 0.00 -1.58 0.00 0.00 42.46 37.47 3h24 s ILE 187 CO 0.46 -0.04 0.00 0.61 -1.23 0.00 0.00 174.94 174.74 3h24 n GLY 188 N 4.27 0.56 3.35 6.18 0.00 -1.26 -4.71 105.19 113.59 3h24 n GLY 188 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 3h24 n GLY 188 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h24 s PHE 189 N -2.00 2.40 -1.62 1.61 0.40 -0.42 -4.77 117.98 113.58 3h24 s PHE 189 Ca 0.00 -0.38 -0.13 0.00 -0.60 0.00 0.00 56.93 55.82 3h24 s PHE 189 Cb 0.00 -1.50 0.11 0.00 0.51 0.00 0.00 43.02 42.14 3h24 s PHE 189 CO 0.00 0.04 0.66 0.00 0.70 0.00 0.00 175.22 176.62 3h24 n ALA 190 N 2.24 -1.49 -3.70 5.36 0.00 -1.26 -4.93 120.51 116.72 3h24 n ALA 190 Ca -0.16 -0.09 -0.11 0.00 0.00 0.00 0.00 53.44 53.08 3h24 n ALA 190 Cb 0.51 -2.86 -0.11 0.00 0.00 0.00 0.00 19.45 16.99 3h24 n ALA 190 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3h24 s LYS 191 N -6.85 0.33 0.89 0.00 1.02 -1.26 -4.54 119.74 109.33 3h24 s LYS 191 Ca 0.51 0.73 -0.11 0.00 0.02 0.00 0.00 55.97 57.13 3h24 s LYS 191 Cb -0.28 -0.04 0.13 0.00 -0.52 0.00 0.00 37.83 37.12 3h24 s LYS 191 CO 0.92 -0.17 1.12 0.95 -0.92 0.00 0.00 175.35 177.25 3h24 s THR 192 N 1.45 2.51 0.38 2.17 -4.23 -1.26 -4.77 115.64 111.88 3h24 s THR 192 Ca -0.09 0.16 0.15 0.00 -1.18 0.00 0.00 61.69 60.73 3h24 s THR 192 Cb -0.09 -2.37 0.36 0.00 1.34 0.00 0.00 72.50 71.74 3h24 s THR 192 CO -0.12 -0.21 1.79 -0.65 -0.54 0.00 0.00 174.62 174.89 3h24 h PRO 193 N -1.67 0.49 -0.22 3.99 0.11 -1.99 0.62 132.00 133.33 3h24 h PRO 193 Ca -0.45 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 3h24 h PRO 193 Cb 1.26 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3h24 h PRO 193 CO 0.46 0.32 -0.25 1.49 -0.21 0.00 0.00 178.00 179.81 3h24 h GLU 194 N 0.50 0.41 0.07 1.05 4.57 -1.99 -2.02 114.58 117.17 3h24 h GLU 194 Ca 0.56 -0.15 -0.25 0.00 -1.18 0.00 0.00 59.36 58.34 3h24 h GLU 194 Cb 1.26 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.80 3h24 h GLU 194 CO -0.30 0.64 -1.22 1.96 -1.18 0.00 0.00 179.01 178.91 3h24 h GLN 195 N 0.37 0.14 -0.48 1.92 4.20 -1.26 -1.66 115.11 118.34 3h24 h GLN 195 Ca 0.06 -0.24 0.02 0.00 0.06 0.00 0.00 58.65 58.54 3h24 h GLN 195 Cb 0.64 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.48 3h24 h GLN 195 CO 0.05 1.07 0.29 -0.91 -0.67 0.00 0.00 178.83 178.66 3h24 h ASN 196 N 0.04 0.49 -0.42 1.46 2.35 -1.07 0.25 115.58 118.67 3h24 h ASN 196 Ca -0.11 -0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.68 3h24 h ASN 196 Cb 1.90 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 40.13 3h24 h ASN 196 CO 0.16 0.35 0.19 -0.07 -1.65 0.00 0.00 177.43 176.41 3h24 h LEU 197 N 0.59 0.26 -0.30 1.61 3.38 -1.30 -0.96 115.31 118.59 3h24 h LEU 197 Ca 0.19 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 3h24 h LEU 197 Cb -0.01 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3h24 h LEU 197 CO -0.08 0.19 0.18 -0.08 0.09 0.00 0.00 178.44 178.74 3h24 h GLU 198 N 0.39 0.42 -0.71 1.13 4.81 -0.47 -1.37 114.58 118.77 3h24 h GLU 198 Ca 0.19 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.39 3h24 h GLU 198 Cb 0.12 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 3h24 h GLU 198 CO -0.15 0.33 0.46 0.00 -0.73 0.00 0.00 179.01 178.92 3h24 h ALA 199 N 1.06 0.91 -0.38 2.92 0.00 -0.31 -1.14 119.26 122.32 3h24 h ALA 199 Ca 0.11 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3h24 h ALA 199 Cb 0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3h24 h ALA 199 CO -0.02 0.27 0.24 0.52 0.00 0.00 0.00 179.25 180.26 3h24 h MET 200 N 0.92 0.47 0.00 0.00 2.86 -0.82 -0.37 114.93 117.98 3h24 h MET 200 Ca 0.27 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 3h24 h MET 200 Cb -0.05 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.50 3h24 h MET 200 CO -0.08 0.31 0.00 -0.09 1.06 0.00 0.00 176.91 178.11 3h24 h ARG 201 N 0.48 0.00 -0.01 1.72 2.43 -0.78 -2.74 114.38 115.49 3h24 h ARG 201 Ca 0.15 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3h24 h ARG 201 Cb -0.02 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3h24 h ARG 201 CO -0.05 0.00 -0.10 0.09 -1.51 0.00 0.00 179.97 178.39 3h24 n ASN 202 N -2.95 2.25 0.27 -3.80 3.02 -0.47 -4.80 115.26 108.78 3h24 n ASN 202 Ca 0.01 -3.26 0.11 0.00 -0.03 0.00 0.00 54.58 51.40 3h24 n ASN 202 Cb 0.28 -0.45 0.74 0.00 -0.61 0.00 0.00 39.78 39.74 3h24 n ASN 202 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3h24 h LEU 203 N 0.25 0.00 -2.63 3.41 3.38 -0.78 -1.74 115.31 117.19 3h24 h LEU 203 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3h24 h LEU 203 Cb 1.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 3h24 h LEU 203 CO 0.01 0.02 0.09 1.05 0.09 0.00 0.00 178.44 179.70 3h24 h GLU 204 N 0.00 0.00 0.00 1.13 9.09 -1.86 -1.69 114.58 121.25 3h24 h GLU 204 Ca -0.00 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.38 3h24 h GLU 204 Cb 0.04 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.14 3h24 h GLU 204 CO 0.00 0.00 -0.13 1.96 0.05 0.00 0.00 179.01 180.90 3h24 h GLN 205 N 0.00 0.00 0.00 1.06 4.20 -1.66 -0.51 115.11 118.20 3h24 h GLN 205 Ca 0.01 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 3h24 h GLN 205 Cb 0.19 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 3h24 h GLN 205 CO -0.00 0.13 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.17 3h24 h LEU 206 N 0.00 0.00 -2.26 1.46 3.38 -1.52 -2.39 115.31 113.99 3h24 h LEU 206 Ca -0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.98 3h24 h LEU 206 Cb 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3h24 h LEU 206 CO 0.02 0.05 0.05 0.78 0.09 0.00 0.00 178.44 179.42 3h24 h ASN 207 N 0.00 0.00 0.75 -0.43 2.35 -1.27 -1.63 115.58 115.35 3h24 h ASN 207 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3h24 h ASN 207 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 3h24 h ASN 207 CO 0.01 0.00 0.00 -0.37 -1.65 0.00 0.00 177.43 175.42 3h24 h VAL 208 N 0.00 0.00 0.00 2.81 -1.51 -1.60 -1.61 116.25 114.34 3h24 h VAL 208 Ca 0.03 -0.36 -0.02 0.00 -1.23 0.00 0.00 66.70 65.12 3h24 h VAL 208 Cb 0.12 1.32 -0.00 0.00 -2.13 0.00 0.00 31.29 30.60 3h24 h VAL 208 CO -0.00 0.00 -0.08 -0.07 -1.23 0.00 0.00 177.57 176.19 3h24 h LEU 209 N 0.00 0.00 0.00 4.19 3.38 -1.49 -3.46 115.31 117.93 3h24 h LEU 209 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h24 h LEU 209 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3h24 h LEU 209 CO 0.00 0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.22 3h24 n GLY 210 N -0.86 0.56 3.67 0.83 0.00 -0.61 -5.08 105.19 103.70 3h24 n GLY 210 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 3h24 n GLY 210 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h24 s TYR 211 N -2.28 2.75 0.69 1.61 1.51 -1.26 -5.10 117.35 115.27 3h24 s TYR 211 Ca 0.00 -0.20 -0.16 0.00 -1.01 0.00 0.00 57.07 55.69 3h24 s TYR 211 Cb 0.00 -1.23 0.02 0.00 -0.11 0.00 0.00 41.96 40.63 3h24 s TYR 211 CO 0.00 0.60 1.22 -2.14 -1.11 0.00 0.00 175.55 174.12 3h24 s PRO 212 N -3.64 2.38 -0.05 -1.71 0.02 -1.26 -4.80 135.00 125.94 3h24 s PRO 212 Ca 0.31 1.82 0.05 0.00 0.02 0.00 0.00 61.00 63.20 3h24 s PRO 212 Cb -0.07 -1.86 -0.00 0.00 0.02 0.00 0.00 34.50 32.59 3h24 s PRO 212 CO 0.20 -1.66 -0.19 0.08 -0.33 0.00 0.00 177.00 175.10 3h24 s VAL 213 N -1.81 1.59 -0.13 3.83 1.01 -1.26 -0.64 120.40 122.98 3h24 s VAL 213 Ca 0.76 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 3h24 s VAL 213 Cb -0.31 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 3h24 s VAL 213 CO 0.42 0.45 -0.12 -0.22 0.00 0.00 0.00 175.10 175.63 3h24 s LEU 214 N 0.02 2.79 -0.23 3.92 0.20 0.21 -0.27 118.68 125.32 3h24 s LEU 214 Ca -0.05 -0.30 -0.09 0.00 0.69 0.00 0.00 54.13 54.38 3h24 s LEU 214 Cb -0.12 -1.63 -0.04 0.00 -0.43 0.00 0.00 46.19 43.96 3h24 s LEU 214 CO 0.03 0.17 0.12 -0.22 -0.29 0.00 0.00 176.35 176.15 3h24 s LEU 215 N 0.34 3.91 -0.49 -0.68 2.96 0.11 -4.02 118.68 120.81 3h24 s LEU 215 Ca -0.10 0.04 0.03 0.00 -0.22 0.00 0.00 54.13 53.88 3h24 s LEU 215 Cb -0.16 -2.03 0.13 0.00 0.50 0.00 0.00 46.19 44.63 3h24 s LEU 215 CO 0.05 0.07 0.24 -0.83 -1.32 0.00 0.00 176.35 174.56 3h24 s GLY 216 N 0.99 2.32 -0.01 7.98 0.00 -1.26 -0.64 107.32 116.70 3h24 s GLY 216 Ca 0.06 -3.07 0.02 0.00 0.00 0.00 0.00 44.72 41.72 3h24 s GLY 216 CO 0.03 1.01 0.86 -1.30 0.00 0.00 0.00 173.10 173.70 3h24 n THR 217 N 3.49 0.72 -1.78 0.90 -2.24 -1.26 -4.41 114.28 109.69 3h24 n THR 217 Ca 0.05 -0.75 -0.42 0.00 -2.27 0.00 0.00 64.05 60.65 3h24 n THR 217 Cb 0.36 0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 69.14 3h24 n THR 217 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3h24 s SER 218 N -0.87 6.38 -0.21 3.42 0.15 -1.25 -2.44 113.70 118.87 3h24 s SER 218 Ca 0.03 2.39 0.00 0.00 0.70 0.00 0.00 55.95 59.07 3h24 s SER 218 Cb 0.03 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 3h24 s SER 218 CO 0.00 -1.14 0.00 0.54 1.20 0.00 0.00 173.24 173.84 3h24 n ARG 219 N 7.59 -1.75 -0.98 5.44 1.74 -1.26 -4.90 116.66 122.54 3h24 n ARG 219 Ca 0.20 0.53 -0.31 0.00 -0.77 0.00 0.00 57.85 57.50 3h24 n ARG 219 Cb 0.42 -4.87 0.13 0.00 -1.02 0.00 0.00 32.46 27.12 3h24 n ARG 219 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3h24 s LYS 220 N -1.99 1.58 0.29 5.56 1.02 -1.02 -4.86 119.74 120.32 3h24 s LYS 220 Ca 0.00 1.45 0.04 0.00 0.02 0.00 0.00 55.97 57.48 3h24 s LYS 220 Cb 0.00 -1.80 0.72 0.00 -0.52 0.00 0.00 37.83 36.23 3h24 s LYS 220 CO 0.00 -2.20 1.74 1.03 -0.92 0.00 0.00 175.35 175.00 3h24 h SER 221 N -1.42 0.58 -0.03 2.83 0.87 -1.92 -1.45 113.55 113.00 3h24 h SER 221 Ca -0.44 0.12 0.01 0.00 -1.23 0.00 0.00 61.79 60.25 3h24 h SER 221 Cb 1.26 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 63.25 3h24 h SER 221 CO 0.46 0.15 0.03 2.19 -0.53 0.00 0.00 176.83 179.12 3h24 h PHE 222 N 0.59 0.00 -0.43 2.24 -5.15 -1.95 -1.12 116.94 111.12 3h24 h PHE 222 Ca 0.56 0.00 -0.09 0.00 -0.20 0.00 0.00 57.97 58.24 3h24 h PHE 222 Cb 0.95 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.11 3h24 h PHE 222 CO -0.06 0.00 -0.09 0.82 -2.00 0.00 0.00 178.31 176.98 3h24 h ILE 223 N 0.00 1.27 -0.66 0.88 2.04 -1.60 -2.71 117.51 116.72 3h24 h ILE 223 Ca 0.01 -1.19 0.03 0.00 1.00 0.00 0.00 64.86 64.71 3h24 h ILE 223 Cb 0.06 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 3h24 h ILE 223 CO -0.00 0.40 0.44 1.23 0.00 0.00 0.00 178.15 180.22 3h24 h GLY 224 N 0.65 0.91 1.10 5.37 0.00 -1.24 -1.14 103.07 108.72 3h24 h GLY 224 Ca 0.11 -0.32 -0.13 0.00 0.00 0.00 0.00 47.33 46.99 3h24 h GLY 224 CO 0.04 0.29 -0.20 0.84 0.00 0.00 0.00 176.54 177.51 3h24 h HIS 225 N 0.81 1.14 -0.05 5.60 -0.00 -1.10 0.32 115.15 121.87 3h24 h HIS 225 Ca 0.26 -0.27 -0.12 0.00 -0.00 0.00 0.00 60.37 60.24 3h24 h HIS 225 Cb 0.03 -0.27 0.01 0.00 -0.00 0.00 0.00 27.41 27.18 3h24 h HIS 225 CO -0.00 1.10 -0.45 0.28 -0.00 0.00 0.00 177.93 178.86 3h24 h VAL 226 N 0.85 1.42 0.00 5.26 2.07 -1.16 -3.32 116.25 121.37 3h24 h VAL 226 Ca 0.11 -1.89 0.00 0.00 0.82 0.00 0.00 66.70 65.75 3h24 h VAL 226 Cb 0.78 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.98 3h24 h VAL 226 CO 0.06 0.55 -0.51 0.18 0.02 0.00 0.00 177.57 177.87 3h24 n LEU 227 N -4.32 0.51 -3.57 2.57 4.77 -0.46 -4.97 117.00 111.53 3h24 n LEU 227 Ca -0.09 0.05 -0.25 0.00 -0.03 0.00 0.00 56.01 55.69 3h24 n LEU 227 Cb 0.58 -0.25 0.03 0.00 -2.33 0.00 0.00 43.42 41.46 3h24 n LEU 227 CO 0.44 0.09 -0.02 -0.67 -1.33 0.00 0.00 177.39 175.90 3h24 n ASP 228 N -1.60 -5.77 -3.75 -1.43 2.03 0.11 -5.02 116.55 101.12 3h24 n ASP 228 Ca 0.05 -0.84 -0.13 0.00 0.52 0.00 0.00 54.79 54.39 3h24 n ASP 228 Cb 0.35 -3.60 -0.10 0.00 -0.72 0.00 0.00 41.12 37.06 3h24 n ASP 228 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3h24 s LEU 229 N -5.82 0.69 1.00 -2.67 1.43 -1.17 -5.07 118.68 107.06 3h24 s LEU 229 Ca 0.34 0.52 -0.15 0.00 -1.03 0.00 0.00 54.13 53.82 3h24 s LEU 229 Cb -0.11 1.25 0.19 0.00 0.03 0.00 0.00 46.19 47.55 3h24 s LEU 229 CO 0.84 -0.23 1.19 -2.16 0.23 0.00 0.00 176.35 176.22 3h24 s PRO 230 N -0.29 0.43 0.31 1.29 0.04 -1.26 -4.36 135.00 131.15 3h24 s PRO 230 Ca -0.04 -0.01 0.05 0.00 0.04 0.00 0.00 61.00 61.04 3h24 s PRO 230 Cb -0.03 -1.78 0.69 0.00 0.04 0.00 0.00 34.50 33.41 3h24 s PRO 230 CO 0.02 -2.62 1.82 -0.24 0.04 0.00 0.00 177.00 176.01 3h24 h VAL 231 N -1.80 0.81 -0.15 -0.36 3.04 -1.98 -0.82 116.25 114.99 3h24 h VAL 231 Ca -0.47 -0.29 0.00 0.00 -1.01 0.00 0.00 66.70 64.93 3h24 h VAL 231 Cb 1.29 -0.10 0.00 0.00 -2.01 0.00 0.00 31.29 30.47 3h24 h VAL 231 CO 0.48 0.15 0.00 -1.84 -1.01 0.00 0.00 177.57 175.35 3h24 n GLU 232 N -4.67 1.50 -1.35 4.17 0.00 -1.26 -3.51 120.64 115.52 3h24 n GLU 232 Ca 0.21 -0.76 -0.11 0.00 0.00 0.00 0.00 57.16 56.50 3h24 n GLU 232 Cb 0.48 -1.31 0.11 0.00 0.00 0.00 0.00 31.44 30.72 3h24 n GLU 232 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3h24 n GLU 233 N 0.01 2.66 -0.17 3.44 -0.58 -0.31 -4.76 120.64 120.93 3h24 n GLU 233 Ca 0.13 -3.73 0.07 0.00 -0.42 0.00 0.00 57.16 53.21 3h24 n GLU 233 Cb 0.23 -1.99 0.14 0.00 -0.57 0.00 0.00 31.44 29.25 3h24 n GLU 233 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3h24 n ARG 234 N -0.91 2.33 0.17 3.49 1.74 -1.23 -4.73 116.66 117.53 3h24 n ARG 234 Ca 0.34 -2.33 -0.14 0.00 -0.77 0.00 0.00 57.85 54.95 3h24 n ARG 234 Cb 0.86 -1.44 -0.08 0.00 -1.02 0.00 0.00 32.46 30.78 3h24 n ARG 234 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3h24 h LEU 235 N 0.77 -0.34 -1.68 0.55 6.46 -1.87 0.56 115.31 119.76 3h24 h LEU 235 Ca 0.00 -0.08 0.02 0.00 -0.12 0.00 0.00 57.88 57.70 3h24 h LEU 235 Cb 0.96 0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.96 3h24 h LEU 235 CO 0.06 -0.14 0.24 -0.33 -0.62 0.00 0.00 178.44 177.65 3h24 h GLU 236 N -0.54 0.41 -0.06 1.25 3.07 -2.00 -1.04 114.58 115.68 3h24 h GLU 236 Ca -0.04 -0.02 -0.21 0.00 -0.50 0.00 0.00 59.36 58.58 3h24 h GLU 236 Cb 0.40 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 3h24 h GLU 236 CO 0.07 0.27 -0.84 0.78 -1.40 0.00 0.00 179.01 177.89 3h24 h GLY 237 N 0.42 0.57 0.93 -3.84 0.00 -1.81 -2.51 103.07 96.83 3h24 h GLY 237 Ca 0.14 -0.88 -0.01 0.00 0.00 0.00 0.00 47.33 46.59 3h24 h GLY 237 CO -0.03 0.78 0.11 -0.84 0.00 0.00 0.00 176.54 176.56 3h24 h THR 238 N 0.32 1.13 -0.91 4.70 2.02 -0.20 -1.72 112.91 118.25 3h24 h THR 238 Ca -0.06 -0.37 0.11 0.00 0.77 0.00 0.00 66.41 66.86 3h24 h THR 238 Cb 1.45 0.98 -0.08 0.00 -1.74 0.00 0.00 68.15 68.76 3h24 h THR 238 CO 0.15 0.13 0.54 1.23 0.37 0.00 0.00 175.52 177.94 3h24 h GLY 239 N 0.23 1.46 0.84 2.16 0.00 -1.21 0.50 103.07 107.06 3h24 h GLY 239 Ca 0.08 -0.36 0.03 0.00 0.00 0.00 0.00 47.33 47.08 3h24 h GLY 239 CO -0.01 0.12 0.38 0.00 0.00 0.00 0.00 176.54 177.02 3h24 h ALA 240 N 1.51 0.81 -0.43 3.60 0.00 -0.86 0.50 119.26 124.39 3h24 h ALA 240 Ca 0.45 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.26 3h24 h ALA 240 Cb 0.46 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3h24 h ALA 240 CO -0.27 0.11 -0.11 1.79 0.00 0.00 0.00 179.25 180.77 3h24 h THR 241 N 0.73 1.26 -0.48 0.00 1.35 -0.52 -1.37 112.91 113.87 3h24 h THR 241 Ca 0.25 -1.16 -0.00 0.00 -0.55 0.00 0.00 66.41 64.95 3h24 h THR 241 Cb 0.05 1.04 -0.02 0.00 -1.73 0.00 0.00 68.15 67.48 3h24 h THR 241 CO -0.11 0.40 0.29 0.58 -0.25 0.00 0.00 175.52 176.43 3h24 h VAL 242 N 0.70 1.15 -0.03 6.82 2.07 -0.54 0.78 116.25 127.20 3h24 h VAL 242 Ca 0.12 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 3h24 h VAL 242 Cb 0.58 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 3h24 h VAL 242 CO 0.04 0.15 0.01 0.00 0.02 0.00 0.00 177.57 177.79 3h24 h LEU 244 N -0.12 1.07 -0.17 0.00 5.85 -1.07 0.18 115.31 121.06 3h24 h LEU 244 Ca 0.01 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.59 3h24 h LEU 244 Cb 0.17 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 3h24 h LEU 244 CO -0.00 0.94 0.04 1.23 -0.34 0.00 0.00 178.44 180.31 3h24 h GLY 245 N 1.14 0.19 1.06 3.75 0.00 -0.60 0.19 103.07 108.81 3h24 h GLY 245 Ca 0.27 -0.01 -0.09 0.00 0.00 0.00 0.00 47.33 47.49 3h24 h GLY 245 CO -0.03 0.00 0.02 -2.22 0.00 0.00 0.00 176.54 174.32 3h24 h ILE 246 N 0.11 1.26 -0.06 2.60 2.04 -0.64 -1.34 117.51 121.48 3h24 h ILE 246 Ca 0.08 -1.11 -0.01 0.00 1.00 0.00 0.00 64.86 64.82 3h24 h ILE 246 Cb 0.07 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3h24 h ILE 246 CO -0.10 0.40 -0.02 -0.08 0.00 0.00 0.00 178.15 178.35 3h24 h GLU 247 N 0.92 0.08 -0.01 2.37 4.22 -0.29 -0.49 114.58 121.38 3h24 h GLU 247 Ca 0.17 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.60 3h24 h GLU 247 Cb 0.52 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3h24 h GLU 247 CO 0.03 0.11 -0.02 1.63 -2.18 0.00 0.00 179.01 178.57 3h24 n LYS 248 N -4.46 1.17 0.00 1.92 5.02 -0.01 -4.95 118.16 116.86 3h24 n LYS 248 Ca -0.02 -0.40 0.00 0.00 -2.02 0.00 0.00 58.31 55.87 3h24 n LYS 248 Cb 0.14 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 3h24 n LYS 248 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h24 n GLY 249 N 1.12 0.97 3.51 0.72 0.00 -0.19 -4.27 105.19 107.06 3h24 n GLY 249 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 3h24 n GLY 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h24 n GLU 251 N 0.52 0.60 -3.89 0.00 4.71 0.63 -4.77 120.64 118.43 3h24 n GLU 251 Ca 0.11 -0.13 -0.11 0.00 -0.01 0.00 0.00 57.16 57.02 3h24 n GLU 251 Cb 0.37 -1.46 -0.11 0.00 -1.01 0.00 0.00 31.44 29.22 3h24 n GLU 251 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 3h24 s PHE 252 N -3.25 0.06 0.07 -0.32 0.40 -0.98 -1.21 117.98 112.74 3h24 s PHE 252 Ca -0.03 -0.12 0.08 0.00 -0.60 0.00 0.00 56.93 56.26 3h24 s PHE 252 Cb 0.13 -0.06 -0.03 0.00 0.51 0.00 0.00 43.02 43.57 3h24 s PHE 252 CO 0.83 -0.17 -0.22 0.14 0.70 0.00 0.00 175.22 176.49 3h24 s VAL 253 N -0.87 1.83 -0.23 -0.44 -7.23 -0.62 0.06 120.40 112.89 3h24 s VAL 253 Ca -0.10 -1.37 -0.03 0.00 -1.81 0.00 0.00 61.98 58.67 3h24 s VAL 253 Cb -0.06 -1.60 0.00 0.00 0.56 0.00 0.00 36.38 35.28 3h24 s VAL 253 CO 0.00 0.16 -0.05 -0.60 -0.31 0.00 0.00 175.10 174.31 3h24 s ARG 254 N -1.45 3.20 0.02 4.82 3.52 0.19 -0.93 118.95 128.32 3h24 s ARG 254 Ca 0.09 -0.74 -0.09 0.00 -0.13 0.00 0.00 55.73 54.86 3h24 s ARG 254 Cb -0.09 -3.01 0.00 0.00 -1.56 0.00 0.00 34.95 30.29 3h24 s ARG 254 CO 0.03 -0.27 0.18 0.14 -0.81 0.00 0.00 175.30 174.57 3h24 s VAL 255 N 1.43 0.09 -0.10 7.11 -7.23 -0.31 -3.92 120.40 117.48 3h24 s VAL 255 Ca 0.04 -0.77 -0.21 0.00 -1.81 0.00 0.00 61.98 59.22 3h24 s VAL 255 Cb -0.15 -0.67 -0.28 0.00 0.56 0.00 0.00 36.38 35.85 3h24 s VAL 255 CO -0.04 -0.43 0.69 0.45 -0.31 0.00 0.00 175.10 175.47 3h24 h HIS 256 N 3.88 0.35 -3.26 2.82 3.86 -1.88 -1.91 115.15 119.00 3h24 h HIS 256 Ca -0.31 -0.26 -0.76 0.00 -1.16 0.00 0.00 60.37 57.88 3h24 h HIS 256 Cb 1.19 -0.01 -0.24 0.00 1.06 0.00 0.00 27.41 29.41 3h24 h HIS 256 CO 0.55 1.34 0.49 -0.51 0.86 0.00 0.00 177.93 180.67 3h24 s ASP 257 N -6.83 6.91 0.01 2.45 1.11 -1.26 -4.78 116.67 114.28 3h24 s ASP 257 Ca -0.18 -2.81 -0.23 0.00 0.18 0.00 0.00 52.55 49.50 3h24 s ASP 257 Cb 0.02 -2.27 -0.17 0.00 1.07 0.00 0.00 42.92 41.56 3h24 s ASP 257 CO 0.76 -0.63 1.34 0.58 1.18 0.00 0.00 175.17 178.40 3h24 h VAL 258 N 4.72 1.34 -0.34 -1.27 2.07 -1.94 -1.76 116.25 119.07 3h24 h VAL 258 Ca 0.16 -1.11 0.02 0.00 0.82 0.00 0.00 66.70 66.60 3h24 h VAL 258 Cb 0.98 1.94 -0.03 0.00 -1.52 0.00 0.00 31.29 32.66 3h24 h VAL 258 CO 0.95 0.30 0.17 0.50 0.02 0.00 0.00 177.57 179.51 3h24 h LYS 259 N -0.26 0.34 -0.34 1.57 3.64 -1.89 0.40 116.57 120.03 3h24 h LYS 259 Ca 0.01 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.26 3h24 h LYS 259 Cb 0.51 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 3h24 h LYS 259 CO 0.01 0.23 -0.21 0.93 -2.27 0.00 0.00 179.45 178.14 3h24 h GLU 260 N 0.35 0.74 0.00 1.90 3.07 -1.89 -2.66 114.58 116.09 3h24 h GLU 260 Ca 0.14 -0.34 -0.15 0.00 -0.50 0.00 0.00 59.36 58.51 3h24 h GLU 260 Cb 0.05 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.93 3h24 h GLU 260 CO -0.10 0.96 -0.70 0.52 -1.40 0.00 0.00 179.01 178.29 3h24 h MET 261 N 0.52 0.00 -0.65 2.33 2.86 -0.82 -2.29 114.93 116.87 3h24 h MET 261 Ca 0.07 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.64 3h24 h MET 261 Cb 0.76 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.40 3h24 h MET 261 CO 0.06 0.70 0.12 0.77 1.06 0.00 0.00 176.91 179.62 3h24 h SER 262 N 0.00 1.01 -0.10 1.22 0.02 -0.12 0.23 113.55 115.81 3h24 h SER 262 Ca -0.01 -0.23 0.01 0.00 -0.84 0.00 0.00 61.79 60.72 3h24 h SER 262 Cb 1.31 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.57 3h24 h SER 262 CO 0.09 0.99 0.04 0.03 -1.14 0.00 0.00 176.83 176.85 3h24 h ARG 263 N 1.00 0.09 -0.49 3.45 3.08 -1.41 -0.34 114.38 119.76 3h24 h ARG 263 Ca 0.20 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.18 3h24 h ARG 263 Cb 0.41 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 3h24 h ARG 263 CO 0.01 0.06 0.06 0.52 -1.07 0.00 0.00 179.97 179.55 3h24 h MET 264 N 0.10 0.82 -0.85 0.04 2.86 -0.83 -1.22 114.93 115.85 3h24 h MET 264 Ca 0.04 -0.23 0.06 0.00 -2.06 0.00 0.00 59.70 57.51 3h24 h MET 264 Cb 0.01 -0.09 -0.06 0.00 0.06 0.00 0.00 31.60 31.52 3h24 h MET 264 CO -0.03 0.83 0.52 0.00 1.06 0.00 0.00 176.91 179.30 3h24 h ALA 265 N 0.95 1.16 -0.43 6.32 0.00 -0.52 -1.04 119.26 125.70 3h24 h ALA 265 Ca 0.15 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 3h24 h ALA 265 Cb 0.43 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3h24 h ALA 265 CO 0.01 0.27 -0.32 -0.22 0.00 0.00 0.00 179.25 178.99 3h24 h LYS 266 N 0.96 0.97 -0.59 0.00 3.64 -0.38 -0.85 116.57 120.31 3h24 h LYS 266 Ca 0.37 -0.48 -0.07 0.00 -1.27 0.00 0.00 60.65 59.21 3h24 h LYS 266 Cb 0.16 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 3h24 h LYS 266 CO -0.17 1.14 0.10 1.98 -2.27 0.00 0.00 179.45 180.24 3h24 h MET 267 N 0.81 0.95 -0.03 1.90 4.05 -0.89 -2.19 114.93 119.54 3h24 h MET 267 Ca 0.08 -0.23 -0.00 0.00 -0.28 0.00 0.00 59.70 59.27 3h24 h MET 267 Cb 0.92 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 31.59 3h24 h MET 267 CO 0.09 0.88 0.01 0.52 0.23 0.00 0.00 176.91 178.63 3h24 h MET 268 N 0.90 0.04 -0.87 0.39 2.86 -0.82 -1.68 114.93 115.74 3h24 h MET 268 Ca 0.19 -0.01 0.23 0.00 -2.06 0.00 0.00 59.70 58.05 3h24 h MET 268 Cb 0.38 -0.01 -0.14 0.00 0.06 0.00 0.00 31.60 31.89 3h24 h MET 268 CO 0.01 0.25 0.18 -0.44 1.06 0.00 0.00 176.91 177.97 3h24 h ASP 269 N -0.18 -0.10 -0.29 1.22 3.45 -0.98 0.47 116.42 120.01 3h24 h ASP 269 Ca 0.01 0.21 -0.16 0.00 0.43 0.00 0.00 57.03 57.51 3h24 h ASP 269 Cb 0.23 0.30 -0.01 0.00 -0.56 0.00 0.00 39.33 39.29 3h24 h ASP 269 CO 0.00 -0.19 -0.42 0.00 -1.57 0.00 0.00 179.24 177.06 3h24 h ALA 270 N 1.80 0.61 -0.40 3.45 0.00 -1.05 -1.58 119.26 122.10 3h24 h ALA 270 Ca 0.54 -0.46 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 3h24 h ALA 270 Cb 1.09 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3h24 h ALA 270 CO -0.69 0.68 -0.35 0.52 0.00 0.00 0.00 179.25 179.41 3h24 h MET 271 N 0.69 0.94 -0.00 0.00 2.86 0.33 -2.82 114.93 116.92 3h24 h MET 271 Ca 0.05 -0.48 0.00 0.00 -2.06 0.00 0.00 59.70 57.21 3h24 h MET 271 Cb 1.00 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.67 3h24 h MET 271 CO 0.10 1.14 -0.05 0.44 1.06 0.00 0.00 176.91 179.59 3h24 n ILE 272 N -4.08 0.00 -1.01 -1.22 -5.35 0.13 -4.89 119.36 102.94 3h24 n ILE 272 Ca -0.02 -0.08 -0.00 0.00 -0.27 0.00 0.00 62.75 62.38 3h24 n ILE 272 Cb 0.53 -0.12 -0.00 0.00 -1.74 0.00 0.00 39.64 38.30 3h24 n ILE 272 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3h24 n GLY 273 N 1.18 0.47 0.00 3.28 0.00 -0.67 -5.06 105.19 104.38 3h24 n GLY 273 Ca 0.18 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3h24 n GLY 273 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49