#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hfu s ILE 2 N 0.00 1.99 -0.21 0.00 1.01 -1.26 -2.98 121.20 119.75 1hfu s ILE 2 Ca 0.00 -0.98 -0.11 0.00 0.00 0.00 0.00 60.65 59.56 1hfu s ILE 2 Cb 0.00 -1.72 -0.05 0.00 0.01 0.00 0.00 42.46 40.70 1hfu s ILE 2 CO 0.00 0.54 0.17 -0.69 0.00 0.00 0.00 174.94 174.96 1hfu s VAL 3 N 0.35 5.37 0.67 2.92 1.01 0.85 -4.98 120.40 126.59 1hfu s VAL 3 Ca -0.18 0.25 -0.05 0.00 0.00 0.00 0.00 61.98 62.00 1hfu s VAL 3 Cb -0.18 -3.51 0.05 0.00 0.00 0.00 0.00 36.38 32.75 1hfu s VAL 3 CO 0.08 0.40 0.96 0.20 0.00 0.00 0.00 175.10 176.74 1hfu s ASN 4 N 0.59 4.95 0.42 3.32 0.01 -1.26 -1.58 114.94 121.39 1hfu s ASN 4 Ca 0.09 0.37 0.12 0.00 -0.71 0.00 0.00 52.86 52.73 1hfu s ASN 4 Cb -0.12 -1.09 0.90 0.00 0.41 0.00 0.00 41.25 41.35 1hfu s ASN 4 CO 0.01 -1.47 1.97 0.77 -1.51 0.00 0.00 177.10 176.86 1hfu h SER 5 N -0.44 0.15 -3.67 -1.22 4.64 -1.92 -3.33 113.55 107.76 1hfu h SER 5 Ca -0.44 -0.02 -0.69 0.00 -0.47 0.00 0.00 61.79 60.17 1hfu h SER 5 Cb 1.31 -0.04 -0.29 0.00 -0.31 0.00 0.00 62.40 63.07 1hfu h SER 5 CO 0.59 0.28 -0.63 -0.69 -0.87 0.00 0.00 176.83 175.50 1hfu s VAL 6 N -4.78 3.62 0.21 0.95 1.01 -1.26 -1.12 120.40 119.03 1hfu s VAL 6 Ca -0.05 -1.11 -0.18 0.00 0.00 0.00 0.00 61.98 60.64 1hfu s VAL 6 Cb 0.16 -3.02 0.07 0.00 0.00 0.00 0.00 36.38 33.58 1hfu s VAL 6 CO 0.72 -0.11 0.90 -0.67 0.00 0.00 0.00 175.10 175.94 1hfu n ASP 7 N 4.78 -1.70 -4.44 3.32 -0.08 -0.38 -4.96 116.55 113.08 1hfu n ASP 7 Ca -0.13 -1.97 -0.33 0.00 -1.51 0.00 0.00 54.79 50.86 1hfu n ASP 7 Cb 0.45 2.79 -0.14 0.00 2.34 0.00 0.00 41.12 46.56 1hfu n ASP 7 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1hfu s THR 8 N -2.12 3.05 -0.35 5.18 2.01 -1.26 -1.18 115.64 120.98 1hfu s THR 8 Ca 0.20 -0.70 0.02 0.00 0.31 0.00 0.00 61.69 61.51 1hfu s THR 8 Cb -0.03 -2.22 0.10 0.00 0.01 0.00 0.00 72.50 70.35 1hfu s THR 8 CO 0.06 0.57 0.08 -0.04 -0.69 0.00 0.00 174.62 174.60 1hfu s MET 9 N -0.36 1.76 -0.27 4.92 -1.94 0.88 -4.90 119.30 119.39 1hfu s MET 9 Ca 0.04 -1.77 -0.17 0.00 -1.71 0.00 0.00 55.69 52.07 1hfu s MET 9 Cb -0.12 -3.29 -0.03 0.00 2.01 0.00 0.00 34.83 33.40 1hfu s MET 9 CO 0.02 -0.92 0.47 0.99 -0.01 0.00 0.00 175.02 175.57 1hfu s THR 10 N 1.01 5.10 -0.24 2.05 2.01 -1.26 -0.83 115.64 123.48 1hfu s THR 10 Ca 0.07 0.74 -0.15 0.00 0.31 0.00 0.00 61.69 62.66 1hfu s THR 10 Cb -0.20 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 1hfu s THR 10 CO -0.06 0.08 0.38 -0.76 -0.69 0.00 0.00 174.62 173.58 1hfu s LEU 11 N 2.24 4.09 0.22 4.42 1.02 -0.19 -1.01 118.68 129.48 1hfu s LEU 11 Ca 0.19 0.39 0.02 0.00 0.02 0.00 0.00 54.13 54.75 1hfu s LEU 11 Cb -0.16 -2.46 -0.05 0.00 0.02 0.00 0.00 46.19 43.54 1hfu s LEU 11 CO 0.10 -0.14 0.02 0.42 0.02 0.00 0.00 176.35 176.78 1hfu s THR 12 N 1.73 0.83 0.04 5.49 -4.23 -0.84 -0.96 115.64 117.70 1hfu s THR 12 Ca 0.17 -2.01 -0.05 0.00 -1.18 0.00 0.00 61.69 58.62 1hfu s THR 12 Cb -0.15 -2.37 -0.05 0.00 1.34 0.00 0.00 72.50 71.27 1hfu s THR 12 CO 0.09 -0.28 0.27 0.20 -0.54 0.00 0.00 174.62 174.36 1hfu s ASN 13 N -3.28 6.46 0.21 3.99 -0.87 -1.26 -0.41 114.94 119.78 1hfu s ASN 13 Ca 0.30 0.49 -0.18 0.00 -1.57 0.00 0.00 52.86 51.89 1hfu s ASN 13 Cb 0.06 -2.06 0.03 0.00 -0.02 0.00 0.00 41.25 39.27 1hfu s ASN 13 CO 0.09 0.20 0.56 0.00 -2.57 0.00 0.00 177.10 175.38 1hfu s ALA 14 N -1.41 -1.03 -0.07 0.60 0.00 -1.01 -4.90 121.76 113.94 1hfu s ALA 14 Ca 0.32 -0.19 -0.18 0.00 0.00 0.00 0.00 51.96 51.91 1hfu s ALA 14 Cb -0.13 0.87 -0.05 0.00 0.00 0.00 0.00 23.12 23.81 1hfu s ALA 14 CO 0.20 -0.84 0.49 -0.80 0.00 0.00 0.00 175.76 174.81 1hfu s ASN 15 N -2.87 6.77 0.10 0.00 0.01 -1.26 0.18 114.94 117.86 1hfu s ASN 15 Ca 0.09 0.91 0.04 0.00 -0.71 0.00 0.00 52.86 53.19 1hfu s ASN 15 Cb -0.02 -2.29 -0.04 0.00 0.41 0.00 0.00 41.25 39.31 1hfu s ASN 15 CO -0.02 0.09 -0.11 0.68 -1.51 0.00 0.00 177.10 176.23 1hfu s VAL 16 N 0.12 0.98 -0.40 1.60 -7.23 0.15 -4.91 120.40 110.71 1hfu s VAL 16 Ca 0.26 -1.63 0.10 0.00 -1.81 0.00 0.00 61.98 58.90 1hfu s VAL 16 Cb -0.16 -1.36 0.34 0.00 0.56 0.00 0.00 36.38 35.76 1hfu s VAL 16 CO 0.12 -0.54 0.91 -1.20 -0.31 0.00 0.00 175.10 174.08 1hfu n SER 17 N 0.58 -0.47 0.30 4.85 7.64 -1.26 -1.01 113.62 124.25 1hfu n SER 17 Ca -0.16 -3.26 0.17 0.00 1.01 0.00 0.00 58.87 56.63 1hfu n SER 17 Cb 0.57 0.43 0.93 0.00 -1.01 0.00 0.00 64.21 65.14 1hfu n SER 17 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1hfu h PRO 18 N 2.97 0.00 -0.02 1.43 0.13 -1.86 -1.37 132.00 133.29 1hfu h PRO 18 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1hfu h PRO 18 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1hfu h PRO 18 CO 0.34 0.04 0.00 -0.40 -0.23 0.00 0.00 178.00 177.75 1hfu n ASP 19 N -3.47 2.19 0.00 1.44 5.75 -1.26 -2.83 116.55 118.38 1hfu n ASP 19 Ca -0.02 -2.40 0.00 0.00 -0.01 0.00 0.00 54.79 52.36 1hfu n ASP 19 Cb 0.15 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 1hfu n ASP 19 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1hfu n GLY 20 N -0.80 0.86 3.56 6.12 0.00 -0.52 -4.45 105.19 109.97 1hfu n GLY 20 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1hfu n GLY 20 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1hfu s PHE 21 N -3.03 3.10 -0.06 1.61 5.36 -1.26 -4.89 117.98 118.81 1hfu s PHE 21 Ca 0.00 -0.13 -0.17 0.00 -0.96 0.00 0.00 56.93 55.68 1hfu s PHE 21 Cb 0.00 -1.95 -0.05 0.00 -0.34 0.00 0.00 43.02 40.68 1hfu s PHE 21 CO 0.00 0.10 0.44 0.99 -1.46 0.00 0.00 175.22 175.29 1hfu s THR 22 N 0.13 5.09 0.19 0.12 2.01 -1.26 -4.04 115.64 117.89 1hfu s THR 22 Ca 0.01 0.90 -0.12 0.00 0.31 0.00 0.00 61.69 62.79 1hfu s THR 22 Cb -0.13 -3.77 0.00 0.00 0.01 0.00 0.00 72.50 68.61 1hfu s THR 22 CO 0.02 0.46 0.39 0.00 -0.69 0.00 0.00 174.62 174.79 1hfu s ARG 23 N -0.25 1.31 0.14 4.92 1.70 -0.18 -4.96 118.95 121.63 1hfu s ARG 23 Ca 0.25 -1.13 -0.25 0.00 -0.47 0.00 0.00 55.73 54.13 1hfu s ARG 23 Cb -0.16 0.43 -0.08 0.00 -0.57 0.00 0.00 34.95 34.58 1hfu s ARG 23 CO 0.12 -0.52 0.76 0.00 -1.08 0.00 0.00 175.30 174.59 1hfu s ALA 24 N -3.96 3.45 0.00 7.88 0.00 -1.26 0.33 121.76 128.20 1hfu s ALA 24 Ca 0.17 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.46 1hfu s ALA 24 Cb 0.01 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.19 1hfu s ALA 24 CO 0.02 0.27 0.00 0.41 0.00 0.00 0.00 175.76 176.46 1hfu n GLY 25 N 1.70 5.00 3.07 0.00 0.00 0.13 -4.85 105.19 110.23 1hfu n GLY 25 Ca -0.06 -1.28 -0.23 0.00 0.00 0.00 0.00 46.02 44.46 1hfu n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hfu s ILE 26 N -0.76 1.08 0.22 -0.61 1.01 -1.23 -2.40 121.20 118.52 1hfu s ILE 26 Ca 0.00 -0.53 0.11 0.00 0.00 0.00 0.00 60.65 60.24 1hfu s ILE 26 Cb 0.00 -0.94 -0.05 0.00 0.01 0.00 0.00 42.46 41.49 1hfu s ILE 26 CO 0.00 0.32 -0.21 -0.76 0.00 0.00 0.00 174.94 174.29 1hfu s LEU 27 N 0.08 2.53 -0.22 2.97 1.02 0.45 -4.66 118.68 120.86 1hfu s LEU 27 Ca -0.02 -0.91 0.01 0.00 0.02 0.00 0.00 54.13 53.23 1hfu s LEU 27 Cb -0.09 -1.18 0.05 0.00 0.02 0.00 0.00 46.19 44.98 1hfu s LEU 27 CO 0.01 0.09 -0.10 -0.69 0.02 0.00 0.00 176.35 175.67 1hfu s VAL 28 N -1.98 1.77 -1.45 -1.59 1.01 0.25 -1.98 120.40 116.42 1hfu s VAL 28 Ca 0.24 -1.17 -0.11 0.00 0.00 0.00 0.00 61.98 60.95 1hfu s VAL 28 Cb -0.07 -1.86 0.05 0.00 0.00 0.00 0.00 36.38 34.50 1hfu s VAL 28 CO 0.12 0.11 1.01 0.59 0.00 0.00 0.00 175.10 176.94 1hfu n ASN 29 N 4.62 -5.58 -0.09 3.32 3.02 -0.18 -1.80 115.26 118.57 1hfu n ASN 29 Ca -0.15 -0.61 -0.01 0.00 -0.03 0.00 0.00 54.58 53.78 1hfu n ASN 29 Cb 0.45 -4.43 -0.01 0.00 -0.61 0.00 0.00 39.78 35.19 1hfu n ASN 29 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hfu n GLY 30 N -1.79 0.44 3.24 7.41 0.00 -1.26 -4.86 105.19 108.37 1hfu n GLY 30 Ca 0.01 -0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 1hfu n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hfu s VAL 31 N -1.78 1.47 -0.57 1.61 1.01 -0.75 -5.04 120.40 116.35 1hfu s VAL 31 Ca 0.00 -1.44 -0.24 0.00 0.00 0.00 0.00 61.98 60.29 1hfu s VAL 31 Cb 0.00 -1.36 0.04 0.00 0.00 0.00 0.00 36.38 35.06 1hfu s VAL 31 CO 0.00 -0.12 0.97 -2.28 0.00 0.00 0.00 175.10 173.67 1hfu s HIS 32 N -1.20 2.75 -1.18 5.22 2.46 -1.26 -0.58 115.29 121.50 1hfu s HIS 32 Ca 0.03 -0.06 -0.09 0.00 0.47 0.00 0.00 55.06 55.41 1hfu s HIS 32 Cb -0.10 -4.14 -0.02 0.00 -0.13 0.00 0.00 32.58 28.19 1hfu s HIS 32 CO 0.03 -1.42 0.80 0.41 -2.47 0.00 0.00 174.74 172.09 1hfu n GLY 33 N 5.15 -0.77 3.66 1.59 0.00 -1.26 -4.97 105.19 108.58 1hfu n GLY 33 Ca 0.01 0.37 -0.35 0.00 0.00 0.00 0.00 46.02 46.05 1hfu n GLY 33 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hfu n PRO 34 N -3.96 0.57 -2.51 1.61 -0.04 -1.26 -4.46 135.00 124.94 1hfu n PRO 34 Ca -0.17 0.26 -0.41 0.00 -0.04 0.00 0.00 63.50 63.14 1hfu n PRO 34 Cb 0.63 -2.33 -0.04 0.00 -0.04 0.00 0.00 33.50 31.72 1hfu n PRO 34 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1hfu s LEU 35 N -3.91 4.51 -0.16 1.53 2.96 -1.16 -4.25 118.68 118.21 1hfu s LEU 35 Ca 0.75 2.13 -0.06 0.00 -0.22 0.00 0.00 54.13 56.73 1hfu s LEU 35 Cb -0.34 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.70 1hfu s LEU 35 CO 0.48 -0.18 0.06 -0.63 -1.32 0.00 0.00 176.35 174.76 1hfu s ILE 36 N -0.52 4.82 0.04 6.68 1.01 -0.34 -0.10 121.20 132.79 1hfu s ILE 36 Ca 0.48 -0.03 0.01 0.00 0.00 0.00 0.00 60.65 61.10 1hfu s ILE 36 Cb -0.30 -3.14 -0.03 0.00 0.01 0.00 0.00 42.46 39.01 1hfu s ILE 36 CO 0.36 0.51 -0.05 0.00 0.00 0.00 0.00 174.94 175.77 1hfu s ARG 37 N -0.08 0.48 0.09 2.79 1.70 -0.61 -1.45 118.95 121.87 1hfu s ARG 37 Ca 0.07 -0.84 -0.10 0.00 -0.47 0.00 0.00 55.73 54.40 1hfu s ARG 37 Cb -0.12 -0.02 0.03 0.00 -0.57 0.00 0.00 34.95 34.28 1hfu s ARG 37 CO 0.01 -0.03 0.46 0.41 -1.08 0.00 0.00 175.30 175.07 1hfu n GLY 38 N 1.12 1.02 3.85 3.88 0.00 -0.91 -3.10 105.19 111.06 1hfu n GLY 38 Ca -0.21 -1.03 -0.21 0.00 0.00 0.00 0.00 46.02 44.57 1hfu n GLY 38 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hfu s GLY 39 N -2.54 1.57 0.59 -0.02 0.00 -1.26 -1.32 107.32 104.34 1hfu s GLY 39 Ca 0.10 -1.52 0.35 0.00 0.00 0.00 0.00 44.72 43.66 1hfu s GLY 39 CO 0.03 -1.50 2.19 0.07 0.00 0.00 0.00 173.10 173.89 1hfu h LYS 40 N 1.34 0.00 -0.41 2.90 2.10 -1.73 -2.05 116.57 118.72 1hfu h LYS 40 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1hfu h LYS 40 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1hfu h LYS 40 CO 0.59 0.04 0.00 0.09 -2.00 0.00 0.00 179.45 178.17 1hfu n ASN 41 N -3.38 3.27 -4.76 7.07 3.02 -1.26 -0.73 115.26 118.49 1hfu n ASN 41 Ca -0.02 -1.93 -0.38 0.00 -0.03 0.00 0.00 54.58 52.22 1hfu n ASN 41 Cb 0.17 -0.27 0.02 0.00 -0.61 0.00 0.00 39.78 39.09 1hfu n ASN 41 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1hfu s ASP 42 N -1.20 5.61 -0.68 6.41 1.01 -0.77 -4.89 116.67 122.17 1hfu s ASP 42 Ca 0.34 2.55 -0.17 0.00 0.71 0.00 0.00 52.55 55.99 1hfu s ASP 42 Cb 0.19 -2.62 0.15 0.00 1.01 0.00 0.00 42.92 41.65 1hfu s ASP 42 CO 0.26 -1.32 0.70 0.20 0.21 0.00 0.00 175.17 175.22 1hfu s ASN 43 N -1.17 6.39 0.29 0.27 0.01 -1.26 -4.12 114.94 115.35 1hfu s ASN 43 Ca 0.69 -1.95 -0.29 0.00 -0.71 0.00 0.00 52.86 50.60 1hfu s ASN 43 Cb -0.35 -2.26 -0.10 0.00 0.41 0.00 0.00 41.25 38.96 1hfu s ASN 43 CO 0.41 -0.88 1.13 -0.36 -1.51 0.00 0.00 177.10 175.89 1hfu s PHE 44 N 1.66 3.48 -0.30 2.20 0.40 0.11 -4.70 117.98 120.82 1hfu s PHE 44 Ca 0.13 1.65 -0.03 0.00 -0.60 0.00 0.00 56.93 58.08 1hfu s PHE 44 Cb -0.20 -3.34 0.11 0.00 0.51 0.00 0.00 43.02 40.10 1hfu s PHE 44 CO -0.01 -0.76 0.15 -1.21 0.70 0.00 0.00 175.22 174.09 1hfu s GLU 45 N -1.54 0.27 -0.33 0.44 2.02 -0.28 -2.16 118.70 117.13 1hfu s GLU 45 Ca 0.46 -0.71 -0.02 0.00 0.02 0.00 0.00 54.97 54.72 1hfu s GLU 45 Cb -0.33 -1.20 0.06 0.00 0.10 0.00 0.00 34.13 32.76 1hfu s GLU 45 CO 0.42 -1.06 0.05 -0.51 0.02 0.00 0.00 175.26 174.18 1hfu s LEU 46 N 1.87 4.23 -0.43 1.80 1.43 -0.03 -1.25 118.68 126.30 1hfu s LEU 46 Ca 0.11 -1.45 -0.25 0.00 -1.03 0.00 0.00 54.13 51.51 1hfu s LEU 46 Cb -0.18 -1.74 0.02 0.00 0.03 0.00 0.00 46.19 44.33 1hfu s LEU 46 CO -0.29 -0.33 0.92 0.21 0.23 0.00 0.00 176.35 177.10 1hfu s ASN 47 N 1.36 6.54 -0.41 2.29 2.47 -0.32 -1.05 114.94 125.83 1hfu s ASN 47 Ca -0.02 0.24 -0.21 0.00 0.42 0.00 0.00 52.86 53.30 1hfu s ASN 47 Cb -0.20 -2.45 0.02 0.00 -1.45 0.00 0.00 41.25 37.16 1hfu s ASN 47 CO -0.02 -0.99 0.64 -0.69 -3.72 0.00 0.00 177.10 172.32 1hfu s VAL 48 N 3.66 4.85 -0.35 -5.21 1.01 0.20 -0.08 120.40 124.48 1hfu s VAL 48 Ca 0.37 0.28 -0.12 0.00 0.00 0.00 0.00 61.98 62.51 1hfu s VAL 48 Cb -0.11 -4.16 -0.00 0.00 0.00 0.00 0.00 36.38 32.11 1hfu s VAL 48 CO 0.24 -0.49 0.22 -0.69 0.00 0.00 0.00 175.10 174.37 1hfu s VAL 49 N 2.78 4.99 -0.59 2.92 1.01 -0.01 -1.06 120.40 130.45 1hfu s VAL 49 Ca 0.23 -0.42 -0.22 0.00 0.00 0.00 0.00 61.98 61.58 1hfu s VAL 49 Cb -0.14 -3.62 0.06 0.00 0.00 0.00 0.00 36.38 32.68 1hfu s VAL 49 CO 0.18 -0.06 0.86 0.21 0.00 0.00 0.00 175.10 176.29 1hfu s ASN 50 N 1.66 6.24 -0.24 3.32 3.84 -0.07 -1.03 114.94 128.66 1hfu s ASN 50 Ca 0.05 -0.82 0.13 0.00 0.21 0.00 0.00 52.86 52.43 1hfu s ASN 50 Cb -0.18 -2.39 0.54 0.00 -0.55 0.00 0.00 41.25 38.67 1hfu s ASN 50 CO 0.09 -1.23 1.48 0.47 -2.79 0.00 0.00 177.10 175.12 1hfu n ASP 51 N 7.19 3.34 -4.74 -4.21 8.00 -0.14 -0.45 116.55 125.54 1hfu n ASP 51 Ca -0.03 -3.37 -0.42 0.00 0.71 0.00 0.00 54.79 51.69 1hfu n ASP 51 Cb 0.46 -0.61 -0.03 0.00 -0.02 0.00 0.00 41.12 40.92 1hfu n ASP 51 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1hfu s LEU 52 N -3.03 4.39 0.00 0.64 1.43 -1.16 -4.58 118.68 116.37 1hfu s LEU 52 Ca 0.44 2.52 0.00 0.00 -1.03 0.00 0.00 54.13 56.07 1hfu s LEU 52 Cb 0.38 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.99 1hfu s LEU 52 CO 0.05 -0.65 0.05 -0.90 0.23 0.00 0.00 176.35 175.13 1hfu n ASP 53 N 2.85 0.00 -4.57 2.29 5.75 -1.26 -4.79 116.55 116.82 1hfu n ASP 53 Ca 0.08 -1.00 -0.42 0.00 -0.01 0.00 0.00 54.79 53.44 1hfu n ASP 53 Cb 0.41 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.45 1hfu n ASP 53 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1hfu s ASN 54 N 0.00 6.49 0.00 -1.12 3.84 -1.26 -4.94 114.94 117.96 1hfu s ASN 54 Ca 0.00 0.19 0.15 0.00 0.21 0.00 0.00 52.86 53.42 1hfu s ASN 54 Cb 0.00 -2.38 0.76 0.00 -0.55 0.00 0.00 41.25 39.08 1hfu s ASN 54 CO 0.00 -0.75 1.44 -0.81 -2.79 0.00 0.00 177.10 174.19 1hfu n PRO 55 N 6.42 0.19 0.00 0.43 -0.04 -1.26 -2.42 135.00 138.32 1hfu n PRO 55 Ca 0.02 0.15 0.14 0.00 -0.04 0.00 0.00 63.50 63.78 1hfu n PRO 55 Cb 0.48 -1.50 0.66 0.00 -0.04 0.00 0.00 33.50 33.10 1hfu n PRO 55 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1hfu n THR 56 N -1.31 0.00 -4.42 0.52 -2.24 -1.26 -0.38 114.28 105.19 1hfu n THR 56 Ca 0.07 -0.04 -0.21 0.00 -2.27 0.00 0.00 64.05 61.60 1hfu n THR 56 Cb 0.13 -0.21 -0.10 0.00 -2.10 0.00 0.00 70.33 68.05 1hfu n THR 56 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1hfu s MET 57 N -2.49 1.52 0.47 -0.78 -1.94 -1.02 -4.44 119.30 110.63 1hfu s MET 57 Ca 0.29 -1.76 -0.24 0.00 -1.71 0.00 0.00 55.69 52.27 1hfu s MET 57 Cb 0.20 -1.18 -0.07 0.00 2.01 0.00 0.00 34.83 35.79 1hfu s MET 57 CO 0.47 0.07 1.37 -0.51 -0.01 0.00 0.00 175.02 176.41 1hfu s LEU 58 N -3.43 4.05 -0.25 -0.03 1.43 -1.26 -4.87 118.68 114.32 1hfu s LEU 58 Ca 0.28 2.78 -0.10 0.00 -1.03 0.00 0.00 54.13 56.06 1hfu s LEU 58 Cb 0.03 -4.05 -0.11 0.00 0.03 0.00 0.00 46.19 42.08 1hfu s LEU 58 CO 0.11 -1.21 -0.30 0.54 0.23 0.00 0.00 176.35 175.71 1hfu n ARG 59 N -0.40 0.53 -0.70 1.70 1.74 -1.26 -4.97 116.66 113.30 1hfu n ARG 59 Ca 0.07 0.22 -0.31 0.00 -0.77 0.00 0.00 57.85 57.06 1hfu n ARG 59 Cb 0.43 -1.39 0.18 0.00 -1.02 0.00 0.00 32.46 30.66 1hfu n ARG 59 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 1hfu s PRO 60 N -2.45 0.79 0.27 5.56 0.02 -1.26 -4.57 135.00 133.35 1hfu s PRO 60 Ca -0.34 1.43 -0.10 0.00 0.02 0.00 0.00 61.00 62.01 1hfu s PRO 60 Cb 0.13 -1.71 -0.00 0.00 0.02 0.00 0.00 34.50 32.93 1hfu s PRO 60 CO 0.45 -2.75 0.47 -0.08 -0.33 0.00 0.00 177.00 174.76 1hfu s THR 61 N -2.64 0.00 -0.28 0.99 -1.32 -0.53 -4.94 115.64 106.93 1hfu s THR 61 Ca 0.67 -1.47 -0.19 0.00 -1.21 0.00 0.00 61.69 59.48 1hfu s THR 61 Cb -0.23 -2.35 0.08 0.00 -1.51 0.00 0.00 72.50 68.49 1hfu s THR 61 CO 0.59 0.00 0.71 -0.55 -2.21 0.00 0.00 174.62 173.16 1hfu s SER 62 N -3.07 -0.86 -0.17 8.08 0.15 -1.26 0.07 113.70 116.64 1hfu s SER 62 Ca 0.25 1.46 -0.04 0.00 0.70 0.00 0.00 55.95 58.32 1hfu s SER 62 Cb -0.00 1.40 -0.02 0.00 -1.71 0.00 0.00 66.02 65.69 1hfu s SER 62 CO 0.12 -0.24 -0.03 -0.63 1.20 0.00 0.00 173.24 173.65 1hfu s ILE 63 N 1.15 3.84 -0.10 6.45 -1.09 -1.26 -0.20 121.20 129.99 1hfu s ILE 63 Ca -0.06 -0.37 -0.11 0.00 -2.23 0.00 0.00 60.65 57.88 1hfu s ILE 63 Cb -0.05 -2.70 -0.05 0.00 -1.58 0.00 0.00 42.46 38.09 1hfu s ILE 63 CO -0.12 0.47 0.24 -2.28 -1.23 0.00 0.00 174.94 172.02 1hfu s HIS 64 N 0.59 3.59 -0.92 3.97 5.65 0.05 -3.97 115.29 124.26 1hfu s HIS 64 Ca -0.02 0.65 -0.07 0.00 0.25 0.00 0.00 55.06 55.86 1hfu s HIS 64 Cb -0.14 -2.13 0.23 0.00 -1.18 0.00 0.00 32.58 29.36 1hfu s HIS 64 CO 0.02 0.58 0.84 -1.58 -0.65 0.00 0.00 174.74 173.96 1hfu s TRP 65 N -0.63 3.93 -0.03 3.88 0.52 -1.25 -1.84 118.94 123.51 1hfu s TRP 65 Ca 0.17 -2.63 -0.30 0.00 0.02 0.00 0.00 56.10 53.36 1hfu s TRP 65 Cb -0.13 -3.58 -0.07 0.00 -1.15 0.00 0.00 33.47 28.54 1hfu s TRP 65 CO 0.06 -0.88 1.91 -1.58 0.02 0.00 0.00 176.95 176.48 1hfu s HIS 66 N -0.79 1.46 0.00 -1.98 2.46 0.22 -2.45 115.29 114.19 1hfu s HIS 66 Ca 0.25 -0.15 0.00 0.00 0.47 0.00 0.00 55.06 55.63 1hfu s HIS 66 Cb -0.11 -4.13 0.00 0.00 -0.13 0.00 0.00 32.58 28.22 1hfu s HIS 66 CO -0.09 -4.89 0.00 0.41 -2.47 0.00 0.00 174.74 167.71 1hfu n GLY 67 N 4.61 2.20 3.74 1.59 0.00 -1.26 -3.51 105.19 112.56 1hfu n GLY 67 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 1hfu n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hfu s LEU 68 N 0.00 4.47 0.41 0.99 1.43 -1.03 -4.92 118.68 120.03 1hfu s LEU 68 Ca 0.00 1.61 0.22 0.00 -1.03 0.00 0.00 54.13 54.94 1hfu s LEU 68 Cb 0.00 -3.40 0.61 0.00 0.03 0.00 0.00 46.19 43.43 1hfu s LEU 68 CO 0.00 -0.03 1.69 -0.26 0.23 0.00 0.00 176.35 177.99 1hfu h PHE 69 N 5.64 0.00 -5.63 0.29 0.04 -1.90 -3.40 116.94 111.99 1hfu h PHE 69 Ca -0.43 0.00 -0.42 0.00 2.80 0.00 0.00 57.97 59.92 1hfu h PHE 69 Cb 1.21 0.00 0.08 0.00 2.20 0.00 0.00 35.95 39.44 1hfu h PHE 69 CO 0.65 0.24 -0.68 1.04 -0.60 0.00 0.00 178.31 178.96 1hfu n GLN 70 N -3.26 -6.66 -1.80 1.51 1.13 -1.26 -4.29 117.38 102.75 1hfu n GLN 70 Ca 0.01 0.79 -0.42 0.00 -1.94 0.00 0.00 57.00 55.44 1hfu n GLN 70 Cb 0.52 -5.76 -0.03 0.00 0.11 0.00 0.00 30.24 25.08 1hfu n GLN 70 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1hfu s ARG 71 N -6.24 4.16 0.00 -1.09 0.52 -1.26 -1.22 118.95 113.82 1hfu s ARG 71 Ca 0.54 2.47 0.00 0.00 -0.52 0.00 0.00 55.73 58.22 1hfu s ARG 71 Cb -0.25 -3.82 0.00 0.00 0.52 0.00 0.00 34.95 31.40 1hfu s ARG 71 CO 0.66 -0.85 0.00 0.41 0.02 0.00 0.00 175.30 175.55 1hfu n GLY 72 N 4.25 0.84 2.69 -3.53 0.00 -1.26 -4.85 105.19 103.33 1hfu n GLY 72 Ca 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 1hfu n GLY 72 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hfu n THR 73 N -2.14 1.34 -0.04 2.61 -2.24 -0.36 -4.14 114.28 109.31 1hfu n THR 73 Ca 0.00 -3.18 0.10 0.00 -2.27 0.00 0.00 64.05 58.70 1hfu n THR 73 Cb 0.01 0.76 0.49 0.00 -2.10 0.00 0.00 70.33 69.49 1hfu n THR 73 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 1hfu h ASN 74 N 2.70 0.36 0.25 3.42 -0.73 -1.87 0.19 115.58 119.90 1hfu h ASN 74 Ca -0.06 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.11 1hfu h ASN 74 Cb 1.24 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 39.76 1hfu h ASN 74 CO 0.37 0.23 0.00 -2.67 -0.37 0.00 0.00 177.43 174.99 1hfu n TRP 75 N -4.47 0.41 1.00 0.67 4.27 -1.26 -1.81 117.44 116.23 1hfu n TRP 75 Ca 0.07 0.19 0.12 0.00 -3.89 0.00 0.00 57.50 53.99 1hfu n TRP 75 Cb 0.28 -0.80 0.08 0.00 -1.36 0.00 0.00 31.31 29.51 1hfu n TRP 75 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1hfu n ALA 76 N -1.65 2.68 0.24 -1.67 0.00 0.05 -4.59 120.51 115.57 1hfu n ALA 76 Ca 0.01 -0.68 0.11 0.00 0.00 0.00 0.00 53.44 52.88 1hfu n ALA 76 Cb 0.09 -0.80 0.58 0.00 0.00 0.00 0.00 19.45 19.32 1hfu n ALA 76 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1hfu h ASP 77 N 4.24 0.00 0.00 0.00 3.58 -1.42 -3.44 116.42 119.38 1hfu h ASP 77 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1hfu h ASP 77 Cb 0.95 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.00 1hfu h ASP 77 CO 0.00 0.18 0.00 0.61 -2.88 0.00 0.00 179.24 177.15 1hfu n GLY 78 N -0.22 1.10 3.63 -0.78 0.00 -1.25 -3.94 105.19 103.72 1hfu n GLY 78 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1hfu n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hfu s ALA 79 N -2.49 3.40 0.29 4.61 0.00 -1.26 -4.18 121.76 122.14 1hfu s ALA 79 Ca 0.00 -0.12 -0.30 0.00 0.00 0.00 0.00 51.96 51.54 1hfu s ALA 79 Cb 0.00 -3.74 -0.13 0.00 0.00 0.00 0.00 23.12 19.26 1hfu s ALA 79 CO 0.00 -1.70 1.38 -3.47 0.00 0.00 0.00 175.76 171.97 1hfu n ASP 80 N 7.20 2.89 0.00 0.00 2.03 -1.12 -0.63 116.55 126.92 1hfu n ASP 80 Ca 0.12 1.17 0.00 0.00 0.52 0.00 0.00 54.79 56.61 1hfu n ASP 80 Cb 0.47 -1.47 0.00 0.00 -0.72 0.00 0.00 41.12 39.40 1hfu n ASP 80 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1hfu n GLY 81 N 1.52 2.53 0.99 0.27 0.00 -0.71 -4.73 105.19 105.06 1hfu n GLY 81 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.09 1hfu n GLY 81 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1hfu n VAL 82 N -2.00 0.92 -0.03 1.61 0.31 -0.61 -2.00 118.33 116.54 1hfu n VAL 82 Ca 0.00 0.28 0.05 0.00 -0.01 0.00 0.00 64.34 64.66 1hfu n VAL 82 Cb 0.00 -1.59 -0.15 0.00 -0.91 0.00 0.00 33.84 31.18 1hfu n VAL 82 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1hfu n ASN 83 N -3.41 0.45 -3.86 4.52 4.13 0.19 -0.83 115.26 116.45 1hfu n ASN 83 Ca -0.01 0.00 -0.07 0.00 1.68 0.00 0.00 54.58 56.17 1hfu n ASN 83 Cb 0.16 1.67 -0.02 0.00 -1.54 0.00 0.00 39.78 40.04 1hfu n ASN 83 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1hfu s GLN 84 N -3.15 1.73 0.48 3.52 -2.07 -1.20 -4.52 119.66 114.45 1hfu s GLN 84 Ca -0.08 -1.01 -0.02 0.00 -1.82 0.00 0.00 55.36 52.43 1hfu s GLN 84 Cb 0.11 0.59 -0.01 0.00 -1.09 0.00 0.00 33.01 32.61 1hfu s GLN 84 CO 0.81 -0.78 0.73 0.00 -1.32 0.00 0.00 175.29 174.73 1hfu s PRO 86 N -4.67 2.43 -0.14 0.00 0.02 -1.26 -4.80 135.00 126.57 1hfu s PRO 86 Ca 0.48 1.63 -0.28 0.00 0.02 0.00 0.00 61.00 62.86 1hfu s PRO 86 Cb -0.10 -1.88 -0.01 0.00 0.02 0.00 0.00 34.50 32.53 1hfu s PRO 86 CO 0.41 -1.59 0.94 0.42 -0.33 0.00 0.00 177.00 176.86 1hfu s ILE 87 N -2.09 4.81 0.42 2.83 1.01 0.11 -4.74 121.20 123.55 1hfu s ILE 87 Ca 0.72 1.89 -0.14 0.00 0.00 0.00 0.00 60.65 63.12 1hfu s ILE 87 Cb -0.26 -4.25 -0.08 0.00 0.01 0.00 0.00 42.46 37.89 1hfu s ILE 87 CO 0.43 -0.01 0.84 -0.44 0.00 0.00 0.00 174.94 175.76 1hfu s SER 88 N 1.12 6.63 0.07 3.58 0.01 -1.26 -1.46 113.70 122.41 1hfu s SER 88 Ca 0.44 1.33 -0.35 0.00 1.31 0.00 0.00 55.95 58.68 1hfu s SER 88 Cb -0.17 -2.40 -0.14 0.00 0.21 0.00 0.00 66.02 63.51 1hfu s SER 88 CO 0.14 -0.41 1.57 -2.65 0.41 0.00 0.00 173.24 172.31 1hfu n PRO 89 N -1.13 1.83 -0.53 12.44 -0.02 -1.26 -1.35 135.00 144.98 1hfu n PRO 89 Ca 0.04 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1hfu n PRO 89 Cb 0.54 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1hfu n PRO 89 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hfu n GLY 90 N 3.38 0.74 3.41 -1.23 0.00 0.40 -5.04 105.19 106.86 1hfu n GLY 90 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 1hfu n GLY 90 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1hfu s HIS 91 N -2.12 1.85 0.23 1.61 3.76 -0.46 -4.97 115.29 115.19 1hfu s HIS 91 Ca 0.00 -0.89 0.02 0.00 -0.15 0.00 0.00 55.06 54.04 1hfu s HIS 91 Cb 0.00 -1.14 -0.05 0.00 1.11 0.00 0.00 32.58 32.50 1hfu s HIS 91 CO 0.00 0.05 0.03 0.00 -0.85 0.00 0.00 174.74 173.98 1hfu s ALA 92 N -3.27 1.68 -0.12 -1.40 0.00 -1.26 -0.89 121.76 116.50 1hfu s ALA 92 Ca 0.33 -1.77 -0.07 0.00 0.00 0.00 0.00 51.96 50.45 1hfu s ALA 92 Cb 0.07 0.70 0.04 0.00 0.00 0.00 0.00 23.12 23.93 1hfu s ALA 92 CO 0.13 -0.34 0.28 0.12 0.00 0.00 0.00 175.76 175.94 1hfu s PHE 93 N -3.59 -0.37 -0.52 0.00 5.36 -0.22 -4.97 117.98 113.66 1hfu s PHE 93 Ca 0.31 0.86 -0.17 0.00 -0.96 0.00 0.00 56.93 56.97 1hfu s PHE 93 Cb 0.07 0.10 0.08 0.00 -0.34 0.00 0.00 43.02 42.92 1hfu s PHE 93 CO 0.09 -0.24 0.55 -1.17 -1.46 0.00 0.00 175.22 173.00 1hfu s LEU 94 N 1.07 5.43 0.06 6.12 2.96 -1.26 -0.63 118.68 132.44 1hfu s LEU 94 Ca -0.08 -1.27 -0.28 0.00 -0.22 0.00 0.00 54.13 52.29 1hfu s LEU 94 Cb -0.08 -2.30 -0.05 0.00 0.50 0.00 0.00 46.19 44.25 1hfu s LEU 94 CO -0.08 -0.85 0.88 -0.31 -1.32 0.00 0.00 176.35 174.67 1hfu s TYR 95 N 2.18 3.75 -0.06 5.38 1.51 -0.21 -4.90 117.35 125.00 1hfu s TYR 95 Ca 0.09 1.64 0.02 0.00 -1.01 0.00 0.00 57.07 57.81 1hfu s TYR 95 Cb -0.23 -2.97 0.01 0.00 -0.11 0.00 0.00 41.96 38.66 1hfu s TYR 95 CO 0.08 0.19 -0.10 0.15 -1.11 0.00 0.00 175.55 174.76 1hfu s LYS 96 N 0.18 1.42 0.17 -0.62 1.02 -1.26 -0.85 119.74 119.80 1hfu s LYS 96 Ca 0.44 -0.33 -0.23 0.00 0.02 0.00 0.00 55.97 55.87 1hfu s LYS 96 Cb -0.22 -1.22 0.07 0.00 -0.52 0.00 0.00 37.83 35.95 1hfu s LYS 96 CO 0.26 0.01 1.02 -0.59 -0.92 0.00 0.00 175.35 175.13 1hfu s PHE 97 N 0.68 0.01 0.01 3.18 -0.12 -0.92 -4.86 117.98 115.97 1hfu s PHE 97 Ca -0.13 -0.37 -0.02 0.00 -0.05 0.00 0.00 56.93 56.35 1hfu s PHE 97 Cb -0.15 0.68 -0.01 0.00 -0.63 0.00 0.00 43.02 42.91 1hfu s PHE 97 CO 0.03 -0.88 0.02 -0.08 -0.05 0.00 0.00 175.22 174.26 1hfu s THR 98 N -2.52 0.10 0.33 -4.49 -1.32 -1.26 0.04 115.64 106.51 1hfu s THR 98 Ca 0.18 -0.82 0.31 0.00 -1.21 0.00 0.00 61.69 60.16 1hfu s THR 98 Cb -0.02 -0.31 0.34 0.00 -1.51 0.00 0.00 72.50 71.00 1hfu s THR 98 CO 0.04 -0.45 2.06 -0.65 -2.21 0.00 0.00 174.62 173.41 1hfu h PRO 99 N 4.57 0.00 -6.00 7.08 0.11 -1.72 -3.45 132.00 132.61 1hfu h PRO 99 Ca -0.31 0.00 -0.41 0.00 0.11 0.00 0.00 66.00 65.39 1hfu h PRO 99 Cb 1.20 0.00 0.08 0.00 0.11 0.00 0.00 31.00 32.39 1hfu h PRO 99 CO 0.41 0.08 -0.76 0.00 -0.21 0.00 0.00 178.00 177.52 1hfu n ALA 100 N -2.19 -1.67 -0.23 -0.75 0.00 -1.06 -1.83 120.51 112.77 1hfu n ALA 100 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1hfu n ALA 100 Cb 0.26 -3.51 0.00 0.00 0.00 0.00 0.00 19.45 16.20 1hfu n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hfu n GLY 101 N -1.61 0.92 3.42 0.00 0.00 0.09 -5.01 105.19 103.00 1hfu n GLY 101 Ca -0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 1hfu n GLY 101 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1hfu s HIS 102 N -2.64 2.87 0.38 1.61 5.65 -0.76 -4.95 115.29 117.44 1hfu s HIS 102 Ca 0.00 -0.73 -0.04 0.00 0.25 0.00 0.00 55.06 54.54 1hfu s HIS 102 Cb 0.00 -4.08 -0.04 0.00 -1.18 0.00 0.00 32.58 27.27 1hfu s HIS 102 CO 0.00 -1.41 0.65 0.00 -0.65 0.00 0.00 174.74 173.33 1hfu s ALA 103 N 3.27 3.54 0.00 1.58 0.00 -1.26 -4.79 121.76 124.09 1hfu s ALA 103 Ca 0.17 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.53 1hfu s ALA 103 Cb -0.20 -2.38 0.00 0.00 0.00 0.00 0.00 23.12 20.53 1hfu s ALA 103 CO 0.09 -0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.21 1hfu n GLY 104 N -1.63 -1.64 3.46 0.00 0.00 0.54 -4.74 105.19 101.18 1hfu n GLY 104 Ca -0.01 -1.40 -0.37 0.00 0.00 0.00 0.00 46.02 44.24 1hfu n GLY 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hfu s THR 105 N -2.31 4.42 0.02 2.61 2.01 -1.26 -1.00 115.64 120.12 1hfu s THR 105 Ca 0.00 -0.16 0.00 0.00 0.31 0.00 0.00 61.69 61.84 1hfu s THR 105 Cb 0.00 -3.08 -0.00 0.00 0.01 0.00 0.00 72.50 69.43 1hfu s THR 105 CO 0.00 0.31 0.01 0.49 -0.69 0.00 0.00 174.62 174.74 1hfu n PHE 106 N 4.94 0.01 -3.47 4.92 3.72 0.10 -3.74 117.46 123.94 1hfu n PHE 106 Ca -0.16 -0.10 -0.14 0.00 -0.05 0.00 0.00 57.45 57.01 1hfu n PHE 106 Cb 0.51 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.02 1hfu n PHE 106 CO 0.00 0.00 0.00 1.67 -0.05 0.00 0.00 176.76 178.38 1hfu s TRP 107 N -1.56 -0.55 0.21 1.38 1.48 -1.23 -1.73 118.94 116.94 1hfu s TRP 107 Ca 0.01 0.56 0.09 0.00 -1.06 0.00 0.00 56.10 55.69 1hfu s TRP 107 Cb 0.00 0.49 -0.04 0.00 -1.16 0.00 0.00 33.47 32.76 1hfu s TRP 107 CO 0.01 -0.76 -0.07 1.52 -4.06 0.00 0.00 176.95 173.58 1hfu s TYR 108 N -2.91 2.64 -0.08 1.66 1.13 -0.43 -0.61 117.35 118.74 1hfu s TYR 108 Ca -0.03 -0.22 -0.30 0.00 -1.41 0.00 0.00 57.07 55.11 1hfu s TYR 108 Cb -0.01 -1.25 0.11 0.00 -1.10 0.00 0.00 41.96 39.72 1hfu s TYR 108 CO -0.05 0.55 0.93 -3.38 -2.51 0.00 0.00 175.55 171.08 1hfu s HIS 109 N -1.91 -0.38 0.52 -3.49 -3.43 -0.77 -1.51 115.29 104.32 1hfu s HIS 109 Ca 0.27 0.48 -0.22 0.00 -0.80 0.00 0.00 55.06 54.79 1hfu s HIS 109 Cb -0.08 0.49 -0.06 0.00 -1.43 0.00 0.00 32.58 31.50 1hfu s HIS 109 CO 0.17 -0.45 1.29 0.45 -2.00 0.00 0.00 174.74 174.20 1hfu s SER 110 N -1.73 5.56 -0.25 7.38 0.15 -0.26 -0.77 113.70 123.79 1hfu s SER 110 Ca 0.01 2.61 0.12 0.00 0.70 0.00 0.00 55.95 59.39 1hfu s SER 110 Cb -0.01 -2.62 0.46 0.00 -1.71 0.00 0.00 66.02 62.14 1hfu s SER 110 CO -0.02 -1.36 1.18 1.57 1.20 0.00 0.00 173.24 175.80 1hfu n HIS 111 N -0.86 1.84 -4.02 3.44 -0.00 0.73 -4.35 115.22 112.00 1hfu n HIS 111 Ca 0.09 -1.99 -0.31 0.00 0.46 0.00 0.00 57.72 55.97 1hfu n HIS 111 Cb 0.46 -0.29 -0.15 0.00 -0.12 0.00 0.00 29.99 29.89 1hfu n HIS 111 CO 0.00 0.00 0.00 0.12 0.46 0.00 0.00 176.34 176.92 1hfu s PHE 112 N -3.38 2.94 0.00 1.57 5.36 -1.26 -2.78 117.98 120.43 1hfu s PHE 112 Ca 0.43 -2.12 0.00 0.00 -0.96 0.00 0.00 56.93 54.28 1hfu s PHE 112 Cb 0.38 -1.81 0.00 0.00 -0.34 0.00 0.00 43.02 41.25 1hfu s PHE 112 CO -0.01 -0.84 0.00 0.41 -1.46 0.00 0.00 175.22 173.32 1hfu n GLY 113 N 4.52 1.27 1.65 13.12 0.00 -1.26 -2.48 105.19 122.02 1hfu n GLY 113 Ca -0.13 -0.55 0.01 0.00 0.00 0.00 0.00 46.02 45.34 1hfu n GLY 113 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hfu n THR 114 N 0.00 2.25 -0.13 2.61 -2.24 -1.26 -4.58 114.28 110.93 1hfu n THR 114 Ca 0.00 -1.16 0.13 0.00 -2.27 0.00 0.00 64.05 60.75 1hfu n THR 114 Cb 0.00 -0.39 0.48 0.00 -2.10 0.00 0.00 70.33 68.33 1hfu n THR 114 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1hfu h GLN 115 N 2.61 0.44 0.00 -0.78 4.15 -1.83 -2.08 115.11 117.62 1hfu h GLN 115 Ca 0.10 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.49 1hfu h GLN 115 Cb 1.81 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 29.40 1hfu h GLN 115 CO 0.48 0.29 0.00 0.10 -1.93 0.00 0.00 178.83 177.77 1hfu h TYR 116 N 0.46 0.00 0.00 3.99 -0.00 -1.79 -1.32 116.97 118.31 1hfu h TYR 116 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.05 1hfu h TYR 116 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.36 1hfu h TYR 116 CO -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.16 1hfu n ASP 118 N -3.00 1.22 0.00 0.00 8.00 -0.50 -4.74 116.55 117.53 1hfu n ASP 118 Ca -0.00 -1.80 0.00 0.00 0.71 0.00 0.00 54.79 53.69 1hfu n ASP 118 Cb 0.22 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 1hfu n ASP 118 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hfu n GLY 119 N 0.96 0.74 3.50 0.44 0.00 -0.35 -3.48 105.19 106.99 1hfu n GLY 119 Ca 0.12 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 1hfu n GLY 119 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1hfu s LEU 120 N 0.00 4.68 -0.13 0.99 2.96 -1.18 -4.43 118.68 121.57 1hfu s LEU 120 Ca 0.00 -2.68 -0.31 0.00 -0.22 0.00 0.00 54.13 50.92 1hfu s LEU 120 Cb 0.00 -2.45 0.13 0.00 0.50 0.00 0.00 46.19 44.37 1hfu s LEU 120 CO 0.00 -0.92 1.06 0.00 -1.32 0.00 0.00 176.35 175.17 1hfu s ARG 121 N 2.52 0.53 0.07 1.98 1.70 -1.26 -1.10 118.95 123.38 1hfu s ARG 121 Ca 0.45 -0.09 -0.27 0.00 -0.47 0.00 0.00 55.73 55.35 1hfu s ARG 121 Cb -0.01 0.25 0.09 0.00 -0.57 0.00 0.00 34.95 34.71 1hfu s ARG 121 CO 0.00 -0.21 1.16 0.20 -1.08 0.00 0.00 175.30 175.38 1hfu s GLY 122 N -1.86 -0.20 0.50 3.88 0.00 -0.57 -4.08 107.32 105.00 1hfu s GLY 122 Ca 0.05 0.20 -0.19 0.00 0.00 0.00 0.00 44.72 44.78 1hfu s GLY 122 CO -0.04 1.70 1.02 2.56 0.00 0.00 0.00 173.10 178.34 1hfu s PRO 123 N -2.47 3.79 -0.16 2.90 0.04 -1.26 -1.31 135.00 136.53 1hfu s PRO 123 Ca 0.18 1.22 -0.05 0.00 0.04 0.00 0.00 61.00 62.40 1hfu s PRO 123 Cb 0.01 -2.10 0.06 0.00 0.04 0.00 0.00 34.50 32.50 1hfu s PRO 123 CO 0.00 -0.42 0.09 1.41 0.04 0.00 0.00 177.00 178.12 1hfu s MET 124 N -3.53 0.07 -0.12 4.56 1.75 -0.70 -1.19 119.30 120.13 1hfu s MET 124 Ca 0.64 -0.06 -0.00 0.00 -1.25 0.00 0.00 55.69 55.02 1hfu s MET 124 Cb -0.14 -1.77 -0.02 0.00 2.84 0.00 0.00 34.83 35.75 1hfu s MET 124 CO 0.24 -0.65 -0.12 0.08 -0.65 0.00 0.00 175.02 173.92 1hfu s VAL 125 N 2.13 3.16 -0.34 10.11 1.01 -0.52 0.02 120.40 135.96 1hfu s VAL 125 Ca 0.02 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 1hfu s VAL 125 Cb -0.16 -2.32 0.07 0.00 0.00 0.00 0.00 36.38 33.97 1hfu s VAL 125 CO -0.09 0.53 0.07 -0.63 0.00 0.00 0.00 175.10 174.98 1hfu s ILE 126 N 0.18 3.08 0.48 2.22 -1.09 -0.17 -2.14 121.20 123.77 1hfu s ILE 126 Ca -0.07 -1.62 -0.13 0.00 -2.23 0.00 0.00 60.65 56.59 1hfu s ILE 126 Cb -0.15 -2.90 -0.07 0.00 -1.58 0.00 0.00 42.46 37.76 1hfu s ILE 126 CO 0.05 -0.31 0.90 -0.31 -1.23 0.00 0.00 174.94 174.04 1hfu s TYR 127 N 1.21 3.48 -0.12 3.97 2.02 -0.44 -0.34 117.35 127.13 1hfu s TYR 127 Ca -0.00 1.27 -0.04 0.00 -0.37 0.00 0.00 57.07 57.93 1hfu s TYR 127 Cb -0.21 -2.64 -0.04 0.00 -0.40 0.00 0.00 41.96 38.68 1hfu s TYR 127 CO -0.02 -0.30 0.04 0.34 -1.57 0.00 0.00 175.55 174.04 1hfu s ASP 128 N -3.24 5.53 0.00 2.29 -1.08 -1.26 -2.10 116.67 116.81 1hfu s ASP 128 Ca 0.55 0.17 0.29 0.00 -0.52 0.00 0.00 52.55 53.04 1hfu s ASP 128 Cb -0.10 -1.74 1.22 0.00 -1.46 0.00 0.00 42.92 40.84 1hfu s ASP 128 CO 0.34 0.32 1.84 -0.90 0.52 0.00 0.00 175.17 177.29 1hfu n ASP 129 N 2.56 0.79 -2.81 -0.34 5.68 -1.26 -3.71 116.55 117.46 1hfu n ASP 129 Ca -0.18 -0.98 -0.01 0.00 -0.50 0.00 0.00 54.79 53.12 1hfu n ASP 129 Cb 0.53 -0.01 0.05 0.00 -1.14 0.00 0.00 41.12 40.56 1hfu n ASP 129 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1hfu n ASN 130 N -0.57 1.53 -4.69 -1.12 5.15 -1.26 -5.10 115.26 109.19 1hfu n ASN 130 Ca 0.17 -2.12 -0.43 0.00 -0.60 0.00 0.00 54.58 51.61 1hfu n ASN 130 Cb 0.28 -0.48 -0.03 0.00 -0.53 0.00 0.00 39.78 39.02 1hfu n ASN 130 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1hfu n ASP 131 N -0.53 3.94 0.20 1.20 -0.08 -1.24 -4.87 116.55 115.16 1hfu n ASP 131 Ca 0.07 1.00 0.14 0.00 -1.51 0.00 0.00 54.79 54.49 1hfu n ASP 131 Cb 0.80 -1.53 0.74 0.00 2.34 0.00 0.00 41.12 43.47 1hfu n ASP 131 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1hfu h PRO 132 N 8.21 0.00 -0.60 -0.67 0.11 -1.99 -2.17 132.00 134.89 1hfu h PRO 132 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1hfu h PRO 132 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1hfu h PRO 132 CO 0.94 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.45 1hfu n HIS 133 N -4.21 1.22 -0.14 0.65 8.25 -1.26 -4.68 115.22 115.04 1hfu n HIS 133 Ca 0.01 -0.60 0.17 0.00 -0.26 0.00 0.00 57.72 57.05 1hfu n HIS 133 Cb 0.26 -0.17 0.55 0.00 1.12 0.00 0.00 29.99 31.75 1hfu n HIS 133 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1hfu h ALA 134 N 3.70 2.23 0.00 -1.41 0.00 -1.76 -1.34 119.26 120.68 1hfu h ALA 134 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1hfu h ALA 134 Cb 1.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1hfu h ALA 134 CO 0.16 -0.43 0.00 0.00 0.00 0.00 0.00 179.25 178.98 1hfu h ALA 135 N 1.66 1.00 0.00 0.00 0.00 -1.85 -3.13 119.26 116.94 1hfu h ALA 135 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1hfu h ALA 135 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1hfu h ALA 135 CO -0.09 0.00 -0.01 1.28 0.00 0.00 0.00 179.25 180.42 1hfu n LEU 136 N -2.64 0.18 -3.80 0.00 4.32 -0.50 -4.91 117.00 109.66 1hfu n LEU 136 Ca 0.01 0.50 -0.09 0.00 -0.02 0.00 0.00 56.01 56.41 1hfu n LEU 136 Cb 0.25 -0.46 -0.06 0.00 -1.62 0.00 0.00 43.42 41.53 1hfu n LEU 136 CO 0.23 -0.04 -0.03 -0.72 -1.22 0.00 0.00 177.39 175.62 1hfu s TYR 137 N -3.02 0.06 -0.21 -1.77 -0.85 -1.18 -4.81 117.35 105.56 1hfu s TYR 137 Ca 0.13 -0.46 0.10 0.00 -0.52 0.00 0.00 57.07 56.32 1hfu s TYR 137 Cb 0.18 0.03 -0.22 0.00 0.38 0.00 0.00 41.96 42.32 1hfu s TYR 137 CO 0.55 -0.59 0.02 -0.25 -1.52 0.00 0.00 175.55 173.76 1hfu n ASP 138 N -0.11 0.98 -4.14 -0.18 8.00 0.48 -4.97 116.55 116.61 1hfu n ASP 138 Ca -0.15 -0.01 -0.20 0.00 0.71 0.00 0.00 54.79 55.14 1hfu n ASP 138 Cb 0.63 0.25 -0.13 0.00 -0.02 0.00 0.00 41.12 41.84 1hfu n ASP 138 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1hfu s GLU 139 N -2.51 0.95 -0.29 -1.24 0.41 -0.84 -5.02 118.70 110.15 1hfu s GLU 139 Ca -0.20 -0.74 0.02 0.00 -0.41 0.00 0.00 54.97 53.63 1hfu s GLU 139 Cb 0.07 -0.96 0.20 0.00 -1.78 0.00 0.00 34.13 31.66 1hfu s GLU 139 CO 0.74 0.24 0.68 0.34 -0.49 0.00 0.00 175.26 176.76 1hfu s ASP 140 N -1.08 -1.37 0.00 -0.19 2.15 -1.26 -0.52 116.67 114.39 1hfu s ASP 140 Ca 0.02 0.26 0.00 0.00 0.43 0.00 0.00 52.55 53.26 1hfu s ASP 140 Cb -0.08 1.91 0.00 0.00 -0.30 0.00 0.00 42.92 44.45 1hfu s ASP 140 CO 0.01 -0.25 0.00 -0.90 -0.17 0.00 0.00 175.17 173.86 1hfu n ASP 141 N 5.37 0.00 0.15 -0.34 5.68 -1.26 -5.00 116.55 121.15 1hfu n ASP 141 Ca 0.05 -0.10 0.12 0.00 -0.50 0.00 0.00 54.79 54.36 1hfu n ASP 141 Cb 0.54 0.00 0.53 0.00 -1.14 0.00 0.00 41.12 41.05 1hfu n ASP 141 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1hfu h GLU 142 N 0.00 0.00 -0.57 0.11 9.09 -2.00 -1.93 114.58 119.28 1hfu h GLU 142 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1hfu h GLU 142 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1hfu h GLU 142 CO 0.00 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.15 1hfu n ASN 143 N -2.30 3.43 -0.42 3.06 3.02 -1.26 -4.03 115.26 116.76 1hfu n ASN 143 Ca 0.01 -1.98 0.08 0.00 -0.03 0.00 0.00 54.58 52.66 1hfu n ASN 143 Cb 0.19 -0.37 0.18 0.00 -0.61 0.00 0.00 39.78 39.17 1hfu n ASN 143 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1hfu n THR 144 N 1.40 2.08 -4.07 3.41 -2.24 -0.73 -4.68 114.28 109.45 1hfu n THR 144 Ca 0.21 -2.36 -0.36 0.00 -2.27 0.00 0.00 64.05 59.28 1hfu n THR 144 Cb 0.56 -0.25 -0.08 0.00 -2.10 0.00 0.00 70.33 68.46 1hfu n THR 144 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1hfu s ILE 145 N -2.95 4.93 -0.24 2.28 1.01 -1.25 -0.30 121.20 124.67 1hfu s ILE 145 Ca 0.36 -0.00 -0.00 0.00 0.00 0.00 0.00 60.65 61.00 1hfu s ILE 145 Cb 0.32 -3.15 0.07 0.00 0.01 0.00 0.00 42.46 39.71 1hfu s ILE 145 CO 0.03 0.57 0.01 -0.63 0.00 0.00 0.00 174.94 174.91 1hfu s ILE 146 N -0.58 1.14 0.16 2.92 1.01 0.34 -4.89 121.20 121.30 1hfu s ILE 146 Ca 0.11 -1.11 -0.03 0.00 0.00 0.00 0.00 60.65 59.62 1hfu s ILE 146 Cb -0.12 -1.59 -0.05 0.00 0.01 0.00 0.00 42.46 40.72 1hfu s ILE 146 CO 0.02 -0.27 0.37 0.42 0.00 0.00 0.00 174.94 175.49 1hfu s THR 147 N 1.55 5.20 -0.10 2.92 -4.23 -1.26 -1.16 115.64 118.56 1hfu s THR 147 Ca -0.01 -0.17 0.02 0.00 -1.18 0.00 0.00 61.69 60.36 1hfu s THR 147 Cb -0.18 -3.67 0.01 0.00 1.34 0.00 0.00 72.50 70.00 1hfu s THR 147 CO -0.10 -0.05 -0.16 -0.76 -0.54 0.00 0.00 174.62 173.01 1hfu s LEU 148 N -2.94 1.78 0.00 4.79 1.43 -0.03 -1.23 118.68 122.49 1hfu s LEU 148 Ca 0.39 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 1hfu s LEU 148 Cb -0.12 -1.08 -0.00 0.00 0.03 0.00 0.00 46.19 45.01 1hfu s LEU 148 CO 0.27 0.05 -0.02 0.00 0.23 0.00 0.00 176.35 176.88 1hfu s ALA 149 N 0.77 0.11 -0.01 4.21 0.00 -0.03 -0.34 121.76 126.47 1hfu s ALA 149 Ca -0.11 -0.16 -0.25 0.00 0.00 0.00 0.00 51.96 51.44 1hfu s ALA 149 Cb -0.16 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 1hfu s ALA 149 CO 0.02 -0.01 0.76 0.16 0.00 0.00 0.00 175.76 176.69 1hfu s ASP 150 N -0.32 7.13 -0.06 0.00 -4.77 -1.26 -0.36 116.67 117.03 1hfu s ASP 150 Ca -0.03 1.36 0.03 0.00 -3.30 0.00 0.00 52.55 50.62 1hfu s ASP 150 Cb -0.02 -2.46 0.00 0.00 -1.09 0.00 0.00 42.92 39.36 1hfu s ASP 150 CO -0.00 -0.08 -0.16 0.86 0.70 0.00 0.00 175.17 176.49 1hfu s TRP 151 N 0.46 1.73 0.06 2.11 -0.11 -0.34 -4.87 118.94 117.98 1hfu s TRP 151 Ca 0.40 -0.59 0.06 0.00 1.22 0.00 0.00 56.10 57.19 1hfu s TRP 151 Cb -0.19 -1.20 -0.04 0.00 -1.50 0.00 0.00 33.47 30.54 1hfu s TRP 151 CO 0.21 -0.25 -0.12 0.71 -4.62 0.00 0.00 176.95 172.88 1hfu s TYR 152 N 0.34 2.71 -0.96 5.86 1.51 -1.26 -0.59 117.35 124.95 1hfu s TYR 152 Ca -0.11 -0.17 0.28 0.00 -1.01 0.00 0.00 57.07 56.07 1hfu s TYR 152 Cb -0.14 -1.48 1.00 0.00 -0.11 0.00 0.00 41.96 41.22 1hfu s TYR 152 CO 0.04 0.36 1.77 0.72 -1.11 0.00 0.00 175.55 177.33 1hfu n HIS 153 N 1.19 0.10 -4.94 2.71 8.25 -1.26 -4.76 115.22 116.52 1hfu n HIS 153 Ca -0.15 0.03 -0.33 0.00 -0.26 0.00 0.00 57.72 57.02 1hfu n HIS 153 Cb 0.52 -0.49 -0.14 0.00 1.12 0.00 0.00 29.99 31.01 1hfu n HIS 153 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1hfu s ILE 154 N -3.02 2.86 0.36 1.59 -1.09 -1.26 -4.89 121.20 115.76 1hfu s ILE 154 Ca 0.13 -0.78 -0.25 0.00 -2.23 0.00 0.00 60.65 57.52 1hfu s ILE 154 Cb 0.18 -2.13 -0.13 0.00 -1.58 0.00 0.00 42.46 38.80 1hfu s ILE 154 CO 0.58 0.57 0.86 -2.65 -1.23 0.00 0.00 174.94 173.08 1hfu n PRO 155 N 2.70 1.07 -0.31 2.79 -0.02 -1.26 -4.77 135.00 135.20 1hfu n PRO 155 Ca -0.17 0.38 0.11 0.00 -2.02 0.00 0.00 63.50 61.80 1hfu n PRO 155 Cb 0.52 -1.76 0.28 0.00 -0.02 0.00 0.00 33.50 32.52 1hfu n PRO 155 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hfu h ALA 156 N 1.48 1.43 0.00 3.55 0.00 -1.90 0.43 119.26 124.25 1hfu h ALA 156 Ca -0.40 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1hfu h ALA 156 Cb 1.36 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1hfu h ALA 156 CO 0.57 -0.21 -0.10 -1.35 0.00 0.00 0.00 179.25 178.15 1hfu h PRO 157 N 0.53 0.00 -0.64 0.00 0.11 -1.90 -2.31 132.00 127.80 1hfu h PRO 157 Ca 0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.64 1hfu h PRO 157 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1hfu h PRO 157 CO -0.45 0.10 0.00 0.43 -0.21 0.00 0.00 178.00 177.87 1hfu n SER 158 N -3.95 3.48 -4.75 -2.05 7.64 0.13 -4.96 113.62 109.16 1hfu n SER 158 Ca -0.02 -2.00 -0.41 0.00 1.01 0.00 0.00 58.87 57.45 1hfu n SER 158 Cb 0.19 -0.42 -0.02 0.00 -1.01 0.00 0.00 64.21 62.95 1hfu n SER 158 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1hfu s ILE 159 N -1.15 2.60 -0.09 0.44 1.01 -0.87 -4.91 121.20 118.23 1hfu s ILE 159 Ca 0.43 0.51 0.21 0.00 0.00 0.00 0.00 60.65 61.81 1hfu s ILE 159 Cb 0.23 -3.33 -0.29 0.00 0.01 0.00 0.00 42.46 39.08 1hfu s ILE 159 CO 0.30 0.09 0.42 0.00 0.00 0.00 0.00 174.94 175.74 1hfu n GLN 160 N 2.19 0.66 -0.16 2.79 6.02 -1.26 -5.11 117.38 122.51 1hfu n GLN 160 Ca 0.06 -0.12 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 1hfu n GLN 160 Cb 0.40 -1.55 0.00 0.00 1.02 0.00 0.00 30.24 30.12 1hfu n GLN 160 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1hfu n GLN 164 N -2.43 0.00 -1.63 -1.09 3.00 -1.26 -5.29 117.38 108.68 1hfu n GLN 164 Ca -0.11 0.05 -0.48 0.00 -0.01 0.00 0.00 57.00 56.46 1hfu n GLN 164 Cb 0.73 -0.10 -0.04 0.00 0.00 0.00 0.00 30.24 30.82 1hfu n GLN 164 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 1hfu n PRO 165 N 1.10 1.67 0.09 -1.09 -0.02 -1.26 -4.49 135.00 131.00 1hfu n PRO 165 Ca 0.00 0.60 -0.14 0.00 -2.02 0.00 0.00 63.50 61.94 1hfu n PRO 165 Cb 0.00 -2.24 -0.14 0.00 -0.02 0.00 0.00 33.50 31.10 1hfu n PRO 165 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1hfu h ASP 166 N 4.50 0.32 -5.15 2.55 3.32 -1.21 -0.75 116.42 120.00 1hfu h ASP 166 Ca -0.45 -0.35 -0.08 0.00 0.02 0.00 0.00 57.03 56.17 1hfu h ASP 166 Cb 1.30 -0.11 -0.14 0.00 0.22 0.00 0.00 39.33 40.61 1hfu h ASP 166 CO 0.78 1.27 -0.32 0.00 -1.72 0.00 0.00 179.24 179.25 1hfu s ALA 167 N -2.67 -0.32 -0.23 3.45 0.00 -0.81 -4.23 121.76 116.95 1hfu s ALA 167 Ca -0.03 -0.54 -0.11 0.00 0.00 0.00 0.00 51.96 51.28 1hfu s ALA 167 Cb 0.08 0.54 -0.05 0.00 0.00 0.00 0.00 23.12 23.69 1hfu s ALA 167 CO 0.87 -0.54 0.17 0.99 0.00 0.00 0.00 175.76 177.26 1hfu s THR 168 N -3.86 5.36 -0.20 0.00 2.01 -1.26 -1.20 115.64 116.49 1hfu s THR 168 Ca 0.05 0.23 -0.08 0.00 0.31 0.00 0.00 61.69 62.20 1hfu s THR 168 Cb 0.04 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 69.00 1hfu s THR 168 CO -0.11 0.36 0.09 -0.76 -0.69 0.00 0.00 174.62 173.51 1hfu s LEU 169 N 0.91 3.91 -0.23 4.42 1.43 0.51 -4.22 118.68 125.41 1hfu s LEU 169 Ca 0.09 0.10 -0.03 0.00 -1.03 0.00 0.00 54.13 53.26 1hfu s LEU 169 Cb -0.13 -2.00 0.01 0.00 0.03 0.00 0.00 46.19 44.09 1hfu s LEU 169 CO 0.03 0.15 -0.05 -0.63 0.23 0.00 0.00 176.35 176.08 1hfu s ILE 170 N 0.51 3.15 -1.43 -0.59 1.01 0.15 -0.85 121.20 123.15 1hfu s ILE 170 Ca 0.05 -0.72 -0.06 0.00 0.00 0.00 0.00 60.65 59.92 1hfu s ILE 170 Cb -0.12 -2.50 0.04 0.00 0.01 0.00 0.00 42.46 39.89 1hfu s ILE 170 CO 0.00 0.33 0.78 0.59 0.00 0.00 0.00 174.94 176.64 1hfu n ASN 171 N 4.75 -2.57 0.00 3.58 3.02 -0.36 -2.14 115.26 121.54 1hfu n ASN 171 Ca -0.18 -0.84 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 1hfu n ASN 171 Cb 0.49 -3.79 0.00 0.00 -0.61 0.00 0.00 39.78 35.88 1hfu n ASN 171 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hfu n GLY 172 N -1.67 0.45 3.10 7.41 0.00 -1.26 -4.92 105.19 108.30 1hfu n GLY 172 Ca -0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.69 1hfu n GLY 172 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hfu s LYS 173 N -0.55 0.76 -0.07 1.61 1.02 -0.91 -4.75 119.74 116.85 1hfu s LYS 173 Ca 0.00 -0.70 -0.24 0.00 0.02 0.00 0.00 55.97 55.05 1hfu s LYS 173 Cb 0.00 -0.71 0.08 0.00 -0.52 0.00 0.00 37.83 36.68 1hfu s LYS 173 CO 0.00 0.17 1.07 0.41 -0.92 0.00 0.00 175.35 176.08 1hfu n GLY 174 N 1.88 0.17 3.33 -3.33 0.00 -1.13 -0.68 105.19 105.44 1hfu n GLY 174 Ca -0.19 -0.97 -0.19 0.00 0.00 0.00 0.00 46.02 44.67 1hfu n GLY 174 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hfu s ARG 175 N -2.00 1.27 0.19 1.61 0.52 -1.26 -3.99 118.95 115.29 1hfu s ARG 175 Ca 0.25 -1.49 0.07 0.00 -0.52 0.00 0.00 55.73 54.05 1hfu s ARG 175 Cb -0.00 -1.15 -0.04 0.00 0.52 0.00 0.00 34.95 34.28 1hfu s ARG 175 CO -0.02 0.21 0.06 1.52 0.02 0.00 0.00 175.30 177.08 1hfu s TYR 176 N -2.60 2.93 0.03 -0.53 1.13 -1.26 -4.35 117.35 112.70 1hfu s TYR 176 Ca 0.19 -0.11 -0.30 0.00 -1.41 0.00 0.00 57.07 55.43 1hfu s TYR 176 Cb -0.03 -1.39 -0.08 0.00 -1.10 0.00 0.00 41.96 39.37 1hfu s TYR 176 CO 0.06 0.53 1.70 0.08 -2.51 0.00 0.00 175.55 175.41 1hfu s VAL 177 N -1.85 3.19 0.00 -3.49 1.01 -1.26 -0.80 120.40 117.20 1hfu s VAL 177 Ca 0.29 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.75 1hfu s VAL 177 Cb -0.09 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1hfu s VAL 177 CO 0.21 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.90 1hfu n GLY 178 N 4.11 0.86 3.95 4.51 0.00 -1.26 -5.00 105.19 112.36 1hfu n GLY 178 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 1hfu n GLY 178 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hfu s GLY 179 N -1.57 1.76 0.88 -0.02 0.00 0.02 -5.07 107.32 103.32 1hfu s GLY 179 Ca 0.00 -1.30 -0.11 0.00 0.00 0.00 0.00 44.72 43.31 1hfu s GLY 179 CO 0.00 -0.64 1.10 2.56 0.00 0.00 0.00 173.10 176.12 1hfu s PRO 180 N -5.59 1.32 -1.47 2.90 0.04 -1.26 -4.89 135.00 126.06 1hfu s PRO 180 Ca 0.70 1.11 -0.11 0.00 0.04 0.00 0.00 61.00 62.74 1hfu s PRO 180 Cb -0.05 -1.79 0.03 0.00 0.04 0.00 0.00 34.50 32.72 1hfu s PRO 180 CO 0.49 -2.28 2.42 0.00 0.04 0.00 0.00 177.00 177.68 1hfu n ALA 181 N -3.95 6.31 -1.51 8.56 0.00 -1.26 -4.76 120.51 123.90 1hfu n ALA 181 Ca 0.08 -3.87 -0.37 0.00 0.00 0.00 0.00 53.44 49.29 1hfu n ALA 181 Cb 0.54 -3.30 0.07 0.00 0.00 0.00 0.00 19.45 16.75 1hfu n ALA 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hfu n ALA 182 N 4.41 0.02 -1.77 0.00 0.00 -1.26 -4.89 120.51 117.02 1hfu n ALA 182 Ca 0.60 -0.09 -0.42 0.00 0.00 0.00 0.00 53.44 53.53 1hfu n ALA 182 Cb 0.32 -2.12 -0.02 0.00 0.00 0.00 0.00 19.45 17.63 1hfu n ALA 182 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1hfu s GLU 183 N -3.05 4.13 0.17 0.00 2.12 -1.26 -4.88 118.70 115.93 1hfu s GLU 183 Ca 0.75 2.57 -0.03 0.00 0.36 0.00 0.00 54.97 58.62 1hfu s GLU 183 Cb -0.38 -3.04 -0.05 0.00 0.26 0.00 0.00 34.13 30.92 1hfu s GLU 183 CO 0.48 -0.64 0.39 -0.51 -0.54 0.00 0.00 175.26 174.43 1hfu s LEU 184 N -0.17 4.24 0.54 2.70 1.43 -1.26 -4.22 118.68 121.95 1hfu s LEU 184 Ca 0.65 0.52 -0.19 0.00 -1.03 0.00 0.00 54.13 54.07 1hfu s LEU 184 Cb -0.48 -3.26 -0.06 0.00 0.03 0.00 0.00 46.19 42.42 1hfu s LEU 184 CO 0.45 0.00 1.11 -0.44 0.23 0.00 0.00 176.35 177.70 1hfu s SER 185 N -2.77 5.79 -0.09 2.29 0.01 -1.26 -4.88 113.70 112.80 1hfu s SER 185 Ca 0.40 2.13 0.03 0.00 1.31 0.00 0.00 55.95 59.82 1hfu s SER 185 Cb -0.12 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.54 1hfu s SER 185 CO 0.27 -1.17 -0.20 -0.63 0.41 0.00 0.00 173.24 171.92 1hfu s ILE 186 N -1.83 1.72 -0.26 1.44 1.01 -1.26 -0.92 121.20 121.10 1hfu s ILE 186 Ca 0.72 -0.82 -0.06 0.00 0.00 0.00 0.00 60.65 60.49 1hfu s ILE 186 Cb -0.23 -1.51 -0.00 0.00 0.01 0.00 0.00 42.46 40.73 1hfu s ILE 186 CO 0.26 0.49 0.03 -0.69 0.00 0.00 0.00 174.94 175.03 1hfu s VAL 187 N 0.45 3.78 -0.07 2.92 1.01 0.41 -4.97 120.40 123.93 1hfu s VAL 187 Ca -0.17 -0.54 -0.17 0.00 0.00 0.00 0.00 61.98 61.10 1hfu s VAL 187 Cb -0.17 -2.83 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 1hfu s VAL 187 CO 0.07 0.25 0.46 0.20 0.00 0.00 0.00 175.10 176.09 1hfu s ASN 188 N 1.51 6.74 0.07 3.32 0.01 -1.26 -0.74 114.94 124.58 1hfu s ASN 188 Ca 0.04 0.88 0.00 0.00 -0.71 0.00 0.00 52.86 53.07 1hfu s ASN 188 Cb -0.16 -2.28 -0.04 0.00 0.41 0.00 0.00 41.25 39.18 1hfu s ASN 188 CO 0.00 0.11 -0.04 0.68 -1.51 0.00 0.00 177.10 176.34 1hfu s VAL 189 N 0.04 0.40 -0.13 1.60 -7.23 -0.67 -4.95 120.40 109.46 1hfu s VAL 189 Ca 0.25 -1.86 0.02 0.00 -1.81 0.00 0.00 61.98 58.58 1hfu s VAL 189 Cb -0.16 -1.59 -0.00 0.00 0.56 0.00 0.00 36.38 35.19 1hfu s VAL 189 CO 0.12 -0.94 -0.19 -1.61 -0.31 0.00 0.00 175.10 172.16 1hfu s GLU 190 N -3.89 3.17 0.22 4.82 2.02 -1.26 -0.67 118.70 123.10 1hfu s GLU 190 Ca 0.09 -0.80 -0.31 0.00 0.02 0.00 0.00 54.97 53.97 1hfu s GLU 190 Cb 0.07 -2.48 -0.15 0.00 0.10 0.00 0.00 34.13 31.67 1hfu s GLU 190 CO -0.08 0.12 1.17 0.94 0.02 0.00 0.00 175.26 177.44 1hfu n GLN 191 N 3.72 1.39 0.00 1.61 7.27 -1.26 -2.07 117.38 128.04 1hfu n GLN 191 Ca -0.19 0.49 0.00 0.00 0.07 0.00 0.00 57.00 57.37 1hfu n GLN 191 Cb 0.52 -1.99 0.00 0.00 2.41 0.00 0.00 30.24 31.19 1hfu n GLN 191 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1hfu n GLY 192 N 1.83 1.41 3.96 1.69 0.00 -0.21 -5.05 105.19 108.83 1hfu n GLY 192 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 1hfu n GLY 192 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hfu s LYS 193 N -0.58 3.15 -0.02 1.61 1.02 -0.88 -4.90 119.74 119.14 1hfu s LYS 193 Ca 0.00 -0.64 0.05 0.00 0.02 0.00 0.00 55.97 55.40 1hfu s LYS 193 Cb 0.00 -2.67 -0.01 0.00 -0.52 0.00 0.00 37.83 34.63 1hfu s LYS 193 CO 0.00 -0.08 -0.17 0.15 -0.92 0.00 0.00 175.35 174.33 1hfu s LYS 194 N -4.38 1.47 -0.02 1.68 1.02 -1.26 -1.81 119.74 116.43 1hfu s LYS 194 Ca 0.46 -0.59 0.05 0.00 0.02 0.00 0.00 55.97 55.90 1hfu s LYS 194 Cb -0.10 -1.37 -0.01 0.00 -0.52 0.00 0.00 37.83 35.83 1hfu s LYS 194 CO 0.35 0.32 -0.19 0.71 -0.92 0.00 0.00 175.35 175.63 1hfu s TYR 195 N -0.26 1.72 -0.83 3.18 1.51 -0.24 -0.38 117.35 122.05 1hfu s TYR 195 Ca 0.03 -0.38 -0.21 0.00 -1.01 0.00 0.00 57.07 55.51 1hfu s TYR 195 Cb -0.08 -1.12 0.10 0.00 -0.11 0.00 0.00 41.96 40.75 1hfu s TYR 195 CO 0.00 -0.07 1.10 0.50 -1.11 0.00 0.00 175.55 175.97 1hfu s ARG 196 N -0.31 3.40 0.00 -0.62 3.52 0.32 -0.59 118.95 124.67 1hfu s ARG 196 Ca 0.04 -1.30 -0.28 0.00 -0.13 0.00 0.00 55.73 54.06 1hfu s ARG 196 Cb -0.09 -4.68 -0.04 0.00 -1.56 0.00 0.00 34.95 28.59 1hfu s ARG 196 CO 0.00 -1.84 0.91 -1.64 -0.81 0.00 0.00 175.30 171.92 1hfu s MET 197 N 3.53 4.55 -0.37 5.12 -1.94 0.71 -4.73 119.30 126.17 1hfu s MET 197 Ca 0.30 1.30 -0.04 0.00 -1.71 0.00 0.00 55.69 55.54 1hfu s MET 197 Cb -0.09 -3.44 0.08 0.00 2.01 0.00 0.00 34.83 33.39 1hfu s MET 197 CO -0.01 0.02 0.15 1.03 -0.01 0.00 0.00 175.02 176.20 1hfu s ARG 198 N 0.78 2.32 -0.23 2.03 0.52 0.59 -0.64 118.95 124.31 1hfu s ARG 198 Ca 0.48 -1.52 -0.16 0.00 -0.52 0.00 0.00 55.73 54.01 1hfu s ARG 198 Cb -0.21 -3.50 -0.04 0.00 0.52 0.00 0.00 34.95 31.72 1hfu s ARG 198 CO 0.26 -0.88 0.43 -1.17 0.02 0.00 0.00 175.30 173.96 1hfu s LEU 199 N 1.26 4.10 -0.08 2.53 2.96 0.90 -0.50 118.68 129.85 1hfu s LEU 199 Ca 0.02 0.47 0.02 0.00 -0.22 0.00 0.00 54.13 54.42 1hfu s LEU 199 Cb -0.22 -2.54 0.02 0.00 0.50 0.00 0.00 46.19 43.95 1hfu s LEU 199 CO -0.01 -0.16 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.11 1hfu s ILE 200 N 1.74 1.17 -0.28 6.68 1.01 -0.31 -0.88 121.20 130.34 1hfu s ILE 200 Ca 0.19 -0.47 -0.22 0.00 0.00 0.00 0.00 60.65 60.15 1hfu s ILE 200 Cb -0.15 -1.09 -0.01 0.00 0.01 0.00 0.00 42.46 41.22 1hfu s ILE 200 CO 0.09 0.37 0.71 -0.55 0.00 0.00 0.00 174.94 175.56 1hfu s SER 201 N 0.93 6.63 -0.15 3.58 0.15 -0.59 -0.85 113.70 123.38 1hfu s SER 201 Ca -0.09 0.69 0.17 0.00 0.70 0.00 0.00 55.95 57.41 1hfu s SER 201 Cb -0.15 -2.37 0.75 0.00 -1.71 0.00 0.00 66.02 62.53 1hfu s SER 201 CO 0.00 -0.49 1.66 0.18 1.20 0.00 0.00 173.24 175.79 1hfu n LEU 202 N 5.95 5.03 -4.77 3.45 4.77 0.54 -2.47 117.00 129.51 1hfu n LEU 202 Ca 0.02 -2.55 -0.39 0.00 -0.03 0.00 0.00 56.01 53.06 1hfu n LEU 202 Cb 0.48 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1hfu n LEU 202 CO 0.47 0.74 0.99 -0.55 -1.33 0.00 0.00 177.39 177.70 1hfu s SER 203 N -0.84 6.18 0.12 -1.43 0.15 -1.25 -4.74 113.70 111.88 1hfu s SER 203 Ca 0.52 2.73 0.24 0.00 0.70 0.00 0.00 55.95 60.13 1hfu s SER 203 Cb 0.35 -2.64 0.28 0.00 -1.71 0.00 0.00 66.02 62.30 1hfu s SER 203 CO 0.21 -0.95 1.26 0.00 1.20 0.00 0.00 173.24 174.97 1hfu n ASP 205 N -2.15 0.00 -4.72 0.00 -0.08 -1.26 -1.00 116.55 107.34 1hfu n ASP 205 Ca 0.03 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 52.96 1hfu n ASP 205 Cb 0.45 0.39 0.09 0.00 2.34 0.00 0.00 41.12 44.39 1hfu n ASP 205 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 1hfu s PRO 206 N -0.97 2.16 0.26 -0.67 0.04 -1.26 -4.67 135.00 129.89 1hfu s PRO 206 Ca 0.00 1.83 0.07 0.00 0.04 0.00 0.00 61.00 62.94 1hfu s PRO 206 Cb 0.00 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.68 1hfu s PRO 206 CO 0.00 -1.84 0.21 0.54 0.04 0.00 0.00 177.00 175.95 1hfu s ASN 207 N -1.89 5.54 0.08 6.66 2.20 -1.26 -4.40 114.94 121.87 1hfu s ASN 207 Ca 0.76 -0.26 0.08 0.00 -0.94 0.00 0.00 52.86 52.50 1hfu s ASN 207 Cb -0.31 -1.39 -0.03 0.00 -2.00 0.00 0.00 41.25 37.52 1hfu s ASN 207 CO 0.45 -0.06 -0.20 0.26 -2.94 0.00 0.00 177.10 174.60 1hfu s TRP 208 N -2.14 1.75 -0.36 1.54 0.51 -0.71 -1.60 118.94 117.93 1hfu s TRP 208 Ca 0.33 -0.40 -0.18 0.00 -2.12 0.00 0.00 56.10 53.73 1hfu s TRP 208 Cb -0.08 -0.99 -0.00 0.00 -0.81 0.00 0.00 33.47 31.59 1hfu s TRP 208 CO 0.25 0.16 0.51 -0.65 -0.51 0.00 0.00 176.95 176.71 1hfu s GLN 209 N -1.66 3.57 -0.13 4.98 -1.52 0.07 -0.90 119.66 124.07 1hfu s GLN 209 Ca 0.06 -0.21 -0.03 0.00 -1.95 0.00 0.00 55.36 53.23 1hfu s GLN 209 Cb -0.10 -3.82 -0.03 0.00 -0.22 0.00 0.00 33.01 28.84 1hfu s GLN 209 CO 0.03 -0.67 -0.04 0.12 -0.25 0.00 0.00 175.29 174.49 1hfu s PHE 210 N 2.39 3.03 0.18 0.91 5.36 0.45 -1.04 117.98 129.26 1hfu s PHE 210 Ca 0.18 -0.17 -0.17 0.00 -0.96 0.00 0.00 56.93 55.81 1hfu s PHE 210 Cb -0.15 -1.89 0.03 0.00 -0.34 0.00 0.00 43.02 40.66 1hfu s PHE 210 CO 0.14 0.10 0.49 -1.54 -1.46 0.00 0.00 175.22 172.94 1hfu s SER 211 N -0.00 -0.25 -0.10 6.13 1.04 -0.69 -1.60 113.70 118.23 1hfu s SER 211 Ca 0.01 -0.45 -0.01 0.00 0.48 0.00 0.00 55.95 55.98 1hfu s SER 211 Cb -0.13 0.55 0.03 0.00 0.10 0.00 0.00 66.02 66.56 1hfu s SER 211 CO 0.03 -1.00 -0.05 -0.63 0.98 0.00 0.00 173.24 172.57 1hfu s ILE 212 N -3.86 0.80 0.30 -1.02 1.01 -1.26 -0.72 121.20 116.45 1hfu s ILE 212 Ca 0.08 -0.15 -0.29 0.00 0.00 0.00 0.00 60.65 60.29 1hfu s ILE 212 Cb -0.00 -0.87 -0.13 0.00 0.01 0.00 0.00 42.46 41.47 1hfu s ILE 212 CO -0.05 0.33 1.37 0.47 0.00 0.00 0.00 174.94 177.06 1hfu n ASP 213 N 5.01 2.90 0.00 3.58 8.00 -0.48 -2.04 116.55 133.52 1hfu n ASP 213 Ca -0.11 1.18 0.00 0.00 0.71 0.00 0.00 54.79 56.57 1hfu n ASP 213 Cb 0.50 -1.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.12 1hfu n ASP 213 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hfu n GLY 214 N 1.45 1.21 3.33 0.44 0.00 -1.26 -4.73 105.19 105.63 1hfu n GLY 214 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 1hfu n GLY 214 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1hfu s HIS 215 N -2.73 1.79 0.32 1.61 3.76 -0.86 -4.89 115.29 114.29 1hfu s HIS 215 Ca 0.00 -0.48 0.07 0.00 -0.15 0.00 0.00 55.06 54.49 1hfu s HIS 215 Cb 0.00 -0.88 -0.02 0.00 1.11 0.00 0.00 32.58 32.78 1hfu s HIS 215 CO 0.00 0.33 0.35 -1.21 -0.85 0.00 0.00 174.74 173.37 1hfu s GLU 216 N -2.93 2.92 -0.29 1.40 2.02 -1.26 -4.53 118.70 116.02 1hfu s GLU 216 Ca 0.17 -1.15 0.02 0.00 0.02 0.00 0.00 54.97 54.03 1hfu s GLU 216 Cb -0.05 -2.63 0.07 0.00 0.10 0.00 0.00 34.13 31.62 1hfu s GLU 216 CO 0.07 0.12 -0.05 -0.51 0.02 0.00 0.00 175.26 174.91 1hfu s LEU 217 N -4.05 3.85 -0.74 1.80 1.43 0.29 -4.65 118.68 116.61 1hfu s LEU 217 Ca 0.41 -1.55 -0.18 0.00 -1.03 0.00 0.00 54.13 51.79 1hfu s LEU 217 Cb -0.07 -1.60 0.13 0.00 0.03 0.00 0.00 46.19 44.68 1hfu s LEU 217 CO 0.28 -0.25 0.85 -0.89 0.23 0.00 0.00 176.35 176.57 1hfu s THR 218 N 1.09 4.93 0.07 5.49 2.01 -0.99 -1.69 115.64 126.54 1hfu s THR 218 Ca -0.04 -1.43 -0.31 0.00 0.31 0.00 0.00 61.69 60.23 1hfu s THR 218 Cb -0.20 -4.58 -0.07 0.00 0.01 0.00 0.00 72.50 67.66 1hfu s THR 218 CO -0.05 -1.23 1.40 -0.63 -0.69 0.00 0.00 174.62 173.41 1hfu s ILE 219 N 2.25 3.48 0.00 1.82 1.01 0.45 -0.09 121.20 130.11 1hfu s ILE 219 Ca 0.19 1.00 0.00 0.00 0.00 0.00 0.00 60.65 61.84 1hfu s ILE 219 Cb -0.15 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.68 1hfu s ILE 219 CO -0.01 0.05 0.05 2.30 0.00 0.00 0.00 174.94 177.33 1hfu n ILE 220 N 4.24 0.00 -3.75 2.92 -5.35 -0.01 -1.40 119.36 116.01 1hfu n ILE 220 Ca 0.12 -0.23 -0.13 0.00 -0.27 0.00 0.00 62.75 62.24 1hfu n ILE 220 Cb 0.43 1.11 -0.10 0.00 -1.74 0.00 0.00 39.64 39.34 1hfu n ILE 220 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1hfu s GLU 221 N -0.37 0.44 -0.07 6.28 2.12 -1.17 -1.20 118.70 124.73 1hfu s GLU 221 Ca 0.00 0.42 -0.00 0.00 0.36 0.00 0.00 54.97 55.75 1hfu s GLU 221 Cb 0.00 0.21 0.03 0.00 0.26 0.00 0.00 34.13 34.63 1hfu s GLU 221 CO 0.00 -0.06 -0.03 0.08 -0.54 0.00 0.00 175.26 174.71 1hfu s VAL 222 N 0.03 0.54 -1.44 3.70 1.01 0.45 -1.17 120.40 123.53 1hfu s VAL 222 Ca -0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.90 1hfu s VAL 222 Cb -0.03 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.72 1hfu s VAL 222 CO 0.01 0.27 0.28 0.47 0.00 0.00 0.00 175.10 176.13 1hfu n ASP 223 N 4.78 -0.36 -0.83 3.32 8.00 0.22 -1.09 116.55 130.59 1hfu n ASP 223 Ca -0.13 -1.15 -0.11 0.00 0.71 0.00 0.00 54.79 54.11 1hfu n ASP 223 Cb 0.50 -2.32 -0.04 0.00 -0.02 0.00 0.00 41.12 39.24 1hfu n ASP 223 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hfu n GLY 224 N -2.24 1.12 2.90 0.44 0.00 -1.25 -4.42 105.19 101.75 1hfu n GLY 224 Ca -0.29 -0.54 -0.25 0.00 0.00 0.00 0.00 46.02 44.94 1hfu n GLY 224 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1hfu s GLU 225 N -2.98 1.31 0.58 1.61 0.41 -0.25 -4.76 118.70 114.62 1hfu s GLU 225 Ca 0.00 -0.19 -0.18 0.00 -0.41 0.00 0.00 54.97 54.18 1hfu s GLU 225 Cb 0.00 -1.37 -0.04 0.00 -1.78 0.00 0.00 34.13 30.94 1hfu s GLU 225 CO 0.00 -0.21 1.15 -0.51 -0.49 0.00 0.00 175.26 175.20 1hfu s LEU 226 N 1.53 3.65 0.29 1.80 1.43 -1.26 -0.41 118.68 125.71 1hfu s LEU 226 Ca 0.01 2.22 0.06 0.00 -1.03 0.00 0.00 54.13 55.38 1hfu s LEU 226 Cb -0.13 -4.58 -0.06 0.00 0.03 0.00 0.00 46.19 41.45 1hfu s LEU 226 CO -0.05 -1.43 -0.03 0.42 0.23 0.00 0.00 176.35 175.49 1hfu s THR 227 N -1.82 1.56 0.57 5.49 -4.23 -0.35 -2.19 115.64 114.67 1hfu s THR 227 Ca 0.73 -2.09 -0.20 0.00 -1.18 0.00 0.00 61.69 58.95 1hfu s THR 227 Cb -0.25 -2.54 -0.04 0.00 1.34 0.00 0.00 72.50 71.01 1hfu s THR 227 CO 0.32 -0.23 1.26 -1.61 -0.54 0.00 0.00 174.62 173.81 1hfu s GLU 228 N -3.76 3.08 0.05 3.99 2.02 -0.51 -4.67 118.70 118.89 1hfu s GLU 228 Ca 0.31 1.97 -0.30 0.00 0.02 0.00 0.00 54.97 56.97 1hfu s GLU 228 Cb 0.05 -2.08 -0.08 0.00 0.10 0.00 0.00 34.13 32.11 1hfu s GLU 228 CO 0.13 -1.16 1.78 -2.14 0.02 0.00 0.00 175.26 173.89 1hfu s PRO 229 N -3.12 4.16 -0.13 0.39 0.02 -1.26 -4.71 135.00 130.36 1hfu s PRO 229 Ca 0.74 2.45 -0.01 0.00 0.02 0.00 0.00 61.00 64.20 1hfu s PRO 229 Cb -0.34 -3.82 0.04 0.00 0.02 0.00 0.00 34.50 30.39 1hfu s PRO 229 CO 0.38 -0.84 -0.02 -1.58 -0.33 0.00 0.00 177.00 174.61 1hfu s HIS 230 N 3.42 1.23 -0.18 6.54 2.46 -0.49 -4.93 115.29 123.34 1hfu s HIS 230 Ca 0.80 -0.71 -0.09 0.00 0.47 0.00 0.00 55.06 55.52 1hfu s HIS 230 Cb -0.41 -1.10 -0.05 0.00 -0.13 0.00 0.00 32.58 30.90 1hfu s HIS 230 CO 0.35 -0.51 0.12 0.99 -2.47 0.00 0.00 174.74 173.22 1hfu s THR 231 N 1.79 5.30 0.30 0.89 2.01 -1.26 -0.41 115.64 124.26 1hfu s THR 231 Ca 0.02 0.15 0.03 0.00 0.31 0.00 0.00 61.69 62.20 1hfu s THR 231 Cb -0.14 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 1hfu s THR 231 CO -0.07 0.47 0.12 0.68 -0.69 0.00 0.00 174.62 175.13 1hfu s VAL 232 N 0.16 0.53 -0.03 3.82 -7.23 -0.68 -4.97 120.40 112.00 1hfu s VAL 232 Ca 0.08 -2.00 0.17 0.00 -1.81 0.00 0.00 61.98 58.42 1hfu s VAL 232 Cb -0.11 -2.57 -0.26 0.00 0.56 0.00 0.00 36.38 34.00 1hfu s VAL 232 CO -0.01 0.00 0.35 0.47 -0.31 0.00 0.00 175.10 175.60 1hfu n ASP 233 N -0.79 1.13 -3.70 4.85 8.00 0.31 -0.54 116.55 125.81 1hfu n ASP 233 Ca -0.00 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.36 1hfu n ASP 233 Cb 0.66 1.72 -0.09 0.00 -0.02 0.00 0.00 41.12 43.39 1hfu n ASP 233 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1hfu s ARG 234 N -3.13 0.60 0.02 -1.24 3.52 -0.97 -4.41 118.95 113.34 1hfu s ARG 234 Ca -0.06 0.52 -0.01 0.00 -0.13 0.00 0.00 55.73 56.06 1hfu s ARG 234 Cb 0.10 0.29 -0.02 0.00 -1.56 0.00 0.00 34.95 33.76 1hfu s ARG 234 CO 0.70 -0.10 -0.02 -0.48 -0.81 0.00 0.00 175.30 174.59 1hfu s LEU 235 N -0.05 2.23 -0.21 -0.88 0.05 -0.62 -0.73 118.68 118.47 1hfu s LEU 235 Ca -0.02 -0.55 -0.10 0.00 0.05 0.00 0.00 54.13 53.50 1hfu s LEU 235 Cb -0.03 0.15 -0.05 0.00 -2.05 0.00 0.00 46.19 44.21 1hfu s LEU 235 CO 0.02 -0.35 0.14 -1.58 -0.55 0.00 0.00 176.35 174.03 1hfu s GLN 236 N -1.80 4.12 -0.14 1.48 0.74 -1.26 -0.41 119.66 122.40 1hfu s GLN 236 Ca -0.13 -0.25 0.03 0.00 0.05 0.00 0.00 55.36 55.06 1hfu s GLN 236 Cb -0.07 -3.45 0.01 0.00 1.10 0.00 0.00 33.01 30.60 1hfu s GLN 236 CO -0.02 0.20 -0.22 -1.50 -0.55 0.00 0.00 175.29 173.20 1hfu s ILE 237 N 0.65 2.09 0.39 -2.34 2.07 -0.08 -4.96 121.20 119.01 1hfu s ILE 237 Ca 0.07 -0.97 0.04 0.00 -1.41 0.00 0.00 60.65 58.38 1hfu s ILE 237 Cb -0.12 -1.83 -0.01 0.00 0.13 0.00 0.00 42.46 40.63 1hfu s ILE 237 CO 0.01 0.55 0.57 -0.36 -1.91 0.00 0.00 174.94 173.79 1hfu s PHE 238 N 0.76 3.16 -0.44 3.50 0.08 -1.26 -1.73 117.98 122.05 1hfu s PHE 238 Ca -0.08 -0.01 -0.46 0.00 0.12 0.00 0.00 56.93 56.50 1hfu s PHE 238 Cb -0.16 -2.15 -0.19 0.00 -0.57 0.00 0.00 43.02 39.94 1hfu s PHE 238 CO -0.01 -0.19 1.59 0.25 -0.10 0.00 0.00 175.22 176.77 1hfu n THR 239 N -1.85 0.04 -0.96 0.64 -2.24 -1.26 -1.23 114.28 107.41 1hfu n THR 239 Ca 0.01 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1hfu n THR 239 Cb 0.58 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1hfu n THR 239 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hfu n GLY 240 N 3.89 0.37 3.88 3.38 0.00 -1.03 -4.92 105.19 110.76 1hfu n GLY 240 Ca 0.30 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.02 1hfu n GLY 240 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hfu s GLN 241 N -0.68 3.63 0.02 1.61 -0.21 -0.37 -4.81 119.66 118.86 1hfu s GLN 241 Ca 0.00 0.54 0.01 0.00 0.02 0.00 0.00 55.36 55.93 1hfu s GLN 241 Cb 0.00 -2.23 -0.02 0.00 1.00 0.00 0.00 33.01 31.77 1hfu s GLN 241 CO 0.00 -0.35 -0.05 1.03 -2.12 0.00 0.00 175.29 173.80 1hfu s ARG 242 N -4.77 0.39 -0.02 2.91 3.00 -1.26 -1.55 118.95 117.66 1hfu s ARG 242 Ca 0.52 -0.52 0.01 0.00 0.00 0.00 0.00 55.73 55.73 1hfu s ARG 242 Cb -0.11 -0.18 0.02 0.00 0.00 0.00 0.00 34.95 34.68 1hfu s ARG 242 CO 0.46 0.03 -0.01 0.71 0.00 0.00 0.00 175.30 176.49 1hfu s TYR 243 N -1.00 0.30 -0.17 -0.53 2.02 -0.06 -0.61 117.35 117.30 1hfu s TYR 243 Ca -0.08 -0.02 -0.11 0.00 -0.37 0.00 0.00 57.07 56.49 1hfu s TYR 243 Cb -0.07 -0.32 -0.05 0.00 -0.40 0.00 0.00 41.96 41.12 1hfu s TYR 243 CO -0.00 -0.08 0.19 -1.12 -1.57 0.00 0.00 175.55 172.97 1hfu s SER 244 N 0.58 6.33 0.00 2.29 0.01 -0.32 -0.07 113.70 122.52 1hfu s SER 244 Ca -0.06 0.38 0.04 0.00 1.31 0.00 0.00 55.95 57.63 1hfu s SER 244 Cb -0.09 -2.12 -0.01 0.00 0.21 0.00 0.00 66.02 64.01 1hfu s SER 244 CO -0.01 0.19 -0.14 0.72 0.41 0.00 0.00 173.24 174.41 1hfu s PHE 245 N 0.14 1.24 -0.02 2.43 -0.12 0.18 -0.83 117.98 121.01 1hfu s PHE 245 Ca 0.12 -0.26 -0.29 0.00 -0.05 0.00 0.00 56.93 56.45 1hfu s PHE 245 Cb -0.12 -0.79 -0.03 0.00 -0.63 0.00 0.00 43.02 41.46 1hfu s PHE 245 CO 0.01 -0.01 0.94 0.08 -0.05 0.00 0.00 175.22 176.20 1hfu s VAL 246 N -0.44 4.89 -0.28 -2.49 1.01 0.86 -0.21 120.40 123.75 1hfu s VAL 246 Ca 0.05 1.97 -0.08 0.00 0.00 0.00 0.00 61.98 63.92 1hfu s VAL 246 Cb -0.06 -4.28 -0.01 0.00 0.00 0.00 0.00 36.38 32.03 1hfu s VAL 246 CO -0.00 0.16 0.10 -0.22 0.00 0.00 0.00 175.10 175.14 1hfu s LEU 247 N 1.05 3.74 -0.49 3.92 1.98 0.24 -2.35 118.68 126.76 1hfu s LEU 247 Ca 0.50 -0.42 -0.18 0.00 -2.89 0.00 0.00 54.13 51.14 1hfu s LEU 247 Cb -0.20 -1.94 0.06 0.00 0.66 0.00 0.00 46.19 44.77 1hfu s LEU 247 CO 0.26 -0.12 0.56 -0.62 -1.89 0.00 0.00 176.35 174.53 1hfu s ASP 248 N 1.59 6.20 -1.24 3.68 -1.08 -1.26 -1.08 116.67 123.48 1hfu s ASP 248 Ca 0.05 -1.02 -0.17 0.00 -0.52 0.00 0.00 52.55 50.89 1hfu s ASP 248 Cb -0.16 -2.26 -0.02 0.00 -1.46 0.00 0.00 42.92 39.02 1hfu s ASP 248 CO 0.04 -0.81 2.11 0.00 0.52 0.00 0.00 175.17 177.03 1hfu n ALA 249 N 5.88 4.71 -1.05 3.66 0.00 -0.75 -4.62 120.51 128.34 1hfu n ALA 249 Ca -0.08 -3.69 0.05 0.00 0.00 0.00 0.00 53.44 49.71 1hfu n ALA 249 Cb 0.45 -3.57 0.28 0.00 0.00 0.00 0.00 19.45 16.61 1hfu n ALA 249 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1hfu n ASN 250 N 6.80 4.10 -4.89 0.00 0.23 -1.26 -1.04 115.26 119.21 1hfu n ASN 250 Ca 0.51 -3.13 -0.21 0.00 -0.53 0.00 0.00 54.58 51.22 1hfu n ASN 250 Cb 0.40 -0.60 -0.03 0.00 -2.08 0.00 0.00 39.78 37.47 1hfu n ASN 250 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 1hfu s GLN 251 N -2.90 2.51 0.52 -3.83 -1.52 -1.26 -5.03 119.66 108.14 1hfu s GLN 251 Ca 0.46 -1.57 -0.22 0.00 -1.95 0.00 0.00 55.36 52.08 1hfu s GLN 251 Cb 0.37 -2.37 -0.07 0.00 -0.22 0.00 0.00 33.01 30.73 1hfu s GLN 251 CO 0.09 -0.25 1.23 -2.30 -0.25 0.00 0.00 175.29 173.82 1hfu n PRO 252 N -1.59 1.57 -1.65 2.91 -0.02 -1.26 -4.87 135.00 130.09 1hfu n PRO 252 Ca 0.04 0.58 -0.47 0.00 -2.02 0.00 0.00 63.50 61.62 1hfu n PRO 252 Cb 0.62 -2.41 -0.05 0.00 -0.02 0.00 0.00 33.50 31.64 1hfu n PRO 252 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1hfu n VAL 253 N -0.92 0.54 -3.97 -1.45 0.31 -1.26 -4.86 118.33 106.72 1hfu n VAL 253 Ca 0.10 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1hfu n VAL 253 Cb 0.43 -1.97 0.02 0.00 -0.91 0.00 0.00 33.84 31.41 1hfu n VAL 253 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1hfu s ASP 254 N 4.90 0.01 -0.15 4.52 -1.08 -1.26 -4.82 116.67 118.79 1hfu s ASP 254 Ca 0.95 -0.40 -0.07 0.00 -0.52 0.00 0.00 52.55 52.52 1hfu s ASP 254 Cb -0.65 0.28 -0.04 0.00 -1.46 0.00 0.00 42.92 41.05 1hfu s ASP 254 CO 0.49 -0.57 0.09 0.20 0.52 0.00 0.00 175.17 175.90 1hfu s ASN 255 N -3.70 5.89 -0.04 -0.34 0.01 -1.26 -1.94 114.94 113.56 1hfu s ASN 255 Ca 0.27 0.24 0.03 0.00 -0.71 0.00 0.00 52.86 52.70 1hfu s ASN 255 Cb -0.02 -1.93 0.00 0.00 0.41 0.00 0.00 41.25 39.72 1hfu s ASN 255 CO 0.02 0.29 -0.13 -0.31 -1.51 0.00 0.00 177.10 175.46 1hfu s TYR 256 N -0.30 1.34 0.27 2.20 1.51 0.20 -4.39 117.35 118.18 1hfu s TYR 256 Ca 0.09 -0.38 -0.29 0.00 -1.01 0.00 0.00 57.07 55.48 1hfu s TYR 256 Cb -0.12 -0.93 -0.10 0.00 -0.11 0.00 0.00 41.96 40.70 1hfu s TYR 256 CO 0.01 -0.15 1.33 -1.58 -1.11 0.00 0.00 175.55 174.05 1hfu s TRP 257 N 0.19 3.14 -0.22 2.71 0.23 -1.26 -0.13 118.94 123.59 1hfu s TRP 257 Ca -0.05 1.29 -0.12 0.00 -2.03 0.00 0.00 56.10 55.19 1hfu s TRP 257 Cb -0.11 -3.66 -0.05 0.00 0.03 0.00 0.00 33.47 29.68 1hfu s TRP 257 CO 0.02 -1.97 0.23 0.42 0.96 0.00 0.00 176.95 176.60 1hfu s ILE 258 N -0.51 5.32 -0.10 2.03 1.01 -0.13 -1.39 121.20 127.43 1hfu s ILE 258 Ca 0.53 0.35 0.03 0.00 0.00 0.00 0.00 60.65 61.56 1hfu s ILE 258 Cb -0.39 -3.56 -0.01 0.00 0.01 0.00 0.00 42.46 38.51 1hfu s ILE 258 CO 0.46 0.34 -0.21 -0.13 0.00 0.00 0.00 174.94 175.39 1hfu s ARG 259 N 0.96 3.01 -0.31 2.79 0.52 0.10 -1.16 118.95 124.87 1hfu s ARG 259 Ca 0.11 -0.83 -0.02 0.00 -0.52 0.00 0.00 55.73 54.47 1hfu s ARG 259 Cb -0.13 -2.35 0.11 0.00 0.52 0.00 0.00 34.95 33.09 1hfu s ARG 259 CO 0.04 0.24 0.14 0.00 0.02 0.00 0.00 175.30 175.75 1hfu s ALA 260 N 0.21 0.94 -0.34 2.13 0.00 -0.53 -1.70 121.76 122.46 1hfu s ALA 260 Ca -0.13 -1.43 -0.15 0.00 0.00 0.00 0.00 51.96 50.25 1hfu s ALA 260 Cb -0.16 -1.50 -0.01 0.00 0.00 0.00 0.00 23.12 21.44 1hfu s ALA 260 CO 0.07 -1.76 0.35 -1.14 0.00 0.00 0.00 175.76 173.27 1hfu s GLN 261 N 1.72 3.55 0.74 0.00 0.74 -0.21 -4.69 119.66 121.52 1hfu s GLN 261 Ca 0.11 -0.45 -0.11 0.00 0.05 0.00 0.00 55.36 54.97 1hfu s GLN 261 Cb -0.18 -3.81 0.04 0.00 1.10 0.00 0.00 33.01 30.16 1hfu s GLN 261 CO -0.26 -0.51 1.08 -1.25 -0.55 0.00 0.00 175.29 173.80 1hfu s PRO 262 N 1.98 2.53 0.08 1.67 0.04 -1.26 -0.75 135.00 139.29 1hfu s PRO 262 Ca 0.11 1.06 0.26 0.00 0.04 0.00 0.00 61.00 62.47 1hfu s PRO 262 Cb -0.17 -1.94 0.68 0.00 0.04 0.00 0.00 34.50 33.12 1hfu s PRO 262 CO 0.11 -1.42 1.57 0.27 0.04 0.00 0.00 177.00 177.58 1hfu n ASN 263 N -3.36 0.51 -3.92 6.66 6.94 -0.63 -4.46 115.26 117.00 1hfu n ASN 263 Ca 0.08 0.20 -0.09 0.00 -0.02 0.00 0.00 54.58 54.75 1hfu n ASN 263 Cb 0.53 -0.15 -0.07 0.00 -2.36 0.00 0.00 39.78 37.73 1hfu n ASN 263 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 1hfu s LYS 264 N -3.07 1.09 0.00 -3.83 -2.85 -1.26 -4.93 119.74 104.89 1hfu s LYS 264 Ca 0.10 -1.11 0.00 0.00 -1.00 0.00 0.00 55.97 53.97 1hfu s LYS 264 Cb 0.16 0.37 0.00 0.00 -2.06 0.00 0.00 37.83 36.30 1hfu s LYS 264 CO 0.65 -0.39 0.00 0.41 0.10 0.00 0.00 175.35 176.12 1hfu n GLY 265 N -0.18 2.76 3.78 0.59 0.00 -1.26 -4.42 105.19 106.45 1hfu n GLY 265 Ca -0.09 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 44.80 1hfu n GLY 265 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hfu s ARG 266 N -2.00 4.30 -1.46 1.61 0.52 -0.29 -3.94 118.95 117.69 1hfu s ARG 266 Ca 0.00 1.48 -0.08 0.00 -0.52 0.00 0.00 55.73 56.60 1hfu s ARG 266 Cb 0.00 -2.64 0.03 0.00 0.52 0.00 0.00 34.95 32.86 1hfu s ARG 266 CO 0.00 -0.01 0.86 0.09 0.02 0.00 0.00 175.30 176.26 1hfu n ASN 267 N 0.15 -5.74 0.00 0.23 5.03 -1.26 -1.98 115.26 111.69 1hfu n ASN 267 Ca 0.04 -0.47 0.00 0.00 0.87 0.00 0.00 54.58 55.02 1hfu n ASN 267 Cb 0.49 -4.59 0.00 0.00 -1.02 0.00 0.00 39.78 34.67 1hfu n ASN 267 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1hfu n GLY 268 N -1.69 0.50 0.39 7.41 0.00 -1.26 -4.88 105.19 105.67 1hfu n GLY 268 Ca -0.03 -0.28 0.17 0.00 0.00 0.00 0.00 46.02 45.87 1hfu n GLY 268 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1hfu h LEU 269 N 0.00 0.47 -1.28 0.99 5.85 -1.52 0.11 115.31 119.93 1hfu h LEU 269 Ca 0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1hfu h LEU 269 Cb 0.00 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 40.98 1hfu h LEU 269 CO 0.00 0.21 0.00 0.00 -0.34 0.00 0.00 178.44 178.31 1hfu h ALA 270 N 1.62 1.00 -0.07 1.25 0.00 -1.77 -3.25 119.26 118.03 1hfu h ALA 270 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1hfu h ALA 270 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1hfu h ALA 270 CO -0.18 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.48 1hfu n GLY 271 N -0.35 3.43 3.39 0.00 0.00 0.39 -4.67 105.19 107.39 1hfu n GLY 271 Ca 0.01 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 1hfu n GLY 271 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1hfu s THR 272 N -1.52 0.05 -0.01 2.61 -1.32 -1.20 -5.00 115.64 109.25 1hfu s THR 272 Ca 0.13 -1.32 0.01 0.00 -1.21 0.00 0.00 61.69 59.30 1hfu s THR 272 Cb 0.10 -1.88 0.01 0.00 -1.51 0.00 0.00 72.50 69.23 1hfu s THR 272 CO 0.04 -0.22 0.88 0.49 -2.21 0.00 0.00 174.62 173.60 1hfu n PHE 273 N -0.26 0.00 -1.73 9.09 3.72 -1.26 -4.76 117.46 122.26 1hfu n PHE 273 Ca -0.07 -0.39 -0.42 0.00 -0.05 0.00 0.00 57.45 56.53 1hfu n PHE 273 Cb 0.63 -0.04 -0.01 0.00 -0.94 0.00 0.00 39.48 39.12 1hfu n PHE 273 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1hfu n ALA 274 N -0.41 1.80 -1.92 4.37 0.00 -1.26 -1.81 120.51 121.28 1hfu n ALA 274 Ca 0.01 0.36 -0.18 0.00 0.00 0.00 0.00 53.44 53.63 1hfu n ALA 274 Cb 0.34 -2.34 -0.05 0.00 0.00 0.00 0.00 19.45 17.40 1hfu n ALA 274 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1hfu n ASN 275 N 1.06 -5.27 0.00 0.00 3.02 -1.26 -2.63 115.26 110.18 1hfu n ASN 275 Ca 0.05 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.83 1hfu n ASN 275 Cb 0.36 -4.36 0.00 0.00 -0.61 0.00 0.00 39.78 35.17 1hfu n ASN 275 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hfu n GLY 276 N -0.86 0.47 3.80 7.41 0.00 -0.75 -5.00 105.19 110.26 1hfu n GLY 276 Ca -0.20 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 44.95 1hfu n GLY 276 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1hfu s VAL 277 N -2.00 3.82 -1.51 1.61 -7.23 -1.08 -3.62 120.40 110.39 1hfu s VAL 277 Ca 0.00 0.78 -0.03 0.00 -1.81 0.00 0.00 61.98 60.91 1hfu s VAL 277 Cb 0.00 -3.35 0.01 0.00 0.56 0.00 0.00 36.38 33.60 1hfu s VAL 277 CO 0.00 -0.59 0.33 0.59 -0.31 0.00 0.00 175.10 175.12 1hfu n ASN 278 N -2.40 -5.41 -3.99 4.85 3.02 -1.26 -4.55 115.26 105.53 1hfu n ASN 278 Ca 0.08 -0.15 -0.09 0.00 -0.03 0.00 0.00 54.58 54.39 1hfu n ASN 278 Cb 0.53 -4.45 -0.11 0.00 -0.61 0.00 0.00 39.78 35.15 1hfu n ASN 278 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1hfu s SER 279 N -2.42 0.26 0.34 6.41 0.01 -1.24 -1.45 113.70 115.61 1hfu s SER 279 Ca 0.19 -0.56 0.06 0.00 1.31 0.00 0.00 55.95 56.95 1hfu s SER 279 Cb -0.09 0.12 -0.02 0.00 0.21 0.00 0.00 66.02 66.24 1hfu s SER 279 CO 0.23 -0.35 0.31 0.00 0.41 0.00 0.00 173.24 173.84 1hfu s ALA 280 N -1.83 1.72 -0.10 1.44 0.00 -0.30 -4.67 121.76 118.02 1hfu s ALA 280 Ca -0.12 -2.01 0.03 0.00 0.00 0.00 0.00 51.96 49.86 1hfu s ALA 280 Cb -0.07 1.43 0.01 0.00 0.00 0.00 0.00 23.12 24.49 1hfu s ALA 280 CO -0.02 -0.69 -0.19 0.42 0.00 0.00 0.00 175.76 175.28 1hfu s ILE 281 N -3.35 1.73 -0.38 0.00 1.01 -0.10 -0.96 121.20 119.16 1hfu s ILE 281 Ca 0.39 -0.81 -0.19 0.00 0.00 0.00 0.00 60.65 60.04 1hfu s ILE 281 Cb 0.02 -1.53 0.01 0.00 0.01 0.00 0.00 42.46 40.96 1hfu s ILE 281 CO 0.27 0.49 0.56 -0.22 0.00 0.00 0.00 174.94 176.04 1hfu s LEU 282 N 0.60 4.41 -0.20 2.97 2.96 0.81 -0.44 118.68 129.79 1hfu s LEU 282 Ca -0.14 -0.12 -0.03 0.00 -0.22 0.00 0.00 54.13 53.62 1hfu s LEU 282 Cb -0.17 -2.64 -0.01 0.00 0.50 0.00 0.00 46.19 43.88 1hfu s LEU 282 CO 0.04 -0.58 -0.07 -0.60 -1.32 0.00 0.00 176.35 173.83 1hfu s ARG 283 N 2.53 3.38 0.23 1.98 3.52 0.08 -0.63 118.95 130.05 1hfu s ARG 283 Ca 0.20 -0.64 -0.30 0.00 -0.13 0.00 0.00 55.73 54.86 1hfu s ARG 283 Cb -0.15 -2.92 -0.09 0.00 -1.56 0.00 0.00 34.95 30.23 1hfu s ARG 283 CO 0.15 -0.10 0.97 0.71 -0.81 0.00 0.00 175.30 176.22 1hfu s TYR 284 N 1.21 3.90 0.16 5.12 1.51 -0.82 -1.66 117.35 126.76 1hfu s TYR 284 Ca 0.02 1.87 -0.33 0.00 -1.01 0.00 0.00 57.07 57.62 1hfu s TYR 284 Cb -0.14 -3.04 -0.13 0.00 -0.11 0.00 0.00 41.96 38.53 1hfu s TYR 284 CO -0.02 0.25 1.67 0.00 -1.11 0.00 0.00 175.55 176.33 1hfu n ALA 285 N 1.57 1.87 0.00 3.71 0.00 0.15 -0.43 120.51 127.38 1hfu n ALA 285 Ca -0.01 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1hfu n ALA 285 Cb 0.47 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.48 1hfu n ALA 285 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hfu n GLY 286 N 3.72 3.19 3.82 0.00 0.00 -1.26 -4.80 105.19 109.86 1hfu n GLY 286 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1hfu n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hfu s ALA 287 N -2.79 2.27 0.70 4.61 0.00 0.43 -4.96 121.76 122.03 1hfu s ALA 287 Ca 0.00 -0.34 -0.11 0.00 0.00 0.00 0.00 51.96 51.51 1hfu s ALA 287 Cb 0.00 -3.06 0.01 0.00 0.00 0.00 0.00 23.12 20.07 1hfu s ALA 287 CO 0.00 -1.76 1.07 0.00 0.00 0.00 0.00 175.76 175.06 1hfu s ALA 288 N -3.25 2.69 -1.22 0.00 0.00 -1.26 -4.92 121.76 113.78 1hfu s ALA 288 Ca 0.61 -0.04 -0.18 0.00 0.00 0.00 0.00 51.96 52.35 1hfu s ALA 288 Cb -0.14 -3.13 0.08 0.00 0.00 0.00 0.00 23.12 19.94 1hfu s ALA 288 CO 0.53 -1.22 1.62 1.21 0.00 0.00 0.00 175.76 177.90 1hfu s ASN 289 N -3.93 6.81 0.21 0.00 3.84 -1.26 -4.85 114.94 115.76 1hfu s ASN 289 Ca 0.58 -2.35 -0.21 0.00 0.21 0.00 0.00 52.86 51.09 1hfu s ASN 289 Cb -0.13 -2.54 0.04 0.00 -0.55 0.00 0.00 41.25 38.07 1hfu s ASN 289 CO 0.54 -1.16 0.64 0.00 -2.79 0.00 0.00 177.10 174.33 1hfu s ALA 290 N 3.89 -1.33 0.54 1.71 0.00 -1.26 -5.16 121.76 120.15 1hfu s ALA 290 Ca 0.50 0.04 -0.19 0.00 0.00 0.00 0.00 51.96 52.31 1hfu s ALA 290 Cb 0.02 0.87 -0.06 0.00 0.00 0.00 0.00 23.12 23.95 1hfu s ALA 290 CO 0.03 -0.89 1.07 -0.51 0.00 0.00 0.00 175.76 175.47 1hfu s ASP 291 N -2.84 5.95 0.77 0.00 1.01 -1.26 -4.91 116.67 115.39 1hfu s ASP 291 Ca 0.07 1.98 -0.14 0.00 0.71 0.00 0.00 52.55 55.17 1hfu s ASP 291 Cb -0.03 -2.56 0.06 0.00 1.01 0.00 0.00 42.92 41.40 1hfu s ASP 291 CO -0.03 -1.05 1.19 -2.84 0.21 0.00 0.00 175.17 172.64 1hfu s PRO 292 N -3.49 1.92 -0.09 8.23 0.02 -1.26 -4.94 135.00 135.39 1hfu s PRO 292 Ca 0.68 1.68 0.13 0.00 0.02 0.00 0.00 61.00 63.51 1hfu s PRO 292 Cb -0.19 -1.82 0.21 0.00 0.02 0.00 0.00 34.50 32.73 1hfu s PRO 292 CO 0.27 -1.99 1.11 0.25 -0.33 0.00 0.00 177.00 176.31 1hfu n THR 293 N -3.08 1.22 -1.85 0.99 -2.24 -1.26 -4.95 114.28 103.12 1hfu n THR 293 Ca 0.13 -1.56 -0.30 0.00 -2.27 0.00 0.00 64.05 60.04 1hfu n THR 293 Cb 0.51 0.06 0.05 0.00 -2.10 0.00 0.00 70.33 68.84 1hfu n THR 293 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1hfu s THR 294 N -1.85 3.62 0.11 4.28 -4.23 -1.26 -5.10 115.64 111.21 1hfu s THR 294 Ca 0.22 0.53 0.06 0.00 -1.18 0.00 0.00 61.69 61.32 1hfu s THR 294 Cb 0.20 -3.49 -0.04 0.00 1.34 0.00 0.00 72.50 70.51 1hfu s THR 294 CO 0.00 -0.69 -0.15 -0.44 -0.54 0.00 0.00 174.62 172.81 1hfu s SER 295 N -4.28 2.00 0.70 3.99 0.01 -1.26 -4.86 113.70 110.00 1hfu s SER 295 Ca 0.58 -0.77 -0.15 0.00 1.31 0.00 0.00 55.95 56.92 1hfu s SER 295 Cb -0.11 -0.07 0.02 0.00 0.21 0.00 0.00 66.02 66.06 1hfu s SER 295 CO 0.52 -0.12 1.16 0.00 0.41 0.00 0.00 173.24 175.21 1hfu s ALA 296 N -1.92 2.29 0.14 1.44 0.00 -1.26 -4.51 121.76 117.93 1hfu s ALA 296 Ca 0.07 0.71 -0.31 0.00 0.00 0.00 0.00 51.96 52.42 1hfu s ALA 296 Cb -0.06 -3.39 -0.10 0.00 0.00 0.00 0.00 23.12 19.57 1hfu s ALA 296 CO 0.03 -1.58 1.69 1.21 0.00 0.00 0.00 175.76 177.11 1hfu s ASN 297 N -2.32 6.51 0.00 0.00 3.84 -1.26 -4.85 114.94 116.86 1hfu s ASN 297 Ca 0.70 2.66 0.22 0.00 0.21 0.00 0.00 52.86 56.66 1hfu s ASN 297 Cb -0.25 -2.58 1.09 0.00 -0.55 0.00 0.00 41.25 38.97 1hfu s ASN 297 CO 0.43 -0.91 1.73 -0.81 -2.79 0.00 0.00 177.10 174.75 1hfu n PRO 298 N 4.85 0.24 -3.13 0.43 -0.04 -1.26 -3.94 135.00 132.16 1hfu n PRO 298 Ca 0.16 0.08 -0.19 0.00 -0.04 0.00 0.00 63.50 63.51 1hfu n PRO 298 Cb 0.38 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.31 1hfu n PRO 298 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1hfu n ASN 299 N -1.34 0.04 -4.78 3.54 5.15 -1.26 -5.13 115.26 111.48 1hfu n ASN 299 Ca 0.09 -2.94 -0.34 0.00 -0.60 0.00 0.00 54.58 50.79 1hfu n ASN 299 Cb 0.20 -0.27 -0.00 0.00 -0.53 0.00 0.00 39.78 39.18 1hfu n ASN 299 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1hfu s PRO 300 N -1.46 3.41 -0.31 1.20 0.04 -1.25 -5.00 135.00 131.63 1hfu s PRO 300 Ca 0.36 1.49 -0.27 0.00 0.04 0.00 0.00 61.00 62.63 1hfu s PRO 300 Cb 0.26 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.78 1hfu s PRO 300 CO -0.10 -0.78 0.95 0.00 0.04 0.00 0.00 177.00 177.10 1hfu s ALA 301 N -1.94 3.52 -0.12 8.56 0.00 -1.26 -4.93 121.76 125.59 1hfu s ALA 301 Ca 0.70 -0.21 -0.15 0.00 0.00 0.00 0.00 51.96 52.30 1hfu s ALA 301 Cb -0.21 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.36 1hfu s ALA 301 CO 0.27 -1.35 0.35 -1.14 0.00 0.00 0.00 175.76 173.89 1hfu s GLN 302 N 3.33 4.17 0.26 0.00 2.00 -1.26 -0.53 119.66 127.63 1hfu s GLN 302 Ca 0.40 0.22 -0.31 0.00 -2.00 0.00 0.00 55.36 53.67 1hfu s GLN 302 Cb -0.13 -3.38 -0.13 0.00 0.80 0.00 0.00 33.01 30.17 1hfu s GLN 302 CO 0.14 0.33 1.41 -0.11 -0.50 0.00 0.00 175.29 176.55 1hfu n LEU 303 N 3.20 3.24 -4.09 3.68 7.94 0.09 -4.99 117.00 126.08 1hfu n LEU 303 Ca -0.11 1.15 -0.31 0.00 -1.11 0.00 0.00 56.01 55.63 1hfu n LEU 303 Cb 0.52 -1.45 -0.16 0.00 0.53 0.00 0.00 43.42 42.86 1hfu n LEU 303 CO 0.40 -0.45 -0.51 0.21 -1.11 0.00 0.00 177.39 175.93 1hfu s ASN 304 N 0.23 2.80 0.52 1.96 3.84 -1.26 -4.79 114.94 118.24 1hfu s ASN 304 Ca 0.66 -0.53 0.21 0.00 0.21 0.00 0.00 52.86 53.42 1hfu s ASN 304 Cb -0.63 -1.27 1.33 0.00 -0.55 0.00 0.00 41.25 40.13 1hfu s ASN 304 CO 0.51 0.01 2.05 -0.08 -2.79 0.00 0.00 177.10 176.81 1hfu h GLU 305 N 7.63 0.02 0.00 0.43 4.81 -1.94 -0.44 114.58 125.10 1hfu h GLU 305 Ca -0.36 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1hfu h GLU 305 Cb 1.16 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1hfu h GLU 305 CO 0.54 0.02 0.00 0.00 -0.73 0.00 0.00 179.01 178.84 1hfu n ALA 306 N -2.60 1.59 0.68 2.92 0.00 -1.26 -1.69 120.51 120.16 1hfu n ALA 306 Ca 0.05 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.60 1hfu n ALA 306 Cb 0.40 -1.25 0.20 0.00 0.00 0.00 0.00 19.45 18.80 1hfu n ALA 306 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1hfu n ASP 307 N -1.68 0.63 -4.73 0.00 8.00 -0.17 -4.88 116.55 113.70 1hfu n ASP 307 Ca 0.03 0.04 -0.40 0.00 0.71 0.00 0.00 54.79 55.17 1hfu n ASP 307 Cb 0.16 0.17 -0.05 0.00 -0.02 0.00 0.00 41.12 41.39 1hfu n ASP 307 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1hfu s LEU 308 N -3.89 4.41 -0.06 0.64 1.43 -0.68 -5.03 118.68 115.51 1hfu s LEU 308 Ca 0.08 1.46 0.04 0.00 -1.03 0.00 0.00 54.13 54.67 1hfu s LEU 308 Cb 0.15 -3.28 0.00 0.00 0.03 0.00 0.00 46.19 43.09 1hfu s LEU 308 CO 0.71 -0.06 -0.16 -1.00 0.23 0.00 0.00 176.35 176.07 1hfu s HIS 309 N 0.29 1.68 0.54 0.29 3.76 -1.26 -2.93 115.29 117.66 1hfu s HIS 309 Ca 0.41 -0.55 -0.22 0.00 -0.15 0.00 0.00 55.06 54.55 1hfu s HIS 309 Cb -0.20 -1.16 -0.06 0.00 1.11 0.00 0.00 32.58 32.27 1hfu s HIS 309 CO 0.23 -0.22 1.31 0.00 -0.85 0.00 0.00 174.74 175.21 1hfu n ALA 310 N 3.40 1.42 -0.11 -1.40 0.00 -0.92 -1.43 120.51 121.47 1hfu n ALA 310 Ca -0.20 0.13 -0.21 0.00 0.00 0.00 0.00 53.44 53.17 1hfu n ALA 310 Cb 0.53 -2.32 -0.10 0.00 0.00 0.00 0.00 19.45 17.56 1hfu n ALA 310 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1hfu n LEU 311 N -0.82 1.87 -4.70 0.00 7.94 -0.93 -4.55 117.00 115.82 1hfu n LEU 311 Ca 0.10 0.43 -0.35 0.00 -1.11 0.00 0.00 56.01 55.08 1hfu n LEU 311 Cb 0.44 -0.92 -0.09 0.00 0.53 0.00 0.00 43.42 43.38 1hfu n LEU 311 CO 0.54 0.23 -0.22 -0.63 -1.11 0.00 0.00 177.39 176.20 1hfu s ILE 312 N -2.39 5.08 -1.17 1.96 -1.09 -1.26 -4.59 121.20 117.74 1hfu s ILE 312 Ca -0.29 0.06 -0.25 0.00 -2.23 0.00 0.00 60.65 57.94 1hfu s ILE 312 Cb 0.07 -3.28 0.01 0.00 -1.58 0.00 0.00 42.46 37.68 1hfu s ILE 312 CO 0.53 0.48 0.76 0.47 -1.23 0.00 0.00 174.94 175.94 1hfu n ASP 313 N 3.25 -4.89 0.21 3.58 8.00 -1.26 -4.86 116.55 120.59 1hfu n ASP 313 Ca -0.17 -1.11 0.05 0.00 0.71 0.00 0.00 54.79 54.27 1hfu n ASP 313 Cb 0.53 -2.83 0.47 0.00 -0.02 0.00 0.00 41.12 39.27 1hfu n ASP 313 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1hfu h PRO 314 N -2.14 0.00 -6.91 -0.24 0.13 -1.83 -3.45 132.00 117.56 1hfu h PRO 314 Ca -0.68 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 63.92 1hfu h PRO 314 Cb 1.38 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.58 1hfu h PRO 314 CO 0.50 0.26 0.66 0.00 -0.23 0.00 0.00 178.00 179.19 1hfu s ALA 315 N -4.32 3.46 0.53 -0.56 0.00 -1.15 -3.83 121.76 115.89 1hfu s ALA 315 Ca -0.03 1.33 -0.19 0.00 0.00 0.00 0.00 51.96 53.06 1hfu s ALA 315 Cb 0.14 -3.51 -0.06 0.00 0.00 0.00 0.00 23.12 19.69 1hfu s ALA 315 CO 0.69 -0.78 1.08 0.00 0.00 0.00 0.00 175.76 176.76 1hfu s ALA 316 N -1.16 2.76 0.62 0.00 0.00 -0.32 -4.98 121.76 118.69 1hfu s ALA 316 Ca 0.52 0.68 -0.16 0.00 0.00 0.00 0.00 51.96 53.00 1hfu s ALA 316 Cb -0.41 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.39 1hfu s ALA 316 CO 0.54 -0.61 1.11 -1.25 0.00 0.00 0.00 175.76 175.56 1hfu s PRO 317 N -3.37 2.98 0.05 0.00 0.04 -1.26 -4.92 135.00 128.52 1hfu s PRO 317 Ca 0.69 1.45 0.00 0.00 0.04 0.00 0.00 61.00 63.18 1hfu s PRO 317 Cb -0.20 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1hfu s PRO 317 CO 0.26 -1.12 0.00 0.41 0.04 0.00 0.00 177.00 176.59 1hfu n GLY 318 N -0.34 -2.62 3.71 0.56 0.00 -1.26 -4.87 105.19 100.37 1hfu n GLY 318 Ca 0.11 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 1hfu n GLY 318 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hfu s ILE 319 N -0.93 2.76 -1.39 -0.61 1.01 -1.26 -4.87 121.20 115.91 1hfu s ILE 319 Ca 0.00 0.47 -0.09 0.00 0.00 0.00 0.00 60.65 61.03 1hfu s ILE 319 Cb 0.00 -3.30 -0.09 0.00 0.01 0.00 0.00 42.46 39.07 1hfu s ILE 319 CO 0.00 0.03 2.84 -0.81 0.00 0.00 0.00 174.94 176.99 1hfu n PRO 320 N 4.44 3.28 -3.73 2.79 -0.04 -1.26 -4.67 135.00 135.81 1hfu n PRO 320 Ca 0.14 -1.97 -0.13 0.00 -0.04 0.00 0.00 63.50 61.50 1hfu n PRO 320 Cb 0.39 -2.68 -0.14 0.00 -0.04 0.00 0.00 33.50 31.04 1hfu n PRO 320 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1hfu s THR 321 N 2.33 -0.08 0.18 0.52 2.01 -1.26 -4.98 115.64 114.36 1hfu s THR 321 Ca 0.64 0.18 -0.33 0.00 0.31 0.00 0.00 61.69 62.49 1hfu s THR 321 Cb 0.17 -0.31 -0.14 0.00 0.01 0.00 0.00 72.50 72.23 1hfu s THR 321 CO -0.05 0.08 1.49 -2.65 -0.69 0.00 0.00 174.62 172.80 1hfu n PRO 322 N 4.35 2.00 -1.01 4.92 -0.02 -1.26 -1.18 135.00 142.80 1hfu n PRO 322 Ca -0.24 0.72 -0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1hfu n PRO 322 Cb 0.52 -2.43 -0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1hfu n PRO 322 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hfu n GLY 323 N 2.91 0.47 1.11 -1.23 0.00 -1.26 -4.90 105.19 102.29 1hfu n GLY 323 Ca 0.15 -0.19 0.08 0.00 0.00 0.00 0.00 46.02 46.06 1hfu n GLY 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hfu n ALA 324 N 1.01 3.19 -1.43 4.61 0.00 -0.33 -4.92 120.51 122.64 1hfu n ALA 324 Ca -0.00 -2.23 -0.29 0.00 0.00 0.00 0.00 53.44 50.92 1hfu n ALA 324 Cb 0.04 -0.80 0.17 0.00 0.00 0.00 0.00 19.45 18.86 1hfu n ALA 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hfu s ALA 325 N -2.81 1.44 0.17 0.00 0.00 -1.26 -4.24 121.76 115.05 1hfu s ALA 325 Ca 0.45 -0.69 -0.09 0.00 0.00 0.00 0.00 51.96 51.63 1hfu s ALA 325 Cb 0.36 -2.98 0.03 0.00 0.00 0.00 0.00 23.12 20.54 1hfu s ALA 325 CO 0.10 -2.69 1.53 -0.44 0.00 0.00 0.00 175.76 174.26 1hfu h ASP 326 N -1.83 0.94 -3.15 0.00 3.32 -1.57 -3.42 116.42 110.71 1hfu h ASP 326 Ca -0.49 -0.39 -0.61 0.00 0.02 0.00 0.00 57.03 55.56 1hfu h ASP 326 Cb 1.31 -0.26 -0.36 0.00 0.22 0.00 0.00 39.33 40.24 1hfu h ASP 326 CO 0.52 1.17 -0.83 -0.69 -1.72 0.00 0.00 179.24 177.69 1hfu s VAL 327 N -4.50 1.62 -0.29 -1.35 1.01 -0.45 -4.98 120.40 111.47 1hfu s VAL 327 Ca -0.10 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.20 1hfu s VAL 327 Cb 0.12 -1.54 0.08 0.00 0.00 0.00 0.00 36.38 35.04 1hfu s VAL 327 CO 0.87 0.43 -0.05 0.20 0.00 0.00 0.00 175.10 176.55 1hfu s ASN 328 N 1.46 4.55 -0.10 3.32 0.01 -1.26 -0.79 114.94 122.12 1hfu s ASN 328 Ca 0.04 -1.68 0.02 0.00 -0.71 0.00 0.00 52.86 50.54 1hfu s ASN 328 Cb -0.13 -1.56 -0.01 0.00 0.41 0.00 0.00 41.25 39.96 1hfu s ASN 328 CO -0.11 -0.26 -0.19 -0.76 -1.51 0.00 0.00 177.10 174.27 1hfu s LEU 329 N 1.04 2.41 -0.17 0.60 1.43 -0.05 -5.00 118.68 118.94 1hfu s LEU 329 Ca -0.01 -0.43 -0.02 0.00 -1.03 0.00 0.00 54.13 52.64 1hfu s LEU 329 Cb -0.20 -1.50 -0.01 0.00 0.03 0.00 0.00 46.19 44.51 1hfu s LEU 329 CO -0.06 0.19 -0.08 -0.60 0.23 0.00 0.00 176.35 176.02 1hfu s ARG 330 N 0.20 3.41 -0.16 1.70 3.52 -1.26 -0.80 118.95 125.56 1hfu s ARG 330 Ca -0.11 -0.64 -0.05 0.00 -0.13 0.00 0.00 55.73 54.80 1hfu s ARG 330 Cb -0.16 -2.83 -0.03 0.00 -1.56 0.00 0.00 34.95 30.36 1hfu s ARG 330 CO 0.06 0.03 -0.00 -0.06 -0.81 0.00 0.00 175.30 174.52 1hfu s PHE 331 N 0.87 3.10 -0.41 5.12 0.08 -0.38 -4.97 117.98 121.39 1hfu s PHE 331 Ca -0.02 -0.16 -0.15 0.00 0.12 0.00 0.00 56.93 56.72 1hfu s PHE 331 Cb -0.15 -1.99 0.02 0.00 -0.57 0.00 0.00 43.02 40.33 1hfu s PHE 331 CO 0.01 0.04 0.29 -1.14 -0.10 0.00 0.00 175.22 174.32 1hfu s GLN 332 N 0.32 2.96 0.31 0.44 0.74 -1.26 -4.14 119.66 119.04 1hfu s GLN 332 Ca -0.01 -1.02 -0.19 0.00 0.05 0.00 0.00 55.36 54.18 1hfu s GLN 332 Cb -0.13 -3.96 -0.09 0.00 1.10 0.00 0.00 33.01 29.92 1hfu s GLN 332 CO 0.02 -0.75 0.80 -0.51 -0.55 0.00 0.00 175.29 174.31 1hfu s LEU 333 N 1.67 4.17 0.23 3.68 1.43 -1.26 -0.52 118.68 128.08 1hfu s LEU 333 Ca 0.05 1.49 -0.06 0.00 -1.03 0.00 0.00 54.13 54.57 1hfu s LEU 333 Cb -0.19 -4.01 -0.02 0.00 0.03 0.00 0.00 46.19 42.00 1hfu s LEU 333 CO 0.10 -0.14 0.29 -0.83 0.23 0.00 0.00 176.35 176.00 1hfu s GLY 334 N -1.96 1.07 -0.24 -3.19 0.00 0.08 -4.76 107.32 98.32 1hfu s GLY 334 Ca 0.52 -1.35 -0.03 0.00 0.00 0.00 0.00 44.72 43.86 1hfu s GLY 334 CO 0.19 -1.06 0.26 -0.12 0.00 0.00 0.00 173.10 172.36 1hfu s PHE 335 N -4.04 -0.36 -0.12 1.90 5.36 -1.26 -0.28 117.98 119.18 1hfu s PHE 335 Ca 0.32 0.12 -0.10 0.00 -0.96 0.00 0.00 56.93 56.31 1hfu s PHE 335 Cb 0.03 -0.37 0.03 0.00 -0.34 0.00 0.00 43.02 42.37 1hfu s PHE 335 CO 0.11 -0.72 0.31 0.45 -1.46 0.00 0.00 175.22 173.92 1hfu s SER 336 N 2.35 -0.33 -1.14 6.13 0.15 -0.39 -4.91 113.70 115.56 1hfu s SER 336 Ca 0.08 0.63 -0.07 0.00 0.70 0.00 0.00 55.95 57.29 1hfu s SER 336 Cb -0.15 0.62 0.01 0.00 -1.71 0.00 0.00 66.02 64.78 1hfu s SER 336 CO -0.20 -0.12 0.95 0.61 1.20 0.00 0.00 173.24 175.69 1hfu n GLY 337 N 3.16 -0.29 3.12 9.45 0.00 -1.26 -2.72 105.19 116.64 1hfu n GLY 337 Ca -0.15 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1hfu n GLY 337 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hfu n GLY 338 N -1.73 1.16 3.16 -0.02 0.00 -1.26 -5.01 105.19 101.49 1hfu n GLY 338 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1hfu n GLY 338 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hfu s ARG 339 N -0.09 0.88 0.42 1.61 0.52 -1.10 -5.04 118.95 116.15 1hfu s ARG 339 Ca 0.00 -0.86 -0.22 0.00 -0.52 0.00 0.00 55.73 54.13 1hfu s ARG 339 Cb 0.00 -0.89 -0.10 0.00 0.52 0.00 0.00 34.95 34.48 1hfu s ARG 339 CO 0.00 0.21 0.99 -0.06 0.02 0.00 0.00 175.30 176.46 1hfu s PHE 340 N -1.06 3.28 0.07 -0.53 0.08 0.65 -1.26 117.98 119.19 1hfu s PHE 340 Ca -0.00 1.63 0.03 0.00 0.12 0.00 0.00 56.93 58.71 1hfu s PHE 340 Cb -0.09 -2.97 -0.03 0.00 -0.57 0.00 0.00 43.02 39.36 1hfu s PHE 340 CO 0.02 -0.34 -0.08 0.95 -0.10 0.00 0.00 175.22 175.66 1hfu s THR 341 N -1.95 0.68 -0.16 0.64 -4.23 0.62 -4.09 115.64 107.15 1hfu s THR 341 Ca 0.61 -1.38 0.01 0.00 -1.18 0.00 0.00 61.69 59.74 1hfu s THR 341 Cb -0.15 -1.01 0.02 0.00 1.34 0.00 0.00 72.50 72.70 1hfu s THR 341 CO 0.19 -0.51 -0.17 -0.63 -0.54 0.00 0.00 174.62 172.96 1hfu s ILE 342 N -2.07 1.79 -1.57 2.99 1.01 -0.35 -0.74 121.20 122.26 1hfu s ILE 342 Ca -0.02 -0.77 -0.14 0.00 0.00 0.00 0.00 60.65 59.71 1hfu s ILE 342 Cb -0.05 -1.64 0.10 0.00 0.01 0.00 0.00 42.46 40.88 1hfu s ILE 342 CO -0.01 0.49 0.89 0.59 0.00 0.00 0.00 174.94 176.91 1hfu n ASN 343 N 4.62 -4.03 0.00 3.58 4.13 0.32 -1.71 115.26 122.16 1hfu n ASN 343 Ca -0.19 -0.86 0.00 0.00 1.68 0.00 0.00 54.58 55.21 1hfu n ASN 343 Cb 0.50 -3.52 0.00 0.00 -1.54 0.00 0.00 39.78 35.22 1hfu n ASN 343 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1hfu n GLY 344 N -1.61 1.62 3.21 7.41 0.00 -1.26 -5.03 105.19 109.53 1hfu n GLY 344 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1hfu n GLY 344 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hfu s THR 345 N -3.21 2.39 -0.10 2.61 2.01 -0.70 -4.97 115.64 113.68 1hfu s THR 345 Ca 0.00 -0.86 -0.28 0.00 0.31 0.00 0.00 61.69 60.86 1hfu s THR 345 Cb 0.00 -2.00 -0.02 0.00 0.01 0.00 0.00 72.50 70.50 1hfu s THR 345 CO 0.00 0.53 0.94 0.00 -0.69 0.00 0.00 174.62 175.40 1hfu s ALA 346 N 0.93 3.39 0.24 7.40 0.00 -1.26 -1.21 121.76 131.25 1hfu s ALA 346 Ca -0.04 0.31 -0.31 0.00 0.00 0.00 0.00 51.96 51.93 1hfu s ALA 346 Cb -0.15 -3.34 -0.11 0.00 0.00 0.00 0.00 23.12 19.52 1hfu s ALA 346 CO -0.03 -0.52 1.55 -0.47 0.00 0.00 0.00 175.76 176.29 1hfu s TYR 347 N 1.80 2.92 -0.03 0.00 5.04 -0.38 -4.96 117.35 121.74 1hfu s TYR 347 Ca 0.46 0.78 -0.01 0.00 -2.44 0.00 0.00 57.07 55.87 1hfu s TYR 347 Cb -0.18 -3.97 0.03 0.00 0.35 0.00 0.00 41.96 38.19 1hfu s TYR 347 CO 0.18 -3.33 0.04 -1.21 -1.34 0.00 0.00 175.55 169.89 1hfu s GLU 348 N 0.04 -0.05 0.27 4.97 2.02 -1.26 -4.20 118.70 120.49 1hfu s GLU 348 Ca 0.64 0.25 -0.30 0.00 0.02 0.00 0.00 54.97 55.58 1hfu s GLU 348 Cb -0.45 -0.33 -0.11 0.00 0.10 0.00 0.00 34.13 33.34 1hfu s GLU 348 CO 0.41 -0.22 1.58 0.45 0.02 0.00 0.00 175.26 177.51 1hfu s SER 349 N 1.40 6.43 0.67 -0.19 0.15 -1.26 -4.63 113.70 116.27 1hfu s SER 349 Ca -0.05 2.87 -0.11 0.00 0.70 0.00 0.00 55.95 59.36 1hfu s SER 349 Cb -0.13 -2.63 -0.01 0.00 -1.71 0.00 0.00 66.02 61.55 1hfu s SER 349 CO -0.03 -0.88 1.05 -2.16 1.20 0.00 0.00 173.24 172.42 1hfu s PRO 350 N -0.16 3.16 0.30 5.44 0.04 -1.26 -4.98 135.00 137.53 1hfu s PRO 350 Ca 0.65 0.82 0.12 0.00 0.04 0.00 0.00 61.00 62.63 1hfu s PRO 350 Cb -0.47 -2.02 0.43 0.00 0.04 0.00 0.00 34.50 32.48 1hfu s PRO 350 CO 0.44 -0.91 1.64 0.66 0.04 0.00 0.00 177.00 178.87 1hfu h SER 351 N -0.57 0.00 -3.33 6.66 4.64 -1.94 -3.41 113.55 115.60 1hfu h SER 351 Ca -0.44 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.21 1hfu h SER 351 Cb 1.21 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 63.01 1hfu h SER 351 CO 0.59 0.56 -0.80 -0.69 -0.87 0.00 0.00 176.83 175.62 1hfu s VAL 352 N -3.62 2.72 0.45 0.95 1.01 -1.26 -5.07 120.40 115.58 1hfu s VAL 352 Ca -0.01 -0.78 -0.25 0.00 0.00 0.00 0.00 61.98 60.94 1hfu s VAL 352 Cb 0.12 -2.11 -0.08 0.00 0.00 0.00 0.00 36.38 34.31 1hfu s VAL 352 CO 0.74 0.54 1.37 -2.16 0.00 0.00 0.00 175.10 175.59 1hfu s PRO 353 N 0.34 3.70 0.23 2.72 0.04 -1.26 -4.72 135.00 136.05 1hfu s PRO 353 Ca -0.14 2.30 -0.09 0.00 0.04 0.00 0.00 61.00 63.10 1hfu s PRO 353 Cb -0.17 -2.62 0.36 0.00 0.04 0.00 0.00 34.50 32.11 1hfu s PRO 353 CO 0.07 -0.76 1.63 1.15 0.04 0.00 0.00 177.00 179.13 1hfu h THR 354 N 2.22 0.34 -0.68 1.26 2.02 -1.13 -0.02 112.91 116.93 1hfu h THR 354 Ca -0.50 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 66.65 1hfu h THR 354 Cb 1.26 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 1hfu h THR 354 CO 0.61 0.01 0.39 0.25 0.37 0.00 0.00 175.52 177.15 1hfu h LEU 355 N 0.06 0.82 -0.66 2.58 5.85 -1.30 -1.39 115.31 121.27 1hfu h LEU 355 Ca 0.37 -0.05 -0.14 0.00 0.84 0.00 0.00 57.88 58.90 1hfu h LEU 355 Cb 0.62 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1hfu h LEU 355 CO -0.67 0.65 -0.45 0.25 -0.34 0.00 0.00 178.44 177.88 1hfu h LEU 356 N 0.94 0.54 -0.84 2.25 5.85 -1.30 -0.31 115.31 122.45 1hfu h LEU 356 Ca 0.24 -0.26 0.07 0.00 0.84 0.00 0.00 57.88 58.77 1hfu h LEU 356 Cb -0.01 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 1hfu h LEU 356 CO -0.04 0.92 0.52 1.56 -0.34 0.00 0.00 178.44 181.05 1hfu h GLN 357 N 0.41 0.91 -0.12 1.25 4.20 -0.62 -0.53 115.11 120.61 1hfu h GLN 357 Ca 0.03 -0.05 -0.22 0.00 0.06 0.00 0.00 58.65 58.46 1hfu h GLN 357 Cb 0.95 -0.20 0.01 0.00 0.30 0.00 0.00 27.48 28.54 1hfu h GLN 357 CO 0.08 0.60 -0.79 0.82 -0.67 0.00 0.00 178.83 178.88 1hfu h ILE 358 N 0.93 1.29 0.00 2.54 2.04 -0.99 -2.41 117.51 120.92 1hfu h ILE 358 Ca 0.37 -2.00 -0.01 0.00 1.00 0.00 0.00 64.86 64.22 1hfu h ILE 358 Cb 0.19 2.10 -0.00 0.00 -0.74 0.00 0.00 36.82 38.37 1hfu h ILE 358 CO -0.18 0.63 -0.06 0.24 0.00 0.00 0.00 178.15 178.78 1hfu h MET 359 N 0.45 0.00 0.00 2.37 2.86 -0.74 -2.23 114.93 117.63 1hfu h MET 359 Ca -0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1hfu h MET 359 Cb 1.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.09 1hfu h MET 359 CO 0.16 0.06 -0.28 0.77 1.06 0.00 0.00 176.91 178.68 1hfu h SER 360 N 0.00 0.00 0.00 1.22 0.02 -1.01 -3.47 113.55 110.31 1hfu h SER 360 Ca -0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1hfu h SER 360 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1hfu h SER 360 CO 0.01 0.04 0.00 0.61 -1.14 0.00 0.00 176.83 176.35 1hfu n GLY 361 N 1.29 -0.43 3.69 -3.77 0.00 -0.84 -5.09 105.19 100.04 1hfu n GLY 361 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1hfu n GLY 361 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hfu s ALA 362 N 0.00 3.71 -0.12 4.61 0.00 -0.92 -4.88 121.76 124.16 1hfu s ALA 362 Ca 0.00 1.32 0.16 0.00 0.00 0.00 0.00 51.96 53.43 1hfu s ALA 362 Cb 0.00 -3.74 -0.24 0.00 0.00 0.00 0.00 23.12 19.14 1hfu s ALA 362 CO 0.00 -1.21 0.39 1.04 0.00 0.00 0.00 175.76 175.99 1hfu n GLN 363 N 5.84 0.66 -4.24 0.00 6.02 -1.26 -4.73 117.38 119.67 1hfu n GLN 363 Ca 0.17 0.14 -0.14 0.00 -0.01 0.00 0.00 57.00 57.16 1hfu n GLN 363 Cb 0.40 -1.66 -0.10 0.00 1.02 0.00 0.00 30.24 29.90 1hfu n GLN 363 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1hfu s SER 364 N -5.75 0.57 0.51 1.08 1.04 -1.26 -4.79 113.70 105.10 1hfu s SER 364 Ca -0.07 -1.41 0.23 0.00 0.48 0.00 0.00 55.95 55.19 1hfu s SER 364 Cb 0.07 0.32 1.36 0.00 0.10 0.00 0.00 66.02 67.87 1hfu s SER 364 CO 0.83 -0.81 2.08 0.00 0.98 0.00 0.00 173.24 176.31 1hfu h ALA 365 N 2.52 1.47 0.00 5.32 0.00 -1.94 -1.58 119.26 125.05 1hfu h ALA 365 Ca -0.36 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 1hfu h ALA 365 Cb 1.25 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1hfu h ALA 365 CO 0.55 0.15 -0.15 -0.91 0.00 0.00 0.00 179.25 178.89 1hfu h ASN 366 N 0.00 0.00 0.67 0.00 2.35 -1.96 -2.02 115.58 114.63 1hfu h ASN 366 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1hfu h ASN 366 Cb 0.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.64 1hfu h ASN 366 CO 0.02 0.15 -0.24 0.47 -1.65 0.00 0.00 177.43 176.18 1hfu n ASP 367 N -3.96 0.31 -4.88 5.81 8.00 -0.59 -4.93 116.55 116.30 1hfu n ASP 367 Ca -0.02 -0.01 -0.33 0.00 0.71 0.00 0.00 54.79 55.14 1hfu n ASP 367 Cb 0.24 -0.10 -0.05 0.00 -0.02 0.00 0.00 41.12 41.19 1hfu n ASP 367 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1hfu s LEU 368 N -2.91 4.29 0.12 0.64 1.43 -0.76 -4.96 118.68 116.53 1hfu s LEU 368 Ca 0.15 0.70 0.07 0.00 -1.03 0.00 0.00 54.13 54.02 1hfu s LEU 368 Cb 0.19 -3.21 -0.04 0.00 0.03 0.00 0.00 46.19 43.15 1hfu s LEU 368 CO 0.59 0.09 -0.08 -0.76 0.23 0.00 0.00 176.35 176.43 1hfu s LEU 369 N -2.37 3.12 0.27 1.79 1.43 -1.26 -4.08 118.68 117.56 1hfu s LEU 369 Ca 0.38 -0.38 -0.24 0.00 -1.03 0.00 0.00 54.13 52.87 1hfu s LEU 369 Cb -0.13 -1.88 -0.09 0.00 0.03 0.00 0.00 46.19 44.13 1hfu s LEU 369 CO 0.22 0.16 0.84 -2.16 0.23 0.00 0.00 176.35 175.64 1hfu s PRO 370 N -2.37 4.46 0.20 1.29 0.04 -1.26 -4.77 135.00 132.59 1hfu s PRO 370 Ca 0.23 1.14 -0.32 0.00 0.04 0.00 0.00 61.00 62.08 1hfu s PRO 370 Cb -0.11 -2.89 -0.14 0.00 0.04 0.00 0.00 34.50 31.40 1hfu s PRO 370 CO 0.15 0.36 1.34 0.00 0.04 0.00 0.00 177.00 178.89 1hfu n ALA 371 N 0.75 0.42 -0.31 8.56 0.00 -1.26 -1.99 120.51 126.69 1hfu n ALA 371 Ca -0.01 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1hfu n ALA 371 Cb 0.50 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.76 1hfu n ALA 371 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hfu n GLY 372 N 2.23 1.70 0.06 0.00 0.00 -1.26 -4.82 105.19 103.10 1hfu n GLY 372 Ca 0.13 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.18 1hfu n GLY 372 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1hfu n SER 373 N 0.00 0.55 -4.51 1.61 7.64 -0.84 -4.73 113.62 113.34 1hfu n SER 373 Ca 0.00 -0.77 -0.34 0.00 1.01 0.00 0.00 58.87 58.77 1hfu n SER 373 Cb 0.00 0.79 -0.12 0.00 -1.01 0.00 0.00 64.21 63.87 1hfu n SER 373 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1hfu s VAL 374 N -1.33 3.97 -0.18 0.44 1.01 -1.24 -0.83 120.40 122.23 1hfu s VAL 374 Ca 0.03 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.70 1hfu s VAL 374 Cb 0.05 -2.75 0.02 0.00 0.00 0.00 0.00 36.38 33.70 1hfu s VAL 374 CO 0.21 0.49 -0.19 -0.31 0.00 0.00 0.00 175.10 175.29 1hfu s TYR 375 N 0.41 2.79 0.35 5.22 1.51 0.04 -4.95 117.35 122.72 1hfu s TYR 375 Ca -0.03 -1.68 -0.26 0.00 -1.01 0.00 0.00 57.07 54.09 1hfu s TYR 375 Cb -0.14 -1.90 -0.09 0.00 -0.11 0.00 0.00 41.96 39.71 1hfu s TYR 375 CO 0.03 -0.81 1.02 -2.00 -1.11 0.00 0.00 175.55 172.68 1hfu s GLU 376 N 1.29 4.39 0.05 -0.62 2.12 -1.26 -1.15 118.70 123.53 1hfu s GLU 376 Ca 0.04 1.50 0.07 0.00 0.36 0.00 0.00 54.97 56.94 1hfu s GLU 376 Cb -0.14 -2.75 -0.03 0.00 0.26 0.00 0.00 34.13 31.48 1hfu s GLU 376 CO -0.12 0.07 -0.19 -0.51 -0.54 0.00 0.00 175.26 173.96 1hfu s LEU 377 N -2.22 2.19 0.84 2.70 1.43 -0.10 -4.86 118.68 118.65 1hfu s LEU 377 Ca 0.53 -0.54 -0.12 0.00 -1.03 0.00 0.00 54.13 52.96 1hfu s LEU 377 Cb -0.23 -0.88 0.10 0.00 0.03 0.00 0.00 46.19 45.21 1hfu s LEU 377 CO 0.29 0.11 1.18 -2.16 0.23 0.00 0.00 176.35 176.00 1hfu s PRO 378 N -1.31 1.74 0.09 1.29 0.04 -1.26 -1.10 135.00 134.49 1hfu s PRO 378 Ca 0.06 0.13 -0.26 0.00 0.04 0.00 0.00 61.00 60.97 1hfu s PRO 378 Cb -0.09 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.47 1hfu s PRO 378 CO 0.02 -1.76 0.80 0.50 0.04 0.00 0.00 177.00 176.61 1hfu s ARG 379 N -5.53 4.55 -1.22 4.56 3.52 -1.26 -4.40 118.95 119.17 1hfu s ARG 379 Ca 0.63 1.16 -0.02 0.00 -0.13 0.00 0.00 55.73 57.36 1hfu s ARG 379 Cb -0.12 -3.34 -0.01 0.00 -1.56 0.00 0.00 34.95 29.92 1hfu s ARG 379 CO 0.50 0.34 0.84 -1.71 -0.81 0.00 0.00 175.30 174.47 1hfu n ASN 380 N 2.49 -2.48 -4.34 -2.12 4.05 -0.28 -4.96 115.26 107.62 1hfu n ASN 380 Ca -0.02 -0.75 -0.18 0.00 0.45 0.00 0.00 54.58 54.08 1hfu n ASN 380 Cb 0.50 -4.55 -0.10 0.00 1.23 0.00 0.00 39.78 36.85 1hfu n ASN 380 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1hfu s GLN 381 N -5.54 1.33 -0.23 1.20 -1.52 -1.26 -4.89 119.66 108.75 1hfu s GLN 381 Ca 0.09 -1.64 -0.15 0.00 -1.95 0.00 0.00 55.36 51.71 1hfu s GLN 381 Cb -0.02 -0.85 -0.04 0.00 -0.22 0.00 0.00 33.01 31.88 1hfu s GLN 381 CO 0.78 0.02 0.35 0.08 -0.25 0.00 0.00 175.29 176.27 1hfu s VAL 382 N -3.22 5.22 -0.10 1.09 1.01 -1.26 -1.33 120.40 121.81 1hfu s VAL 382 Ca 0.25 0.58 -0.02 0.00 0.00 0.00 0.00 61.98 62.80 1hfu s VAL 382 Cb 0.03 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 1hfu s VAL 382 CO 0.07 0.24 -0.03 -0.69 0.00 0.00 0.00 175.10 174.70 1hfu s VAL 383 N 1.48 4.02 -0.10 2.92 1.01 -0.13 -1.28 120.40 128.32 1hfu s VAL 383 Ca 0.16 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.83 1hfu s VAL 383 Cb -0.15 -2.70 0.01 0.00 0.00 0.00 0.00 36.38 33.54 1hfu s VAL 383 CO 0.08 0.57 -0.20 -0.70 0.00 0.00 0.00 175.10 174.84 1hfu s GLU 384 N -0.45 2.66 -0.09 2.72 2.12 0.03 -2.02 118.70 123.68 1hfu s GLU 384 Ca 0.07 -0.74 0.03 0.00 0.36 0.00 0.00 54.97 54.70 1hfu s GLU 384 Cb -0.12 -2.10 -0.01 0.00 0.26 0.00 0.00 34.13 32.16 1hfu s GLU 384 CO 0.02 0.07 -0.20 -0.51 -0.54 0.00 0.00 175.26 174.10 1hfu s LEU 385 N 0.60 2.32 -0.17 2.70 1.43 -0.00 -0.87 118.68 124.68 1hfu s LEU 385 Ca -0.14 -0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 52.50 1hfu s LEU 385 Cb -0.17 -1.47 -0.00 0.00 0.03 0.00 0.00 46.19 44.58 1hfu s LEU 385 CO 0.04 0.20 -0.13 -0.69 0.23 0.00 0.00 176.35 176.00 1hfu s VAL 386 N 0.11 2.77 -0.51 -1.59 1.01 0.02 -1.03 120.40 121.20 1hfu s VAL 386 Ca -0.10 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.20 1hfu s VAL 386 Cb -0.16 -2.20 0.15 0.00 0.00 0.00 0.00 36.38 34.18 1hfu s VAL 386 CO 0.06 0.50 0.34 -0.69 0.00 0.00 0.00 175.10 175.30 1hfu s VAL 387 N 1.04 1.57 0.35 2.92 1.01 -0.66 -1.25 120.40 125.38 1hfu s VAL 387 Ca -0.01 -3.09 -0.28 0.00 0.00 0.00 0.00 61.98 58.60 1hfu s VAL 387 Cb -0.15 -2.07 -0.11 0.00 0.00 0.00 0.00 36.38 34.05 1hfu s VAL 387 CO -0.03 -1.01 1.47 -2.65 0.00 0.00 0.00 175.10 172.87 1hfu n PRO 388 N 2.91 2.56 -1.99 2.72 -0.02 -1.26 -4.18 135.00 135.73 1hfu n PRO 388 Ca 0.17 0.90 -0.29 0.00 -2.02 0.00 0.00 63.50 62.26 1hfu n PRO 388 Cb 0.38 -2.61 0.13 0.00 -0.02 0.00 0.00 33.50 31.38 1hfu n PRO 388 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hfu s ALA 389 N -0.88 2.59 0.00 3.55 0.00 -1.07 -4.70 121.76 121.25 1hfu s ALA 389 Ca 0.56 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.53 1hfu s ALA 389 Cb -0.50 -2.77 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1hfu s ALA 389 CO 0.60 -1.96 0.00 0.41 0.00 0.00 0.00 175.76 174.82 1hfu n GLY 390 N -3.44 4.46 3.76 0.00 0.00 -1.26 -4.36 105.19 104.36 1hfu n GLY 390 Ca 0.12 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 1hfu n GLY 390 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1hfu n VAL 391 N 0.00 2.15 -0.72 1.61 3.14 -1.26 -4.87 118.33 118.37 1hfu n VAL 391 Ca 0.00 -0.50 -0.31 0.00 -2.96 0.00 0.00 64.34 60.57 1hfu n VAL 391 Cb 0.00 -1.91 0.16 0.00 -1.06 0.00 0.00 33.84 31.04 1hfu n VAL 391 CO 0.00 0.00 0.00 -1.48 -6.46 0.00 0.00 176.83 168.89 1hfu s LEU 392 N -2.06 2.87 0.00 6.55 0.05 -1.26 -3.76 118.68 121.07 1hfu s LEU 392 Ca 0.55 2.21 0.00 0.00 0.05 0.00 0.00 54.13 56.94 1hfu s LEU 392 Cb -0.48 -4.57 0.00 0.00 -2.05 0.00 0.00 46.19 39.09 1hfu s LEU 392 CO 0.63 -3.09 0.00 0.61 -0.55 0.00 0.00 176.35 173.95 1hfu n GLY 393 N 0.25 0.73 3.37 -3.48 0.00 -1.26 -5.04 105.19 99.76 1hfu n GLY 393 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 1hfu n GLY 393 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hfu n GLY 394 N -2.40 -2.29 3.74 -0.02 0.00 -1.25 -4.65 105.19 98.32 1hfu n GLY 394 Ca 0.00 -1.57 -0.41 0.00 0.00 0.00 0.00 46.02 44.04 1hfu n GLY 394 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1hfu s PRO 395 N -5.45 4.59 -0.23 1.61 0.04 -1.26 -5.14 135.00 129.16 1hfu s PRO 395 Ca 0.67 1.77 -0.16 0.00 0.04 0.00 0.00 61.00 63.32 1hfu s PRO 395 Cb -0.05 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 1hfu s PRO 395 CO 0.50 0.09 0.41 -1.01 0.04 0.00 0.00 177.00 177.03 1hfu s HIS 396 N -0.47 3.31 -0.50 0.56 3.76 -1.26 -4.90 115.29 115.79 1hfu s HIS 396 Ca 0.49 0.56 -0.18 0.00 -0.15 0.00 0.00 55.06 55.77 1hfu s HIS 396 Cb -0.31 -2.58 0.07 0.00 1.11 0.00 0.00 32.58 30.87 1hfu s HIS 396 CO 0.37 -0.13 0.56 -2.14 -0.85 0.00 0.00 174.74 172.55 1hfu s PRO 397 N 1.74 3.07 0.15 8.40 0.02 -1.26 -1.22 135.00 145.90 1hfu s PRO 397 Ca 0.18 -1.08 -0.16 0.00 0.02 0.00 0.00 61.00 59.97 1hfu s PRO 397 Cb -0.15 -4.12 -0.07 0.00 0.02 0.00 0.00 34.50 30.17 1hfu s PRO 397 CO 0.09 -1.19 0.58 -0.06 -0.33 0.00 0.00 177.00 176.10 1hfu s PHE 398 N 2.31 3.65 -0.03 6.54 0.40 -0.31 -0.69 117.98 129.86 1hfu s PHE 398 Ca 0.11 1.16 0.06 0.00 -0.60 0.00 0.00 56.93 57.66 1hfu s PHE 398 Cb -0.21 -2.44 -0.01 0.00 0.51 0.00 0.00 43.02 40.87 1hfu s PHE 398 CO 0.10 0.44 -0.20 -3.38 0.70 0.00 0.00 175.22 172.88 1hfu s HIS 399 N -1.41 1.86 -0.20 0.36 -3.43 0.55 -0.79 115.29 112.23 1hfu s HIS 399 Ca 0.37 -0.42 -0.05 0.00 -0.80 0.00 0.00 55.06 54.16 1hfu s HIS 399 Cb -0.16 -1.21 -0.03 0.00 -1.43 0.00 0.00 32.58 29.75 1hfu s HIS 399 CO 0.19 -0.09 0.00 -1.17 -2.00 0.00 0.00 174.74 171.68 1hfu s LEU 400 N -0.31 3.30 0.56 5.38 2.96 -1.04 -2.03 118.68 127.50 1hfu s LEU 400 Ca 0.04 -0.18 -0.12 0.00 -0.22 0.00 0.00 54.13 53.65 1hfu s LEU 400 Cb -0.09 -1.84 -0.05 0.00 0.50 0.00 0.00 46.19 44.71 1hfu s LEU 400 CO 0.00 0.07 0.97 -1.00 -1.32 0.00 0.00 176.35 175.08 1hfu s HIS 401 N 0.94 3.56 0.00 5.38 3.76 -0.38 -4.15 115.29 124.39 1hfu s HIS 401 Ca 0.01 1.28 0.00 0.00 -0.15 0.00 0.00 55.06 56.21 1hfu s HIS 401 Cb -0.14 -2.68 0.00 0.00 1.11 0.00 0.00 32.58 30.87 1hfu s HIS 401 CO 0.02 -0.50 0.00 0.41 -0.85 0.00 0.00 174.74 173.81 1hfu n GLY 402 N -2.22 2.88 3.30 -2.22 0.00 -1.26 -4.72 105.19 100.95 1hfu n GLY 402 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 1hfu n GLY 402 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1hfu s HIS 403 N -2.06 -0.22 0.23 1.61 3.76 -1.26 -4.72 115.29 112.63 1hfu s HIS 403 Ca 0.00 0.15 -0.00 0.00 -0.15 0.00 0.00 55.06 55.06 1hfu s HIS 403 Cb 0.00 0.19 -0.04 0.00 1.11 0.00 0.00 32.58 33.84 1hfu s HIS 403 CO 0.00 -0.56 0.41 0.00 -0.85 0.00 0.00 174.74 173.75 1hfu s ALA 404 N -2.54 3.81 0.16 -1.40 0.00 -1.26 -4.78 121.76 115.75 1hfu s ALA 404 Ca -0.05 -0.86 0.05 0.00 0.00 0.00 0.00 51.96 51.10 1hfu s ALA 404 Cb -0.01 -2.00 -0.04 0.00 0.00 0.00 0.00 23.12 21.07 1hfu s ALA 404 CO -0.03 0.35 -0.11 -0.59 0.00 0.00 0.00 175.76 175.39 1hfu s PHE 405 N -1.94 1.36 -0.06 0.00 -0.12 0.44 -4.81 117.98 112.85 1hfu s PHE 405 Ca 0.38 -0.73 -0.20 0.00 -0.05 0.00 0.00 56.93 56.33 1hfu s PHE 405 Cb -0.11 -0.68 -0.05 0.00 -0.63 0.00 0.00 43.02 41.56 1hfu s PHE 405 CO 0.30 0.13 0.56 -1.12 -0.05 0.00 0.00 175.22 175.04 1hfu s SER 406 N -3.20 6.85 -0.83 1.98 0.01 0.45 -1.21 113.70 117.75 1hfu s SER 406 Ca 0.18 1.02 -0.18 0.00 1.31 0.00 0.00 55.95 58.28 1hfu s SER 406 Cb 0.02 -2.34 0.14 0.00 0.21 0.00 0.00 66.02 64.06 1hfu s SER 406 CO 0.02 0.03 0.96 -0.69 0.41 0.00 0.00 173.24 173.97 1hfu s VAL 407 N 0.29 4.91 0.09 3.43 1.01 -0.07 -0.67 120.40 129.39 1hfu s VAL 407 Ca 0.30 -1.59 0.26 0.00 0.00 0.00 0.00 61.98 60.96 1hfu s VAL 407 Cb -0.17 -4.65 0.28 0.00 0.00 0.00 0.00 36.38 31.84 1hfu s VAL 407 CO 0.14 -1.33 1.85 -0.37 0.00 0.00 0.00 175.10 175.39 1hfu h VAL 408 N 5.62 0.38 -2.96 2.92 -1.51 -1.49 -3.40 116.25 115.80 1hfu h VAL 408 Ca 0.03 -0.97 -0.35 0.00 -1.23 0.00 0.00 66.70 64.18 1hfu h VAL 408 Cb 1.04 1.72 -0.38 0.00 -2.13 0.00 0.00 31.29 31.55 1hfu h VAL 408 CO 1.03 0.15 -0.68 -0.60 -1.23 0.00 0.00 177.57 176.25 1hfu s ARG 409 N -3.62 0.07 0.66 5.19 3.52 -0.97 -0.58 118.95 123.21 1hfu s ARG 409 Ca 0.01 0.28 -0.01 0.00 -0.13 0.00 0.00 55.73 55.88 1hfu s ARG 409 Cb 0.10 -0.94 0.08 0.00 -1.56 0.00 0.00 34.95 32.62 1hfu s ARG 409 CO 0.62 -0.49 0.92 -1.12 -0.81 0.00 0.00 175.30 174.41 1hfu s SER 410 N 2.25 4.76 0.47 -2.12 0.01 -1.26 -1.58 113.70 116.21 1hfu s SER 410 Ca 0.04 -0.08 -0.24 0.00 1.31 0.00 0.00 55.95 56.98 1hfu s SER 410 Cb -0.14 -0.54 -0.07 0.00 0.21 0.00 0.00 66.02 65.48 1hfu s SER 410 CO -0.08 -1.56 1.31 0.00 0.41 0.00 0.00 173.24 173.32 1hfu s ALA 411 N -3.03 3.07 0.00 1.44 0.00 -1.26 -2.57 121.76 119.41 1hfu s ALA 411 Ca 0.62 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.82 1hfu s ALA 411 Cb -0.08 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1hfu s ALA 411 CO 0.42 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.58 1hfu n GLY 412 N 0.62 0.90 3.34 0.00 0.00 -1.26 -4.90 105.19 103.89 1hfu n GLY 412 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1hfu n GLY 412 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1hfu s SER 413 N -2.89 3.13 0.00 1.61 0.15 -1.06 -4.99 113.70 109.64 1hfu s SER 413 Ca 0.00 -0.57 0.17 0.00 0.70 0.00 0.00 55.95 56.25 1hfu s SER 413 Cb 0.00 -0.30 0.05 0.00 -1.71 0.00 0.00 66.02 64.06 1hfu s SER 413 CO 0.00 0.27 0.94 -1.54 1.20 0.00 0.00 173.24 174.11 1hfu n SER 414 N 1.91 1.95 -4.92 5.45 3.41 -1.26 -4.73 113.62 115.44 1hfu n SER 414 Ca -0.17 -1.48 -0.27 0.00 -0.26 0.00 0.00 58.87 56.70 1hfu n SER 414 Cb 0.52 0.30 -0.04 0.00 -0.26 0.00 0.00 64.21 64.73 1hfu n SER 414 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1hfu s THR 415 N -1.77 5.19 0.16 6.66 -4.23 -1.26 -5.11 115.64 115.28 1hfu s THR 415 Ca 0.16 -0.71 0.07 0.00 -1.18 0.00 0.00 61.69 60.03 1hfu s THR 415 Cb 0.14 -3.65 -0.04 0.00 1.34 0.00 0.00 72.50 70.29 1hfu s THR 415 CO 0.35 -0.06 0.03 -0.31 -0.54 0.00 0.00 174.62 174.09 1hfu s TYR 416 N -1.71 2.93 -0.17 3.99 1.51 -1.26 -4.57 117.35 118.07 1hfu s TYR 416 Ca 0.34 -0.10 -0.03 0.00 -1.01 0.00 0.00 57.07 56.27 1hfu s TYR 416 Cb -0.11 -1.42 0.05 0.00 -0.11 0.00 0.00 41.96 40.37 1hfu s TYR 416 CO 0.28 0.52 0.03 1.21 -1.11 0.00 0.00 175.55 176.48 1hfu s ASN 417 N -2.93 2.64 0.00 2.29 3.84 0.25 -4.97 114.94 116.06 1hfu s ASN 417 Ca 0.28 -0.68 0.15 0.00 0.21 0.00 0.00 52.86 52.82 1hfu s ASN 417 Cb -0.10 -0.54 0.00 0.00 -0.55 0.00 0.00 41.25 40.07 1hfu s ASN 417 CO 0.20 -0.29 0.81 0.49 -2.79 0.00 0.00 177.10 175.52 1hfu n PHE 418 N 5.09 0.00 0.02 0.43 3.72 -1.26 -4.17 117.46 121.28 1hfu n PHE 418 Ca -0.08 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.11 1hfu n PHE 418 Cb 0.48 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.88 1hfu n PHE 418 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1hfu h VAL 419 N 1.71 1.20 -0.00 -4.37 2.07 -1.93 -0.82 116.25 114.10 1hfu h VAL 419 Ca 0.00 -2.44 -0.22 0.00 0.82 0.00 0.00 66.70 64.86 1hfu h VAL 419 Cb 0.51 2.88 -0.15 0.00 -1.52 0.00 0.00 31.29 33.00 1hfu h VAL 419 CO 0.00 0.70 -0.35 -0.46 0.02 0.00 0.00 177.57 177.48 1hfu n ASN 420 N -4.01 -1.87 -4.75 0.57 6.94 -1.25 -2.91 115.26 107.99 1hfu n ASN 420 Ca -0.21 -2.45 -0.32 0.00 -0.02 0.00 0.00 54.58 51.58 1hfu n ASN 420 Cb 0.87 1.00 0.09 0.00 -2.36 0.00 0.00 39.78 39.37 1hfu n ASN 420 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1hfu s PRO 421 N 0.18 2.24 0.43 -0.53 0.04 -1.25 -2.18 135.00 133.93 1hfu s PRO 421 Ca 0.21 1.39 -0.25 0.00 0.04 0.00 0.00 61.00 62.40 1hfu s PRO 421 Cb 0.40 -1.88 -0.08 0.00 0.04 0.00 0.00 34.50 32.98 1hfu s PRO 421 CO -0.09 -1.69 1.27 0.54 0.04 0.00 0.00 177.00 177.07 1hfu s VAL 422 N -2.53 2.70 -0.09 -0.36 0.11 -1.15 -3.03 120.40 116.05 1hfu s VAL 422 Ca 0.66 0.58 -0.01 0.00 -2.93 0.00 0.00 61.98 60.28 1hfu s VAL 422 Cb -0.21 -3.33 -0.03 0.00 -1.53 0.00 0.00 36.38 31.28 1hfu s VAL 422 CO 0.50 0.05 -0.01 -0.54 -3.33 0.00 0.00 175.10 171.77 1hfu s LYS 423 N -2.43 2.97 0.10 1.54 1.02 -1.26 -0.89 119.74 120.80 1hfu s LYS 423 Ca 0.60 -0.43 -0.04 0.00 0.02 0.00 0.00 55.97 56.12 1hfu s LYS 423 Cb -0.36 -2.77 0.01 0.00 -0.52 0.00 0.00 37.83 34.20 1hfu s LYS 423 CO 0.45 0.68 0.20 2.89 -0.92 0.00 0.00 175.35 178.65 1hfu n ARG 424 N 2.21 0.29 0.00 1.68 1.85 -0.35 -4.67 116.66 117.67 1hfu n ARG 424 Ca -0.18 -0.61 0.00 0.00 -1.00 0.00 0.00 57.85 56.05 1hfu n ARG 424 Cb 0.53 0.74 0.00 0.00 -1.05 0.00 0.00 32.46 32.69 1hfu n ARG 424 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1hfu n ASP 425 N -1.23 0.32 -3.89 2.89 5.68 -1.26 -0.42 116.55 118.64 1hfu n ASP 425 Ca -0.02 -0.76 -0.21 0.00 -0.50 0.00 0.00 54.79 53.30 1hfu n ASP 425 Cb 0.16 0.15 -0.17 0.00 -1.14 0.00 0.00 41.12 40.13 1hfu n ASP 425 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1hfu s VAL 426 N -0.15 0.59 -0.04 2.12 1.01 -1.26 -2.48 120.40 120.19 1hfu s VAL 426 Ca 0.00 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 61.87 1hfu s VAL 426 Cb 0.00 -0.63 0.01 0.00 0.00 0.00 0.00 36.38 35.77 1hfu s VAL 426 CO 0.00 0.25 -0.07 0.54 0.00 0.00 0.00 175.10 175.82 1hfu s VAL 427 N 1.07 0.66 0.14 2.92 0.11 0.03 -4.94 120.40 120.41 1hfu s VAL 427 Ca -0.08 -0.24 -0.30 0.00 -2.93 0.00 0.00 61.98 58.42 1hfu s VAL 427 Cb -0.14 -0.64 -0.07 0.00 -1.53 0.00 0.00 36.38 34.00 1hfu s VAL 427 CO -0.01 0.24 1.19 -0.55 -3.33 0.00 0.00 175.10 172.64 1hfu s SER 428 N 0.58 7.10 0.05 3.54 0.15 -1.26 -1.16 113.70 122.70 1hfu s SER 428 Ca -0.09 2.15 0.25 0.00 0.70 0.00 0.00 55.95 58.96 1hfu s SER 428 Cb -0.12 -2.60 1.01 0.00 -1.71 0.00 0.00 66.02 62.61 1hfu s SER 428 CO 0.01 -0.39 1.79 0.18 1.20 0.00 0.00 173.24 176.02 1hfu n LEU 429 N 2.99 0.17 0.00 3.45 4.77 -0.36 -4.51 117.00 123.51 1hfu n LEU 429 Ca 0.06 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 1hfu n LEU 429 Cb 0.45 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1hfu n LEU 429 CO 0.56 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1hfu n GLY 430 N 1.03 0.16 3.54 -0.72 0.00 -1.26 -4.27 105.19 103.67 1hfu n GLY 430 Ca 0.06 -1.22 -0.25 0.00 0.00 0.00 0.00 46.02 44.61 1hfu n GLY 430 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1hfu s VAL 431 N 0.00 1.54 0.04 1.61 -7.23 -1.26 -4.50 120.40 110.60 1hfu s VAL 431 Ca 0.00 -2.00 -0.38 0.00 -1.81 0.00 0.00 61.98 57.79 1hfu s VAL 431 Cb 0.00 -2.85 -0.17 0.00 0.56 0.00 0.00 36.38 33.92 1hfu s VAL 431 CO 0.00 0.00 1.34 0.41 -0.31 0.00 0.00 175.10 176.54 1hfu n THR 432 N -0.85 0.02 0.00 5.32 -1.04 -1.26 -0.81 114.28 115.67 1hfu n THR 432 Ca -0.04 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1hfu n THR 432 Cb 0.67 -0.74 0.00 0.00 -1.82 0.00 0.00 70.33 68.44 1hfu n THR 432 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1hfu n GLY 433 N 2.53 3.09 3.81 3.41 0.00 -1.26 -4.99 105.19 111.78 1hfu n GLY 433 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1hfu n GLY 433 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hfu s ASP 434 N -1.20 6.92 -0.39 1.61 1.01 0.01 -4.99 116.67 119.64 1hfu s ASP 434 Ca 0.00 1.76 0.08 0.00 0.71 0.00 0.00 52.55 55.10 1hfu s ASP 434 Cb 0.00 -2.55 0.25 0.00 1.01 0.00 0.00 42.92 41.63 1hfu s ASP 434 CO 0.00 -0.37 0.54 -0.62 0.21 0.00 0.00 175.17 174.93 1hfu n GLU 435 N -0.45 0.72 -1.68 8.23 1.02 -1.26 -2.60 120.64 124.61 1hfu n GLU 435 Ca 0.06 -3.18 -0.45 0.00 -0.02 0.00 0.00 57.16 53.57 1hfu n GLU 435 Cb 0.53 -1.24 -0.04 0.00 -0.02 0.00 0.00 31.44 30.67 1hfu n GLU 435 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1hfu n VAL 436 N 1.37 0.08 -4.38 2.62 0.31 -1.26 -4.80 118.33 112.27 1hfu n VAL 436 Ca 0.21 -0.01 -0.26 0.00 -0.01 0.00 0.00 64.34 64.27 1hfu n VAL 436 Cb 0.54 -1.68 -0.17 0.00 -0.91 0.00 0.00 33.84 31.62 1hfu n VAL 436 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1hfu s THR 437 N 1.37 1.16 0.12 2.52 2.01 -0.62 -1.66 115.64 120.54 1hfu s THR 437 Ca 0.80 -0.45 0.06 0.00 0.31 0.00 0.00 61.69 62.41 1hfu s THR 437 Cb -0.64 -1.09 -0.04 0.00 0.01 0.00 0.00 72.50 70.75 1hfu s THR 437 CO 0.38 0.37 -0.14 0.27 -0.69 0.00 0.00 174.62 174.81 1hfu s ILE 438 N 0.99 1.36 0.05 1.82 -4.36 -0.19 -1.52 121.20 119.34 1hfu s ILE 438 Ca -0.08 -1.71 0.04 0.00 -0.26 0.00 0.00 60.65 58.64 1hfu s ILE 438 Cb -0.15 -1.53 -0.02 0.00 1.25 0.00 0.00 42.46 42.01 1hfu s ILE 438 CO -0.00 -0.39 -0.11 -0.13 0.24 0.00 0.00 174.94 174.55 1hfu s ARG 439 N -2.62 0.68 0.22 0.37 0.52 0.15 -0.82 118.95 117.45 1hfu s ARG 439 Ca 0.09 -0.77 -0.17 0.00 -0.52 0.00 0.00 55.73 54.35 1hfu s ARG 439 Cb -0.05 -0.59 0.02 0.00 0.52 0.00 0.00 34.95 34.85 1hfu s ARG 439 CO 0.03 0.13 0.55 -0.59 0.02 0.00 0.00 175.30 175.44 1hfu s PHE 440 N -1.15 -0.03 -0.08 -0.53 -0.71 -0.85 -0.41 117.98 114.21 1hfu s PHE 440 Ca -0.04 -0.33 -0.04 0.00 -1.04 0.00 0.00 56.93 55.48 1hfu s PHE 440 Cb -0.09 0.40 -0.04 0.00 -1.21 0.00 0.00 43.02 42.09 1hfu s PHE 440 CO 0.01 -0.99 0.08 0.08 -1.34 0.00 0.00 175.22 173.06 1hfu s VAL 441 N -3.91 4.89 -1.34 -2.49 1.01 -1.26 -0.95 120.40 116.35 1hfu s VAL 441 Ca 0.12 -0.10 -0.14 0.00 0.00 0.00 0.00 61.98 61.86 1hfu s VAL 441 Cb -0.02 -3.13 0.10 0.00 0.00 0.00 0.00 36.38 33.33 1hfu s VAL 441 CO 0.01 0.55 1.90 0.35 0.00 0.00 0.00 175.10 177.91 1hfu n THR 442 N 1.85 3.93 -0.96 3.92 -2.24 -0.44 -4.66 114.28 115.67 1hfu n THR 442 Ca -0.18 -3.90 0.08 0.00 -2.27 0.00 0.00 64.05 57.78 1hfu n THR 442 Cb 0.54 -2.46 0.32 0.00 -2.10 0.00 0.00 70.33 66.63 1hfu n THR 442 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1hfu n ASP 443 N 5.98 4.65 -3.36 3.42 5.68 -1.26 -1.13 116.55 130.52 1hfu n ASP 443 Ca 0.46 -2.99 -0.17 0.00 -0.50 0.00 0.00 54.79 51.59 1hfu n ASP 443 Cb 0.40 -0.60 -0.08 0.00 -1.14 0.00 0.00 41.12 39.70 1hfu n ASP 443 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 1hfu s ASN 444 N -1.48 1.20 0.12 -1.12 3.84 -1.26 -5.05 114.94 111.19 1hfu s ASN 444 Ca 0.47 -1.60 -0.32 0.00 0.21 0.00 0.00 52.86 51.62 1hfu s ASN 444 Cb 0.37 0.54 -0.12 0.00 -0.55 0.00 0.00 41.25 41.49 1hfu s ASN 444 CO 0.12 -0.26 1.76 -2.65 -2.79 0.00 0.00 177.10 173.28 1hfu n PRO 445 N 4.23 2.54 0.00 0.43 -0.02 -1.26 -4.81 135.00 136.10 1hfu n PRO 445 Ca 0.11 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.51 1hfu n PRO 445 Cb 0.45 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 1hfu n PRO 445 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hfu n GLY 446 N 4.00 3.17 3.68 -1.23 0.00 0.25 -4.75 105.19 110.31 1hfu n GLY 446 Ca 0.18 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 1hfu n GLY 446 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1hfu s PRO 447 N -2.10 4.33 -0.06 1.61 0.04 -1.26 -1.41 135.00 136.15 1hfu s PRO 447 Ca 0.00 1.11 0.03 0.00 0.04 0.00 0.00 61.00 62.18 1hfu s PRO 447 Cb 0.00 -3.56 0.00 0.00 0.04 0.00 0.00 34.50 30.98 1hfu s PRO 447 CO 0.00 -0.31 -0.16 -1.58 0.04 0.00 0.00 177.00 174.99 1hfu s TRP 448 N 2.06 1.71 0.50 0.56 0.52 0.34 -4.81 118.94 119.82 1hfu s TRP 448 Ca 0.41 -0.58 -0.21 0.00 0.02 0.00 0.00 56.10 55.74 1hfu s TRP 448 Cb -0.17 -1.19 -0.07 0.00 -1.15 0.00 0.00 33.47 30.90 1hfu s TRP 448 CO 0.14 -0.25 1.15 0.12 0.02 0.00 0.00 176.95 178.13 1hfu s PHE 449 N 0.34 2.77 -0.20 -1.98 2.19 -1.26 -1.04 117.98 118.79 1hfu s PHE 449 Ca -0.10 1.54 -0.05 0.00 0.33 0.00 0.00 56.93 58.65 1hfu s PHE 449 Cb -0.14 -3.33 0.07 0.00 -1.31 0.00 0.00 43.02 38.31 1hfu s PHE 449 CO 0.04 -1.54 0.09 0.12 1.83 0.00 0.00 175.22 175.76 1hfu s PHE 450 N -1.67 0.32 0.23 10.12 5.36 -0.61 -1.25 117.98 130.49 1hfu s PHE 450 Ca 0.69 -0.51 -0.20 0.00 -0.96 0.00 0.00 56.93 55.95 1hfu s PHE 450 Cb -0.26 -0.79 0.03 0.00 -0.34 0.00 0.00 43.02 41.66 1hfu s PHE 450 CO 0.30 -0.60 0.62 -3.38 -1.46 0.00 0.00 175.22 170.71 1hfu s HIS 451 N 2.10 -0.17 0.11 10.12 -3.43 -0.86 -1.07 115.29 122.08 1hfu s HIS 451 Ca 0.03 -0.21 -0.31 0.00 -0.80 0.00 0.00 55.06 53.78 1hfu s HIS 451 Cb -0.16 0.55 -0.08 0.00 -1.43 0.00 0.00 32.58 31.46 1hfu s HIS 451 CO -0.16 -1.06 1.39 0.00 -2.00 0.00 0.00 174.74 172.91 1hfu n HIS 453 N 4.00 0.00 -2.02 0.00 -0.00 0.13 -4.20 115.22 113.14 1hfu n HIS 453 Ca 0.12 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.87 1hfu n HIS 453 Cb 0.42 -0.07 -0.03 0.00 -0.12 0.00 0.00 29.99 30.20 1hfu n HIS 453 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1hfu s ILE 454 N -2.17 3.51 0.32 3.57 1.01 -1.26 -4.73 121.20 121.45 1hfu s ILE 454 Ca 0.39 0.52 0.03 0.00 0.00 0.00 0.00 60.65 61.59 1hfu s ILE 454 Cb 0.21 -3.66 0.29 0.00 0.01 0.00 0.00 42.46 39.31 1hfu s ILE 454 CO 0.40 -0.40 1.92 -0.08 0.00 0.00 0.00 174.94 176.77 1hfu h GLU 455 N 12.51 0.90 0.00 2.79 4.57 -1.34 -0.77 114.58 133.24 1hfu h GLU 455 Ca -0.34 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 57.75 1hfu h GLU 455 Cb 1.17 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.55 1hfu h GLU 455 CO 1.03 0.59 -0.18 0.74 -1.18 0.00 0.00 179.01 180.01 1hfu h PHE 456 N 0.92 0.00 0.19 0.92 0.04 -1.91 -1.57 116.94 115.54 1hfu h PHE 456 Ca 0.38 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.89 1hfu h PHE 456 Cb 0.28 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.46 1hfu h PHE 456 CO -0.00 0.18 -1.17 0.45 -0.60 0.00 0.00 178.31 177.16 1hfu h HIS 457 N 0.00 0.74 -0.40 -0.55 3.86 -1.49 -2.72 115.15 114.59 1hfu h HIS 457 Ca -0.00 -0.54 0.05 0.00 -1.16 0.00 0.00 60.37 58.72 1hfu h HIS 457 Cb 0.42 -0.03 -0.04 0.00 1.06 0.00 0.00 27.41 28.82 1hfu h HIS 457 CO 0.00 1.45 0.15 1.25 0.86 0.00 0.00 177.93 181.64 1hfu h LEU 458 N -0.13 0.17 -1.95 2.43 5.85 -1.29 -1.40 115.31 118.99 1hfu h LEU 458 Ca -0.21 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 1hfu h LEU 458 Cb 1.90 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.94 1hfu h LEU 458 CO 0.20 0.14 -0.07 -0.03 -0.34 0.00 0.00 178.44 178.33 1hfu h MET 459 N 0.32 0.00 -0.61 1.25 4.05 -1.35 -2.27 114.93 116.31 1hfu h MET 459 Ca 0.18 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.60 1hfu h MET 459 Cb 0.15 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.95 1hfu h MET 459 CO -0.18 0.07 0.00 0.09 0.23 0.00 0.00 176.91 177.13 1hfu n ASN 460 N -3.36 5.37 0.00 1.39 4.13 -0.62 -4.96 115.26 117.22 1hfu n ASN 460 Ca -0.01 -2.73 0.00 0.00 1.68 0.00 0.00 54.58 53.52 1hfu n ASN 460 Cb 0.24 -0.65 0.00 0.00 -1.54 0.00 0.00 39.78 37.83 1hfu n ASN 460 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1hfu n GLY 461 N 0.85 0.73 3.31 7.41 0.00 -0.84 -0.26 105.19 116.40 1hfu n GLY 461 Ca 0.27 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.86 1hfu n GLY 461 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1hfu n LEU 462 N 0.00 5.59 -3.49 0.99 7.94 -0.68 -1.25 117.00 126.09 1hfu n LEU 462 Ca 0.00 -4.27 -0.10 0.00 -1.11 0.00 0.00 56.01 50.53 1hfu n LEU 462 Cb 0.00 -1.65 -0.03 0.00 0.53 0.00 0.00 43.42 42.28 1hfu n LEU 462 CO 0.00 0.69 0.62 0.00 -1.11 0.00 0.00 177.39 177.59 1hfu s ALA 463 N 2.48 -1.78 0.15 1.96 0.00 -1.26 -2.20 121.76 121.10 1hfu s ALA 463 Ca 0.47 0.98 -0.04 0.00 0.00 0.00 0.00 51.96 53.36 1hfu s ALA 463 Cb 0.04 0.38 -0.03 0.00 0.00 0.00 0.00 23.12 23.51 1hfu s ALA 463 CO 0.02 -0.65 0.15 0.96 0.00 0.00 0.00 175.76 176.24 1hfu s ILE 464 N -2.94 0.08 -0.04 0.00 -4.36 -0.24 -4.35 121.20 109.35 1hfu s ILE 464 Ca 0.02 -1.72 0.07 0.00 -0.26 0.00 0.00 60.65 58.77 1hfu s ILE 464 Cb -0.01 -2.00 -0.02 0.00 1.25 0.00 0.00 42.46 41.68 1hfu s ILE 464 CO -0.08 -0.37 -0.25 -0.69 0.24 0.00 0.00 174.94 173.80 1hfu s VAL 465 N -4.03 2.01 -0.29 8.37 1.01 -0.01 -1.57 120.40 125.89 1hfu s VAL 465 Ca 0.22 -1.07 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 1hfu s VAL 465 Cb 0.06 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 1hfu s VAL 465 CO 0.02 0.57 0.19 -0.36 0.00 0.00 0.00 175.10 175.52 1hfu s PHE 466 N -0.39 3.21 -0.82 5.22 0.08 -0.21 -0.78 117.98 124.30 1hfu s PHE 466 Ca 0.03 -0.02 -0.18 0.00 0.12 0.00 0.00 56.93 56.88 1hfu s PHE 466 Cb -0.12 -2.40 0.14 0.00 -0.57 0.00 0.00 43.02 40.08 1hfu s PHE 466 CO 0.01 -0.23 0.95 0.00 -0.10 0.00 0.00 175.22 175.85 1hfu s ALA 467 N 1.74 3.52 -0.16 5.36 0.00 -0.30 -0.51 121.76 131.41 1hfu s ALA 467 Ca 0.07 -2.71 -0.21 0.00 0.00 0.00 0.00 51.96 49.11 1hfu s ALA 467 Cb -0.16 -3.81 -0.03 0.00 0.00 0.00 0.00 23.12 19.11 1hfu s ALA 467 CO 0.10 -2.68 0.62 -2.00 0.00 0.00 0.00 175.76 171.80 1hfu s GLU 468 N 2.23 4.27 -1.03 0.00 2.12 -0.50 -0.93 118.70 124.86 1hfu s GLU 468 Ca 0.24 0.63 -0.16 0.00 0.36 0.00 0.00 54.97 56.05 1hfu s GLU 468 Cb -0.11 -3.53 0.00 0.00 0.26 0.00 0.00 34.13 30.75 1hfu s GLU 468 CO -0.05 -0.12 0.73 -3.47 -0.54 0.00 0.00 175.26 171.81 1hfu n ASP 469 N 4.60 -5.44 -0.27 -1.70 2.03 -0.26 -0.58 116.55 114.94 1hfu n ASP 469 Ca -0.02 -0.91 0.00 0.00 0.52 0.00 0.00 54.79 54.37 1hfu n ASP 469 Cb 0.50 -3.08 0.13 0.00 -0.72 0.00 0.00 41.12 37.95 1hfu n ASP 469 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1hfu h MET 470 N -1.33 0.76 -0.19 -0.67 2.86 -1.79 -2.26 114.93 112.31 1hfu h MET 470 Ca -0.58 -0.05 0.05 0.00 -2.06 0.00 0.00 59.70 57.07 1hfu h MET 470 Cb 1.33 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.81 1hfu h MET 470 CO 0.44 0.50 0.14 0.00 1.06 0.00 0.00 176.91 179.05 1hfu h ALA 471 N 1.39 2.15 -0.48 6.32 0.00 -1.89 -1.99 119.26 124.76 1hfu h ALA 471 Ca 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1hfu h ALA 471 Cb 0.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1hfu h ALA 471 CO -0.20 -0.23 0.00 0.09 0.00 0.00 0.00 179.25 178.91 1hfu n ASN 472 N -4.45 3.30 -0.12 0.00 3.02 -0.88 -4.60 115.26 111.52 1hfu n ASN 472 Ca 0.01 -1.98 -0.12 0.00 -0.03 0.00 0.00 54.58 52.46 1hfu n ASN 472 Cb 0.27 -0.32 -0.02 0.00 -0.61 0.00 0.00 39.78 39.10 1hfu n ASN 472 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1hfu h THR 473 N 2.96 1.28 -0.49 3.41 2.02 -1.02 -0.98 112.91 120.09 1hfu h THR 473 Ca 0.00 -1.25 -0.06 0.00 0.77 0.00 0.00 66.41 65.87 1hfu h THR 473 Cb 0.83 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 68.53 1hfu h THR 473 CO 0.00 0.41 0.06 0.58 0.37 0.00 0.00 175.52 176.94 1hfu h VAL 474 N 0.54 1.25 -0.58 3.16 2.07 -1.81 -2.70 116.25 118.18 1hfu h VAL 474 Ca 0.09 -0.97 -0.07 0.00 0.82 0.00 0.00 66.70 66.57 1hfu h VAL 474 Cb 0.68 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1hfu h VAL 474 CO 0.05 0.34 0.10 -0.78 0.02 0.00 0.00 177.57 177.30 1hfu h ASP 475 N 0.70 0.88 0.42 0.57 3.58 -1.84 -3.24 116.42 117.50 1hfu h ASP 475 Ca 0.15 -0.19 -0.15 0.00 0.42 0.00 0.00 57.03 57.26 1hfu h ASP 475 Cb 0.43 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 1hfu h ASP 475 CO 0.01 0.88 -0.65 0.00 -2.88 0.00 0.00 179.24 176.61 1hfu h ALA 476 N 1.22 0.80 -3.26 -0.78 0.00 -1.05 -3.44 119.26 112.75 1hfu h ALA 476 Ca 0.18 -0.57 -0.65 0.00 0.00 0.00 0.00 54.91 53.87 1hfu h ALA 476 Cb 0.38 -0.08 -0.24 0.00 0.00 0.00 0.00 17.79 17.85 1hfu h ALA 476 CO 0.01 0.76 -0.71 -0.80 0.00 0.00 0.00 179.25 178.52 1hfu s ASN 477 N -6.90 4.48 -0.57 0.00 0.01 -1.03 -4.30 114.94 106.64 1hfu s ASN 477 Ca -0.04 -0.23 0.05 0.00 -0.71 0.00 0.00 52.86 51.93 1hfu s ASN 477 Cb 0.12 -1.72 0.17 0.00 0.41 0.00 0.00 41.25 40.23 1hfu s ASN 477 CO 0.80 0.14 0.44 0.59 -1.51 0.00 0.00 177.10 177.56 1hfu n ASN 478 N 3.71 1.41 -4.75 -1.22 3.02 -1.26 -4.81 115.26 111.36 1hfu n ASN 478 Ca -0.18 -2.83 -0.38 0.00 -0.03 0.00 0.00 54.58 51.16 1hfu n ASN 478 Cb 0.52 -0.66 0.04 0.00 -0.61 0.00 0.00 39.78 39.07 1hfu n ASN 478 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 1hfu s PRO 479 N -0.82 3.10 0.85 3.52 0.02 -1.26 -5.01 135.00 135.40 1hfu s PRO 479 Ca 0.29 2.16 -0.11 0.00 0.02 0.00 0.00 61.00 63.36 1hfu s PRO 479 Cb 0.01 -2.19 0.10 0.00 0.02 0.00 0.00 34.50 32.43 1hfu s PRO 479 CO -0.18 -1.20 1.10 -1.25 -0.33 0.00 0.00 177.00 175.14 1hfu s PRO 480 N -2.98 1.62 0.44 5.54 0.04 -1.26 -4.91 135.00 133.50 1hfu s PRO 480 Ca 0.73 1.10 0.11 0.00 0.04 0.00 0.00 61.00 62.98 1hfu s PRO 480 Cb -0.39 -1.83 0.99 0.00 0.04 0.00 0.00 34.50 33.31 1hfu s PRO 480 CO 0.45 -2.07 2.05 -0.24 0.04 0.00 0.00 177.00 177.23 1hfu h VAL 481 N -1.44 1.02 0.00 -0.36 3.04 -2.03 -0.41 116.25 116.07 1hfu h VAL 481 Ca -0.46 -0.14 -0.02 0.00 -1.01 0.00 0.00 66.70 65.07 1hfu h VAL 481 Cb 1.26 0.57 -0.00 0.00 -2.01 0.00 0.00 31.29 31.10 1hfu h VAL 481 CO 0.51 0.08 -0.08 -0.33 -1.01 0.00 0.00 177.57 176.73 1hfu h GLU 482 N 0.41 0.00 0.14 4.17 3.07 -1.99 -3.21 114.58 117.18 1hfu h GLU 482 Ca 0.17 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.02 1hfu h GLU 482 Cb 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 1hfu h GLU 482 CO -0.04 0.08 -0.07 2.35 -1.40 0.00 0.00 179.01 179.93 1hfu h TRP 483 N 0.00 -0.18 0.00 4.33 7.01 -1.41 -2.69 115.95 123.01 1hfu h TRP 483 Ca -0.00 -0.00 -0.07 0.00 2.11 0.00 0.00 58.89 60.93 1hfu h TRP 483 Cb 0.37 0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.47 1hfu h TRP 483 CO 0.00 0.08 -0.33 0.00 -2.79 0.00 0.00 178.44 175.40 1hfu h ALA 484 N 0.39 1.28 0.00 2.65 0.00 -1.71 -2.32 119.26 119.55 1hfu h ALA 484 Ca -0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1hfu h ALA 484 Cb 0.34 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1hfu h ALA 484 CO 0.03 0.42 -0.02 1.96 0.00 0.00 0.00 179.25 181.63 1hfu h GLN 485 N 0.00 0.00 -0.63 0.00 4.20 -1.55 -2.17 115.11 114.96 1hfu h GLN 485 Ca -0.00 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.79 1hfu h GLN 485 Cb 0.65 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.37 1hfu h GLN 485 CO 0.04 0.02 0.30 -0.07 -0.67 0.00 0.00 178.83 178.46 1hfu h LEU 486 N 0.00 0.38 -0.88 1.46 3.38 -1.08 -1.56 115.31 117.01 1hfu h LEU 486 Ca -0.00 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1hfu h LEU 486 Cb 0.26 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1hfu h LEU 486 CO 0.00 0.24 -0.06 0.00 0.09 0.00 0.00 178.44 178.71 1hfu h GLU 488 N 0.70 0.70 -0.47 0.00 4.11 -1.55 0.29 114.58 118.36 1hfu h GLU 488 Ca 0.13 -0.34 -0.05 0.00 0.07 0.00 0.00 59.36 59.18 1hfu h GLU 488 Cb 0.52 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1hfu h GLU 488 CO 0.03 0.94 0.11 0.82 0.07 0.00 0.00 179.01 180.98 1hfu h ILE 489 N 0.46 1.24 -0.24 -1.06 2.04 -1.13 -2.57 117.51 116.26 1hfu h ILE 489 Ca 0.06 -0.85 -0.02 0.00 1.00 0.00 0.00 64.86 65.06 1hfu h ILE 489 Cb 0.77 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1hfu h ILE 489 CO 0.06 0.30 0.08 0.22 0.00 0.00 0.00 178.15 178.81 1hfu h TYR 490 N 0.64 0.37 0.00 1.37 3.20 -0.56 -3.02 116.97 118.98 1hfu h TYR 490 Ca 0.15 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 1hfu h TYR 490 Cb 0.34 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.50 1hfu h TYR 490 CO 0.02 0.42 -0.02 -0.44 -1.64 0.00 0.00 178.16 176.50 1hfu h ASP 491 N 0.22 0.00 0.60 -2.11 3.32 -0.88 -2.48 116.42 115.09 1hfu h ASP 491 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1hfu h ASP 491 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1hfu h ASP 491 CO -0.00 0.02 -0.44 0.47 -1.72 0.00 0.00 179.24 177.57 1hfu n ASP 492 N -3.16 0.44 -4.66 6.45 8.00 -0.97 -4.96 116.55 117.69 1hfu n ASP 492 Ca -0.01 -0.11 -0.45 0.00 0.71 0.00 0.00 54.79 54.93 1hfu n ASP 492 Cb 0.23 0.13 -0.02 0.00 -0.02 0.00 0.00 41.12 41.44 1hfu n ASP 492 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1hfu n LEU 493 N -1.55 2.97 -4.79 0.64 4.32 -0.94 -4.98 117.00 112.69 1hfu n LEU 493 Ca 0.06 1.16 -0.32 0.00 -0.02 0.00 0.00 56.01 56.89 1hfu n LEU 493 Cb 0.34 -1.41 0.06 0.00 -1.62 0.00 0.00 43.42 40.79 1hfu n LEU 493 CO 0.34 -0.62 0.71 -2.16 -1.22 0.00 0.00 177.39 174.44 1hfu s PRO 494 N -0.82 2.75 0.34 3.23 0.04 -1.26 -4.95 135.00 134.33 1hfu s PRO 494 Ca 0.65 1.16 0.07 0.00 0.04 0.00 0.00 61.00 62.91 1hfu s PRO 494 Cb -0.65 -1.96 0.74 0.00 0.04 0.00 0.00 34.50 32.67 1hfu s PRO 494 CO 0.53 -1.26 1.88 -1.35 0.04 0.00 0.00 177.00 176.84 1hfu h PRO 495 N -0.49 0.75 0.00 0.56 0.11 -1.99 -1.52 132.00 129.41 1hfu h PRO 495 Ca -0.45 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 1hfu h PRO 495 Cb 1.23 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1hfu h PRO 495 CO 0.55 0.50 -0.02 1.05 -0.21 0.00 0.00 178.00 179.87 1hfu h GLU 496 N 0.78 0.00 0.00 1.05 9.09 -1.96 -1.90 114.58 121.64 1hfu h GLU 496 Ca 0.43 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.84 1hfu h GLU 496 Cb 0.58 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.68 1hfu h GLU 496 CO -0.20 0.02 0.00 0.00 0.05 0.00 0.00 179.01 178.88 1hfu h ALA 497 N 1.98 1.00 0.00 1.06 0.00 -1.64 -3.33 119.26 118.34 1hfu h ALA 497 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1hfu h ALA 497 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1hfu h ALA 497 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.50 1hfu n THR 498 N -3.05 0.23 -1.90 0.00 -2.24 -1.08 -4.80 114.28 101.44 1hfu n THR 498 Ca 0.03 -0.49 -0.37 0.00 -2.27 0.00 0.00 64.05 60.95 1hfu n THR 498 Cb 0.48 1.05 0.04 0.00 -2.10 0.00 0.00 70.33 69.81 1hfu n THR 498 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1hfu s SER 499 N -0.23 5.14 -0.15 3.42 1.04 -0.73 -4.94 113.70 117.24 1hfu s SER 499 Ca 0.00 2.54 0.01 0.00 0.48 0.00 0.00 55.95 58.98 1hfu s SER 499 Cb 0.00 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.51 1hfu s SER 499 CO 0.00 -1.64 -0.18 -0.63 0.98 0.00 0.00 173.24 171.77 1hfu s ILE 500 N -1.46 2.41 -0.49 -1.02 1.01 -1.26 -4.80 121.20 115.59 1hfu s ILE 500 Ca 0.76 -0.85 -0.21 0.00 0.00 0.00 0.00 60.65 60.35 1hfu s ILE 500 Cb -0.35 -2.00 0.04 0.00 0.01 0.00 0.00 42.46 40.16 1hfu s ILE 500 CO 0.39 0.53 0.70 -1.58 0.00 0.00 0.00 174.94 174.97 1hfu s GLN 501 N 0.88 3.22 0.36 2.79 0.74 0.49 -5.00 119.66 123.14 1hfu s GLN 501 Ca -0.05 -0.58 -0.25 0.00 0.05 0.00 0.00 55.36 54.53 1hfu s GLN 501 Cb -0.15 -4.04 -0.10 0.00 1.10 0.00 0.00 33.01 29.82 1hfu s GLN 501 CO -0.02 -1.21 0.99 0.99 -0.55 0.00 0.00 175.29 175.49 1hfu s THR 502 N 2.97 4.05 0.00 -0.34 2.01 -1.26 -4.12 115.64 118.95 1hfu s THR 502 Ca 0.21 1.60 0.00 0.00 0.31 0.00 0.00 61.69 63.81 1hfu s THR 502 Cb -0.16 -3.84 0.00 0.00 0.01 0.00 0.00 72.50 68.51 1hfu s THR 502 CO 0.16 0.04 0.00 0.55 -0.69 0.00 0.00 174.62 174.68