#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 2.19 0.63 1.96 0.08 -1.26 -5.13 117.98 116.45 3nfu s PHE 2 Ca 0.00 -0.39 -0.14 0.00 0.12 0.00 0.00 56.93 56.52 3nfu s PHE 2 Cb 0.00 -1.18 -0.02 0.00 -0.57 0.00 0.00 43.02 41.24 3nfu s PHE 2 CO 0.00 0.31 1.05 -1.25 -0.10 0.00 0.00 175.22 175.24 3nfu s PRO 3 N -2.04 3.20 0.18 0.24 0.04 -1.26 -4.81 135.00 130.55 3nfu s PRO 3 Ca 0.12 1.09 -0.02 0.00 0.04 0.00 0.00 61.00 62.23 3nfu s PRO 3 Cb -0.10 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 3nfu s PRO 3 CO 0.06 -0.89 0.38 0.15 0.04 0.00 0.00 177.00 176.74 3nfu s LYS 4 N -4.47 3.55 0.10 4.56 1.02 -1.26 -1.94 119.74 121.30 3nfu s LYS 4 Ca 0.61 -0.26 -0.31 0.00 0.02 0.00 0.00 55.97 56.03 3nfu s LYS 4 Cb -0.15 -2.84 -0.08 0.00 -0.52 0.00 0.00 37.83 34.24 3nfu s LYS 4 CO 0.44 0.42 1.41 0.42 -0.92 0.00 0.00 175.35 177.12 3nfu s ILE 5 N -1.81 3.30 -0.04 2.17 -1.09 0.16 -1.08 121.20 122.81 3nfu s ILE 5 Ca 0.39 0.91 0.09 0.00 -2.23 0.00 0.00 60.65 59.81 3nfu s ILE 5 Cb -0.11 -3.58 -0.14 0.00 -1.58 0.00 0.00 42.46 37.05 3nfu s ILE 5 CO 0.28 0.06 0.16 0.35 -1.23 0.00 0.00 174.94 174.56 3nfu n THR 6 N 4.06 0.20 -3.81 2.92 -2.24 0.95 -1.59 114.28 114.77 3nfu n THR 6 Ca 0.12 -0.28 -0.13 0.00 -2.27 0.00 0.00 64.05 61.49 3nfu n THR 6 Cb 0.42 -0.06 -0.13 0.00 -2.10 0.00 0.00 70.33 68.46 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 -2.54 0.13 -0.17 -0.78 2.20 -1.01 -4.97 119.74 112.61 3nfu s LYS 7 Ca -0.04 0.20 0.00 0.00 -0.36 0.00 0.00 55.97 55.78 3nfu s LYS 7 Cb 0.05 0.02 0.03 0.00 -1.51 0.00 0.00 37.83 36.42 3nfu s LYS 7 CO 0.40 -0.05 -0.10 1.41 -0.36 0.00 0.00 175.35 176.65 3nfu s MET 8 N 0.28 1.94 -0.20 4.03 -2.45 -1.26 -1.01 119.30 120.63 3nfu s MET 8 Ca -0.02 -0.63 -0.02 0.00 -1.25 0.00 0.00 55.69 53.77 3nfu s MET 8 Cb -0.03 -2.16 0.00 0.00 1.25 0.00 0.00 34.83 33.90 3nfu s MET 8 CO -0.01 -0.36 -0.12 -0.80 1.05 0.00 0.00 175.02 174.79 3nfu s ASN 9 N 1.50 3.75 -0.47 1.11 -0.87 0.92 -4.99 114.94 115.89 3nfu s ASN 9 Ca 0.02 -0.51 -0.18 0.00 -1.57 0.00 0.00 52.86 50.62 3nfu s ASN 9 Cb -0.15 -1.62 0.05 0.00 -0.02 0.00 0.00 41.25 39.51 3nfu s ASN 9 CO -0.09 -0.01 0.52 -0.69 -2.57 0.00 0.00 177.10 174.26 3nfu s VAL 10 N 1.37 5.01 -0.42 1.60 1.01 -1.26 -0.59 120.40 127.12 3nfu s VAL 10 Ca 0.05 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.54 3nfu s VAL 10 Cb -0.14 -4.18 0.11 0.00 0.00 0.00 0.00 36.38 32.18 3nfu s VAL 10 CO -0.08 -0.63 0.16 -0.69 0.00 0.00 0.00 175.10 173.87 3nfu s VAL 11 N 2.29 2.58 0.24 2.92 1.01 0.65 -5.00 120.40 125.10 3nfu s VAL 11 Ca 0.12 -2.67 -0.30 0.00 0.00 0.00 0.00 61.98 59.14 3nfu s VAL 11 Cb -0.19 -2.84 -0.09 0.00 0.00 0.00 0.00 36.38 33.26 3nfu s VAL 11 CO 0.12 -0.69 1.16 -2.16 0.00 0.00 0.00 175.10 173.53 3nfu s PRO 12 N 0.49 4.55 0.25 2.72 0.04 -1.26 -0.26 135.00 141.53 3nfu s PRO 12 Ca 0.13 1.87 0.04 0.00 0.04 0.00 0.00 61.00 63.08 3nfu s PRO 12 Cb -0.22 -3.20 -0.05 0.00 0.04 0.00 0.00 34.50 31.07 3nfu s PRO 12 CO -0.05 0.04 0.01 0.14 0.04 0.00 0.00 177.00 177.19 3nfu s VAL 13 N -0.68 1.07 -0.04 -0.36 -7.23 -0.06 -4.31 120.40 108.79 3nfu s VAL 13 Ca 0.48 -2.03 -0.03 0.00 -1.81 0.00 0.00 61.98 58.59 3nfu s VAL 13 Cb -0.33 -2.46 0.01 0.00 0.56 0.00 0.00 36.38 34.16 3nfu s VAL 13 CO 0.40 -0.23 0.10 0.00 -0.31 0.00 0.00 175.10 175.06 3nfu s ALA 14 N -3.40 -0.23 0.00 1.32 0.00 -0.13 -1.79 121.76 117.53 3nfu s ALA 14 Ca 0.31 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.58 3nfu s ALA 14 Cb 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.99 3nfu s ALA 14 CO 0.11 -0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.22 3nfu n GLY 15 N 3.20 5.31 3.64 0.00 0.00 -0.72 -4.66 105.19 111.97 3nfu n GLY 15 Ca -0.14 -2.08 -0.29 0.00 0.00 0.00 0.00 46.02 43.51 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 -0.98 2.36 0.05 1.61 8.01 -1.26 -2.31 118.70 126.18 3nfu s GLU 16 Ca 0.00 -1.00 -0.18 0.00 0.01 0.00 0.00 54.97 53.80 3nfu s GLU 16 Cb 0.00 -2.40 0.04 0.00 -4.31 0.00 0.00 34.13 27.46 3nfu s GLU 16 CO 0.00 0.50 0.41 0.34 0.01 0.00 0.00 175.26 176.52 3nfu s ASP 17 N -2.54 -0.28 0.90 -0.19 2.15 0.32 -4.76 116.67 112.27 3nfu s ASP 17 Ca 0.25 -0.01 -0.05 0.00 0.43 0.00 0.00 52.55 53.17 3nfu s ASP 17 Cb -0.11 0.43 0.08 0.00 -0.30 0.00 0.00 42.92 43.02 3nfu s ASP 17 CO 0.17 -0.67 0.48 0.61 -0.17 0.00 0.00 175.17 175.59 3nfu n GLY 18 N 0.49 -0.87 2.55 2.66 0.00 -1.26 -4.37 105.19 104.39 3nfu n GLY 18 Ca -0.18 -1.75 -0.41 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 -2.55 2.69 -2.66 1.61 -0.00 -1.26 -4.63 117.46 110.66 3nfu n PHE 19 Ca 0.06 -2.87 -0.42 0.00 -0.00 0.00 0.00 57.45 54.22 3nfu n PHE 19 Cb 0.22 -2.02 -0.03 0.00 -0.00 0.00 0.00 39.48 37.65 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 -1.02 4.40 -0.12 -2.13 1.02 -1.26 -1.34 118.68 118.23 3nfu s LEU 20 Ca 0.53 1.75 -0.05 0.00 0.02 0.00 0.00 54.13 56.38 3nfu s LEU 20 Cb 0.16 -3.58 -0.04 0.00 0.02 0.00 0.00 46.19 42.76 3nfu s LEU 20 CO -0.07 -0.26 0.07 -0.76 0.02 0.00 0.00 176.35 175.36 3nfu s LEU 21 N 0.80 3.96 0.00 1.79 1.43 -0.10 -0.81 118.68 125.75 3nfu s LEU 21 Ca 0.52 0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 53.85 3nfu s LEU 21 Cb -0.23 -1.95 0.01 0.00 0.03 0.00 0.00 46.19 44.05 3nfu s LEU 21 CO 0.29 0.34 0.39 -0.46 0.23 0.00 0.00 176.35 177.14 3nfu n ASN 22 N 2.44 -1.11 -0.19 2.29 0.23 -0.22 -4.37 115.26 114.33 3nfu n ASN 22 Ca -0.19 -2.42 -0.01 0.00 -0.53 0.00 0.00 54.58 51.44 3nfu n ASN 22 Cb 0.54 2.03 0.23 0.00 -2.08 0.00 0.00 39.78 40.49 3nfu n ASN 22 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 3nfu h LEU 23 N 0.00 0.84 -0.09 -4.53 5.85 -1.70 -1.89 115.31 113.79 3nfu h LEU 23 Ca -0.21 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.45 3nfu h LEU 23 Cb 0.91 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.72 3nfu h LEU 23 CO 0.28 0.67 0.00 -1.20 -0.34 0.00 0.00 178.44 177.86 3nfu n SER 24 N -4.38 0.20 0.00 1.25 7.64 -1.26 -4.52 113.62 112.55 3nfu n SER 24 Ca 0.07 0.53 0.00 0.00 1.01 0.00 0.00 58.87 60.48 3nfu n SER 24 Cb 0.09 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 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 0.76 0.31 3.41 0.23 0.00 -0.71 -4.15 105.19 105.04 3nfu n GLY 25 Ca 0.05 -1.37 -0.33 0.00 0.00 0.00 0.00 46.02 44.37 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 1.56 0.29 -0.02 0.00 0.17 -1.05 107.32 108.26 3nfu s GLY 26 Ca 0.00 -0.90 -0.30 0.00 0.00 0.00 0.00 44.72 43.52 3nfu s GLY 26 CO 0.00 -0.32 1.51 0.30 0.00 0.00 0.00 173.10 174.59 3nfu s HIS 27 N 0.09 2.84 0.72 1.90 3.76 0.01 -4.28 115.29 120.33 3nfu s HIS 27 Ca -0.05 0.95 -0.15 0.00 -0.15 0.00 0.00 55.06 55.66 3nfu s HIS 27 Cb -0.15 -3.96 0.03 0.00 1.11 0.00 0.00 32.58 29.62 3nfu s HIS 27 CO 0.04 -3.10 1.19 -1.21 -0.85 0.00 0.00 174.74 170.81 3nfu s GLU 28 N -0.74 2.26 0.66 1.40 2.02 -1.26 -4.50 118.70 118.54 3nfu s GLU 28 Ca 0.60 1.68 0.38 0.00 0.02 0.00 0.00 54.97 57.65 3nfu s GLU 28 Cb -0.45 -1.86 2.09 0.00 0.10 0.00 0.00 34.13 34.02 3nfu s GLU 28 CO 0.49 -1.72 2.19 -1.35 0.02 0.00 0.00 175.26 174.88 3nfu h PRO 29 N -0.24 0.00 -6.47 0.39 0.11 -1.84 -3.41 132.00 120.54 3nfu h PRO 29 Ca -0.47 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.00 3nfu h PRO 29 Cb 1.29 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.25 3nfu h PRO 29 CO 0.50 0.00 -0.72 1.67 -0.21 0.00 0.00 178.00 179.25 3nfu s TRP 30 N -4.16 2.73 0.05 0.65 -2.14 -1.26 -0.52 118.94 114.29 3nfu s TRP 30 Ca -0.04 -0.17 0.07 0.00 2.66 0.00 0.00 56.10 58.62 3nfu s TRP 30 Cb 0.11 -1.37 -0.03 0.00 -3.10 0.00 0.00 33.47 29.09 3nfu s TRP 30 CO 0.37 0.48 -0.20 -0.59 -2.66 0.00 0.00 176.95 174.34 3nfu s PHE 31 N -1.50 1.78 0.03 1.66 -0.12 -0.98 -4.81 117.98 114.05 3nfu s PHE 31 Ca 0.24 -0.38 0.04 0.00 -0.05 0.00 0.00 56.93 56.78 3nfu s PHE 31 Cb -0.10 -1.06 -0.04 0.00 -0.63 0.00 0.00 43.02 41.20 3nfu s PHE 31 CO 0.15 0.10 -0.03 0.96 -0.05 0.00 0.00 175.22 176.35 3nfu s ILE 32 N -0.83 3.86 0.19 -4.49 -4.36 -1.26 -1.75 121.20 112.56 3nfu s ILE 32 Ca 0.07 -0.83 -0.02 0.00 -0.26 0.00 0.00 60.65 59.61 3nfu s ILE 32 Cb -0.09 -2.75 -0.04 0.00 1.25 0.00 0.00 42.46 40.84 3nfu s ILE 32 CO 0.02 0.29 0.13 -0.13 0.24 0.00 0.00 174.94 175.49 3nfu s ARG 33 N -1.77 1.16 -0.14 0.37 1.81 -0.74 -4.19 118.95 115.45 3nfu s ARG 33 Ca 0.20 -1.57 0.01 0.00 -1.72 0.00 0.00 55.73 52.66 3nfu s ARG 33 Cb -0.11 0.27 0.02 0.00 -0.45 0.00 0.00 34.95 34.68 3nfu s ARG 33 CO 0.12 -0.37 -0.15 0.00 -0.68 0.00 0.00 175.30 174.21 3nfu s VAL 35 N 1.32 5.06 -0.20 0.00 1.01 0.64 -1.53 120.40 126.69 3nfu s VAL 35 Ca 0.01 0.07 -0.09 0.00 0.00 0.00 0.00 61.98 61.97 3nfu s VAL 35 Cb -0.13 -3.33 -0.05 0.00 0.00 0.00 0.00 36.38 32.86 3nfu s VAL 35 CO -0.08 0.39 0.11 -0.22 0.00 0.00 0.00 175.10 175.30 3nfu s LEU 36 N 0.85 4.03 -0.19 3.92 2.96 -0.01 -0.25 118.68 130.00 3nfu s LEU 36 Ca 0.06 0.14 0.01 0.00 -0.22 0.00 0.00 54.13 54.12 3nfu s LEU 36 Cb -0.13 -2.05 0.03 0.00 0.50 0.00 0.00 46.19 44.54 3nfu s LEU 36 CO 0.03 0.15 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.34 3nfu s VAL 37 N 0.55 1.97 0.04 1.68 1.01 0.24 -1.36 120.40 124.53 3nfu s VAL 37 Ca 0.06 -0.99 0.06 0.00 0.00 0.00 0.00 61.98 61.12 3nfu s VAL 37 Cb -0.12 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 3nfu s VAL 37 CO 0.00 0.43 -0.14 -0.76 0.00 0.00 0.00 175.10 174.63 3nfu s LEU 38 N 1.30 2.79 -0.02 3.92 1.43 0.13 -0.05 118.68 128.18 3nfu s LEU 38 Ca 0.03 -0.35 0.04 0.00 -1.03 0.00 0.00 54.13 52.82 3nfu s LEU 38 Cb -0.14 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 3nfu s LEU 38 CO -0.11 0.26 -0.13 -0.70 0.23 0.00 0.00 176.35 175.89 3nfu s GLU 39 N -1.49 1.25 0.00 1.70 2.12 -0.18 -0.44 118.70 121.67 3nfu s GLU 39 Ca 0.16 -0.48 0.00 0.00 0.36 0.00 0.00 54.97 55.01 3nfu s GLU 39 Cb -0.11 -1.16 0.00 0.00 0.26 0.00 0.00 34.13 33.12 3nfu s GLU 39 CO 0.06 0.24 0.00 -0.40 -0.54 0.00 0.00 175.26 174.62 3nfu n ASP 40 N 2.99 0.48 0.04 -1.70 5.68 -0.72 -0.03 116.55 123.29 3nfu n ASP 40 Ca -0.16 -0.90 -0.08 0.00 -0.50 0.00 0.00 54.79 53.14 3nfu n ASP 40 Cb 0.54 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.59 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 0.42 0.00 0.11 5.08 -1.41 -3.23 114.58 115.54 3nfu h GLU 41 Ca 0.00 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 3nfu h GLU 41 Cb 0.00 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3nfu h GLU 41 CO 0.00 0.90 0.00 -1.13 -1.00 0.00 0.00 179.01 177.78 3nfu n SER 42 N -3.91 0.00 0.00 1.42 3.41 -1.26 -4.84 113.62 108.44 3nfu n SER 42 Ca -0.03 -0.86 0.00 0.00 -0.26 0.00 0.00 58.87 57.71 3nfu n SER 42 Cb 0.63 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 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 0.47 0.63 3.83 5.00 0.00 -1.22 -5.04 105.19 108.86 3nfu n GLY 43 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 3nfu n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3nfu s ASN 44 N -2.24 6.80 -0.01 1.61 0.02 -1.26 -4.91 114.94 114.95 3nfu s ASN 44 Ca 0.00 1.59 0.06 0.00 -1.02 0.00 0.00 52.86 53.49 3nfu s ASN 44 Cb 0.00 -2.51 -0.02 0.00 0.02 0.00 0.00 41.25 38.75 3nfu s ASN 44 CO 0.00 -0.42 -0.20 -0.13 0.02 0.00 0.00 177.10 176.36 3nfu s ARG 45 N -3.49 1.64 -0.00 -0.60 0.52 -1.26 -1.75 118.95 114.01 3nfu s ARG 45 Ca 0.60 -0.74 0.06 0.00 -0.52 0.00 0.00 55.73 55.12 3nfu s ARG 45 Cb -0.09 -1.59 -0.02 0.00 0.52 0.00 0.00 34.95 33.77 3nfu s ARG 45 CO 0.20 0.44 -0.17 0.20 0.02 0.00 0.00 175.30 175.98 3nfu s GLY 46 N -0.52 0.87 0.13 -3.53 0.00 0.42 -4.72 107.32 99.97 3nfu s GLY 46 Ca 0.08 -0.78 0.07 0.00 0.00 0.00 0.00 44.72 44.09 3nfu s GLY 46 CO -0.01 -0.67 -0.17 -1.34 0.00 0.00 0.00 173.10 170.91 3nfu s VAL 47 N -0.47 1.60 0.02 1.40 -7.23 -1.26 -0.69 120.40 113.76 3nfu s VAL 47 Ca 0.06 -1.72 -0.05 0.00 -1.81 0.00 0.00 61.98 58.47 3nfu s VAL 47 Cb -0.07 -1.62 -0.01 0.00 0.56 0.00 0.00 36.38 35.24 3nfu s VAL 47 CO -0.00 -0.27 0.08 -0.83 -0.31 0.00 0.00 175.10 173.76 3nfu s GLY 48 N -2.35 0.13 -0.02 2.32 0.00 -0.47 -2.53 107.32 104.41 3nfu s GLY 48 Ca 0.10 -0.36 0.00 0.00 0.00 0.00 0.00 44.72 44.47 3nfu s GLY 48 CO 0.05 -0.48 0.00 1.85 0.00 0.00 0.00 173.10 174.52 3nfu s GLU 49 N -1.68 0.18 0.18 2.90 2.12 -1.26 -0.83 118.70 120.31 3nfu s GLU 49 Ca -0.13 0.07 -0.04 0.00 0.36 0.00 0.00 54.97 55.23 3nfu s GLU 49 Cb -0.07 -0.34 -0.03 0.00 0.26 0.00 0.00 34.13 33.95 3nfu s GLU 49 CO -0.00 -0.10 0.17 0.96 -0.54 0.00 0.00 175.26 175.75 3nfu s ILE 50 N 0.76 0.04 0.96 -3.70 -4.36 -0.58 -4.73 121.20 109.58 3nfu s ILE 50 Ca -0.07 -1.82 -0.11 0.00 -0.26 0.00 0.00 60.65 58.39 3nfu s ILE 50 Cb -0.10 -2.25 0.17 0.00 1.25 0.00 0.00 42.46 41.53 3nfu s ILE 50 CO -0.02 -0.17 1.12 -2.84 0.24 0.00 0.00 174.94 173.27 3nfu s PRO 51 N -4.09 0.64 0.13 0.37 0.02 -1.26 -0.71 135.00 130.11 3nfu s PRO 51 Ca 0.30 1.36 0.08 0.00 0.02 0.00 0.00 61.00 62.76 3nfu s PRO 51 Cb 0.06 -1.70 -0.04 0.00 0.02 0.00 0.00 34.50 32.84 3nfu s PRO 51 CO 0.07 -2.83 -0.18 0.45 -0.33 0.00 0.00 177.00 174.18 3nfu s SER 52 N -2.69 2.50 0.35 2.53 0.15 -1.26 -4.24 113.70 111.05 3nfu s SER 52 Ca 0.67 -0.78 -0.10 0.00 0.70 0.00 0.00 55.95 56.43 3nfu s SER 52 Cb -0.23 -0.13 0.04 0.00 -1.71 0.00 0.00 66.02 63.99 3nfu s SER 52 CO 0.59 -0.02 0.65 -1.54 1.20 0.00 0.00 173.24 174.12 3nfu n SER 53 N 0.64 -1.88 0.01 5.45 3.41 -1.24 -4.65 113.62 115.35 3nfu n SER 53 Ca -0.16 -2.53 -0.13 0.00 -0.26 0.00 0.00 58.87 55.79 3nfu n SER 53 Cb 0.56 3.20 -0.01 0.00 -0.26 0.00 0.00 64.21 67.70 3nfu n SER 53 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3nfu h GLU 54 N 0.00 0.59 -0.24 4.33 4.81 -2.00 -2.61 114.58 119.46 3nfu h GLU 54 Ca -0.29 -0.46 0.01 0.00 -0.13 0.00 0.00 59.36 58.49 3nfu h GLU 54 Cb 1.12 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 3nfu h GLU 54 CO 0.38 1.08 0.15 0.78 -0.73 0.00 0.00 179.01 180.66 3nfu h GLY 55 N 0.97 0.33 1.00 1.92 0.00 -1.96 -0.29 103.07 105.05 3nfu h GLY 55 Ca -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.19 3nfu h GLY 55 CO 0.13 0.11 0.24 -2.22 0.00 0.00 0.00 176.54 174.80 3nfu h ILE 56 N 0.30 1.10 -0.75 2.60 2.04 -1.89 0.11 117.51 121.02 3nfu h ILE 56 Ca 0.09 -0.19 0.01 0.00 1.00 0.00 0.00 64.86 65.78 3nfu h ILE 56 Cb -0.02 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 36.60 3nfu h ILE 56 CO -0.04 0.10 0.49 -0.07 0.00 0.00 0.00 178.15 178.63 3nfu h LEU 57 N 0.49 0.85 -1.16 1.44 3.38 -1.22 -1.86 115.31 117.23 3nfu h LEU 57 Ca 0.13 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 3nfu h LEU 57 Cb -0.05 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3nfu h LEU 57 CO -0.03 0.61 -0.15 0.78 0.09 0.00 0.00 178.44 179.74 3nfu h ASN 58 N 1.00 0.40 -0.05 -0.43 4.21 -0.56 -2.81 115.58 117.34 3nfu h ASN 58 Ca 0.28 -0.10 -0.15 0.00 1.21 0.00 0.00 56.30 57.54 3nfu h ASN 58 Cb -0.09 -0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 37.00 3nfu h ASN 58 CO -0.07 0.57 -0.47 1.23 -1.29 0.00 0.00 177.43 177.40 3nfu h GLY 59 N 0.90 0.66 0.89 2.83 0.00 -0.17 -1.19 103.07 106.98 3nfu h GLY 59 Ca 0.07 -0.71 -0.00 0.00 0.00 0.00 0.00 47.33 46.69 3nfu h GLY 59 CO 0.03 0.64 -0.02 1.41 0.00 0.00 0.00 176.54 178.59 3nfu h LEU 60 N 0.48 -0.05 -1.06 3.11 3.38 -1.23 -2.00 115.31 117.93 3nfu h LEU 60 Ca 0.03 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3nfu h LEU 60 Cb 1.01 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 3nfu h LEU 60 CO 0.09 0.07 0.51 -0.33 0.09 0.00 0.00 178.44 178.87 3nfu h GLU 61 N -0.17 1.16 -0.93 1.13 4.39 -1.50 -1.59 114.58 117.07 3nfu h GLU 61 Ca -0.01 -0.10 0.13 0.00 0.34 0.00 0.00 59.36 59.72 3nfu h GLU 61 Cb 0.15 -0.24 -0.08 0.00 -0.10 0.00 0.00 28.75 28.48 3nfu h GLU 61 CO 0.01 0.81 0.59 -0.22 -1.16 0.00 0.00 179.01 179.05 3nfu h LYS 62 N 1.18 0.79 -0.00 2.33 3.64 -1.00 -2.27 116.57 121.24 3nfu h LYS 62 Ca 0.31 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 3nfu h LYS 62 Cb -0.05 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.59 3nfu h LYS 62 CO -0.06 0.52 -0.34 0.00 -2.27 0.00 0.00 179.45 177.31 3nfu h ARG 64 N 0.39 0.25 0.00 0.00 2.43 -0.72 -1.52 114.38 115.20 3nfu h ARG 64 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3nfu h ARG 64 Cb 0.48 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 3nfu h ARG 64 CO 0.00 0.17 0.00 0.66 -1.51 0.00 0.00 179.97 179.29 3nfu h SER 65 N 0.26 0.00 0.90 -3.80 4.64 -1.81 -0.29 113.55 113.45 3nfu h SER 65 Ca 0.45 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.60 3nfu h SER 65 Cb 0.79 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.86 3nfu h SER 65 CO -0.54 0.00 -0.78 -0.07 -0.87 0.00 0.00 176.83 174.56 3nfu h LEU 66 N 0.00 0.00 0.06 5.97 3.38 -1.61 -3.37 115.31 119.74 3nfu h LEU 66 Ca 0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 3nfu h LEU 66 Cb 0.70 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 3nfu h LEU 66 CO 0.00 0.78 -1.37 0.58 0.09 0.00 0.00 178.44 178.52 3nfu h VAL 67 N 0.00 0.95 -2.70 1.22 2.07 -1.26 -3.40 116.25 113.13 3nfu h VAL 67 Ca -0.01 -2.28 -0.53 0.00 0.82 0.00 0.00 66.70 64.69 3nfu h VAL 67 Cb 1.44 2.49 0.02 0.00 -1.52 0.00 0.00 31.29 33.73 3nfu h VAL 67 CO 0.10 0.56 0.99 -1.61 0.02 0.00 0.00 177.57 177.63 3nfu s GLU 68 N -2.43 4.20 0.00 1.57 2.02 -0.18 -1.72 118.70 122.17 3nfu s GLU 68 Ca -0.24 2.32 0.00 0.00 0.02 0.00 0.00 54.97 57.07 3nfu s GLU 68 Cb 0.05 -3.58 0.00 0.00 0.10 0.00 0.00 34.13 30.70 3nfu s GLU 68 CO 0.68 -0.73 0.00 0.41 0.02 0.00 0.00 175.26 175.65 3nfu n GLY 69 N 3.98 1.61 3.77 -1.39 0.00 -0.62 -4.88 105.19 107.65 3nfu n GLY 69 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.90 3.28 0.16 4.61 0.00 -0.70 -4.53 121.76 121.68 3nfu s ALA 70 Ca 0.00 0.97 -0.30 0.00 0.00 0.00 0.00 51.96 52.63 3nfu s ALA 70 Cb 0.00 -3.37 -0.07 0.00 0.00 0.00 0.00 23.12 19.68 3nfu s ALA 70 CO 0.00 -0.40 1.07 1.03 0.00 0.00 0.00 175.76 177.47 3nfu s ARG 71 N -1.96 4.61 0.49 0.00 0.52 -1.26 -0.66 118.95 120.68 3nfu s ARG 71 Ca 0.52 1.66 0.25 0.00 -0.52 0.00 0.00 55.73 57.63 3nfu s ARG 71 Cb -0.32 -3.30 1.28 0.00 0.52 0.00 0.00 34.95 33.13 3nfu s ARG 71 CO 0.41 0.09 2.01 -0.39 0.02 0.00 0.00 175.30 177.44 3nfu h VAL 72 N 3.84 0.67 0.00 3.52 -1.51 -1.70 -0.83 116.25 120.24 3nfu h VAL 72 Ca -0.44 -0.69 0.00 0.00 -1.23 0.00 0.00 66.70 64.34 3nfu h VAL 72 Cb 1.21 1.43 0.00 0.00 -2.13 0.00 0.00 31.29 31.80 3nfu h VAL 72 CO 0.73 0.16 0.00 -0.55 -1.23 0.00 0.00 177.57 176.68 3nfu h ASN 73 N 0.00 0.00 -0.52 4.19 -1.07 -1.92 -3.10 115.58 113.16 3nfu h ASN 73 Ca -0.00 0.00 -0.16 0.00 0.07 0.00 0.00 56.30 56.21 3nfu h ASN 73 Cb 0.42 0.00 -0.09 0.00 -2.07 0.00 0.00 38.32 36.57 3nfu h ASN 73 CO 0.02 0.00 0.20 -0.62 0.07 0.00 0.00 177.43 177.10 3nfu n GLU 74 N -2.42 2.85 -0.23 4.14 -0.58 -0.32 -4.64 120.64 119.45 3nfu n GLU 74 Ca 0.03 -2.10 0.03 0.00 -0.42 0.00 0.00 57.16 54.70 3nfu n GLU 74 Cb 0.30 -1.93 0.15 0.00 -0.57 0.00 0.00 31.44 29.39 3nfu n GLU 74 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 3nfu h VAL 75 N 1.81 0.65 -0.57 2.62 3.04 -1.69 -0.81 116.25 121.30 3nfu h VAL 75 Ca 0.19 -0.12 -0.05 0.00 -1.01 0.00 0.00 66.70 65.71 3nfu h VAL 75 Cb 1.85 0.27 -0.03 0.00 -2.01 0.00 0.00 31.29 31.37 3nfu h VAL 75 CO 0.52 0.06 0.15 0.11 -1.01 0.00 0.00 177.57 177.41 3nfu h LYS 76 N 0.35 0.86 -0.06 4.17 1.57 -1.91 0.40 116.57 121.95 3nfu h LYS 76 Ca 0.36 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 3nfu h LYS 76 Cb 0.55 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 3nfu h LYS 76 CO -0.41 0.77 -0.01 0.37 -0.57 0.00 0.00 179.45 179.60 3nfu h GLN 77 N 0.84 0.12 -0.13 3.15 4.15 -1.66 -1.25 115.11 120.33 3nfu h GLN 77 Ca 0.19 -0.04 0.04 0.00 0.77 0.00 0.00 58.65 59.60 3nfu h GLN 77 Cb 0.28 -0.01 -0.07 0.00 0.21 0.00 0.00 27.48 27.90 3nfu h GLN 77 CO -0.00 0.45 -0.43 0.28 -1.93 0.00 0.00 178.83 177.19 3nfu h VAL 78 N -0.23 0.13 -0.95 2.39 2.07 -0.77 -0.56 116.25 118.32 3nfu h VAL 78 Ca 0.02 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.65 3nfu h VAL 78 Cb 0.41 0.13 -0.08 0.00 -1.52 0.00 0.00 31.29 30.22 3nfu h VAL 78 CO 0.01 0.00 0.59 -0.07 0.02 0.00 0.00 177.57 178.11 3nfu h LEU 79 N -0.50 0.85 -0.74 2.57 3.38 -0.94 0.14 115.31 120.08 3nfu h LEU 79 Ca 0.07 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 3nfu h LEU 79 Cb 0.63 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 3nfu h LEU 79 CO -0.40 0.45 0.32 0.28 0.09 0.00 0.00 178.44 179.18 3nfu h SER 80 N 0.93 1.00 -0.16 -0.43 0.02 -0.71 0.43 113.55 114.62 3nfu h SER 80 Ca 0.47 -0.16 -0.16 0.00 -0.84 0.00 0.00 61.79 61.10 3nfu h SER 80 Cb 0.47 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 3nfu h SER 80 CO -0.27 0.88 -0.49 0.03 -1.14 0.00 0.00 176.83 175.84 3nfu h ARG 81 N 1.05 0.73 -0.79 3.45 3.08 -0.47 -2.42 114.38 119.01 3nfu h ARG 81 Ca 0.25 -0.43 -0.05 0.00 0.07 0.00 0.00 59.98 59.82 3nfu h ARG 81 Cb 0.18 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 3nfu h ARG 81 CO -0.02 1.06 0.31 0.00 -1.07 0.00 0.00 179.97 180.24 3nfu h ALA 82 N 0.86 1.05 0.00 0.04 0.00 -0.45 -0.29 119.26 120.47 3nfu h ALA 82 Ca 0.03 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3nfu h ALA 82 Cb 1.06 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3nfu h ALA 82 CO 0.10 0.67 -0.00 0.00 0.00 0.00 0.00 179.25 180.02 3nfu h ARG 83 N 1.15 -0.00 -0.81 0.00 3.08 -0.88 -1.13 114.38 115.79 3nfu h ARG 83 Ca 0.26 0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.44 3nfu h ARG 83 Cb 0.23 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.19 3nfu h ARG 83 CO -0.02 0.12 0.42 0.78 -1.07 0.00 0.00 179.97 180.19 3nfu h GLY 84 N -0.12 1.27 1.25 0.04 0.00 -1.14 0.24 103.07 104.62 3nfu h GLY 84 Ca -0.00 -0.25 -0.17 0.00 0.00 0.00 0.00 47.33 46.91 3nfu h GLY 84 CO 0.00 0.02 -0.48 -2.00 0.00 0.00 0.00 176.54 174.08 3nfu h LEU 85 N 0.64 0.87 -0.52 3.11 5.85 -0.94 -3.12 115.31 121.21 3nfu h LEU 85 Ca 0.42 -0.44 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 3nfu h LEU 85 Cb 0.53 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3nfu h LEU 85 CO -0.32 1.21 -0.25 -0.07 -0.34 0.00 0.00 178.44 178.66 3nfu h LEU 86 N 0.63 0.00 -0.17 2.25 3.38 -0.64 -3.04 115.31 117.72 3nfu h LEU 86 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3nfu h LEU 86 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3nfu h LEU 86 CO 0.11 0.25 0.00 0.00 0.09 0.00 0.00 178.44 178.89 3nfu n ALA 87 N -2.19 1.97 -0.10 1.53 0.00 0.81 -3.40 120.51 119.13 3nfu n ALA 87 Ca 0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 53.44 53.41 3nfu n ALA 87 Cb 0.55 -1.39 0.23 0.00 0.00 0.00 0.00 19.45 18.84 3nfu n ALA 87 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3nfu h GLN 88 N 0.00 0.75 -0.23 0.00 4.20 -1.52 -2.74 115.11 115.57 3nfu h GLN 88 Ca 0.00 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.56 3nfu h GLN 88 Cb 0.45 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.12 3nfu h GLN 88 CO 0.00 0.68 0.00 0.41 -0.67 0.00 0.00 178.83 179.25 3nfu n GLY 89 N -0.91 -0.15 5.43 3.46 0.00 -1.22 -4.99 105.19 106.81 3nfu n GLY 89 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.20 -1.91 3.90 -0.02 0.00 -1.04 -4.95 105.19 101.37 3nfu n GLY 90 Ca 0.00 -1.55 -0.28 0.00 0.00 0.00 0.00 46.02 44.19 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 0.00 3.61 0.13 1.61 0.04 -1.26 -4.77 135.00 134.36 3nfu s PRO 91 Ca 0.00 0.18 0.08 0.00 0.04 0.00 0.00 61.00 61.30 3nfu s PRO 91 Cb 0.00 -2.46 -0.04 0.00 0.04 0.00 0.00 34.50 32.04 3nfu s PRO 91 CO 0.00 -0.05 -0.20 -1.21 0.04 0.00 0.00 177.00 175.58 3nfu s GLU 92 N -4.25 1.20 -0.07 4.56 2.02 -1.26 -5.15 118.70 115.74 3nfu s GLU 92 Ca 0.47 -1.27 -0.00 0.00 0.02 0.00 0.00 54.97 54.19 3nfu s GLU 92 Cb -0.10 -1.40 -0.03 0.00 0.10 0.00 0.00 34.13 32.70 3nfu s GLU 92 CO 0.38 0.31 -0.04 -1.21 0.02 0.00 0.00 175.26 174.71 3nfu s GLU 93 N -2.27 2.82 0.18 1.61 2.02 -1.26 -5.03 118.70 116.78 3nfu s GLU 93 Ca 0.11 -0.50 -0.12 0.00 0.02 0.00 0.00 54.97 54.47 3nfu s GLU 93 Cb -0.08 -2.66 0.09 0.00 0.10 0.00 0.00 34.13 31.58 3nfu s GLU 93 CO 0.05 0.68 1.77 -0.09 0.02 0.00 0.00 175.26 177.69 3nfu h ARG 94 N 5.20 0.89 0.00 1.61 2.43 -1.98 -3.34 114.38 119.19 3nfu h ARG 94 Ca -0.49 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 58.55 3nfu h ARG 94 Cb 1.18 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 3nfu h ARG 94 CO 0.53 0.71 0.00 0.41 -1.51 0.00 0.00 179.97 180.11 3nfu n GLY 95 N -0.95 -1.92 0.40 2.80 0.00 -1.26 -1.69 105.19 102.56 3nfu n GLY 95 Ca 0.04 -1.64 0.08 0.00 0.00 0.00 0.00 46.02 44.50 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 0.00 1.64 -1.39 1.61 5.12 -1.26 -4.99 116.66 117.39 3nfu n ARG 96 Ca 0.00 -0.90 -0.29 0.00 -1.93 0.00 0.00 57.85 54.73 3nfu n ARG 96 Cb 0.00 -1.27 0.13 0.00 -1.16 0.00 0.00 32.46 30.16 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 -1.79 1.26 0.53 5.56 -1.52 -1.26 -4.86 119.66 117.57 3nfu s GLN 97 Ca 0.14 0.54 0.27 0.00 -1.95 0.00 0.00 55.36 54.36 3nfu s GLN 97 Cb 0.13 -1.83 1.48 0.00 -0.22 0.00 0.00 33.01 32.56 3nfu s GLN 97 CO 0.37 -2.17 2.10 1.79 -0.25 0.00 0.00 175.29 177.12 3nfu h THR 98 N -1.49 0.60 -1.87 -0.19 1.35 -1.94 -3.44 112.91 105.93 3nfu h THR 98 Ca -0.50 -0.45 -0.52 0.00 -0.55 0.00 0.00 66.41 64.39 3nfu h THR 98 Cb 1.30 1.29 -0.06 0.00 -1.73 0.00 0.00 68.15 68.96 3nfu h THR 98 CO 0.59 0.10 -0.49 0.72 -0.25 0.00 0.00 175.52 176.19 3nfu s PHE 99 N -4.30 2.82 -0.18 4.73 -0.12 -1.26 -5.01 117.98 114.67 3nfu s PHE 99 Ca -0.03 -0.33 -0.17 0.00 -0.05 0.00 0.00 56.93 56.34 3nfu s PHE 99 Cb 0.14 -1.72 -0.04 0.00 -0.63 0.00 0.00 43.02 40.77 3nfu s PHE 99 CO 0.59 0.26 0.45 0.34 -0.05 0.00 0.00 175.22 176.80 3nfu s ASP 100 N -3.92 6.54 0.00 1.98 -1.08 -1.26 -4.86 116.67 114.06 3nfu s ASP 100 Ca 0.39 0.64 0.25 0.00 -0.52 0.00 0.00 52.55 53.31 3nfu s ASP 100 Cb -0.04 -2.26 0.65 0.00 -1.46 0.00 0.00 42.92 39.81 3nfu s ASP 100 CO 0.25 -0.07 1.51 0.18 0.52 0.00 0.00 175.17 177.56 3nfu n LEU 101 N 4.29 2.26 -4.73 -1.34 4.77 -0.68 -4.95 117.00 116.61 3nfu n LEU 101 Ca -0.07 -0.84 -0.30 0.00 -0.03 0.00 0.00 56.01 54.77 3nfu n LEU 101 Cb 0.51 -0.06 0.12 0.00 -2.33 0.00 0.00 43.42 41.66 3nfu n LEU 101 CO 0.41 0.42 0.68 -0.13 -1.33 0.00 0.00 177.39 177.44 3nfu s ARG 102 N -1.87 1.53 -0.00 3.23 0.52 -1.25 -4.96 118.95 116.14 3nfu s ARG 102 Ca 0.34 0.90 -0.03 0.00 -0.52 0.00 0.00 55.73 56.42 3nfu s ARG 102 Cb 0.20 -1.83 -0.02 0.00 0.52 0.00 0.00 34.95 33.82 3nfu s ARG 102 CO 0.31 -2.07 -0.07 0.28 0.02 0.00 0.00 175.30 173.76 3nfu n VAL 103 N -3.78 0.87 -0.23 3.52 0.31 -1.26 -4.78 118.33 112.98 3nfu n VAL 103 Ca 0.07 0.17 -0.07 0.00 -0.01 0.00 0.00 64.34 64.50 3nfu n VAL 103 Cb 0.55 -1.68 0.04 0.00 -0.91 0.00 0.00 33.84 31.84 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 -0.21 0.83 -0.77 3.52 0.00 -1.95 -2.25 119.26 118.42 3nfu h ALA 104 Ca -0.06 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3nfu h ALA 104 Cb 0.61 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3nfu h ALA 104 CO -0.04 0.39 0.50 -0.39 0.00 0.00 0.00 179.25 179.71 3nfu h VAL 105 N 0.88 1.20 -0.02 0.00 -1.51 -1.89 -1.51 116.25 113.40 3nfu h VAL 105 Ca 0.22 -0.39 -0.00 0.00 -1.23 0.00 0.00 66.70 65.30 3nfu h VAL 105 Cb 0.11 0.08 -0.00 0.00 -2.13 0.00 0.00 31.29 29.35 3nfu h VAL 105 CO -0.03 0.20 -0.00 0.45 -1.23 0.00 0.00 177.57 176.96 3nfu h HIS 106 N 1.05 0.04 -0.64 5.19 3.86 -1.54 -2.39 115.15 120.72 3nfu h HIS 106 Ca 0.28 -0.01 0.12 0.00 -1.16 0.00 0.00 60.37 59.60 3nfu h HIS 106 Cb -0.10 -0.01 -0.08 0.00 1.06 0.00 0.00 27.41 28.27 3nfu h HIS 106 CO 0.00 0.36 0.20 0.28 0.86 0.00 0.00 177.93 179.63 3nfu h VAL 107 N -0.29 0.68 -0.70 2.45 2.07 -1.17 -1.92 116.25 117.36 3nfu h VAL 107 Ca 0.01 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 3nfu h VAL 107 Cb 0.35 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 3nfu h VAL 107 CO 0.00 0.06 0.37 0.40 0.02 0.00 0.00 177.57 178.42 3nfu h ILE 108 N 0.35 1.22 -0.57 4.57 2.04 -1.23 -2.97 117.51 120.92 3nfu h ILE 108 Ca 0.34 -0.59 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 3nfu h ILE 108 Cb 0.49 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 3nfu h ILE 108 CO -0.38 0.25 0.25 0.74 0.00 0.00 0.00 178.15 179.01 3nfu h THR 109 N 0.97 1.22 0.16 -0.27 2.02 -0.83 0.10 112.91 116.28 3nfu h THR 109 Ca 0.25 -0.66 0.01 0.00 0.77 0.00 0.00 66.41 66.77 3nfu h THR 109 Cb 0.07 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 3nfu h THR 109 CO -0.04 0.26 -0.18 0.00 0.37 0.00 0.00 175.52 175.93 3nfu h ALA 110 N 1.09 -0.34 -0.49 6.16 0.00 -1.36 -0.07 119.26 124.25 3nfu h ALA 110 Ca 0.19 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3nfu h ALA 110 Cb 0.17 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3nfu h ALA 110 CO -0.02 -0.72 0.31 0.82 0.00 0.00 0.00 179.25 179.64 3nfu h ILE 111 N -0.38 1.09 -0.08 0.00 2.04 -1.38 -2.08 117.51 116.73 3nfu h ILE 111 Ca 0.01 -0.22 0.04 0.00 1.00 0.00 0.00 64.86 65.69 3nfu h ILE 111 Cb 0.37 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 36.80 3nfu h ILE 111 CO -0.06 0.12 -0.19 -0.08 0.00 0.00 0.00 178.15 177.93 3nfu h GLU 112 N 0.63 -0.26 -0.01 2.37 4.81 -0.63 -1.56 114.58 119.93 3nfu h GLU 112 Ca 0.19 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 3nfu h GLU 112 Cb -0.03 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 3nfu h GLU 112 CO -0.06 -0.18 -0.01 1.03 -0.73 0.00 0.00 179.01 179.06 3nfu h SER 113 N -0.27 -0.04 -0.25 1.04 0.87 -0.88 0.38 113.55 114.40 3nfu h SER 113 Ca 0.08 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.61 3nfu h SER 113 Cb 0.39 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 3nfu h SER 113 CO -0.24 -0.02 0.03 0.00 -0.53 0.00 0.00 176.83 176.07 3nfu h ALA 114 N 0.99 1.40 0.25 6.23 0.00 -1.08 0.65 119.26 127.70 3nfu h ALA 114 Ca 0.01 -0.18 -0.34 0.00 0.00 0.00 0.00 54.91 54.40 3nfu h ALA 114 Cb 0.03 -0.15 0.04 0.00 0.00 0.00 0.00 17.79 17.71 3nfu h ALA 114 CO -0.02 0.42 -1.48 -0.07 0.00 0.00 0.00 179.25 178.10 3nfu h LEU 115 N 0.51 0.81 -1.17 0.00 3.38 -1.13 -2.71 115.31 115.00 3nfu h LEU 115 Ca 0.11 -0.88 -0.06 0.00 0.09 0.00 0.00 57.88 57.14 3nfu h LEU 115 Cb 0.29 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3nfu h LEU 115 CO 0.01 1.69 -0.02 -0.26 0.09 0.00 0.00 178.44 179.95 3nfu h PHE 116 N 0.14 0.58 -0.06 1.13 0.04 -0.84 0.61 116.94 118.54 3nfu h PHE 116 Ca -0.25 -0.06 0.03 0.00 2.80 0.00 0.00 57.97 60.48 3nfu h PHE 116 Cb 2.16 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 40.11 3nfu h PHE 116 CO 0.12 0.58 -0.15 0.22 -0.60 0.00 0.00 178.31 178.48 3nfu h ASP 117 N 0.53 -0.45 -0.36 2.17 1.82 -0.90 0.29 116.42 119.53 3nfu h ASP 117 Ca 0.11 0.07 -0.14 0.00 -0.39 0.00 0.00 57.03 56.68 3nfu h ASP 117 Cb 0.37 0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.57 3nfu h ASP 117 CO 0.01 -0.20 -0.34 -0.07 -1.61 0.00 0.00 179.24 177.04 3nfu h LEU 118 N -0.22 0.91 -0.41 2.28 3.38 -1.36 -2.19 115.31 117.71 3nfu h LEU 118 Ca 0.07 -0.46 -0.05 0.00 0.09 0.00 0.00 57.88 57.52 3nfu h LEU 118 Cb 0.31 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3nfu h LEU 118 CO -0.19 1.19 0.05 0.15 0.09 0.00 0.00 178.44 179.73 3nfu h PHE 119 N 0.65 0.73 -0.85 1.13 3.57 -0.79 -0.12 116.94 121.25 3nfu h PHE 119 Ca 0.06 -0.11 0.09 0.00 3.53 0.00 0.00 57.97 61.54 3nfu h PHE 119 Cb 0.92 -0.20 -0.07 0.00 2.79 0.00 0.00 35.95 39.39 3nfu h PHE 119 CO 0.07 0.72 0.50 0.78 -2.23 0.00 0.00 178.31 178.15 3nfu h GLY 120 N 0.53 1.32 0.96 2.40 0.00 -0.93 -0.35 103.07 107.00 3nfu h GLY 120 Ca 0.12 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 47.03 3nfu h GLY 120 CO 0.01 0.16 -0.08 1.46 0.00 0.00 0.00 176.54 178.09 3nfu h GLN 121 N 0.85 0.72 -0.54 4.80 4.20 -0.95 0.25 115.11 124.45 3nfu h GLN 121 Ca 0.40 -0.27 0.02 0.00 0.06 0.00 0.00 58.65 58.87 3nfu h GLN 121 Cb 0.34 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 3nfu h GLN 121 CO -0.24 0.86 0.36 0.00 -0.67 0.00 0.00 178.83 179.14 3nfu h ALA 122 N 0.83 1.70 0.00 3.87 0.00 -0.56 -2.89 119.26 122.21 3nfu h ALA 122 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3nfu h ALA 122 Cb 0.59 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3nfu h ALA 122 CO 0.04 0.25 -0.65 1.28 0.00 0.00 0.00 179.25 180.17 3nfu n LEU 123 N -4.47 0.63 -1.97 0.00 4.77 -0.18 -4.94 117.00 110.85 3nfu n LEU 123 Ca 0.06 0.14 -0.15 0.00 -0.03 0.00 0.00 56.01 56.03 3nfu n LEU 123 Cb 0.11 -0.19 0.01 0.00 -2.33 0.00 0.00 43.42 41.02 3nfu n LEU 123 CO 0.35 0.00 -0.10 0.61 -1.33 0.00 0.00 177.39 176.93 3nfu n GLY 124 N 1.38 -0.21 3.28 -0.72 0.00 0.05 -5.03 105.19 103.94 3nfu n GLY 124 Ca 0.04 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 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 -5.06 1.73 0.58 1.61 1.00 0.67 -4.68 119.30 115.15 3nfu s MET 125 Ca 0.11 -0.94 -0.19 0.00 0.00 0.00 0.00 55.69 54.67 3nfu s MET 125 Cb -0.05 -1.78 -0.04 0.00 0.00 0.00 0.00 34.83 32.96 3nfu s MET 125 CO 0.14 0.47 1.18 -2.14 0.00 0.00 0.00 175.02 174.66 3nfu s PRO 126 N -0.92 3.09 0.22 2.03 0.02 -1.23 0.17 135.00 138.38 3nfu s PRO 126 Ca 0.09 1.74 -0.08 0.00 0.02 0.00 0.00 61.00 62.77 3nfu s PRO 126 Cb -0.09 -1.96 0.31 0.00 0.02 0.00 0.00 34.50 32.78 3nfu s PRO 126 CO 0.01 -1.09 1.75 0.28 -0.33 0.00 0.00 177.00 177.62 3nfu h VAL 127 N 0.96 0.78 -1.07 3.83 2.07 -1.40 -1.97 116.25 119.45 3nfu h VAL 127 Ca -0.50 -0.16 0.28 0.00 0.82 0.00 0.00 66.70 67.14 3nfu h VAL 127 Cb 1.28 0.28 -0.08 0.00 -1.52 0.00 0.00 31.29 31.25 3nfu h VAL 127 CO 0.56 0.08 0.70 0.00 0.02 0.00 0.00 177.57 178.93 3nfu h ALA 128 N 1.43 2.43 0.00 1.67 0.00 -1.85 0.11 119.26 123.05 3nfu h ALA 128 Ca 0.33 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3nfu h ALA 128 Cb 0.40 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3nfu h ALA 128 CO -0.31 -0.82 -0.08 -0.25 0.00 0.00 0.00 179.25 177.79 3nfu n ASP 129 N -4.53 0.33 0.05 0.00 9.92 -0.75 -2.81 116.55 118.76 3nfu n ASP 129 Ca 0.25 0.43 0.11 0.00 -0.53 0.00 0.00 54.79 55.06 3nfu n ASP 129 Cb 0.96 -0.48 0.03 0.00 -0.64 0.00 0.00 41.12 40.99 3nfu n ASP 129 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3nfu n LEU 130 N -1.76 0.64 -4.88 0.64 4.77 0.37 -4.61 117.00 112.15 3nfu n LEU 130 Ca 0.06 0.11 -0.32 0.00 -0.03 0.00 0.00 56.01 55.82 3nfu n LEU 130 Cb 0.37 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 41.31 3nfu n LEU 130 CO 0.29 -0.03 0.11 -0.76 -1.33 0.00 0.00 177.39 175.67 3nfu s LEU 131 N -4.33 4.25 0.00 2.23 1.43 -1.15 -4.94 118.68 116.17 3nfu s LEU 131 Ca 0.02 0.76 0.00 0.00 -1.03 0.00 0.00 54.13 53.88 3nfu s LEU 131 Cb 0.13 -3.37 0.00 0.00 0.03 0.00 0.00 46.19 42.98 3nfu s LEU 131 CO 0.79 0.04 0.00 0.61 0.23 0.00 0.00 176.35 178.02 3nfu n GLY 132 N 0.20 -1.86 0.13 -3.19 0.00 -1.26 -1.99 105.19 97.22 3nfu n GLY 132 Ca -0.03 -1.27 -0.01 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.01 1.61 4.20 -1.94 -3.36 115.11 115.61 3nfu h GLN 133 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3nfu h GLN 133 Cb 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.35 3nfu h GLN 133 CO 0.00 0.65 -0.19 0.66 -0.67 0.00 0.00 178.83 179.28 3nfu n TYR 134 N -3.63 0.00 -3.27 2.96 4.01 -1.26 -5.09 117.16 110.89 3nfu n TYR 134 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 3nfu n TYR 134 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.70 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 1.00 1.05 3.69 2.72 0.00 -0.84 -4.65 105.19 108.15 3nfu n GLY 135 Ca 0.07 -0.58 -0.44 0.00 0.00 0.00 0.00 46.02 45.06 3nfu n GLY 135 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3nfu n ARG 136 N 0.74 2.49 0.00 1.61 0.63 -1.12 -4.34 116.66 116.67 3nfu n ARG 136 Ca 0.00 0.90 0.00 0.00 -0.92 0.00 0.00 57.85 57.83 3nfu n ARG 136 Cb 0.00 -2.74 0.00 0.00 0.45 0.00 0.00 32.46 30.17 3nfu n ARG 136 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3nfu n GLN 137 N 4.85 2.53 -3.52 -0.14 1.13 0.69 -4.97 117.38 117.94 3nfu n GLN 137 Ca 0.18 -0.24 -0.16 0.00 -1.94 0.00 0.00 57.00 54.84 3nfu n GLN 137 Cb 0.33 -0.71 -0.05 0.00 0.11 0.00 0.00 30.24 29.91 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 -0.43 1.02 0.00 -1.09 1.70 -1.12 -4.95 118.95 114.09 3nfu s ARG 138 Ca 0.00 0.17 0.21 0.00 -0.47 0.00 0.00 55.73 55.64 3nfu s ARG 138 Cb 0.00 0.48 -0.18 0.00 -0.57 0.00 0.00 34.95 34.68 3nfu s ARG 138 CO 0.00 -0.34 0.92 -0.25 -1.08 0.00 0.00 175.30 174.56 3nfu n ASP 139 N 0.75 1.21 -4.16 -2.89 8.00 -1.26 -4.82 116.55 113.37 3nfu n ASP 139 Ca -0.18 -1.10 -0.17 0.00 0.71 0.00 0.00 54.79 54.05 3nfu n ASP 139 Cb 0.58 0.89 -0.12 0.00 -0.02 0.00 0.00 41.12 42.45 3nfu n ASP 139 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 3nfu s GLU 140 N -2.84 0.78 -0.11 -1.24 -1.05 -1.26 -0.11 118.70 112.88 3nfu s GLU 140 Ca 0.10 -0.96 -0.01 0.00 -0.15 0.00 0.00 54.97 53.95 3nfu s GLU 140 Cb 0.16 -0.71 0.03 0.00 -0.44 0.00 0.00 34.13 33.17 3nfu s GLU 140 CO 0.79 0.15 -0.02 0.08 0.95 0.00 0.00 175.26 177.21 3nfu s VAL 141 N -1.46 0.61 0.32 1.83 1.01 0.45 -4.92 120.40 118.24 3nfu s VAL 141 Ca -0.02 -0.14 -0.29 0.00 0.00 0.00 0.00 61.98 61.54 3nfu s VAL 141 Cb -0.09 -0.79 -0.10 0.00 0.00 0.00 0.00 36.38 35.40 3nfu s VAL 141 CO 0.02 0.21 1.23 -1.61 0.00 0.00 0.00 175.10 174.95 3nfu s GLU 142 N 1.87 4.43 -0.01 2.72 2.02 -1.26 -0.03 118.70 128.44 3nfu s GLU 142 Ca 0.04 2.07 0.06 0.00 0.02 0.00 0.00 54.97 57.16 3nfu s GLU 142 Cb -0.13 -3.09 -0.02 0.00 0.10 0.00 0.00 34.13 30.99 3nfu s GLU 142 CO -0.07 -0.07 -0.20 0.00 0.02 0.00 0.00 175.26 174.94 3nfu s ALA 143 N -1.16 1.70 0.58 5.21 0.00 -0.27 -1.29 121.76 126.53 3nfu s ALA 143 Ca 0.48 -0.91 -0.02 0.00 0.00 0.00 0.00 51.96 51.52 3nfu s ALA 143 Cb -0.37 -0.42 0.03 0.00 0.00 0.00 0.00 23.12 22.37 3nfu s ALA 143 CO 0.48 0.41 0.83 -0.48 0.00 0.00 0.00 175.76 177.01 3nfu s LEU 144 N -0.60 3.21 -0.34 0.00 0.05 -0.53 -4.70 118.68 115.78 3nfu s LEU 144 Ca 0.08 0.22 -0.22 0.00 0.05 0.00 0.00 54.13 54.26 3nfu s LEU 144 Cb -0.08 -3.04 0.00 0.00 -2.05 0.00 0.00 46.19 41.02 3nfu s LEU 144 CO -0.00 -1.18 0.70 -0.83 -0.55 0.00 0.00 176.35 174.49 3nfu s GLY 145 N -4.40 1.72 -0.87 -3.48 0.00 0.61 -4.48 107.32 96.41 3nfu s GLY 145 Ca 0.56 -0.67 -0.20 0.00 0.00 0.00 0.00 44.72 44.41 3nfu s GLY 145 CO 0.41 1.61 1.09 -0.47 0.00 0.00 0.00 173.10 175.74 3nfu s TYR 146 N 2.84 3.00 0.17 1.90 6.04 -1.26 -1.37 117.35 128.67 3nfu s TYR 146 Ca 0.28 -1.18 -0.19 0.00 0.04 0.00 0.00 57.07 56.02 3nfu s TYR 146 Cb -0.14 -4.29 -0.08 0.00 -1.04 0.00 0.00 41.96 36.41 3nfu s TYR 146 CO 0.14 -1.54 0.67 -0.51 -1.54 0.00 0.00 175.55 172.78 3nfu s LEU 147 N 3.07 4.41 0.15 6.97 1.43 0.50 -4.97 118.68 130.24 3nfu s LEU 147 Ca 0.30 1.35 0.07 0.00 -1.03 0.00 0.00 54.13 54.83 3nfu s LEU 147 Cb -0.08 -3.37 -0.04 0.00 0.03 0.00 0.00 46.19 42.74 3nfu s LEU 147 CO -0.05 0.11 -0.15 -0.36 0.23 0.00 0.00 176.35 176.13 3nfu s PHE 148 N -1.39 1.60 0.30 0.29 0.08 -1.26 -0.89 117.98 116.70 3nfu s PHE 148 Ca 0.39 -0.54 -0.27 0.00 0.12 0.00 0.00 56.93 56.63 3nfu s PHE 148 Cb -0.18 -0.80 -0.10 0.00 -0.57 0.00 0.00 43.02 41.37 3nfu s PHE 148 CO 0.21 0.24 0.96 -0.51 -0.10 0.00 0.00 175.22 176.02 3nfu s LEU 149 N -2.70 4.44 -0.12 -0.37 1.43 -1.26 -4.95 118.68 115.15 3nfu s LEU 149 Ca 0.14 1.91 0.02 0.00 -1.03 0.00 0.00 54.13 55.17 3nfu s LEU 149 Cb -0.04 -3.87 0.01 0.00 0.03 0.00 0.00 46.19 42.32 3nfu s LEU 149 CO 0.05 -0.02 -0.17 -0.76 0.23 0.00 0.00 176.35 175.68 3nfu s LEU 150 N -1.77 1.81 0.71 1.79 1.43 0.46 -0.92 118.68 122.19 3nfu s LEU 150 Ca 0.47 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 52.99 3nfu s LEU 150 Cb -0.22 -1.18 0.02 0.00 0.03 0.00 0.00 46.19 44.84 3nfu s LEU 150 CO 0.28 0.02 1.07 -0.83 0.23 0.00 0.00 176.35 177.12 3nfu s GLY 151 N 0.99 1.74 -0.32 -3.19 0.00 -0.45 -0.95 107.32 105.14 3nfu s GLY 151 Ca -0.06 0.20 -0.29 0.00 0.00 0.00 0.00 44.72 44.58 3nfu s GLY 151 CO -0.02 0.53 1.26 -0.35 0.00 0.00 0.00 173.10 174.52 3nfu s ASP 152 N -3.49 6.69 0.54 1.64 -1.08 -1.26 -4.29 116.67 115.42 3nfu s ASP 152 Ca 0.60 1.12 0.30 0.00 -0.52 0.00 0.00 52.55 54.05 3nfu s ASP 152 Cb -0.16 -2.54 1.53 0.00 -1.46 0.00 0.00 42.92 40.29 3nfu s ASP 152 CO 0.53 -1.08 2.08 1.55 0.52 0.00 0.00 175.17 178.77 3nfu h PRO 153 N 9.19 0.00 0.00 4.34 0.13 -1.94 -2.51 132.00 141.22 3nfu h PRO 153 Ca -0.25 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.87 3nfu h PRO 153 Cb 1.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 3nfu h PRO 153 CO 1.04 0.10 -0.05 -0.44 -0.23 0.00 0.00 178.00 178.42 3nfu h ASP 154 N 0.00 0.00 0.25 1.44 3.32 -1.95 -1.22 116.42 118.26 3nfu h ASP 154 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3nfu h ASP 154 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3nfu h ASP 154 CO 0.01 0.05 0.00 0.29 -1.72 0.00 0.00 179.24 177.87 3nfu n LYS 155 N -3.30 0.26 -4.36 3.56 5.02 -0.94 -4.83 118.16 113.56 3nfu n LYS 155 Ca -0.01 0.12 -0.20 0.00 -2.02 0.00 0.00 58.31 56.20 3nfu n LYS 155 Cb 0.22 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.63 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 -2.50 1.84 -0.46 -0.18 -4.23 -0.46 -4.88 115.64 104.76 3nfu s THR 156 Ca 0.16 -2.16 0.11 0.00 -1.18 0.00 0.00 61.69 58.62 3nfu s THR 156 Cb 0.10 -2.02 0.65 0.00 1.34 0.00 0.00 72.50 72.57 3nfu s THR 156 CO 0.23 -0.51 1.49 -0.90 -0.54 0.00 0.00 174.62 174.39 3nfu n ASP 157 N -0.25 4.71 -4.84 3.99 5.68 -1.26 -4.99 116.55 119.58 3nfu n ASP 157 Ca -0.09 -2.71 -0.36 0.00 -0.50 0.00 0.00 54.79 51.13 3nfu n ASP 157 Cb 0.60 -0.64 -0.06 0.00 -1.14 0.00 0.00 41.12 39.88 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 -2.14 4.40 -1.21 -2.12 1.43 -1.26 -4.99 118.68 112.79 3nfu s LEU 158 Ca 0.43 1.00 -0.08 0.00 -1.03 0.00 0.00 54.13 54.45 3nfu s LEU 158 Cb 0.33 -2.99 -0.07 0.00 0.03 0.00 0.00 46.19 43.49 3nfu s LEU 158 CO 0.13 0.19 2.50 -0.81 0.23 0.00 0.00 176.35 178.59 3nfu n PRO 159 N 1.17 2.78 -2.42 1.29 -0.04 -1.26 -4.93 135.00 131.60 3nfu n PRO 159 Ca -0.09 -1.76 -0.41 0.00 -0.04 0.00 0.00 63.50 61.20 3nfu n PRO 159 Cb 0.52 -2.59 -0.04 0.00 -0.04 0.00 0.00 33.50 31.35 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 2.83 3.49 0.41 0.54 2.02 -1.26 -4.86 117.35 120.51 3nfu s TYR 160 Ca 0.53 1.57 -0.25 0.00 -0.37 0.00 0.00 57.07 58.55 3nfu s TYR 160 Cb 0.14 -3.36 -0.08 0.00 -0.40 0.00 0.00 41.96 38.25 3nfu s TYR 160 CO -0.04 -0.88 1.19 -1.25 -1.57 0.00 0.00 175.55 172.99 3nfu s PRO 161 N -0.95 4.00 -0.08 -1.71 0.04 -1.26 -5.05 135.00 129.99 3nfu s PRO 161 Ca 0.48 1.88 0.02 0.00 0.04 0.00 0.00 61.00 63.42 3nfu s PRO 161 Cb -0.33 -2.65 0.01 0.00 0.04 0.00 0.00 34.50 31.58 3nfu s PRO 161 CO 0.40 -0.38 -0.13 1.03 0.04 0.00 0.00 177.00 177.96 3nfu s ARG 162 N -2.34 1.89 -0.06 4.56 3.00 -1.26 -4.82 118.95 119.92 3nfu s ARG 162 Ca 0.58 -0.47 -0.30 0.00 0.00 0.00 0.00 55.73 55.54 3nfu s ARG 162 Cb -0.31 -1.57 -0.05 0.00 0.00 0.00 0.00 34.95 33.02 3nfu s ARG 162 CO 0.39 0.01 1.57 0.08 0.00 0.00 0.00 175.30 177.36 3nfu s VAL 163 N 0.74 3.66 -0.01 3.52 1.01 -1.26 -4.92 120.40 123.15 3nfu s VAL 163 Ca -0.13 0.86 -0.25 0.00 0.00 0.00 0.00 61.98 62.46 3nfu s VAL 163 Cb -0.16 -3.55 -0.18 0.00 0.00 0.00 0.00 36.38 32.49 3nfu s VAL 163 CO 0.03 -0.06 1.28 0.00 0.00 0.00 0.00 175.10 176.34 3nfu h ALA 164 N 9.08 -0.12 -3.21 5.51 0.00 -1.99 -3.40 119.26 125.13 3nfu h ALA 164 Ca -0.37 -0.20 -0.63 0.00 0.00 0.00 0.00 54.91 53.71 3nfu h ALA 164 Cb 1.17 0.05 -0.41 0.00 0.00 0.00 0.00 17.79 18.60 3nfu h ALA 164 CO 0.95 -0.36 -0.65 -0.51 0.00 0.00 0.00 179.25 178.68 3nfu s ASP 165 N -5.46 4.20 0.37 0.00 1.11 -1.26 -5.11 116.67 110.51 3nfu s ASP 165 Ca -0.15 -3.12 -0.27 0.00 0.18 0.00 0.00 52.55 49.19 3nfu s ASP 165 Cb 0.02 -1.48 -0.09 0.00 1.07 0.00 0.00 42.92 42.44 3nfu s ASP 165 CO 0.62 -0.20 1.25 -2.16 1.18 0.00 0.00 175.17 175.86 3nfu s PRO 166 N -0.40 4.19 -0.15 8.23 0.04 -1.26 -4.98 135.00 140.67 3nfu s PRO 166 Ca 0.19 2.07 -0.05 0.00 0.04 0.00 0.00 61.00 63.25 3nfu s PRO 166 Cb -0.20 -2.89 -0.07 0.00 0.04 0.00 0.00 34.50 31.38 3nfu s PRO 166 CO -0.04 -0.28 -0.17 0.28 0.04 0.00 0.00 177.00 176.83 3nfu n VAL 167 N 0.45 0.80 -4.11 -0.36 0.31 -1.26 -5.09 118.33 109.07 3nfu n VAL 167 Ca 0.02 -0.23 -0.06 0.00 -0.01 0.00 0.00 64.34 64.05 3nfu n VAL 167 Cb 0.44 -1.50 -0.02 0.00 -0.91 0.00 0.00 33.84 31.84 3nfu n VAL 167 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3nfu n ASP 168 N -3.45 0.34 -0.16 4.52 5.68 -1.26 -5.05 116.55 117.17 3nfu n ASP 168 Ca -0.28 -1.63 0.04 0.00 -0.50 0.00 0.00 54.79 52.42 3nfu n ASP 168 Cb 0.72 0.40 0.33 0.00 -1.14 0.00 0.00 41.12 41.43 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 1.26 1.62 -0.37 2.12 0.00 -1.98 -2.70 119.26 119.21 3nfu h ALA 169 Ca -0.08 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3nfu h ALA 169 Cb 0.35 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3nfu h ALA 169 CO 0.12 0.32 0.02 2.35 0.00 0.00 0.00 179.25 182.06 3nfu h TRP 170 N 0.81 0.58 0.00 0.00 2.91 -1.95 -1.88 115.95 116.42 3nfu h TRP 170 Ca 0.26 -0.06 -0.04 0.00 1.13 0.00 0.00 58.89 60.19 3nfu h TRP 170 Cb 0.05 -0.17 -0.01 0.00 -0.51 0.00 0.00 29.16 28.52 3nfu h TRP 170 CO -0.00 0.56 -0.19 -0.44 -1.03 0.00 0.00 178.44 177.34 3nfu h ASP 171 N 0.54 0.00 0.24 2.65 3.32 -1.84 -3.12 116.42 118.21 3nfu h ASP 171 Ca 0.12 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 3nfu h ASP 171 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 3nfu h ASP 171 CO 0.01 0.19 -0.11 -0.33 -1.72 0.00 0.00 179.24 177.27 3nfu h GLU 172 N 0.00 -0.31 0.00 3.56 5.08 -1.33 -3.40 114.58 118.18 3nfu h GLU 172 Ca -0.00 0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 3nfu h GLU 172 Cb 0.35 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 3nfu h GLU 172 CO 0.02 -0.21 -0.53 -0.39 -1.00 0.00 0.00 179.01 176.91 3nfu h VAL 173 N -0.88 0.95 0.00 3.13 -1.51 -1.57 -3.33 116.25 113.04 3nfu h VAL 173 Ca -0.03 -2.22 0.00 0.00 -1.23 0.00 0.00 66.70 63.22 3nfu h VAL 173 Cb 0.25 2.38 0.00 0.00 -2.13 0.00 0.00 31.29 31.79 3nfu h VAL 173 CO 0.05 0.52 0.00 0.08 -1.23 0.00 0.00 177.57 176.99 3nfu h ARG 174 N 0.00 0.00 -0.07 5.19 0.11 -1.76 -2.61 114.38 115.24 3nfu h ARG 174 Ca -0.01 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 3nfu h ARG 174 Cb 1.34 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.40 3nfu h ARG 174 CO 0.07 0.00 -0.27 0.66 0.10 0.00 0.00 179.97 180.53 3nfu n TYR 175 N -2.68 0.23 -4.42 4.08 4.01 -1.25 -4.81 117.16 112.33 3nfu n TYR 175 Ca 0.01 -1.35 -0.21 0.00 -0.16 0.00 0.00 57.90 56.20 3nfu n TYR 175 Cb 0.27 -0.27 -0.10 0.00 -0.31 0.00 0.00 39.34 38.94 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 -3.12 1.67 0.30 -0.72 0.52 -0.98 -4.86 118.95 111.75 3nfu s ARG 176 Ca 0.38 -1.96 -0.29 0.00 -0.52 0.00 0.00 55.73 53.34 3nfu s ARG 176 Cb 0.35 -0.50 -0.10 0.00 0.52 0.00 0.00 34.95 35.21 3nfu s ARG 176 CO -0.02 -0.35 1.42 -2.00 0.02 0.00 0.00 175.30 174.37 3nfu s GLU 177 N -3.85 4.25 -0.28 3.54 2.12 -1.26 -4.84 118.70 118.38 3nfu s GLU 177 Ca 0.33 2.35 -0.03 0.00 0.36 0.00 0.00 54.97 57.98 3nfu s GLU 177 Cb 0.06 -3.06 0.11 0.00 0.26 0.00 0.00 34.13 31.49 3nfu s GLU 177 CO 0.15 -0.39 0.17 0.00 -0.54 0.00 0.00 175.26 174.66 3nfu s ALA 178 N -0.59 0.29 -0.01 6.30 0.00 -0.12 -4.94 121.76 122.70 3nfu s ALA 178 Ca 0.55 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.74 3nfu s ALA 178 Cb -0.43 -1.47 0.02 0.00 0.00 0.00 0.00 23.12 21.24 3nfu s ALA 178 CO 0.51 -1.62 0.78 -1.33 0.00 0.00 0.00 175.76 174.10 3nfu n MET 179 N 5.27 1.23 -4.18 0.00 2.81 -1.26 -0.40 117.12 120.58 3nfu n MET 179 Ca -0.05 -1.07 -0.12 0.00 -1.81 0.00 0.00 57.70 54.64 3nfu n MET 179 Cb 0.44 -0.76 -0.10 0.00 -0.71 0.00 0.00 33.22 32.08 3nfu n MET 179 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3nfu s THR 180 N -0.59 0.82 0.28 2.03 -4.23 -1.26 -5.03 115.64 107.66 3nfu s THR 180 Ca 0.02 -1.87 0.01 0.00 -1.18 0.00 0.00 61.69 58.68 3nfu s THR 180 Cb 0.02 -1.61 0.27 0.00 1.34 0.00 0.00 72.50 72.52 3nfu s THR 180 CO 0.00 -0.77 1.79 -0.65 -0.54 0.00 0.00 174.62 174.45 3nfu h PRO 181 N 3.10 0.77 -0.60 3.99 0.11 -1.89 -1.80 132.00 135.70 3nfu h PRO 181 Ca -0.36 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.63 3nfu h PRO 181 Cb 1.18 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 3nfu h PRO 181 CO 0.61 0.51 0.09 1.49 -0.21 0.00 0.00 178.00 180.49 3nfu h GLU 182 N 0.80 1.00 -0.15 1.05 4.57 -1.94 -1.46 114.58 118.44 3nfu h GLU 182 Ca 0.50 -0.28 -0.10 0.00 -1.18 0.00 0.00 59.36 58.30 3nfu h GLU 182 Cb 0.63 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 3nfu h GLU 182 CO -0.32 0.95 -0.35 0.00 -1.18 0.00 0.00 179.01 178.11 3nfu h ALA 183 N 1.01 1.13 -0.26 2.92 0.00 -1.82 -0.67 119.26 121.58 3nfu h ALA 183 Ca 0.18 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 3nfu h ALA 183 Cb 0.44 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3nfu h ALA 183 CO 0.01 0.56 -0.19 0.28 0.00 0.00 0.00 179.25 179.91 3nfu h VAL 184 N 0.27 1.31 -0.96 0.00 2.07 -1.29 -2.25 116.25 115.39 3nfu h VAL 184 Ca 0.03 -1.33 0.09 0.00 0.82 0.00 0.00 66.70 66.32 3nfu h VAL 184 Cb 0.75 1.60 -0.08 0.00 -1.52 0.00 0.00 31.29 32.04 3nfu h VAL 184 CO 0.06 0.42 0.60 0.00 0.02 0.00 0.00 177.57 178.67 3nfu h ALA 185 N 0.70 1.39 0.00 1.67 0.00 -1.02 -1.50 119.26 120.50 3nfu h ALA 185 Ca 0.05 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3nfu h ALA 185 Cb 0.73 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3nfu h ALA 185 CO 0.05 0.28 -0.28 -0.91 0.00 0.00 0.00 179.25 178.39 3nfu h ASN 186 N 1.02 0.00 -0.39 0.00 2.35 -1.04 -1.71 115.58 115.81 3nfu h ASN 186 Ca 0.45 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.15 3nfu h ASN 186 Cb 0.34 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.69 3nfu h ASN 186 CO -0.23 0.28 0.06 -0.07 -1.65 0.00 0.00 177.43 175.82 3nfu h LEU 187 N 0.00 0.63 -0.41 1.61 3.38 -0.69 -2.47 115.31 117.36 3nfu h LEU 187 Ca -0.00 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 3nfu h LEU 187 Cb 0.76 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 3nfu h LEU 187 CO 0.04 0.74 0.09 0.00 0.09 0.00 0.00 178.44 179.40 3nfu h ALA 188 N 0.92 0.55 -0.50 1.53 0.00 -0.80 0.18 119.26 121.13 3nfu h ALA 188 Ca 0.12 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3nfu h ALA 188 Cb 0.38 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3nfu h ALA 188 CO 0.01 0.24 0.23 0.00 0.00 0.00 0.00 179.25 179.73 3nfu h ARG 189 N 0.53 0.74 -0.20 0.00 3.08 -1.39 0.17 114.38 117.31 3nfu h ARG 189 Ca 0.13 -0.12 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 3nfu h ARG 189 Cb 0.33 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 3nfu h ARG 189 CO 0.00 0.63 -0.34 0.00 -1.07 0.00 0.00 179.97 179.19 3nfu h ALA 190 N 1.07 1.04 -0.20 0.04 0.00 -1.32 -1.50 119.26 118.38 3nfu h ALA 190 Ca 0.17 -0.39 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 3nfu h ALA 190 Cb 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3nfu h ALA 190 CO -0.02 0.59 -0.47 0.00 0.00 0.00 0.00 179.25 179.35 3nfu h ALA 191 N 1.28 0.33 -0.91 0.00 0.00 -0.74 -3.02 119.26 116.19 3nfu h ALA 191 Ca 0.04 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 3nfu h ALA 191 Cb 0.77 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 3nfu h ALA 191 CO 0.06 0.48 0.54 -0.92 0.00 0.00 0.00 179.25 179.41 3nfu h TYR 192 N 0.37 1.21 -0.16 0.00 3.20 -0.60 0.04 116.97 121.02 3nfu h TYR 192 Ca -0.00 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.90 3nfu h TYR 192 Cb 1.08 -0.40 -0.04 0.00 1.54 0.00 0.00 36.73 38.92 3nfu h TYR 192 CO 0.09 0.81 -0.08 -0.44 -1.64 0.00 0.00 178.16 176.90 3nfu h ASP 193 N 1.26 -0.26 -0.04 -2.11 3.32 -1.28 0.55 116.42 117.86 3nfu h ASP 193 Ca 0.33 0.06 -0.21 0.00 0.02 0.00 0.00 57.03 57.23 3nfu h ASP 193 Cb -0.04 0.15 0.01 0.00 0.22 0.00 0.00 39.33 39.67 3nfu h ASP 193 CO -0.06 -0.10 -0.80 -0.09 -1.72 0.00 0.00 179.24 176.47 3nfu h ARG 194 N -0.06 0.62 0.00 3.56 2.43 -1.40 -3.41 114.38 116.12 3nfu h ARG 194 Ca 0.09 -0.61 -0.05 0.00 -0.81 0.00 0.00 59.98 58.60 3nfu h ARG 194 Cb 0.19 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 3nfu h ARG 194 CO -0.20 1.22 -1.47 0.66 -1.51 0.00 0.00 179.97 178.66 3nfu n TYR 195 N -4.02 0.00 -1.50 2.20 4.01 -0.01 -4.93 117.16 112.90 3nfu n TYR 195 Ca -0.10 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.64 3nfu n TYR 195 Cb 0.76 -0.28 -0.00 0.00 -0.31 0.00 0.00 39.34 39.51 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 2.15 0.38 3.66 2.72 0.00 0.18 -1.05 105.19 113.23 3nfu n GLY 196 Ca -0.06 -0.97 -0.47 0.00 0.00 0.00 0.00 46.02 44.52 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 -3.49 2.17 0.03 1.61 3.72 -1.26 -2.33 117.46 117.92 3nfu n PHE 197 Ca -0.01 0.32 0.04 0.00 -0.05 0.00 0.00 57.45 57.76 3nfu n PHE 197 Cb 0.26 -2.51 -0.08 0.00 -0.94 0.00 0.00 39.48 36.20 3nfu n PHE 197 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3nfu n LYS 198 N 3.24 0.63 -4.28 -1.08 5.02 -1.26 -4.88 118.16 115.56 3nfu n LYS 198 Ca 0.17 0.11 -0.22 0.00 -2.02 0.00 0.00 58.31 56.35 3nfu n LYS 198 Cb 0.28 -1.74 -0.12 0.00 -0.02 0.00 0.00 35.03 33.42 3nfu n LYS 198 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3nfu s ASP 199 N -5.43 2.17 0.05 4.39 1.01 -1.26 -3.62 116.67 113.98 3nfu s ASP 199 Ca -0.04 -0.63 0.01 0.00 0.71 0.00 0.00 52.55 52.60 3nfu s ASP 199 Cb 0.10 -0.11 -0.03 0.00 1.01 0.00 0.00 42.92 43.88 3nfu s ASP 199 CO 0.82 0.02 -0.05 -0.36 0.21 0.00 0.00 175.17 175.81 3nfu s PHE 200 N -1.15 0.59 0.06 4.23 0.08 -0.79 -0.29 117.98 120.72 3nfu s PHE 200 Ca 0.03 -0.79 0.04 0.00 0.12 0.00 0.00 56.93 56.33 3nfu s PHE 200 Cb -0.10 -0.38 -0.03 0.00 -0.57 0.00 0.00 43.02 41.94 3nfu s PHE 200 CO 0.03 -0.22 -0.12 -1.59 -0.10 0.00 0.00 175.22 173.23 3nfu s LYS 201 N -2.85 0.72 -0.14 0.44 -2.85 -0.47 -2.95 119.74 111.63 3nfu s LYS 201 Ca -0.00 -0.89 -0.02 0.00 -1.00 0.00 0.00 55.97 54.05 3nfu s LYS 201 Cb -0.01 -0.64 -0.02 0.00 -2.06 0.00 0.00 37.83 35.10 3nfu s LYS 201 CO -0.04 0.14 -0.08 -1.17 0.10 0.00 0.00 175.35 174.29 3nfu s LEU 202 N -1.69 2.99 -0.03 2.77 2.96 -0.45 -0.37 118.68 124.85 3nfu s LEU 202 Ca -0.05 -0.23 -0.30 0.00 -0.22 0.00 0.00 54.13 53.34 3nfu s LEU 202 Cb -0.10 -1.70 -0.05 0.00 0.50 0.00 0.00 46.19 44.84 3nfu s LEU 202 CO 0.02 0.17 1.51 -0.75 -1.32 0.00 0.00 176.35 175.98 3nfu s LYS 203 N 0.37 4.23 0.00 1.98 2.47 -0.07 -1.09 119.74 127.62 3nfu s LYS 203 Ca -0.07 2.07 0.00 0.00 -1.56 0.00 0.00 55.97 56.40 3nfu s LYS 203 Cb -0.15 -3.75 0.00 0.00 -1.46 0.00 0.00 37.83 32.47 3nfu s LYS 203 CO 0.04 -0.71 0.00 0.41 0.16 0.00 0.00 175.35 175.25 3nfu n GLY 204 N 3.87 3.65 2.17 5.54 0.00 0.14 -4.38 105.19 116.18 3nfu n GLY 204 Ca 0.15 -1.94 -0.08 0.00 0.00 0.00 0.00 46.02 44.16 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 0.17 1.39 -0.02 0.00 -1.26 -4.10 105.19 106.37 3nfu n GLY 205 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.82 0.23 -3.33 1.61 0.31 -1.26 -2.07 118.33 110.00 3nfu n VAL 206 Ca -0.06 0.08 -0.20 0.00 -0.01 0.00 0.00 64.34 64.15 3nfu n VAL 206 Cb 0.55 -1.14 0.04 0.00 -0.91 0.00 0.00 33.84 32.39 3nfu n VAL 206 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3nfu n LEU 207 N -3.02 0.00 -4.77 7.52 4.77 -1.26 -0.59 117.00 119.64 3nfu n LEU 207 Ca 0.00 -2.40 -0.40 0.00 -0.03 0.00 0.00 56.01 53.18 3nfu n LEU 207 Cb 0.22 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3nfu n LEU 207 CO 0.00 -0.64 1.07 -0.13 -1.33 0.00 0.00 177.39 176.36 3nfu s ARG 208 N -4.27 3.99 0.24 3.23 0.52 -1.26 -4.82 118.95 116.58 3nfu s ARG 208 Ca 0.45 2.42 -0.10 0.00 -0.52 0.00 0.00 55.73 57.98 3nfu s ARG 208 Cb -0.04 -2.85 0.35 0.00 0.52 0.00 0.00 34.95 32.93 3nfu s ARG 208 CO 0.29 -0.57 1.61 0.78 0.02 0.00 0.00 175.30 177.43 3nfu h GLY 209 N 2.79 0.62 1.46 -3.53 0.00 -1.98 -0.74 103.07 101.70 3nfu h GLY 209 Ca -0.50 0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 3nfu h GLY 209 CO 0.63 -0.29 0.26 0.83 0.00 0.00 0.00 176.54 177.97 3nfu h GLU 210 N 0.02 0.71 -0.18 4.80 3.07 -1.91 -0.03 114.58 121.06 3nfu h GLU 210 Ca 0.38 -0.07 -0.12 0.00 -0.50 0.00 0.00 59.36 59.04 3nfu h GLU 210 Cb 0.61 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 3nfu h GLU 210 CO -0.75 0.53 -0.41 0.93 -1.40 0.00 0.00 179.01 177.91 3nfu h GLU 211 N 0.71 0.43 -0.05 2.33 5.08 -1.52 -1.08 114.58 120.47 3nfu h GLU 211 Ca 0.18 -0.21 -0.19 0.00 -1.00 0.00 0.00 59.36 58.14 3nfu h GLU 211 Cb 0.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 3nfu h GLU 211 CO -0.03 0.77 -0.79 0.93 -1.00 0.00 0.00 179.01 178.90 3nfu h GLU 212 N 0.35 0.38 -0.73 2.33 5.08 -0.79 -2.81 114.58 118.40 3nfu h GLU 212 Ca 0.03 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.04 3nfu h GLU 212 Cb 0.88 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.17 3nfu h GLU 212 CO 0.07 0.99 0.43 0.00 -1.00 0.00 0.00 179.01 179.51 3nfu h ALA 213 N 0.90 1.39 -0.97 3.43 0.00 -0.88 -2.60 119.26 120.54 3nfu h ALA 213 Ca -0.04 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3nfu h ALA 213 Cb 1.38 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 3nfu h ALA 213 CO 0.13 0.52 0.60 -0.44 0.00 0.00 0.00 179.25 180.06 3nfu h ASP 214 N 1.00 1.15 -0.65 0.00 3.32 -0.95 -0.83 116.42 119.45 3nfu h ASP 214 Ca 0.26 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 3nfu h ASP 214 Cb -0.03 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.20 3nfu h ASP 214 CO -0.05 0.86 0.33 0.00 -1.72 0.00 0.00 179.24 178.67 3nfu h ILE 216 N 0.95 1.17 -0.61 0.00 1.08 -0.99 0.18 117.51 119.29 3nfu h ILE 216 Ca 0.24 -0.47 0.06 0.00 -0.39 0.00 0.00 64.86 64.30 3nfu h ILE 216 Cb 0.08 0.78 -0.05 0.00 -3.07 0.00 0.00 36.82 34.56 3nfu h ILE 216 CO -0.03 0.18 0.31 0.03 -0.69 0.00 0.00 178.15 177.95 3nfu h ARG 217 N 0.48 0.57 -0.23 2.37 3.08 -0.75 0.10 114.38 120.01 3nfu h ARG 217 Ca 0.13 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.08 3nfu h ARG 217 Cb 0.11 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3nfu h ARG 217 CO -0.02 0.38 -0.14 0.00 -1.07 0.00 0.00 179.97 179.12 3nfu h ALA 218 N 1.33 1.34 -0.38 0.04 0.00 -0.80 -2.10 119.26 118.70 3nfu h ALA 218 Ca 0.28 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 3nfu h ALA 218 Cb 0.20 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3nfu h ALA 218 CO -0.19 0.45 -0.33 -0.07 0.00 0.00 0.00 179.25 179.10 3nfu h LEU 219 N 0.35 0.96 -0.96 0.00 3.38 0.41 -2.38 115.31 117.07 3nfu h LEU 219 Ca 0.07 -0.45 -0.05 0.00 0.09 0.00 0.00 57.88 57.53 3nfu h LEU 219 Cb 0.47 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3nfu h LEU 219 CO 0.03 1.21 0.16 -0.74 0.09 0.00 0.00 178.44 179.19 3nfu h HIS 220 N 0.71 0.95 -0.28 1.13 2.76 -0.63 -0.38 115.15 119.41 3nfu h HIS 220 Ca 0.07 -0.09 -0.08 0.00 -2.20 0.00 0.00 60.37 58.07 3nfu h HIS 220 Cb 0.92 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 29.60 3nfu h HIS 220 CO 0.06 0.77 -0.13 0.93 -1.30 0.00 0.00 177.93 178.26 3nfu h GLU 221 N 0.89 0.58 -0.60 5.26 4.39 -1.34 -1.67 114.58 122.08 3nfu h GLU 221 Ca 0.20 -0.25 -0.06 0.00 0.34 0.00 0.00 59.36 59.58 3nfu h GLU 221 Cb 0.29 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 3nfu h GLU 221 CO -0.00 0.82 0.12 0.00 -1.16 0.00 0.00 179.01 178.79 3nfu h ALA 222 N 0.74 1.10 -2.50 3.43 0.00 -1.34 -3.38 119.26 117.31 3nfu h ALA 222 Ca 0.06 -0.23 -0.59 0.00 0.00 0.00 0.00 54.91 54.15 3nfu h ALA 222 Cb 0.65 -0.24 -0.39 0.00 0.00 0.00 0.00 17.79 17.82 3nfu h ALA 222 CO 0.04 0.60 -0.91 -0.06 0.00 0.00 0.00 179.25 178.92 3nfu s PHE 223 N -5.21 1.20 0.26 0.00 0.08 -0.16 -5.01 117.98 109.13 3nfu s PHE 223 Ca -0.11 -2.22 0.36 0.00 0.12 0.00 0.00 56.93 55.08 3nfu s PHE 223 Cb 0.15 -1.08 1.76 0.00 -0.57 0.00 0.00 43.02 43.28 3nfu s PHE 223 CO 0.82 -0.81 2.09 -1.00 -0.10 0.00 0.00 175.22 176.23 3nfu h PRO 224 N 6.02 0.00 -0.02 0.24 0.13 -1.50 -2.66 132.00 134.21 3nfu h PRO 224 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 3nfu h PRO 224 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 3nfu h PRO 224 CO 0.37 0.00 -0.38 0.39 -0.23 0.00 0.00 178.00 178.15 3nfu n GLU 225 N -2.93 1.44 -2.32 0.86 -0.58 -1.26 -4.99 120.64 110.86 3nfu n GLU 225 Ca -0.01 -1.16 -0.37 0.00 -0.42 0.00 0.00 57.16 55.20 3nfu n GLU 225 Cb 0.18 -1.46 -0.02 0.00 -0.57 0.00 0.00 31.44 29.57 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 -2.33 3.04 -0.04 0.62 0.00 -1.00 -5.02 121.76 117.03 3nfu s ALA 226 Ca 0.20 0.90 -0.27 0.00 0.00 0.00 0.00 51.96 52.79 3nfu s ALA 226 Cb 0.18 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.90 3nfu s ALA 226 CO 0.51 -0.55 0.83 1.03 0.00 0.00 0.00 175.76 177.59 3nfu s ARG 227 N -2.55 4.49 0.06 0.00 0.52 -1.24 -4.95 118.95 115.28 3nfu s ARG 227 Ca 0.61 1.13 0.09 0.00 -0.52 0.00 0.00 55.73 57.04 3nfu s ARG 227 Cb -0.28 -3.46 -0.03 0.00 0.52 0.00 0.00 34.95 31.70 3nfu s ARG 227 CO 0.35 0.00 -0.24 -0.51 0.02 0.00 0.00 175.30 174.91 3nfu s LEU 228 N 0.93 2.20 0.03 2.53 1.43 -1.26 -1.88 118.68 122.66 3nfu s LEU 228 Ca 0.44 -0.60 -0.03 0.00 -1.03 0.00 0.00 54.13 52.91 3nfu s LEU 228 Cb -0.19 -1.15 -0.02 0.00 0.03 0.00 0.00 46.19 44.86 3nfu s LEU 228 CO 0.23 0.20 0.03 0.00 0.23 0.00 0.00 176.35 177.04 3nfu s ALA 229 N -0.87 0.07 -0.03 4.21 0.00 -1.15 0.43 121.76 124.42 3nfu s ALA 229 Ca 0.10 -0.64 0.04 0.00 0.00 0.00 0.00 51.96 51.47 3nfu s ALA 229 Cb -0.10 0.20 -0.00 0.00 0.00 0.00 0.00 23.12 23.22 3nfu s ALA 229 CO 0.03 -0.26 -0.14 -1.17 0.00 0.00 0.00 175.76 174.21 3nfu s LEU 230 N -1.95 1.91 -0.43 0.00 2.96 -1.25 -1.35 118.68 118.57 3nfu s LEU 230 Ca -0.08 -0.28 0.02 0.00 -0.22 0.00 0.00 54.13 53.57 3nfu s LEU 230 Cb -0.03 -0.80 0.13 0.00 0.50 0.00 0.00 46.19 45.98 3nfu s LEU 230 CO -0.04 0.14 0.21 -0.62 -1.32 0.00 0.00 176.35 174.72 3nfu s ASP 231 N -0.03 3.91 0.00 3.68 2.15 -0.25 -1.26 116.67 124.88 3nfu s ASP 231 Ca -0.01 -2.54 0.16 0.00 0.43 0.00 0.00 52.55 50.59 3nfu s ASP 231 Cb -0.09 -1.18 0.58 0.00 -0.30 0.00 0.00 42.92 41.93 3nfu s ASP 231 CO 0.01 -0.29 1.43 -0.81 -0.17 0.00 0.00 175.17 175.34 3nfu n PRO 232 N 3.68 1.64 -3.55 4.34 -0.04 -1.24 0.27 135.00 140.10 3nfu n PRO 232 Ca 0.06 -0.98 -0.26 0.00 -0.04 0.00 0.00 63.50 62.28 3nfu n PRO 232 Cb 0.35 -1.32 0.01 0.00 -0.04 0.00 0.00 33.50 32.51 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 0.23 -4.57 0.00 3.54 4.13 -1.23 -2.51 115.26 114.85 3nfu n ASN 233 Ca 0.13 -0.54 0.00 0.00 1.68 0.00 0.00 54.58 55.85 3nfu n ASN 233 Cb 0.27 -3.70 0.00 0.00 -1.54 0.00 0.00 39.78 34.81 3nfu n ASN 233 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3nfu n GLY 234 N -1.44 0.48 0.32 7.41 0.00 0.15 -4.93 105.19 107.19 3nfu n GLY 234 Ca -0.01 -0.19 0.04 0.00 0.00 0.00 0.00 46.02 45.86 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 1.68 -2.56 4.61 0.00 -1.58 -3.27 119.26 118.13 3nfu h ALA 235 Ca 0.00 -0.03 -0.55 0.00 0.00 0.00 0.00 54.91 54.33 3nfu h ALA 235 Cb 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3nfu h ALA 235 CO 0.00 0.28 -0.04 -1.58 0.00 0.00 0.00 179.25 177.91 3nfu s TRP 236 N -5.58 3.59 0.63 0.00 0.51 -1.25 -4.09 118.94 112.75 3nfu s TRP 236 Ca -0.09 1.12 -0.16 0.00 -2.12 0.00 0.00 56.10 54.85 3nfu s TRP 236 Cb 0.18 -2.42 -0.02 0.00 -0.81 0.00 0.00 33.47 30.40 3nfu s TRP 236 CO 0.75 0.38 1.13 0.15 -0.51 0.00 0.00 176.95 178.85 3nfu s LYS 237 N -2.06 2.93 0.22 4.98 1.02 -1.26 -4.10 119.74 121.47 3nfu s LYS 237 Ca 0.40 1.50 -0.10 0.00 0.02 0.00 0.00 55.97 57.79 3nfu s LYS 237 Cb -0.15 -1.96 0.32 0.00 -0.52 0.00 0.00 37.83 35.53 3nfu s LYS 237 CO 0.20 -1.17 1.66 1.25 -0.92 0.00 0.00 175.35 176.36 3nfu h LEU 238 N 0.40 -0.30 -0.52 3.17 5.85 -1.91 0.18 115.31 122.17 3nfu h LEU 238 Ca -0.48 0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.39 3nfu h LEU 238 Cb 1.26 0.29 -0.02 0.00 0.37 0.00 0.00 40.66 42.55 3nfu h LEU 238 CO 0.55 -0.13 0.25 0.44 -0.34 0.00 0.00 178.44 179.21 3nfu h ASP 239 N 0.11 0.68 -0.76 1.25 5.19 -2.00 -1.71 116.42 119.18 3nfu h ASP 239 Ca 0.34 -0.13 -0.01 0.00 -0.62 0.00 0.00 57.03 56.61 3nfu h ASP 239 Cb 0.56 -0.18 -0.04 0.00 0.18 0.00 0.00 39.33 39.86 3nfu h ASP 239 CO -0.56 0.62 0.42 -0.08 -3.12 0.00 0.00 179.24 176.51 3nfu h GLU 240 N 0.70 1.06 -0.85 3.56 4.57 -1.68 -1.44 114.58 120.50 3nfu h GLU 240 Ca 0.18 -0.12 -0.03 0.00 -1.18 0.00 0.00 59.36 58.21 3nfu h GLU 240 Cb 0.11 -0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 28.46 3nfu h GLU 240 CO -0.02 0.78 0.41 0.00 -1.18 0.00 0.00 179.01 179.00 3nfu h ALA 241 N 1.22 1.11 -0.24 2.92 0.00 -0.79 0.95 119.26 124.42 3nfu h ALA 241 Ca 0.27 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3nfu h ALA 241 Cb 0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3nfu h ALA 241 CO -0.04 0.67 0.06 0.28 0.00 0.00 0.00 179.25 180.22 3nfu h VAL 242 N 1.22 1.21 -0.68 0.00 2.07 -1.14 -1.19 116.25 117.73 3nfu h VAL 242 Ca 0.29 -0.66 -0.08 0.00 0.82 0.00 0.00 66.70 67.07 3nfu h VAL 242 Cb 0.12 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 3nfu h VAL 242 CO -0.04 0.21 0.12 -0.09 0.02 0.00 0.00 177.57 177.79 3nfu h ARG 243 N 0.22 1.12 -0.15 1.57 2.43 -1.00 -1.86 114.38 116.72 3nfu h ARG 243 Ca 0.08 -0.30 -0.21 0.00 -0.81 0.00 0.00 59.98 58.74 3nfu h ARG 243 Cb 0.26 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 29.69 3nfu h ARG 243 CO -0.00 1.02 -0.75 0.28 -1.51 0.00 0.00 179.97 179.01 3nfu h VAL 244 N 1.05 1.30 0.00 0.20 2.07 -0.82 -3.38 116.25 116.67 3nfu h VAL 244 Ca 0.21 -1.99 -0.16 0.00 0.82 0.00 0.00 66.70 65.58 3nfu h VAL 244 Cb 0.44 1.98 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 3nfu h VAL 244 CO 0.01 0.63 -1.74 0.18 0.02 0.00 0.00 177.57 176.67 3nfu n LEU 245 N -3.92 0.46 -0.23 2.57 4.77 -0.45 -4.34 117.00 115.85 3nfu n LEU 245 Ca -0.07 0.20 0.04 0.00 -0.03 0.00 0.00 56.01 56.15 3nfu n LEU 245 Cb 0.73 0.14 0.16 0.00 -2.33 0.00 0.00 43.42 42.12 3nfu n LEU 245 CO 0.52 0.16 0.95 -0.08 -1.33 0.00 0.00 177.39 177.61 3nfu h GLU 246 N 0.00 0.30 0.00 3.23 4.57 -1.51 -0.14 114.58 121.03 3nfu h GLU 246 Ca -0.20 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 57.94 3nfu h GLU 246 Cb 1.54 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 30.06 3nfu h GLU 246 CO 0.03 0.20 -0.09 -1.35 -1.18 0.00 0.00 179.01 176.61 3nfu h PRO 247 N 0.31 0.00 -0.19 0.92 0.11 -1.78 -3.08 132.00 128.29 3nfu h PRO 247 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 3nfu h PRO 247 Cb 0.61 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.72 3nfu h PRO 247 CO -0.45 0.09 0.00 0.44 -0.21 0.00 0.00 178.00 177.88 3nfu n ILE 248 N -3.62 0.98 0.17 4.15 -5.35 -0.83 -4.77 119.36 110.08 3nfu n ILE 248 Ca -0.02 -0.99 0.13 0.00 -0.27 0.00 0.00 62.75 61.60 3nfu n ILE 248 Cb 0.21 0.51 0.68 0.00 -1.74 0.00 0.00 39.64 39.31 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 1.13 0.00 0.00 6.28 2.10 -0.95 0.46 116.57 125.59 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 0.62 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.95 3nfu h LYS 249 CO 0.00 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 178.17 3nfu n HIS 250 N -4.40 0.00 0.59 0.07 8.25 -1.26 -3.01 115.22 115.46 3nfu n HIS 250 Ca 0.02 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.58 3nfu n HIS 250 Cb 0.29 -0.27 -0.11 0.00 1.12 0.00 0.00 29.99 31.02 3nfu n HIS 250 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3nfu n LEU 251 N -1.27 0.59 -4.79 2.41 4.77 0.14 -4.93 117.00 113.92 3nfu n LEU 251 Ca 0.15 -0.25 -0.36 0.00 -0.03 0.00 0.00 56.01 55.52 3nfu n LEU 251 Cb 0.24 -0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.23 3nfu n LEU 251 CO 0.23 0.13 -0.22 -0.76 -1.33 0.00 0.00 177.39 175.44 3nfu s LEU 252 N -3.67 4.07 0.11 2.23 1.43 -1.14 -4.30 118.68 117.40 3nfu s LEU 252 Ca 0.02 0.32 -0.03 0.00 -1.03 0.00 0.00 54.13 53.41 3nfu s LEU 252 Cb 0.15 -1.98 -0.17 0.00 0.03 0.00 0.00 46.19 44.22 3nfu s LEU 252 CO 0.87 0.37 1.24 0.28 0.23 0.00 0.00 176.35 179.34 3nfu h SER 253 N 5.25 0.43 -4.98 2.29 0.02 -0.32 -3.47 113.55 112.77 3nfu h SER 253 Ca -0.52 -0.40 -0.02 0.00 -0.84 0.00 0.00 61.79 60.01 3nfu h SER 253 Cb 1.21 -0.14 -0.14 0.00 0.14 0.00 0.00 62.40 63.48 3nfu h SER 253 CO 0.59 1.25 0.22 -0.72 -1.14 0.00 0.00 176.83 177.02 3nfu s TYR 254 N -2.96 -0.56 -0.20 3.45 -0.85 -1.22 -4.44 117.35 110.57 3nfu s TYR 254 Ca -0.04 0.49 -0.08 0.00 -0.52 0.00 0.00 57.07 56.91 3nfu s TYR 254 Cb 0.08 0.53 -0.04 0.00 0.38 0.00 0.00 41.96 42.91 3nfu s TYR 254 CO 0.87 -0.79 0.09 0.00 -1.52 0.00 0.00 175.55 174.20 3nfu s ALA 255 N -3.20 3.45 -0.22 9.51 0.00 -0.29 -3.86 121.76 127.15 3nfu s ALA 255 Ca -0.01 -0.82 -0.10 0.00 0.00 0.00 0.00 51.96 51.03 3nfu s ALA 255 Cb -0.01 -2.06 -0.05 0.00 0.00 0.00 0.00 23.12 21.01 3nfu s ALA 255 CO -0.08 0.02 0.15 -2.00 0.00 0.00 0.00 175.76 173.85 3nfu s GLU 256 N 0.67 4.12 -1.19 0.00 2.12 -0.39 -1.38 118.70 122.66 3nfu s GLU 256 Ca 0.05 -0.24 -0.22 0.00 0.36 0.00 0.00 54.97 54.92 3nfu s GLU 256 Cb -0.13 -3.49 0.03 0.00 0.26 0.00 0.00 34.13 30.80 3nfu s GLU 256 CO 0.01 0.16 0.41 -0.25 -0.54 0.00 0.00 175.26 175.05 3nfu n ASP 257 N 3.98 -2.22 0.23 -1.70 8.00 -0.33 -3.65 116.55 120.86 3nfu n ASP 257 Ca -0.15 -1.17 0.08 0.00 0.71 0.00 0.00 54.79 54.26 3nfu n ASP 257 Cb 0.52 -1.42 0.58 0.00 -0.02 0.00 0.00 41.12 40.78 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 -1.90 0.00 -4.07 -0.24 0.13 -1.86 0.42 132.00 124.48 3nfu h PRO 258 Ca -0.63 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.29 3nfu h PRO 258 Cb 1.26 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.29 3nfu h PRO 258 CO 0.52 0.20 -0.24 0.00 -0.23 0.00 0.00 178.00 178.24 3nfu n GLY 260 N -0.46 4.51 3.74 0.00 0.00 -1.24 -4.53 105.19 107.21 3nfu n GLY 260 Ca 0.01 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 3nfu n GLY 260 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3nfu s GLN 261 N 4.68 4.50 -0.26 1.61 -2.07 -1.26 -4.00 119.66 122.86 3nfu s GLN 261 Ca 0.00 1.90 -0.18 0.00 -1.82 0.00 0.00 55.36 55.26 3nfu s GLN 261 Cb 0.00 -3.22 0.07 0.00 -1.09 0.00 0.00 33.01 28.78 3nfu s GLN 261 CO 0.00 -0.06 0.67 -1.83 -1.32 0.00 0.00 175.29 172.74 3nfu s GLU 262 N -0.51 0.71 -1.26 9.60 -1.05 -0.83 -4.93 118.70 120.44 3nfu s GLU 262 Ca 0.52 1.10 -0.26 0.00 -0.15 0.00 0.00 54.97 56.18 3nfu s GLU 262 Cb -0.33 0.21 0.03 0.00 -0.44 0.00 0.00 34.13 33.59 3nfu s GLU 262 CO 0.38 -0.13 0.59 0.41 0.95 0.00 0.00 175.26 177.46 3nfu n GLY 263 N 3.79 -0.73 1.04 -3.83 0.00 -1.26 -1.54 105.19 102.66 3nfu n GLY 263 Ca -0.18 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.10 2.91 3.80 -0.02 0.00 -1.26 -5.03 105.19 103.49 3nfu n GLY 264 Ca -0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.24 3.83 0.72 1.61 0.08 -0.59 -5.08 117.98 116.30 3nfu s PHE 265 Ca 0.00 1.37 -0.11 0.00 0.12 0.00 0.00 56.93 58.31 3nfu s PHE 265 Cb 0.00 -2.59 0.02 0.00 -0.57 0.00 0.00 43.02 39.88 3nfu s PHE 265 CO 0.00 0.55 1.10 -1.54 -0.10 0.00 0.00 175.22 175.22 3nfu s SER 266 N -1.03 5.33 0.41 1.36 1.04 -1.26 -1.96 113.70 117.59 3nfu s SER 266 Ca 0.31 1.15 0.11 0.00 0.48 0.00 0.00 55.95 58.00 3nfu s SER 266 Cb -0.20 -1.94 0.93 0.00 0.10 0.00 0.00 66.02 64.91 3nfu s SER 266 CO 0.21 -1.42 1.99 1.23 0.98 0.00 0.00 173.24 176.24 3nfu h GLY 267 N -0.71 0.66 1.02 7.32 0.00 -1.92 -1.81 103.07 107.63 3nfu h GLY 267 Ca -0.45 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 46.62 3nfu h GLY 267 CO 0.63 0.15 0.20 3.21 0.00 0.00 0.00 176.54 180.73 3nfu h ARG 268 N 0.51 0.99 -0.12 4.80 3.08 -1.90 -0.60 114.38 121.14 3nfu h ARG 268 Ca 0.26 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 3nfu h ARG 268 Cb 0.35 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 3nfu h ARG 268 CO -0.07 0.87 0.01 0.93 -1.07 0.00 0.00 179.97 180.64 3nfu h GLU 269 N 0.91 0.20 -0.55 0.04 5.08 -1.78 -1.79 114.58 116.70 3nfu h GLU 269 Ca 0.20 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.39 3nfu h GLU 269 Cb 0.30 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3nfu h GLU 269 CO -0.01 0.41 -0.10 1.79 -1.00 0.00 0.00 179.01 180.10 3nfu h THR 270 N -0.04 1.27 -0.11 1.13 1.35 -1.35 -2.42 112.91 112.73 3nfu h THR 270 Ca 0.03 -1.26 -0.11 0.00 -0.55 0.00 0.00 66.41 64.53 3nfu h THR 270 Cb 0.31 0.95 -0.01 0.00 -1.73 0.00 0.00 68.15 67.67 3nfu h THR 270 CO 0.00 0.45 -0.40 0.24 -0.25 0.00 0.00 175.52 175.56 3nfu h MET 271 N 0.92 0.25 -0.83 4.72 2.86 -1.15 0.33 114.93 122.03 3nfu h MET 271 Ca 0.14 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3nfu h MET 271 Cb 0.67 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.29 3nfu h MET 271 CO 0.05 0.62 0.47 0.00 1.06 0.00 0.00 176.91 179.11 3nfu h ALA 272 N 1.37 1.06 -0.18 6.32 0.00 -1.27 -1.83 119.26 124.74 3nfu h ALA 272 Ca 0.02 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 3nfu h ALA 272 Cb 0.81 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3nfu h ALA 272 CO 0.06 0.56 -0.49 1.49 0.00 0.00 0.00 179.25 180.88 3nfu h GLU 273 N 1.15 0.47 -0.29 0.00 4.57 -0.80 -2.50 114.58 117.18 3nfu h GLU 273 Ca 0.29 -0.27 0.04 0.00 -1.18 0.00 0.00 59.36 58.25 3nfu h GLU 273 Cb 0.01 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.58 3nfu h GLU 273 CO -0.05 0.85 0.06 0.35 -1.18 0.00 0.00 179.01 179.04 3nfu h PHE 274 N 0.37 0.10 -0.54 0.92 3.57 -0.16 -2.05 116.94 119.16 3nfu h PHE 274 Ca 0.02 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.57 3nfu h PHE 274 Cb 0.99 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.69 3nfu h PHE 274 CO 0.03 0.03 0.32 0.87 -2.23 0.00 0.00 178.31 177.33 3nfu h LYS 275 N 0.17 0.61 -0.16 1.11 1.57 -1.15 -1.73 116.57 116.99 3nfu h LYS 275 Ca 0.14 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 3nfu h LYS 275 Cb 0.14 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3nfu h LYS 275 CO -0.18 0.40 -0.16 0.87 -0.57 0.00 0.00 179.45 179.82 3nfu h LYS 276 N 0.62 0.26 0.00 3.15 1.57 -1.25 0.23 116.57 121.16 3nfu h LYS 276 Ca 0.22 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3nfu h LYS 276 Cb 0.05 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3nfu h LYS 276 CO -0.11 0.42 -0.96 0.00 -0.57 0.00 0.00 179.45 178.23 3nfu h ARG 277 N 0.25 0.00 0.00 3.15 3.08 -0.99 -3.40 114.38 116.46 3nfu h ARG 277 Ca 0.05 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 3nfu h ARG 277 Cb 0.43 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 3nfu h ARG 277 CO 0.03 0.00 -1.24 0.25 -1.07 0.00 0.00 179.97 177.94 3nfu n THR 278 N -2.63 0.19 -0.96 2.04 -2.24 -0.68 -5.01 114.28 104.99 3nfu n THR 278 Ca 0.00 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 3nfu n THR 278 Cb 0.54 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 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 2.62 0.36 3.75 3.38 0.00 0.06 -5.01 105.19 110.35 3nfu n GLY 279 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 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 4.48 0.53 0.99 2.96 -1.26 -5.05 118.68 121.33 3nfu s LEU 280 Ca 0.00 1.54 -0.22 0.00 -0.22 0.00 0.00 54.13 55.23 3nfu s LEU 280 Cb 0.00 -3.30 -0.05 0.00 0.50 0.00 0.00 46.19 43.33 3nfu s LEU 280 CO 0.00 0.03 1.29 -2.84 -1.32 0.00 0.00 176.35 173.52 3nfu s PRO 281 N -0.23 3.28 0.16 0.98 0.02 -1.26 -4.65 135.00 133.29 3nfu s PRO 281 Ca 0.39 2.07 0.09 0.00 0.02 0.00 0.00 61.00 63.58 3nfu s PRO 281 Cb -0.21 -2.26 -0.04 0.00 0.02 0.00 0.00 34.50 32.00 3nfu s PRO 281 CO 0.25 -1.03 -0.14 0.95 -0.33 0.00 0.00 177.00 176.70 3nfu s THR 282 N -1.39 3.00 0.28 0.99 -4.23 -1.26 -1.14 115.64 111.88 3nfu s THR 282 Ca 0.70 -1.63 0.04 0.00 -1.18 0.00 0.00 61.69 59.63 3nfu s THR 282 Cb -0.36 -2.44 -0.06 0.00 1.34 0.00 0.00 72.50 70.98 3nfu s THR 282 CO 0.43 -0.03 0.01 0.00 -0.54 0.00 0.00 174.62 174.48 3nfu s ALA 283 N -1.50 2.16 -0.18 3.99 0.00 -0.48 -0.76 121.76 124.99 3nfu s ALA 283 Ca 0.22 -1.91 -0.23 0.00 0.00 0.00 0.00 51.96 50.03 3nfu s ALA 283 Cb -0.09 0.48 0.06 0.00 0.00 0.00 0.00 23.12 23.56 3nfu s ALA 283 CO 0.13 -0.22 0.62 -0.08 0.00 0.00 0.00 175.76 176.20 3nfu s THR 284 N -3.27 0.00 -0.16 0.00 -1.32 -0.91 -1.19 115.64 108.80 3nfu s THR 284 Ca 0.32 -0.03 0.16 0.00 -1.21 0.00 0.00 61.69 60.92 3nfu s THR 284 Cb 0.06 -0.88 0.32 0.00 -1.51 0.00 0.00 72.50 70.49 3nfu s THR 284 CO 0.12 -0.02 1.21 -0.46 -2.21 0.00 0.00 174.62 173.26 3nfu n ASN 285 N 2.21 2.72 0.00 8.08 6.94 -1.26 -1.82 115.26 132.13 3nfu n ASN 285 Ca -0.16 -2.91 0.00 0.00 -0.02 0.00 0.00 54.58 51.49 3nfu n ASN 285 Cb 0.56 -0.41 0.00 0.00 -2.36 0.00 0.00 39.78 37.57 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 0.00 -0.05 -3.83 2.81 -1.26 -4.86 117.12 108.90 3nfu n MET 286 Ca 0.15 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 56.09 3nfu n MET 286 Cb 0.65 -0.56 0.07 0.00 -0.71 0.00 0.00 33.22 32.67 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 -2.22 0.38 -3.03 2.02 -5.35 -1.26 -4.62 119.36 105.28 3nfu n ILE 287 Ca 0.00 -0.69 -0.18 0.00 -0.27 0.00 0.00 62.75 61.61 3nfu n ILE 287 Cb 0.23 0.93 -0.02 0.00 -1.74 0.00 0.00 39.64 39.03 3nfu n ILE 287 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3nfu n ALA 288 N 0.42 1.06 0.28 -1.28 0.00 -1.26 -4.58 120.51 115.15 3nfu n ALA 288 Ca 0.07 -2.69 0.04 0.00 0.00 0.00 0.00 53.44 50.86 3nfu n ALA 288 Cb 0.28 -1.00 0.05 0.00 0.00 0.00 0.00 19.45 18.78 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 1.36 0.15 -4.10 0.00 -2.24 -1.26 -4.78 114.28 103.40 3nfu n THR 289 Ca 0.17 -0.58 -0.16 0.00 -2.27 0.00 0.00 64.05 61.22 3nfu n THR 289 Cb 0.58 1.07 -0.04 0.00 -2.10 0.00 0.00 70.33 69.84 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 -0.76 1.07 0.29 3.42 1.47 -1.26 -4.78 116.67 116.12 3nfu s ASP 290 Ca 0.11 -1.55 0.07 0.00 1.18 0.00 0.00 52.55 52.37 3nfu s ASP 290 Cb 0.07 0.67 0.42 0.00 -0.34 0.00 0.00 42.92 43.75 3nfu s ASP 290 CO 0.11 -1.31 1.67 1.88 0.68 0.00 0.00 175.17 178.20 3nfu h TYR 291 N 2.08 0.21 -0.22 2.11 0.05 -1.98 -1.62 116.97 117.60 3nfu h TYR 291 Ca -0.28 -0.07 -0.09 0.00 0.05 0.00 0.00 58.73 58.35 3nfu h TYR 291 Cb 1.24 -0.04 -0.00 0.00 1.01 0.00 0.00 36.73 38.93 3nfu h TYR 291 CO 1.62 0.63 -0.21 -0.22 -1.05 0.00 0.00 178.16 178.93 3nfu h LYS 292 N 0.14 0.53 -0.76 4.88 1.63 -1.99 0.38 116.57 121.38 3nfu h LYS 292 Ca 0.01 -0.27 -0.04 0.00 -0.85 0.00 0.00 60.65 59.49 3nfu h LYS 292 Cb 0.90 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.51 3nfu h LYS 292 CO 0.07 0.86 0.32 1.96 -3.45 0.00 0.00 179.45 179.21 3nfu h GLN 293 N 0.21 1.12 -0.34 1.90 4.20 -1.86 -2.72 115.11 117.63 3nfu h GLN 293 Ca 0.04 -0.19 -0.08 0.00 0.06 0.00 0.00 58.65 58.47 3nfu h GLN 293 Cb 0.75 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 3nfu h GLN 293 CO 0.05 0.91 -0.14 1.25 -0.67 0.00 0.00 178.83 180.23 3nfu h LEU 294 N 1.09 0.59 -0.33 1.46 5.85 -1.09 0.42 115.31 123.31 3nfu h LEU 294 Ca 0.26 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.84 3nfu h LEU 294 Cb 0.19 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 3nfu h LEU 294 CO -0.02 0.75 0.13 -0.61 -0.34 0.00 0.00 178.44 178.34 3nfu h GLN 295 N 0.55 0.27 -0.13 1.25 4.15 -0.76 -0.60 115.11 119.84 3nfu h GLN 295 Ca 0.10 -0.02 -0.16 0.00 0.77 0.00 0.00 58.65 59.34 3nfu h GLN 295 Cb 0.55 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 3nfu h GLN 295 CO 0.03 0.18 -0.59 1.88 -1.93 0.00 0.00 178.83 178.40 3nfu h TYR 296 N 0.28 0.53 -0.69 3.99 0.05 -1.13 -1.66 116.97 118.34 3nfu h TYR 296 Ca 0.14 -0.20 0.01 0.00 0.05 0.00 0.00 58.73 58.73 3nfu h TYR 296 Cb 0.10 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 37.71 3nfu h TYR 296 CO -0.13 0.90 0.45 0.00 -1.05 0.00 0.00 178.16 178.33 3nfu h ALA 297 N 1.06 0.87 -0.40 3.88 0.00 -0.73 -1.61 119.26 122.34 3nfu h ALA 297 Ca -0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 3nfu h ALA 297 Cb 1.12 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3nfu h ALA 297 CO 0.10 0.30 -0.07 0.28 0.00 0.00 0.00 179.25 179.86 3nfu h VAL 298 N 0.93 1.27 -0.74 0.00 2.07 -1.00 0.48 116.25 119.26 3nfu h VAL 298 Ca 0.25 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.61 3nfu h VAL 298 Cb -0.10 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 3nfu h VAL 298 CO -0.05 0.38 0.39 -0.61 0.02 0.00 0.00 177.57 177.70 3nfu h GLN 299 N 0.56 1.04 -0.01 1.57 4.15 -1.11 -2.89 115.11 118.42 3nfu h GLN 299 Ca 0.10 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3nfu h GLN 299 Cb 0.58 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.07 3nfu h GLN 299 CO 0.03 0.77 -0.34 1.28 -1.93 0.00 0.00 178.83 178.64 3nfu n LEU 300 N -4.35 1.14 -3.57 -2.39 4.77 -0.62 -4.98 117.00 107.01 3nfu n LEU 300 Ca 0.07 -0.33 -0.27 0.00 -0.03 0.00 0.00 56.01 55.46 3nfu n LEU 300 Cb 0.11 -0.11 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 3nfu n LEU 300 CO 0.38 0.22 -0.04 0.59 -1.33 0.00 0.00 177.39 177.21 3nfu n ASN 301 N -0.66 -5.71 -0.04 -1.43 5.03 -0.09 -4.77 115.26 107.59 3nfu n ASN 301 Ca 0.11 -0.93 -0.12 0.00 0.87 0.00 0.00 54.58 54.51 3nfu n ASN 301 Cb 0.37 -3.83 -0.14 0.00 -1.02 0.00 0.00 39.78 35.15 3nfu n ASN 301 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 3nfu n SER 302 N -2.78 1.03 -3.89 6.41 7.64 -0.03 -4.46 113.62 117.53 3nfu n SER 302 Ca -0.09 0.27 -0.23 0.00 1.01 0.00 0.00 58.87 59.84 3nfu n SER 302 Cb 0.60 -0.05 -0.17 0.00 -1.01 0.00 0.00 64.21 63.58 3nfu n SER 302 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3nfu s VAL 303 N -2.57 0.71 -0.07 0.44 1.01 -1.26 -4.22 120.40 114.44 3nfu s VAL 303 Ca -0.11 -0.16 0.05 0.00 0.00 0.00 0.00 61.98 61.76 3nfu s VAL 303 Cb 0.07 -0.74 -0.24 0.00 0.00 0.00 0.00 36.38 35.47 3nfu s VAL 303 CO 0.80 0.28 0.56 0.47 0.00 0.00 0.00 175.10 177.21 3nfu n ASP 304 N 4.43 1.39 -3.80 3.32 8.00 -0.27 -4.78 116.55 124.84 3nfu n ASP 304 Ca -0.18 0.34 -0.30 0.00 0.71 0.00 0.00 54.79 55.36 3nfu n ASP 304 Cb 0.51 -0.40 -0.14 0.00 -0.02 0.00 0.00 41.12 41.06 3nfu n ASP 304 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3nfu s ILE 305 N -2.58 1.50 -0.11 0.53 1.01 0.06 -0.50 121.20 121.11 3nfu s ILE 305 Ca -0.12 -2.19 -0.30 0.00 0.00 0.00 0.00 60.65 58.05 3nfu s ILE 305 Cb 0.07 -2.09 -0.03 0.00 0.01 0.00 0.00 42.46 40.42 3nfu s ILE 305 CO 0.80 -0.76 1.39 -2.16 0.00 0.00 0.00 174.94 174.22 3nfu s PRO 306 N 0.83 4.23 -0.97 2.79 0.04 -1.25 -2.13 135.00 138.53 3nfu s PRO 306 Ca 0.14 1.86 -0.20 0.00 0.04 0.00 0.00 61.00 62.83 3nfu s PRO 306 Cb -0.21 -3.80 0.10 0.00 0.04 0.00 0.00 34.50 30.63 3nfu s PRO 306 CO -0.10 -0.72 1.26 -0.51 0.04 0.00 0.00 177.00 176.97 3nfu s LEU 307 N 3.46 4.46 -1.27 -3.56 1.43 -0.76 -2.58 118.68 119.85 3nfu s LEU 307 Ca 0.61 -1.83 -0.08 0.00 -1.03 0.00 0.00 54.13 51.80 3nfu s LEU 307 Cb -0.26 -2.47 0.17 0.00 0.03 0.00 0.00 46.19 43.66 3nfu s LEU 307 CO 0.21 -1.23 1.98 0.00 0.23 0.00 0.00 176.35 177.54 3nfu n ALA 308 N 7.44 5.73 -1.68 4.21 0.00 -0.31 -3.73 120.51 132.17 3nfu n ALA 308 Ca 0.28 -4.30 -0.54 0.00 0.00 0.00 0.00 53.44 48.88 3nfu n ALA 308 Cb 0.50 -2.87 -0.06 0.00 0.00 0.00 0.00 19.45 17.01 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 3.08 2.70 0.31 0.00 -0.08 -1.26 -4.71 116.55 116.59 3nfu n ASP 309 Ca 0.44 0.99 0.19 0.00 -1.51 0.00 0.00 54.79 54.91 3nfu n ASP 309 Cb 0.33 -1.22 1.02 0.00 2.34 0.00 0.00 41.12 43.59 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 0.30 -0.01 0.00 3.86 -1.89 -1.19 115.15 116.23 3nfu h HIS 311 Ca -0.00 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 3nfu h HIS 311 Cb 0.14 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.53 3nfu h HIS 311 CO 0.00 0.52 -0.37 1.97 0.86 0.00 0.00 177.93 180.91 3nfu n PHE 312 N -4.15 0.00 0.37 2.45 1.16 -0.96 -3.77 117.46 112.56 3nfu n PHE 312 Ca -0.01 0.00 0.10 0.00 -1.87 0.00 0.00 57.45 55.67 3nfu n PHE 312 Cb 0.37 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.10 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 -0.60 0.00 -0.20 2.97 7.02 -0.87 -4.83 117.44 120.95 3nfu n TRP 313 Ca 0.04 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.54 3nfu n TRP 313 Cb 0.23 -0.29 -0.01 0.00 -2.42 0.00 0.00 31.31 28.82 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 -1.93 -0.14 -0.04 -0.99 -2.24 -0.45 -3.92 114.28 104.56 3nfu n THR 314 Ca -0.01 0.13 -0.12 0.00 -2.27 0.00 0.00 64.05 61.79 3nfu n THR 314 Cb 0.45 -0.20 -0.07 0.00 -2.10 0.00 0.00 70.33 68.41 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 -0.18 0.22 -0.50 -0.78 0.00 -1.91 -0.17 114.93 111.62 3nfu h MET 315 Ca -0.03 -0.07 -0.06 0.00 0.00 0.00 0.00 59.70 59.55 3nfu h MET 315 Cb 0.19 -0.02 -0.02 0.00 0.00 0.00 0.00 31.60 31.74 3nfu h MET 315 CO 0.01 0.47 0.08 1.96 0.00 0.00 0.00 176.91 179.43 3nfu h GLN 316 N -0.05 0.78 -0.11 1.72 4.20 -1.93 -2.84 115.11 116.88 3nfu h GLN 316 Ca 0.04 -0.17 -0.20 0.00 0.06 0.00 0.00 58.65 58.38 3nfu h GLN 316 Cb 0.37 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.04 3nfu h GLN 316 CO 0.01 0.73 -0.74 0.78 -0.67 0.00 0.00 178.83 178.94 3nfu h GLY 317 N 0.95 0.62 1.05 3.46 0.00 -1.65 -1.61 103.07 105.89 3nfu h GLY 317 Ca 0.16 -0.86 -0.05 0.00 0.00 0.00 0.00 47.33 46.57 3nfu h GLY 317 CO 0.01 0.77 0.30 0.00 0.00 0.00 0.00 176.54 177.61 3nfu h ALA 318 N 0.80 1.03 -0.58 3.60 0.00 -0.94 -1.69 119.26 121.47 3nfu h ALA 318 Ca -0.04 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 3nfu h ALA 318 Cb 1.34 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3nfu h ALA 318 CO 0.14 0.67 0.02 0.28 0.00 0.00 0.00 179.25 180.36 3nfu h VAL 319 N 1.15 1.26 -0.82 0.00 2.07 -1.47 -2.00 116.25 116.45 3nfu h VAL 319 Ca 0.26 -1.10 0.04 0.00 0.82 0.00 0.00 66.70 66.72 3nfu h VAL 319 Cb 0.24 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 3nfu h VAL 319 CO -0.02 0.40 0.52 0.00 0.02 0.00 0.00 177.57 178.49 3nfu h ALA 320 N 0.98 1.10 -0.58 1.67 0.00 -0.90 0.12 119.26 121.65 3nfu h ALA 320 Ca 0.17 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3nfu h ALA 320 Cb 0.52 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3nfu h ALA 320 CO 0.03 0.31 0.25 0.28 0.00 0.00 0.00 179.25 180.11 3nfu h VAL 321 N 0.99 1.22 -0.78 0.00 2.07 -1.23 -1.19 116.25 117.33 3nfu h VAL 321 Ca 0.34 -0.67 0.06 0.00 0.82 0.00 0.00 66.70 67.25 3nfu h VAL 321 Cb 0.06 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 30.36 3nfu h VAL 321 CO -0.13 0.26 0.46 1.23 0.02 0.00 0.00 177.57 179.41 3nfu h GLY 322 N 0.79 1.16 0.95 2.17 0.00 -0.51 0.58 103.07 108.21 3nfu h GLY 322 Ca 0.19 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 3nfu h GLY 322 CO -0.02 0.22 0.17 0.83 0.00 0.00 0.00 176.54 177.73 3nfu h GLU 323 N 0.85 0.46 -0.58 4.80 5.08 -0.47 -1.70 114.58 123.01 3nfu h GLU 323 Ca 0.34 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.60 3nfu h GLU 323 Cb 0.18 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3nfu h GLU 323 CO -0.18 0.41 0.19 1.25 -1.00 0.00 0.00 179.01 179.68 3nfu h LEU 324 N 0.40 0.84 -0.74 1.33 5.85 -0.41 -2.25 115.31 120.33 3nfu h LEU 324 Ca 0.11 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.66 3nfu h LEU 324 Cb 0.09 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.86 3nfu h LEU 324 CO -0.02 0.82 0.46 0.00 -0.34 0.00 0.00 178.44 179.37 3nfu h ASN 326 N 0.90 0.00 1.18 0.00 -1.24 -1.06 -1.81 115.58 113.55 3nfu h ASN 326 Ca 0.30 0.00 -0.13 0.00 0.71 0.00 0.00 56.30 57.18 3nfu h ASN 326 Cb 0.04 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.07 3nfu h ASN 326 CO -0.12 0.31 -0.86 -0.33 -1.29 0.00 0.00 177.43 175.14 3nfu h GLU 327 N 0.00 0.00 -0.13 6.67 4.39 -0.80 -3.40 114.58 121.32 3nfu h GLU 327 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3nfu h GLU 327 Cb 0.57 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 3nfu h GLU 327 CO 0.04 0.42 0.00 0.91 -1.16 0.00 0.00 179.01 179.22 3nfu n TRP 328 N -3.09 0.33 -1.71 4.33 7.02 -0.23 -4.98 117.44 119.11 3nfu n TRP 328 Ca -0.02 -0.78 -0.07 0.00 -1.02 0.00 0.00 57.50 55.60 3nfu n TRP 328 Cb 0.77 -0.16 -0.02 0.00 -2.42 0.00 0.00 31.31 29.49 3nfu n TRP 328 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3nfu n GLY 329 N -0.68 0.47 3.87 6.99 0.00 -1.07 -5.01 105.19 109.76 3nfu n GLY 329 Ca 0.13 -0.65 -0.24 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.55 2.36 -0.12 1.61 -1.94 -0.70 -5.03 119.30 111.93 3nfu s MET 330 Ca 0.00 -1.79 -0.00 0.00 -1.71 0.00 0.00 55.69 52.19 3nfu s MET 330 Cb 0.00 -2.21 0.02 0.00 2.01 0.00 0.00 34.83 34.65 3nfu s MET 330 CO 0.00 -0.39 -0.09 0.99 -0.01 0.00 0.00 175.02 175.52 3nfu s THR 331 N -2.62 1.15 0.25 2.05 2.01 0.34 -4.38 115.64 114.43 3nfu s THR 331 Ca 0.42 -0.37 -0.30 0.00 0.31 0.00 0.00 61.69 61.75 3nfu s THR 331 Cb -0.02 -1.13 -0.09 0.00 0.01 0.00 0.00 72.50 71.27 3nfu s THR 331 CO 0.25 0.39 1.25 0.86 -0.69 0.00 0.00 174.62 176.68 3nfu s TRP 332 N 1.60 3.28 0.23 4.92 -0.00 -1.26 -3.94 118.94 123.78 3nfu s TRP 332 Ca 0.04 1.40 0.04 0.00 -0.00 0.00 0.00 56.10 57.58 3nfu s TRP 332 Cb -0.13 -3.54 -0.01 0.00 -0.00 0.00 0.00 33.47 29.79 3nfu s TRP 332 CO -0.08 -1.52 0.13 0.41 -0.00 0.00 0.00 176.95 175.89 3nfu n GLY 333 N 1.63 3.46 2.93 5.86 0.00 -1.07 -1.75 105.19 116.26 3nfu n GLY 333 Ca 0.03 -1.93 -0.14 0.00 0.00 0.00 0.00 46.02 43.97 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 -2.52 0.12 0.58 1.61 0.15 -1.26 -1.16 113.70 111.22 3nfu s SER 334 Ca 0.18 0.37 -0.11 0.00 0.70 0.00 0.00 55.95 57.10 3nfu s SER 334 Cb 0.01 0.29 -0.04 0.00 -1.71 0.00 0.00 66.02 64.56 3nfu s SER 334 CO 0.13 -0.18 0.98 -2.28 1.20 0.00 0.00 173.24 173.08 3nfu s HIS 335 N 1.58 3.59 0.04 3.44 5.65 -1.24 -1.24 115.29 127.10 3nfu s HIS 335 Ca -0.05 1.23 0.02 0.00 0.25 0.00 0.00 55.06 56.50 3nfu s HIS 335 Cb -0.12 -2.65 -0.02 0.00 -1.18 0.00 0.00 32.58 28.61 3nfu s HIS 335 CO -0.07 -0.57 -0.06 0.45 -0.65 0.00 0.00 174.74 173.85 3nfu s SER 336 N -4.00 0.67 0.29 9.88 0.15 -1.26 -4.40 113.70 115.04 3nfu s SER 336 Ca 0.54 -0.53 0.11 0.00 0.70 0.00 0.00 55.95 56.77 3nfu s SER 336 Cb -0.11 0.05 -0.05 0.00 -1.71 0.00 0.00 66.02 64.20 3nfu s SER 336 CO 0.49 -0.23 -0.15 0.20 1.20 0.00 0.00 173.24 174.75 3nfu s ASN 337 N -1.52 3.72 -0.07 5.45 0.02 -1.26 -4.93 114.94 116.34 3nfu s ASN 337 Ca -0.12 -1.03 -0.39 0.00 -1.02 0.00 0.00 52.86 50.30 3nfu s ASN 337 Cb -0.10 -0.36 -0.17 0.00 0.02 0.00 0.00 41.25 40.63 3nfu s ASN 337 CO -0.00 -0.02 1.40 0.59 0.02 0.00 0.00 177.10 179.09 3nfu n ASN 338 N -0.69 1.43 -3.97 -1.22 4.13 -1.26 -4.60 115.26 109.08 3nfu n ASN 338 Ca -0.05 1.12 -0.09 0.00 1.68 0.00 0.00 54.58 57.24 3nfu n ASN 338 Cb 0.61 -1.09 -0.08 0.00 -1.54 0.00 0.00 39.78 37.68 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 1.33 0.41 0.00 3.10 -3.43 -1.26 -4.94 115.29 110.50 3nfu s HIS 339 Ca 0.91 -0.80 0.00 0.00 -0.80 0.00 0.00 55.06 54.37 3nfu s HIS 339 Cb -1.10 -0.13 0.00 0.00 -1.43 0.00 0.00 32.58 29.92 3nfu s HIS 339 CO 0.57 -0.64 0.00 1.19 -2.00 0.00 0.00 174.74 173.86 3nfu n PHE 340 N -0.15 -2.10 0.84 0.38 3.72 -1.26 -4.85 117.46 114.03 3nfu n PHE 340 Ca -0.09 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.44 3nfu n PHE 340 Cb 0.63 0.00 0.37 0.00 -0.94 0.00 0.00 39.48 39.54 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 -1.77 0.45 -0.04 4.37 5.75 -1.26 -2.90 116.55 121.15 3nfu n ASP 341 Ca 0.00 0.20 -0.13 0.00 -0.01 0.00 0.00 54.79 54.85 3nfu n ASP 341 Cb 0.00 -0.17 -0.09 0.00 -1.03 0.00 0.00 41.12 39.83 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 0.00 1.38 -0.58 2.12 2.04 -1.96 -2.69 117.51 117.82 3nfu h ILE 342 Ca 0.00 -1.31 -0.01 0.00 1.00 0.00 0.00 64.86 64.54 3nfu h ILE 342 Cb 0.60 2.07 -0.03 0.00 -0.74 0.00 0.00 36.82 38.72 3nfu h ILE 342 CO 0.00 0.37 0.33 0.28 0.00 0.00 0.00 178.15 179.13 3nfu h SER 343 N -0.23 0.70 -0.69 1.72 0.02 -1.84 -1.03 113.55 112.20 3nfu h SER 343 Ca 0.01 -0.04 0.08 0.00 -0.84 0.00 0.00 61.79 60.99 3nfu h SER 343 Cb 0.64 -0.18 -0.06 0.00 0.14 0.00 0.00 62.40 62.94 3nfu h SER 343 CO 0.02 0.56 0.36 0.25 -1.14 0.00 0.00 176.83 176.88 3nfu h LEU 344 N 0.80 0.49 -0.32 5.07 5.85 -1.51 0.01 115.31 125.70 3nfu h LEU 344 Ca 0.21 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.88 3nfu h LEU 344 Cb 0.00 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3nfu h LEU 344 CO -0.04 0.30 -0.16 0.00 -0.34 0.00 0.00 178.44 178.20 3nfu h ALA 345 N 1.40 0.45 0.10 1.25 0.00 -1.02 -2.80 119.26 118.64 3nfu h ALA 345 Ca 0.33 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3nfu h ALA 345 Cb 0.29 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3nfu h ALA 345 CO -0.23 0.36 -0.24 0.52 0.00 0.00 0.00 179.25 179.66 3nfu h MET 346 N 0.44 -0.42 -0.10 0.00 2.86 -0.60 -1.90 114.93 115.21 3nfu h MET 346 Ca 0.07 0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.70 3nfu h MET 346 Cb 0.69 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.44 3nfu h MET 346 CO 0.05 -0.28 -0.13 0.00 1.06 0.00 0.00 176.91 177.61 3nfu h MET 347 N -0.43 0.15 0.00 1.72 -0.00 -1.07 -1.53 114.93 113.77 3nfu h MET 347 Ca 0.03 -0.03 -0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3nfu h MET 347 Cb 0.46 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 32.04 3nfu h MET 347 CO -0.15 0.29 -0.00 1.15 -0.00 0.00 0.00 176.91 178.20 3nfu h THR 348 N 0.15 1.20 -0.71 -0.10 2.02 -1.22 -2.15 112.91 112.11 3nfu h THR 348 Ca 0.03 -0.61 -0.02 0.00 0.77 0.00 0.00 66.41 66.59 3nfu h THR 348 Cb 0.32 1.62 -0.03 0.00 -1.74 0.00 0.00 68.15 68.32 3nfu h THR 348 CO 0.02 0.16 0.36 0.45 0.37 0.00 0.00 175.52 176.87 3nfu h HIS 349 N -0.26 0.98 0.17 3.16 3.86 -0.83 -1.57 115.15 120.65 3nfu h HIS 349 Ca -0.00 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 3nfu h HIS 349 Cb 0.26 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.42 3nfu h HIS 349 CO 0.01 0.70 -0.08 0.28 0.86 0.00 0.00 177.93 179.70 3nfu h VAL 350 N 0.99 0.94 -0.46 2.45 2.07 -1.26 -3.03 116.25 117.95 3nfu h VAL 350 Ca 0.25 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 3nfu h VAL 350 Cb 0.07 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3nfu h VAL 350 CO -0.04 0.12 0.25 0.00 0.02 0.00 0.00 177.57 177.93 3nfu h ALA 351 N 0.30 1.59 -0.09 1.67 0.00 -1.37 -2.22 119.26 119.14 3nfu h ALA 351 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3nfu h ALA 351 Cb 0.37 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3nfu h ALA 351 CO 0.04 0.35 0.06 0.00 0.00 0.00 0.00 179.25 179.69 3nfu h ALA 352 N 1.65 1.93 -0.02 0.00 0.00 -1.17 -2.32 119.26 119.33 3nfu h ALA 352 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3nfu h ALA 352 Cb 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3nfu h ALA 352 CO -0.03 0.06 -0.05 0.00 0.00 0.00 0.00 179.25 179.23 3nfu n ALA 353 N -2.53 2.63 -2.69 0.00 0.00 -0.85 -0.22 120.51 116.85 3nfu n ALA 353 Ca -0.02 -0.57 -0.42 0.00 0.00 0.00 0.00 53.44 52.43 3nfu n ALA 353 Cb 0.09 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 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 1.78 3.17 3.27 0.00 0.04 -1.26 -4.77 135.00 137.23 3nfu s PRO 355 Ca 0.49 0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.85 3nfu s PRO 355 Cb -0.19 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.17 3nfu s PRO 355 CO 0.20 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 176.99 3nfu n GLY 356 N -2.67 -0.13 3.53 0.56 0.00 -1.26 -4.70 105.19 100.52 3nfu n GLY 356 Ca 0.05 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 3nfu n GLY 356 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3nfu s GLU 357 N 0.00 3.41 0.25 1.61 2.56 -1.26 -5.06 118.70 120.21 3nfu s GLU 357 Ca 0.00 -0.47 0.08 0.00 0.00 0.00 0.00 54.97 54.58 3nfu s GLU 357 Cb 0.00 -3.86 -0.04 0.00 2.00 0.00 0.00 34.13 32.23 3nfu s GLU 357 CO 0.00 -0.67 0.08 0.96 -0.56 0.00 0.00 175.26 175.07 3nfu s ILE 358 N 2.16 3.92 0.41 -3.70 -4.36 -1.26 -4.47 121.20 113.90 3nfu s ILE 358 Ca 0.14 -1.64 0.01 0.00 -0.26 0.00 0.00 60.65 58.90 3nfu s ILE 358 Cb -0.16 -3.09 -0.01 0.00 1.25 0.00 0.00 42.46 40.44 3nfu s ILE 358 CO 0.13 -0.34 0.62 0.28 0.24 0.00 0.00 174.94 175.87 3nfu s THR 359 N -2.18 4.23 0.28 8.37 -1.32 -0.71 -4.99 115.64 119.31 3nfu s THR 359 Ca 0.32 -0.56 -0.30 0.00 -1.21 0.00 0.00 61.69 59.94 3nfu s THR 359 Cb -0.07 -3.55 -0.12 0.00 -1.51 0.00 0.00 72.50 67.25 3nfu s THR 359 CO 0.22 -0.35 1.47 0.00 -2.21 0.00 0.00 174.62 173.75 3nfu n ALA 360 N -1.96 1.78 -1.79 11.08 0.00 -1.26 -4.75 120.51 123.60 3nfu n ALA 360 Ca -0.00 0.39 -0.35 0.00 0.00 0.00 0.00 53.44 53.48 3nfu n ALA 360 Cb 0.57 -2.36 -0.04 0.00 0.00 0.00 0.00 19.45 17.63 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 -0.22 3.80 0.29 0.00 -4.36 -0.41 -4.62 121.20 115.68 3nfu s ILE 361 Ca 0.64 1.21 -0.29 0.00 -0.26 0.00 0.00 60.65 61.95 3nfu s ILE 361 Cb -0.57 -3.54 -0.10 0.00 1.25 0.00 0.00 42.46 39.51 3nfu s ILE 361 CO 0.51 -0.16 1.11 -1.81 0.24 0.00 0.00 174.94 174.84 3nfu s ASP 362 N -1.84 7.19 -0.08 4.36 1.11 -0.37 -1.45 116.67 125.58 3nfu s ASP 362 Ca 0.64 2.29 -0.10 0.00 0.18 0.00 0.00 52.55 55.56 3nfu s ASP 362 Cb -0.18 -2.63 0.02 0.00 1.07 0.00 0.00 42.92 41.21 3nfu s ASP 362 CO 0.22 -0.20 0.26 0.28 1.18 0.00 0.00 175.17 176.91 3nfu s THR 363 N -1.19 0.02 -2.09 -1.27 -1.32 -1.26 -4.46 115.64 104.06 3nfu s THR 363 Ca 0.46 -0.13 0.16 0.00 -1.21 0.00 0.00 61.69 60.97 3nfu s THR 363 Cb -0.32 -0.41 0.43 0.00 -1.51 0.00 0.00 72.50 70.69 3nfu s THR 363 CO 0.41 -0.07 1.39 1.41 -2.21 0.00 0.00 174.62 175.55 3nfu n HIS 364 N 2.58 0.55 -0.16 9.09 8.25 -1.26 -4.25 115.22 130.02 3nfu n HIS 364 Ca -0.15 -0.28 0.02 0.00 -0.26 0.00 0.00 57.72 57.06 3nfu n HIS 364 Cb 0.58 0.00 0.31 0.00 1.12 0.00 0.00 29.99 31.99 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 2.83 0.81 -0.78 4.41 2.91 -1.93 -1.06 115.95 123.14 3nfu h TRP 365 Ca 0.00 0.02 0.21 0.00 1.13 0.00 0.00 58.89 60.25 3nfu h TRP 365 Cb 0.64 -0.27 -0.04 0.00 -0.51 0.00 0.00 29.16 28.98 3nfu h TRP 365 CO 0.28 0.50 0.55 -0.84 -1.03 0.00 0.00 178.44 177.90 3nfu h ILE 366 N 0.87 0.64 0.00 2.65 3.07 -1.97 0.30 117.51 123.06 3nfu h ILE 366 Ca 0.25 -0.02 0.00 0.00 1.55 0.00 0.00 64.86 66.64 3nfu h ILE 366 Cb -0.05 0.56 0.00 0.00 -0.27 0.00 0.00 36.82 37.06 3nfu h ILE 366 CO -0.06 0.01 -0.34 -0.50 -1.05 0.00 0.00 178.15 176.22 3nfu h TRP 367 N 0.07 0.00 0.00 0.16 4.06 -1.55 -3.34 115.95 115.34 3nfu h TRP 367 Ca 0.37 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.32 3nfu h TRP 367 Cb 1.39 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.55 3nfu h TRP 367 CO -0.00 0.00 -0.73 1.04 -3.56 0.00 0.00 178.44 175.19 3nfu n GLN 368 N -2.89 2.77 -1.69 0.49 3.00 -0.14 -4.72 117.38 114.20 3nfu n GLN 368 Ca 0.03 -0.02 -0.44 0.00 -0.01 0.00 0.00 57.00 56.56 3nfu n GLN 368 Cb 0.53 -1.06 -0.04 0.00 0.00 0.00 0.00 30.24 29.67 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 -1.39 3.57 0.00 1.08 2.03 0.86 -1.49 116.55 121.22 3nfu n ASP 369 Ca 0.01 1.07 0.00 0.00 0.52 0.00 0.00 54.79 56.39 3nfu n ASP 369 Cb 0.19 -1.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.09 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 3.72 1.44 3.94 0.27 0.00 -1.26 -5.05 105.19 108.25 3nfu n GLY 370 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.06 3.44 0.09 1.61 -0.21 -0.55 -5.13 119.66 118.86 3nfu s GLN 371 Ca 0.00 -0.55 -0.25 0.00 0.02 0.00 0.00 55.36 54.58 3nfu s GLN 371 Cb 0.00 -2.99 0.07 0.00 1.00 0.00 0.00 33.01 31.09 3nfu s GLN 371 CO 0.00 0.55 0.62 -0.98 -2.12 0.00 0.00 175.29 173.36 3nfu s ARG 372 N -3.01 1.21 0.00 2.91 1.70 -1.26 -4.89 118.95 115.61 3nfu s ARG 372 Ca 0.35 -0.25 0.00 0.00 -0.47 0.00 0.00 55.73 55.36 3nfu s ARG 372 Cb -0.12 0.56 0.00 0.00 -0.57 0.00 0.00 34.95 34.82 3nfu s ARG 372 CO 0.28 -0.49 0.20 0.44 -1.08 0.00 0.00 175.30 174.66 3nfu n ILE 373 N 0.02 0.00 -3.53 4.99 -5.35 -1.26 -4.76 119.36 109.47 3nfu n ILE 373 Ca -0.18 -0.26 -0.21 0.00 -0.27 0.00 0.00 62.75 61.83 3nfu n ILE 373 Cb 0.63 1.37 -0.03 0.00 -1.74 0.00 0.00 39.64 39.87 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 -0.12 2.62 0.06 7.28 -4.23 -1.26 -0.96 115.64 119.03 3nfu s THR 374 Ca 0.00 -1.32 -0.15 0.00 -1.18 0.00 0.00 61.69 59.04 3nfu s THR 374 Cb 0.00 -2.94 -0.26 0.00 1.34 0.00 0.00 72.50 70.64 3nfu s THR 374 CO 0.00 0.00 1.15 0.03 -0.54 0.00 0.00 174.62 175.26 3nfu h ARG 375 N 0.97 0.66 -2.89 3.99 3.08 -0.65 -3.42 114.38 116.13 3nfu h ARG 375 Ca -0.41 -0.79 -0.60 0.00 0.07 0.00 0.00 59.98 58.26 3nfu h ARG 375 Cb 1.27 0.24 -0.40 0.00 0.08 0.00 0.00 29.97 31.16 3nfu h ARG 375 CO 0.56 1.35 -0.77 -1.21 -1.07 0.00 0.00 179.97 178.83 3nfu s GLU 376 N -3.17 1.03 0.28 0.04 2.02 -1.26 -5.08 118.70 112.56 3nfu s GLU 376 Ca -0.10 -1.75 -0.28 0.00 0.02 0.00 0.00 54.97 52.87 3nfu s GLU 376 Cb 0.06 -2.00 -0.14 0.00 0.10 0.00 0.00 34.13 32.15 3nfu s GLU 376 CO 0.92 -1.17 0.93 -2.30 0.02 0.00 0.00 175.26 173.66 3nfu n PRO 377 N 3.76 1.14 -1.77 0.39 -0.02 -1.26 -4.93 135.00 132.31 3nfu n PRO 377 Ca 0.09 0.40 -0.39 0.00 -2.02 0.00 0.00 63.50 61.58 3nfu n PRO 377 Cb 0.36 -1.72 0.04 0.00 -0.02 0.00 0.00 33.50 32.16 3nfu n PRO 377 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3nfu s PHE 378 N -1.07 2.28 -0.03 6.00 0.40 -1.26 -5.00 117.98 119.30 3nfu s PHE 378 Ca 0.60 1.35 0.02 0.00 -0.60 0.00 0.00 56.93 58.29 3nfu s PHE 378 Cb -0.73 -3.83 -0.03 0.00 0.51 0.00 0.00 43.02 38.94 3nfu s PHE 378 CO 0.59 -2.97 -0.04 -0.65 0.70 0.00 0.00 175.22 172.85 3nfu s GLN 379 N -2.86 2.71 -0.35 0.44 -0.21 -1.26 -5.09 119.66 113.04 3nfu s GLN 379 Ca 0.71 -0.61 -0.14 0.00 0.02 0.00 0.00 55.36 55.34 3nfu s GLN 379 Cb -0.41 -2.60 -0.01 0.00 1.00 0.00 0.00 33.01 30.98 3nfu s GLN 379 CO 0.49 0.64 0.27 0.42 -2.12 0.00 0.00 175.29 174.99 3nfu s ILE 380 N -0.95 5.26 -0.02 1.08 1.01 -1.26 -4.36 121.20 121.95 3nfu s ILE 380 Ca 0.16 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.60 3nfu s ILE 380 Cb -0.11 -3.76 0.02 0.00 0.01 0.00 0.00 42.46 38.62 3nfu s ILE 380 CO 0.06 -0.06 -0.00 -0.60 0.00 0.00 0.00 174.94 174.33 3nfu s ARG 381 N 1.78 0.27 -1.57 2.79 3.52 -0.29 -4.63 118.95 120.82 3nfu s ARG 381 Ca 0.07 0.05 -0.02 0.00 -0.13 0.00 0.00 55.73 55.70 3nfu s ARG 381 Cb -0.17 -0.42 0.00 0.00 -1.56 0.00 0.00 34.95 32.80 3nfu s ARG 381 CO 0.11 -0.10 0.29 -3.47 -0.81 0.00 0.00 175.30 171.32 3nfu n ASP 382 N 3.94 -5.74 -1.29 -2.12 2.03 -0.86 -1.47 116.55 111.03 3nfu n ASP 382 Ca -0.25 -0.15 -0.15 0.00 0.52 0.00 0.00 54.79 54.77 3nfu n ASP 382 Cb 0.52 -4.67 -0.04 0.00 -0.72 0.00 0.00 41.12 36.20 3nfu n ASP 382 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3nfu n GLY 383 N -1.26 0.95 2.98 0.27 0.00 -0.21 -4.78 105.19 103.14 3nfu n GLY 383 Ca -0.17 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.71 0.33 -0.05 1.61 1.02 -0.54 -1.12 119.74 117.29 3nfu s LYS 384 Ca 0.00 -0.47 -0.00 0.00 0.02 0.00 0.00 55.97 55.52 3nfu s LYS 384 Cb 0.00 -0.11 -0.03 0.00 -0.52 0.00 0.00 37.83 37.16 3nfu s LYS 384 CO 0.00 0.01 0.01 -0.51 -0.92 0.00 0.00 175.35 173.94 3nfu s LEU 385 N -0.99 3.57 -0.02 3.17 1.43 0.96 -1.14 118.68 125.66 3nfu s LEU 385 Ca -0.08 0.08 -0.20 0.00 -1.03 0.00 0.00 54.13 52.90 3nfu s LEU 385 Cb -0.07 -1.92 -0.05 0.00 0.03 0.00 0.00 46.19 44.17 3nfu s LEU 385 CO -0.00 0.33 0.56 -0.89 0.23 0.00 0.00 176.35 176.58 3nfu s THR 386 N -0.98 4.95 -0.44 5.49 2.01 -1.26 -0.41 115.64 125.00 3nfu s THR 386 Ca 0.16 1.16 -0.19 0.00 0.31 0.00 0.00 61.69 63.13 3nfu s THR 386 Cb -0.11 -3.89 0.03 0.00 0.01 0.00 0.00 72.50 68.53 3nfu s THR 386 CO 0.06 0.43 0.55 -0.69 -0.69 0.00 0.00 174.62 174.28 3nfu s VAL 387 N -0.21 4.95 0.62 3.82 1.01 0.85 -4.95 120.40 126.48 3nfu s VAL 387 Ca 0.29 -0.14 -0.15 0.00 0.00 0.00 0.00 61.98 61.98 3nfu s VAL 387 Cb -0.18 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 3nfu s VAL 387 CO 0.16 -0.54 1.08 -2.84 0.00 0.00 0.00 175.10 172.96 3nfu s PRO 388 N 2.50 3.10 0.00 2.72 0.02 -1.26 -4.87 135.00 137.21 3nfu s PRO 388 Ca 0.17 1.25 0.24 0.00 0.02 0.00 0.00 61.00 62.69 3nfu s PRO 388 Cb -0.16 -2.00 0.34 0.00 0.02 0.00 0.00 34.50 32.70 3nfu s PRO 388 CO 0.16 -0.99 1.35 1.63 -0.33 0.00 0.00 177.00 178.82 3nfu n LYS 389 N -2.24 2.38 -1.70 5.54 5.02 -1.26 -4.86 118.16 121.05 3nfu n LYS 389 Ca 0.09 -2.05 -0.32 0.00 -2.02 0.00 0.00 58.31 54.01 3nfu n LYS 389 Cb 0.53 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 34.09 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 -1.76 3.82 0.61 -0.18 -4.23 -1.26 -4.61 115.64 108.03 3nfu s THR 390 Ca 0.33 0.69 -0.18 0.00 -1.18 0.00 0.00 61.69 61.35 3nfu s THR 390 Cb 0.21 -3.32 -0.03 0.00 1.34 0.00 0.00 72.50 70.71 3nfu s THR 390 CO 0.31 -0.68 1.23 -2.84 -0.54 0.00 0.00 174.62 172.10 3nfu s PRO 391 N -4.65 2.82 4.61 3.99 0.02 -1.26 -3.58 135.00 136.95 3nfu s PRO 391 Ca 0.61 1.89 0.00 0.00 0.02 0.00 0.00 61.00 63.52 3nfu s PRO 391 Cb -0.15 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.46 3nfu s PRO 391 CO 0.48 -1.34 0.00 0.41 -0.33 0.00 0.00 177.00 176.22 3nfu n GLY 392 N 0.61 1.40 0.20 0.52 0.00 0.13 -2.81 105.19 105.23 3nfu n GLY 392 Ca 0.14 -0.67 0.14 0.00 0.00 0.00 0.00 46.02 45.63 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 0.46 0.99 3.38 -1.87 -0.64 115.31 117.63 3nfu h LEU 393 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3nfu h LEU 393 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3nfu h LEU 393 CO 0.00 0.00 -0.09 0.61 0.09 0.00 0.00 178.44 179.05 3nfu n GLY 394 N 0.59 0.24 3.24 0.83 0.00 -1.12 -4.94 105.19 104.03 3nfu n GLY 394 Ca 0.03 -0.73 -0.18 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 1.30 -0.22 -0.61 -4.36 -1.26 -5.05 121.20 108.80 3nfu s ILE 395 Ca 0.00 -1.71 0.02 0.00 -0.26 0.00 0.00 60.65 58.70 3nfu s ILE 395 Cb -0.00 -1.51 0.04 0.00 1.25 0.00 0.00 42.46 42.24 3nfu s ILE 395 CO 0.00 -0.42 -0.13 -0.70 0.24 0.00 0.00 174.94 173.93 3nfu s GLU 396 N -2.67 2.40 0.18 0.37 2.56 -1.26 -5.04 118.70 115.24 3nfu s GLU 396 Ca 0.09 -1.07 -0.31 0.00 0.00 0.00 0.00 54.97 53.68 3nfu s GLU 396 Cb -0.05 -2.68 -0.10 0.00 2.00 0.00 0.00 34.13 33.31 3nfu s GLU 396 CO 0.03 -0.43 1.51 -1.17 -0.56 0.00 0.00 175.26 174.64 3nfu s LEU 397 N 1.23 4.37 -0.55 2.70 2.96 -1.26 0.07 118.68 128.21 3nfu s LEU 397 Ca -0.03 2.60 -0.18 0.00 -0.22 0.00 0.00 54.13 56.30 3nfu s LEU 397 Cb -0.17 -3.60 0.09 0.00 0.50 0.00 0.00 46.19 43.01 3nfu s LEU 397 CO -0.08 -0.77 0.60 -0.62 -1.32 0.00 0.00 176.35 174.16 3nfu s ASP 398 N 0.91 6.19 0.42 3.68 -1.08 -0.14 -4.72 116.67 121.94 3nfu s ASP 398 Ca 0.66 -1.37 0.13 0.00 -0.52 0.00 0.00 52.55 51.45 3nfu s ASP 398 Cb -0.42 -2.27 1.00 0.00 -1.46 0.00 0.00 42.92 39.77 3nfu s ASP 398 CO 0.35 -0.95 1.97 0.44 0.52 0.00 0.00 175.17 177.50 3nfu h ASP 399 N 9.03 0.40 0.07 -0.34 3.32 -1.94 -1.47 116.42 125.49 3nfu h ASP 399 Ca -0.29 0.01 -0.16 0.00 0.02 0.00 0.00 57.03 56.61 3nfu h ASP 399 Cb 1.09 -0.07 0.02 0.00 0.22 0.00 0.00 39.33 40.59 3nfu h ASP 399 CO 1.03 0.24 -0.68 0.44 -1.72 0.00 0.00 179.24 178.55 3nfu h ASP 400 N 0.45 0.49 -0.42 6.45 3.32 -1.95 -2.66 116.42 122.09 3nfu h ASP 400 Ca 0.29 -0.85 -0.01 0.00 0.02 0.00 0.00 57.03 56.48 3nfu h ASP 400 Cb 0.54 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 3nfu h ASP 400 CO -0.08 1.29 0.24 0.11 -1.72 0.00 0.00 179.24 179.08 3nfu h LYS 401 N -0.25 0.60 -0.18 3.56 1.79 -1.78 -1.28 116.57 119.04 3nfu h LYS 401 Ca -0.10 -0.06 -0.21 0.00 -2.18 0.00 0.00 60.65 58.10 3nfu h LYS 401 Cb 1.46 -0.13 0.01 0.00 -1.58 0.00 0.00 32.23 31.99 3nfu h LYS 401 CO 0.13 0.45 -0.71 1.25 -1.08 0.00 0.00 179.45 179.48 3nfu h LEU 402 N 0.61 0.90 -0.86 2.94 5.85 -1.34 -2.00 115.31 121.42 3nfu h LEU 402 Ca 0.16 -0.56 -0.05 0.00 0.84 0.00 0.00 57.88 58.27 3nfu h LEU 402 Cb 0.02 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 3nfu h LEU 402 CO -0.03 1.36 0.27 -0.03 -0.34 0.00 0.00 178.44 179.67 3nfu h MET 403 N 0.55 1.11 -0.41 1.25 4.05 -1.17 -0.73 114.93 119.59 3nfu h MET 403 Ca -0.03 -0.21 -0.08 0.00 -0.28 0.00 0.00 59.70 59.09 3nfu h MET 403 Cb 1.33 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.94 3nfu h MET 403 CO 0.15 0.92 -0.07 0.93 0.23 0.00 0.00 176.91 179.06 3nfu h GLU 404 N 1.08 0.77 -0.39 0.39 5.08 -1.18 -1.84 114.58 118.48 3nfu h GLU 404 Ca 0.24 -0.28 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 3nfu h GLU 404 Cb 0.24 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3nfu h GLU 404 CO -0.02 0.89 -0.17 0.00 -1.00 0.00 0.00 179.01 178.71 3nfu h ALA 405 N 0.86 0.97 -0.31 3.43 0.00 -1.18 -1.56 119.26 121.47 3nfu h ALA 405 Ca 0.11 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 3nfu h ALA 405 Cb 0.59 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3nfu h ALA 405 CO 0.04 0.60 -0.22 1.25 0.00 0.00 0.00 179.25 180.91 3nfu h HIS 406 N 0.65 0.66 -0.30 0.00 -0.00 -1.11 -0.15 115.15 114.92 3nfu h HIS 406 Ca 0.10 -0.14 -0.12 0.00 -0.00 0.00 0.00 60.37 60.22 3nfu h HIS 406 Cb 0.65 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 27.89 3nfu h HIS 406 CO 0.03 0.77 -0.27 1.49 -0.00 0.00 0.00 177.93 179.95 3nfu h GLU 407 N 0.52 0.71 -0.90 5.26 4.57 -0.99 -1.43 114.58 122.32 3nfu h GLU 407 Ca 0.08 -0.36 0.10 0.00 -1.18 0.00 0.00 59.36 57.99 3nfu h GLU 407 Cb 0.67 0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 29.19 3nfu h GLU 407 CO 0.05 0.98 0.55 1.15 -1.18 0.00 0.00 179.01 180.55 3nfu h THR 408 N 0.46 0.94 -0.60 0.32 2.02 -1.24 -1.03 112.91 113.79 3nfu h THR 408 Ca 0.05 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 3nfu h THR 408 Cb 0.84 -0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 3nfu h THR 408 CO 0.07 0.17 0.33 0.22 0.37 0.00 0.00 175.52 176.67 3nfu h TYR 409 N 0.91 0.82 -0.60 3.16 3.20 -0.95 -2.95 116.97 120.56 3nfu h TYR 409 Ca 0.43 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.19 3nfu h TYR 409 Cb 0.37 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 3nfu h TYR 409 CO -0.03 0.59 0.01 0.87 -1.64 0.00 0.00 178.16 177.96 3nfu h LYS 410 N 0.81 1.03 -0.86 1.82 1.57 -0.63 -3.07 116.57 117.25 3nfu h LYS 410 Ca 0.21 -0.31 0.04 0.00 -1.87 0.00 0.00 60.65 58.72 3nfu h LYS 410 Cb 0.04 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.19 3nfu h LYS 410 CO -0.03 1.00 0.55 0.00 -0.57 0.00 0.00 179.45 180.39 3nfu h ARG 411 N 0.95 1.01 0.00 3.15 3.08 -1.16 -3.31 114.38 118.09 3nfu h ARG 411 Ca 0.17 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.09 3nfu h ARG 411 Cb 0.53 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 3nfu h ARG 411 CO 0.03 0.67 -0.33 -0.07 -1.07 0.00 0.00 179.97 179.19 3nfu h LEU 412 N 1.04 0.00 0.98 3.04 3.38 -1.41 -3.47 115.31 118.86 3nfu h LEU 412 Ca 0.35 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.91 3nfu h LEU 412 Cb 0.06 0.00 0.06 0.00 0.09 0.00 0.00 40.66 40.87 3nfu h LEU 412 CO -0.13 0.33 -0.61 -0.67 0.09 0.00 0.00 178.44 177.45 3nfu n ASP 413 N -3.36 -6.17 -4.30 -0.43 4.64 -1.25 -5.02 116.55 100.66 3nfu n ASP 413 Ca 0.01 -0.29 -0.24 0.00 -1.38 0.00 0.00 54.79 52.88 3nfu n ASP 413 Cb 0.54 -4.98 -0.12 0.00 -1.04 0.00 0.00 41.12 35.52 3nfu n ASP 413 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 3nfu s VAL 414 N -3.19 1.76 0.00 5.18 -7.23 -1.26 -5.04 120.40 110.62 3nfu s VAL 414 Ca 0.31 -1.58 0.00 0.00 -1.81 0.00 0.00 61.98 58.90 3nfu s VAL 414 Cb -0.14 -1.61 0.00 0.00 0.56 0.00 0.00 36.38 35.20 3nfu s VAL 414 CO 0.38 -0.06 0.35 0.35 -0.31 0.00 0.00 175.10 175.81 3nfu n THR 415 N 1.03 0.00 -3.74 5.32 -2.24 -1.26 -5.02 114.28 108.37 3nfu n THR 415 Ca -0.19 -0.40 -0.13 0.00 -2.27 0.00 0.00 64.05 61.05 3nfu n THR 415 Cb 0.54 1.18 -0.09 0.00 -2.10 0.00 0.00 70.33 69.85 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 -0.09 0.61 0.29 -0.78 -2.07 -1.26 -3.71 119.66 112.65 3nfu s GLN 416 Ca 0.00 0.06 -0.30 0.00 -1.82 0.00 0.00 55.36 53.30 3nfu s GLN 416 Cb 0.00 0.28 -0.11 0.00 -1.09 0.00 0.00 33.01 32.09 3nfu s GLN 416 CO 0.00 -0.15 1.56 0.50 -1.32 0.00 0.00 175.29 175.88 3nfu s ARG 417 N -0.83 4.14 -0.27 9.60 3.52 -1.26 -5.01 118.95 128.84 3nfu s ARG 417 Ca -0.09 2.54 -0.04 0.00 -0.13 0.00 0.00 55.73 58.01 3nfu s ARG 417 Cb -0.04 -3.03 0.10 0.00 -1.56 0.00 0.00 34.95 30.41 3nfu s ARG 417 CO 0.03 -0.59 0.14 1.21 -0.81 0.00 0.00 175.30 175.28 3nfu s ASN 418 N 0.42 3.09 0.00 -2.12 2.47 -1.26 -5.01 114.94 112.53 3nfu s ASN 418 Ca 0.62 -1.09 0.29 0.00 0.42 0.00 0.00 52.86 53.10 3nfu s ASN 418 Cb -0.47 -0.22 1.30 0.00 -1.45 0.00 0.00 41.25 40.41 3nfu s ASN 418 CO 0.48 -0.42 1.94 0.47 -3.72 0.00 0.00 177.10 175.86 3nfu n ASP 419 N 5.26 0.08 0.08 -4.21 9.92 -1.26 -3.89 116.55 122.54 3nfu n ASP 419 Ca -0.06 0.10 -0.09 0.00 -0.53 0.00 0.00 54.79 54.21 3nfu n ASP 419 Cb 0.44 -0.33 -0.06 0.00 -0.64 0.00 0.00 41.12 40.52 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 3.22 0.40 -0.14 2.24 0.00 -1.79 0.50 119.26 123.69 3nfu h ALA 420 Ca 0.00 -0.81 0.04 0.00 0.00 0.00 0.00 54.91 54.14 3nfu h ALA 420 Cb 0.40 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 3nfu h ALA 420 CO 0.00 1.04 -0.18 1.98 0.00 0.00 0.00 179.25 182.09 3nfu h MET 421 N 0.05 -0.21 0.00 0.00 -1.53 -1.88 -2.46 114.93 108.90 3nfu h MET 421 Ca -0.05 0.01 -0.00 0.00 -3.44 0.00 0.00 59.70 56.23 3nfu h MET 421 Cb 1.67 0.05 -0.00 0.00 -0.55 0.00 0.00 31.60 32.77 3nfu h MET 421 CO 0.14 -0.14 -0.01 0.00 0.14 0.00 0.00 176.91 177.04 3nfu h ALA 422 N 0.81 1.00 -0.07 0.39 0.00 -1.80 -2.96 119.26 116.64 3nfu h ALA 422 Ca 0.10 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 3nfu h ALA 422 Cb 0.37 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3nfu h ALA 422 CO -0.27 0.01 -0.53 0.52 0.00 0.00 0.00 179.25 178.98 3nfu h MET 423 N 0.00 0.21 -0.87 0.00 2.86 -1.58 -3.21 114.93 112.34 3nfu h MET 423 Ca -0.00 -0.12 0.19 0.00 -2.06 0.00 0.00 59.70 57.71 3nfu h MET 423 Cb 0.44 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.04 3nfu h MET 423 CO 0.00 0.69 0.58 1.96 1.06 0.00 0.00 176.91 181.20 3nfu h GLN 424 N 0.16 0.38 0.00 1.72 1.08 -1.51 0.35 115.11 117.28 3nfu h GLN 424 Ca 0.00 -0.02 -0.05 0.00 -1.45 0.00 0.00 58.65 57.13 3nfu h GLN 424 Cb 0.99 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.32 3nfu h GLN 424 CO 0.08 0.25 -0.25 1.88 -0.95 0.00 0.00 178.83 179.84 3nfu h TYR 425 N 0.39 0.00 0.03 2.96 0.05 -1.75 -2.83 116.97 115.82 3nfu h TYR 425 Ca 0.45 0.00 -0.39 0.00 0.05 0.00 0.00 58.73 58.84 3nfu h TYR 425 Cb 1.13 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.81 3nfu h TYR 425 CO -0.00 0.25 -2.32 1.28 -1.05 0.00 0.00 178.16 176.32 3nfu n LEU 426 N -3.68 2.71 -3.67 3.88 4.77 0.16 -4.85 117.00 116.32 3nfu n LEU 426 Ca -0.01 0.04 -0.28 0.00 -0.03 0.00 0.00 56.01 55.72 3nfu n LEU 426 Cb 0.36 -0.95 -0.16 0.00 -2.33 0.00 0.00 43.42 40.34 3nfu n LEU 426 CO 0.34 0.84 -0.34 -0.63 -1.33 0.00 0.00 177.39 176.26 3nfu s ILE 427 N -2.52 0.34 0.12 -0.08 1.01 0.99 -5.12 121.20 115.93 3nfu s ILE 427 Ca -0.32 -0.69 -0.31 0.00 0.00 0.00 0.00 60.65 59.32 3nfu s ILE 427 Cb 0.09 -1.06 -0.10 0.00 0.01 0.00 0.00 42.46 41.40 3nfu s ILE 427 CO 0.62 -0.44 1.85 -2.84 0.00 0.00 0.00 174.94 174.14 3nfu s PRO 428 N 1.92 4.13 0.00 2.79 0.02 -1.07 -2.39 135.00 140.41 3nfu s PRO 428 Ca 0.04 2.61 0.00 0.00 0.02 0.00 0.00 61.00 63.67 3nfu s PRO 428 Cb -0.17 -3.66 0.00 0.00 0.02 0.00 0.00 34.50 30.70 3nfu s PRO 428 CO -0.18 -0.86 0.00 0.41 -0.33 0.00 0.00 177.00 176.04 3nfu n GLY 429 N 4.28 0.72 3.67 0.52 0.00 -1.26 -5.02 105.19 108.08 3nfu n GLY 429 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.53 2.12 -4.35 1.61 -0.00 -1.01 -5.02 117.44 108.26 3nfu n TRP 430 Ca 0.00 0.47 -0.25 0.00 -0.00 0.00 0.00 57.50 57.73 3nfu n TRP 430 Cb 0.00 -2.44 -0.12 0.00 -0.00 0.00 0.00 31.31 28.75 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 -0.72 1.32 0.29 5.87 2.02 -1.26 -4.91 118.70 121.31 3nfu s GLU 431 Ca 0.66 -1.37 -0.29 0.00 0.02 0.00 0.00 54.97 53.98 3nfu s GLU 431 Cb -0.64 -1.55 -0.10 0.00 0.10 0.00 0.00 34.13 31.93 3nfu s GLU 431 CO 0.52 0.34 1.30 0.12 0.02 0.00 0.00 175.26 177.56 3nfu s PHE 432 N -1.60 3.14 -0.16 1.61 5.36 -1.26 -5.04 117.98 120.03 3nfu s PHE 432 Ca 0.14 1.37 -0.04 0.00 -0.96 0.00 0.00 56.93 57.44 3nfu s PHE 432 Cb -0.08 -3.64 0.07 0.00 -0.34 0.00 0.00 43.02 39.03 3nfu s PHE 432 CO 0.07 -1.81 0.17 0.34 -1.46 0.00 0.00 175.22 172.53 3nfu s ASP 433 N -0.28 1.45 0.42 6.13 3.68 -1.26 -5.03 116.67 121.78 3nfu s ASP 433 Ca 0.51 -0.17 0.29 0.00 2.13 0.00 0.00 52.55 55.31 3nfu s ASP 433 Cb -0.39 0.19 1.45 0.00 -1.45 0.00 0.00 42.92 42.73 3nfu s ASP 433 CO 0.48 -0.31 1.88 1.55 0.13 0.00 0.00 175.17 178.90 3nfu h PRO 434 N 8.35 0.00 -0.35 4.34 0.13 -1.92 -2.32 132.00 140.23 3nfu h PRO 434 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 3nfu h PRO 434 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3nfu h PRO 434 CO 0.25 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.65 3nfu n LYS 435 N -2.54 2.72 -3.79 0.86 4.76 -1.26 -3.76 118.16 115.14 3nfu n LYS 435 Ca -0.01 -2.04 -0.19 0.00 -2.87 0.00 0.00 58.31 53.20 3nfu n LYS 435 Cb 0.12 -1.29 -0.17 0.00 -1.84 0.00 0.00 35.03 31.85 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 -1.00 0.22 0.40 1.97 3.52 -0.88 -4.70 118.95 118.48 3nfu s ARG 436 Ca 0.24 0.20 -0.27 0.00 -0.13 0.00 0.00 55.73 55.78 3nfu s ARG 436 Cb 0.13 -0.60 -0.10 0.00 -1.56 0.00 0.00 34.95 32.82 3nfu s ARG 436 CO 0.17 -0.25 1.41 -2.30 -0.81 0.00 0.00 175.30 173.52 3nfu n PRO 437 N 4.80 2.36 -0.25 5.12 -0.02 -1.26 -4.54 135.00 141.21 3nfu n PRO 437 Ca -0.14 0.83 0.22 0.00 -2.02 0.00 0.00 63.50 62.40 3nfu n PRO 437 Cb 0.50 -2.57 0.56 0.00 -0.02 0.00 0.00 33.50 31.98 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 2.57 2.37 -0.16 3.55 0.00 -1.43 -1.57 119.26 124.60 3nfu h ALA 438 Ca -0.50 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3nfu h ALA 438 Cb 1.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3nfu h ALA 438 CO 0.62 -0.68 0.00 1.28 0.00 0.00 0.00 179.25 180.47 3nfu n LEU 439 N -4.47 2.35 -4.68 0.00 4.77 0.24 -4.95 117.00 110.25 3nfu n LEU 439 Ca 0.21 -1.44 -0.43 0.00 -0.03 0.00 0.00 56.01 54.32 3nfu n LEU 439 Cb 0.81 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.77 3nfu n LEU 439 CO 0.32 0.52 0.93 -0.69 -1.33 0.00 0.00 177.39 177.14 3nfu s VAL 440 N -0.95 4.46 -2.55 4.08 1.01 -0.59 -4.96 120.40 120.90 3nfu s VAL 440 Ca 0.17 1.76 0.28 0.00 0.00 0.00 0.00 61.98 64.19 3nfu s VAL 440 Cb 0.10 -4.13 0.51 0.00 0.00 0.00 0.00 36.38 32.86 3nfu s VAL 440 CO 0.14 -0.05 1.70 -0.62 0.00 0.00 0.00 175.10 176.27