#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nfu s PHE 2 N 0.00 1.41 0.54 -1.77 0.08 -1.26 -5.13 117.98 111.85 3nfu s PHE 2 Ca 0.00 -0.29 -0.21 0.00 0.12 0.00 0.00 56.93 56.54 3nfu s PHE 2 Cb 0.00 -0.92 -0.05 0.00 -0.57 0.00 0.00 43.02 41.48 3nfu s PHE 2 CO 0.00 -0.05 1.28 -1.25 -0.10 0.00 0.00 175.22 175.10 3nfu s PRO 3 N -0.27 3.22 0.38 0.24 0.04 -1.26 -4.62 135.00 132.73 3nfu s PRO 3 Ca 0.04 2.03 -0.15 0.00 0.04 0.00 0.00 61.00 62.96 3nfu s PRO 3 Cb -0.07 -2.20 -0.09 0.00 0.04 0.00 0.00 34.50 32.18 3nfu s PRO 3 CO -0.00 -1.06 0.80 0.15 0.04 0.00 0.00 177.00 176.92 3nfu s LYS 4 N -2.97 3.97 -0.03 4.56 1.02 -1.26 -2.09 119.74 122.95 3nfu s LYS 4 Ca 0.72 0.71 -0.30 0.00 0.02 0.00 0.00 55.97 57.12 3nfu s LYS 4 Cb -0.35 -2.35 -0.06 0.00 -0.52 0.00 0.00 37.83 34.55 3nfu s LYS 4 CO 0.41 0.04 1.53 0.42 -0.92 0.00 0.00 175.35 176.83 3nfu s ILE 5 N -2.17 3.60 -0.12 2.17 1.09 0.07 -1.69 121.20 124.15 3nfu s ILE 5 Ca 0.55 0.88 0.20 0.00 -1.10 0.00 0.00 60.65 61.18 3nfu s ILE 5 Cb -0.10 -3.57 -0.28 0.00 -1.06 0.00 0.00 42.46 37.45 3nfu s ILE 5 CO 0.22 -0.04 0.29 0.35 -0.10 0.00 0.00 174.94 175.66 3nfu n THR 6 N 5.07 0.77 -3.79 2.92 -2.24 0.72 -1.01 114.28 116.72 3nfu n THR 6 Ca 0.15 -0.69 -0.13 0.00 -2.27 0.00 0.00 64.05 61.11 3nfu n THR 6 Cb 0.43 -0.28 -0.12 0.00 -2.10 0.00 0.00 70.33 68.27 3nfu n THR 6 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3nfu s LYS 7 N -2.96 0.27 -0.10 -0.78 2.20 -0.90 -4.95 119.74 112.52 3nfu s LYS 7 Ca -0.09 0.32 -0.01 0.00 -0.36 0.00 0.00 55.97 55.83 3nfu s LYS 7 Cb 0.10 0.13 0.03 0.00 -1.51 0.00 0.00 37.83 36.57 3nfu s LYS 7 CO 0.86 -0.03 -0.04 1.41 -0.36 0.00 0.00 175.35 177.20 3nfu s MET 8 N 0.12 1.07 -0.14 4.03 -2.45 -1.26 -0.74 119.30 119.93 3nfu s MET 8 Ca -0.00 -0.09 0.02 0.00 -1.25 0.00 0.00 55.69 54.37 3nfu s MET 8 Cb -0.02 -1.32 0.01 0.00 1.25 0.00 0.00 34.83 34.75 3nfu s MET 8 CO 0.00 -0.30 -0.20 -0.80 1.05 0.00 0.00 175.02 174.77 3nfu s ASN 9 N 1.84 2.97 -0.36 1.11 -0.87 0.18 -5.01 114.94 114.80 3nfu s ASN 9 Ca 0.05 -0.57 -0.16 0.00 -1.57 0.00 0.00 52.86 50.61 3nfu s ASN 9 Cb -0.13 -1.37 -0.00 0.00 -0.02 0.00 0.00 41.25 39.73 3nfu s ASN 9 CO -0.07 0.06 0.38 -0.69 -2.57 0.00 0.00 177.10 174.21 3nfu s VAL 10 N 0.90 5.15 -0.39 1.60 1.01 -1.26 -0.14 120.40 127.27 3nfu s VAL 10 Ca -0.06 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 61.89 3nfu s VAL 10 Cb -0.15 -3.88 0.11 0.00 0.00 0.00 0.00 36.38 32.46 3nfu s VAL 10 CO -0.03 -0.18 0.13 -0.69 0.00 0.00 0.00 175.10 174.33 3nfu s VAL 11 N 2.04 2.04 0.35 2.92 1.01 0.23 -4.99 120.40 124.00 3nfu s VAL 11 Ca 0.12 -2.45 -0.27 0.00 0.00 0.00 0.00 61.98 59.37 3nfu s VAL 11 Cb -0.17 -2.48 -0.09 0.00 0.00 0.00 0.00 36.38 33.63 3nfu s VAL 11 CO 0.12 -0.69 1.23 -2.16 0.00 0.00 0.00 175.10 173.60 3nfu s PRO 12 N 0.68 4.26 0.08 2.72 0.04 -1.26 -0.34 135.00 141.19 3nfu s PRO 12 Ca 0.13 2.03 0.01 0.00 0.04 0.00 0.00 61.00 63.21 3nfu s PRO 12 Cb -0.21 -2.93 -0.04 0.00 0.04 0.00 0.00 34.50 31.36 3nfu s PRO 12 CO -0.08 -0.20 -0.06 0.14 0.04 0.00 0.00 177.00 176.84 3nfu s VAL 13 N -1.24 0.58 0.02 -0.36 -7.23 0.39 -4.28 120.40 108.29 3nfu s VAL 13 Ca 0.52 -1.83 0.02 0.00 -1.81 0.00 0.00 61.98 58.88 3nfu s VAL 13 Cb -0.36 -1.55 -0.02 0.00 0.56 0.00 0.00 36.38 35.02 3nfu s VAL 13 CO 0.46 -0.86 -0.08 0.00 -0.31 0.00 0.00 175.10 174.32 3nfu s ALA 14 N -3.48 0.61 0.00 1.32 0.00 -0.85 -1.01 121.76 118.35 3nfu s ALA 14 Ca 0.09 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.47 3nfu s ALA 14 Cb 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.12 3nfu s ALA 14 CO -0.05 0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.18 3nfu n GLY 15 N 2.06 4.36 3.74 0.00 0.00 -0.58 -4.64 105.19 110.13 3nfu n GLY 15 Ca -0.19 -1.79 -0.30 0.00 0.00 0.00 0.00 46.02 43.74 3nfu n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3nfu s GLU 16 N -1.56 2.75 0.08 1.61 2.02 -1.26 -1.99 118.70 120.35 3nfu s GLU 16 Ca 0.00 -0.75 -0.09 0.00 0.02 0.00 0.00 54.97 54.15 3nfu s GLU 16 Cb 0.00 -2.65 -0.00 0.00 0.10 0.00 0.00 34.13 31.58 3nfu s GLU 16 CO 0.00 0.55 0.19 0.34 0.02 0.00 0.00 175.26 176.37 3nfu s ASP 17 N -2.37 0.11 0.89 -0.19 2.15 -0.24 -4.76 116.67 112.25 3nfu s ASP 17 Ca 0.28 -0.62 -0.07 0.00 0.43 0.00 0.00 52.55 52.56 3nfu s ASP 17 Cb -0.12 0.34 0.13 0.00 -0.30 0.00 0.00 42.92 42.97 3nfu s ASP 17 CO 0.21 -0.72 0.78 0.61 -0.17 0.00 0.00 175.17 175.88 3nfu n GLY 18 N -0.00 -0.77 2.52 2.66 0.00 -1.26 -4.44 105.19 103.90 3nfu n GLY 18 Ca -0.15 -1.79 -0.40 0.00 0.00 0.00 0.00 46.02 43.68 3nfu n GLY 18 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3nfu n PHE 19 N -2.92 2.70 -2.69 1.61 -0.00 -1.26 -4.63 117.46 110.27 3nfu n PHE 19 Ca 0.11 -2.92 -0.42 0.00 -0.00 0.00 0.00 57.45 54.21 3nfu n PHE 19 Cb 0.37 -2.14 -0.03 0.00 -0.00 0.00 0.00 39.48 37.69 3nfu n PHE 19 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 3nfu s LEU 20 N -0.63 4.31 -0.07 -2.13 1.02 -1.26 -1.48 118.68 118.44 3nfu s LEU 20 Ca 0.56 1.60 -0.12 0.00 0.02 0.00 0.00 54.13 56.19 3nfu s LEU 20 Cb 0.16 -3.56 -0.05 0.00 0.02 0.00 0.00 46.19 42.76 3nfu s LEU 20 CO -0.07 -0.36 0.30 -0.76 0.02 0.00 0.00 176.35 175.49 3nfu s LEU 21 N 1.52 4.40 0.35 1.79 1.43 -0.62 -0.50 118.68 127.05 3nfu s LEU 21 Ca 0.50 0.72 -0.10 0.00 -1.03 0.00 0.00 54.13 54.23 3nfu s LEU 21 Cb -0.20 -2.39 0.03 0.00 0.03 0.00 0.00 46.19 43.66 3nfu s LEU 21 CO 0.23 0.30 0.63 0.54 0.23 0.00 0.00 176.35 178.28 3nfu s ASN 22 N -0.73 0.41 0.27 2.29 2.20 -0.10 -4.47 114.94 114.80 3nfu s ASN 22 Ca 0.20 -1.27 0.01 0.00 -0.94 0.00 0.00 52.86 50.85 3nfu s ASN 22 Cb -0.14 0.75 0.59 0.00 -2.00 0.00 0.00 41.25 40.44 3nfu s ASN 22 CO 0.09 -1.47 1.76 0.25 -2.94 0.00 0.00 177.10 174.78 3nfu h LEU 23 N 2.06 0.54 -0.16 3.54 5.85 -1.71 0.19 115.31 125.62 3nfu h LEU 23 Ca -0.30 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.53 3nfu h LEU 23 Cb 1.25 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.29 3nfu h LEU 23 CO 0.39 0.20 0.00 -1.20 -0.34 0.00 0.00 178.44 177.49 3nfu n SER 24 N -4.88 0.25 0.00 1.25 7.64 -1.26 -4.55 113.62 112.07 3nfu n SER 24 Ca 0.19 0.55 0.00 0.00 1.01 0.00 0.00 58.87 60.61 3nfu n SER 24 Cb 0.48 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 3nfu n SER 24 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3nfu n GLY 25 N 0.47 0.40 3.10 0.23 0.00 0.05 -4.05 105.19 105.39 3nfu n GLY 25 Ca 0.04 -1.18 -0.29 0.00 0.00 0.00 0.00 46.02 44.60 3nfu n GLY 25 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3nfu s GLY 26 N 0.00 1.07 0.38 -0.02 0.00 -0.11 -0.93 107.32 107.72 3nfu s GLY 26 Ca 0.00 -0.72 -0.26 0.00 0.00 0.00 0.00 44.72 43.73 3nfu s GLY 26 CO 0.00 -0.00 1.22 1.42 0.00 0.00 0.00 173.10 175.74 3nfu n HIS 27 N 3.84 1.99 -1.51 1.90 8.25 0.35 -4.37 115.22 125.67 3nfu n HIS 27 Ca -0.20 0.55 -0.32 0.00 -0.26 0.00 0.00 57.72 57.48 3nfu n HIS 27 Cb 0.52 -2.36 0.07 0.00 1.12 0.00 0.00 29.99 29.34 3nfu n HIS 27 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3nfu s GLU 28 N -2.00 2.58 0.35 -0.41 2.02 -1.26 -4.51 118.70 115.47 3nfu s GLU 28 Ca 0.59 1.22 0.24 0.00 0.02 0.00 0.00 54.97 57.04 3nfu s GLU 28 Cb -0.55 -1.93 1.25 0.00 0.10 0.00 0.00 34.13 32.99 3nfu s GLU 28 CO 0.60 -1.40 1.74 -1.35 0.02 0.00 0.00 175.26 174.87 3nfu h PRO 29 N -0.61 0.00 -6.63 0.39 0.11 -1.84 -3.41 132.00 120.02 3nfu h PRO 29 Ca -0.45 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 64.98 3nfu h PRO 29 Cb 1.23 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 32.12 3nfu h PRO 29 CO 0.53 0.00 -0.81 1.67 -0.21 0.00 0.00 178.00 179.18 3nfu s TRP 30 N -3.56 2.53 0.15 0.65 -2.14 -1.26 -1.08 118.94 114.22 3nfu s TRP 30 Ca -0.01 -0.27 0.10 0.00 2.66 0.00 0.00 56.10 58.58 3nfu s TRP 30 Cb 0.07 -1.43 -0.04 0.00 -3.10 0.00 0.00 33.47 28.97 3nfu s TRP 30 CO 0.26 0.27 -0.24 -0.59 -2.66 0.00 0.00 176.95 173.99 3nfu s PHE 31 N -0.96 2.17 -0.05 1.66 -0.12 -0.84 -4.85 117.98 114.99 3nfu s PHE 31 Ca 0.15 -0.39 0.04 0.00 -0.05 0.00 0.00 56.93 56.68 3nfu s PHE 31 Cb -0.10 -1.14 -0.02 0.00 -0.63 0.00 0.00 43.02 41.12 3nfu s PHE 31 CO 0.06 0.36 -0.16 0.42 -0.05 0.00 0.00 175.22 175.85 3nfu s ILE 32 N -1.35 2.88 0.11 -4.49 -1.09 -1.26 -1.53 121.20 114.48 3nfu s ILE 32 Ca 0.15 -0.79 -0.04 0.00 -2.23 0.00 0.00 60.65 57.74 3nfu s ILE 32 Cb -0.09 -2.11 -0.03 0.00 -1.58 0.00 0.00 42.46 38.65 3nfu s ILE 32 CO 0.07 0.59 0.11 -0.13 -1.23 0.00 0.00 174.94 174.35 3nfu s ARG 33 N -0.66 0.90 -0.12 2.79 1.81 -0.18 -4.19 118.95 119.29 3nfu s ARG 33 Ca 0.10 -1.25 0.02 0.00 -1.72 0.00 0.00 55.73 52.88 3nfu s ARG 33 Cb -0.11 0.28 -0.00 0.00 -0.45 0.00 0.00 34.95 34.67 3nfu s ARG 33 CO 0.00 -0.27 -0.20 0.00 -0.68 0.00 0.00 175.30 174.15 3nfu s VAL 35 N 0.47 3.90 -0.20 0.00 1.01 0.54 -1.16 120.40 124.96 3nfu s VAL 35 Ca -0.14 -0.35 -0.06 0.00 0.00 0.00 0.00 61.98 61.43 3nfu s VAL 35 Cb -0.17 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 3nfu s VAL 35 CO 0.06 0.49 0.02 -0.22 0.00 0.00 0.00 175.10 175.45 3nfu s LEU 36 N 0.39 3.43 -0.20 3.92 2.96 -0.10 0.74 118.68 129.82 3nfu s LEU 36 Ca -0.04 -0.12 -0.03 0.00 -0.22 0.00 0.00 54.13 53.72 3nfu s LEU 36 Cb -0.14 -1.87 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 3nfu s LEU 36 CO 0.03 0.09 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.39 3nfu s VAL 37 N 0.87 3.26 0.05 1.68 1.01 0.80 -1.94 120.40 126.12 3nfu s VAL 37 Ca 0.02 -0.55 0.08 0.00 0.00 0.00 0.00 61.98 61.53 3nfu s VAL 37 Cb -0.14 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 3nfu s VAL 37 CO 0.02 0.45 -0.20 -0.76 0.00 0.00 0.00 175.10 174.61 3nfu s LEU 38 N 1.18 2.49 -0.02 3.92 1.43 0.00 -0.64 118.68 127.04 3nfu s LEU 38 Ca 0.02 -0.48 0.04 0.00 -1.03 0.00 0.00 54.13 52.67 3nfu s LEU 38 Cb -0.14 -1.45 -0.00 0.00 0.03 0.00 0.00 46.19 44.62 3nfu s LEU 38 CO -0.02 0.25 -0.13 -0.70 0.23 0.00 0.00 176.35 175.99 3nfu s GLU 39 N -1.43 1.18 0.55 1.70 2.12 0.08 -0.98 118.70 121.92 3nfu s GLU 39 Ca 0.14 -0.44 0.05 0.00 0.36 0.00 0.00 54.97 55.08 3nfu s GLU 39 Cb -0.10 -1.09 0.05 0.00 0.26 0.00 0.00 34.13 33.24 3nfu s GLU 39 CO 0.05 0.21 0.40 -0.40 -0.54 0.00 0.00 175.26 174.98 3nfu n ASP 40 N 3.03 2.77 0.22 -1.70 5.68 -0.83 -0.20 116.55 125.51 3nfu n ASP 40 Ca -0.16 -2.89 0.06 0.00 -0.50 0.00 0.00 54.79 51.29 3nfu n ASP 40 Cb 0.54 -0.03 0.48 0.00 -1.14 0.00 0.00 41.12 40.98 3nfu n ASP 40 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3nfu h GLU 41 N 0.00 0.00 0.00 0.11 5.08 -1.62 -1.87 114.58 116.28 3nfu h GLU 41 Ca -0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 3nfu h GLU 41 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3nfu h GLU 41 CO 0.55 0.25 0.00 -1.13 -1.00 0.00 0.00 179.01 177.68 3nfu n SER 42 N -4.09 0.00 0.00 1.42 3.41 -1.26 -4.90 113.62 108.20 3nfu n SER 42 Ca -0.02 -0.47 0.00 0.00 -0.26 0.00 0.00 58.87 58.12 3nfu n SER 42 Cb 0.31 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 3nfu n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3nfu n GLY 43 N 1.09 1.80 3.71 5.00 0.00 -0.70 -5.07 105.19 111.01 3nfu n GLY 43 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 3nfu n GLY 43 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3nfu n ASN 44 N 0.00 1.81 -4.25 1.61 3.02 -1.26 -4.78 115.26 111.41 3nfu n ASN 44 Ca 0.00 0.79 -0.29 0.00 -0.03 0.00 0.00 54.58 55.06 3nfu n ASN 44 Cb 0.00 -1.54 -0.16 0.00 -0.61 0.00 0.00 39.78 37.48 3nfu n ASN 44 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3nfu s ARG 45 N -3.41 1.85 0.04 3.52 0.52 -1.26 -1.96 118.95 118.24 3nfu s ARG 45 Ca 0.81 -0.81 0.08 0.00 -0.52 0.00 0.00 55.73 55.29 3nfu s ARG 45 Cb -0.37 -1.78 -0.02 0.00 0.52 0.00 0.00 34.95 33.30 3nfu s ARG 45 CO 0.42 0.48 -0.22 0.20 0.02 0.00 0.00 175.30 176.20 3nfu s GLY 46 N -0.51 1.17 0.19 -3.53 0.00 -0.16 -4.72 107.32 99.76 3nfu s GLY 46 Ca 0.08 -1.08 0.07 0.00 0.00 0.00 0.00 44.72 43.79 3nfu s GLY 46 CO -0.01 -0.99 -0.14 -1.34 0.00 0.00 0.00 173.10 170.62 3nfu s VAL 47 N -0.77 1.65 0.00 1.40 -7.23 -1.26 -0.82 120.40 113.37 3nfu s VAL 47 Ca 0.08 -2.13 -0.09 0.00 -1.81 0.00 0.00 61.98 58.03 3nfu s VAL 47 Cb -0.09 -1.96 0.01 0.00 0.56 0.00 0.00 36.38 34.89 3nfu s VAL 47 CO 0.02 -0.58 0.18 -0.83 -0.31 0.00 0.00 175.10 173.58 3nfu s GLY 48 N -3.17 0.01 -0.00 2.32 0.00 -0.82 -2.57 107.32 103.08 3nfu s GLY 48 Ca 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 44.72 44.86 3nfu s GLY 48 CO 0.06 -0.22 -0.00 1.85 0.00 0.00 0.00 173.10 174.78 3nfu s GLU 49 N -1.51 0.05 0.18 2.90 2.12 -1.26 -0.93 118.70 120.26 3nfu s GLU 49 Ca -0.13 -0.01 -0.11 0.00 0.36 0.00 0.00 54.97 55.08 3nfu s GLU 49 Cb -0.06 -0.08 0.00 0.00 0.26 0.00 0.00 34.13 34.25 3nfu s GLU 49 CO 0.02 -0.00 0.37 0.96 -0.54 0.00 0.00 175.26 176.06 3nfu s ILE 50 N 0.09 0.05 0.98 -3.70 -4.36 -0.31 -4.74 121.20 109.20 3nfu s ILE 50 Ca -0.01 -1.25 -0.13 0.00 -0.26 0.00 0.00 60.65 59.00 3nfu s ILE 50 Cb -0.01 -1.84 0.09 0.00 1.25 0.00 0.00 42.46 41.94 3nfu s ILE 50 CO -0.00 -0.21 0.56 -2.65 0.24 0.00 0.00 174.94 172.88 3nfu n PRO 51 N -0.27 -0.66 -4.11 0.37 -0.02 -1.26 -0.19 135.00 128.86 3nfu n PRO 51 Ca -0.07 -0.15 -0.14 0.00 -2.02 0.00 0.00 63.50 61.12 3nfu n PRO 51 Cb 0.63 -1.97 -0.11 0.00 -0.02 0.00 0.00 33.50 32.02 3nfu n PRO 51 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3nfu s SER 52 N -2.16 1.13 0.09 2.55 0.15 -1.26 -4.10 113.70 110.10 3nfu s SER 52 Ca 0.60 -0.65 -0.26 0.00 0.70 0.00 0.00 55.95 56.34 3nfu s SER 52 Cb -0.21 0.02 0.08 0.00 -1.71 0.00 0.00 66.02 64.21 3nfu s SER 52 CO 0.65 -0.21 0.89 -0.94 1.20 0.00 0.00 173.24 174.83 3nfu s SER 53 N -1.88 -0.29 0.18 5.45 1.04 -1.23 -4.53 113.70 112.43 3nfu s SER 53 Ca -0.04 -0.20 -0.14 0.00 0.48 0.00 0.00 55.95 56.05 3nfu s SER 53 Cb -0.07 0.46 0.17 0.00 0.10 0.00 0.00 66.02 66.67 3nfu s SER 53 CO 0.00 -0.80 1.68 -0.33 0.98 0.00 0.00 173.24 174.77 3nfu h GLU 54 N 2.00 0.08 -0.58 4.02 5.08 -2.00 -1.04 114.58 122.13 3nfu h GLU 54 Ca -0.24 -0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.21 3nfu h GLU 54 Cb 1.24 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 30.40 3nfu h GLU 54 CO 0.29 0.05 0.18 0.78 -1.00 0.00 0.00 179.01 179.31 3nfu h GLY 55 N 0.08 0.78 0.92 -3.84 0.00 -1.96 0.40 103.07 99.46 3nfu h GLY 55 Ca 0.24 -0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 3nfu h GLY 55 CO -0.43 -0.05 0.08 -2.22 0.00 0.00 0.00 176.54 173.92 3nfu h ILE 56 N 0.34 1.12 -0.84 2.60 2.04 -1.72 -0.45 117.51 120.59 3nfu h ILE 56 Ca 0.30 -0.33 0.01 0.00 1.00 0.00 0.00 64.86 65.84 3nfu h ILE 56 Cb 0.39 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 3nfu h ILE 56 CO -0.33 0.11 0.55 -0.07 0.00 0.00 0.00 178.15 178.41 3nfu h LEU 57 N 0.15 0.95 -0.42 1.44 3.38 -0.79 -1.81 115.31 118.21 3nfu h LEU 57 Ca 0.06 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 3nfu h LEU 57 Cb 0.10 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3nfu h LEU 57 CO -0.01 0.68 -0.02 0.78 0.09 0.00 0.00 178.44 179.96 3nfu h ASN 58 N 1.12 0.74 -0.95 -0.43 2.35 -0.67 -2.00 115.58 115.74 3nfu h ASN 58 Ca 0.31 -0.32 0.02 0.00 -0.55 0.00 0.00 56.30 55.76 3nfu h ASN 58 Cb -0.10 -0.20 -0.05 0.00 0.05 0.00 0.00 38.32 38.02 3nfu h ASN 58 CO -0.08 0.88 0.63 1.23 -1.65 0.00 0.00 177.43 178.44 3nfu h GLY 59 N 0.58 1.34 0.98 2.83 0.00 -0.91 0.98 103.07 108.88 3nfu h GLY 59 Ca 0.12 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 3nfu h GLY 59 CO 0.03 0.46 0.16 1.41 0.00 0.00 0.00 176.54 178.60 3nfu h LEU 60 N 1.26 0.77 -1.13 3.11 3.38 -1.14 -2.38 115.31 119.17 3nfu h LEU 60 Ca 0.36 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 58.13 3nfu h LEU 60 Cb -0.10 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.40 3nfu h LEU 60 CO -0.09 0.77 0.59 -0.33 0.09 0.00 0.00 178.44 179.47 3nfu h GLU 61 N 0.72 1.16 -0.51 1.13 4.39 -0.57 -1.88 114.58 119.02 3nfu h GLU 61 Ca 0.17 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.78 3nfu h GLU 61 Cb 0.28 -0.26 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 3nfu h GLU 61 CO -0.01 0.77 0.23 0.87 -1.16 0.00 0.00 179.01 179.71 3nfu h LYS 62 N 1.20 0.72 -0.00 2.33 1.57 -0.66 -2.99 116.57 118.74 3nfu h LYS 62 Ca 0.33 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 3nfu h LYS 62 Cb -0.13 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.04 3nfu h LYS 62 CO -0.07 0.58 -0.31 0.00 -0.57 0.00 0.00 179.45 179.08 3nfu h ARG 64 N 0.09 0.07 0.00 0.00 2.43 -1.21 -1.26 114.38 114.49 3nfu h ARG 64 Ca 0.00 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3nfu h ARG 64 Cb 0.49 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.02 3nfu h ARG 64 CO 0.00 0.05 -0.02 0.66 -1.51 0.00 0.00 179.97 179.15 3nfu h SER 65 N 0.07 0.00 0.68 -3.80 4.64 -1.82 0.41 113.55 113.74 3nfu h SER 65 Ca 0.41 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.59 3nfu h SER 65 Cb 0.70 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.77 3nfu h SER 65 CO -0.70 0.02 -0.66 -0.07 -0.87 0.00 0.00 176.83 174.55 3nfu h LEU 66 N 0.00 0.00 0.00 5.97 3.38 -1.54 -3.39 115.31 119.73 3nfu h LEU 66 Ca -0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 3nfu h LEU 66 Cb 0.70 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 3nfu h LEU 66 CO 0.00 0.66 -1.13 0.52 0.09 0.00 0.00 178.44 178.58 3nfu n VAL 67 N -3.73 1.50 -1.67 1.22 0.31 -0.68 -4.49 118.33 110.79 3nfu n VAL 67 Ca -0.01 0.02 -0.46 0.00 -0.01 0.00 0.00 64.34 63.88 3nfu n VAL 67 Cb 0.66 -2.13 -0.04 0.00 -0.91 0.00 0.00 33.84 31.41 3nfu n VAL 67 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3nfu n GLU 68 N -4.47 2.21 -0.98 5.55 1.02 0.05 -1.76 120.64 122.25 3nfu n GLU 68 Ca -0.26 0.80 0.00 0.00 -0.02 0.00 0.00 57.16 57.68 3nfu n GLU 68 Cb 0.58 -2.60 0.00 0.00 -0.02 0.00 0.00 31.44 29.40 3nfu n GLU 68 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3nfu n GLY 69 N 3.71 0.50 3.81 0.62 0.00 -0.18 -4.86 105.19 108.79 3nfu n GLY 69 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 3nfu n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3nfu s ALA 70 N -2.18 3.28 0.14 4.61 0.00 -0.73 -4.69 121.76 122.20 3nfu s ALA 70 Ca 0.00 0.29 -0.29 0.00 0.00 0.00 0.00 51.96 51.96 3nfu s ALA 70 Cb 0.00 -2.97 -0.07 0.00 0.00 0.00 0.00 23.12 20.08 3nfu s ALA 70 CO 0.00 0.25 0.91 1.03 0.00 0.00 0.00 175.76 177.96 3nfu s ARG 71 N -2.36 4.71 0.51 0.00 0.52 -1.26 -0.75 118.95 120.31 3nfu s ARG 71 Ca 0.50 1.39 0.18 0.00 -0.52 0.00 0.00 55.73 57.28 3nfu s ARG 71 Cb -0.15 -3.34 1.25 0.00 0.52 0.00 0.00 34.95 33.23 3nfu s ARG 71 CO 0.20 0.34 2.08 -0.39 0.02 0.00 0.00 175.30 177.55 3nfu h VAL 72 N 3.73 0.92 0.00 3.52 -1.51 -1.68 0.29 116.25 121.52 3nfu h VAL 72 Ca -0.44 -0.03 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 3nfu h VAL 72 Cb 1.21 0.82 0.00 0.00 -2.13 0.00 0.00 31.29 31.19 3nfu h VAL 72 CO 0.70 0.02 0.00 -0.55 -1.23 0.00 0.00 177.57 176.51 3nfu h ASN 73 N 0.09 0.00 -0.29 4.19 -1.07 -1.91 -3.12 115.58 113.46 3nfu h ASN 73 Ca 0.12 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.46 3nfu h ASN 73 Cb 0.35 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.58 3nfu h ASN 73 CO -0.01 0.00 0.03 -0.62 0.07 0.00 0.00 177.43 176.90 3nfu n GLU 74 N -2.60 2.75 -0.23 4.14 1.02 0.09 -4.59 120.64 121.23 3nfu n GLU 74 Ca 0.02 -1.50 0.03 0.00 -0.02 0.00 0.00 57.16 55.69 3nfu n GLU 74 Cb 0.31 -1.84 0.14 0.00 -0.02 0.00 0.00 31.44 30.03 3nfu n GLU 74 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 3nfu h VAL 75 N 1.77 0.67 -0.72 2.62 3.04 -1.70 -0.70 116.25 121.24 3nfu h VAL 75 Ca 0.03 -0.13 -0.05 0.00 -1.01 0.00 0.00 66.70 65.55 3nfu h VAL 75 Cb 1.28 0.27 -0.03 0.00 -2.01 0.00 0.00 31.29 30.80 3nfu h VAL 75 CO 0.27 0.07 0.26 0.11 -1.01 0.00 0.00 177.57 177.26 3nfu h LYS 76 N 0.36 1.08 -0.54 4.17 1.57 -1.91 -0.21 116.57 121.10 3nfu h LYS 76 Ca 0.36 -0.20 -0.11 0.00 -1.87 0.00 0.00 60.65 58.83 3nfu h LYS 76 Cb 0.52 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 3nfu h LYS 76 CO -0.39 0.90 -0.08 1.96 -0.57 0.00 0.00 179.45 181.27 3nfu h GLN 77 N 1.05 1.00 0.00 3.15 1.08 -1.69 -0.46 115.11 119.25 3nfu h GLN 77 Ca 0.24 -0.36 -0.00 0.00 -1.45 0.00 0.00 58.65 57.08 3nfu h GLN 77 Cb 0.24 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 3nfu h GLN 77 CO -0.02 1.04 -0.00 0.28 -0.95 0.00 0.00 178.83 179.19 3nfu h VAL 78 N 0.88 1.06 -0.65 -0.54 2.07 -0.73 0.97 116.25 119.32 3nfu h VAL 78 Ca 0.14 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 3nfu h VAL 78 Cb 0.64 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 3nfu h VAL 78 CO 0.04 0.05 0.30 -0.07 0.02 0.00 0.00 177.57 177.91 3nfu h LEU 79 N -0.08 0.83 -0.39 2.57 3.38 -1.04 0.12 115.31 120.69 3nfu h LEU 79 Ca -0.00 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3nfu h LEU 79 Cb 0.08 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3nfu h LEU 79 CO 0.00 0.71 0.16 -1.28 0.09 0.00 0.00 178.44 178.12 3nfu h SER 80 N 0.91 0.54 -0.60 -0.43 0.87 -0.79 -0.02 113.55 114.03 3nfu h SER 80 Ca 0.22 -0.16 -0.07 0.00 -1.23 0.00 0.00 61.79 60.55 3nfu h SER 80 Cb 0.11 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.90 3nfu h SER 80 CO -0.03 0.56 0.13 0.03 -0.53 0.00 0.00 176.83 176.99 3nfu h ARG 81 N 0.49 1.01 -0.06 2.24 3.08 -0.45 -2.10 114.38 118.59 3nfu h ARG 81 Ca 0.13 -0.24 -0.12 0.00 0.07 0.00 0.00 59.98 59.82 3nfu h ARG 81 Cb 0.18 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3nfu h ARG 81 CO -0.01 0.91 -0.52 0.00 -1.07 0.00 0.00 179.97 179.28 3nfu h ALA 82 N 1.18 1.00 -0.34 0.04 0.00 -0.58 -1.35 119.26 119.20 3nfu h ALA 82 Ca 0.20 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 3nfu h ALA 82 Cb 0.38 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3nfu h ALA 82 CO 0.01 0.67 0.04 0.00 0.00 0.00 0.00 179.25 179.97 3nfu h ARG 83 N 0.14 0.58 -0.60 0.00 3.08 -0.78 -2.20 114.38 114.60 3nfu h ARG 83 Ca 0.00 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 3nfu h ARG 83 Cb 0.97 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.93 3nfu h ARG 83 CO 0.08 0.67 0.30 0.78 -1.07 0.00 0.00 179.97 180.72 3nfu h GLY 84 N 0.40 0.92 0.88 0.04 0.00 -1.15 -0.89 103.07 103.28 3nfu h GLY 84 Ca 0.10 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 3nfu h GLY 84 CO 0.01 0.43 0.07 -2.00 0.00 0.00 0.00 176.54 175.05 3nfu h LEU 85 N 0.82 0.28 -1.25 3.11 5.85 -1.25 -3.11 115.31 119.76 3nfu h LEU 85 Ca 0.21 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3nfu h LEU 85 Cb 0.10 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 3nfu h LEU 85 CO -0.03 0.38 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.32 3nfu h LEU 86 N 0.15 0.00 -1.75 2.25 3.38 -1.31 -2.93 115.31 115.10 3nfu h LEU 86 Ca 0.06 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3nfu h LEU 86 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3nfu h LEU 86 CO -0.00 0.07 -0.17 0.00 0.09 0.00 0.00 178.44 178.43 3nfu h ALA 87 N 1.93 1.43 0.00 1.53 0.00 -1.08 -3.15 119.26 119.91 3nfu h ALA 87 Ca -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3nfu h ALA 87 Cb 0.62 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3nfu h ALA 87 CO 0.01 0.21 -0.04 1.96 0.00 0.00 0.00 179.25 181.38 3nfu h GLN 88 N 0.00 0.00 0.00 0.00 4.20 -1.58 -0.50 115.11 117.23 3nfu h GLN 88 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3nfu h GLN 88 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 3nfu h GLN 88 CO 0.02 0.04 0.00 0.41 -0.67 0.00 0.00 178.83 178.64 3nfu n GLY 89 N -0.82 -0.97 0.00 3.46 0.00 -1.19 -5.03 105.19 100.64 3nfu n GLY 89 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3nfu n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nfu n GLY 90 N 0.84 -0.00 3.83 -0.02 0.00 -0.20 -4.99 105.19 104.65 3nfu n GLY 90 Ca 0.19 -1.94 -0.31 0.00 0.00 0.00 0.00 46.02 43.96 3nfu n GLY 90 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3nfu s PRO 91 N -1.15 3.10 0.05 1.61 0.04 -1.26 -4.82 135.00 132.57 3nfu s PRO 91 Ca 0.00 0.94 -0.01 0.00 0.04 0.00 0.00 61.00 61.97 3nfu s PRO 91 Cb 0.00 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 3nfu s PRO 91 CO 0.00 -0.97 -0.03 -1.83 0.04 0.00 0.00 177.00 174.21 3nfu s GLU 92 N -4.96 0.61 0.01 4.56 -1.05 -1.26 -5.17 118.70 111.44 3nfu s GLU 92 Ca 0.58 -1.21 0.02 0.00 -0.15 0.00 0.00 54.97 54.21 3nfu s GLU 92 Cb -0.14 0.20 -0.04 0.00 -0.44 0.00 0.00 34.13 33.72 3nfu s GLU 92 CO 0.53 -0.11 -0.02 -2.00 0.95 0.00 0.00 175.26 174.61 3nfu s GLU 93 N -3.87 2.69 0.09 -4.83 2.12 -1.26 -4.99 118.70 108.65 3nfu s GLU 93 Ca 0.07 -0.67 -0.21 0.00 0.36 0.00 0.00 54.97 54.52 3nfu s GLU 93 Cb 0.08 -2.61 -0.10 0.00 0.26 0.00 0.00 34.13 31.76 3nfu s GLU 93 CO -0.10 0.61 1.65 -0.09 -0.54 0.00 0.00 175.26 176.79 3nfu h ARG 94 N 4.27 0.24 0.00 4.30 2.43 -1.98 -3.27 114.38 120.37 3nfu h ARG 94 Ca -0.49 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 3nfu h ARG 94 Cb 1.17 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 3nfu h ARG 94 CO 0.57 0.30 0.00 0.41 -1.51 0.00 0.00 179.97 179.73 3nfu n GLY 95 N -0.77 -1.97 0.12 2.80 0.00 -1.26 -1.56 105.19 102.56 3nfu n GLY 95 Ca -0.04 -1.85 0.07 0.00 0.00 0.00 0.00 46.02 44.20 3nfu n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3nfu n ARG 96 N -0.03 1.84 -1.21 1.61 5.12 -1.26 -4.99 116.66 117.75 3nfu n ARG 96 Ca 0.00 -0.27 -0.29 0.00 -1.93 0.00 0.00 57.85 55.35 3nfu n ARG 96 Cb 0.00 -1.24 0.21 0.00 -1.16 0.00 0.00 32.46 30.27 3nfu n ARG 96 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3nfu s GLN 97 N -2.27 -0.44 0.51 5.56 -1.52 -1.26 -4.89 119.66 115.34 3nfu s GLN 97 Ca 0.08 0.10 0.30 0.00 -1.95 0.00 0.00 55.36 53.89 3nfu s GLN 97 Cb 0.12 -1.67 1.24 0.00 -0.22 0.00 0.00 33.01 32.48 3nfu s GLN 97 CO 0.56 -3.22 1.95 1.79 -0.25 0.00 0.00 175.29 176.11 3nfu h THR 98 N -2.23 0.26 -1.77 -0.19 1.35 -1.95 -3.45 112.91 104.93 3nfu h THR 98 Ca -0.48 -0.73 -0.51 0.00 -0.55 0.00 0.00 66.41 64.14 3nfu h THR 98 Cb 1.30 1.58 -0.05 0.00 -1.73 0.00 0.00 68.15 69.25 3nfu h THR 98 CO 0.44 0.09 -0.46 0.72 -0.25 0.00 0.00 175.52 176.06 3nfu s PHE 99 N -3.73 2.79 -0.15 4.73 -0.12 -1.26 -5.02 117.98 115.22 3nfu s PHE 99 Ca 0.00 -0.38 -0.18 0.00 -0.05 0.00 0.00 56.93 56.32 3nfu s PHE 99 Cb 0.10 -1.84 -0.04 0.00 -0.63 0.00 0.00 43.02 40.61 3nfu s PHE 99 CO 0.58 0.17 0.48 0.34 -0.05 0.00 0.00 175.22 176.73 3nfu s ASP 100 N -3.97 6.62 0.00 1.98 -1.08 -1.26 -4.85 116.67 114.10 3nfu s ASP 100 Ca 0.41 0.74 0.24 0.00 -0.52 0.00 0.00 52.55 53.42 3nfu s ASP 100 Cb -0.04 -2.28 0.63 0.00 -1.46 0.00 0.00 42.92 39.77 3nfu s ASP 100 CO 0.25 -0.06 1.50 0.18 0.52 0.00 0.00 175.17 177.57 3nfu n LEU 101 N 4.08 2.32 -4.72 -1.34 4.77 -0.60 -4.97 117.00 116.54 3nfu n LEU 101 Ca -0.07 -0.88 -0.30 0.00 -0.03 0.00 0.00 56.01 54.73 3nfu n LEU 101 Cb 0.51 -0.08 0.13 0.00 -2.33 0.00 0.00 43.42 41.65 3nfu n LEU 101 CO 0.42 0.44 0.68 -0.13 -1.33 0.00 0.00 177.39 177.47 3nfu s ARG 102 N -1.84 1.52 0.02 3.23 0.52 -1.23 -4.90 118.95 116.27 3nfu s ARG 102 Ca 0.34 1.12 -0.04 0.00 -0.52 0.00 0.00 55.73 56.63 3nfu s ARG 102 Cb 0.20 -1.82 -0.02 0.00 0.52 0.00 0.00 34.95 33.84 3nfu s ARG 102 CO 0.30 -2.14 -0.09 0.28 0.02 0.00 0.00 175.30 173.67 3nfu n VAL 103 N -3.86 1.20 -0.26 3.52 0.31 -1.26 -4.75 118.33 113.23 3nfu n VAL 103 Ca 0.09 0.30 0.01 0.00 -0.01 0.00 0.00 64.34 64.72 3nfu n VAL 103 Cb 0.54 -1.76 0.14 0.00 -0.91 0.00 0.00 33.84 31.85 3nfu n VAL 103 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3nfu h ALA 104 N -0.24 1.03 -0.67 3.52 0.00 -1.95 -2.30 119.26 118.64 3nfu h ALA 104 Ca -0.02 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3nfu h ALA 104 Cb 0.34 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3nfu h ALA 104 CO -0.01 0.04 0.21 -0.39 0.00 0.00 0.00 179.25 179.10 3nfu h VAL 105 N 0.71 1.24 -0.14 0.00 -1.51 -1.89 -1.37 116.25 113.29 3nfu h VAL 105 Ca 0.35 -0.84 -0.01 0.00 -1.23 0.00 0.00 66.70 64.97 3nfu h VAL 105 Cb 0.30 0.51 -0.01 0.00 -2.13 0.00 0.00 31.29 29.96 3nfu h VAL 105 CO -0.23 0.33 0.05 0.45 -1.23 0.00 0.00 177.57 176.94 3nfu h HIS 106 N 0.98 0.21 -0.33 5.19 3.86 -1.52 -2.24 115.15 121.31 3nfu h HIS 106 Ca 0.22 -0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.44 3nfu h HIS 106 Cb 0.27 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 28.65 3nfu h HIS 106 CO 0.02 0.30 0.13 0.28 0.86 0.00 0.00 177.93 179.52 3nfu h VAL 107 N 0.07 0.93 -0.61 2.45 2.07 -1.04 -1.48 116.25 118.64 3nfu h VAL 107 Ca 0.05 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.53 3nfu h VAL 107 Cb 0.17 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 30.51 3nfu h VAL 107 CO -0.00 0.05 0.31 0.40 0.02 0.00 0.00 177.57 178.35 3nfu h ILE 108 N 0.29 0.92 -0.59 4.57 1.08 -1.27 -2.62 117.51 119.88 3nfu h ILE 108 Ca 0.15 -0.19 0.02 0.00 -0.39 0.00 0.00 64.86 64.44 3nfu h ILE 108 Cb 0.10 0.30 -0.03 0.00 -3.07 0.00 0.00 36.82 34.11 3nfu h ILE 108 CO -0.13 0.10 0.38 0.74 -0.69 0.00 0.00 178.15 178.55 3nfu h THR 109 N 0.57 1.11 -0.10 -0.27 2.02 -0.72 0.17 112.91 115.69 3nfu h THR 109 Ca 0.28 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.20 3nfu h THR 109 Cb 0.22 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 3nfu h THR 109 CO -0.20 0.14 0.06 0.00 0.37 0.00 0.00 175.52 175.89 3nfu h ALA 110 N 1.24 0.13 -0.61 6.16 0.00 -0.97 0.12 119.26 125.32 3nfu h ALA 110 Ca 0.23 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3nfu h ALA 110 Cb -0.04 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3nfu h ALA 110 CO -0.07 -0.37 0.25 0.82 0.00 0.00 0.00 179.25 179.87 3nfu h ILE 111 N 0.12 1.23 0.15 0.00 2.04 -1.19 -2.58 117.51 117.27 3nfu h ILE 111 Ca 0.04 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.18 3nfu h ILE 111 Cb 0.01 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 3nfu h ILE 111 CO -0.01 0.28 -0.12 -0.08 0.00 0.00 0.00 178.15 178.22 3nfu h GLU 112 N 0.86 -0.27 -0.37 2.37 4.81 -0.32 -1.47 114.58 120.18 3nfu h GLU 112 Ca 0.20 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.49 3nfu h GLU 112 Cb 0.20 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 3nfu h GLU 112 CO -0.02 -0.18 0.15 1.03 -0.73 0.00 0.00 179.01 179.27 3nfu h SER 113 N -0.28 0.20 -0.57 1.04 0.87 -0.89 -0.70 113.55 113.22 3nfu h SER 113 Ca -0.00 0.03 -0.11 0.00 -1.23 0.00 0.00 61.79 60.48 3nfu h SER 113 Cb 0.26 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 3nfu h SER 113 CO -0.02 0.15 -0.07 0.00 -0.53 0.00 0.00 176.83 176.37 3nfu h ALA 114 N 1.21 0.78 -0.09 6.23 0.00 -1.18 -0.59 119.26 125.61 3nfu h ALA 114 Ca 0.16 -0.34 -0.21 0.00 0.00 0.00 0.00 54.91 54.53 3nfu h ALA 114 Cb 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3nfu h ALA 114 CO -0.14 0.66 -0.79 -0.07 0.00 0.00 0.00 179.25 178.92 3nfu h LEU 115 N 0.94 0.65 -0.78 0.00 3.38 -1.18 -2.28 115.31 116.04 3nfu h LEU 115 Ca 0.15 -0.44 -0.12 0.00 0.09 0.00 0.00 57.88 57.56 3nfu h LEU 115 Cb 0.63 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3nfu h LEU 115 CO 0.04 1.21 -0.36 -0.26 0.09 0.00 0.00 178.44 179.17 3nfu h PHE 116 N 0.36 0.58 -0.21 1.13 0.04 -0.99 0.19 116.94 118.04 3nfu h PHE 116 Ca -0.05 -0.15 0.00 0.00 2.80 0.00 0.00 57.97 60.57 3nfu h PHE 116 Cb 1.39 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 39.40 3nfu h PHE 116 CO 0.06 0.79 0.14 0.22 -0.60 0.00 0.00 178.31 178.92 3nfu h ASP 117 N 0.42 0.25 -0.35 2.17 3.58 -1.04 0.35 116.42 121.80 3nfu h ASP 117 Ca 0.04 -0.02 -0.17 0.00 0.42 0.00 0.00 57.03 57.31 3nfu h ASP 117 Cb 0.82 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 41.81 3nfu h ASP 117 CO 0.07 0.19 -0.45 -0.07 -2.88 0.00 0.00 179.24 176.10 3nfu h LEU 118 N 0.28 1.00 -0.40 2.28 3.38 -1.25 -1.22 115.31 119.39 3nfu h LEU 118 Ca 0.08 -0.49 -0.06 0.00 0.09 0.00 0.00 57.88 57.50 3nfu h LEU 118 Cb -0.02 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 3nfu h LEU 118 CO -0.02 1.29 0.02 0.15 0.09 0.00 0.00 178.44 179.98 3nfu h PHE 119 N 0.72 0.74 -0.39 1.13 3.57 -0.45 0.35 116.94 122.61 3nfu h PHE 119 Ca 0.04 -0.12 0.07 0.00 3.53 0.00 0.00 57.97 61.49 3nfu h PHE 119 Cb 1.05 -0.20 -0.06 0.00 2.79 0.00 0.00 35.95 39.53 3nfu h PHE 119 CO 0.07 0.75 -0.00 0.78 -2.23 0.00 0.00 178.31 177.68 3nfu h GLY 120 N 0.52 0.39 0.94 2.40 0.00 -0.29 -0.64 103.07 106.38 3nfu h GLY 120 Ca 0.12 0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.51 3nfu h GLY 120 CO 0.02 -0.10 0.30 1.46 0.00 0.00 0.00 176.54 178.22 3nfu h GLN 121 N 0.10 0.59 -0.58 4.80 4.20 -0.87 0.11 115.11 123.47 3nfu h GLN 121 Ca 0.19 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.89 3nfu h GLN 121 Cb 0.27 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 3nfu h GLN 121 CO -0.33 0.39 0.38 0.00 -0.67 0.00 0.00 178.83 178.61 3nfu h ALA 122 N 1.20 1.64 0.00 3.87 0.00 -0.64 -2.72 119.26 122.61 3nfu h ALA 122 Ca 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3nfu h ALA 122 Cb -0.03 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.55 3nfu h ALA 122 CO -0.06 0.31 -0.54 1.28 0.00 0.00 0.00 179.25 180.24 3nfu n LEU 123 N -4.46 0.60 -1.64 0.00 4.77 -0.27 -4.94 117.00 111.06 3nfu n LEU 123 Ca 0.06 0.18 -0.13 0.00 -0.03 0.00 0.00 56.01 56.09 3nfu n LEU 123 Cb 0.09 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 3nfu n LEU 123 CO 0.35 -0.00 -0.10 0.61 -1.33 0.00 0.00 177.39 176.92 3nfu n GLY 124 N 1.39 -0.12 3.20 -0.72 0.00 0.18 -5.04 105.19 104.09 3nfu n GLY 124 Ca 0.04 -0.30 -0.28 0.00 0.00 0.00 0.00 46.02 45.48 3nfu n GLY 124 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3nfu s MET 125 N -4.87 2.06 0.59 1.61 1.00 -0.04 -4.63 119.30 115.02 3nfu s MET 125 Ca 0.07 -0.74 -0.20 0.00 0.00 0.00 0.00 55.69 54.82 3nfu s MET 125 Cb -0.03 -1.80 -0.03 0.00 0.00 0.00 0.00 34.83 32.97 3nfu s MET 125 CO 0.09 0.33 1.28 -2.14 0.00 0.00 0.00 175.02 174.58 3nfu s PRO 126 N -0.13 2.91 0.18 2.03 0.02 -1.22 -0.12 135.00 138.68 3nfu s PRO 126 Ca -0.02 2.02 -0.13 0.00 0.02 0.00 0.00 61.00 62.89 3nfu s PRO 126 Cb -0.12 -2.01 0.16 0.00 0.02 0.00 0.00 34.50 32.54 3nfu s PRO 126 CO 0.02 -1.30 1.77 0.28 -0.33 0.00 0.00 177.00 177.44 3nfu h VAL 127 N 0.97 0.91 -0.95 3.83 2.07 -1.55 -2.22 116.25 119.31 3nfu h VAL 127 Ca -0.51 -0.15 0.27 0.00 0.82 0.00 0.00 66.70 67.13 3nfu h VAL 127 Cb 1.31 0.42 -0.14 0.00 -1.52 0.00 0.00 31.29 31.36 3nfu h VAL 127 CO 0.55 0.08 0.42 0.00 0.02 0.00 0.00 177.57 178.65 3nfu h ALA 128 N 1.30 1.63 0.00 1.67 0.00 -1.86 0.18 119.26 122.18 3nfu h ALA 128 Ca 0.23 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3nfu h ALA 128 Cb 0.19 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3nfu h ALA 128 CO -0.19 -0.48 0.00 -0.44 0.00 0.00 0.00 179.25 178.14 3nfu h ASP 129 N 0.31 0.00 0.00 0.00 5.19 -1.73 -2.70 116.42 117.49 3nfu h ASP 129 Ca 0.64 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.05 3nfu h ASP 129 Cb 1.36 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.87 3nfu h ASP 129 CO -0.61 0.00 -1.02 0.18 -3.12 0.00 0.00 179.24 174.68 3nfu n LEU 130 N -2.36 0.92 -4.86 1.55 4.77 0.61 -4.54 117.00 113.10 3nfu n LEU 130 Ca 0.02 -0.48 -0.36 0.00 -0.03 0.00 0.00 56.01 55.16 3nfu n LEU 130 Cb 0.22 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.26 3nfu n LEU 130 CO 0.20 0.23 0.09 -0.76 -1.33 0.00 0.00 177.39 175.82 3nfu s LEU 131 N -3.04 4.39 0.00 2.23 1.43 -1.02 -4.93 118.68 117.74 3nfu s LEU 131 Ca 0.07 0.86 0.00 0.00 -1.03 0.00 0.00 54.13 54.03 3nfu s LEU 131 Cb 0.15 -2.84 0.00 0.00 0.03 0.00 0.00 46.19 43.54 3nfu s LEU 131 CO 0.84 0.23 0.00 0.61 0.23 0.00 0.00 176.35 178.26 3nfu n GLY 132 N 1.24 -0.84 0.18 -3.19 0.00 -1.26 -2.02 105.19 99.30 3nfu n GLY 132 Ca -0.10 -1.07 0.10 0.00 0.00 0.00 0.00 46.02 44.94 3nfu n GLY 132 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3nfu h GLN 133 N 0.00 0.00 0.00 1.61 4.20 -1.92 -3.37 115.11 115.62 3nfu h GLN 133 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3nfu h GLN 133 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3nfu h GLN 133 CO 0.00 0.10 -0.65 0.66 -0.67 0.00 0.00 178.83 178.27 3nfu n TYR 134 N -3.02 0.00 -4.71 2.96 4.01 -1.26 -5.10 117.16 110.04 3nfu n TYR 134 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 3nfu n TYR 134 Cb 0.59 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 3nfu n TYR 134 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3nfu n GLY 135 N 1.46 0.51 3.66 2.72 0.00 -0.86 -4.73 105.19 107.96 3nfu n GLY 135 Ca 0.00 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 3nfu n GLY 135 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3nfu s ARG 136 N 0.00 4.17 -0.00 1.61 3.52 -1.20 -4.29 118.95 122.75 3nfu s ARG 136 Ca 0.00 2.38 0.10 0.00 -0.13 0.00 0.00 55.73 58.08 3nfu s ARG 136 Cb 0.00 -4.00 -0.13 0.00 -1.56 0.00 0.00 34.95 29.26 3nfu s ARG 136 CO 0.00 -0.88 0.37 1.04 -0.81 0.00 0.00 175.30 175.02 3nfu n GLN 137 N 7.08 2.63 -3.60 5.12 1.13 0.22 -4.98 117.38 124.98 3nfu n GLN 137 Ca 0.18 -0.03 -0.12 0.00 -1.94 0.00 0.00 57.00 55.09 3nfu n GLN 137 Cb 0.42 -1.06 -0.05 0.00 0.11 0.00 0.00 30.24 29.66 3nfu n GLN 137 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 3nfu s ARG 138 N -2.19 1.05 0.00 -1.09 1.70 -1.15 -5.00 118.95 112.27 3nfu s ARG 138 Ca 0.01 -0.49 0.16 0.00 -0.47 0.00 0.00 55.73 54.95 3nfu s ARG 138 Cb 0.07 0.47 -0.17 0.00 -0.57 0.00 0.00 34.95 34.76 3nfu s ARG 138 CO 0.42 -0.40 0.69 -0.25 -1.08 0.00 0.00 175.30 174.69 3nfu n ASP 139 N 0.09 0.81 -3.91 -2.89 8.00 -1.26 -4.83 116.55 112.55 3nfu n ASP 139 Ca -0.17 -0.90 -0.13 0.00 0.71 0.00 0.00 54.79 54.30 3nfu n ASP 139 Cb 0.62 0.97 -0.14 0.00 -0.02 0.00 0.00 41.12 42.55 3nfu n ASP 139 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3nfu s GLU 140 N -2.49 0.15 -0.16 -1.24 2.02 -1.26 -1.19 118.70 114.53 3nfu s GLU 140 Ca 0.07 -0.14 0.02 0.00 0.02 0.00 0.00 54.97 54.94 3nfu s GLU 140 Cb 0.12 -0.10 0.02 0.00 0.10 0.00 0.00 34.13 34.27 3nfu s GLU 140 CO 0.65 0.02 -0.21 0.08 0.02 0.00 0.00 175.26 175.83 3nfu s VAL 141 N -0.23 2.03 0.20 2.63 1.01 0.29 -4.95 120.40 121.39 3nfu s VAL 141 Ca -0.02 -0.94 -0.30 0.00 0.00 0.00 0.00 61.98 60.72 3nfu s VAL 141 Cb -0.02 -1.82 -0.09 0.00 0.00 0.00 0.00 36.38 34.45 3nfu s VAL 141 CO -0.00 0.54 1.24 -1.61 0.00 0.00 0.00 175.10 175.27 3nfu s GLU 142 N 1.09 4.45 0.04 2.72 2.02 -1.26 -0.24 118.70 127.52 3nfu s GLU 142 Ca -0.00 1.96 0.08 0.00 0.02 0.00 0.00 54.97 57.03 3nfu s GLU 142 Cb -0.14 -3.21 -0.03 0.00 0.10 0.00 0.00 34.13 30.85 3nfu s GLU 142 CO -0.08 -0.14 -0.24 0.00 0.02 0.00 0.00 175.26 174.82 3nfu s ALA 143 N -0.12 2.04 0.43 5.21 0.00 0.37 -0.93 121.76 128.76 3nfu s ALA 143 Ca 0.54 -1.17 0.03 0.00 0.00 0.00 0.00 51.96 51.36 3nfu s ALA 143 Cb -0.35 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.35 3nfu s ALA 143 CO 0.39 0.48 0.62 -0.48 0.00 0.00 0.00 175.76 176.77 3nfu s LEU 144 N -1.15 3.67 -0.58 0.00 0.05 -0.60 -4.69 118.68 115.38 3nfu s LEU 144 Ca 0.10 0.02 -0.22 0.00 0.05 0.00 0.00 54.13 54.08 3nfu s LEU 144 Cb -0.09 -2.94 0.06 0.00 -2.05 0.00 0.00 46.19 41.16 3nfu s LEU 144 CO 0.02 -0.72 0.87 -0.83 -0.55 0.00 0.00 176.35 175.14 3nfu s GLY 145 N -4.26 1.49 -0.88 -3.48 0.00 -0.35 -4.44 107.32 95.40 3nfu s GLY 145 Ca 0.50 -1.58 -0.25 0.00 0.00 0.00 0.00 44.72 43.39 3nfu s GLY 145 CO 0.36 1.91 1.38 -0.47 0.00 0.00 0.00 173.10 176.28 3nfu s TYR 146 N 3.65 2.39 0.17 1.90 6.04 -1.26 -2.19 117.35 128.06 3nfu s TYR 146 Ca 0.24 -0.42 -0.20 0.00 0.04 0.00 0.00 57.07 56.72 3nfu s TYR 146 Cb -0.16 -4.65 -0.08 0.00 -1.04 0.00 0.00 41.96 36.04 3nfu s TYR 146 CO 0.14 -2.01 0.68 -0.51 -1.54 0.00 0.00 175.55 172.31 3nfu s LEU 147 N 5.48 4.42 0.03 6.97 1.43 0.08 -4.97 118.68 132.12 3nfu s LEU 147 Ca 0.42 1.38 0.03 0.00 -1.03 0.00 0.00 54.13 54.93 3nfu s LEU 147 Cb -0.04 -3.36 -0.02 0.00 0.03 0.00 0.00 46.19 42.81 3nfu s LEU 147 CO 0.02 0.12 -0.11 -0.36 0.23 0.00 0.00 176.35 176.26 3nfu s PHE 148 N -1.37 0.92 0.40 0.29 0.08 -1.26 -0.78 117.98 116.26 3nfu s PHE 148 Ca 0.38 -0.35 -0.25 0.00 0.12 0.00 0.00 56.93 56.83 3nfu s PHE 148 Cb -0.18 -0.55 -0.08 0.00 -0.57 0.00 0.00 43.02 41.63 3nfu s PHE 148 CO 0.21 -0.01 1.18 -0.51 -0.10 0.00 0.00 175.22 176.00 3nfu s LEU 149 N -1.09 4.20 -0.09 -0.37 1.43 -1.26 -4.93 118.68 116.58 3nfu s LEU 149 Ca -0.02 2.38 0.03 0.00 -1.03 0.00 0.00 54.13 55.49 3nfu s LEU 149 Cb -0.07 -4.00 0.01 0.00 0.03 0.00 0.00 46.19 42.16 3nfu s LEU 149 CO 0.01 -0.68 -0.16 -0.76 0.23 0.00 0.00 176.35 174.98 3nfu s LEU 150 N -2.46 1.79 0.65 1.79 1.43 0.14 -1.59 118.68 120.43 3nfu s LEU 150 Ca 0.57 -0.41 -0.13 0.00 -1.03 0.00 0.00 54.13 53.12 3nfu s LEU 150 Cb -0.31 -1.07 -0.01 0.00 0.03 0.00 0.00 46.19 44.83 3nfu s LEU 150 CO 0.40 0.06 1.06 -0.83 0.23 0.00 0.00 176.35 177.27 3nfu s GLY 151 N 0.68 1.91 -0.30 -3.19 0.00 -0.55 -0.99 107.32 104.88 3nfu s GLY 151 Ca -0.13 0.27 -0.29 0.00 0.00 0.00 0.00 44.72 44.57 3nfu s GLY 151 CO 0.03 0.59 1.44 -0.35 0.00 0.00 0.00 173.10 174.82 3nfu s ASP 152 N -3.22 6.48 0.56 1.64 -1.08 -1.26 -4.20 116.67 115.58 3nfu s ASP 152 Ca 0.61 1.26 0.25 0.00 -0.52 0.00 0.00 52.55 54.15 3nfu s ASP 152 Cb -0.16 -2.54 1.62 0.00 -1.46 0.00 0.00 42.92 40.38 3nfu s ASP 152 CO 0.46 -1.24 2.21 -0.65 0.52 0.00 0.00 175.17 176.47 3nfu h PRO 153 N 10.19 0.00 0.00 4.34 0.11 -1.94 -2.20 132.00 142.51 3nfu h PRO 153 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3nfu h PRO 153 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3nfu h PRO 153 CO 1.03 0.01 0.00 -0.25 -0.21 0.00 0.00 178.00 178.59 3nfu n ASP 154 N -4.06 0.16 -0.17 -2.05 8.00 -1.26 -1.79 116.55 115.38 3nfu n ASP 154 Ca -0.03 0.55 0.14 0.00 0.71 0.00 0.00 54.79 56.16 3nfu n ASP 154 Cb 0.10 -0.58 0.59 0.00 -0.02 0.00 0.00 41.12 41.21 3nfu n ASP 154 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3nfu n LYS 155 N -1.69 0.84 -4.56 -1.24 5.02 -0.83 -4.89 118.16 110.82 3nfu n LYS 155 Ca 0.02 -0.34 -0.28 0.00 -2.02 0.00 0.00 58.31 55.70 3nfu n LYS 155 Cb 0.15 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.56 3nfu n LYS 155 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3nfu s THR 156 N -2.39 2.03 -0.21 -0.18 -4.23 -0.74 -4.86 115.64 105.06 3nfu s THR 156 Ca 0.31 -1.96 0.15 0.00 -1.18 0.00 0.00 61.69 59.01 3nfu s THR 156 Cb 0.20 -2.99 0.63 0.00 1.34 0.00 0.00 72.50 71.68 3nfu s THR 156 CO 0.46 0.00 1.54 -0.90 -0.54 0.00 0.00 174.62 175.18 3nfu n ASP 157 N -1.01 4.48 -4.84 3.99 5.68 -1.26 -5.02 116.55 118.57 3nfu n ASP 157 Ca -0.05 -3.02 -0.34 0.00 -0.50 0.00 0.00 54.79 50.88 3nfu n ASP 157 Cb 0.67 -0.60 -0.06 0.00 -1.14 0.00 0.00 41.12 39.99 3nfu n ASP 157 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 3nfu s LEU 158 N -2.83 4.25 -1.53 -2.12 1.43 -1.26 -4.98 118.68 111.63 3nfu s LEU 158 Ca 0.47 1.22 -0.09 0.00 -1.03 0.00 0.00 54.13 54.70 3nfu s LEU 158 Cb 0.37 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.94 3nfu s LEU 158 CO 0.11 -0.02 2.77 -0.81 0.23 0.00 0.00 176.35 178.63 3nfu n PRO 159 N 0.35 3.95 -1.99 1.29 -0.04 -1.26 -4.94 135.00 132.36 3nfu n PRO 159 Ca -0.01 -2.59 -0.40 0.00 -0.04 0.00 0.00 63.50 60.46 3nfu n PRO 159 Cb 0.52 -2.76 -0.00 0.00 -0.04 0.00 0.00 33.50 31.21 3nfu n PRO 159 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3nfu s TYR 160 N 1.20 2.76 0.51 0.54 2.02 -1.26 -4.88 117.35 118.24 3nfu s TYR 160 Ca 0.65 1.36 -0.23 0.00 -0.37 0.00 0.00 57.07 58.48 3nfu s TYR 160 Cb 0.18 -3.75 -0.06 0.00 -0.40 0.00 0.00 41.96 37.93 3nfu s TYR 160 CO -0.07 -2.29 1.33 -1.25 -1.57 0.00 0.00 175.55 171.70 3nfu s PRO 161 N -2.21 3.39 0.32 -1.71 0.04 -1.26 -5.02 135.00 128.54 3nfu s PRO 161 Ca 0.56 2.17 0.08 0.00 0.04 0.00 0.00 61.00 63.85 3nfu s PRO 161 Cb -0.40 -2.37 -0.06 0.00 0.04 0.00 0.00 34.50 31.70 3nfu s PRO 161 CO 0.52 -0.97 -0.08 1.03 0.04 0.00 0.00 177.00 177.54 3nfu s ARG 162 N -2.76 1.71 0.14 4.56 1.81 -1.26 -4.84 118.95 118.31 3nfu s ARG 162 Ca 0.68 -1.88 -0.31 0.00 -1.72 0.00 0.00 55.73 52.50 3nfu s ARG 162 Cb -0.38 -1.47 -0.10 0.00 -0.45 0.00 0.00 34.95 32.54 3nfu s ARG 162 CO 0.47 0.09 1.71 0.08 -0.68 0.00 0.00 175.30 176.97 3nfu s VAL 163 N -2.78 2.54 -0.26 3.52 1.01 -1.26 -4.98 120.40 118.19 3nfu s VAL 163 Ca 0.31 0.22 -0.03 0.00 0.00 0.00 0.00 61.98 62.48 3nfu s VAL 163 Cb 0.03 -3.14 0.15 0.00 0.00 0.00 0.00 36.38 33.42 3nfu s VAL 163 CO 0.15 0.01 0.47 0.00 0.00 0.00 0.00 175.10 175.73 3nfu s ALA 164 N 2.03 -1.57 -0.98 5.51 0.00 -1.26 -5.00 121.76 120.49 3nfu s ALA 164 Ca 0.76 1.36 -0.08 0.00 0.00 0.00 0.00 51.96 53.99 3nfu s ALA 164 Cb -0.45 -1.84 -0.03 0.00 0.00 0.00 0.00 23.12 20.80 3nfu s ALA 164 CO 0.33 -1.24 0.81 -3.47 0.00 0.00 0.00 175.76 172.20 3nfu n ASP 165 N 5.39 -6.49 -4.74 0.00 2.03 -1.26 -4.92 116.55 106.57 3nfu n ASP 165 Ca -0.03 -0.65 -0.41 0.00 0.52 0.00 0.00 54.79 54.22 3nfu n ASP 165 Cb 0.50 -4.54 -0.03 0.00 -0.72 0.00 0.00 41.12 36.34 3nfu n ASP 165 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3nfu s PRO 166 N -4.50 4.39 0.19 -0.67 0.04 -1.26 -4.93 135.00 128.27 3nfu s PRO 166 Ca 0.32 2.05 -0.08 0.00 0.04 0.00 0.00 61.00 63.33 3nfu s PRO 166 Cb -0.07 -3.19 0.09 0.00 0.04 0.00 0.00 34.50 31.36 3nfu s PRO 166 CO 0.78 -0.24 1.63 0.28 0.04 0.00 0.00 177.00 179.49 3nfu h VAL 167 N 3.71 1.27 -2.04 -0.36 2.07 -1.91 -3.48 116.25 115.51 3nfu h VAL 167 Ca -0.45 -1.23 -0.00 0.00 0.82 0.00 0.00 66.70 65.84 3nfu h VAL 167 Cb 1.21 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 31.91 3nfu h VAL 167 CO 0.76 0.43 0.00 -0.90 0.02 0.00 0.00 177.57 177.89 3nfu n ASP 168 N -4.15 -0.04 -0.02 0.57 5.68 -1.26 -5.03 116.55 112.29 3nfu n ASP 168 Ca 0.02 -1.04 0.01 0.00 -0.50 0.00 0.00 54.79 53.28 3nfu n ASP 168 Cb 0.38 0.08 0.34 0.00 -1.14 0.00 0.00 41.12 40.78 3nfu n ASP 168 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3nfu h ALA 169 N 1.69 1.50 -0.51 2.12 0.00 -1.92 -2.14 119.26 119.99 3nfu h ALA 169 Ca -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3nfu h ALA 169 Cb 0.03 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3nfu h ALA 169 CO 0.01 0.38 0.28 2.35 0.00 0.00 0.00 179.25 182.27 3nfu h TRP 170 N 0.56 0.68 0.00 0.00 2.91 -1.96 0.34 115.95 118.47 3nfu h TRP 170 Ca 0.14 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.15 3nfu h TRP 170 Cb 0.16 -0.22 0.00 0.00 -0.51 0.00 0.00 29.16 28.58 3nfu h TRP 170 CO 0.01 0.47 0.00 -0.25 -1.03 0.00 0.00 178.44 177.64 3nfu n ASP 171 N -4.41 0.00 -0.08 2.65 8.00 -0.81 -2.77 116.55 119.13 3nfu n ASP 171 Ca 0.04 -0.11 -0.07 0.00 0.71 0.00 0.00 54.79 55.36 3nfu n ASP 171 Cb 0.10 -0.24 -0.02 0.00 -0.02 0.00 0.00 41.12 40.93 3nfu n ASP 171 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3nfu n GLU 172 N -1.24 0.45 0.16 -1.24 1.02 -0.04 -4.66 120.64 115.09 3nfu n GLU 172 Ca 0.11 0.24 0.04 0.00 -0.02 0.00 0.00 57.16 57.53 3nfu n GLU 172 Cb 0.15 -1.36 0.46 0.00 -0.02 0.00 0.00 31.44 30.67 3nfu n GLU 172 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 3nfu h VAL 173 N -0.87 1.14 0.00 2.62 -1.51 -1.23 -2.29 116.25 114.11 3nfu h VAL 173 Ca 0.00 -0.62 0.00 0.00 -1.23 0.00 0.00 66.70 64.85 3nfu h VAL 173 Cb 0.80 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 31.15 3nfu h VAL 173 CO 0.00 0.19 0.00 -2.11 -1.23 0.00 0.00 177.57 174.42 3nfu n ARG 174 N -4.33 0.01 -0.06 5.19 1.85 -1.12 -2.65 116.66 115.56 3nfu n ARG 174 Ca -0.01 0.28 0.04 0.00 -1.00 0.00 0.00 57.85 57.16 3nfu n ARG 174 Cb 0.23 -1.52 0.07 0.00 -1.05 0.00 0.00 32.46 30.19 3nfu n ARG 174 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3nfu n TYR 175 N -1.54 0.07 -4.42 2.89 4.01 -0.86 -4.84 117.16 112.47 3nfu n TYR 175 Ca 0.03 -0.70 -0.21 0.00 -0.16 0.00 0.00 57.90 56.86 3nfu n TYR 175 Cb 0.16 -0.10 -0.10 0.00 -0.31 0.00 0.00 39.34 38.99 3nfu n TYR 175 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3nfu s ARG 176 N -1.78 1.53 0.27 -0.72 0.52 -1.08 -4.64 118.95 113.04 3nfu s ARG 176 Ca 0.15 -1.77 -0.30 0.00 -0.52 0.00 0.00 55.73 53.30 3nfu s ARG 176 Cb 0.13 -1.16 -0.14 0.00 0.52 0.00 0.00 34.95 34.30 3nfu s ARG 176 CO 0.03 0.05 1.22 -1.91 0.02 0.00 0.00 175.30 174.71 3nfu n GLU 177 N -0.56 1.71 -3.45 3.54 2.13 -1.26 -4.82 120.64 117.92 3nfu n GLU 177 Ca -0.06 0.60 -0.22 0.00 0.66 0.00 0.00 57.16 58.15 3nfu n GLU 177 Cb 0.63 -2.13 -0.12 0.00 0.27 0.00 0.00 31.44 30.09 3nfu n GLU 177 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3nfu s ALA 178 N -0.61 -0.04 0.00 4.31 0.00 -0.16 -4.92 121.76 120.33 3nfu s ALA 178 Ca 0.63 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.95 3nfu s ALA 178 Cb -0.68 -1.65 0.00 0.00 0.00 0.00 0.00 23.12 20.79 3nfu s ALA 178 CO 0.56 -1.70 0.20 -1.33 0.00 0.00 0.00 175.76 173.48 3nfu n MET 179 N 5.25 0.02 -4.31 0.00 2.00 -1.26 0.24 117.12 119.06 3nfu n MET 179 Ca -0.03 -0.21 -0.17 0.00 0.00 0.00 0.00 57.70 57.30 3nfu n MET 179 Cb 0.45 -0.53 -0.10 0.00 0.00 0.00 0.00 33.22 33.04 3nfu n MET 179 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 3nfu s THR 180 N -0.02 1.48 0.28 2.03 -4.23 -1.26 -5.05 115.64 108.87 3nfu s THR 180 Ca 0.00 -2.14 0.01 0.00 -1.18 0.00 0.00 61.69 58.38 3nfu s THR 180 Cb 0.00 -1.99 0.28 0.00 1.34 0.00 0.00 72.50 72.13 3nfu s THR 180 CO 0.00 -0.64 1.84 -0.65 -0.54 0.00 0.00 174.62 174.63 3nfu h PRO 181 N 2.64 0.97 -0.54 3.99 0.11 -1.88 -2.12 132.00 135.17 3nfu h PRO 181 Ca -0.37 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 3nfu h PRO 181 Cb 1.21 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 3nfu h PRO 181 CO 0.63 0.64 0.27 1.49 -0.21 0.00 0.00 178.00 180.82 3nfu h GLU 182 N 1.00 0.76 -0.57 1.05 4.81 -1.95 -1.83 114.58 117.84 3nfu h GLU 182 Ca 0.49 -0.10 -0.07 0.00 -0.13 0.00 0.00 59.36 59.55 3nfu h GLU 182 Cb 0.47 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 3nfu h GLU 182 CO -0.26 0.61 0.09 0.00 -0.73 0.00 0.00 179.01 178.72 3nfu h ALA 183 N 1.11 1.08 -0.69 2.92 0.00 -1.90 0.17 119.26 121.96 3nfu h ALA 183 Ca 0.19 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3nfu h ALA 183 Cb 0.09 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3nfu h ALA 183 CO -0.03 0.60 0.14 0.28 0.00 0.00 0.00 179.25 180.24 3nfu h VAL 184 N 0.87 1.26 -0.38 0.00 2.07 -1.20 0.73 116.25 119.60 3nfu h VAL 184 Ca 0.18 -1.01 -0.11 0.00 0.82 0.00 0.00 66.70 66.58 3nfu h VAL 184 Cb 0.38 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3nfu h VAL 184 CO 0.01 0.38 -0.21 0.00 0.02 0.00 0.00 177.57 177.78 3nfu h ALA 185 N 1.09 0.93 -0.48 1.67 0.00 -1.02 -1.73 119.26 119.72 3nfu h ALA 185 Ca 0.21 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3nfu h ALA 185 Cb 0.41 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3nfu h ALA 185 CO 0.01 0.62 0.01 -0.91 0.00 0.00 0.00 179.25 178.97 3nfu h ASN 186 N 0.65 0.75 -0.33 0.00 2.35 -0.63 -0.66 115.58 117.71 3nfu h ASN 186 Ca 0.09 -0.18 0.04 0.00 -0.55 0.00 0.00 56.30 55.71 3nfu h ASN 186 Cb 0.70 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.83 3nfu h ASN 186 CO 0.05 0.81 0.09 -0.07 -1.65 0.00 0.00 177.43 176.67 3nfu h LEU 187 N 0.73 0.08 -0.36 1.61 3.38 -0.56 -2.47 115.31 117.72 3nfu h LEU 187 Ca 0.14 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3nfu h LEU 187 Cb 0.44 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3nfu h LEU 187 CO 0.02 0.08 0.15 0.00 0.09 0.00 0.00 178.44 178.77 3nfu h ALA 188 N 1.22 0.47 -0.89 1.53 0.00 -0.96 -1.51 119.26 119.12 3nfu h ALA 188 Ca 0.15 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.96 3nfu h ALA 188 Cb 0.14 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 3nfu h ALA 188 CO -0.17 0.07 0.57 0.00 0.00 0.00 0.00 179.25 179.72 3nfu h ARG 189 N 0.44 1.08 -0.14 0.00 3.08 -1.10 0.64 114.38 118.38 3nfu h ARG 189 Ca 0.12 -0.06 -0.18 0.00 0.07 0.00 0.00 59.98 59.93 3nfu h ARG 189 Cb 0.18 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 3nfu h ARG 189 CO -0.01 0.71 -0.65 0.00 -1.07 0.00 0.00 179.97 178.95 3nfu h ALA 190 N 1.37 0.60 -0.53 0.04 0.00 -1.35 -1.52 119.26 117.87 3nfu h ALA 190 Ca 0.36 -0.56 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 3nfu h ALA 190 Cb 0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3nfu h ALA 190 CO -0.12 0.72 -0.01 0.00 0.00 0.00 0.00 179.25 179.84 3nfu h ALA 191 N 0.90 0.72 -0.36 0.00 0.00 -1.02 -2.47 119.26 117.03 3nfu h ALA 191 Ca -0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3nfu h ALA 191 Cb 1.22 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3nfu h ALA 191 CO 0.12 0.54 0.18 -0.92 0.00 0.00 0.00 179.25 179.18 3nfu h TYR 192 N 0.81 0.51 -0.62 0.00 3.20 -0.77 0.13 116.97 120.23 3nfu h TYR 192 Ca 0.15 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.03 3nfu h TYR 192 Cb 0.54 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 3nfu h TYR 192 CO 0.04 0.42 0.41 -0.44 -1.64 0.00 0.00 178.16 176.95 3nfu h ASP 193 N 0.45 0.63 0.07 -2.11 3.32 -1.07 0.97 116.42 118.67 3nfu h ASP 193 Ca 0.13 -0.01 -0.19 0.00 0.02 0.00 0.00 57.03 56.98 3nfu h ASP 193 Cb 0.09 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3nfu h ASP 193 CO -0.02 0.44 -0.95 -0.09 -1.72 0.00 0.00 179.24 176.89 3nfu h ARG 194 N 0.73 0.14 0.00 3.56 2.43 -1.30 -3.43 114.38 116.51 3nfu h ARG 194 Ca 0.25 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3nfu h ARG 194 Cb 0.08 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3nfu h ARG 194 CO -0.07 1.11 -1.62 0.66 -1.51 0.00 0.00 179.97 178.55 3nfu n TYR 195 N -4.23 0.00 -1.87 2.20 4.01 0.43 -4.90 117.16 112.81 3nfu n TYR 195 Ca -0.21 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.46 3nfu n TYR 195 Cb 0.74 -0.32 -0.01 0.00 -0.31 0.00 0.00 39.34 39.44 3nfu n TYR 195 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3nfu n GLY 196 N 1.59 0.32 3.65 2.72 0.00 0.32 -1.26 105.19 112.53 3nfu n GLY 196 Ca -0.02 -0.65 -0.47 0.00 0.00 0.00 0.00 46.02 44.87 3nfu n GLY 196 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3nfu n PHE 197 N -3.68 2.10 0.01 1.61 3.72 -1.26 -2.18 117.46 117.79 3nfu n PHE 197 Ca -0.07 0.37 -0.05 0.00 -0.05 0.00 0.00 57.45 57.65 3nfu n PHE 197 Cb 0.46 -2.49 -0.11 0.00 -0.94 0.00 0.00 39.48 36.40 3nfu n PHE 197 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3nfu h LYS 198 N 5.41 0.00 -6.12 -1.08 1.57 -1.86 -3.47 116.57 111.02 3nfu h LYS 198 Ca -0.45 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.77 3nfu h LYS 198 Cb 1.27 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.39 3nfu h LYS 198 CO 0.85 0.43 -0.80 -0.51 -0.57 0.00 0.00 179.45 178.84 3nfu s ASP 199 N -5.99 2.75 0.10 0.86 1.01 -1.26 -3.63 116.67 110.49 3nfu s ASP 199 Ca -0.03 -0.80 -0.00 0.00 0.71 0.00 0.00 52.55 52.42 3nfu s ASP 199 Cb 0.08 -0.16 -0.04 0.00 1.01 0.00 0.00 42.92 43.81 3nfu s ASP 199 CO 0.82 0.02 -0.00 -0.36 0.21 0.00 0.00 175.17 175.85 3nfu s PHE 200 N -1.69 0.76 0.02 4.23 0.08 -0.15 -1.21 117.98 120.02 3nfu s PHE 200 Ca 0.13 -1.10 0.01 0.00 0.12 0.00 0.00 56.93 56.09 3nfu s PHE 200 Cb -0.07 -0.47 -0.01 0.00 -0.57 0.00 0.00 43.02 41.89 3nfu s PHE 200 CO 0.06 -0.38 -0.03 0.21 -0.10 0.00 0.00 175.22 174.98 3nfu s LYS 201 N -3.95 0.29 -0.12 0.44 2.20 -0.93 -2.61 119.74 115.05 3nfu s LYS 201 Ca 0.15 -0.41 0.02 0.00 -0.36 0.00 0.00 55.97 55.37 3nfu s LYS 201 Cb 0.07 -0.08 -0.00 0.00 -1.51 0.00 0.00 37.83 36.31 3nfu s LYS 201 CO -0.04 0.01 -0.18 -1.17 -0.36 0.00 0.00 175.35 173.61 3nfu s LEU 202 N -0.89 2.38 -0.09 5.43 2.96 -0.64 -0.74 118.68 127.09 3nfu s LEU 202 Ca -0.08 -0.47 -0.29 0.00 -0.22 0.00 0.00 54.13 53.07 3nfu s LEU 202 Cb -0.06 -1.51 -0.04 0.00 0.50 0.00 0.00 46.19 45.07 3nfu s LEU 202 CO -0.00 0.14 1.56 -0.75 -1.32 0.00 0.00 176.35 175.98 3nfu s LYS 203 N 0.48 4.16 0.00 1.98 2.47 0.04 -1.40 119.74 127.46 3nfu s LYS 203 Ca -0.13 2.02 0.00 0.00 -1.56 0.00 0.00 55.97 56.31 3nfu s LYS 203 Cb -0.17 -3.94 0.00 0.00 -1.46 0.00 0.00 37.83 32.26 3nfu s LYS 203 CO 0.05 -0.86 0.00 0.41 0.16 0.00 0.00 175.35 175.12 3nfu n GLY 204 N 4.06 2.89 2.09 5.54 0.00 0.01 -4.35 105.19 115.44 3nfu n GLY 204 Ca 0.17 -1.97 -0.04 0.00 0.00 0.00 0.00 46.02 44.18 3nfu n GLY 204 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nfu n GLY 205 N 5.00 0.42 1.08 -0.02 0.00 -1.26 -4.16 105.19 106.26 3nfu n GLY 205 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.22 3nfu n GLY 205 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3nfu n VAL 206 N -3.50 0.75 -3.24 1.61 0.31 -1.26 -1.12 118.33 111.88 3nfu n VAL 206 Ca -0.04 0.25 -0.22 0.00 -0.01 0.00 0.00 64.34 64.32 3nfu n VAL 206 Cb 0.35 -1.50 0.05 0.00 -0.91 0.00 0.00 33.84 31.83 3nfu n VAL 206 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3nfu s LEU 207 N -6.62 2.94 0.46 7.52 1.43 -1.26 -0.23 118.68 122.92 3nfu s LEU 207 Ca 0.00 -1.00 -0.25 0.00 -1.03 0.00 0.00 54.13 51.86 3nfu s LEU 207 Cb 0.00 -1.41 -0.08 0.00 0.03 0.00 0.00 46.19 44.73 3nfu s LEU 207 CO 0.00 -1.36 1.41 0.54 0.23 0.00 0.00 176.35 177.17 3nfu n ARG 208 N -2.18 2.14 -0.25 1.70 1.74 -1.26 -4.82 116.66 113.73 3nfu n ARG 208 Ca 0.12 0.76 0.05 0.00 -0.77 0.00 0.00 57.85 58.02 3nfu n ARG 208 Cb 0.62 -2.60 0.16 0.00 -1.02 0.00 0.00 32.46 29.62 3nfu n ARG 208 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3nfu h GLY 209 N 2.14 0.86 1.34 -0.13 0.00 -1.98 -1.26 103.07 104.04 3nfu h GLY 209 Ca -0.50 0.08 0.00 0.00 0.00 0.00 0.00 47.33 46.91 3nfu h GLY 209 CO 0.60 -0.27 0.42 0.83 0.00 0.00 0.00 176.54 178.12 3nfu h GLU 210 N 0.13 0.88 -0.29 4.80 3.07 -1.91 -0.52 114.58 120.73 3nfu h GLU 210 Ca 0.41 -0.06 -0.16 0.00 -0.50 0.00 0.00 59.36 59.04 3nfu h GLU 210 Cb 0.71 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.42 3nfu h GLU 210 CO -0.63 0.60 -0.47 0.93 -1.40 0.00 0.00 179.01 178.04 3nfu h GLU 211 N 0.90 0.77 -0.17 2.33 5.08 -1.61 -1.15 114.58 120.73 3nfu h GLU 211 Ca 0.24 -0.44 -0.15 0.00 -1.00 0.00 0.00 59.36 58.01 3nfu h GLU 211 Cb -0.07 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3nfu h GLU 211 CO -0.05 1.07 -0.51 0.93 -1.00 0.00 0.00 179.01 179.45 3nfu h GLU 212 N 0.61 0.47 -0.54 2.33 5.08 -1.09 -2.69 114.58 118.75 3nfu h GLU 212 Ca 0.03 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 3nfu h GLU 212 Cb 1.04 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.29 3nfu h GLU 212 CO 0.10 0.87 0.31 0.00 -1.00 0.00 0.00 179.01 179.29 3nfu h ALA 213 N 1.08 1.54 -0.22 3.43 0.00 -0.96 -2.45 119.26 121.67 3nfu h ALA 213 Ca 0.01 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3nfu h ALA 213 Cb 1.03 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3nfu h ALA 213 CO 0.09 0.39 -0.14 -0.44 0.00 0.00 0.00 179.25 179.16 3nfu h ASP 214 N 0.74 0.35 -0.44 0.00 3.32 -0.90 -2.38 116.42 117.11 3nfu h ASP 214 Ca 0.19 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 3nfu h ASP 214 Cb -0.01 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 3nfu h ASP 214 CO -0.03 0.52 0.19 0.00 -1.72 0.00 0.00 179.24 178.20 3nfu h ILE 216 N 0.56 0.81 -0.17 0.00 1.08 -1.32 0.19 117.51 118.66 3nfu h ILE 216 Ca 0.15 -0.14 0.05 0.00 -0.39 0.00 0.00 64.86 64.53 3nfu h ILE 216 Cb 0.15 0.37 -0.05 0.00 -3.07 0.00 0.00 36.82 34.23 3nfu h ILE 216 CO -0.02 0.07 -0.15 0.03 -0.69 0.00 0.00 178.15 177.40 3nfu h ARG 217 N 0.40 -0.16 -0.90 2.37 3.08 -1.21 0.28 114.38 118.23 3nfu h ARG 217 Ca 0.28 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.35 3nfu h ARG 217 Cb 0.31 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.35 3nfu h ARG 217 CO -0.27 -0.11 0.59 0.00 -1.07 0.00 0.00 179.97 179.12 3nfu h ALA 218 N 0.93 1.15 -0.32 0.04 0.00 -0.92 -0.74 119.26 119.39 3nfu h ALA 218 Ca 0.11 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3nfu h ALA 218 Cb 0.33 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3nfu h ALA 218 CO -0.27 0.53 0.21 -0.07 0.00 0.00 0.00 179.25 179.64 3nfu h LEU 219 N 1.21 0.35 -0.82 0.00 3.38 -0.07 -1.73 115.31 117.63 3nfu h LEU 219 Ca 0.33 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.26 3nfu h LEU 219 Cb -0.12 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 3nfu h LEU 219 CO -0.08 0.25 0.38 -0.74 0.09 0.00 0.00 178.44 178.34 3nfu h HIS 220 N 0.42 1.20 0.00 1.13 2.76 -0.00 0.67 115.15 121.32 3nfu h HIS 220 Ca 0.12 -0.07 -0.09 0.00 -2.20 0.00 0.00 60.37 58.13 3nfu h HIS 220 Cb -0.04 -0.37 -0.01 0.00 1.55 0.00 0.00 27.41 28.54 3nfu h HIS 220 CO -0.06 0.88 -0.43 1.05 -1.30 0.00 0.00 177.93 178.07 3nfu h GLU 221 N 1.17 0.00 -0.04 5.26 -0.00 -1.02 -1.85 114.58 118.11 3nfu h GLU 221 Ca 0.28 0.00 -0.24 0.00 -0.00 0.00 0.00 59.36 59.40 3nfu h GLU 221 Cb 0.14 0.00 0.02 0.00 -0.00 0.00 0.00 28.75 28.91 3nfu h GLU 221 CO -0.03 0.43 -0.92 0.00 -0.00 0.00 0.00 179.01 178.49 3nfu h ALA 222 N 1.57 0.16 -2.74 1.06 0.00 -0.91 -3.41 119.26 115.00 3nfu h ALA 222 Ca -0.00 -0.66 -0.60 0.00 0.00 0.00 0.00 54.91 53.65 3nfu h ALA 222 Cb 0.89 0.04 -0.40 0.00 0.00 0.00 0.00 17.79 18.33 3nfu h ALA 222 CO 0.06 0.63 -0.81 -0.06 0.00 0.00 0.00 179.25 179.07 3nfu s PHE 223 N -3.41 1.70 0.45 0.00 0.08 0.19 -5.00 117.98 111.98 3nfu s PHE 223 Ca -0.10 -2.37 0.31 0.00 0.12 0.00 0.00 56.93 54.88 3nfu s PHE 223 Cb 0.07 -1.53 1.65 0.00 -0.57 0.00 0.00 43.02 42.64 3nfu s PHE 223 CO 0.90 -0.77 2.14 -1.35 -0.10 0.00 0.00 175.22 176.04 3nfu h PRO 224 N 6.27 0.00 -0.01 0.24 0.11 -1.57 -2.67 132.00 134.37 3nfu h PRO 224 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3nfu h PRO 224 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3nfu h PRO 224 CO 0.44 0.07 -0.66 0.39 -0.21 0.00 0.00 178.00 178.04 3nfu n GLU 225 N -3.53 0.58 -1.96 1.05 -0.58 -1.26 -4.98 120.64 109.96 3nfu n GLU 225 Ca -0.02 -0.46 -0.37 0.00 -0.42 0.00 0.00 57.16 55.90 3nfu n GLU 225 Cb 0.20 -1.49 0.03 0.00 -0.57 0.00 0.00 31.44 29.61 3nfu n GLU 225 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3nfu s ALA 226 N -2.73 2.62 -0.06 0.62 0.00 -1.01 -5.00 121.76 116.20 3nfu s ALA 226 Ca 0.14 1.09 -0.28 0.00 0.00 0.00 0.00 51.96 52.91 3nfu s ALA 226 Cb 0.17 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 3nfu s ALA 226 CO 0.69 -1.21 0.92 1.03 0.00 0.00 0.00 175.76 177.20 3nfu s ARG 227 N -3.19 4.47 0.13 0.00 0.52 -1.24 -4.96 118.95 114.69 3nfu s ARG 227 Ca 0.76 1.28 0.11 0.00 -0.52 0.00 0.00 55.73 57.35 3nfu s ARG 227 Cb -0.33 -3.49 -0.04 0.00 0.52 0.00 0.00 34.95 31.61 3nfu s ARG 227 CO 0.37 -0.13 -0.26 -0.51 0.02 0.00 0.00 175.30 174.79 3nfu s LEU 228 N 1.36 2.33 0.04 2.53 1.43 -1.26 -0.98 118.68 124.14 3nfu s LEU 228 Ca 0.47 -0.76 -0.02 0.00 -1.03 0.00 0.00 54.13 52.79 3nfu s LEU 228 Cb -0.19 -1.17 -0.03 0.00 0.03 0.00 0.00 46.19 44.83 3nfu s LEU 228 CO 0.22 0.16 0.00 0.00 0.23 0.00 0.00 176.35 176.96 3nfu s ALA 229 N -1.15 0.22 -0.03 4.21 0.00 -1.07 0.03 121.76 123.98 3nfu s ALA 229 Ca 0.14 -0.83 0.04 0.00 0.00 0.00 0.00 51.96 51.32 3nfu s ALA 229 Cb -0.10 0.23 -0.01 0.00 0.00 0.00 0.00 23.12 23.24 3nfu s ALA 229 CO 0.06 -0.29 -0.15 -1.17 0.00 0.00 0.00 175.76 174.21 3nfu s LEU 230 N -2.22 1.94 -0.44 0.00 2.96 -1.25 -1.62 118.68 118.04 3nfu s LEU 230 Ca -0.04 -0.30 0.02 0.00 -0.22 0.00 0.00 54.13 53.60 3nfu s LEU 230 Cb -0.00 -0.84 0.13 0.00 0.50 0.00 0.00 46.19 45.98 3nfu s LEU 230 CO -0.06 0.15 0.23 -0.62 -1.32 0.00 0.00 176.35 174.74 3nfu s ASP 231 N -0.09 3.77 0.00 3.68 3.68 -0.50 -0.61 116.67 126.60 3nfu s ASP 231 Ca 0.00 -2.63 0.14 0.00 2.13 0.00 0.00 52.55 52.19 3nfu s ASP 231 Cb -0.09 -1.12 0.82 0.00 -1.45 0.00 0.00 42.92 41.08 3nfu s ASP 231 CO 0.01 -0.27 1.44 -0.81 0.13 0.00 0.00 175.17 175.67 3nfu n PRO 232 N 3.55 0.89 -4.14 4.34 -0.04 -1.22 -0.80 135.00 137.58 3nfu n PRO 232 Ca 0.08 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.20 3nfu n PRO 232 Cb 0.34 -1.24 -0.02 0.00 -0.04 0.00 0.00 33.50 32.55 3nfu n PRO 232 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3nfu n ASN 233 N -0.74 -3.03 -0.03 3.54 3.02 -1.24 -2.45 115.26 114.32 3nfu n ASN 233 Ca 0.10 -0.98 -0.00 0.00 -0.03 0.00 0.00 54.58 53.67 3nfu n ASN 233 Cb 0.05 -2.97 -0.00 0.00 -0.61 0.00 0.00 39.78 36.24 3nfu n ASN 233 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3nfu n GLY 234 N -1.54 0.43 0.20 7.41 0.00 0.10 -4.93 105.19 106.86 3nfu n GLY 234 Ca 0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 3nfu n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3nfu h ALA 235 N 0.00 1.21 -2.56 4.61 0.00 -1.61 -3.32 119.26 117.59 3nfu h ALA 235 Ca -0.01 -0.37 -0.53 0.00 0.00 0.00 0.00 54.91 54.01 3nfu h ALA 235 Cb 0.21 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3nfu h ALA 235 CO 0.01 0.54 0.05 -1.58 0.00 0.00 0.00 179.25 178.27 3nfu s TRP 236 N -4.26 3.66 0.56 0.00 0.51 -1.25 -4.20 118.94 113.95 3nfu s TRP 236 Ca -0.05 1.31 -0.19 0.00 -2.12 0.00 0.00 56.10 55.05 3nfu s TRP 236 Cb 0.14 -2.55 -0.05 0.00 -0.81 0.00 0.00 33.47 30.20 3nfu s TRP 236 CO 0.76 0.38 1.18 0.15 -0.51 0.00 0.00 176.95 178.91 3nfu s LYS 237 N -1.89 3.20 0.20 4.98 -0.14 -1.26 -4.13 119.74 120.69 3nfu s LYS 237 Ca 0.41 1.75 -0.18 0.00 -1.36 0.00 0.00 55.97 56.59 3nfu s LYS 237 Cb -0.17 -2.01 0.17 0.00 -1.68 0.00 0.00 37.83 34.15 3nfu s LYS 237 CO 0.21 -1.01 1.59 1.25 -0.76 0.00 0.00 175.35 176.63 3nfu h LEU 238 N 1.13 -1.00 -1.00 3.17 5.85 -1.90 0.15 115.31 121.71 3nfu h LEU 238 Ca -0.50 0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.44 3nfu h LEU 238 Cb 1.28 0.53 -0.05 0.00 0.37 0.00 0.00 40.66 42.80 3nfu h LEU 238 CO 0.56 -0.28 0.62 0.44 -0.34 0.00 0.00 178.44 179.44 3nfu h ASP 239 N -0.11 1.14 -0.38 1.25 3.32 -1.99 -1.28 116.42 118.38 3nfu h ASP 239 Ca 0.27 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 3nfu h ASP 239 Cb 0.54 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 3nfu h ASP 239 CO -0.70 0.85 0.17 -0.08 -1.72 0.00 0.00 179.24 177.76 3nfu h GLU 240 N 1.33 0.55 -0.50 3.56 4.57 -1.57 -1.40 114.58 121.13 3nfu h GLU 240 Ca 0.35 -0.09 0.05 0.00 -1.18 0.00 0.00 59.36 58.49 3nfu h GLU 240 Cb -0.11 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.33 3nfu h GLU 240 CO -0.07 0.51 0.23 0.00 -1.18 0.00 0.00 179.01 178.50 3nfu h ALA 241 N 1.01 0.63 -0.48 2.92 0.00 -0.27 0.20 119.26 123.27 3nfu h ALA 241 Ca 0.13 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 3nfu h ALA 241 Cb 0.15 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3nfu h ALA 241 CO -0.01 -0.14 -0.04 0.28 0.00 0.00 0.00 179.25 179.34 3nfu h VAL 242 N 0.44 1.27 -0.01 0.00 2.07 -1.15 -1.32 116.25 117.54 3nfu h VAL 242 Ca 0.23 -1.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.61 3nfu h VAL 242 Cb 0.18 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 3nfu h VAL 242 CO -0.19 0.39 0.01 -0.09 0.02 0.00 0.00 177.57 177.71 3nfu h ARG 243 N 0.73 0.02 -0.60 1.57 2.43 -0.98 -2.14 114.38 115.41 3nfu h ARG 243 Ca 0.13 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 3nfu h ARG 243 Cb 0.56 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 3nfu h ARG 243 CO 0.03 0.08 0.23 0.28 -1.51 0.00 0.00 179.97 179.08 3nfu h VAL 244 N -0.06 1.23 0.00 0.20 2.07 -0.93 -3.36 116.25 115.40 3nfu h VAL 244 Ca 0.00 -0.74 -0.18 0.00 0.82 0.00 0.00 66.70 66.60 3nfu h VAL 244 Cb 0.07 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 3nfu h VAL 244 CO -0.00 0.29 -1.55 0.18 0.02 0.00 0.00 177.57 176.51 3nfu n LEU 245 N -4.44 0.72 -0.29 2.57 4.77 -0.50 -4.24 117.00 115.58 3nfu n LEU 245 Ca 0.04 0.32 0.08 0.00 -0.03 0.00 0.00 56.01 56.41 3nfu n LEU 245 Cb 0.18 0.11 0.23 0.00 -2.33 0.00 0.00 43.42 41.61 3nfu n LEU 245 CO 0.39 0.17 1.08 -0.33 -1.33 0.00 0.00 177.39 177.37 3nfu h GLU 246 N 0.00 0.55 0.00 3.23 4.39 -1.53 -0.18 114.58 121.03 3nfu h GLU 246 Ca -0.19 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.46 3nfu h GLU 246 Cb 1.61 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 30.14 3nfu h GLU 246 CO 0.04 0.36 -0.10 -1.35 -1.16 0.00 0.00 179.01 176.81 3nfu h PRO 247 N 0.56 0.00 -0.10 2.33 0.11 -1.78 -3.24 132.00 129.89 3nfu h PRO 247 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 3nfu h PRO 247 Cb 0.72 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.83 3nfu h PRO 247 CO -0.40 0.10 0.00 0.44 -0.21 0.00 0.00 178.00 177.93 3nfu n ILE 248 N -4.09 1.63 0.25 4.15 -5.35 -0.67 -4.75 119.36 110.52 3nfu n ILE 248 Ca -0.03 -1.69 0.11 0.00 -0.27 0.00 0.00 62.75 60.87 3nfu n ILE 248 Cb 0.18 0.04 0.63 0.00 -1.74 0.00 0.00 39.64 38.75 3nfu n ILE 248 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 3nfu h LYS 249 N 0.66 0.00 0.00 6.28 2.10 -1.09 -0.13 116.57 124.40 3nfu h LYS 249 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3nfu h LYS 249 Cb 0.94 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 3nfu h LYS 249 CO 0.05 0.17 0.00 0.45 -2.00 0.00 0.00 179.45 178.12 3nfu h HIS 250 N 0.00 0.00 0.00 0.07 3.86 -1.85 -3.13 115.15 114.10 3nfu h HIS 250 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3nfu h HIS 250 Cb 0.48 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.95 3nfu h HIS 250 CO 0.00 0.00 -0.72 -0.07 0.86 0.00 0.00 177.93 178.00 3nfu h LEU 251 N 0.00 0.00 -9.71 2.43 3.38 -1.37 -3.47 115.31 106.57 3nfu h LEU 251 Ca 0.00 -0.11 -0.64 0.00 0.09 0.00 0.00 57.88 57.21 3nfu h LEU 251 Cb 0.69 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.38 3nfu h LEU 251 CO 0.00 0.06 -0.42 -0.76 0.09 0.00 0.00 178.44 177.41 3nfu s LEU 252 N -4.82 4.39 0.06 1.67 1.43 -1.12 -4.33 118.68 115.97 3nfu s LEU 252 Ca 0.04 0.54 0.02 0.00 -1.03 0.00 0.00 54.13 53.70 3nfu s LEU 252 Cb 0.11 -2.40 -0.25 0.00 0.03 0.00 0.00 46.19 43.68 3nfu s LEU 252 CO 0.74 0.33 1.07 0.28 0.23 0.00 0.00 176.35 179.00 3nfu h SER 253 N 4.46 0.20 -4.78 2.29 0.02 -0.70 -3.47 113.55 111.58 3nfu h SER 253 Ca -0.52 -0.25 0.04 0.00 -0.84 0.00 0.00 61.79 60.22 3nfu h SER 253 Cb 1.21 -0.07 -0.15 0.00 0.14 0.00 0.00 62.40 63.54 3nfu h SER 253 CO 0.63 1.20 0.35 -0.72 -1.14 0.00 0.00 176.83 177.15 3nfu s TYR 254 N -2.66 -0.46 -0.12 3.45 -0.85 -1.23 -4.49 117.35 110.99 3nfu s TYR 254 Ca -0.03 0.38 -0.03 0.00 -0.52 0.00 0.00 57.07 56.86 3nfu s TYR 254 Cb 0.08 0.53 -0.03 0.00 0.38 0.00 0.00 41.96 42.92 3nfu s TYR 254 CO 0.84 -0.66 0.00 0.00 -1.52 0.00 0.00 175.55 174.22 3nfu s ALA 255 N -3.04 3.22 -0.18 9.51 0.00 -0.57 -3.90 121.76 126.81 3nfu s ALA 255 Ca 0.01 -0.80 -0.05 0.00 0.00 0.00 0.00 51.96 51.13 3nfu s ALA 255 Cb -0.01 -1.58 -0.03 0.00 0.00 0.00 0.00 23.12 21.51 3nfu s ALA 255 CO -0.08 0.41 -0.00 -2.00 0.00 0.00 0.00 175.76 174.08 3nfu s GLU 256 N -0.30 3.68 -1.36 0.00 2.12 0.22 -1.42 118.70 121.64 3nfu s GLU 256 Ca 0.06 -0.50 -0.18 0.00 0.36 0.00 0.00 54.97 54.72 3nfu s GLU 256 Cb -0.12 -3.04 0.02 0.00 0.26 0.00 0.00 34.13 31.25 3nfu s GLU 256 CO 0.02 0.12 0.40 -0.25 -0.54 0.00 0.00 175.26 175.01 3nfu n ASP 257 N 3.92 -1.89 0.21 -1.70 8.00 -0.20 -3.40 116.55 121.49 3nfu n ASP 257 Ca -0.17 -1.26 0.06 0.00 0.71 0.00 0.00 54.79 54.13 3nfu n ASP 257 Cb 0.52 -1.81 0.46 0.00 -0.02 0.00 0.00 41.12 40.27 3nfu n ASP 257 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3nfu h PRO 258 N -2.22 0.00 0.00 -0.24 0.13 -1.86 0.30 132.00 128.11 3nfu h PRO 258 Ca -0.69 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.39 3nfu h PRO 258 Cb 1.40 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.52 3nfu h PRO 258 CO 0.60 0.29 -0.05 0.00 -0.23 0.00 0.00 178.00 178.61 3nfu n GLY 260 N 0.87 2.25 3.70 0.00 0.00 -1.25 -4.26 105.19 106.50 3nfu n GLY 260 Ca 0.00 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 3nfu n GLY 260 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3nfu n GLN 261 N 0.00 2.56 -3.53 1.61 7.27 -1.26 -4.26 117.38 119.77 3nfu n GLN 261 Ca 0.00 0.93 -0.00 0.00 0.07 0.00 0.00 57.00 57.99 3nfu n GLN 261 Cb 0.00 -2.75 -0.04 0.00 2.41 0.00 0.00 30.24 29.86 3nfu n GLN 261 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 3nfu s GLU 262 N 1.10 0.44 -1.32 3.69 2.12 -0.39 -4.92 118.70 119.41 3nfu s GLU 262 Ca 0.76 1.05 -0.20 0.00 0.36 0.00 0.00 54.97 56.94 3nfu s GLU 262 Cb -0.56 0.58 0.02 0.00 0.26 0.00 0.00 34.13 34.43 3nfu s GLU 262 CO 0.34 -0.14 0.47 0.41 -0.54 0.00 0.00 175.26 175.80 3nfu n GLY 263 N 5.05 -0.59 2.04 -1.50 0.00 -1.26 -0.56 105.19 108.37 3nfu n GLY 263 Ca -0.11 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3nfu n GLY 263 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nfu n GLY 264 N -2.18 3.23 3.83 -0.02 0.00 -1.26 -5.03 105.19 103.76 3nfu n GLY 264 Ca -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 3nfu n GLY 264 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3nfu s PHE 265 N -1.96 3.71 0.76 1.61 0.08 0.27 -5.09 117.98 117.37 3nfu s PHE 265 Ca 0.00 1.16 -0.12 0.00 0.12 0.00 0.00 56.93 58.10 3nfu s PHE 265 Cb 0.00 -2.43 0.05 0.00 -0.57 0.00 0.00 43.02 40.07 3nfu s PHE 265 CO 0.00 0.52 1.14 -1.54 -0.10 0.00 0.00 175.22 175.24 3nfu s SER 266 N -1.39 4.89 0.32 1.36 1.04 -1.26 -1.26 113.70 117.41 3nfu s SER 266 Ca 0.33 0.91 0.01 0.00 0.48 0.00 0.00 55.95 57.67 3nfu s SER 266 Cb -0.17 -1.53 0.54 0.00 0.10 0.00 0.00 66.02 64.96 3nfu s SER 266 CO 0.19 -1.67 1.95 1.23 0.98 0.00 0.00 173.24 175.92 3nfu h GLY 267 N -0.88 0.91 1.08 7.32 0.00 -1.92 -1.97 103.07 107.61 3nfu h GLY 267 Ca -0.46 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 46.41 3nfu h GLY 267 CO 0.65 0.38 0.20 3.21 0.00 0.00 0.00 176.54 180.99 3nfu h ARG 268 N 0.86 1.15 -0.06 4.80 3.08 -1.91 -1.68 114.38 120.62 3nfu h ARG 268 Ca 0.22 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 3nfu h ARG 268 Cb 0.03 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 29.92 3nfu h ARG 268 CO -0.04 0.99 0.01 0.93 -1.07 0.00 0.00 179.97 180.79 3nfu h GLU 269 N 1.09 0.09 -0.26 0.04 5.08 -1.81 -1.82 114.58 116.99 3nfu h GLU 269 Ca 0.23 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.48 3nfu h GLU 269 Cb 0.34 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3nfu h GLU 269 CO -0.00 0.33 -0.20 1.79 -1.00 0.00 0.00 179.01 179.92 3nfu h THR 270 N -0.15 1.25 -0.09 1.13 1.35 -1.35 -2.59 112.91 112.46 3nfu h THR 270 Ca 0.02 -1.16 -0.17 0.00 -0.55 0.00 0.00 66.41 64.55 3nfu h THR 270 Cb 0.28 1.28 -0.01 0.00 -1.73 0.00 0.00 68.15 67.97 3nfu h THR 270 CO 0.00 0.37 -0.67 0.24 -0.25 0.00 0.00 175.52 175.22 3nfu h MET 271 N 0.42 0.38 -0.54 4.72 2.86 -1.31 0.21 114.93 121.67 3nfu h MET 271 Ca 0.07 -0.28 -0.02 0.00 -2.06 0.00 0.00 59.70 57.40 3nfu h MET 271 Cb 0.59 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.28 3nfu h MET 271 CO 0.04 0.91 0.25 0.00 1.06 0.00 0.00 176.91 179.17 3nfu h ALA 272 N 1.02 0.70 -0.69 6.32 0.00 -1.24 -1.30 119.26 124.06 3nfu h ALA 272 Ca -0.02 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3nfu h ALA 272 Cb 1.22 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 3nfu h ALA 272 CO 0.11 0.27 0.17 1.49 0.00 0.00 0.00 179.25 181.29 3nfu h GLU 273 N 0.73 1.10 -0.31 0.00 4.57 -1.33 -2.17 114.58 117.17 3nfu h GLU 273 Ca 0.18 -0.26 0.02 0.00 -1.18 0.00 0.00 59.36 58.12 3nfu h GLU 273 Cb 0.13 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 3nfu h GLU 273 CO -0.02 0.97 0.16 0.35 -1.18 0.00 0.00 179.01 179.29 3nfu h PHE 274 N 1.05 0.30 -0.68 0.92 3.57 -0.65 -1.34 116.94 120.11 3nfu h PHE 274 Ca 0.22 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.81 3nfu h PHE 274 Cb 0.37 -0.09 -0.07 0.00 2.79 0.00 0.00 35.95 38.95 3nfu h PHE 274 CO 0.03 0.17 0.34 0.87 -2.23 0.00 0.00 178.31 177.48 3nfu h LYS 275 N 0.33 0.57 -0.43 1.11 1.57 -1.08 -1.37 116.57 117.28 3nfu h LYS 275 Ca 0.12 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.76 3nfu h LYS 275 Cb 0.03 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3nfu h LYS 275 CO -0.08 0.38 -0.14 0.87 -0.57 0.00 0.00 179.45 179.91 3nfu h LYS 276 N 0.59 0.85 0.00 3.15 1.57 -1.11 -0.63 116.57 120.99 3nfu h LYS 276 Ca 0.33 -0.35 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 3nfu h LYS 276 Cb 0.32 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 3nfu h LYS 276 CO -0.25 0.98 -0.46 0.00 -0.57 0.00 0.00 179.45 179.16 3nfu h ARG 277 N 0.68 0.00 0.00 3.15 3.08 -1.03 -3.38 114.38 116.88 3nfu h ARG 277 Ca 0.10 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.96 3nfu h ARG 277 Cb 0.69 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.71 3nfu h ARG 277 CO 0.05 0.46 -1.74 0.25 -1.07 0.00 0.00 179.97 177.91 3nfu n THR 278 N -3.42 0.75 -0.86 2.04 -2.24 -0.54 -5.01 114.28 105.00 3nfu n THR 278 Ca 0.01 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 3nfu n THR 278 Cb 0.61 -0.88 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 3nfu n THR 278 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3nfu n GLY 279 N 2.68 0.82 3.74 3.38 0.00 -0.25 -5.04 105.19 110.53 3nfu n GLY 279 Ca -0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 3nfu n GLY 279 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3nfu s LEU 280 N 0.00 4.35 0.72 0.99 2.96 -1.26 -5.06 118.68 121.39 3nfu s LEU 280 Ca 0.00 1.11 -0.14 0.00 -0.22 0.00 0.00 54.13 54.88 3nfu s LEU 280 Cb 0.00 -2.95 0.04 0.00 0.50 0.00 0.00 46.19 43.78 3nfu s LEU 280 CO 0.00 0.00 1.17 -2.84 -1.32 0.00 0.00 176.35 173.36 3nfu s PRO 281 N 0.32 2.26 0.19 0.98 0.02 -1.26 -4.61 135.00 132.90 3nfu s PRO 281 Ca 0.33 1.61 0.10 0.00 0.02 0.00 0.00 61.00 63.05 3nfu s PRO 281 Cb -0.17 -1.86 -0.04 0.00 0.02 0.00 0.00 34.50 32.44 3nfu s PRO 281 CO 0.16 -1.71 -0.19 0.95 -0.33 0.00 0.00 177.00 175.88 3nfu s THR 282 N -2.18 2.04 0.15 0.99 -4.23 -1.26 -1.51 115.64 109.64 3nfu s THR 282 Ca 0.71 -2.05 0.04 0.00 -1.18 0.00 0.00 61.69 59.21 3nfu s THR 282 Cb -0.25 -2.00 -0.04 0.00 1.34 0.00 0.00 72.50 71.54 3nfu s THR 282 CO 0.45 -0.32 -0.09 0.00 -0.54 0.00 0.00 174.62 174.13 3nfu s ALA 283 N -2.14 1.46 -0.04 3.99 0.00 -0.51 0.15 121.76 124.68 3nfu s ALA 283 Ca 0.20 -1.52 -0.15 0.00 0.00 0.00 0.00 51.96 50.50 3nfu s ALA 283 Cb -0.06 0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.21 3nfu s ALA 283 CO 0.09 -0.13 0.33 -0.08 0.00 0.00 0.00 175.76 175.97 3nfu s THR 284 N -3.37 0.04 -0.08 0.00 -1.32 -0.89 -1.03 115.64 108.99 3nfu s THR 284 Ca 0.18 -0.36 0.12 0.00 -1.21 0.00 0.00 61.69 60.42 3nfu s THR 284 Cb 0.03 -0.60 0.18 0.00 -1.51 0.00 0.00 72.50 70.60 3nfu s THR 284 CO 0.01 -0.20 1.08 -0.46 -2.21 0.00 0.00 174.62 172.84 3nfu n ASN 285 N 1.61 1.98 -0.01 8.08 6.94 -1.26 -1.47 115.26 131.14 3nfu n ASN 285 Ca -0.20 -2.65 -0.01 0.00 -0.02 0.00 0.00 54.58 51.70 3nfu n ASN 285 Cb 0.56 -0.29 -0.01 0.00 -2.36 0.00 0.00 39.78 37.69 3nfu n ASN 285 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 3nfu n MET 286 N -1.03 0.03 -0.03 -3.83 2.81 -1.26 -4.87 117.12 108.94 3nfu n MET 286 Ca 0.10 0.01 0.01 0.00 -1.81 0.00 0.00 57.70 56.01 3nfu n MET 286 Cb 0.54 -1.02 0.03 0.00 -0.71 0.00 0.00 33.22 32.06 3nfu n MET 286 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 3nfu n ILE 287 N -2.54 1.07 -3.10 2.02 -6.64 -1.26 -4.59 119.36 104.32 3nfu n ILE 287 Ca -0.02 -1.09 -0.20 0.00 -1.77 0.00 0.00 62.75 59.67 3nfu n ILE 287 Cb 0.52 0.45 -0.03 0.00 -1.44 0.00 0.00 39.64 39.13 3nfu n ILE 287 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3nfu n ALA 288 N -0.45 1.62 0.35 -1.28 0.00 -1.26 -4.57 120.51 114.92 3nfu n ALA 288 Ca 0.03 -3.02 0.04 0.00 0.00 0.00 0.00 53.44 50.49 3nfu n ALA 288 Cb 0.30 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.82 3nfu n ALA 288 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3nfu n THR 289 N 1.11 0.00 -4.19 0.00 -2.24 -1.26 -4.76 114.28 102.94 3nfu n THR 289 Ca 0.19 -0.43 -0.17 0.00 -2.27 0.00 0.00 64.05 61.38 3nfu n THR 289 Cb 0.59 1.10 -0.06 0.00 -2.10 0.00 0.00 70.33 69.85 3nfu n THR 289 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3nfu s ASP 290 N -1.11 1.29 0.23 3.42 1.47 -1.26 -4.79 116.67 115.92 3nfu s ASP 290 Ca 0.07 -1.63 -0.01 0.00 1.18 0.00 0.00 52.55 52.16 3nfu s ASP 290 Cb 0.06 0.60 0.26 0.00 -0.34 0.00 0.00 42.92 43.50 3nfu s ASP 290 CO 0.19 -1.17 1.64 1.88 0.68 0.00 0.00 175.17 178.39 3nfu h TYR 291 N 2.14 0.70 -0.31 2.11 0.05 -1.98 -0.72 116.97 118.96 3nfu h TYR 291 Ca -0.27 -0.17 -0.03 0.00 0.05 0.00 0.00 58.73 58.31 3nfu h TYR 291 Cb 1.24 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 38.80 3nfu h TYR 291 CO 1.57 0.85 0.09 -0.22 -1.05 0.00 0.00 178.16 179.40 3nfu h LYS 292 N 0.52 0.49 -0.66 4.88 1.63 -1.99 -0.12 116.57 121.31 3nfu h LYS 292 Ca 0.06 -0.11 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 3nfu h LYS 292 Cb 0.79 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.32 3nfu h LYS 292 CO 0.06 0.54 0.43 1.96 -3.45 0.00 0.00 179.45 178.98 3nfu h GLN 293 N 0.34 0.88 -0.99 1.90 4.20 -1.85 -2.83 115.11 116.76 3nfu h GLN 293 Ca 0.10 -0.06 0.04 0.00 0.06 0.00 0.00 58.65 58.78 3nfu h GLN 293 Cb 0.25 -0.19 -0.06 0.00 0.30 0.00 0.00 27.48 27.78 3nfu h GLN 293 CO -0.00 0.60 0.65 1.25 -0.67 0.00 0.00 178.83 180.65 3nfu h LEU 294 N 0.90 1.09 -0.19 1.46 5.85 -0.91 -0.85 115.31 122.65 3nfu h LEU 294 Ca 0.24 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.98 3nfu h LEU 294 Cb -0.08 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.67 3nfu h LEU 294 CO -0.05 0.75 0.01 -0.61 -0.34 0.00 0.00 178.44 178.19 3nfu h GLN 295 N 1.26 0.07 -0.11 1.25 4.15 -0.78 0.17 115.11 121.12 3nfu h GLN 295 Ca 0.39 -0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.67 3nfu h GLN 295 Cb -0.01 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 3nfu h GLN 295 CO -0.12 0.05 -0.54 1.88 -1.93 0.00 0.00 178.83 178.17 3nfu h TYR 296 N 0.07 0.39 -0.35 3.99 0.05 -1.32 -1.63 116.97 118.18 3nfu h TYR 296 Ca 0.09 -0.14 -0.01 0.00 0.05 0.00 0.00 58.73 58.73 3nfu h TYR 296 Cb 0.11 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 37.76 3nfu h TYR 296 CO -0.17 0.79 0.19 0.00 -1.05 0.00 0.00 178.16 177.92 3nfu h ALA 297 N 1.18 0.45 -0.58 3.88 0.00 -0.87 -1.22 119.26 122.10 3nfu h ALA 297 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3nfu h ALA 297 Cb 1.03 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3nfu h ALA 297 CO 0.09 -0.02 0.29 0.28 0.00 0.00 0.00 179.25 179.89 3nfu h VAL 298 N 0.44 1.20 -0.88 0.00 2.07 -0.86 -0.13 116.25 118.09 3nfu h VAL 298 Ca 0.12 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 3nfu h VAL 298 Cb 0.07 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 3nfu h VAL 298 CO -0.02 0.23 0.51 -0.61 0.02 0.00 0.00 177.57 177.70 3nfu h GLN 299 N 0.79 1.21 -0.02 1.57 5.75 -1.10 -2.84 115.11 120.47 3nfu h GLN 299 Ca 0.20 -0.12 0.00 0.00 -0.15 0.00 0.00 58.65 58.58 3nfu h GLN 299 Cb 0.10 -0.25 0.00 0.00 1.07 0.00 0.00 27.48 28.40 3nfu h GLN 299 CO -0.03 0.86 -0.10 1.28 -2.65 0.00 0.00 178.83 178.20 3nfu n LEU 300 N -4.35 1.89 -3.80 -2.39 4.77 -0.48 -4.98 117.00 107.67 3nfu n LEU 300 Ca 0.10 -0.62 -0.32 0.00 -0.03 0.00 0.00 56.01 55.13 3nfu n LEU 300 Cb 0.08 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.17 3nfu n LEU 300 CO 0.38 0.32 -0.12 -3.20 -1.33 0.00 0.00 177.39 173.44 3nfu n ASN 301 N 0.34 -4.05 0.05 -1.43 5.15 -0.23 -4.74 115.26 110.35 3nfu n ASN 301 Ca 0.15 -1.06 0.03 0.00 -0.60 0.00 0.00 54.58 53.11 3nfu n ASN 301 Cb 0.43 -3.07 -0.06 0.00 -0.53 0.00 0.00 39.78 36.56 3nfu n ASN 301 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 3nfu h SER 302 N -1.99 0.00 -3.30 1.20 0.02 -1.37 -3.41 113.55 104.71 3nfu h SER 302 Ca -0.66 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 59.93 3nfu h SER 302 Cb 1.37 0.00 -0.38 0.00 0.14 0.00 0.00 62.40 63.53 3nfu h SER 302 CO 0.52 0.43 -0.72 -0.69 -1.14 0.00 0.00 176.83 175.22 3nfu s VAL 303 N -3.04 -0.13 0.01 2.27 1.01 -1.26 -4.28 120.40 114.98 3nfu s VAL 303 Ca -0.02 0.40 -0.08 0.00 0.00 0.00 0.00 61.98 62.29 3nfu s VAL 303 Cb 0.09 -0.16 -0.30 0.00 0.00 0.00 0.00 36.38 36.00 3nfu s VAL 303 CO 0.80 0.17 0.89 0.44 0.00 0.00 0.00 175.10 177.40 3nfu h ASP 304 N 8.34 0.54 -3.66 3.32 3.32 -1.61 -3.45 116.42 123.22 3nfu h ASP 304 Ca -0.15 -0.69 -0.62 0.00 0.02 0.00 0.00 57.03 55.59 3nfu h ASP 304 Cb 1.12 -0.18 -0.40 0.00 0.22 0.00 0.00 39.33 40.09 3nfu h ASP 304 CO 0.17 1.57 -0.71 -0.63 -1.72 0.00 0.00 179.24 177.92 3nfu s ILE 305 N -2.61 1.73 -0.12 0.35 1.01 0.12 -0.98 121.20 120.71 3nfu s ILE 305 Ca -0.10 -2.43 -0.29 0.00 0.00 0.00 0.00 60.65 57.82 3nfu s ILE 305 Cb 0.06 -2.24 -0.03 0.00 0.01 0.00 0.00 42.46 40.26 3nfu s ILE 305 CO 0.88 -0.77 1.31 -2.16 0.00 0.00 0.00 174.94 174.20 3nfu s PRO 306 N 0.60 4.25 -1.09 2.79 0.05 -1.25 -2.10 135.00 138.26 3nfu s PRO 306 Ca 0.14 1.75 -0.18 0.00 0.05 0.00 0.00 61.00 62.77 3nfu s PRO 306 Cb -0.22 -3.74 0.12 0.00 0.05 0.00 0.00 34.50 30.71 3nfu s PRO 306 CO -0.07 -0.66 1.38 -0.51 0.05 0.00 0.00 177.00 177.18 3nfu s LEU 307 N 3.23 4.55 -1.40 -3.56 1.43 -0.54 -2.62 118.68 119.76 3nfu s LEU 307 Ca 0.58 -2.26 -0.13 0.00 -1.03 0.00 0.00 54.13 51.29 3nfu s LEU 307 Cb -0.24 -2.46 0.08 0.00 0.03 0.00 0.00 46.19 43.59 3nfu s LEU 307 CO 0.19 -1.08 2.09 0.00 0.23 0.00 0.00 176.35 177.77 3nfu n ALA 308 N 7.06 5.31 -1.66 4.21 0.00 -0.51 -3.71 120.51 131.21 3nfu n ALA 308 Ca 0.33 -3.99 -0.47 0.00 0.00 0.00 0.00 53.44 49.31 3nfu n ALA 308 Cb 0.47 -3.40 -0.05 0.00 0.00 0.00 0.00 19.45 16.48 3nfu n ALA 308 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3nfu n ASP 309 N 5.73 2.88 0.24 0.00 -0.08 -1.26 -4.69 116.55 119.37 3nfu n ASP 309 Ca 0.48 1.08 0.16 0.00 -1.51 0.00 0.00 54.79 55.00 3nfu n ASP 309 Cb 0.39 -1.38 0.65 0.00 2.34 0.00 0.00 41.12 43.12 3nfu n ASP 309 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3nfu h HIS 311 N 0.00 0.24 -0.00 0.00 3.86 -1.89 -0.64 115.15 116.71 3nfu h HIS 311 Ca 0.00 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 3nfu h HIS 311 Cb 0.46 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.88 3nfu h HIS 311 CO 0.00 0.68 -0.42 1.97 0.86 0.00 0.00 177.93 181.02 3nfu n PHE 312 N -3.93 0.00 0.48 2.45 1.16 -1.09 -3.74 117.46 112.79 3nfu n PHE 312 Ca -0.02 0.00 0.09 0.00 -1.87 0.00 0.00 57.45 55.66 3nfu n PHE 312 Cb 0.56 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 38.30 3nfu n PHE 312 CO 0.00 0.00 0.00 0.91 -1.87 0.00 0.00 176.76 175.80 3nfu n TRP 313 N -0.72 0.00 -0.56 2.97 7.02 -0.66 -4.85 117.44 120.64 3nfu n TRP 313 Ca 0.04 0.00 0.05 0.00 -1.02 0.00 0.00 57.50 56.57 3nfu n TRP 313 Cb 0.24 -0.21 -0.03 0.00 -2.42 0.00 0.00 31.31 28.89 3nfu n TRP 313 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 3nfu n THR 314 N -1.79 -0.51 -0.00 -0.99 -2.24 -0.25 -3.67 114.28 104.83 3nfu n THR 314 Ca 0.00 0.41 -0.12 0.00 -2.27 0.00 0.00 64.05 62.07 3nfu n THR 314 Cb 0.40 -0.63 -0.07 0.00 -2.10 0.00 0.00 70.33 67.93 3nfu n THR 314 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 3nfu h MET 315 N -0.43 0.10 -0.57 -0.78 0.00 -1.91 0.31 114.93 111.65 3nfu h MET 315 Ca -0.06 -0.02 -0.05 0.00 0.00 0.00 0.00 59.70 59.57 3nfu h MET 315 Cb 0.50 -0.02 -0.03 0.00 0.00 0.00 0.00 31.60 32.06 3nfu h MET 315 CO 0.02 0.23 0.15 1.96 0.00 0.00 0.00 176.91 179.28 3nfu h GLN 316 N -0.06 0.87 -0.27 1.72 4.20 -1.93 -2.26 115.11 117.38 3nfu h GLN 316 Ca 0.02 -0.17 -0.14 0.00 0.06 0.00 0.00 58.65 58.42 3nfu h GLN 316 Cb 0.17 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 3nfu h GLN 316 CO -0.00 0.77 -0.36 0.78 -0.67 0.00 0.00 178.83 179.34 3nfu h GLY 317 N 0.99 0.79 1.02 3.46 0.00 -1.57 -0.69 103.07 107.05 3nfu h GLY 317 Ca 0.19 -0.86 0.02 0.00 0.00 0.00 0.00 47.33 46.68 3nfu h GLY 317 CO -0.00 0.77 0.62 0.00 0.00 0.00 0.00 176.54 177.92 3nfu h ALA 318 N 0.67 1.37 -0.24 3.60 0.00 -0.29 -1.42 119.26 122.96 3nfu h ALA 318 Ca 0.03 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 3nfu h ALA 318 Cb 0.95 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3nfu h ALA 318 CO 0.09 0.56 -0.28 0.28 0.00 0.00 0.00 179.25 179.89 3nfu h VAL 319 N 1.22 1.32 -0.83 0.00 2.07 -1.25 -2.67 116.25 116.11 3nfu h VAL 319 Ca 0.36 -1.46 0.12 0.00 0.82 0.00 0.00 66.70 66.53 3nfu h VAL 319 Cb -0.06 1.71 -0.08 0.00 -1.52 0.00 0.00 31.29 31.34 3nfu h VAL 319 CO -0.10 0.46 0.45 0.00 0.02 0.00 0.00 177.57 178.40 3nfu h ALA 320 N 0.66 1.20 -0.82 1.67 0.00 -0.75 0.18 119.26 121.40 3nfu h ALA 320 Ca 0.03 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3nfu h ALA 320 Cb 0.85 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 3nfu h ALA 320 CO 0.07 0.00 0.40 0.28 0.00 0.00 0.00 179.25 180.00 3nfu h VAL 321 N 0.70 1.25 -0.77 0.00 2.07 -1.24 -1.46 116.25 116.81 3nfu h VAL 321 Ca 0.42 -0.70 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 3nfu h VAL 321 Cb 0.49 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 3nfu h VAL 321 CO -0.30 0.30 0.31 1.23 0.02 0.00 0.00 177.57 179.13 3nfu h GLY 322 N 1.18 1.24 0.96 2.17 0.00 -0.79 0.29 103.07 108.12 3nfu h GLY 322 Ca 0.28 -0.68 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 3nfu h GLY 322 CO -0.04 0.64 0.17 0.83 0.00 0.00 0.00 176.54 178.14 3nfu h GLU 323 N 1.12 0.72 -0.59 4.80 5.08 -0.78 -2.16 114.58 122.77 3nfu h GLU 323 Ca 0.26 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 3nfu h GLU 323 Cb 0.22 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 3nfu h GLU 323 CO -0.02 0.67 0.14 1.25 -1.00 0.00 0.00 179.01 180.05 3nfu h LEU 324 N 0.63 0.85 -0.54 1.33 5.85 -0.72 -2.46 115.31 120.25 3nfu h LEU 324 Ca 0.16 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3nfu h LEU 324 Cb 0.23 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 3nfu h LEU 324 CO -0.01 0.83 0.34 0.00 -0.34 0.00 0.00 178.44 179.26 3nfu h ASN 326 N 0.73 0.00 0.72 0.00 -1.24 -1.20 -1.66 115.58 112.93 3nfu h ASN 326 Ca 0.20 0.00 -0.26 0.00 0.71 0.00 0.00 56.30 56.95 3nfu h ASN 326 Cb -0.03 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.00 3nfu h ASN 326 CO -0.04 0.25 -1.26 -0.33 -1.29 0.00 0.00 177.43 174.76 3nfu h GLU 327 N 0.00 0.13 -0.23 6.67 4.39 -1.18 -3.40 114.58 120.96 3nfu h GLU 327 Ca -0.00 -0.22 -0.11 0.00 0.34 0.00 0.00 59.36 59.37 3nfu h GLU 327 Cb 0.48 0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 29.15 3nfu h GLU 327 CO 0.03 1.03 -0.17 0.91 -1.16 0.00 0.00 179.01 179.65 3nfu n TRP 328 N -3.39 0.73 -1.30 4.33 8.01 -0.59 -4.96 117.44 120.26 3nfu n TRP 328 Ca -0.08 -1.46 -0.10 0.00 -1.31 0.00 0.00 57.50 54.55 3nfu n TRP 328 Cb 1.00 -0.39 -0.04 0.00 -2.01 0.00 0.00 31.31 29.86 3nfu n TRP 328 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3nfu n GLY 329 N -1.09 1.16 3.99 6.99 0.00 -1.09 -5.00 105.19 110.15 3nfu n GLY 329 Ca 0.27 -0.46 -0.20 0.00 0.00 0.00 0.00 46.02 45.64 3nfu n GLY 329 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3nfu s MET 330 N -2.78 2.48 -0.10 1.61 -1.94 -0.66 -5.03 119.30 112.87 3nfu s MET 330 Ca 0.00 -1.57 0.01 0.00 -1.71 0.00 0.00 55.69 52.42 3nfu s MET 330 Cb 0.00 -2.57 0.02 0.00 2.01 0.00 0.00 34.83 34.29 3nfu s MET 330 CO 0.00 -0.57 -0.12 0.99 -0.01 0.00 0.00 175.02 175.31 3nfu s THR 331 N -2.57 1.26 0.16 2.05 2.01 -0.15 -4.31 115.64 114.09 3nfu s THR 331 Ca 0.54 -0.49 -0.30 0.00 0.31 0.00 0.00 61.69 61.75 3nfu s THR 331 Cb -0.06 -1.19 -0.07 0.00 0.01 0.00 0.00 72.50 71.19 3nfu s THR 331 CO 0.33 0.40 1.19 0.86 -0.69 0.00 0.00 174.62 176.71 3nfu s TRP 332 N 1.14 3.44 0.20 4.92 -0.00 -1.26 -3.83 118.94 123.55 3nfu s TRP 332 Ca -0.05 1.40 0.03 0.00 -0.00 0.00 0.00 56.10 57.49 3nfu s TRP 332 Cb -0.14 -3.42 -0.01 0.00 -0.00 0.00 0.00 33.47 29.90 3nfu s TRP 332 CO -0.03 -1.19 0.11 0.41 -0.00 0.00 0.00 176.95 176.25 3nfu n GLY 333 N 2.43 3.56 2.80 5.86 0.00 -1.08 -1.60 105.19 117.17 3nfu n GLY 333 Ca 0.05 -1.92 -0.16 0.00 0.00 0.00 0.00 46.02 44.00 3nfu n GLY 333 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3nfu s SER 334 N -2.27 0.27 0.48 1.61 0.15 -1.26 -1.42 113.70 111.26 3nfu s SER 334 Ca 0.15 0.14 -0.14 0.00 0.70 0.00 0.00 55.95 56.80 3nfu s SER 334 Cb 0.01 0.02 -0.07 0.00 -1.71 0.00 0.00 66.02 64.27 3nfu s SER 334 CO 0.11 -0.17 0.92 -2.28 1.20 0.00 0.00 173.24 173.02 3nfu s HIS 335 N 1.41 3.47 0.08 3.44 5.04 -1.24 -1.80 115.29 125.68 3nfu s HIS 335 Ca -0.06 1.31 0.02 0.00 -1.54 0.00 0.00 55.06 54.79 3nfu s HIS 335 Cb -0.12 -2.67 -0.04 0.00 0.04 0.00 0.00 32.58 29.79 3nfu s HIS 335 CO -0.04 -0.30 -0.07 0.45 -2.34 0.00 0.00 174.74 172.44 3nfu s SER 336 N -3.17 0.98 0.22 9.88 0.15 -1.26 -4.45 113.70 116.05 3nfu s SER 336 Ca 0.56 -0.85 0.10 0.00 0.70 0.00 0.00 55.95 56.46 3nfu s SER 336 Cb -0.10 0.08 -0.05 0.00 -1.71 0.00 0.00 66.02 64.25 3nfu s SER 336 CO 0.33 -0.39 -0.18 0.20 1.20 0.00 0.00 173.24 174.40 3nfu s ASN 337 N -2.53 2.99 -0.18 5.45 -0.87 -1.26 -4.92 114.94 113.62 3nfu s ASN 337 Ca 0.04 -0.97 -0.41 0.00 -1.57 0.00 0.00 52.86 49.95 3nfu s ASN 337 Cb 0.00 -0.20 -0.18 0.00 -0.02 0.00 0.00 41.25 40.85 3nfu s ASN 337 CO -0.03 -0.05 1.46 0.59 -2.57 0.00 0.00 177.10 176.50 3nfu n ASN 338 N -0.23 1.41 -3.90 -1.22 4.13 -1.26 -4.62 115.26 109.57 3nfu n ASN 338 Ca -0.09 1.13 -0.09 0.00 1.68 0.00 0.00 54.58 57.22 3nfu n ASN 338 Cb 0.59 -1.05 -0.08 0.00 -1.54 0.00 0.00 39.78 37.70 3nfu n ASN 338 CO 0.00 0.00 0.00 -1.38 0.28 0.00 0.00 177.26 176.16 3nfu s HIS 339 N 1.87 0.21 0.16 3.10 -3.43 -1.26 -4.91 115.29 111.03 3nfu s HIS 339 Ca 0.95 -0.64 -0.02 0.00 -0.80 0.00 0.00 55.06 54.55 3nfu s HIS 339 Cb -1.18 -0.12 0.03 0.00 -1.43 0.00 0.00 32.58 29.88 3nfu s HIS 339 CO 0.63 -0.50 0.22 1.19 -2.00 0.00 0.00 174.74 174.27 3nfu n PHE 340 N 0.06 -3.68 1.13 0.38 3.72 -1.26 -4.83 117.46 112.99 3nfu n PHE 340 Ca -0.15 -0.26 0.14 0.00 -0.05 0.00 0.00 57.45 57.12 3nfu n PHE 340 Cb 0.62 -0.16 0.53 0.00 -0.94 0.00 0.00 39.48 39.53 3nfu n PHE 340 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3nfu n ASP 341 N -3.08 0.25 -0.05 4.37 5.75 -1.26 -2.76 116.55 119.77 3nfu n ASP 341 Ca 0.03 -0.01 -0.14 0.00 -0.01 0.00 0.00 54.79 54.66 3nfu n ASP 341 Cb 0.11 -0.19 -0.08 0.00 -1.03 0.00 0.00 41.12 39.93 3nfu n ASP 341 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 3nfu h ILE 342 N 0.14 1.37 -0.81 2.12 2.04 -1.96 -2.86 117.51 117.55 3nfu h ILE 342 Ca 0.00 -1.51 -0.02 0.00 1.00 0.00 0.00 64.86 64.32 3nfu h ILE 342 Cb 0.45 2.05 -0.04 0.00 -0.74 0.00 0.00 36.82 38.54 3nfu h ILE 342 CO 0.00 0.44 0.41 0.28 0.00 0.00 0.00 178.15 179.29 3nfu h SER 343 N -0.02 1.04 -0.77 1.72 0.02 -1.85 -0.77 113.55 112.92 3nfu h SER 343 Ca 0.01 -0.11 0.14 0.00 -0.84 0.00 0.00 61.79 60.98 3nfu h SER 343 Cb 0.83 -0.27 -0.09 0.00 0.14 0.00 0.00 62.40 63.01 3nfu h SER 343 CO 0.05 0.86 0.33 0.25 -1.14 0.00 0.00 176.83 177.19 3nfu h LEU 344 N 1.15 0.35 -0.27 5.07 5.85 -1.52 -0.34 115.31 125.60 3nfu h LEU 344 Ca 0.28 0.10 -0.11 0.00 0.84 0.00 0.00 57.88 59.00 3nfu h LEU 344 Cb 0.08 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 3nfu h LEU 344 CO -0.04 0.14 -0.25 0.00 -0.34 0.00 0.00 178.44 177.95 3nfu h ALA 345 N 1.54 0.39 -0.29 1.25 0.00 -1.10 -2.96 119.26 118.09 3nfu h ALA 345 Ca 0.42 -0.38 0.07 0.00 0.00 0.00 0.00 54.91 55.01 3nfu h ALA 345 Cb 0.61 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.25 3nfu h ALA 345 CO -0.38 0.37 -0.17 0.52 0.00 0.00 0.00 179.25 179.58 3nfu h MET 346 N 0.37 -0.14 -0.50 0.00 2.86 -0.65 -1.87 114.93 115.00 3nfu h MET 346 Ca 0.04 0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.64 3nfu h MET 346 Cb 0.81 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.47 3nfu h MET 346 CO 0.06 -0.09 0.09 0.00 1.06 0.00 0.00 176.91 178.03 3nfu h MET 347 N -0.14 0.77 -0.22 1.72 -0.00 -1.13 -1.01 114.93 114.92 3nfu h MET 347 Ca 0.15 -0.17 -0.01 0.00 -0.00 0.00 0.00 59.70 59.68 3nfu h MET 347 Cb 0.38 -0.11 -0.01 0.00 -0.00 0.00 0.00 31.60 31.85 3nfu h MET 347 CO -0.38 0.72 0.10 1.15 -0.00 0.00 0.00 176.91 178.51 3nfu h THR 348 N 0.74 1.14 -0.58 -0.10 2.02 -1.32 -0.17 112.91 114.65 3nfu h THR 348 Ca 0.16 -0.41 -0.10 0.00 0.77 0.00 0.00 66.41 66.82 3nfu h THR 348 Cb 0.32 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 3nfu h THR 348 CO 0.00 0.14 -0.05 0.45 0.37 0.00 0.00 175.52 176.43 3nfu h HIS 349 N 0.22 1.16 -0.21 3.16 3.86 -1.08 -2.08 115.15 120.18 3nfu h HIS 349 Ca 0.07 -0.22 -0.01 0.00 -1.16 0.00 0.00 60.37 59.05 3nfu h HIS 349 Cb 0.13 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.29 3nfu h HIS 349 CO -0.02 1.04 0.08 0.28 0.86 0.00 0.00 177.93 180.17 3nfu h VAL 350 N 0.95 1.18 -0.09 2.45 2.07 -1.00 -3.06 116.25 118.74 3nfu h VAL 350 Ca 0.16 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 3nfu h VAL 350 Cb 0.61 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 3nfu h VAL 350 CO 0.04 0.17 -0.13 0.00 0.02 0.00 0.00 177.57 177.67 3nfu h ALA 351 N 0.91 1.62 0.00 1.67 0.00 -0.93 -2.70 119.26 119.83 3nfu h ALA 351 Ca 0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3nfu h ALA 351 Cb 0.20 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3nfu h ALA 351 CO -0.00 0.28 -0.03 0.00 0.00 0.00 0.00 179.25 179.49 3nfu h ALA 352 N 1.74 1.07 -0.52 0.00 0.00 -1.27 -2.77 119.26 117.51 3nfu h ALA 352 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3nfu h ALA 352 Cb 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3nfu h ALA 352 CO 0.02 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.31 3nfu n ALA 353 N -2.14 2.37 -2.64 0.00 0.00 -1.02 0.72 120.51 117.81 3nfu n ALA 353 Ca -0.01 -1.13 -0.39 0.00 0.00 0.00 0.00 53.44 51.90 3nfu n ALA 353 Cb 0.20 -0.83 -0.07 0.00 0.00 0.00 0.00 19.45 18.75 3nfu n ALA 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3nfu s PRO 355 N 1.90 3.70 2.26 0.00 0.04 -1.26 -4.81 135.00 136.82 3nfu s PRO 355 Ca 0.21 0.65 0.00 0.00 0.04 0.00 0.00 61.00 61.89 3nfu s PRO 355 Cb -0.15 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.19 3nfu s PRO 355 CO 0.09 -0.35 0.00 0.41 0.04 0.00 0.00 177.00 177.19 3nfu n GLY 356 N -2.16 -1.11 3.77 0.56 0.00 -1.26 -4.68 105.19 100.31 3nfu n GLY 356 Ca 0.04 -1.27 -0.37 0.00 0.00 0.00 0.00 46.02 44.42 3nfu n GLY 356 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3nfu s GLU 357 N 0.00 4.09 0.31 1.61 0.41 -1.26 -5.08 118.70 118.79 3nfu s GLU 357 Ca 0.00 0.21 0.09 0.00 -0.41 0.00 0.00 54.97 54.86 3nfu s GLU 357 Cb 0.00 -3.35 -0.06 0.00 -1.78 0.00 0.00 34.13 28.94 3nfu s GLU 357 CO 0.00 0.40 -0.11 0.96 -0.49 0.00 0.00 175.26 176.03 3nfu s ILE 358 N -0.08 2.13 0.33 -1.63 -4.36 -1.26 -4.46 121.20 111.87 3nfu s ILE 358 Ca 0.20 -2.22 0.01 0.00 -0.26 0.00 0.00 60.65 58.37 3nfu s ILE 358 Cb -0.14 -2.52 -0.03 0.00 1.25 0.00 0.00 42.46 41.02 3nfu s ILE 358 CO 0.07 -0.27 0.52 0.28 0.24 0.00 0.00 174.94 175.78 3nfu s THR 359 N -2.70 5.13 0.17 8.37 -1.32 -0.62 -4.99 115.64 119.67 3nfu s THR 359 Ca 0.31 -0.53 -0.34 0.00 -1.21 0.00 0.00 61.69 59.92 3nfu s THR 359 Cb 0.01 -3.86 -0.14 0.00 -1.51 0.00 0.00 72.50 67.00 3nfu s THR 359 CO 0.15 -0.51 1.49 0.00 -2.21 0.00 0.00 174.62 173.54 3nfu n ALA 360 N -1.69 0.88 -1.78 11.08 0.00 -1.26 -4.74 120.51 123.00 3nfu n ALA 360 Ca -0.05 0.45 -0.38 0.00 0.00 0.00 0.00 53.44 53.46 3nfu n ALA 360 Cb 0.56 -2.28 -0.06 0.00 0.00 0.00 0.00 19.45 17.67 3nfu n ALA 360 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3nfu s ILE 361 N 0.60 4.08 0.47 0.00 -4.36 -0.11 -4.58 121.20 117.30 3nfu s ILE 361 Ca 0.77 1.77 -0.22 0.00 -0.26 0.00 0.00 60.65 62.72 3nfu s ILE 361 Cb -0.72 -4.01 -0.08 0.00 1.25 0.00 0.00 42.46 38.91 3nfu s ILE 361 CO 0.42 0.19 1.10 -1.81 0.24 0.00 0.00 174.94 175.08 3nfu s ASP 362 N -1.50 6.27 -0.15 4.36 1.11 -0.75 -1.56 116.67 124.46 3nfu s ASP 362 Ca 0.50 2.12 -0.20 0.00 0.18 0.00 0.00 52.55 55.15 3nfu s ASP 362 Cb -0.21 -2.58 0.05 0.00 1.07 0.00 0.00 42.92 41.25 3nfu s ASP 362 CO 0.27 -0.84 0.52 0.28 1.18 0.00 0.00 175.17 176.57 3nfu s THR 363 N -1.73 0.01 -2.23 -1.27 -1.32 -1.26 -4.50 115.64 103.34 3nfu s THR 363 Ca 0.65 -0.08 0.21 0.00 -1.21 0.00 0.00 61.69 61.26 3nfu s THR 363 Cb -0.23 -0.76 0.49 0.00 -1.51 0.00 0.00 72.50 70.49 3nfu s THR 363 CO 0.28 -0.04 1.61 1.41 -2.21 0.00 0.00 174.62 175.67 3nfu n HIS 364 N 2.25 0.14 -0.32 9.09 8.25 -1.26 -4.23 115.22 129.15 3nfu n HIS 364 Ca -0.16 -0.07 0.15 0.00 -0.26 0.00 0.00 57.72 57.38 3nfu n HIS 364 Cb 0.56 0.00 0.38 0.00 1.12 0.00 0.00 29.99 32.05 3nfu n HIS 364 CO 0.00 0.00 0.00 2.35 0.64 0.00 0.00 176.34 179.33 3nfu h TRP 365 N 1.72 0.89 -0.31 4.41 2.91 -1.93 0.13 115.95 123.77 3nfu h TRP 365 Ca 0.00 0.03 0.09 0.00 1.13 0.00 0.00 58.89 60.14 3nfu h TRP 365 Cb 0.38 -0.27 -0.01 0.00 -0.51 0.00 0.00 29.16 28.74 3nfu h TRP 365 CO 0.07 0.23 0.26 -0.84 -1.03 0.00 0.00 178.44 177.13 3nfu h ILE 366 N 0.66 0.64 0.00 2.65 3.07 -1.96 0.18 117.51 122.76 3nfu h ILE 366 Ca 0.53 0.00 -0.12 0.00 1.55 0.00 0.00 64.86 66.83 3nfu h ILE 366 Cb 0.96 0.80 -0.02 0.00 -0.27 0.00 0.00 36.82 38.30 3nfu h ILE 366 CO -0.30 0.00 -0.64 -0.50 -1.05 0.00 0.00 178.15 175.66 3nfu h TRP 367 N 0.00 0.00 -0.00 0.16 4.06 -1.10 -3.34 115.95 115.73 3nfu h TRP 367 Ca 0.15 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.10 3nfu h TRP 367 Cb 0.67 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.83 3nfu h TRP 367 CO 0.00 0.54 -0.73 1.04 -3.56 0.00 0.00 178.44 175.74 3nfu n GLN 368 N -3.20 1.34 -1.66 0.49 3.00 -0.24 -4.74 117.38 112.38 3nfu n GLN 368 Ca 0.01 -0.18 -0.47 0.00 -0.01 0.00 0.00 57.00 56.35 3nfu n GLN 368 Cb 0.76 -1.32 -0.04 0.00 0.00 0.00 0.00 30.24 29.64 3nfu n GLN 368 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 3nfu n ASP 369 N -1.14 2.96 0.00 1.08 2.03 0.47 -1.26 116.55 120.69 3nfu n ASP 369 Ca 0.04 1.08 0.00 0.00 0.52 0.00 0.00 54.79 56.44 3nfu n ASP 369 Cb 0.29 -1.40 0.00 0.00 -0.72 0.00 0.00 41.12 39.29 3nfu n ASP 369 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3nfu n GLY 370 N 3.35 2.50 3.87 0.27 0.00 -1.26 -5.06 105.19 108.86 3nfu n GLY 370 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 3nfu n GLY 370 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3nfu s GLN 371 N -0.31 3.12 -0.12 1.61 -0.21 -0.39 -5.13 119.66 118.23 3nfu s GLN 371 Ca 0.00 -0.90 -0.30 0.00 0.02 0.00 0.00 55.36 54.18 3nfu s GLN 371 Cb 0.00 -2.71 0.11 0.00 1.00 0.00 0.00 33.01 31.41 3nfu s GLN 371 CO 0.00 0.43 0.91 -0.98 -2.12 0.00 0.00 175.29 173.53 3nfu s ARG 372 N -3.71 0.73 0.00 2.91 1.70 -1.26 -4.89 118.95 114.43 3nfu s ARG 372 Ca 0.33 0.13 0.00 0.00 -0.47 0.00 0.00 55.73 55.72 3nfu s ARG 372 Cb -0.09 0.35 0.00 0.00 -0.57 0.00 0.00 34.95 34.64 3nfu s ARG 372 CO 0.26 -0.24 0.34 0.44 -1.08 0.00 0.00 175.30 175.02 3nfu n ILE 373 N 0.68 0.00 -3.52 4.99 -5.35 -1.26 -4.73 119.36 110.17 3nfu n ILE 373 Ca -0.12 -0.43 -0.20 0.00 -0.27 0.00 0.00 62.75 61.74 3nfu n ILE 373 Cb 0.58 1.12 -0.02 0.00 -1.74 0.00 0.00 39.64 39.58 3nfu n ILE 373 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3nfu s THR 374 N -0.17 3.48 0.13 7.28 -4.23 -1.26 -0.28 115.64 120.58 3nfu s THR 374 Ca 0.00 -1.18 -0.14 0.00 -1.18 0.00 0.00 61.69 59.19 3nfu s THR 374 Cb 0.00 -3.20 -0.01 0.00 1.34 0.00 0.00 72.50 70.63 3nfu s THR 374 CO 0.00 -0.11 1.59 0.03 -0.54 0.00 0.00 174.62 175.59 3nfu h ARG 375 N 0.99 0.73 -2.61 3.99 3.08 -0.47 -3.41 114.38 116.67 3nfu h ARG 375 Ca -0.44 -0.22 -0.59 0.00 0.07 0.00 0.00 59.98 58.80 3nfu h ARG 375 Cb 1.26 -0.07 -0.39 0.00 0.08 0.00 0.00 29.97 30.85 3nfu h ARG 375 CO 0.54 0.79 -0.85 -1.21 -1.07 0.00 0.00 179.97 178.17 3nfu s GLU 376 N -5.06 0.78 0.43 0.04 2.02 -1.26 -5.07 118.70 110.57 3nfu s GLU 376 Ca -0.13 -1.64 -0.26 0.00 0.02 0.00 0.00 54.97 52.96 3nfu s GLU 376 Cb 0.10 -1.53 -0.09 0.00 0.10 0.00 0.00 34.13 32.71 3nfu s GLU 376 CO 0.79 -1.24 1.45 -0.35 0.02 0.00 0.00 175.26 175.94 3nfu n PRO 377 N 3.67 2.40 -1.68 0.39 -0.04 -1.26 -4.92 135.00 133.57 3nfu n PRO 377 Ca 0.15 0.85 -0.38 0.00 -0.04 0.00 0.00 63.50 64.08 3nfu n PRO 377 Cb 0.39 -2.65 0.05 0.00 -0.04 0.00 0.00 33.50 31.25 3nfu n PRO 377 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3nfu n PHE 378 N 0.01 1.53 -4.82 0.54 3.01 -1.26 -4.99 117.46 111.48 3nfu n PHE 378 Ca 0.04 0.44 -0.33 0.00 1.01 0.00 0.00 57.45 58.61 3nfu n PHE 378 Cb 0.40 -2.24 -0.14 0.00 -0.01 0.00 0.00 39.48 37.50 3nfu n PHE 378 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 3nfu s GLN 379 N -2.84 2.96 -0.39 -1.08 -0.21 -1.26 -5.08 119.66 111.77 3nfu s GLN 379 Ca 0.75 -0.68 -0.22 0.00 0.02 0.00 0.00 55.36 55.22 3nfu s GLN 379 Cb -0.42 -2.52 0.01 0.00 1.00 0.00 0.00 33.01 31.08 3nfu s GLN 379 CO 0.47 0.42 0.74 0.42 -2.12 0.00 0.00 175.29 175.22 3nfu s ILE 380 N -0.19 4.76 -0.04 1.08 1.01 -1.26 -4.44 121.20 122.12 3nfu s ILE 380 Ca 0.00 0.65 0.01 0.00 0.00 0.00 0.00 60.65 61.32 3nfu s ILE 380 Cb -0.13 -4.20 0.02 0.00 0.01 0.00 0.00 42.46 38.15 3nfu s ILE 380 CO 0.03 -0.48 -0.06 0.00 0.00 0.00 0.00 174.94 174.43 3nfu s ARG 381 N 3.03 0.92 -1.46 2.79 1.70 -0.24 -4.63 118.95 121.06 3nfu s ARG 381 Ca 0.29 -0.16 -0.09 0.00 -0.47 0.00 0.00 55.73 55.29 3nfu s ARG 381 Cb -0.13 -0.88 0.05 0.00 -0.57 0.00 0.00 34.95 33.41 3nfu s ARG 381 CO 0.18 -0.05 0.81 -0.25 -1.08 0.00 0.00 175.30 174.91 3nfu n ASP 382 N 3.91 -5.23 -0.52 -2.89 8.00 -0.62 -1.80 116.55 117.40 3nfu n ASP 382 Ca -0.24 -0.51 -0.07 0.00 0.71 0.00 0.00 54.79 54.67 3nfu n ASP 382 Cb 0.51 -4.20 -0.03 0.00 -0.02 0.00 0.00 41.12 37.38 3nfu n ASP 382 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3nfu n GLY 383 N -1.59 0.89 3.07 0.44 0.00 -0.39 -4.77 105.19 102.85 3nfu n GLY 383 Ca -0.02 -0.53 -0.16 0.00 0.00 0.00 0.00 46.02 45.31 3nfu n GLY 383 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3nfu s LYS 384 N -2.34 0.64 -0.10 1.61 1.02 -0.74 -0.48 119.74 119.34 3nfu s LYS 384 Ca 0.00 -0.67 -0.01 0.00 0.02 0.00 0.00 55.97 55.32 3nfu s LYS 384 Cb 0.00 -0.53 -0.03 0.00 -0.52 0.00 0.00 37.83 36.75 3nfu s LYS 384 CO 0.00 0.12 -0.06 -0.51 -0.92 0.00 0.00 175.35 173.98 3nfu s LEU 385 N -1.20 3.18 -0.05 3.17 1.43 0.66 -1.08 118.68 124.79 3nfu s LEU 385 Ca -0.04 -0.07 -0.25 0.00 -1.03 0.00 0.00 54.13 52.74 3nfu s LEU 385 Cb -0.08 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 3nfu s LEU 385 CO 0.01 0.29 0.78 -0.89 0.23 0.00 0.00 176.35 176.77 3nfu s THR 386 N -0.39 4.99 -0.32 5.49 2.01 -1.26 -0.54 115.64 125.62 3nfu s THR 386 Ca 0.06 1.62 -0.20 0.00 0.31 0.00 0.00 61.69 63.47 3nfu s THR 386 Cb -0.12 -4.12 -0.01 0.00 0.01 0.00 0.00 72.50 68.26 3nfu s THR 386 CO 0.02 0.23 0.62 -0.69 -0.69 0.00 0.00 174.62 174.11 3nfu s VAL 387 N 0.83 4.93 0.62 3.82 1.01 -0.33 -4.96 120.40 126.31 3nfu s VAL 387 Ca 0.41 0.74 -0.18 0.00 0.00 0.00 0.00 61.98 62.96 3nfu s VAL 387 Cb -0.19 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.15 3nfu s VAL 387 CO 0.21 -0.20 1.17 -2.84 0.00 0.00 0.00 175.10 173.44 3nfu s PRO 388 N 2.63 2.90 0.00 2.72 0.02 -1.26 -4.86 135.00 137.14 3nfu s PRO 388 Ca 0.24 1.67 0.23 0.00 0.02 0.00 0.00 61.00 63.17 3nfu s PRO 388 Cb -0.15 -1.94 0.15 0.00 0.02 0.00 0.00 34.50 32.59 3nfu s PRO 388 CO 0.13 -1.23 1.22 1.63 -0.33 0.00 0.00 177.00 178.41 3nfu n LYS 389 N -1.87 2.10 -1.37 5.54 5.02 -1.26 -4.85 118.16 121.47 3nfu n LYS 389 Ca 0.12 -1.75 -0.31 0.00 -2.02 0.00 0.00 58.31 54.35 3nfu n LYS 389 Cb 0.50 -1.45 0.08 0.00 -0.02 0.00 0.00 35.03 34.14 3nfu n LYS 389 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3nfu s THR 390 N -2.04 3.37 0.49 -0.18 -4.23 -1.26 -4.60 115.64 107.20 3nfu s THR 390 Ca 0.26 0.48 -0.22 0.00 -1.18 0.00 0.00 61.69 61.02 3nfu s THR 390 Cb 0.19 -2.99 -0.06 0.00 1.34 0.00 0.00 72.50 70.98 3nfu s THR 390 CO 0.34 -0.55 1.24 -2.84 -0.54 0.00 0.00 174.62 172.26 3nfu s PRO 391 N -4.78 3.52 4.14 3.99 0.02 -1.26 -3.44 135.00 137.18 3nfu s PRO 391 Ca 0.62 1.96 0.00 0.00 0.02 0.00 0.00 61.00 63.59 3nfu s PRO 391 Cb -0.17 -2.35 0.00 0.00 0.02 0.00 0.00 34.50 32.00 3nfu s PRO 391 CO 0.54 -0.80 0.00 0.41 -0.33 0.00 0.00 177.00 176.81 3nfu n GLY 392 N 0.55 0.87 0.18 0.52 0.00 0.84 -3.10 105.19 105.05 3nfu n GLY 392 Ca 0.08 -0.78 0.14 0.00 0.00 0.00 0.00 46.02 45.46 3nfu n GLY 392 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3nfu h LEU 393 N 0.00 0.00 0.51 0.99 3.38 -1.88 -1.49 115.31 116.82 3nfu h LEU 393 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3nfu h LEU 393 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3nfu h LEU 393 CO 0.00 0.00 -0.10 0.61 0.09 0.00 0.00 178.44 179.04 3nfu n GLY 394 N 0.43 0.29 3.29 0.83 0.00 -1.18 -4.90 105.19 103.95 3nfu n GLY 394 Ca 0.03 -0.75 -0.16 0.00 0.00 0.00 0.00 46.02 45.14 3nfu n GLY 394 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3nfu s ILE 395 N -2.20 1.34 -0.12 -0.61 -4.36 -1.26 -5.03 121.20 108.95 3nfu s ILE 395 Ca 0.00 -2.11 -0.00 0.00 -0.26 0.00 0.00 60.65 58.28 3nfu s ILE 395 Cb 0.00 -1.95 0.03 0.00 1.25 0.00 0.00 42.46 41.79 3nfu s ILE 395 CO 0.00 -0.67 -0.08 -1.61 0.24 0.00 0.00 174.94 172.82 3nfu s GLU 396 N -3.72 1.65 0.23 0.37 2.02 -1.26 -5.05 118.70 112.94 3nfu s GLU 396 Ca 0.19 -0.33 -0.31 0.00 0.02 0.00 0.00 54.97 54.54 3nfu s GLU 396 Cb 0.02 -1.72 -0.12 0.00 0.10 0.00 0.00 34.13 32.42 3nfu s GLU 396 CO 0.03 -0.28 1.67 -1.17 0.02 0.00 0.00 175.26 175.53 3nfu s LEU 397 N 1.66 4.36 -0.55 1.80 2.96 -1.26 0.26 118.68 127.91 3nfu s LEU 397 Ca 0.05 2.88 -0.18 0.00 -0.22 0.00 0.00 54.13 56.66 3nfu s LEU 397 Cb -0.13 -3.61 0.10 0.00 0.50 0.00 0.00 46.19 43.05 3nfu s LEU 397 CO -0.09 -0.95 0.60 -0.62 -1.32 0.00 0.00 176.35 173.98 3nfu s ASP 398 N 0.96 6.19 0.27 3.68 -1.08 0.61 -4.67 116.67 122.62 3nfu s ASP 398 Ca 0.71 -1.42 -0.02 0.00 -0.52 0.00 0.00 52.55 51.30 3nfu s ASP 398 Cb -0.49 -2.26 0.43 0.00 -1.46 0.00 0.00 42.92 39.14 3nfu s ASP 398 CO 0.37 -0.95 1.87 0.44 0.52 0.00 0.00 175.17 177.41 3nfu h ASP 399 N 9.02 0.99 -0.30 -0.34 3.32 -1.94 0.78 116.42 127.97 3nfu h ASP 399 Ca -0.29 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.74 3nfu h ASP 399 Cb 1.09 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 3nfu h ASP 399 CO 1.03 0.61 0.04 0.44 -1.72 0.00 0.00 179.24 179.64 3nfu h ASP 400 N 1.11 0.48 -0.63 6.45 3.32 -1.95 -0.60 116.42 124.61 3nfu h ASP 400 Ca 0.44 -0.27 -0.09 0.00 0.02 0.00 0.00 57.03 57.13 3nfu h ASP 400 Cb 0.24 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 3nfu h ASP 400 CO -0.20 0.63 0.03 0.11 -1.72 0.00 0.00 179.24 178.09 3nfu h LYS 401 N 0.31 1.09 -0.44 3.56 1.79 -1.71 -1.89 116.57 119.30 3nfu h LYS 401 Ca 0.09 -0.33 0.00 0.00 -2.18 0.00 0.00 60.65 58.23 3nfu h LYS 401 Cb 0.36 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.88 3nfu h LYS 401 CO 0.01 1.05 0.28 1.25 -1.08 0.00 0.00 179.45 180.95 3nfu h LEU 402 N 1.00 0.51 -0.38 2.94 5.85 -0.79 -2.32 115.31 122.12 3nfu h LEU 402 Ca 0.18 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.88 3nfu h LEU 402 Cb 0.53 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 3nfu h LEU 402 CO 0.03 0.39 0.23 -0.03 -0.34 0.00 0.00 178.44 178.72 3nfu h MET 403 N 0.59 0.45 -0.53 1.25 4.05 -0.94 -0.63 114.93 119.17 3nfu h MET 403 Ca 0.16 -0.03 -0.05 0.00 -0.28 0.00 0.00 59.70 59.50 3nfu h MET 403 Cb -0.04 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 30.63 3nfu h MET 403 CO -0.03 0.30 0.11 0.93 0.23 0.00 0.00 176.91 178.45 3nfu h GLU 404 N 0.47 0.81 -0.18 0.39 5.08 -1.27 -0.25 114.58 119.63 3nfu h GLU 404 Ca 0.15 -0.17 -0.18 0.00 -1.00 0.00 0.00 59.36 58.16 3nfu h GLU 404 Cb -0.00 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 3nfu h GLU 404 CO -0.07 0.75 -0.62 0.00 -1.00 0.00 0.00 179.01 178.07 3nfu h ALA 405 N 1.34 0.57 -0.36 3.43 0.00 -1.14 -1.31 119.26 121.79 3nfu h ALA 405 Ca 0.17 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3nfu h ALA 405 Cb 0.31 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3nfu h ALA 405 CO 0.00 0.70 0.24 1.25 0.00 0.00 0.00 179.25 181.44 3nfu h HIS 406 N 0.46 0.46 -0.76 0.00 -0.00 -0.79 -1.24 115.15 113.28 3nfu h HIS 406 Ca -0.01 0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.38 3nfu h HIS 406 Cb 1.20 -0.15 -0.04 0.00 -0.00 0.00 0.00 27.41 28.42 3nfu h HIS 406 CO 0.06 0.29 0.51 0.93 -0.00 0.00 0.00 177.93 179.72 3nfu h GLU 407 N 0.49 1.00 -0.54 5.26 4.39 -0.95 -0.08 114.58 124.14 3nfu h GLU 407 Ca 0.13 -0.06 0.06 0.00 0.34 0.00 0.00 59.36 59.83 3nfu h GLU 407 Cb -0.05 -0.23 -0.05 0.00 -0.10 0.00 0.00 28.75 28.32 3nfu h GLU 407 CO -0.03 0.66 0.25 1.15 -1.16 0.00 0.00 179.01 179.89 3nfu h THR 408 N 1.03 0.91 -0.12 1.13 2.02 -1.03 -0.94 112.91 115.91 3nfu h THR 408 Ca 0.28 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.30 3nfu h THR 408 Cb -0.11 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 3nfu h THR 408 CO -0.06 0.09 0.07 0.22 0.37 0.00 0.00 175.52 176.21 3nfu h TYR 409 N 0.49 0.15 -0.66 3.16 3.20 -0.42 -2.46 116.97 120.41 3nfu h TYR 409 Ca 0.25 0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.21 3nfu h TYR 409 Cb 0.20 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.38 3nfu h TYR 409 CO -0.12 0.11 0.44 0.87 -1.64 0.00 0.00 178.16 177.82 3nfu h LYS 410 N 0.14 0.52 -0.27 1.82 1.57 -0.71 -2.60 116.57 117.04 3nfu h LYS 410 Ca 0.04 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.65 3nfu h LYS 410 Cb 0.00 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 3nfu h LYS 410 CO -0.01 0.35 -0.42 -0.09 -0.57 0.00 0.00 179.45 178.71 3nfu h ARG 411 N 0.54 0.67 -7.27 3.15 2.43 -0.77 -3.44 114.38 109.68 3nfu h ARG 411 Ca 0.30 -0.35 -0.50 0.00 -0.81 0.00 0.00 59.98 58.62 3nfu h ARG 411 Cb 0.47 0.01 0.08 0.00 -0.42 0.00 0.00 29.97 30.11 3nfu h ARG 411 CO -0.10 0.96 0.37 -0.51 -1.51 0.00 0.00 179.97 179.19 3nfu s LEU 412 N -8.60 3.32 0.26 3.80 1.43 -0.97 -4.96 118.68 112.96 3nfu s LEU 412 Ca -0.08 1.69 0.25 0.00 -1.03 0.00 0.00 54.13 54.96 3nfu s LEU 412 Cb 0.12 -4.51 0.88 0.00 0.03 0.00 0.00 46.19 42.71 3nfu s LEU 412 CO 0.84 -1.25 1.75 0.44 0.23 0.00 0.00 176.35 178.37 3nfu h ASP 413 N -0.11 0.00 -2.49 2.29 3.32 -1.86 -3.48 116.42 114.09 3nfu h ASP 413 Ca -0.45 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.06 3nfu h ASP 413 Cb 1.21 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.71 3nfu h ASP 413 CO 0.58 0.00 -0.52 0.68 -1.72 0.00 0.00 179.24 178.26 3nfu s VAL 414 N -3.21 4.74 0.00 -1.35 -7.23 -1.26 -5.03 120.40 107.06 3nfu s VAL 414 Ca 0.08 -1.07 0.00 0.00 -1.81 0.00 0.00 61.98 59.18 3nfu s VAL 414 Cb 0.11 -3.48 0.00 0.00 0.56 0.00 0.00 36.38 33.57 3nfu s VAL 414 CO 0.52 -0.19 0.00 0.35 -0.31 0.00 0.00 175.10 175.47 3nfu n THR 415 N -0.72 0.00 -3.83 5.32 -2.24 -1.26 -5.01 114.28 106.55 3nfu n THR 415 Ca -0.08 -0.26 -0.09 0.00 -2.27 0.00 0.00 64.05 61.35 3nfu n THR 415 Cb 0.56 0.89 -0.07 0.00 -2.10 0.00 0.00 70.33 69.61 3nfu n THR 415 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3nfu s GLN 416 N -0.71 0.91 0.34 -0.78 -2.07 -1.26 -3.52 119.66 112.57 3nfu s GLN 416 Ca 0.00 -0.94 -0.29 0.00 -1.82 0.00 0.00 55.36 52.31 3nfu s GLN 416 Cb 0.00 0.37 -0.11 0.00 -1.09 0.00 0.00 33.01 32.18 3nfu s GLN 416 CO 0.00 -0.31 1.50 0.50 -1.32 0.00 0.00 175.29 175.67 3nfu s ARG 417 N -3.86 4.14 -0.25 9.60 3.52 -1.26 -5.03 118.95 125.80 3nfu s ARG 417 Ca 0.06 2.53 -0.03 0.00 -0.13 0.00 0.00 55.73 58.16 3nfu s ARG 417 Cb 0.04 -3.00 0.10 0.00 -1.56 0.00 0.00 34.95 30.53 3nfu s ARG 417 CO -0.10 -0.53 0.18 1.21 -0.81 0.00 0.00 175.30 175.24 3nfu s ASN 418 N 0.06 2.46 0.00 -2.12 2.47 -1.26 -5.02 114.94 111.53 3nfu s ASN 418 Ca 0.56 -0.82 0.29 0.00 0.42 0.00 0.00 52.86 53.31 3nfu s ASN 418 Cb -0.46 0.00 1.23 0.00 -1.45 0.00 0.00 41.25 40.58 3nfu s ASN 418 CO 0.56 -0.39 1.88 0.47 -3.72 0.00 0.00 177.10 175.91 3nfu n ASP 419 N 5.28 0.27 0.03 -4.21 9.92 -1.26 -3.88 116.55 122.70 3nfu n ASP 419 Ca -0.05 -0.24 -0.12 0.00 -0.53 0.00 0.00 54.79 53.86 3nfu n ASP 419 Cb 0.46 -0.17 0.01 0.00 -0.64 0.00 0.00 41.12 40.78 3nfu n ASP 419 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3nfu h ALA 420 N 3.39 0.54 -0.36 2.24 0.00 -1.81 -0.25 119.26 123.01 3nfu h ALA 420 Ca 0.00 -0.59 0.07 0.00 0.00 0.00 0.00 54.91 54.39 3nfu h ALA 420 Cb 0.38 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 3nfu h ALA 420 CO 0.00 0.73 -0.06 1.98 0.00 0.00 0.00 179.25 181.91 3nfu h MET 421 N 0.36 0.03 0.00 0.00 -1.53 -1.88 -2.09 114.93 109.82 3nfu h MET 421 Ca -0.03 -0.00 -0.07 0.00 -3.44 0.00 0.00 59.70 56.15 3nfu h MET 421 Cb 1.30 -0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 32.33 3nfu h MET 421 CO 0.13 0.02 -0.35 0.00 0.14 0.00 0.00 176.91 176.86 3nfu h ALA 422 N 1.34 1.14 0.00 0.39 0.00 -1.78 -3.12 119.26 117.22 3nfu h ALA 422 Ca 0.17 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 3nfu h ALA 422 Cb 0.26 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3nfu h ALA 422 CO -0.34 0.43 -0.33 0.52 0.00 0.00 0.00 179.25 179.54 3nfu h MET 423 N 0.00 0.00 -0.30 0.00 2.86 -1.50 -2.73 114.93 113.25 3nfu h MET 423 Ca -0.00 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.72 3nfu h MET 423 Cb 0.76 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 3nfu h MET 423 CO 0.05 0.33 0.26 1.96 1.06 0.00 0.00 176.91 180.56 3nfu h GLN 424 N 0.00 0.00 0.00 1.72 1.08 -1.48 0.50 115.11 116.93 3nfu h GLN 424 Ca -0.00 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.13 3nfu h GLN 424 Cb 0.61 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.03 3nfu h GLN 424 CO 0.04 0.00 -0.33 1.88 -0.95 0.00 0.00 178.83 179.47 3nfu h TYR 425 N 0.00 0.00 0.00 2.96 0.05 -1.68 -3.09 116.97 115.21 3nfu h TYR 425 Ca 0.14 0.00 -0.41 0.00 0.05 0.00 0.00 58.73 58.51 3nfu h TYR 425 Cb 0.67 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.34 3nfu h TYR 425 CO 0.00 0.33 -2.50 1.28 -1.05 0.00 0.00 178.16 176.22 3nfu n LEU 426 N -3.43 2.68 -3.78 3.88 4.77 0.17 -4.84 117.00 116.44 3nfu n LEU 426 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.69 3nfu n LEU 426 Cb 0.51 -0.88 -0.15 0.00 -2.33 0.00 0.00 43.42 40.58 3nfu n LEU 426 CO 0.36 0.83 -0.31 -0.63 -1.33 0.00 0.00 177.39 176.31 3nfu s ILE 427 N -2.51 1.25 0.27 -0.08 -1.09 0.15 -5.11 121.20 114.07 3nfu s ILE 427 Ca -0.36 -1.80 -0.30 0.00 -2.23 0.00 0.00 60.65 55.96 3nfu s ILE 427 Cb 0.11 -1.92 -0.11 0.00 -1.58 0.00 0.00 42.46 38.95 3nfu s ILE 427 CO 0.57 -0.70 1.59 -2.84 -1.23 0.00 0.00 174.94 172.32 3nfu s PRO 428 N 1.24 4.15 0.00 2.79 0.02 -1.17 -1.92 135.00 140.11 3nfu s PRO 428 Ca 0.11 2.53 0.00 0.00 0.02 0.00 0.00 61.00 63.67 3nfu s PRO 428 Cb -0.19 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.28 3nfu s PRO 428 CO -0.17 -0.62 0.00 0.41 -0.33 0.00 0.00 177.00 176.29 3nfu n GLY 429 N 2.51 1.29 3.48 0.52 0.00 -1.26 -5.02 105.19 106.71 3nfu n GLY 429 Ca 0.09 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.58 3nfu n GLY 429 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3nfu n TRP 430 N -2.00 0.39 -4.24 1.61 -0.00 -0.81 -5.02 117.44 107.37 3nfu n TRP 430 Ca 0.00 0.94 -0.18 0.00 -0.00 0.00 0.00 57.50 58.26 3nfu n TRP 430 Cb 0.00 -2.09 -0.11 0.00 -0.00 0.00 0.00 31.31 29.11 3nfu n TRP 430 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 177.69 176.48 3nfu s GLU 431 N -0.44 1.03 0.20 5.87 2.02 -1.26 -4.89 118.70 121.22 3nfu s GLU 431 Ca 0.78 -1.23 -0.30 0.00 0.02 0.00 0.00 54.97 54.23 3nfu s GLU 431 Cb -1.06 -0.93 -0.09 0.00 0.10 0.00 0.00 34.13 32.15 3nfu s GLU 431 CO 0.56 0.18 1.36 0.12 0.02 0.00 0.00 175.26 177.49 3nfu s PHE 432 N -2.08 3.20 -0.22 1.61 5.36 -1.26 -5.04 117.98 119.55 3nfu s PHE 432 Ca 0.09 1.12 -0.04 0.00 -0.96 0.00 0.00 56.93 57.14 3nfu s PHE 432 Cb -0.05 -3.67 0.07 0.00 -0.34 0.00 0.00 43.02 39.03 3nfu s PHE 432 CO 0.03 -2.17 0.10 0.34 -1.46 0.00 0.00 175.22 172.06 3nfu s ASP 433 N 0.48 2.85 0.34 6.13 3.68 -1.26 -5.04 116.67 123.85 3nfu s ASP 433 Ca 0.59 -0.89 0.21 0.00 2.13 0.00 0.00 52.55 54.58 3nfu s ASP 433 Cb -0.38 -0.33 1.14 0.00 -1.45 0.00 0.00 42.92 41.90 3nfu s ASP 433 CO 0.38 -0.38 1.62 1.55 0.13 0.00 0.00 175.17 178.47 3nfu h PRO 434 N 8.39 0.00 -0.02 4.34 0.13 -1.92 -1.00 132.00 141.92 3nfu h PRO 434 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 3nfu h PRO 434 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3nfu h PRO 434 CO 0.35 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.75 3nfu n LYS 435 N -2.26 1.89 -3.74 0.86 4.76 -1.26 -3.98 118.16 114.43 3nfu n LYS 435 Ca -0.01 -2.27 -0.25 0.00 -2.87 0.00 0.00 58.31 52.91 3nfu n LYS 435 Cb 0.10 -1.37 -0.17 0.00 -1.84 0.00 0.00 35.03 31.75 3nfu n LYS 435 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 3nfu s ARG 436 N -2.29 0.56 0.30 1.97 3.00 -0.38 -4.76 118.95 117.35 3nfu s ARG 436 Ca 0.23 -0.09 -0.29 0.00 -1.00 0.00 0.00 55.73 54.58 3nfu s ARG 436 Cb 0.20 -1.43 -0.12 0.00 0.00 0.00 0.00 34.95 33.59 3nfu s ARG 436 CO 0.03 -0.45 1.40 -2.30 0.00 0.00 0.00 175.30 173.97 3nfu n PRO 437 N 5.13 2.24 -0.34 5.12 -0.02 -1.26 -4.64 135.00 141.22 3nfu n PRO 437 Ca -0.08 0.79 0.23 0.00 -2.02 0.00 0.00 63.50 62.42 3nfu n PRO 437 Cb 0.49 -2.44 0.48 0.00 -0.02 0.00 0.00 33.50 32.01 3nfu n PRO 437 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3nfu h ALA 438 N 3.49 2.13 -0.28 3.55 0.00 -1.06 -1.05 119.26 126.04 3nfu h ALA 438 Ca -0.46 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3nfu h ALA 438 Cb 1.27 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3nfu h ALA 438 CO 0.70 -0.60 0.00 1.28 0.00 0.00 0.00 179.25 180.63 3nfu n LEU 439 N -4.75 3.04 -4.73 0.00 4.77 0.67 -4.92 117.00 111.08 3nfu n LEU 439 Ca 0.28 -1.45 -0.39 0.00 -0.03 0.00 0.00 56.01 54.42 3nfu n LEU 439 Cb 0.91 -0.18 -0.05 0.00 -2.33 0.00 0.00 43.42 41.77 3nfu n LEU 439 CO 0.21 0.65 0.33 -0.69 -1.33 0.00 0.00 177.39 176.55 3nfu s VAL 440 N -1.33 5.05 -0.97 4.08 1.01 -0.40 -4.97 120.40 122.87 3nfu s VAL 440 Ca 0.30 1.29 0.08 0.00 0.00 0.00 0.00 61.98 63.65 3nfu s VAL 440 Cb 0.18 -3.97 0.06 0.00 0.00 0.00 0.00 36.38 32.65 3nfu s VAL 440 CO 0.25 0.30 0.75 -0.62 0.00 0.00 0.00 175.10 175.78