#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rpt s GLU 2 N 0.00 0.99 -0.13 1.64 2.12 -0.12 -4.96 118.70 118.23 1rpt s GLU 2 Ca 0.00 -0.64 -0.15 0.00 0.36 0.00 0.00 54.97 54.54 1rpt s GLU 2 Cb 0.00 -0.98 -0.05 0.00 0.26 0.00 0.00 34.13 33.37 1rpt s GLU 2 CO 0.00 0.25 0.35 -1.17 -0.54 0.00 0.00 175.26 174.15 1rpt s LEU 3 N -0.80 4.28 -0.11 2.70 2.96 -1.26 -0.10 118.68 126.35 1rpt s LEU 3 Ca 0.03 0.64 0.13 0.00 -0.22 0.00 0.00 54.13 54.71 1rpt s LEU 3 Cb -0.07 -2.47 -0.19 0.00 0.50 0.00 0.00 46.19 43.96 1rpt s LEU 3 CO 0.01 0.11 0.12 0.29 -1.32 0.00 0.00 176.35 175.55 1rpt n LYS 4 N 3.35 1.37 -3.94 1.98 4.76 0.62 -4.95 118.16 121.36 1rpt n LYS 4 Ca -0.11 -0.04 -0.09 0.00 -2.87 0.00 0.00 58.31 55.20 1rpt n LYS 4 Cb 0.52 -1.37 -0.09 0.00 -1.84 0.00 0.00 35.03 32.26 1rpt n LYS 4 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 1rpt s PHE 5 N -2.52 0.26 0.02 2.13 5.36 -0.71 -4.80 117.98 117.72 1rpt s PHE 5 Ca -0.07 -0.68 -0.05 0.00 -0.96 0.00 0.00 56.93 55.17 1rpt s PHE 5 Cb 0.06 -0.17 -0.01 0.00 -0.34 0.00 0.00 43.02 42.56 1rpt s PHE 5 CO 0.60 -0.45 0.09 0.54 -1.46 0.00 0.00 175.22 174.54 1rpt s VAL 6 N -3.50 0.11 -0.01 3.12 0.11 -1.23 -1.84 120.40 117.17 1rpt s VAL 6 Ca 0.03 -0.94 0.01 0.00 -2.93 0.00 0.00 61.98 58.15 1rpt s VAL 6 Cb 0.04 -0.65 0.00 0.00 -1.53 0.00 0.00 36.38 34.24 1rpt s VAL 6 CO -0.09 -0.52 -0.03 -0.89 -3.33 0.00 0.00 175.10 170.25 1rpt s THR 7 N -2.03 0.27 -0.20 5.04 2.01 -0.19 -3.28 115.64 117.26 1rpt s THR 7 Ca -0.10 -0.11 0.01 0.00 0.31 0.00 0.00 61.69 61.80 1rpt s THR 7 Cb -0.05 -0.25 0.04 0.00 0.01 0.00 0.00 72.50 72.26 1rpt s THR 7 CO -0.02 0.09 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.13 1rpt s LEU 8 N 0.11 2.32 -0.72 4.42 1.02 -1.22 -0.79 118.68 123.81 1rpt s LEU 8 Ca -0.01 -0.88 -0.05 0.00 0.02 0.00 0.00 54.13 53.21 1rpt s LEU 8 Cb -0.04 -1.27 0.18 0.00 0.02 0.00 0.00 46.19 45.09 1rpt s LEU 8 CO -0.00 -0.13 0.57 0.54 0.02 0.00 0.00 176.35 177.35 1rpt s VAL 9 N 1.37 4.25 0.83 -1.59 0.11 -0.99 -3.20 120.40 121.18 1rpt s VAL 9 Ca -0.01 -3.01 -0.11 0.00 -2.93 0.00 0.00 61.98 55.92 1rpt s VAL 9 Cb -0.16 -3.70 0.13 0.00 -1.53 0.00 0.00 36.38 31.11 1rpt s VAL 9 CO -0.08 -0.95 1.18 0.72 -3.33 0.00 0.00 175.10 172.63 1rpt s PHE 10 N -0.24 2.29 0.20 1.54 -0.12 -1.15 -3.24 117.98 117.26 1rpt s PHE 10 Ca 0.19 0.41 0.10 0.00 -0.05 0.00 0.00 56.93 57.58 1rpt s PHE 10 Cb -0.16 -3.61 -0.04 0.00 -0.63 0.00 0.00 43.02 38.58 1rpt s PHE 10 CO -0.06 -2.01 -0.15 0.50 -0.05 0.00 0.00 175.22 173.45 1rpt s ARG 11 N -5.57 1.83 1.30 1.99 3.00 0.21 -2.63 118.95 119.08 1rpt s ARG 11 Ca 0.66 -1.42 -0.19 0.00 -1.00 0.00 0.00 55.73 53.79 1rpt s ARG 11 Cb -0.08 -2.01 0.30 0.00 0.00 0.00 0.00 34.95 33.17 1rpt s ARG 11 CO 0.49 0.41 0.74 -2.39 0.00 0.00 0.00 175.30 174.55 1rpt n HIS 12 N 0.02 -2.71 -1.26 5.12 1.44 -1.04 -2.87 115.22 113.92 1rpt n HIS 12 Ca -0.11 -0.43 0.00 0.00 -2.01 0.00 0.00 57.72 55.17 1rpt n HIS 12 Cb 0.56 -1.46 0.00 0.00 0.12 0.00 0.00 29.99 29.21 1rpt n HIS 12 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1rpt n GLY 13 N 1.78 0.50 3.75 -1.39 0.00 -1.26 -1.05 105.19 107.52 1rpt n GLY 13 Ca 0.08 -1.85 -0.38 0.00 0.00 0.00 0.00 46.02 43.87 1rpt n GLY 13 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rpt s ASP 14 N -1.00 5.19 0.27 1.61 2.15 -1.26 -4.74 116.67 118.88 1rpt s ASP 14 Ca 0.00 2.66 0.03 0.00 0.43 0.00 0.00 52.55 55.67 1rpt s ASP 14 Cb 0.00 -2.63 -0.03 0.00 -0.30 0.00 0.00 42.92 39.96 1rpt s ASP 14 CO 0.00 -1.61 0.22 0.00 -0.17 0.00 0.00 175.17 173.61 1rpt s ARG 15 N -3.03 1.51 0.00 4.34 1.70 -1.26 -2.66 118.95 119.54 1rpt s ARG 15 Ca 0.74 -1.82 0.00 0.00 -0.47 0.00 0.00 55.73 54.18 1rpt s ARG 15 Cb -0.38 0.31 0.00 0.00 -0.57 0.00 0.00 34.95 34.31 1rpt s ARG 15 CO 0.43 -0.54 0.00 0.41 -1.08 0.00 0.00 175.30 174.53 1rpt n GLY 16 N -0.46 0.43 3.76 3.88 0.00 -0.74 -4.77 105.19 107.30 1rpt n GLY 16 Ca 0.05 -1.85 -0.39 0.00 0.00 0.00 0.00 46.02 43.82 1rpt n GLY 16 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rpt s PRO 17 N -0.22 4.45 0.04 1.61 0.05 -1.26 -3.97 135.00 135.70 1rpt s PRO 17 Ca 0.00 0.99 -0.21 0.00 0.05 0.00 0.00 61.00 61.83 1rpt s PRO 17 Cb 0.00 -3.33 -0.15 0.00 0.05 0.00 0.00 34.50 31.07 1rpt s PRO 17 CO 0.00 0.38 1.35 -0.84 0.05 0.00 0.00 177.00 177.94 1rpt h ILE 18 N 3.94 1.34 -3.75 0.56 3.07 -1.91 -1.49 117.51 119.28 1rpt h ILE 18 Ca -0.45 -1.26 -0.08 0.00 1.55 0.00 0.00 64.86 64.61 1rpt h ILE 18 Cb 1.21 1.87 -0.13 0.00 -0.27 0.00 0.00 36.82 39.49 1rpt h ILE 18 CO 0.69 0.37 -0.30 -1.83 -1.05 0.00 0.00 178.15 176.03 1rpt s GLU 19 N -4.34 0.97 0.22 0.16 -1.05 -1.26 -4.53 118.70 108.87 1rpt s GLU 19 Ca -0.14 -0.97 0.02 0.00 -0.15 0.00 0.00 54.97 53.73 1rpt s GLU 19 Cb 0.05 0.37 -0.05 0.00 -0.44 0.00 0.00 34.13 34.07 1rpt s GLU 19 CO 0.75 -0.34 0.03 -0.08 0.95 0.00 0.00 175.26 176.57 1rpt s THR 20 N -3.88 0.76 0.70 1.83 -1.32 -1.26 -4.61 115.64 107.86 1rpt s THR 20 Ca 0.08 -2.00 -0.12 0.00 -1.21 0.00 0.00 61.69 58.44 1rpt s THR 20 Cb 0.04 -2.34 0.02 0.00 -1.51 0.00 0.00 72.50 68.70 1rpt s THR 20 CO -0.08 -0.29 1.08 0.72 -2.21 0.00 0.00 174.62 173.84 1rpt s PHE 21 N -3.61 2.83 0.27 9.09 -0.12 -0.77 -4.96 117.98 120.71 1rpt s PHE 21 Ca 0.29 1.50 -0.04 0.00 -0.05 0.00 0.00 56.93 58.64 1rpt s PHE 21 Cb 0.06 -3.00 0.36 0.00 -0.63 0.00 0.00 43.02 39.82 1rpt s PHE 21 CO 0.08 -1.49 1.92 -1.35 -0.05 0.00 0.00 175.22 174.33 1rpt h PRO 22 N -0.59 1.20 -1.89 1.99 0.11 -1.82 -3.04 132.00 127.96 1rpt h PRO 22 Ca -0.45 -0.07 -0.38 0.00 0.11 0.00 0.00 66.00 65.22 1rpt h PRO 22 Cb 1.22 -0.27 -0.14 0.00 0.11 0.00 0.00 31.00 31.92 1rpt h PRO 22 CO 0.54 0.79 0.23 0.09 -0.21 0.00 0.00 178.00 179.45 1rpt n ASN 23 N -4.43 6.19 -4.62 -2.05 3.02 -0.64 -4.88 115.26 107.85 1rpt n ASN 23 Ca 0.13 -3.00 -0.38 0.00 -0.03 0.00 0.00 54.58 51.30 1rpt n ASN 23 Cb 0.08 -1.22 -0.10 0.00 -0.61 0.00 0.00 39.78 37.92 1rpt n ASN 23 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1rpt s ASP 24 N 0.70 6.08 0.52 6.41 -1.08 -1.15 -4.94 116.67 123.21 1rpt s ASP 24 Ca 0.51 0.06 0.33 0.00 -0.52 0.00 0.00 52.55 52.94 1rpt s ASP 24 Cb 0.32 -2.13 1.40 0.00 -1.46 0.00 0.00 42.92 41.06 1rpt s ASP 24 CO -0.12 -0.02 1.97 1.55 0.52 0.00 0.00 175.17 179.07 1rpt h PRO 25 N 8.06 0.00 -6.43 4.34 0.13 -1.92 -3.42 132.00 132.75 1rpt h PRO 25 Ca -0.36 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.20 1rpt h PRO 25 Cb 1.18 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.24 1rpt h PRO 25 CO 0.59 0.00 0.85 0.42 -0.23 0.00 0.00 178.00 179.64 1rpt s ILE 26 N -3.66 4.41 0.62 -3.56 1.09 -1.26 -5.02 121.20 113.82 1rpt s ILE 26 Ca 0.01 1.50 -0.10 0.00 -1.10 0.00 0.00 60.65 60.96 1rpt s ILE 26 Cb 0.09 -4.48 -0.03 0.00 -1.06 0.00 0.00 42.46 36.99 1rpt s ILE 26 CO 0.51 -0.68 1.02 -0.54 -0.10 0.00 0.00 174.94 175.14 1rpt s LYS 27 N 3.93 3.43 0.20 2.79 -0.14 -1.26 -4.95 119.74 123.74 1rpt s LYS 27 Ca 0.46 0.62 -0.10 0.00 -1.36 0.00 0.00 55.97 55.59 1rpt s LYS 27 Cb -0.10 -2.10 0.14 0.00 -1.68 0.00 0.00 37.83 34.08 1rpt s LYS 27 CO 0.22 -0.63 1.82 1.49 -0.76 0.00 0.00 175.35 177.49 1rpt h GLU 28 N -0.33 1.02 0.00 1.68 4.81 -1.95 -0.39 114.58 119.42 1rpt h GLU 28 Ca -0.44 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 58.67 1rpt h GLU 28 Cb 1.21 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.38 1rpt h GLU 28 CO 0.62 0.75 0.48 0.66 -0.73 0.00 0.00 179.01 180.80 1rpt h SER 29 N 1.01 0.00 1.52 1.04 4.64 -1.98 0.13 113.55 119.91 1rpt h SER 29 Ca 0.26 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.53 1rpt h SER 29 Cb 0.03 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 1rpt h SER 29 CO -0.04 0.00 -0.49 0.28 -0.87 0.00 0.00 176.83 175.70 1rpt h SER 30 N 0.00 0.00 -3.14 4.97 0.02 -1.43 -3.42 113.55 110.55 1rpt h SER 30 Ca 0.00 0.00 -0.71 0.00 -0.84 0.00 0.00 61.79 60.24 1rpt h SER 30 Cb 0.97 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.30 1rpt h SER 30 CO 0.00 0.19 -0.06 0.26 -1.14 0.00 0.00 176.83 176.09 1rpt s TRP 31 N -3.15 3.11 0.14 3.45 0.52 0.46 -4.92 118.94 118.55 1rpt s TRP 31 Ca 0.04 -0.86 -0.10 0.00 0.02 0.00 0.00 56.10 55.19 1rpt s TRP 31 Cb 0.07 -3.63 -0.05 0.00 -1.15 0.00 0.00 33.47 28.71 1rpt s TRP 31 CO 0.73 -1.05 1.44 -1.00 0.02 0.00 0.00 176.95 177.08 1rpt h PRO 32 N 8.98 0.87 0.00 4.98 0.13 -1.81 -1.52 132.00 143.63 1rpt h PRO 32 Ca -0.29 -0.52 -0.03 0.00 -0.87 0.00 0.00 66.00 64.29 1rpt h PRO 32 Cb 1.10 0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 1rpt h PRO 32 CO 1.00 1.16 -0.15 1.96 -0.23 0.00 0.00 178.00 181.74 1rpt h GLN 33 N 0.68 0.00 0.00 0.86 7.50 -1.91 -3.50 115.11 118.74 1rpt h GLN 33 Ca 0.03 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.18 1rpt h GLN 33 Cb 1.10 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.63 1rpt h GLN 33 CO 0.11 0.15 0.00 0.41 -1.50 0.00 0.00 178.83 178.00 1rpt n GLY 34 N 0.59 2.88 3.77 3.46 0.00 -0.57 -4.78 105.19 110.53 1rpt n GLY 34 Ca 0.02 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 43.79 1rpt n GLY 34 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rpt s PHE 35 N -2.47 3.10 0.00 1.61 0.08 -1.26 -1.57 117.98 117.46 1rpt s PHE 35 Ca 0.00 1.45 0.00 0.00 0.12 0.00 0.00 56.93 58.50 1rpt s PHE 35 Cb 0.00 -3.63 0.00 0.00 -0.57 0.00 0.00 43.02 38.82 1rpt s PHE 35 CO 0.00 -1.72 0.00 0.41 -0.10 0.00 0.00 175.22 173.81 1rpt n GLY 36 N 0.83 2.97 3.79 4.36 0.00 -0.56 -4.87 105.19 111.70 1rpt n GLY 36 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1rpt n GLY 36 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1rpt s GLN 37 N -0.02 4.39 0.42 1.61 2.00 -0.61 -4.60 119.66 122.85 1rpt s GLN 37 Ca 0.00 0.94 -0.26 0.00 -2.00 0.00 0.00 55.36 54.04 1rpt s GLN 37 Cb 0.00 -3.27 -0.09 0.00 0.80 0.00 0.00 33.01 30.45 1rpt s GLN 37 CO 0.00 0.55 1.44 -1.17 -0.50 0.00 0.00 175.29 175.61 1rpt s LEU 38 N -0.93 4.21 0.75 3.68 2.96 -1.26 -1.79 118.68 126.30 1rpt s LEU 38 Ca 0.33 2.94 -0.03 0.00 -0.22 0.00 0.00 54.13 57.15 1rpt s LEU 38 Cb -0.21 -3.82 0.13 0.00 0.50 0.00 0.00 46.19 42.79 1rpt s LEU 38 CO 0.22 -1.02 1.04 0.42 -1.32 0.00 0.00 176.35 175.69 1rpt s THR 39 N -1.17 2.14 -2.00 3.68 -4.23 -1.09 -4.86 115.64 108.11 1rpt s THR 39 Ca 0.57 -0.49 0.08 0.00 -1.18 0.00 0.00 61.69 60.67 1rpt s THR 39 Cb -0.44 -2.65 0.23 0.00 1.34 0.00 0.00 72.50 70.98 1rpt s THR 39 CO 0.58 0.00 0.91 0.29 -0.54 0.00 0.00 174.62 175.86 1rpt n LYS 40 N -2.96 0.41 -0.11 3.99 5.02 -1.26 -1.12 118.16 122.13 1rpt n LYS 40 Ca 0.14 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.26 1rpt n LYS 40 Cb 0.60 -1.31 -0.09 0.00 -0.02 0.00 0.00 35.03 34.21 1rpt n LYS 40 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 1rpt n TRP 41 N -0.81 0.00 0.21 2.13 -0.00 -1.26 -3.91 117.44 113.80 1rpt n TRP 41 Ca 0.06 0.00 0.17 0.00 -0.00 0.00 0.00 57.50 57.73 1rpt n TRP 41 Cb 0.03 -0.79 0.84 0.00 -0.00 0.00 0.00 31.31 31.38 1rpt n TRP 41 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 1rpt h GLY 42 N 0.81 0.00 0.00 5.87 0.00 -1.23 0.18 103.07 108.71 1rpt h GLY 42 Ca -0.49 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 1rpt h GLY 42 CO -0.16 0.00 -0.00 -0.33 0.00 0.00 0.00 176.54 176.05 1rpt h MET 43 N 0.00 -0.00 -1.23 4.80 2.86 -1.75 -2.87 114.93 116.74 1rpt h MET 43 Ca 0.08 0.00 0.45 0.00 -2.06 0.00 0.00 59.70 58.17 1rpt h MET 43 Cb 0.46 0.00 -0.16 0.00 0.06 0.00 0.00 31.60 31.97 1rpt h MET 43 CO -0.00 -0.00 0.75 0.41 1.06 0.00 0.00 176.91 179.12 1rpt n GLY 44 N 1.66 -0.80 0.24 8.32 0.00 -0.82 0.55 105.19 114.34 1rpt n GLY 44 Ca -0.00 0.78 -0.12 0.00 0.00 0.00 0.00 46.02 46.68 1rpt n GLY 44 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1rpt h GLN 45 N 0.00 0.80 0.00 1.61 4.20 -0.73 -1.88 115.11 119.12 1rpt h GLN 45 Ca 0.87 -0.34 -0.01 0.00 0.06 0.00 0.00 58.65 59.22 1rpt h GLN 45 Cb 2.60 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 30.35 1rpt h GLN 45 CO -0.59 0.96 -0.07 0.45 -0.67 0.00 0.00 178.83 178.92 1rpt h HIS 46 N 0.61 0.00 0.84 2.96 3.86 0.34 -2.52 115.15 121.23 1rpt h HIS 46 Ca 0.09 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.26 1rpt h HIS 46 Cb 0.71 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.18 1rpt h HIS 46 CO 0.06 0.07 -0.40 -0.92 0.86 0.00 0.00 177.93 177.59 1rpt h TYR 47 N 0.00 -1.04 -0.81 2.45 3.20 -0.63 -1.96 116.97 118.18 1rpt h TYR 47 Ca -0.00 -0.02 0.22 0.00 3.14 0.00 0.00 58.73 62.06 1rpt h TYR 47 Cb 0.91 0.34 -0.15 0.00 1.54 0.00 0.00 36.73 39.37 1rpt h TYR 47 CO 0.00 -0.65 -0.00 -1.91 -1.64 0.00 0.00 178.16 173.96 1rpt n GLU 48 N -5.10 -0.07 -0.08 1.82 0.00 -0.76 0.14 120.64 116.61 1rpt n GLU 48 Ca -0.14 1.22 -0.10 0.00 0.00 0.00 0.00 57.16 58.14 1rpt n GLU 48 Cb 0.44 -1.92 -0.03 0.00 0.00 0.00 0.00 31.44 29.93 1rpt n GLU 48 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1rpt h LEU 49 N 0.00 0.35 0.25 4.31 3.38 -1.20 -0.86 115.31 121.55 1rpt h LEU 49 Ca 0.48 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.32 1rpt h LEU 49 Cb 0.97 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 1rpt h LEU 49 CO -0.77 0.39 -0.30 1.23 0.09 0.00 0.00 178.44 179.08 1rpt h GLY 50 N 0.29 -0.66 0.28 0.83 0.00 0.48 0.50 103.07 104.80 1rpt h GLY 50 Ca 0.09 0.35 0.09 0.00 0.00 0.00 0.00 47.33 47.86 1rpt h GLY 50 CO -0.01 -0.26 0.05 1.76 0.00 0.00 0.00 176.54 178.08 1rpt h SER 51 N -0.60 -0.10 0.85 0.19 0.02 -1.19 0.25 113.55 112.97 1rpt h SER 51 Ca -0.00 0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 61.01 1rpt h SER 51 Cb 0.57 0.16 0.01 0.00 0.14 0.00 0.00 62.40 63.28 1rpt h SER 51 CO -0.09 -0.02 -0.41 0.22 -1.14 0.00 0.00 176.83 175.38 1rpt h TYR 52 N 0.17 -1.06 -0.87 3.45 3.20 0.05 -0.95 116.97 120.96 1rpt h TYR 52 Ca 0.24 -0.03 0.20 0.00 3.14 0.00 0.00 58.73 62.29 1rpt h TYR 52 Cb 0.35 0.35 -0.06 0.00 1.54 0.00 0.00 36.73 38.91 1rpt h TYR 52 CO -0.27 -0.66 0.58 0.82 -1.64 0.00 0.00 178.16 177.00 1rpt h ILE 53 N -1.28 0.67 -0.29 1.81 2.04 0.78 0.23 117.51 121.47 1rpt h ILE 53 Ca -0.12 -0.11 -0.09 0.00 1.00 0.00 0.00 64.86 65.55 1rpt h ILE 53 Cb 0.88 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1rpt h ILE 53 CO 0.19 0.06 -0.17 -0.09 0.00 0.00 0.00 178.15 178.14 1rpt h ARG 54 N 0.32 0.62 -0.12 2.37 2.43 -0.37 0.25 114.38 119.87 1rpt h ARG 54 Ca 0.44 -0.28 -0.15 0.00 -0.81 0.00 0.00 59.98 59.18 1rpt h ARG 54 Cb 1.22 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 1rpt h ARG 54 CO -0.13 0.87 -0.56 -0.09 -1.51 0.00 0.00 179.97 178.54 1rpt h ARG 55 N 0.36 0.36 0.00 0.20 2.43 0.03 -2.10 114.38 115.67 1rpt h ARG 55 Ca 0.06 -0.23 -0.20 0.00 -0.81 0.00 0.00 59.98 58.80 1rpt h ARG 55 Cb 0.69 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.24 1rpt h ARG 55 CO 0.05 0.83 -1.15 -0.09 -1.51 0.00 0.00 179.97 178.10 1rpt h ARG 56 N 0.28 0.00 -0.91 0.20 2.43 -0.44 -3.36 114.38 112.58 1rpt h ARG 56 Ca 0.00 0.00 -0.58 0.00 -0.81 0.00 0.00 59.98 58.59 1rpt h ARG 56 Cb 1.07 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 30.22 1rpt h ARG 56 CO 0.09 0.63 -0.52 0.66 -1.51 0.00 0.00 179.97 179.32 1rpt n TYR 57 N -3.16 2.90 0.09 2.20 4.01 0.85 -4.80 117.16 119.26 1rpt n TYR 57 Ca -0.06 -2.45 -0.08 0.00 -0.16 0.00 0.00 57.90 55.16 1rpt n TYR 57 Cb 0.90 -0.49 -0.05 0.00 -0.31 0.00 0.00 39.34 39.40 1rpt n TYR 57 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1rpt h GLY 58 N 2.22 -1.10 1.00 2.72 0.00 -1.53 -1.03 103.07 105.36 1rpt h GLY 58 Ca 0.40 0.52 -0.08 0.00 0.00 0.00 0.00 47.33 48.18 1rpt h GLY 58 CO 0.91 -0.35 0.01 3.21 0.00 0.00 0.00 176.54 180.32 1rpt h ARG 59 N -0.40 0.86 -0.91 4.80 3.08 -1.87 0.97 114.38 120.90 1rpt h ARG 59 Ca -0.01 -0.27 0.14 0.00 0.07 0.00 0.00 59.98 59.91 1rpt h ARG 59 Cb 0.38 -0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.27 1rpt h ARG 59 CO -0.09 0.89 0.58 0.35 -1.07 0.00 0.00 179.97 180.64 1rpt h PHE 60 N 0.72 0.87 -0.57 3.04 3.57 -1.84 -1.53 116.94 121.21 1rpt h PHE 60 Ca 0.14 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1rpt h PHE 60 Cb 0.50 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.96 1rpt h PHE 60 CO 0.04 0.32 0.00 1.28 -2.23 0.00 0.00 178.31 177.72 1rpt n LEU 61 N -4.58 3.54 -2.82 0.59 4.77 -0.41 -4.94 117.00 113.15 1rpt n LEU 61 Ca 0.18 -1.94 -0.17 0.00 -0.03 0.00 0.00 56.01 54.05 1rpt n LEU 61 Cb 0.46 -0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1rpt n LEU 61 CO 0.29 0.87 -0.06 -3.20 -1.33 0.00 0.00 177.39 173.96 1rpt n ASN 62 N 1.24 -0.99 -2.31 -1.43 5.15 0.25 -1.49 115.26 115.69 1rpt n ASN 62 Ca 0.19 -0.34 -0.02 0.00 -0.60 0.00 0.00 54.58 53.81 1rpt n ASN 62 Cb 0.55 -0.90 -0.00 0.00 -0.53 0.00 0.00 39.78 38.90 1rpt n ASN 62 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1rpt n ASN 63 N -1.22 -1.35 -4.05 1.20 4.13 -1.09 -4.91 115.26 107.97 1rpt n ASN 63 Ca 0.05 0.40 -0.30 0.00 1.68 0.00 0.00 54.58 56.41 1rpt n ASN 63 Cb 0.31 -1.32 -0.17 0.00 -1.54 0.00 0.00 39.78 37.07 1rpt n ASN 63 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1rpt s SER 64 N -1.90 2.62 -1.26 6.41 1.04 -0.55 -4.88 113.70 115.18 1rpt s SER 64 Ca 0.00 -0.47 -0.18 0.00 0.48 0.00 0.00 55.95 55.78 1rpt s SER 64 Cb 0.00 -1.17 0.08 0.00 0.10 0.00 0.00 66.02 65.03 1rpt s SER 64 CO 0.00 -0.02 1.68 -0.47 0.98 0.00 0.00 173.24 175.41 1rpt s TYR 65 N 1.23 2.84 -0.72 5.02 5.04 -1.26 -4.95 117.35 124.55 1rpt s TYR 65 Ca -0.01 -1.61 -0.17 0.00 -2.44 0.00 0.00 57.07 52.84 1rpt s TYR 65 Cb -0.14 -4.70 0.15 0.00 0.35 0.00 0.00 41.96 37.61 1rpt s TYR 65 CO -0.06 -1.77 0.78 0.15 -1.34 0.00 0.00 175.55 173.31 1rpt s LYS 66 N 4.00 3.31 0.00 4.97 1.02 -1.26 -4.94 119.74 126.84 1rpt s LYS 66 Ca 0.52 -1.78 0.00 0.00 0.02 0.00 0.00 55.97 54.73 1rpt s LYS 66 Cb 0.03 -4.44 0.00 0.00 -0.52 0.00 0.00 37.83 32.89 1rpt s LYS 66 CO 0.05 -1.49 0.00 -2.39 -0.92 0.00 0.00 175.35 170.60 1rpt n HIS 67 N 5.57 0.00 -0.02 3.18 1.44 -1.26 0.39 115.22 124.52 1rpt n HIS 67 Ca 0.03 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.81 1rpt n HIS 67 Cb 0.45 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.42 1rpt n HIS 67 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 1rpt n ASP 68 N -0.00 0.90 -0.09 4.39 5.75 -1.26 -4.52 116.55 121.71 1rpt n ASP 68 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 54.79 54.60 1rpt n ASP 68 Cb 0.00 1.72 -0.12 0.00 -1.03 0.00 0.00 41.12 41.69 1rpt n ASP 68 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 1rpt h GLN 69 N 0.00 0.00 -6.30 0.11 4.20 -0.31 -3.38 115.11 109.43 1rpt h GLN 69 Ca -0.05 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.10 1rpt h GLN 69 Cb 0.95 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.70 1rpt h GLN 69 CO 0.00 0.98 -0.07 0.08 -0.67 0.00 0.00 178.83 179.16 1rpt s VAL 70 N -2.30 4.82 -0.14 -0.54 1.01 -1.24 0.21 120.40 122.22 1rpt s VAL 70 Ca -0.25 0.93 -0.04 0.00 0.00 0.00 0.00 61.98 62.63 1rpt s VAL 70 Cb 0.02 -3.77 0.05 0.00 0.00 0.00 0.00 36.38 32.68 1rpt s VAL 70 CO 0.62 0.32 0.07 -0.47 0.00 0.00 0.00 175.10 175.64 1rpt s TYR 71 N -1.38 0.32 0.19 5.22 5.04 -0.63 -4.80 117.35 121.33 1rpt s TYR 71 Ca 0.36 -0.26 0.03 0.00 -2.44 0.00 0.00 57.07 54.75 1rpt s TYR 71 Cb -0.16 -0.70 -0.03 0.00 0.35 0.00 0.00 41.96 41.41 1rpt s TYR 71 CO 0.19 -0.45 0.33 0.42 -1.34 0.00 0.00 175.55 174.71 1rpt s ILE 72 N 2.09 5.28 0.02 3.14 1.09 -1.26 -0.42 121.20 131.14 1rpt s ILE 72 Ca 0.02 -0.72 -0.11 0.00 -1.10 0.00 0.00 60.65 58.74 1rpt s ILE 72 Cb -0.15 -3.78 0.01 0.00 -1.06 0.00 0.00 42.46 37.48 1rpt s ILE 72 CO -0.07 -0.20 0.23 -0.60 -0.10 0.00 0.00 174.94 174.20 1rpt s ARG 73 N -3.52 0.66 0.16 2.79 3.00 -1.25 -3.82 118.95 116.97 1rpt s ARG 73 Ca 0.35 -0.45 -0.09 0.00 -1.00 0.00 0.00 55.73 54.54 1rpt s ARG 73 Cb -0.10 0.28 -0.01 0.00 0.00 0.00 0.00 34.95 35.12 1rpt s ARG 73 CO 0.29 -0.19 0.28 0.45 0.00 0.00 0.00 175.30 176.13 1rpt s SER 74 N -1.74 0.04 -0.00 -2.12 0.15 -0.76 -1.57 113.70 107.70 1rpt s SER 74 Ca -0.09 -0.87 -0.16 0.00 0.70 0.00 0.00 55.95 55.52 1rpt s SER 74 Cb -0.03 0.43 -0.06 0.00 -1.71 0.00 0.00 66.02 64.65 1rpt s SER 74 CO -0.01 -0.89 0.46 0.42 1.20 0.00 0.00 173.24 174.42 1rpt s THR 75 N -3.97 4.99 -1.16 6.45 -4.23 -1.17 -4.43 115.64 112.13 1rpt s THR 75 Ca 0.17 0.95 -0.23 0.00 -1.18 0.00 0.00 61.69 61.39 1rpt s THR 75 Cb 0.03 -3.77 -0.10 0.00 1.34 0.00 0.00 72.50 70.00 1rpt s THR 75 CO -0.00 0.53 1.96 -0.62 -0.54 0.00 0.00 174.62 175.95 1rpt s ASP 76 N -0.78 4.82 0.03 3.99 2.15 -1.25 -4.37 116.67 121.26 1rpt s ASP 76 Ca 0.25 -1.52 0.00 0.00 0.43 0.00 0.00 52.55 51.71 1rpt s ASP 76 Cb -0.17 -2.59 -0.02 0.00 -0.30 0.00 0.00 42.92 39.84 1rpt s ASP 76 CO 0.14 -3.29 -0.04 -0.69 -0.17 0.00 0.00 175.17 171.13 1rpt s VAL 77 N 11.77 0.19 0.04 1.11 1.01 -1.26 -4.64 120.40 128.62 1rpt s VAL 77 Ca 0.70 -1.03 -0.29 0.00 0.00 0.00 0.00 61.98 61.36 1rpt s VAL 77 Cb -0.02 -0.44 -0.17 0.00 0.00 0.00 0.00 36.38 35.75 1rpt s VAL 77 CO 0.13 -0.53 1.38 0.44 0.00 0.00 0.00 175.10 176.51 1rpt h ASP 78 N 4.47 -0.65 -1.01 3.32 5.19 -1.93 -1.66 116.42 124.15 1rpt h ASP 78 Ca -0.33 -0.03 0.26 0.00 -0.62 0.00 0.00 57.03 56.31 1rpt h ASP 78 Cb 1.20 0.17 -0.07 0.00 0.18 0.00 0.00 39.33 40.81 1rpt h ASP 78 CO 0.44 -0.35 0.67 0.08 -3.12 0.00 0.00 179.24 176.96 1rpt h ARG 79 N -0.95 0.30 0.00 3.56 0.11 -1.96 0.12 114.38 115.56 1rpt h ARG 79 Ca -0.08 -0.02 -0.09 0.00 0.10 0.00 0.00 59.98 59.90 1rpt h ARG 79 Cb 0.65 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 31.65 1rpt h ARG 79 CO 0.13 0.20 -0.44 1.79 0.10 0.00 0.00 179.97 181.74 1rpt h THR 80 N 0.31 0.68 0.01 0.08 1.35 -1.75 -1.84 112.91 111.74 1rpt h THR 80 Ca 0.54 -1.97 -0.00 0.00 -0.55 0.00 0.00 66.41 64.42 1rpt h THR 80 Cb 1.53 2.33 0.00 0.00 -1.73 0.00 0.00 68.15 70.27 1rpt h THR 80 CO -0.19 0.39 -0.00 -0.07 -0.25 0.00 0.00 175.52 175.39 1rpt h LEU 81 N 0.00 -0.01 -1.41 3.87 4.07 0.12 -3.06 115.31 118.88 1rpt h LEU 81 Ca -0.01 -0.77 -0.06 0.00 0.08 0.00 0.00 57.88 57.12 1rpt h LEU 81 Cb 1.32 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.05 1rpt h LEU 81 CO 0.05 0.78 -0.29 0.24 -1.08 0.00 0.00 178.44 178.14 1rpt h MET 82 N -0.81 0.00 0.00 1.13 2.86 -1.18 -1.96 114.93 114.98 1rpt h MET 82 Ca -0.00 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.55 1rpt h MET 82 Cb 0.78 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.43 1rpt h MET 82 CO 0.00 0.29 -0.41 0.77 1.06 0.00 0.00 176.91 178.63 1rpt h SER 83 N 0.00 0.00 0.60 1.22 0.02 -1.28 -2.03 113.55 112.08 1rpt h SER 83 Ca -0.00 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.67 1rpt h SER 83 Cb 0.57 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.11 1rpt h SER 83 CO 0.04 0.41 -1.32 0.00 -1.14 0.00 0.00 176.83 174.81 1rpt h ALA 84 N 1.59 0.18 0.18 3.77 0.00 -1.26 -2.89 119.26 120.83 1rpt h ALA 84 Ca -0.00 -0.97 -0.01 0.00 0.00 0.00 0.00 54.91 53.93 1rpt h ALA 84 Cb 0.84 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1rpt h ALA 84 CO 0.05 1.06 -0.08 0.52 0.00 0.00 0.00 179.25 180.80 1rpt h MET 85 N 0.07 -0.23 -0.68 0.00 2.86 -1.44 0.76 114.93 116.26 1rpt h MET 85 Ca -0.16 0.02 0.11 0.00 -2.06 0.00 0.00 59.70 57.61 1rpt h MET 85 Cb 1.97 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 33.64 1rpt h MET 85 CO 0.18 0.12 0.46 1.15 1.06 0.00 0.00 176.91 179.88 1rpt h THR 86 N -0.61 0.87 0.59 2.22 2.02 -1.44 -0.37 112.91 116.19 1rpt h THR 86 Ca -0.02 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 1rpt h THR 86 Cb 0.45 0.36 0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1rpt h THR 86 CO 0.04 0.09 -0.28 -1.13 0.37 0.00 0.00 175.52 174.60 1rpt h ASN 87 N 0.47 -0.67 -0.82 4.18 -0.00 -1.29 -2.38 115.58 115.08 1rpt h ASN 87 Ca 0.32 -0.03 0.19 0.00 -0.00 0.00 0.00 56.30 56.78 1rpt h ASN 87 Cb 0.63 0.17 -0.05 0.00 -0.00 0.00 0.00 38.32 39.07 1rpt h ASN 87 CO -0.10 -0.35 0.55 -0.07 -0.00 0.00 0.00 177.43 177.46 1rpt h LEU 88 N -1.00 0.32 -0.60 0.34 3.38 0.73 -2.09 115.31 116.39 1rpt h LEU 88 Ca -0.08 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1rpt h LEU 88 Cb 0.66 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1rpt h LEU 88 CO 0.13 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.81 1rpt n ALA 89 N -2.55 2.02 -0.14 1.53 0.00 -0.40 -0.04 120.51 120.93 1rpt n ALA 89 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1rpt n ALA 89 Cb 0.66 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.11 1rpt n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rpt n ALA 90 N -0.09 0.00 0.04 0.00 0.00 -0.90 -4.81 120.51 114.75 1rpt n ALA 90 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1rpt n ALA 90 Cb 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.46 1rpt n ALA 90 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1rpt h LEU 91 N 0.00 -0.13 -6.15 0.00 6.46 0.20 -3.36 115.31 112.33 1rpt h LEU 91 Ca 0.00 -0.42 -0.67 0.00 -0.12 0.00 0.00 57.88 56.68 1rpt h LEU 91 Cb 0.00 0.03 -0.37 0.00 -0.73 0.00 0.00 40.66 39.59 1rpt h LEU 91 CO 0.00 0.40 -0.13 0.49 -0.62 0.00 0.00 178.44 178.58 1rpt n PHE 92 N -4.91 3.34 -2.06 1.25 3.72 -0.40 -4.68 117.46 113.72 1rpt n PHE 92 Ca -0.08 -3.60 -0.35 0.00 -0.05 0.00 0.00 57.45 53.36 1rpt n PHE 92 Cb 0.27 -0.76 0.02 0.00 -0.94 0.00 0.00 39.48 38.07 1rpt n PHE 92 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1rpt s PRO 93 N -2.98 3.09 0.26 -1.08 0.04 -1.26 -4.68 135.00 128.39 1rpt s PRO 93 Ca 0.40 1.64 -0.29 0.00 0.04 0.00 0.00 61.00 62.78 1rpt s PRO 93 Cb 0.16 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.64 1rpt s PRO 93 CO -0.03 -1.06 1.24 -1.25 0.04 0.00 0.00 177.00 175.94 1rpt s PRO 94 N -3.47 4.46 -0.03 0.56 0.04 -1.26 -4.99 135.00 130.31 1rpt s PRO 94 Ca 0.73 2.01 0.02 0.00 0.04 0.00 0.00 61.00 63.81 1rpt s PRO 94 Cb -0.25 -3.16 0.01 0.00 0.04 0.00 0.00 34.50 31.13 1rpt s PRO 94 CO 0.32 -0.09 -0.08 -1.21 0.04 0.00 0.00 177.00 175.98 1rpt s GLU 95 N -1.01 0.96 1.08 4.56 2.02 -1.26 -4.72 118.70 120.34 1rpt s GLU 95 Ca 0.50 -0.27 0.00 0.00 0.02 0.00 0.00 54.97 55.22 1rpt s GLU 95 Cb -0.36 -0.90 0.00 0.00 0.10 0.00 0.00 34.13 32.98 1rpt s GLU 95 CO 0.43 0.07 0.00 0.41 0.02 0.00 0.00 175.26 176.20 1rpt n GLY 96 N 3.44 0.92 0.33 -1.39 0.00 -1.26 -2.01 105.19 105.22 1rpt n GLY 96 Ca -0.20 0.73 0.21 0.00 0.00 0.00 0.00 46.02 46.77 1rpt n GLY 96 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1rpt h ASN 97 N 0.00 -0.11 -0.58 1.61 -0.73 -2.04 -0.14 115.58 113.59 1rpt h ASN 97 Ca 0.00 0.26 0.00 0.00 1.87 0.00 0.00 56.30 58.43 1rpt h ASN 97 Cb 0.00 0.37 0.00 0.00 0.27 0.00 0.00 38.32 38.96 1rpt h ASN 97 CO 0.00 -0.35 0.00 -0.24 -0.37 0.00 0.00 177.43 176.47 1rpt n SER 98 N -5.36 4.15 -4.77 1.15 2.88 -0.85 -4.86 113.62 105.96 1rpt n SER 98 Ca 0.28 -2.29 -0.41 0.00 -1.33 0.00 0.00 58.87 55.12 1rpt n SER 98 Cb 0.94 -0.49 -0.01 0.00 -0.75 0.00 0.00 64.21 63.91 1rpt n SER 98 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1rpt s ILE 99 N -1.55 2.10 -0.05 2.46 1.01 -0.07 -4.81 121.20 120.30 1rpt s ILE 99 Ca 0.45 0.10 -0.01 0.00 0.00 0.00 0.00 60.65 61.18 1rpt s ILE 99 Cb 0.27 -3.06 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 1rpt s ILE 99 CO 0.24 0.02 -0.05 -2.67 0.00 0.00 0.00 174.94 172.48 1rpt n TRP 100 N 1.25 0.00 -4.00 3.97 4.27 -1.26 -4.96 117.44 116.71 1rpt n TRP 100 Ca 0.04 0.00 -0.34 0.00 -3.89 0.00 0.00 57.50 53.31 1rpt n TRP 100 Cb 0.39 -0.19 -0.15 0.00 -1.36 0.00 0.00 31.31 30.00 1rpt n TRP 100 CO 0.00 0.00 0.00 1.21 -2.29 0.00 0.00 177.69 176.61 1rpt s ASN 101 N -4.91 3.85 0.00 -0.67 3.84 -1.26 -5.00 114.94 110.79 1rpt s ASN 101 Ca -0.07 -0.60 0.26 0.00 0.21 0.00 0.00 52.86 52.66 1rpt s ASN 101 Cb 0.02 -1.62 1.32 0.00 -0.55 0.00 0.00 41.25 40.42 1rpt s ASN 101 CO 0.10 -0.04 1.88 -2.65 -2.79 0.00 0.00 177.10 173.61 1rpt n PRO 102 N 4.70 1.25 -1.04 0.43 -0.02 -1.26 -2.59 135.00 136.47 1rpt n PRO 102 Ca -0.19 -0.37 -0.15 0.00 -2.02 0.00 0.00 63.50 60.78 1rpt n PRO 102 Cb 0.50 -1.42 0.19 0.00 -0.02 0.00 0.00 33.50 32.74 1rpt n PRO 102 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1rpt n ARG 103 N -0.50 2.06 -3.10 -0.52 1.74 -1.26 -4.84 116.66 110.25 1rpt n ARG 103 Ca 0.19 -3.12 0.02 0.00 -0.77 0.00 0.00 57.85 54.17 1rpt n ARG 103 Cb 0.18 -2.01 -0.00 0.00 -1.02 0.00 0.00 32.46 29.61 1rpt n ARG 103 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1rpt s LEU 104 N -3.29 -1.20 -1.28 0.55 2.96 -1.07 -5.03 118.68 110.32 1rpt s LEU 104 Ca 0.51 -0.43 -0.08 0.00 -0.22 0.00 0.00 54.13 53.91 1rpt s LEU 104 Cb 0.45 1.58 0.17 0.00 0.50 0.00 0.00 46.19 48.88 1rpt s LEU 104 CO 0.05 -0.15 2.00 0.18 -1.32 0.00 0.00 176.35 177.10 1rpt n LEU 105 N 4.46 7.06 -3.74 -0.68 4.32 -1.26 -4.57 117.00 122.59 1rpt n LEU 105 Ca 0.09 -4.76 -0.13 0.00 -0.02 0.00 0.00 56.01 51.19 1rpt n LEU 105 Cb 0.58 -1.43 -0.13 0.00 -1.62 0.00 0.00 43.42 40.82 1rpt n LEU 105 CO -0.04 1.61 -0.16 0.86 -1.22 0.00 0.00 177.39 178.43 1rpt s TRP 106 N -0.33 -0.26 -0.09 -1.77 -0.00 -1.26 -4.41 118.94 110.82 1rpt s TRP 106 Ca 0.43 0.66 -0.11 0.00 -0.00 0.00 0.00 56.10 57.07 1rpt s TRP 106 Cb 0.12 0.00 -0.05 0.00 -0.00 0.00 0.00 33.47 33.55 1rpt s TRP 106 CO -0.02 -0.20 0.27 -0.65 -0.00 0.00 0.00 176.95 176.35 1rpt s GLN 107 N 1.13 3.82 0.57 5.86 -0.21 -1.26 -4.91 119.66 124.65 1rpt s GLN 107 Ca -0.08 0.11 -0.21 0.00 0.02 0.00 0.00 55.36 55.19 1rpt s GLN 107 Cb -0.10 -3.26 -0.04 0.00 1.00 0.00 0.00 33.01 30.61 1rpt s GLN 107 CO -0.07 0.61 1.36 -1.25 -2.12 0.00 0.00 175.29 173.82 1rpt s PRO 108 N -0.67 3.02 -0.12 2.91 0.04 -1.26 -4.99 135.00 133.92 1rpt s PRO 108 Ca 0.18 2.23 -0.07 0.00 0.04 0.00 0.00 61.00 63.38 1rpt s PRO 108 Cb -0.14 -2.19 0.05 0.00 0.04 0.00 0.00 34.50 32.26 1rpt s PRO 108 CO 0.07 -1.28 0.30 0.42 0.04 0.00 0.00 177.00 176.55 1rpt s ILE 109 N -1.31 -0.03 -0.22 0.56 1.01 -1.26 -5.15 121.20 114.80 1rpt s ILE 109 Ca 0.74 0.12 -0.24 0.00 0.00 0.00 0.00 60.65 61.26 1rpt s ILE 109 Cb -0.40 -0.45 -0.01 0.00 0.01 0.00 0.00 42.46 41.61 1rpt s ILE 109 CO 0.47 0.05 0.80 -2.16 0.00 0.00 0.00 174.94 174.09 1rpt s PRO 110 N 1.19 4.20 -0.39 2.79 0.04 -1.26 -5.02 135.00 136.55 1rpt s PRO 110 Ca -0.08 0.90 -0.25 0.00 0.04 0.00 0.00 61.00 61.61 1rpt s PRO 110 Cb -0.09 -3.63 0.02 0.00 0.04 0.00 0.00 34.50 30.84 1rpt s PRO 110 CO -0.09 -0.45 0.87 0.08 0.04 0.00 0.00 177.00 177.45 1rpt s VAL 111 N 2.59 4.62 -0.07 -0.36 1.01 -1.26 -4.50 120.40 122.43 1rpt s VAL 111 Ca 0.34 0.93 -0.26 0.00 0.00 0.00 0.00 61.98 62.99 1rpt s VAL 111 Cb -0.16 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.88 1rpt s VAL 111 CO 0.09 -0.58 0.82 -1.00 0.00 0.00 0.00 175.10 174.43 1rpt s HIS 112 N 3.39 3.57 0.00 5.22 3.76 -1.25 -4.93 115.29 125.05 1rpt s HIS 112 Ca 0.35 1.40 0.00 0.00 -0.15 0.00 0.00 55.06 56.66 1rpt s HIS 112 Cb -0.12 -2.96 0.00 0.00 1.11 0.00 0.00 32.58 30.61 1rpt s HIS 112 CO 0.20 -0.02 0.00 -2.37 -0.85 0.00 0.00 174.74 171.70 1rpt n THR 113 N 4.04 0.00 -3.87 1.30 5.66 -1.26 -1.82 114.28 118.33 1rpt n THR 113 Ca 0.02 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.93 1rpt n THR 113 Cb 0.51 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.22 1rpt n THR 113 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1rpt s VAL 114 N -0.58 0.12 0.30 1.08 1.01 -1.26 -4.95 120.40 116.12 1rpt s VAL 114 Ca 0.00 -1.19 -0.29 0.00 0.00 0.00 0.00 61.98 60.50 1rpt s VAL 114 Cb 0.00 -1.43 -0.10 0.00 0.00 0.00 0.00 36.38 34.85 1rpt s VAL 114 CO 0.00 -0.56 1.18 -0.94 0.00 0.00 0.00 175.10 174.78 1rpt s SER 115 N -2.88 7.08 0.22 3.32 1.04 -1.26 -3.90 113.70 117.32 1rpt s SER 115 Ca 0.07 2.42 -0.12 0.00 0.48 0.00 0.00 55.95 58.81 1rpt s SER 115 Cb 0.04 -2.63 0.30 0.00 0.10 0.00 0.00 66.02 63.82 1rpt s SER 115 CO -0.09 -0.29 1.38 0.18 0.98 0.00 0.00 173.24 175.40 1rpt n LEU 116 N 1.03 -0.47 0.06 2.42 4.32 -1.26 -0.32 117.00 122.78 1rpt n LEU 116 Ca -0.01 1.54 0.04 0.00 -0.02 0.00 0.00 56.01 57.56 1rpt n LEU 116 Cb 0.44 -0.40 0.23 0.00 -1.62 0.00 0.00 43.42 42.06 1rpt n LEU 116 CO 0.56 -1.42 0.64 -1.54 -1.22 0.00 0.00 177.39 174.40 1rpt n SER 117 N -5.36 0.20 -0.00 -1.43 3.41 -1.26 -1.27 113.62 107.91 1rpt n SER 117 Ca 0.11 0.59 0.03 0.00 -0.26 0.00 0.00 58.87 59.34 1rpt n SER 117 Cb 0.39 -0.62 -0.04 0.00 -0.26 0.00 0.00 64.21 63.68 1rpt n SER 117 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1rpt n GLU 118 N -1.77 3.61 -1.67 4.33 4.71 0.56 -5.02 120.64 125.39 1rpt n GLU 118 Ca -0.00 -0.02 -0.43 0.00 -0.01 0.00 0.00 57.16 56.71 1rpt n GLU 118 Cb 0.03 -0.91 -0.03 0.00 -1.01 0.00 0.00 31.44 29.52 1rpt n GLU 118 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1rpt s ASP 119 N -1.94 5.83 -0.28 1.62 -1.08 -0.39 -4.83 116.67 115.60 1rpt s ASP 119 Ca 0.01 2.10 0.08 0.00 -0.52 0.00 0.00 52.55 54.23 1rpt s ASP 119 Cb 0.05 -2.52 0.46 0.00 -1.46 0.00 0.00 42.92 39.45 1rpt s ASP 119 CO 0.29 -1.63 1.19 0.54 0.52 0.00 0.00 175.17 176.08 1rpt n ARG 120 N 8.30 3.26 0.00 4.34 1.74 -1.26 -4.61 116.66 128.43 1rpt n ARG 120 Ca 0.26 -4.02 0.00 0.00 -0.77 0.00 0.00 57.85 53.32 1rpt n ARG 120 Cb 0.44 -2.16 0.00 0.00 -1.02 0.00 0.00 32.46 29.72 1rpt n ARG 120 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1rpt n LEU 121 N -0.76 0.00 0.00 0.55 7.94 -1.26 -4.91 117.00 118.57 1rpt n LEU 121 Ca 0.39 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.29 1rpt n LEU 121 Cb 0.93 0.14 0.00 0.00 0.53 0.00 0.00 43.42 45.01 1rpt n LEU 121 CO 0.33 -0.42 0.01 0.18 -1.11 0.00 0.00 177.39 176.38 1rpt n LEU 122 N -2.33 0.02 -4.49 -1.96 4.77 -1.26 -4.60 117.00 107.15 1rpt n LEU 122 Ca 0.00 -0.38 -0.43 0.00 -0.03 0.00 0.00 56.01 55.17 1rpt n LEU 122 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1rpt n LEU 122 CO 0.00 0.01 1.23 -0.47 -1.33 0.00 0.00 177.39 176.83 1rpt s TYR 123 N -0.72 2.97 0.58 -1.77 5.04 -1.26 -4.55 117.35 117.64 1rpt s TYR 123 Ca 0.00 -1.33 0.02 0.00 -2.44 0.00 0.00 57.07 53.31 1rpt s TYR 123 Cb 0.00 -4.43 0.05 0.00 0.35 0.00 0.00 41.96 37.93 1rpt s TYR 123 CO 0.00 -1.63 0.81 -0.51 -1.34 0.00 0.00 175.55 172.88 1rpt s LEU 124 N 3.31 3.22 0.34 6.97 1.02 -1.26 -4.31 118.68 127.97 1rpt s LEU 124 Ca 0.39 -0.14 -0.27 0.00 0.02 0.00 0.00 54.13 54.13 1rpt s LEU 124 Cb -0.03 -2.62 -0.09 0.00 0.02 0.00 0.00 46.19 43.47 1rpt s LEU 124 CO -0.08 -1.28 1.13 -2.16 0.02 0.00 0.00 176.35 173.98 1rpt s PRO 125 N -4.82 4.35 0.00 1.29 0.04 -1.26 -4.82 135.00 129.78 1rpt s PRO 125 Ca 0.59 1.79 -0.00 0.00 0.04 0.00 0.00 61.00 63.42 1rpt s PRO 125 Cb -0.09 -2.90 -0.01 0.00 0.04 0.00 0.00 34.50 31.54 1rpt s PRO 125 CO 0.39 -0.05 1.25 1.19 0.04 0.00 0.00 177.00 179.82 1rpt n PHE 126 N 0.58 0.00 0.00 0.56 3.01 -1.26 -4.85 117.46 115.50 1rpt n PHE 126 Ca 0.02 -0.60 0.00 0.00 1.01 0.00 0.00 57.45 57.88 1rpt n PHE 126 Cb 0.46 -0.45 0.00 0.00 -0.01 0.00 0.00 39.48 39.48 1rpt n PHE 126 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1rpt n ARG 127 N 1.79 0.00 0.28 -1.08 1.74 -1.26 -2.29 116.66 115.84 1rpt n ARG 127 Ca 0.02 0.00 0.19 0.00 -0.77 0.00 0.00 57.85 57.29 1rpt n ARG 127 Cb 0.31 0.00 0.92 0.00 -1.02 0.00 0.00 32.46 32.67 1rpt n ARG 127 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 1rpt h ASP 128 N 0.00 0.00 -3.33 0.55 2.03 -2.01 -3.43 116.42 110.23 1rpt h ASP 128 Ca 0.00 0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 55.73 1rpt h ASP 128 Cb 0.00 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.44 1rpt h ASP 128 CO 0.00 0.00 1.00 0.00 -1.03 0.00 0.00 179.24 179.21 1rpt h PRO 130 N 9.87 -0.15 -0.64 0.00 0.11 -1.81 -2.61 132.00 136.78 1rpt h PRO 130 Ca -0.26 0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.93 1rpt h PRO 130 Cb 1.09 0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.20 1rpt h PRO 130 CO 1.08 -0.10 0.42 -0.09 -0.21 0.00 0.00 178.00 179.10 1rpt h ARG 131 N -0.16 0.58 -0.30 1.05 9.65 -0.82 0.36 114.38 124.73 1rpt h ARG 131 Ca 0.14 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 58.96 1rpt h ARG 131 Cb 0.36 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.80 1rpt h ARG 131 CO -0.34 0.39 0.12 0.35 2.80 0.00 0.00 179.97 183.29 1rpt h PHE 132 N 0.60 0.46 -0.55 2.20 3.57 -1.72 -0.41 116.94 121.09 1rpt h PHE 132 Ca 0.28 -0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.81 1rpt h PHE 132 Cb 0.32 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 1rpt h PHE 132 CO -0.00 0.44 0.37 1.96 -2.23 0.00 0.00 178.31 178.85 1rpt h GLN 133 N 0.34 0.47 -0.22 1.11 7.50 -0.18 -0.91 115.11 123.24 1rpt h GLN 133 Ca 0.10 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.22 1rpt h GLN 133 Cb 0.18 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 27.59 1rpt h GLN 133 CO -0.01 0.31 0.14 1.49 -1.50 0.00 0.00 178.83 179.26 1rpt h GLU 134 N 0.49 0.29 -0.35 1.46 4.81 -1.00 -2.81 114.58 117.46 1rpt h GLU 134 Ca 0.24 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.32 1rpt h GLU 134 Cb 0.32 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1rpt h GLU 134 CO -0.07 0.20 -0.30 -0.07 -0.73 0.00 0.00 179.01 178.04 1rpt h LEU 135 N 0.28 0.88 0.00 1.64 3.38 -0.27 -2.94 115.31 118.28 1rpt h LEU 135 Ca 0.08 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1rpt h LEU 135 Cb -0.02 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.49 1rpt h LEU 135 CO -0.02 1.15 0.00 2.29 0.09 0.00 0.00 178.44 181.95 1rpt n LYS 136 N -4.18 0.90 -0.12 1.13 -0.00 -0.42 -1.27 118.16 114.20 1rpt n LYS 136 Ca -0.03 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.07 1rpt n LYS 136 Cb 0.49 -1.35 -0.10 0.00 -0.00 0.00 0.00 35.03 34.07 1rpt n LYS 136 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1rpt n SER 137 N -0.85 2.01 0.20 -5.58 3.41 -1.08 -3.79 113.62 107.94 1rpt n SER 137 Ca 0.15 0.04 0.11 0.00 -0.26 0.00 0.00 58.87 58.92 1rpt n SER 137 Cb 0.07 -0.53 0.67 0.00 -0.26 0.00 0.00 64.21 64.17 1rpt n SER 137 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1rpt h GLU 138 N -0.36 0.00 0.39 4.33 5.08 -1.00 0.11 114.58 123.13 1rpt h GLU 138 Ca -0.58 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.76 1rpt h GLU 138 Cb 1.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.98 1rpt h GLU 138 CO -0.21 0.00 -0.19 1.15 -1.00 0.00 0.00 179.01 178.77 1rpt h THR 139 N 0.00 0.62 -0.82 1.13 2.02 -1.57 -2.14 112.91 112.15 1rpt h THR 139 Ca 0.06 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1rpt h THR 139 Cb 0.24 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 1rpt h THR 139 CO -0.00 0.01 0.48 -0.07 0.37 0.00 0.00 175.52 176.31 1rpt h LEU 140 N -0.56 1.00 -0.05 2.58 -0.00 -1.25 -0.45 115.31 116.58 1rpt h LEU 140 Ca -0.05 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.76 1rpt h LEU 140 Cb 0.42 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 40.83 1rpt h LEU 140 CO 0.09 0.78 0.00 0.11 -0.00 0.00 0.00 178.44 179.42 1rpt h LYS 141 N 1.14 0.00 -7.68 1.13 6.56 -0.89 -3.44 116.57 113.39 1rpt h LYS 141 Ca 0.29 0.00 -0.45 0.00 -1.06 0.00 0.00 60.65 59.43 1rpt h LYS 141 Cb -0.02 0.00 0.15 0.00 -0.57 0.00 0.00 32.23 31.79 1rpt h LYS 141 CO -0.05 0.00 0.35 -1.54 -2.06 0.00 0.00 179.45 176.15 1rpt s SER 142 N -5.48 3.21 0.00 0.86 1.04 -0.18 -4.92 113.70 108.23 1rpt s SER 142 Ca 0.08 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.52 1rpt s SER 142 Cb 0.08 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.15 1rpt s SER 142 CO 0.63 -2.65 0.32 1.21 0.98 0.00 0.00 173.24 173.73 1rpt n GLU 143 N -3.61 0.00 -0.21 4.02 0.00 -1.26 -1.72 120.64 117.86 1rpt n GLU 143 Ca 0.16 0.13 0.17 0.00 0.00 0.00 0.00 57.16 57.63 1rpt n GLU 143 Cb 0.60 -0.82 0.51 0.00 0.00 0.00 0.00 31.44 31.72 1rpt n GLU 143 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1rpt h GLU 144 N 0.00 0.40 0.51 5.31 4.39 -1.94 -0.28 114.58 122.97 1rpt h GLU 144 Ca 0.00 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 1rpt h GLU 144 Cb 0.00 -0.09 0.01 0.00 -0.10 0.00 0.00 28.75 28.56 1rpt h GLU 144 CO 0.00 0.27 -0.25 0.35 -1.16 0.00 0.00 179.01 178.22 1rpt h PHE 145 N 0.42 -0.64 -0.59 4.33 3.57 -1.80 -0.59 116.94 121.64 1rpt h PHE 145 Ca 0.43 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.98 1rpt h PHE 145 Cb 1.03 0.21 -0.06 0.00 2.79 0.00 0.00 35.95 39.92 1rpt h PHE 145 CO -0.00 -0.40 0.28 -0.07 -2.23 0.00 0.00 178.31 175.89 1rpt h LEU 146 N -0.98 0.37 -0.60 0.59 -0.00 -0.21 0.31 115.31 114.79 1rpt h LEU 146 Ca -0.07 0.05 0.10 0.00 -0.00 0.00 0.00 57.88 57.96 1rpt h LEU 146 Cb 0.53 -0.01 -0.08 0.00 -0.00 0.00 0.00 40.66 41.10 1rpt h LEU 146 CO 0.12 0.24 0.20 0.50 -0.00 0.00 0.00 178.44 179.49 1rpt h LYS 147 N 0.52 0.35 -0.03 1.13 1.63 -1.42 0.30 116.57 119.04 1rpt h LYS 147 Ca 0.28 -0.02 -0.16 0.00 -0.85 0.00 0.00 60.65 59.90 1rpt h LYS 147 Cb 0.25 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.79 1rpt h LYS 147 CO -0.22 0.23 -0.69 -0.09 -3.45 0.00 0.00 179.45 175.23 1rpt h ARG 148 N 0.36 0.15 0.00 1.90 2.43 0.92 -1.64 114.38 118.49 1rpt h ARG 148 Ca 0.31 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1rpt h ARG 148 Cb 0.41 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1rpt h ARG 148 CO -0.33 0.78 0.00 -0.11 -1.51 0.00 0.00 179.97 178.79 1rpt n LEU 149 N -3.78 0.00 -0.00 3.80 7.94 0.80 -4.25 117.00 121.51 1rpt n LEU 149 Ca -0.02 0.24 -0.18 0.00 -1.11 0.00 0.00 56.01 54.94 1rpt n LEU 149 Cb 0.67 -0.24 -0.09 0.00 0.53 0.00 0.00 43.42 44.30 1rpt n LEU 149 CO 0.45 -0.03 0.23 1.56 -1.11 0.00 0.00 177.39 178.49 1rpt h GLN 150 N 0.00 0.67 -0.88 1.96 7.50 0.53 -1.45 115.11 123.43 1rpt h GLN 150 Ca 0.00 -0.61 0.26 0.00 0.50 0.00 0.00 58.65 58.79 1rpt h GLN 150 Cb 0.21 0.15 -0.04 0.00 0.05 0.00 0.00 27.48 27.85 1rpt h GLN 150 CO 0.00 1.22 0.70 -1.00 -1.50 0.00 0.00 178.83 178.25 1rpt h PRO 151 N 0.33 0.00 0.01 1.46 0.13 -1.76 -2.84 132.00 129.33 1rpt h PRO 151 Ca -0.07 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.77 1rpt h PRO 151 Cb 1.43 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.52 1rpt h PRO 151 CO 0.16 0.00 -1.60 1.88 -0.23 0.00 0.00 178.00 178.21 1rpt h TYR 152 N 0.00 0.06 -0.54 1.56 0.05 -1.63 -3.38 116.97 113.10 1rpt h TYR 152 Ca 0.42 -0.04 0.21 0.00 0.05 0.00 0.00 58.73 59.37 1rpt h TYR 152 Cb 1.82 -0.00 -0.10 0.00 1.01 0.00 0.00 36.73 39.46 1rpt h TYR 152 CO 0.00 1.07 0.23 1.63 -1.05 0.00 0.00 178.16 180.04 1rpt n LYS 153 N -3.14 -0.03 0.32 4.88 4.76 -0.62 -0.59 118.16 123.74 1rpt n LYS 153 Ca -0.15 0.75 -0.17 0.00 -2.87 0.00 0.00 58.31 55.88 1rpt n LYS 153 Cb 1.03 -1.32 -0.09 0.00 -1.84 0.00 0.00 35.03 32.82 1rpt n LYS 153 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1rpt h SER 154 N 0.00 -0.68 -0.98 4.39 0.87 -1.83 -3.29 113.55 112.03 1rpt h SER 154 Ca 0.43 -0.01 0.11 0.00 -1.23 0.00 0.00 61.79 61.09 1rpt h SER 154 Cb 1.08 0.18 -0.08 0.00 -0.44 0.00 0.00 62.40 63.14 1rpt h SER 154 CO -0.43 -0.42 0.62 0.15 -0.53 0.00 0.00 176.83 176.22 1rpt h PHE 155 N -0.89 1.10 -0.32 2.24 3.57 -1.13 -1.45 116.94 120.06 1rpt h PHE 155 Ca -0.08 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.48 1rpt h PHE 155 Cb 0.65 -0.35 -0.06 0.00 2.79 0.00 0.00 35.95 38.98 1rpt h PHE 155 CO -0.02 0.46 -0.37 0.82 -2.23 0.00 0.00 178.31 176.97 1rpt h ILE 156 N 0.98 0.00 0.00 1.41 2.04 -1.59 -1.74 117.51 118.61 1rpt h ILE 156 Ca 0.48 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.34 1rpt h ILE 156 Cb 0.47 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1rpt h ILE 156 CO -0.24 0.00 0.22 0.47 0.00 0.00 0.00 178.15 178.60 1rpt n ASP 157 N -4.47 0.13 0.10 1.72 8.00 -0.55 -0.05 116.55 121.44 1rpt n ASP 157 Ca -0.02 0.41 -0.23 0.00 0.71 0.00 0.00 54.79 55.66 1rpt n ASP 157 Cb 0.22 -0.39 -0.15 0.00 -0.02 0.00 0.00 41.12 40.77 1rpt n ASP 157 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1rpt h THR 158 N 0.00 1.07 -0.78 -3.53 2.02 -1.36 -3.37 112.91 106.96 1rpt h THR 158 Ca 0.00 -2.59 0.04 0.00 0.77 0.00 0.00 66.41 64.63 1rpt h THR 158 Cb 0.44 2.87 -0.05 0.00 -1.74 0.00 0.00 68.15 69.68 1rpt h THR 158 CO 0.00 0.84 0.51 -0.07 0.37 0.00 0.00 175.52 177.18 1rpt h LEU 159 N 0.12 0.81 -1.71 2.58 3.38 -0.47 -1.77 115.31 118.24 1rpt h LEU 159 Ca -0.31 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1rpt h LEU 159 Cb 2.13 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.68 1rpt h LEU 159 CO 0.21 0.55 0.17 -0.65 0.09 0.00 0.00 178.44 178.81 1rpt h PRO 160 N 0.93 0.36 -0.04 1.13 0.11 -1.72 0.43 132.00 133.20 1rpt h PRO 160 Ca 0.32 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 66.23 1rpt h PRO 160 Cb 0.09 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 1rpt h PRO 160 CO -0.10 0.25 -0.73 0.77 -0.21 0.00 0.00 178.00 177.98 1rpt h SER 161 N 0.37 0.27 0.00 -2.05 0.02 -1.56 -3.04 113.55 107.57 1rpt h SER 161 Ca 0.10 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1rpt h SER 161 Cb -0.03 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.43 1rpt h SER 161 CO -0.02 0.91 0.00 0.18 -1.14 0.00 0.00 176.83 176.76 1rpt n LEU 162 N -3.77 0.09 0.05 5.07 4.77 0.12 -4.56 117.00 118.77 1rpt n LEU 162 Ca -0.03 0.74 -0.02 0.00 -0.03 0.00 0.00 56.01 56.67 1rpt n LEU 162 Cb 0.71 -0.47 -0.01 0.00 -2.33 0.00 0.00 43.42 41.32 1rpt n LEU 162 CO 0.46 -0.47 0.37 0.77 -1.33 0.00 0.00 177.39 177.19 1rpt h SER 163 N 0.00 -0.11 0.00 -1.43 4.64 -0.74 -3.43 113.55 112.48 1rpt h SER 163 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rpt h SER 163 Cb 0.00 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1rpt h SER 163 CO 0.00 -0.06 0.00 0.61 -0.87 0.00 0.00 176.83 176.51 1rpt n GLY 164 N -0.26 1.13 3.01 -0.77 0.00 -1.15 -1.62 105.19 105.54 1rpt n GLY 164 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 1rpt n GLY 164 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1rpt s PHE 165 N -1.13 -0.17 -2.04 1.61 -0.12 -1.26 -4.63 117.98 110.24 1rpt s PHE 165 Ca 0.00 0.42 0.30 0.00 -0.05 0.00 0.00 56.93 57.60 1rpt s PHE 165 Cb 0.00 0.04 1.73 0.00 -0.63 0.00 0.00 43.02 44.15 1rpt s PHE 165 CO 0.00 -0.10 2.12 0.39 -0.05 0.00 0.00 175.22 177.58 1rpt n GLU 166 N 3.21 1.06 -2.88 1.99 1.02 -1.26 -4.48 120.64 119.30 1rpt n GLU 166 Ca -0.15 -0.08 -0.40 0.00 -0.02 0.00 0.00 57.16 56.51 1rpt n GLU 166 Cb 0.58 -1.47 -0.05 0.00 -0.02 0.00 0.00 31.44 30.48 1rpt n GLU 166 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1rpt s ASP 167 N -1.94 7.37 -0.01 1.62 2.15 -1.26 -4.94 116.67 119.66 1rpt s ASP 167 Ca 0.44 1.63 -0.13 0.00 0.43 0.00 0.00 52.55 54.93 1rpt s ASP 167 Cb 0.21 -2.52 -0.33 0.00 -0.30 0.00 0.00 42.92 39.97 1rpt s ASP 167 CO 0.34 0.02 0.83 1.56 -0.17 0.00 0.00 175.17 177.76 1rpt h GLN 168 N 5.34 0.45 -6.34 4.34 1.08 -1.99 -3.46 115.11 114.54 1rpt h GLN 168 Ca -0.44 -0.77 -0.63 0.00 -1.45 0.00 0.00 58.65 55.36 1rpt h GLN 168 Cb 1.21 0.29 0.10 0.00 -0.05 0.00 0.00 27.48 29.03 1rpt h GLN 168 CO 0.70 1.37 0.03 -3.47 -0.95 0.00 0.00 178.83 176.51 1rpt n ASP 169 N -3.64 0.79 0.27 1.46 -0.08 -1.26 -4.82 116.55 109.27 1rpt n ASP 169 Ca -0.21 1.16 0.11 0.00 -1.51 0.00 0.00 54.79 54.34 1rpt n ASP 169 Cb 1.09 -1.20 0.74 0.00 2.34 0.00 0.00 41.12 44.09 1rpt n ASP 169 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1rpt h LEU 170 N 2.13 0.00 0.24 -2.67 3.38 -1.94 -2.38 115.31 114.07 1rpt h LEU 170 Ca -0.38 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 1rpt h LEU 170 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1rpt h LEU 170 CO 0.62 0.06 -0.12 0.15 0.09 0.00 0.00 178.44 179.25 1rpt h PHE 171 N 0.00 -0.30 0.00 1.13 3.57 -1.92 0.25 116.94 119.66 1rpt h PHE 171 Ca -0.00 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1rpt h PHE 171 Cb 0.14 0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.98 1rpt h PHE 171 CO 0.00 0.06 -0.10 0.93 -2.23 0.00 0.00 178.31 176.97 1rpt h GLU 172 N -0.75 0.00 -0.55 1.11 4.39 -1.90 0.23 114.58 117.12 1rpt h GLU 172 Ca -0.03 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 1rpt h GLU 172 Cb 0.50 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 1rpt h GLU 172 CO 0.06 0.10 0.15 0.82 -1.16 0.00 0.00 179.01 178.97 1rpt h ILE 173 N 0.00 1.24 0.56 3.13 1.08 -1.09 1.00 117.51 123.43 1rpt h ILE 173 Ca -0.00 -0.85 -0.03 0.00 -0.39 0.00 0.00 64.86 63.60 1rpt h ILE 173 Cb 0.19 0.75 0.01 0.00 -3.07 0.00 0.00 36.82 34.69 1rpt h ILE 173 CO 0.01 0.31 -0.27 -0.25 -0.69 0.00 0.00 178.15 177.26 1rpt h TRP 174 N 0.77 -0.70 0.13 1.37 7.01 0.18 0.18 115.95 124.89 1rpt h TRP 174 Ca 0.17 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.15 1rpt h TRP 174 Cb 0.32 0.23 0.00 0.00 -2.10 0.00 0.00 29.16 27.61 1rpt h TRP 174 CO 0.02 -0.37 -0.06 0.77 -2.79 0.00 0.00 178.44 176.01 1rpt h SER 175 N -0.98 -0.15 0.92 2.65 0.02 -0.47 0.01 113.55 115.55 1rpt h SER 175 Ca -0.08 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1rpt h SER 175 Cb 0.64 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.22 1rpt h SER 175 CO 0.13 0.30 0.00 -0.09 -1.14 0.00 0.00 176.83 176.03 1rpt h ARG 176 N -0.99 0.00 0.00 3.45 2.43 0.89 -3.31 114.38 116.85 1rpt h ARG 176 Ca -0.02 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1rpt h ARG 176 Cb 0.13 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1rpt h ARG 176 CO 0.03 0.00 -0.67 -0.11 -1.51 0.00 0.00 179.97 177.71 1rpt n LEU 177 N -2.42 0.45 0.29 3.80 0.00 -0.66 -1.84 117.00 116.61 1rpt n LEU 177 Ca 0.02 0.06 -0.16 0.00 0.00 0.00 0.00 56.01 55.93 1rpt n LEU 177 Cb 0.28 -0.14 -0.08 0.00 0.00 0.00 0.00 43.42 43.48 1rpt n LEU 177 CO 0.23 -0.26 0.58 0.22 0.00 0.00 0.00 177.39 178.16 1rpt h TYR 178 N -0.03 -0.69 0.00 1.96 3.20 0.11 -3.02 116.97 118.50 1rpt h TYR 178 Ca -0.01 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1rpt h TYR 178 Cb 0.66 0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.15 1rpt h TYR 178 CO -0.01 -0.37 0.00 -3.47 -1.64 0.00 0.00 178.16 172.67 1rpt n ASP 179 N -5.35 0.00 -0.33 -2.11 -0.08 -0.19 -0.06 116.55 108.43 1rpt n ASP 179 Ca -0.12 0.95 0.35 0.00 -1.51 0.00 0.00 54.79 54.46 1rpt n ASP 179 Cb 0.33 -0.45 0.73 0.00 2.34 0.00 0.00 41.12 44.07 1rpt n ASP 179 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1rpt h PRO 180 N 0.00 0.03 0.13 -0.67 0.13 -1.72 0.35 132.00 130.26 1rpt h PRO 180 Ca 0.00 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1rpt h PRO 180 Cb 0.00 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.12 1rpt h PRO 180 CO 0.00 0.02 -0.06 -0.07 -0.23 0.00 0.00 178.00 177.66 1rpt h LEU 181 N 0.03 -0.15 -0.48 1.56 3.38 -0.87 -0.48 115.31 118.31 1rpt h LEU 181 Ca 0.57 -0.40 0.07 0.00 0.09 0.00 0.00 57.88 58.21 1rpt h LEU 181 Cb 2.23 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 42.96 1rpt h LEU 181 CO -0.03 0.40 0.16 0.22 0.09 0.00 0.00 178.44 179.27 1rpt h TYR 182 N -0.79 0.27 0.57 1.13 5.03 0.24 -0.60 116.97 122.83 1rpt h TYR 182 Ca -0.02 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.29 1rpt h TYR 182 Cb 0.54 -0.05 0.01 0.00 1.55 0.00 0.00 36.73 38.78 1rpt h TYR 182 CO 0.09 0.08 -0.27 0.00 -1.32 0.00 0.00 178.16 176.74 1rpt h GLU 184 N -1.03 0.00 -0.03 0.00 4.11 -0.31 -1.30 114.58 116.03 1rpt h GLU 184 Ca -0.08 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.12 1rpt h GLU 184 Cb 0.65 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.91 1rpt h GLU 184 CO 0.13 0.00 -0.93 0.66 0.07 0.00 0.00 179.01 178.94 1rpt h SER 185 N 0.00 0.71 -0.51 3.06 4.64 -1.10 -1.03 113.55 119.33 1rpt h SER 185 Ca 0.00 -0.54 0.11 0.00 -0.47 0.00 0.00 61.79 60.88 1rpt h SER 185 Cb 0.38 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.23 1rpt h SER 185 CO 0.00 1.33 0.35 0.58 -0.87 0.00 0.00 176.83 178.22 1rpt h VAL 186 N 0.33 0.85 -0.67 0.95 2.07 -0.71 -0.03 116.25 119.05 1rpt h VAL 186 Ca -0.09 -0.08 -0.15 0.00 0.82 0.00 0.00 66.70 67.21 1rpt h VAL 186 Cb 1.56 0.61 -0.09 0.00 -1.52 0.00 0.00 31.29 31.86 1rpt h VAL 186 CO 0.17 0.04 0.19 1.41 0.02 0.00 0.00 177.57 179.40 1rpt n HIS 187 N -4.45 2.26 -0.39 1.57 -0.00 -0.67 -4.91 115.22 108.64 1rpt n HIS 187 Ca 0.08 -1.02 0.00 0.00 -0.00 0.00 0.00 57.72 56.78 1rpt n HIS 187 Cb 0.42 -0.62 0.00 0.00 -0.00 0.00 0.00 29.99 29.79 1rpt n HIS 187 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 1rpt n ASN 188 N 0.09 0.00 -4.76 0.41 2.85 -0.03 -4.95 115.26 108.88 1rpt n ASN 188 Ca 0.36 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 54.41 1rpt n ASN 188 Cb 1.29 -1.31 -0.01 0.00 1.24 0.00 0.00 39.78 40.99 1rpt n ASN 188 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1rpt n PHE 189 N -2.00 2.93 -1.94 1.20 3.72 -0.48 -4.90 117.46 115.99 1rpt n PHE 189 Ca 0.00 0.30 -0.42 0.00 -0.05 0.00 0.00 57.45 57.28 1rpt n PHE 189 Cb 0.00 -2.59 -0.03 0.00 -0.94 0.00 0.00 39.48 35.93 1rpt n PHE 189 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1rpt s THR 190 N -0.30 2.57 0.00 4.37 -4.23 -1.26 -4.42 115.64 112.36 1rpt s THR 190 Ca 0.61 0.43 0.00 0.00 -1.18 0.00 0.00 61.69 61.55 1rpt s THR 190 Cb -0.48 -3.28 0.00 0.00 1.34 0.00 0.00 72.50 70.08 1rpt s THR 190 CO 0.53 0.05 0.00 0.00 -0.54 0.00 0.00 174.62 174.65 1rpt n LEU 191 N 3.29 0.00 -4.75 4.79 -0.00 -1.26 -5.05 117.00 114.02 1rpt n LEU 191 Ca 0.11 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.81 1rpt n LEU 191 Cb 0.39 0.00 0.10 0.00 -0.00 0.00 0.00 43.42 43.91 1rpt n LEU 191 CO 0.61 -0.16 0.69 -2.16 -0.00 0.00 0.00 177.39 176.38 1rpt s PRO 192 N -1.05 2.03 0.29 1.47 0.04 -1.26 -4.96 135.00 131.56 1rpt s PRO 192 Ca 0.00 1.20 0.03 0.00 0.04 0.00 0.00 61.00 62.27 1rpt s PRO 192 Cb 0.00 -1.87 0.61 0.00 0.04 0.00 0.00 34.50 33.28 1rpt s PRO 192 CO 0.00 -1.81 1.82 1.79 0.04 0.00 0.00 177.00 178.84 1rpt h THR 193 N -1.25 0.85 -0.44 1.26 1.35 -2.03 0.43 112.91 113.07 1rpt h THR 193 Ca -0.44 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 1rpt h THR 193 Cb 1.24 -0.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.51 1rpt h THR 193 CO 0.50 0.17 0.00 -2.67 -0.25 0.00 0.00 175.52 173.27 1rpt n TRP 194 N -4.67 0.83 -3.59 4.73 4.27 -1.26 -4.58 117.44 113.17 1rpt n TRP 194 Ca 0.20 -0.36 -0.33 0.00 -3.89 0.00 0.00 57.50 53.13 1rpt n TRP 194 Cb 0.42 -0.10 -0.07 0.00 -1.36 0.00 0.00 31.31 30.20 1rpt n TRP 194 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1rpt n ALA 195 N 0.74 3.92 -2.90 -1.67 0.00 0.15 -4.76 120.51 115.99 1rpt n ALA 195 Ca 0.16 -4.65 -0.21 0.00 0.00 0.00 0.00 53.44 48.75 1rpt n ALA 195 Cb 0.53 -1.42 -0.02 0.00 0.00 0.00 0.00 19.45 18.54 1rpt n ALA 195 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1rpt s THR 196 N -1.81 5.09 0.65 0.00 -4.23 -1.26 -4.81 115.64 109.26 1rpt s THR 196 Ca 0.30 -1.00 0.38 0.00 -1.18 0.00 0.00 61.69 60.19 1rpt s THR 196 Cb 0.00 -3.79 0.39 0.00 1.34 0.00 0.00 72.50 70.44 1rpt s THR 196 CO -0.09 -0.31 2.23 -0.08 -0.54 0.00 0.00 174.62 175.83 1rpt h GLU 197 N 1.13 0.00 -0.10 3.99 4.81 -1.98 0.45 114.58 122.89 1rpt h GLU 197 Ca -0.51 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.70 1rpt h GLU 197 Cb 1.23 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.61 1rpt h GLU 197 CO 0.60 0.00 -0.03 0.22 -0.73 0.00 0.00 179.01 179.07 1rpt h ASP 198 N 0.00 0.19 0.93 1.04 3.58 -1.96 -0.52 116.42 119.69 1rpt h ASP 198 Ca 0.01 -0.38 -0.05 0.00 0.42 0.00 0.00 57.03 57.04 1rpt h ASP 198 Cb 0.22 -0.05 0.01 0.00 1.72 0.00 0.00 39.33 41.22 1rpt h ASP 198 CO -0.00 0.53 -0.45 0.00 -2.88 0.00 0.00 179.24 176.44 1rpt h ALA 199 N 0.67 -1.25 -0.07 -0.78 0.00 -0.45 -1.15 119.26 116.23 1rpt h ALA 199 Ca 0.02 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.67 1rpt h ALA 199 Cb 0.44 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1rpt h ALA 199 CO 0.01 -1.19 -0.07 1.98 0.00 0.00 0.00 179.25 179.98 1rpt h MET 200 N -1.29 -0.04 -0.52 0.00 4.05 -1.33 1.32 114.93 117.13 1rpt h MET 200 Ca -0.13 0.00 0.10 0.00 -0.28 0.00 0.00 59.70 59.40 1rpt h MET 200 Cb 0.96 0.01 -0.10 0.00 -0.80 0.00 0.00 31.60 31.68 1rpt h MET 200 CO 0.21 -0.03 -0.10 1.15 0.23 0.00 0.00 176.91 178.38 1rpt h THR 201 N -0.04 0.51 0.00 -0.77 2.02 -1.11 0.23 112.91 113.74 1rpt h THR 201 Ca 0.01 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 1rpt h THR 201 Cb 0.07 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1rpt h THR 201 CO -0.09 0.00 -0.04 0.11 0.37 0.00 0.00 175.52 175.88 1rpt h LYS 202 N 0.03 0.00 0.05 6.66 1.57 0.13 -0.16 116.57 124.85 1rpt h LYS 202 Ca 0.25 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1rpt h LYS 202 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1rpt h LYS 202 CO -0.51 0.04 -0.02 -0.07 -0.57 0.00 0.00 179.45 178.32 1rpt h LEU 203 N 0.00 -0.05 -0.48 2.94 3.38 0.46 -1.79 115.31 119.77 1rpt h LEU 203 Ca -0.00 -0.48 0.09 0.00 0.09 0.00 0.00 57.88 57.59 1rpt h LEU 203 Cb 0.07 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 40.74 1rpt h LEU 203 CO 0.00 0.47 -0.27 0.50 0.09 0.00 0.00 178.44 179.23 1rpt h LYS 204 N -0.59 -0.16 -0.73 1.13 3.64 -0.27 -0.11 116.57 119.47 1rpt h LYS 204 Ca -0.01 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1rpt h LYS 204 Cb 0.53 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.35 1rpt h LYS 204 CO 0.01 -0.11 0.43 0.93 -2.27 0.00 0.00 179.45 178.45 1rpt h GLU 205 N -0.16 0.99 -0.48 1.90 5.08 -0.83 0.64 114.58 121.71 1rpt h GLU 205 Ca 0.21 -0.09 -0.10 0.00 -1.00 0.00 0.00 59.36 58.39 1rpt h GLU 205 Cb 0.51 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1rpt h GLU 205 CO -0.58 0.70 -0.09 -0.07 -1.00 0.00 0.00 179.01 177.97 1rpt h LEU 206 N 1.00 0.86 -0.35 1.33 3.38 -0.39 -1.52 115.31 119.62 1rpt h LEU 206 Ca 0.26 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1rpt h LEU 206 Cb -0.03 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1rpt h LEU 206 CO -0.05 0.97 0.10 0.28 0.09 0.00 0.00 178.44 179.84 1rpt h SER 207 N 0.79 0.51 0.09 -0.43 0.02 0.16 0.27 113.55 114.96 1rpt h SER 207 Ca 0.13 -0.21 -0.07 0.00 -0.84 0.00 0.00 61.79 60.80 1rpt h SER 207 Cb 0.59 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 1rpt h SER 207 CO 0.04 0.58 -0.22 -0.08 -1.14 0.00 0.00 176.83 176.01 1rpt h GLU 208 N 0.41 0.24 0.00 3.45 4.81 0.04 -0.36 114.58 123.17 1rpt h GLU 208 Ca 0.11 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.15 1rpt h GLU 208 Cb 0.26 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1rpt h GLU 208 CO -0.00 0.46 -0.57 1.25 -0.73 0.00 0.00 179.01 179.42 1rpt h LEU 209 N 0.22 0.00 -0.36 1.64 5.85 -0.12 -3.09 115.31 119.45 1rpt h LEU 209 Ca 0.04 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.59 1rpt h LEU 209 Cb 0.52 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 1rpt h LEU 209 CO 0.04 0.57 -0.45 0.77 -0.34 0.00 0.00 178.44 179.02 1rpt h SER 210 N 0.00 0.99 -0.05 1.25 4.64 0.12 -3.08 113.55 117.43 1rpt h SER 210 Ca -0.01 -0.49 0.03 0.00 -0.47 0.00 0.00 61.79 60.86 1rpt h SER 210 Cb 1.29 -0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 63.06 1rpt h SER 210 CO 0.07 1.29 -0.20 0.25 -0.87 0.00 0.00 176.83 177.38 1rpt h LEU 211 N 0.73 -0.58 -2.28 5.97 7.12 -1.36 -1.65 115.31 123.25 1rpt h LEU 211 Ca 0.04 0.09 0.04 0.00 0.13 0.00 0.00 57.88 58.19 1rpt h LEU 211 Cb 1.05 0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 41.43 1rpt h LEU 211 CO 0.11 -0.25 0.19 -0.07 -0.13 0.00 0.00 178.44 178.28 1rpt h LEU 212 N -0.29 0.00 -0.16 2.25 3.38 -1.57 -1.27 115.31 117.66 1rpt h LEU 212 Ca 0.07 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.83 1rpt h LEU 212 Cb 0.39 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.15 1rpt h LEU 212 CO -0.22 0.00 -0.75 0.28 0.09 0.00 0.00 178.44 177.84 1rpt h SER 213 N 0.00 0.94 -0.71 -0.43 0.02 -1.21 1.24 113.55 113.40 1rpt h SER 213 Ca 0.07 -0.62 0.01 0.00 -0.84 0.00 0.00 61.79 60.40 1rpt h SER 213 Cb 0.46 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 1rpt h SER 213 CO -0.00 1.41 0.47 -0.07 -1.14 0.00 0.00 176.83 177.49 1rpt h LEU 214 N 0.53 0.82 0.00 5.07 3.38 -1.06 -3.34 115.31 120.71 1rpt h LEU 214 Ca -0.05 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1rpt h LEU 214 Cb 1.38 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1rpt h LEU 214 CO 0.16 0.60 -0.85 -1.22 0.09 0.00 0.00 178.44 177.21 1rpt n TYR 215 N -4.59 0.00 -1.77 1.13 4.01 -1.15 -4.94 117.16 109.86 1rpt n TYR 215 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 1rpt n TYR 215 Cb 0.02 -0.09 0.00 0.00 -0.31 0.00 0.00 39.34 38.96 1rpt n TYR 215 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1rpt n GLY 216 N 1.50 5.10 5.44 2.72 0.00 0.43 -4.40 105.19 115.97 1rpt n GLY 216 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1rpt n GLY 216 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1rpt n ILE 217 N 0.00 0.00 -3.73 -0.61 5.41 -1.25 -4.55 119.36 114.63 1rpt n ILE 217 Ca 0.00 0.00 -0.37 0.00 1.00 0.00 0.00 62.75 63.38 1rpt n ILE 217 Cb 0.00 0.00 -0.12 0.00 -0.71 0.00 0.00 39.64 38.81 1rpt n ILE 217 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 1rpt s HIS 218 N 0.00 3.11 0.00 1.39 5.04 -1.26 -4.52 115.29 119.05 1rpt s HIS 218 Ca 0.00 -0.44 0.00 0.00 -1.54 0.00 0.00 55.06 53.08 1rpt s HIS 218 Cb 0.00 -2.26 0.00 0.00 0.04 0.00 0.00 32.58 30.36 1rpt s HIS 218 CO 0.00 -0.37 0.00 1.63 -2.34 0.00 0.00 174.74 173.66 1rpt n LYS 219 N 4.94 0.00 0.00 2.88 5.02 -1.26 -4.76 118.16 124.98 1rpt n LYS 219 Ca -0.16 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 1rpt n LYS 219 Cb 0.51 -2.99 0.00 0.00 -0.02 0.00 0.00 35.03 32.53 1rpt n LYS 219 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1rpt n GLN 220 N -2.98 0.00 -0.64 1.97 7.27 -1.26 -0.61 117.38 121.12 1rpt n GLN 220 Ca 0.00 0.03 0.49 0.00 0.07 0.00 0.00 57.00 57.59 1rpt n GLN 220 Cb 0.00 -0.05 0.76 0.00 2.41 0.00 0.00 30.24 33.36 1rpt n GLN 220 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1rpt n LYS 221 N -1.17 -0.00 -0.05 3.69 4.01 -1.26 -0.39 118.16 122.98 1rpt n LYS 221 Ca 0.00 1.04 -0.12 0.00 -0.51 0.00 0.00 58.31 58.72 1rpt n LYS 221 Cb 0.00 -2.35 -0.11 0.00 -0.51 0.00 0.00 35.03 32.07 1rpt n LYS 221 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 1rpt h GLU 222 N 0.00 -0.01 -0.63 1.97 4.22 -1.22 -3.02 114.58 115.89 1rpt h GLU 222 Ca 0.88 0.00 0.10 0.00 0.08 0.00 0.00 59.36 60.42 1rpt h GLU 222 Cb 3.46 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 32.63 1rpt h GLU 222 CO -0.06 0.78 0.24 0.87 -2.18 0.00 0.00 179.01 178.66 1rpt h LYS 223 N -0.95 0.41 -0.06 1.92 1.79 -1.03 -2.47 116.57 116.17 1rpt h LYS 223 Ca -0.00 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 1rpt h LYS 223 Cb 0.80 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 31.36 1rpt h LYS 223 CO 0.00 0.27 0.00 0.77 -1.08 0.00 0.00 179.45 179.41 1rpt h SER 224 N 0.42 0.08 0.53 0.86 0.02 -0.70 -1.05 113.55 113.70 1rpt h SER 224 Ca 0.32 -0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.16 1rpt h SER 224 Cb 0.41 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1rpt h SER 224 CO -0.32 0.10 -0.50 0.03 -1.14 0.00 0.00 176.83 175.00 1rpt h ARG 225 N 0.09 0.00 0.00 3.45 3.08 -1.31 -0.31 114.38 119.38 1rpt h ARG 225 Ca 0.02 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.92 1rpt h ARG 225 Cb 0.06 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1rpt h ARG 225 CO 0.00 0.50 -0.86 -0.07 -1.07 0.00 0.00 179.97 178.47 1rpt h LEU 226 N 0.00 0.00 0.00 3.04 3.38 -1.30 -3.38 115.31 117.05 1rpt h LEU 226 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rpt h LEU 226 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1rpt h LEU 226 CO 0.06 0.65 0.00 0.00 0.09 0.00 0.00 178.44 179.24 1rpt n GLN 227 N -3.17 0.00 0.25 1.13 1.13 -0.50 -4.77 117.38 111.44 1rpt n GLN 227 Ca -0.02 0.00 0.11 0.00 -1.94 0.00 0.00 57.00 55.16 1rpt n GLN 227 Cb 0.82 0.00 0.61 0.00 0.11 0.00 0.00 30.24 31.78 1rpt n GLN 227 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1rpt h GLY 228 N 0.00 0.00 2.00 1.08 0.00 -1.58 0.25 103.07 104.82 1rpt h GLY 228 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1rpt h GLY 228 CO 0.00 0.00 -0.23 -1.33 0.00 0.00 0.00 176.54 174.98 1rpt h GLY 229 N 0.00 0.00 0.78 4.60 0.00 -1.29 -1.34 103.07 105.82 1rpt h GLY 229 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 1rpt h GLY 229 CO 0.00 0.00 -0.26 -2.08 0.00 0.00 0.00 176.54 174.20 1rpt h VAL 230 N 0.00 1.36 -0.65 4.60 2.07 -0.69 0.39 116.25 123.33 1rpt h VAL 230 Ca -0.00 -1.50 -0.00 0.00 0.82 0.00 0.00 66.70 66.01 1rpt h VAL 230 Cb 0.57 1.99 -0.03 0.00 -1.52 0.00 0.00 31.29 32.30 1rpt h VAL 230 CO 0.03 0.45 0.40 0.25 0.02 0.00 0.00 177.57 178.71 1rpt h LEU 231 N 0.04 0.77 -0.48 2.57 6.46 -1.67 -2.73 115.31 120.27 1rpt h LEU 231 Ca 0.01 -0.05 0.02 0.00 -0.12 0.00 0.00 57.88 57.74 1rpt h LEU 231 Cb 0.84 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.54 1rpt h LEU 231 CO 0.06 0.60 0.29 0.58 -0.62 0.00 0.00 178.44 179.34 1rpt h VAL 232 N 0.88 1.05 -0.76 1.05 2.07 -1.10 -1.63 116.25 117.81 1rpt h VAL 232 Ca 0.23 -0.20 0.08 0.00 0.82 0.00 0.00 66.70 67.64 1rpt h VAL 232 Cb -0.04 0.42 -0.07 0.00 -1.52 0.00 0.00 31.29 30.09 1rpt h VAL 232 CO -0.04 0.11 0.42 -1.13 0.02 0.00 0.00 177.57 176.94 1rpt h ASN 233 N 0.58 0.60 0.06 0.57 -0.00 -0.64 -2.79 115.58 113.96 1rpt h ASN 233 Ca 0.19 0.04 -0.23 0.00 -0.00 0.00 0.00 56.30 56.31 1rpt h ASN 233 Cb 0.01 -0.07 0.02 0.00 -0.00 0.00 0.00 38.32 38.28 1rpt h ASN 233 CO -0.09 0.36 -0.92 -0.08 -0.00 0.00 0.00 177.43 176.70 1rpt h GLU 234 N 0.73 0.52 -0.64 6.67 4.57 -1.13 -2.61 114.58 122.68 1rpt h GLU 234 Ca 0.36 -0.64 -0.00 0.00 -1.18 0.00 0.00 59.36 57.90 1rpt h GLU 234 Cb 0.30 0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 29.06 1rpt h GLU 234 CO -0.23 1.26 0.38 0.82 -1.18 0.00 0.00 179.01 180.06 1rpt h ILE 235 N 0.07 1.19 -0.54 2.32 2.04 -1.26 0.16 117.51 121.49 1rpt h ILE 235 Ca -0.13 -0.43 0.11 0.00 1.00 0.00 0.00 64.86 65.41 1rpt h ILE 235 Cb 1.62 0.31 -0.10 0.00 -0.74 0.00 0.00 36.82 37.91 1rpt h ILE 235 CO 0.18 0.20 -0.14 -0.07 0.00 0.00 0.00 178.15 178.31 1rpt h LEU 236 N 0.87 -0.53 -0.51 1.44 3.38 -1.49 0.23 115.31 118.70 1rpt h LEU 236 Ca 0.23 0.17 0.10 0.00 0.09 0.00 0.00 57.88 58.47 1rpt h LEU 236 Cb -0.02 0.35 -0.09 0.00 0.09 0.00 0.00 40.66 40.99 1rpt h LEU 236 CO -0.04 -0.19 -0.07 0.11 0.09 0.00 0.00 178.44 178.34 1rpt h LYS 237 N -0.01 0.04 0.00 1.13 1.57 -0.31 0.17 116.57 119.16 1rpt h LYS 237 Ca 0.26 -0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.91 1rpt h LYS 237 Cb 0.41 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 1rpt h LYS 237 CO -0.56 0.03 -0.59 -0.91 -0.57 0.00 0.00 179.45 176.85 1rpt h ASN 238 N 0.04 0.00 0.32 0.86 4.21 -0.35 -2.06 115.58 118.60 1rpt h ASN 238 Ca 0.25 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.75 1rpt h ASN 238 Cb 0.39 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.59 1rpt h ASN 238 CO -0.49 0.59 -0.15 0.24 -1.29 0.00 0.00 177.43 176.33 1rpt h MET 239 N 0.00 -0.41 -0.70 0.81 2.86 0.75 -0.66 114.93 117.59 1rpt h MET 239 Ca -0.01 0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1rpt h MET 239 Cb 1.06 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.78 1rpt h MET 239 CO 0.08 -0.24 0.34 0.87 1.06 0.00 0.00 176.91 179.02 1rpt h LYS 240 N -0.47 1.00 -0.35 1.72 1.79 -0.53 0.73 116.57 120.45 1rpt h LYS 240 Ca -0.04 -0.14 -0.01 0.00 -2.18 0.00 0.00 60.65 58.28 1rpt h LYS 240 Cb 0.36 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 1rpt h LYS 240 CO 0.07 0.78 0.18 -0.07 -1.08 0.00 0.00 179.45 179.34 1rpt h LEU 241 N 0.97 0.42 -2.50 2.94 4.07 -1.17 0.41 115.31 120.45 1rpt h LEU 241 Ca 0.24 -0.03 -0.00 0.00 0.08 0.00 0.00 57.88 58.17 1rpt h LEU 241 Cb 0.11 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 41.74 1rpt h LEU 241 CO -0.03 0.35 -0.01 0.00 -1.08 0.00 0.00 178.44 177.66 1rpt h ALA 242 N 1.72 1.38 0.11 1.53 0.00 0.74 0.97 119.26 125.72 1rpt h ALA 242 Ca 0.13 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.77 1rpt h ALA 242 Cb 0.03 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.84 1rpt h ALA 242 CO -0.02 0.02 -1.04 1.79 0.00 0.00 0.00 179.25 180.00 1rpt h THR 243 N 0.00 1.36 -4.21 0.00 1.35 0.20 -3.48 112.91 108.14 1rpt h THR 243 Ca -0.00 -2.42 -0.51 0.00 -0.55 0.00 0.00 66.41 62.92 1rpt h THR 243 Cb 0.05 2.83 0.11 0.00 -1.73 0.00 0.00 68.15 69.41 1rpt h THR 243 CO 0.00 0.72 0.37 0.00 -0.25 0.00 0.00 175.52 176.36 1rpt s GLN 244 N -2.86 2.62 0.55 4.72 1.03 0.33 -4.79 119.66 121.26 1rpt s GLN 244 Ca -0.11 1.42 0.46 0.00 0.04 0.00 0.00 55.36 57.16 1rpt s GLN 244 Cb 0.04 -1.93 1.68 0.00 0.03 0.00 0.00 33.01 32.83 1rpt s GLN 244 CO 0.89 -1.40 1.63 -1.00 -2.54 0.00 0.00 175.29 172.87 1rpt h PRO 245 N -0.17 0.01 0.00 9.60 0.13 -1.92 -3.36 132.00 136.28 1rpt h PRO 245 Ca -0.46 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1rpt h PRO 245 Cb 1.25 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1rpt h PRO 245 CO 0.53 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.30 1rpt n GLN 246 N -4.05 0.00 -1.74 0.86 0.00 -1.26 -5.01 117.38 106.17 1rpt n GLN 246 Ca 0.40 0.00 -0.43 0.00 0.00 0.00 0.00 57.00 56.97 1rpt n GLN 246 Cb 1.80 -0.11 -0.03 0.00 0.00 0.00 0.00 30.24 31.90 1rpt n GLN 246 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 1rpt s LYS 247 N -1.00 3.40 -0.25 2.61 2.47 -1.26 -4.89 119.74 120.82 1rpt s LYS 247 Ca 0.00 1.97 -0.02 0.00 -1.56 0.00 0.00 55.97 56.36 1rpt s LYS 247 Cb 0.00 -4.27 0.14 0.00 -1.46 0.00 0.00 37.83 32.24 1rpt s LYS 247 CO 0.00 -1.80 0.39 0.00 0.16 0.00 0.00 175.35 174.11 1rpt s ALA 248 N 7.12 -1.17 -0.13 3.13 0.00 -1.26 -4.11 121.76 125.34 1rpt s ALA 248 Ca 0.92 0.90 -0.04 0.00 0.00 0.00 0.00 51.96 53.74 1rpt s ALA 248 Cb -0.32 -1.74 -0.03 0.00 0.00 0.00 0.00 23.12 21.03 1rpt s ALA 248 CO 0.35 -1.31 0.03 1.03 0.00 0.00 0.00 175.76 175.86 1rpt s ARG 249 N 2.56 3.41 0.00 0.00 1.81 -1.26 -4.57 118.95 120.90 1rpt s ARG 249 Ca 0.13 -0.38 0.22 0.00 -1.72 0.00 0.00 55.73 53.98 1rpt s ARG 249 Cb -0.15 -2.97 -0.10 0.00 -0.45 0.00 0.00 34.95 31.28 1rpt s ARG 249 CO -0.17 0.52 0.99 1.63 -0.68 0.00 0.00 175.30 177.59 1rpt n LYS 250 N 2.72 0.22 -3.67 3.54 5.02 0.13 -4.91 118.16 121.22 1rpt n LYS 250 Ca -0.18 -0.18 -0.09 0.00 -2.02 0.00 0.00 58.31 55.84 1rpt n LYS 250 Cb 0.53 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.96 1rpt n LYS 250 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1rpt s LEU 251 N -2.90 -0.50 0.09 -0.35 0.20 -1.01 -3.47 118.68 110.75 1rpt s LEU 251 Ca 0.10 1.21 0.09 0.00 0.69 0.00 0.00 54.13 56.22 1rpt s LEU 251 Cb 0.17 1.88 -0.04 0.00 -0.43 0.00 0.00 46.19 47.77 1rpt s LEU 251 CO 0.80 -0.22 -0.22 -0.63 -0.29 0.00 0.00 176.35 175.79 1rpt s ILE 252 N 1.41 2.55 -0.39 6.68 1.01 -1.21 -1.60 121.20 129.66 1rpt s ILE 252 Ca -0.09 -1.50 0.09 0.00 0.00 0.00 0.00 60.65 59.15 1rpt s ILE 252 Cb -0.06 -2.12 0.27 0.00 0.01 0.00 0.00 42.46 40.56 1rpt s ILE 252 CO -0.15 0.18 0.58 0.80 0.00 0.00 0.00 174.94 176.36 1rpt n MET 253 N 1.13 0.77 -1.65 2.79 1.56 0.44 -3.45 117.12 118.71 1rpt n MET 253 Ca -0.17 -3.19 -0.50 0.00 -0.27 0.00 0.00 57.70 53.57 1rpt n MET 253 Cb 0.53 -1.32 -0.05 0.00 2.15 0.00 0.00 33.22 34.52 1rpt n MET 253 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 1rpt n TYR 254 N 1.18 2.16 -3.68 1.12 4.01 -1.19 -3.91 117.16 116.84 1rpt n TYR 254 Ca 0.21 0.13 -0.37 0.00 -0.16 0.00 0.00 57.90 57.71 1rpt n TYR 254 Cb 0.56 -2.61 -0.11 0.00 -0.31 0.00 0.00 39.34 36.87 1rpt n TYR 254 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1rpt s SER 255 N 4.70 5.76 0.00 7.72 1.04 -0.61 -2.93 113.70 129.38 1rpt s SER 255 Ca 0.97 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 57.36 1rpt s SER 255 Cb -0.77 -2.05 0.00 0.00 0.10 0.00 0.00 66.02 63.30 1rpt s SER 255 CO 0.53 -0.01 0.00 0.00 0.98 0.00 0.00 173.24 174.75 1rpt n ALA 256 N 4.75 0.00 -2.60 5.32 0.00 -1.08 -3.04 120.51 123.86 1rpt n ALA 256 Ca -0.15 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.06 1rpt n ALA 256 Cb 0.52 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.90 1rpt n ALA 256 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1rpt s HIS 257 N 0.77 2.69 0.56 0.00 3.76 -1.26 -2.51 115.29 119.30 1rpt s HIS 257 Ca 0.00 -0.29 0.25 0.00 -0.15 0.00 0.00 55.06 54.87 1rpt s HIS 257 Cb 0.00 -1.35 1.63 0.00 1.11 0.00 0.00 32.58 33.97 1rpt s HIS 257 CO 0.00 0.53 2.22 0.38 -0.85 0.00 0.00 174.74 177.01 1rpt h ASP 258 N 1.78 0.00 1.08 1.40 3.04 -1.95 0.65 116.42 122.41 1rpt h ASP 258 Ca -0.44 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.35 1rpt h ASP 258 Cb 1.25 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.54 1rpt h ASP 258 CO 0.62 0.00 0.00 0.71 -2.04 0.00 0.00 179.24 178.53 1rpt h THR 259 N 0.00 0.00 0.06 1.15 1.35 -1.94 -1.00 112.91 112.54 1rpt h THR 259 Ca -0.00 -0.47 -0.18 0.00 -0.55 0.00 0.00 66.41 65.21 1rpt h THR 259 Cb 0.01 1.38 -0.01 0.00 -1.73 0.00 0.00 68.15 67.80 1rpt h THR 259 CO 0.00 0.00 -0.93 0.74 -0.25 0.00 0.00 175.52 175.08 1rpt h THR 260 N 0.00 1.27 -0.15 6.82 2.02 -0.02 -2.39 112.91 120.47 1rpt h THR 260 Ca 0.00 -2.36 0.01 0.00 0.77 0.00 0.00 66.41 64.84 1rpt h THR 260 Cb 0.54 2.85 -0.02 0.00 -1.74 0.00 0.00 68.15 69.78 1rpt h THR 260 CO 0.00 0.59 0.04 0.58 0.37 0.00 0.00 175.52 177.11 1rpt h VAL 261 N -0.65 0.96 0.85 3.16 2.07 -1.07 0.18 116.25 121.75 1rpt h VAL 261 Ca -0.21 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 1rpt h VAL 261 Cb 1.45 0.83 0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1rpt h VAL 261 CO -0.00 0.02 -0.44 0.77 0.02 0.00 0.00 177.57 177.94 1rpt h SER 262 N 0.11 -1.07 -1.17 0.57 4.64 -1.32 -1.40 113.55 113.91 1rpt h SER 262 Ca 0.06 0.04 0.33 0.00 -0.47 0.00 0.00 61.79 61.76 1rpt h SER 262 Cb 0.04 0.29 -0.08 0.00 -0.31 0.00 0.00 62.40 62.34 1rpt h SER 262 CO -0.07 -0.72 0.80 1.23 -0.87 0.00 0.00 176.83 177.19 1rpt h GLY 263 N -1.18 0.70 0.47 -0.77 0.00 -1.22 0.15 103.07 101.22 1rpt h GLY 263 Ca -0.12 -0.10 -0.07 0.00 0.00 0.00 0.00 47.33 47.04 1rpt h GLY 263 CO 0.17 -0.12 -0.29 -2.00 0.00 0.00 0.00 176.54 174.30 1rpt h LEU 264 N 0.18 0.25 -1.05 3.11 5.85 -0.59 -2.38 115.31 120.69 1rpt h LEU 264 Ca 0.63 -0.79 -0.10 0.00 0.84 0.00 0.00 57.88 58.46 1rpt h LEU 264 Cb 2.04 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.98 1rpt h LEU 264 CO -0.19 1.01 -0.43 1.56 -0.34 0.00 0.00 178.44 180.05 1rpt h GLN 265 N -0.48 0.09 0.00 1.25 4.20 0.11 0.18 115.11 120.46 1rpt h GLN 265 Ca -0.04 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.57 1rpt h GLN 265 Cb 1.06 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 1rpt h GLN 265 CO 0.06 0.51 -0.28 0.52 -0.67 0.00 0.00 178.83 178.97 1rpt h MET 266 N 0.07 0.00 -0.29 1.46 2.86 -0.81 0.13 114.93 118.36 1rpt h MET 266 Ca 0.00 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.49 1rpt h MET 266 Cb 0.80 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.46 1rpt h MET 266 CO 0.06 0.28 -0.41 0.00 1.06 0.00 0.00 176.91 177.89 1rpt h ALA 267 N 1.72 0.45 0.00 6.32 0.00 -0.15 -2.56 119.26 125.04 1rpt h ALA 267 Ca -0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1rpt h ALA 267 Cb 0.73 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1rpt h ALA 267 CO 0.04 0.56 0.00 -0.11 0.00 0.00 0.00 179.25 179.74 1rpt n LEU 268 N -4.13 0.00 -3.33 0.00 7.94 -0.48 -4.88 117.00 112.11 1rpt n LEU 268 Ca -0.04 0.45 -0.17 0.00 -1.11 0.00 0.00 56.01 55.14 1rpt n LEU 268 Cb 0.55 -0.45 0.05 0.00 0.53 0.00 0.00 43.42 44.11 1rpt n LEU 268 CO 0.48 -0.06 0.05 -0.67 -1.11 0.00 0.00 177.39 176.08 1rpt n ASP 269 N -1.45 -6.49 -0.30 1.96 -0.08 -0.81 -4.62 116.55 104.76 1rpt n ASP 269 Ca 0.08 -0.69 0.00 0.00 -1.51 0.00 0.00 54.79 52.67 1rpt n ASP 269 Cb 0.27 -4.71 0.00 0.00 2.34 0.00 0.00 41.12 39.02 1rpt n ASP 269 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1rpt n VAL 270 N -3.20 0.00 -2.44 5.18 0.31 0.41 -4.28 118.33 114.31 1rpt n VAL 270 Ca -0.07 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.83 1rpt n VAL 270 Cb 0.60 0.51 -0.02 0.00 -0.91 0.00 0.00 33.84 34.02 1rpt n VAL 270 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1rpt s TYR 271 N 0.00 2.71 -1.29 3.52 5.04 -1.12 -4.89 117.35 121.31 1rpt s TYR 271 Ca 0.00 0.88 0.00 0.00 -2.44 0.00 0.00 57.07 55.51 1rpt s TYR 271 Cb 0.00 -3.92 0.00 0.00 0.35 0.00 0.00 41.96 38.39 1rpt s TYR 271 CO 0.00 -1.65 0.15 0.27 -1.34 0.00 0.00 175.55 172.98 1rpt n ASN 272 N 7.61 0.16 0.00 4.32 6.94 -1.26 -4.90 115.26 128.14 1rpt n ASN 272 Ca 0.15 -0.47 0.00 0.00 -0.02 0.00 0.00 54.58 54.24 1rpt n ASN 272 Cb 0.47 -0.08 0.00 0.00 -2.36 0.00 0.00 39.78 37.80 1rpt n ASN 272 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1rpt n GLY 273 N 0.19 0.24 3.73 4.83 0.00 -1.26 -4.89 105.19 108.03 1rpt n GLY 273 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1rpt n GLY 273 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rpt s LEU 274 N 0.00 4.36 0.15 0.99 1.43 -1.26 -4.88 118.68 119.47 1rpt s LEU 274 Ca 0.00 2.92 -0.34 0.00 -1.03 0.00 0.00 54.13 55.68 1rpt s LEU 274 Cb 0.00 -3.61 -0.15 0.00 0.03 0.00 0.00 46.19 42.45 1rpt s LEU 274 CO 0.00 -0.96 1.35 0.18 0.23 0.00 0.00 176.35 177.15 1rpt n LEU 275 N 3.31 2.14 -4.70 1.79 4.77 -1.26 -4.93 117.00 118.12 1rpt n LEU 275 Ca 0.13 1.12 -0.42 0.00 -0.03 0.00 0.00 56.01 56.81 1rpt n LEU 275 Cb 0.36 -1.28 -0.03 0.00 -2.33 0.00 0.00 43.42 40.14 1rpt n LEU 275 CO 0.64 -0.87 1.28 -2.16 -1.33 0.00 0.00 177.39 174.94 1rpt s PRO 276 N 0.19 4.22 0.78 3.23 0.04 -1.26 -4.98 135.00 137.22 1rpt s PRO 276 Ca 0.78 2.28 -0.11 0.00 0.04 0.00 0.00 61.00 63.99 1rpt s PRO 276 Cb -0.82 -3.50 0.06 0.00 0.04 0.00 0.00 34.50 30.27 1rpt s PRO 276 CO 0.47 -0.68 1.09 -2.14 0.04 0.00 0.00 177.00 175.77 1rpt s PRO 277 N 2.29 2.20 0.13 0.56 0.02 -1.26 -4.84 135.00 134.10 1rpt s PRO 277 Ca 0.72 1.01 -0.33 0.00 0.02 0.00 0.00 61.00 62.41 1rpt s PRO 277 Cb -0.39 -1.90 -0.13 0.00 0.02 0.00 0.00 34.50 32.09 1rpt s PRO 277 CO 0.31 -1.64 1.66 0.66 -0.33 0.00 0.00 177.00 177.67 1rpt n TYR 278 N -3.50 2.37 -1.91 6.54 4.01 -1.26 -0.65 117.16 122.76 1rpt n TYR 278 Ca 0.08 0.17 -0.09 0.00 -0.16 0.00 0.00 57.90 57.90 1rpt n TYR 278 Cb 0.54 -2.59 -0.01 0.00 -0.31 0.00 0.00 39.34 36.96 1rpt n TYR 278 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1rpt n ALA 279 N 4.11 -0.23 -1.78 -0.72 0.00 -0.22 -4.94 120.51 116.73 1rpt n ALA 279 Ca 0.18 0.09 -0.37 0.00 0.00 0.00 0.00 53.44 53.34 1rpt n ALA 279 Cb 0.30 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 18.52 1rpt n ALA 279 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1rpt s SER 280 N -2.68 6.54 -0.26 0.00 1.04 0.18 -4.68 113.70 113.84 1rpt s SER 280 Ca 0.00 2.16 -0.02 0.00 0.48 0.00 0.00 55.95 58.57 1rpt s SER 280 Cb 0.00 -2.59 0.08 0.00 0.10 0.00 0.00 66.02 63.61 1rpt s SER 280 CO 0.00 -0.65 0.07 0.00 0.98 0.00 0.00 173.24 173.64 1rpt s HIS 282 N 1.77 2.99 -0.16 0.00 5.04 -1.20 -0.87 115.29 122.87 1rpt s HIS 282 Ca 0.05 1.14 -0.01 0.00 -1.54 0.00 0.00 55.06 54.70 1rpt s HIS 282 Cb -0.17 -3.43 -0.01 0.00 0.04 0.00 0.00 32.58 29.00 1rpt s HIS 282 CO -0.19 -1.34 -0.10 0.42 -2.34 0.00 0.00 174.74 171.20 1rpt s ILE 283 N 3.41 3.23 -0.03 0.89 1.01 -0.78 -2.36 121.20 126.56 1rpt s ILE 283 Ca 0.51 -0.58 0.05 0.00 0.00 0.00 0.00 60.65 60.63 1rpt s ILE 283 Cb -0.20 -2.39 -0.03 0.00 0.01 0.00 0.00 42.46 39.86 1rpt s ILE 283 CO 0.12 0.50 -0.16 -0.04 0.00 0.00 0.00 174.94 175.35 1rpt s MET 284 N 0.63 2.37 0.03 2.79 -1.94 0.03 -0.68 119.30 122.54 1rpt s MET 284 Ca -0.06 -0.78 0.02 0.00 -1.71 0.00 0.00 55.69 53.16 1rpt s MET 284 Cb -0.15 -2.30 -0.02 0.00 2.01 0.00 0.00 34.83 34.37 1rpt s MET 284 CO 0.03 0.60 -0.06 -1.21 -0.01 0.00 0.00 175.02 174.36 1rpt s GLU 285 N -0.85 0.46 -0.10 2.03 2.02 -0.32 -1.02 118.70 120.91 1rpt s GLU 285 Ca 0.12 -0.60 0.00 0.00 0.02 0.00 0.00 54.97 54.51 1rpt s GLU 285 Cb -0.10 -0.25 0.02 0.00 0.10 0.00 0.00 34.13 33.89 1rpt s GLU 285 CO 0.01 0.05 -0.10 -1.17 0.02 0.00 0.00 175.26 174.07 1rpt s LEU 286 N -1.23 1.40 0.36 1.80 2.96 -0.77 -1.71 118.68 121.49 1rpt s LEU 286 Ca -0.08 -0.33 0.08 0.00 -0.22 0.00 0.00 54.13 53.58 1rpt s LEU 286 Cb -0.08 -0.89 -0.05 0.00 0.50 0.00 0.00 46.19 45.67 1rpt s LEU 286 CO 0.00 -0.06 0.12 -0.31 -1.32 0.00 0.00 176.35 174.78 1rpt s TYR 287 N 1.36 2.65 -0.02 5.38 1.51 -0.76 -0.27 117.35 127.20 1rpt s TYR 287 Ca -0.01 -0.44 0.01 0.00 -1.01 0.00 0.00 57.07 55.62 1rpt s TYR 287 Cb -0.14 -1.68 0.01 0.00 -0.11 0.00 0.00 41.96 40.05 1rpt s TYR 287 CO -0.05 0.34 -0.03 -1.14 -1.11 0.00 0.00 175.55 173.56 1rpt s GLN 288 N -3.83 0.43 -0.26 -0.62 0.74 0.85 -0.28 119.66 116.70 1rpt s GLN 288 Ca 0.38 -0.05 -0.09 0.00 0.05 0.00 0.00 55.36 55.65 1rpt s GLN 288 Cb -0.01 -0.49 0.11 0.00 1.10 0.00 0.00 33.01 33.72 1rpt s GLN 288 CO 0.22 -0.03 0.56 0.34 -0.55 0.00 0.00 175.29 175.82 1rpt s ASP 289 N 0.55 -0.79 0.79 6.67 -1.08 0.20 -0.95 116.67 122.07 1rpt s ASP 289 Ca -0.06 1.34 0.00 0.00 -0.52 0.00 0.00 52.55 53.31 1rpt s ASP 289 Cb -0.09 1.87 0.00 0.00 -1.46 0.00 0.00 42.92 43.24 1rpt s ASP 289 CO -0.01 -0.22 0.00 0.59 0.52 0.00 0.00 175.17 176.05 1rpt n ASN 290 N 5.36 -0.33 0.28 -0.34 5.03 -1.26 -2.12 115.26 121.87 1rpt n ASN 290 Ca -0.11 0.00 0.13 0.00 0.87 0.00 0.00 54.58 55.46 1rpt n ASN 290 Cb 0.50 0.00 0.80 0.00 -1.02 0.00 0.00 39.78 40.05 1rpt n ASN 290 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 1rpt h GLY 291 N 0.00 0.00 -1.91 7.41 0.00 -2.04 -3.44 103.07 103.09 1rpt h GLY 291 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.82 1rpt h GLY 291 CO 0.00 0.00 0.41 -0.32 0.00 0.00 0.00 176.54 176.63 1rpt s GLY 292 N -4.13 2.42 -0.08 4.60 0.00 -0.90 -5.06 107.32 104.17 1rpt s GLY 292 Ca -0.04 0.71 0.02 0.00 0.00 0.00 0.00 44.72 45.40 1rpt s GLY 292 CO 0.59 1.07 -0.11 0.30 0.00 0.00 0.00 173.10 174.94 1rpt s HIS 293 N -2.02 1.51 -0.02 1.90 3.76 -1.26 -0.63 115.29 118.54 1rpt s HIS 293 Ca 0.70 -0.62 0.05 0.00 -0.15 0.00 0.00 55.06 55.05 1rpt s HIS 293 Cb -0.23 -1.13 -0.01 0.00 1.11 0.00 0.00 32.58 32.32 1rpt s HIS 293 CO 0.34 -0.35 -0.17 -0.06 -0.85 0.00 0.00 174.74 173.65 1rpt s PHE 294 N 0.92 1.57 -0.22 1.40 0.40 0.62 -0.64 117.98 122.04 1rpt s PHE 294 Ca -0.10 -0.31 -0.05 0.00 -0.60 0.00 0.00 56.93 55.88 1rpt s PHE 294 Cb -0.15 -1.01 -0.02 0.00 0.51 0.00 0.00 43.02 42.35 1rpt s PHE 294 CO 0.01 -0.04 -0.01 0.08 0.70 0.00 0.00 175.22 175.95 1rpt s VAL 295 N -0.37 3.68 -0.11 -0.44 1.01 0.37 -1.82 120.40 122.73 1rpt s VAL 295 Ca 0.06 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.67 1rpt s VAL 295 Cb -0.07 -2.68 -0.00 0.00 0.00 0.00 0.00 36.38 33.63 1rpt s VAL 295 CO -0.00 0.41 -0.21 -1.61 0.00 0.00 0.00 175.10 173.69 1rpt s GLU 296 N 1.33 3.12 0.15 2.72 2.02 -0.70 -3.40 118.70 123.95 1rpt s GLU 296 Ca 0.04 -0.83 0.07 0.00 0.02 0.00 0.00 54.97 54.27 1rpt s GLU 296 Cb -0.14 -2.38 -0.04 0.00 0.10 0.00 0.00 34.13 31.67 1rpt s GLU 296 CO -0.00 0.19 -0.04 -1.64 0.02 0.00 0.00 175.26 173.79 1rpt s MET 297 N 0.33 2.27 0.29 1.61 -1.94 -1.26 -1.17 119.30 119.43 1rpt s MET 297 Ca -0.17 -1.11 0.04 0.00 -1.71 0.00 0.00 55.69 52.74 1rpt s MET 297 Cb -0.17 -2.31 -0.03 0.00 2.01 0.00 0.00 34.83 34.32 1rpt s MET 297 CO 0.08 0.47 0.20 0.71 -0.01 0.00 0.00 175.02 176.47 1rpt s TYR 298 N -1.58 1.56 -0.24 -0.03 1.51 0.15 -2.21 117.35 116.51 1rpt s TYR 298 Ca 0.25 -1.49 -0.03 0.00 -1.01 0.00 0.00 57.07 54.80 1rpt s TYR 298 Cb -0.10 -0.74 0.12 0.00 -0.11 0.00 0.00 41.96 41.13 1rpt s TYR 298 CO 0.17 -0.68 0.28 -0.47 -1.11 0.00 0.00 175.55 173.74 1rpt s TYR 299 N -3.67 -0.47 -1.15 2.71 5.04 0.50 -1.87 117.35 118.45 1rpt s TYR 299 Ca 0.38 0.27 -0.07 0.00 -2.44 0.00 0.00 57.07 55.22 1rpt s TYR 299 Cb 0.04 -0.29 0.26 0.00 0.35 0.00 0.00 41.96 42.32 1rpt s TYR 299 CO 0.20 -0.72 1.57 -2.13 -1.34 0.00 0.00 175.55 173.13 1rpt n ARG 300 N 5.33 4.07 0.08 4.97 0.63 -0.05 -0.88 116.66 130.81 1rpt n ARG 300 Ca -0.04 -4.20 -0.23 0.00 -0.92 0.00 0.00 57.85 52.46 1rpt n ARG 300 Cb 0.49 -2.67 -0.15 0.00 0.45 0.00 0.00 32.46 30.58 1rpt n ARG 300 CO 0.00 0.00 0.00 -2.95 -2.51 0.00 0.00 177.63 172.17 1rpt h ASN 301 N 5.74 0.64 -1.99 6.15 7.08 -1.91 -3.02 115.58 128.27 1rpt h ASN 301 Ca 0.26 -0.92 -0.44 0.00 -3.08 0.00 0.00 56.30 52.12 1rpt h ASN 301 Cb 0.66 -0.21 0.04 0.00 -2.08 0.00 0.00 38.32 36.73 1rpt h ASN 301 CO 1.39 1.77 -0.08 -1.61 -2.08 0.00 0.00 177.43 176.82 1rpt s GLU 302 N -2.58 2.46 -0.26 4.14 8.01 -1.26 -4.82 118.70 124.40 1rpt s GLU 302 Ca -0.15 -1.04 -0.05 0.00 0.01 0.00 0.00 54.97 53.74 1rpt s GLU 302 Cb 0.05 -2.55 -0.14 0.00 -4.31 0.00 0.00 34.13 27.18 1rpt s GLU 302 CO 0.87 -0.72 -0.27 -2.37 0.01 0.00 0.00 175.26 172.77 1rpt n THR 303 N -2.28 1.45 -0.73 3.63 5.66 -1.26 -4.53 114.28 116.22 1rpt n THR 303 Ca 0.10 -0.47 -0.07 0.00 -3.05 0.00 0.00 64.05 60.56 1rpt n THR 303 Cb 0.60 -1.59 -0.04 0.00 -1.55 0.00 0.00 70.33 67.75 1rpt n THR 303 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1rpt n GLN 304 N -3.65 1.42 0.00 1.09 0.00 -1.26 -4.66 117.38 110.32 1rpt n GLN 304 Ca -0.48 -0.58 0.00 0.00 0.00 0.00 0.00 57.00 55.94 1rpt n GLN 304 Cb 0.93 -1.38 0.00 0.00 0.00 0.00 0.00 30.24 29.78 1rpt n GLN 304 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1rpt n ASN 305 N 1.54 0.00 -4.78 2.61 4.05 -1.26 -5.16 115.26 112.26 1rpt n ASN 305 Ca 0.17 0.00 -0.29 0.00 0.45 0.00 0.00 54.58 54.91 1rpt n ASN 305 Cb 0.61 0.00 0.12 0.00 1.23 0.00 0.00 39.78 41.75 1rpt n ASN 305 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 177.26 172.38 1rpt s GLU 306 N -1.06 1.42 0.20 1.20 -1.05 -1.26 -4.65 118.70 113.49 1rpt s GLU 306 Ca 0.00 0.44 -0.33 0.00 -0.15 0.00 0.00 54.97 54.94 1rpt s GLU 306 Cb 0.00 -1.86 -0.14 0.00 -0.44 0.00 0.00 34.13 31.69 1rpt s GLU 306 CO 0.00 -2.04 1.47 -0.35 0.95 0.00 0.00 175.26 175.30 1rpt n PRO 307 N -3.68 2.03 -2.79 -4.83 -0.04 -1.26 -4.90 135.00 119.52 1rpt n PRO 307 Ca 0.07 0.73 -0.42 0.00 -0.04 0.00 0.00 63.50 63.83 1rpt n PRO 307 Cb 0.58 -2.43 -0.03 0.00 -0.04 0.00 0.00 33.50 31.58 1rpt n PRO 307 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1rpt s TYR 308 N 0.38 3.51 -0.59 0.54 1.51 -0.06 -4.76 117.35 117.89 1rpt s TYR 308 Ca 0.74 1.47 -0.27 0.00 -1.01 0.00 0.00 57.07 58.00 1rpt s TYR 308 Cb -0.68 -3.09 -0.01 0.00 -0.11 0.00 0.00 41.96 38.08 1rpt s TYR 308 CO 0.44 -0.16 1.70 -1.25 -1.11 0.00 0.00 175.55 175.17 1rpt s PRO 309 N 1.78 2.90 0.39 -1.71 0.04 -1.26 0.19 135.00 137.32 1rpt s PRO 309 Ca 0.45 0.56 -0.25 0.00 0.04 0.00 0.00 61.00 61.80 1rpt s PRO 309 Cb -0.18 -4.29 -0.09 0.00 0.04 0.00 0.00 34.50 29.98 1rpt s PRO 309 CO 0.18 -2.42 1.12 -0.51 0.04 0.00 0.00 177.00 175.41 1rpt s LEU 310 N 7.86 4.20 -0.10 -3.56 1.43 -0.94 -4.92 118.68 122.66 1rpt s LEU 310 Ca 0.62 2.24 0.00 0.00 -1.03 0.00 0.00 54.13 55.96 1rpt s LEU 310 Cb -0.13 -4.05 0.02 0.00 0.03 0.00 0.00 46.19 42.06 1rpt s LEU 310 CO 0.22 -0.58 -0.09 -0.89 0.23 0.00 0.00 176.35 175.24 1rpt s THR 311 N -1.47 1.04 0.35 5.49 2.01 -1.26 -4.16 115.64 117.63 1rpt s THR 311 Ca 0.57 -0.34 -0.29 0.00 0.31 0.00 0.00 61.69 61.94 1rpt s THR 311 Cb -0.28 -1.02 -0.11 0.00 0.01 0.00 0.00 72.50 71.10 1rpt s THR 311 CO 0.35 0.36 1.48 -0.22 -0.69 0.00 0.00 174.62 175.90 1rpt s LEU 312 N 1.36 4.34 0.14 4.42 2.96 -1.26 -4.89 118.68 125.75 1rpt s LEU 312 Ca -0.02 2.98 -0.31 0.00 -0.22 0.00 0.00 54.13 56.56 1rpt s LEU 312 Cb -0.14 -3.66 -0.09 0.00 0.50 0.00 0.00 46.19 42.80 1rpt s LEU 312 CO -0.04 -0.84 1.56 -2.16 -1.32 0.00 0.00 176.35 173.55 1rpt s PRO 313 N -1.72 4.23 0.00 0.98 0.04 -1.26 -3.24 135.00 134.03 1rpt s PRO 313 Ca 0.54 2.32 0.00 0.00 0.04 0.00 0.00 61.00 63.90 1rpt s PRO 313 Cb -0.46 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 30.85 1rpt s PRO 313 CO 0.59 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 177.43 1rpt n GLY 314 N 3.76 1.08 3.33 0.56 0.00 -1.26 -5.07 105.19 107.59 1rpt n GLY 314 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 1rpt n GLY 314 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rpt s THR 316 N -3.84 2.68 0.54 0.00 -1.32 -1.26 -4.76 115.64 107.68 1rpt s THR 316 Ca 0.06 0.22 0.42 0.00 -1.21 0.00 0.00 61.69 61.18 1rpt s THR 316 Cb 0.02 -2.48 0.44 0.00 -1.51 0.00 0.00 72.50 68.97 1rpt s THR 316 CO -0.09 -0.29 2.29 -0.74 -2.21 0.00 0.00 174.62 173.58 1rpt h HIS 317 N -1.53 0.00 -2.48 9.09 2.76 -1.93 -2.57 115.15 118.50 1rpt h HIS 317 Ca -0.44 0.00 -0.75 0.00 -2.20 0.00 0.00 60.37 56.98 1rpt h HIS 317 Cb 1.25 0.00 -0.32 0.00 1.55 0.00 0.00 27.41 29.90 1rpt h HIS 317 CO 0.53 0.00 0.49 0.43 -1.30 0.00 0.00 177.93 178.08 1rpt n SER 318 N -3.07 6.14 -4.65 3.26 7.64 -1.26 -4.53 113.62 117.15 1rpt n SER 318 Ca -0.02 -3.56 -0.49 0.00 1.01 0.00 0.00 58.87 55.80 1rpt n SER 318 Cb 0.12 -1.05 -0.05 0.00 -1.01 0.00 0.00 64.21 62.22 1rpt n SER 318 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rpt s PRO 320 N 1.49 2.61 0.02 0.00 0.04 -1.26 -0.47 135.00 137.43 1rpt s PRO 320 Ca 0.85 1.64 -0.15 0.00 0.04 0.00 0.00 61.00 63.37 1rpt s PRO 320 Cb -0.81 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 31.75 1rpt s PRO 320 CO 0.45 -1.44 1.12 1.25 0.04 0.00 0.00 177.00 178.42 1rpt h LEU 321 N 0.16 -0.45 -1.70 -3.56 5.85 -1.23 0.11 115.31 114.49 1rpt h LEU 321 Ca -0.48 0.02 0.29 0.00 0.84 0.00 0.00 57.88 58.54 1rpt h LEU 321 Cb 1.28 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 42.36 1rpt h LEU 321 CO 0.53 -0.30 0.72 -0.33 -0.34 0.00 0.00 178.44 178.72 1rpt h GLU 322 N -0.58 0.19 0.06 1.25 4.39 -1.93 -0.24 114.58 117.71 1rpt h GLU 322 Ca -0.05 -0.01 -0.19 0.00 0.34 0.00 0.00 59.36 59.45 1rpt h GLU 322 Cb 0.41 -0.04 0.02 0.00 -0.10 0.00 0.00 28.75 29.04 1rpt h GLU 322 CO 0.09 0.12 -0.77 -0.22 -1.16 0.00 0.00 179.01 177.08 1rpt h LYS 323 N 0.19 0.41 -0.36 2.33 3.64 -1.82 -1.51 116.57 119.46 1rpt h LYS 323 Ca 0.55 -0.53 0.08 0.00 -1.27 0.00 0.00 60.65 59.48 1rpt h LYS 323 Cb 1.77 0.17 -0.08 0.00 -0.41 0.00 0.00 32.23 33.68 1rpt h LYS 323 CO -0.14 1.19 -0.21 0.35 -2.27 0.00 0.00 179.45 178.37 1rpt h PHE 324 N -0.12 -0.55 -0.53 1.91 3.04 0.91 0.25 116.94 121.85 1rpt h PHE 324 Ca -0.11 0.04 0.07 0.00 3.98 0.00 0.00 57.97 61.95 1rpt h PHE 324 Cb 1.51 0.30 -0.06 0.00 2.56 0.00 0.00 35.95 40.26 1rpt h PHE 324 CO 0.16 -0.29 0.20 0.00 -2.02 0.00 0.00 178.31 176.36 1rpt h ALA 325 N 1.03 0.66 -0.50 2.41 0.00 -1.28 -2.65 119.26 118.94 1rpt h ALA 325 Ca 0.18 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1rpt h ALA 325 Cb 0.44 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1rpt h ALA 325 CO -0.45 -0.19 0.26 1.49 0.00 0.00 0.00 179.25 180.36 1rpt h GLU 326 N 0.39 0.70 0.30 0.00 4.22 0.25 -0.89 114.58 119.55 1rpt h GLU 326 Ca 0.26 -0.09 -0.01 0.00 0.08 0.00 0.00 59.36 59.59 1rpt h GLU 326 Cb 0.27 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1rpt h GLU 326 CO -0.25 0.56 -0.15 -0.07 -2.18 0.00 0.00 179.01 176.93 1rpt h LEU 327 N 0.66 -0.35 -1.98 1.64 3.38 -0.44 -3.23 115.31 114.99 1rpt h LEU 327 Ca 0.17 -0.16 0.11 0.00 0.09 0.00 0.00 57.88 58.09 1rpt h LEU 327 Cb 0.08 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1rpt h LEU 327 CO -0.03 -0.02 0.43 -0.07 0.09 0.00 0.00 178.44 178.84 1rpt h LEU 328 N -0.70 0.00 -1.65 1.67 -0.00 -1.09 -3.31 115.31 110.24 1rpt h LEU 328 Ca -0.04 0.00 0.09 0.00 -0.00 0.00 0.00 57.88 57.93 1rpt h LEU 328 Cb 0.48 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.13 1rpt h LEU 328 CO 0.07 0.00 0.57 -0.78 -0.00 0.00 0.00 178.44 178.29 1rpt h ASP 329 N 0.00 0.00 1.24 -0.43 3.58 -1.20 0.28 116.42 119.90 1rpt h ASP 329 Ca 0.17 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.62 1rpt h ASP 329 Cb 1.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.07 1rpt h ASP 329 CO -0.00 0.00 -0.16 -0.81 -2.88 0.00 0.00 179.24 175.39 1rpt n PRO 330 N -3.23 0.23 -0.46 0.28 -0.04 -1.25 -3.32 135.00 127.21 1rpt n PRO 330 Ca 0.05 0.15 0.11 0.00 -0.04 0.00 0.00 63.50 63.78 1rpt n PRO 330 Cb 0.70 -1.73 0.34 0.00 -0.04 0.00 0.00 33.50 32.77 1rpt n PRO 330 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1rpt n VAL 331 N -2.10 1.27 -3.18 0.52 0.24 0.98 -4.83 118.33 111.23 1rpt n VAL 331 Ca 0.05 -1.06 -0.43 0.00 -2.04 0.00 0.00 64.34 60.86 1rpt n VAL 331 Cb 0.42 0.38 -0.07 0.00 -1.47 0.00 0.00 33.84 33.10 1rpt n VAL 331 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1rpt s ILE 332 N -1.27 4.91 -0.12 1.34 -1.09 -1.17 -4.13 121.20 119.67 1rpt s ILE 332 Ca 0.50 -0.07 -0.34 0.00 -2.23 0.00 0.00 60.65 58.51 1rpt s ILE 332 Cb 0.28 -4.16 -0.16 0.00 -1.58 0.00 0.00 42.46 36.84 1rpt s ILE 332 CO 0.31 -0.56 1.00 -0.81 -1.23 0.00 0.00 174.94 173.65 1rpt n PRO 333 N 6.06 0.00 0.08 2.79 -0.04 -1.26 -4.92 135.00 137.71 1rpt n PRO 333 Ca -0.04 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.40 1rpt n PRO 333 Cb 0.48 -1.23 -0.06 0.00 -0.04 0.00 0.00 33.50 32.65 1rpt n PRO 333 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1rpt h GLN 334 N 2.92 0.00 -1.61 0.54 -0.00 -1.95 -3.45 115.11 111.56 1rpt h GLN 334 Ca -0.40 0.00 0.06 0.00 -0.00 0.00 0.00 58.65 58.31 1rpt h GLN 334 Cb 1.15 0.00 -0.25 0.00 0.00 0.00 0.00 27.48 28.39 1rpt h GLN 334 CO 0.61 0.70 0.47 0.34 0.00 0.00 0.00 178.83 180.94 1rpt s ASP 335 N -6.48 -0.44 0.00 -0.69 -1.08 -1.26 -5.09 116.67 101.64 1rpt s ASP 335 Ca 0.01 0.70 0.00 0.00 -0.52 0.00 0.00 52.55 52.74 1rpt s ASP 335 Cb 0.09 0.66 0.00 0.00 -1.46 0.00 0.00 42.92 42.21 1rpt s ASP 335 CO 0.79 -0.25 0.06 1.87 0.52 0.00 0.00 175.17 178.16 1rpt n TRP 336 N 1.61 0.00 0.00 -5.34 -0.00 -1.26 -3.80 117.44 108.64 1rpt n TRP 336 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.38 1rpt n TRP 336 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.88 1rpt n TRP 336 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1rpt n ALA 337 N -1.72 0.00 -0.28 5.87 0.00 -1.26 0.59 120.51 123.71 1rpt n ALA 337 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1rpt n ALA 337 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.61 1rpt n ALA 337 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1rpt h THR 338 N 0.00 0.89 -0.66 0.00 1.35 -1.98 0.19 112.91 112.69 1rpt h THR 338 Ca 0.00 -0.25 0.01 0.00 -0.55 0.00 0.00 66.41 65.62 1rpt h THR 338 Cb 0.00 0.09 -0.04 0.00 -1.73 0.00 0.00 68.15 66.48 1rpt h THR 338 CO 0.00 0.13 0.43 -0.08 -0.25 0.00 0.00 175.52 175.76 1rpt h GLU 339 N 0.73 0.85 0.00 4.72 4.81 0.05 -0.14 114.58 125.60 1rpt h GLU 339 Ca 0.38 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 1rpt h GLU 339 Cb 0.37 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1rpt h GLU 339 CO -0.25 0.56 0.00 0.00 -0.73 0.00 0.00 179.01 178.59 1rpt s MET 341 N -2.48 1.28 0.00 0.00 -1.94 -0.07 -0.29 119.30 115.81 1rpt s MET 341 Ca 0.05 -0.80 0.00 0.00 -1.71 0.00 0.00 55.69 53.23 1rpt s MET 341 Cb 0.03 -2.13 0.00 0.00 2.01 0.00 0.00 34.83 34.74 1rpt s MET 341 CO 0.07 -1.83 0.00 0.41 -0.01 0.00 0.00 175.02 173.66