#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rpa s GLU 2 N 0.00 0.24 -0.23 1.64 -6.30 0.13 -4.92 118.70 109.26 1rpa s GLU 2 Ca 0.00 0.47 -0.26 0.00 -2.50 0.00 0.00 54.97 52.68 1rpa s GLU 2 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 34.13 34.10 1rpa s GLU 2 CO 0.00 -0.12 0.91 -1.17 0.02 0.00 0.00 175.26 174.90 1rpa s LEU 3 N 0.88 4.09 -0.24 2.70 2.96 -1.26 0.63 118.68 128.44 1rpa s LEU 3 Ca -0.06 1.17 -0.04 0.00 -0.22 0.00 0.00 54.13 54.98 1rpa s LEU 3 Cb -0.07 -3.32 -0.18 0.00 0.50 0.00 0.00 46.19 43.12 1rpa s LEU 3 CO -0.06 -0.57 -0.13 0.29 -1.32 0.00 0.00 176.35 174.56 1rpa n LYS 4 N 6.09 0.65 -4.26 1.98 5.02 0.89 -4.94 118.16 123.60 1rpa n LYS 4 Ca 0.08 0.22 -0.14 0.00 -2.02 0.00 0.00 58.31 56.44 1rpa n LYS 4 Cb 0.47 -1.56 -0.10 0.00 -0.02 0.00 0.00 35.03 33.82 1rpa n LYS 4 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1rpa s PHE 5 N -2.52 1.34 -0.23 2.13 5.36 -1.11 -4.56 117.98 118.40 1rpa s PHE 5 Ca -0.33 -1.28 -0.05 0.00 -0.96 0.00 0.00 56.93 54.30 1rpa s PHE 5 Cb 0.10 -0.72 0.12 0.00 -0.34 0.00 0.00 43.02 42.17 1rpa s PHE 5 CO 0.60 -0.49 0.43 0.08 -1.46 0.00 0.00 175.22 174.38 1rpa s VAL 6 N -3.96 -0.68 0.09 3.12 1.01 -1.24 -2.47 120.40 116.26 1rpa s VAL 6 Ca 0.38 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.44 1rpa s VAL 6 Cb 0.07 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 1rpa s VAL 6 CO 0.13 -0.01 0.22 -0.89 0.00 0.00 0.00 175.10 174.55 1rpa s THR 7 N 2.62 5.28 -0.45 3.92 2.01 0.25 -2.82 115.64 126.46 1rpa s THR 7 Ca 0.05 -0.53 0.04 0.00 0.31 0.00 0.00 61.69 61.56 1rpa s THR 7 Cb -0.13 -3.62 0.17 0.00 0.01 0.00 0.00 72.50 68.92 1rpa s THR 7 CO -0.15 0.06 0.35 -0.76 -0.69 0.00 0.00 174.62 173.43 1rpa s LEU 8 N -2.74 1.87 0.16 4.42 1.43 -1.16 -0.94 118.68 121.71 1rpa s LEU 8 Ca 0.34 -3.09 -0.30 0.00 -1.03 0.00 0.00 54.13 50.05 1rpa s LEU 8 Cb -0.12 -0.61 -0.08 0.00 0.03 0.00 0.00 46.19 45.41 1rpa s LEU 8 CO 0.28 -0.17 1.21 0.54 0.23 0.00 0.00 176.35 178.44 1rpa s VAL 9 N -0.06 3.62 0.12 -1.59 0.11 -1.24 -3.51 120.40 117.84 1rpa s VAL 9 Ca 0.30 1.31 -0.01 0.00 -2.93 0.00 0.00 61.98 60.65 1rpa s VAL 9 Cb -0.00 -3.84 -0.04 0.00 -1.53 0.00 0.00 36.38 30.97 1rpa s VAL 9 CO -0.17 0.18 0.04 0.72 -3.33 0.00 0.00 175.10 172.54 1rpa s PHE 10 N 0.21 0.84 0.02 1.54 -0.12 -0.88 -1.60 117.98 117.99 1rpa s PHE 10 Ca 0.55 -1.20 -0.01 0.00 -0.05 0.00 0.00 56.93 56.22 1rpa s PHE 10 Cb -0.32 -0.48 -0.04 0.00 -0.63 0.00 0.00 43.02 41.54 1rpa s PHE 10 CO 0.35 -0.48 0.17 0.50 -0.05 0.00 0.00 175.22 175.72 1rpa s ARG 11 N -4.02 3.36 0.64 1.99 3.52 -0.01 -1.68 118.95 122.75 1rpa s ARG 11 Ca 0.22 -0.40 -0.17 0.00 -0.13 0.00 0.00 55.73 55.25 1rpa s ARG 11 Cb 0.07 -3.03 -0.05 0.00 -1.56 0.00 0.00 34.95 30.38 1rpa s ARG 11 CO 0.00 0.65 0.68 -2.39 -0.81 0.00 0.00 175.30 173.43 1rpa n HIS 12 N 0.74 -0.21 0.00 5.12 1.44 -1.20 -2.41 115.22 118.70 1rpa n HIS 12 Ca -0.09 0.41 0.00 0.00 -2.01 0.00 0.00 57.72 56.03 1rpa n HIS 12 Cb 0.52 -2.00 0.00 0.00 0.12 0.00 0.00 29.99 28.63 1rpa n HIS 12 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1rpa n GLY 13 N 1.56 -1.10 3.65 -1.39 0.00 -1.26 -2.96 105.19 103.69 1rpa n GLY 13 Ca 0.12 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.22 1rpa n GLY 13 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1rpa n ASP 14 N 0.00 1.84 -4.07 1.61 2.03 -1.26 -4.81 116.55 111.89 1rpa n ASP 14 Ca 0.00 1.06 -0.10 0.00 0.52 0.00 0.00 54.79 56.27 1rpa n ASP 14 Cb 0.00 -1.42 -0.08 0.00 -0.72 0.00 0.00 41.12 38.90 1rpa n ASP 14 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1rpa s ARG 15 N -2.13 1.19 0.87 -0.67 1.70 -1.26 -2.01 118.95 116.64 1rpa s ARG 15 Ca 0.63 -1.36 -0.10 0.00 -0.47 0.00 0.00 55.73 54.43 1rpa s ARG 15 Cb -0.53 0.34 0.18 0.00 -0.57 0.00 0.00 34.95 34.36 1rpa s ARG 15 CO 0.57 -0.42 1.19 0.20 -1.08 0.00 0.00 175.30 175.76 1rpa s GLY 16 N -3.04 1.78 0.70 3.88 0.00 -0.70 -4.78 107.32 105.14 1rpa s GLY 16 Ca 0.25 -1.47 -0.13 0.00 0.00 0.00 0.00 44.72 43.37 1rpa s GLY 16 CO 0.05 -0.77 1.09 -4.14 0.00 0.00 0.00 173.10 169.34 1rpa s PRO 17 N -5.59 2.67 -0.17 2.90 0.02 -1.26 -4.04 135.00 129.53 1rpa s PRO 17 Ca 0.71 1.24 -0.14 0.00 0.02 0.00 0.00 61.00 62.83 1rpa s PRO 17 Cb -0.04 -1.94 -0.06 0.00 0.02 0.00 0.00 34.50 32.48 1rpa s PRO 17 CO 0.50 -1.33 -0.22 -0.89 -0.33 0.00 0.00 177.00 174.72 1rpa n ILE 18 N -2.88 1.46 -4.44 2.83 5.41 -1.26 -0.43 119.36 120.05 1rpa n ILE 18 Ca 0.09 0.14 -0.25 0.00 1.00 0.00 0.00 62.75 63.73 1rpa n ILE 18 Cb 0.53 -2.32 -0.09 0.00 -0.71 0.00 0.00 39.64 37.04 1rpa n ILE 18 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1rpa s GLU 19 N -2.51 1.89 0.06 0.38 2.02 -1.26 -4.55 118.70 114.72 1rpa s GLU 19 Ca -0.22 -1.78 0.01 0.00 0.02 0.00 0.00 54.97 53.00 1rpa s GLU 19 Cb 0.04 -1.83 -0.00 0.00 0.10 0.00 0.00 34.13 32.43 1rpa s GLU 19 CO 0.34 0.22 0.04 -2.37 0.02 0.00 0.00 175.26 173.52 1rpa n THR 20 N -0.79 0.00 -4.18 3.63 5.66 -1.26 -4.46 114.28 112.88 1rpa n THR 20 Ca -0.05 -0.42 -0.28 0.00 -3.05 0.00 0.00 64.05 60.24 1rpa n THR 20 Cb 0.62 0.20 -0.08 0.00 -1.55 0.00 0.00 70.33 69.51 1rpa n THR 20 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1rpa s PHE 21 N -2.12 2.88 0.46 1.09 -0.71 -1.18 -4.87 117.98 113.52 1rpa s PHE 21 Ca 0.06 -0.10 0.19 0.00 -1.04 0.00 0.00 56.93 56.04 1rpa s PHE 21 Cb 0.00 -1.45 1.16 0.00 -1.21 0.00 0.00 43.02 41.52 1rpa s PHE 21 CO 0.04 0.49 1.94 -1.35 -1.34 0.00 0.00 175.22 175.00 1rpa h PRO 22 N 3.14 0.28 -0.23 1.99 0.11 -1.79 -0.30 132.00 135.20 1rpa h PRO 22 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1rpa h PRO 22 Cb 1.18 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1rpa h PRO 22 CO 0.57 0.19 0.00 0.09 -0.21 0.00 0.00 178.00 178.64 1rpa n ASN 23 N -4.45 1.63 -4.66 -2.05 3.02 -1.03 -4.90 115.26 102.83 1rpa n ASN 23 Ca 0.13 -1.83 -0.42 0.00 -0.03 0.00 0.00 54.58 52.43 1rpa n ASN 23 Cb 0.56 -0.15 -0.03 0.00 -0.61 0.00 0.00 39.78 39.55 1rpa n ASN 23 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1rpa s ASP 24 N -1.31 6.74 0.44 6.41 -1.08 -0.13 -4.93 116.67 122.82 1rpa s ASP 24 Ca 0.27 2.09 0.24 0.00 -0.52 0.00 0.00 52.55 54.63 1rpa s ASP 24 Cb 0.14 -2.53 0.57 0.00 -1.46 0.00 0.00 42.92 39.64 1rpa s ASP 24 CO 0.21 -0.89 1.68 1.55 0.52 0.00 0.00 175.17 178.25 1rpa h PRO 25 N 9.21 0.00 -5.95 4.34 0.13 -1.90 -3.42 132.00 134.41 1rpa h PRO 25 Ca -0.36 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.28 1rpa h PRO 25 Cb 1.16 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 1rpa h PRO 25 CO 0.96 0.09 1.38 0.42 -0.23 0.00 0.00 178.00 180.62 1rpa s ILE 26 N -3.31 3.32 0.68 -3.56 1.09 -1.26 -4.97 121.20 113.19 1rpa s ILE 26 Ca 0.05 0.18 -0.11 0.00 -1.10 0.00 0.00 60.65 59.67 1rpa s ILE 26 Cb 0.07 -3.86 -0.00 0.00 -1.06 0.00 0.00 42.46 37.61 1rpa s ILE 26 CO 0.65 -0.83 1.06 -0.54 -0.10 0.00 0.00 174.94 175.18 1rpa s LYS 27 N 7.15 3.08 0.58 2.79 -0.14 -1.26 -4.92 119.74 127.02 1rpa s LYS 27 Ca 0.70 0.72 0.31 0.00 -1.36 0.00 0.00 55.97 56.35 1rpa s LYS 27 Cb -0.13 -2.02 1.40 0.00 -1.68 0.00 0.00 37.83 35.40 1rpa s LYS 27 CO 0.21 -0.94 1.75 1.49 -0.76 0.00 0.00 175.35 177.10 1rpa h GLU 28 N -0.59 0.00 0.00 1.68 4.22 -1.93 -2.21 114.58 115.75 1rpa h GLU 28 Ca -0.45 0.00 -0.05 0.00 0.08 0.00 0.00 59.36 58.95 1rpa h GLU 28 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1rpa h GLU 28 CO 0.61 0.00 -0.22 0.66 -2.18 0.00 0.00 179.01 177.88 1rpa h SER 29 N 0.00 0.00 0.40 1.04 4.64 -1.98 -2.38 113.55 115.28 1rpa h SER 29 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1rpa h SER 29 Cb 1.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.00 1rpa h SER 29 CO -0.00 0.22 0.00 -1.20 -0.87 0.00 0.00 176.83 174.97 1rpa n SER 30 N -3.18 0.35 -4.47 4.97 7.64 -0.83 -4.18 113.62 113.92 1rpa n SER 30 Ca 0.03 0.61 -0.37 0.00 1.01 0.00 0.00 58.87 60.14 1rpa n SER 30 Cb 0.59 -0.68 -0.12 0.00 -1.01 0.00 0.00 64.21 62.99 1rpa n SER 30 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1rpa s TRP 31 N -3.22 3.14 -0.12 1.43 0.52 -0.90 -5.00 118.94 114.79 1rpa s TRP 31 Ca 0.03 -0.35 -0.12 0.00 0.02 0.00 0.00 56.10 55.67 1rpa s TRP 31 Cb 0.07 -2.30 -0.11 0.00 -1.15 0.00 0.00 33.47 29.98 1rpa s TRP 31 CO 0.25 -0.35 0.27 -1.35 0.02 0.00 0.00 176.95 175.80 1rpa h PRO 32 N 8.30 0.00 -0.70 4.98 0.11 -1.81 -3.14 132.00 139.74 1rpa h PRO 32 Ca -0.36 0.00 0.20 0.00 0.11 0.00 0.00 66.00 65.95 1rpa h PRO 32 Cb 1.17 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1rpa h PRO 32 CO 0.58 0.42 0.53 1.96 -0.21 0.00 0.00 178.00 181.28 1rpa h GLN 33 N -1.00 0.00 0.00 1.05 7.50 -1.92 -3.49 115.11 117.25 1rpa h GLN 33 Ca -0.02 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.13 1rpa h GLN 33 Cb 0.48 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.01 1rpa h GLN 33 CO -0.01 0.00 0.00 0.41 -1.50 0.00 0.00 178.83 177.73 1rpa n GLY 34 N -1.66 2.32 3.72 3.46 0.00 -1.19 -4.77 105.19 107.08 1rpa n GLY 34 Ca 0.14 -1.99 -0.34 0.00 0.00 0.00 0.00 46.02 43.83 1rpa n GLY 34 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rpa s PHE 35 N -2.58 1.99 0.00 1.61 0.08 -1.26 -1.24 117.98 116.58 1rpa s PHE 35 Ca 0.00 1.61 0.00 0.00 0.12 0.00 0.00 56.93 58.66 1rpa s PHE 35 Cb 0.00 -3.49 0.00 0.00 -0.57 0.00 0.00 43.02 38.96 1rpa s PHE 35 CO 0.00 -2.69 0.00 0.41 -0.10 0.00 0.00 175.22 172.84 1rpa n GLY 36 N 0.44 0.01 3.76 4.36 0.00 0.43 -4.94 105.19 109.26 1rpa n GLY 36 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 1rpa n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rpa s GLN 37 N -1.50 3.68 -0.03 1.61 -1.52 -0.37 -4.64 119.66 116.89 1rpa s GLN 37 Ca 0.00 -0.24 -0.37 0.00 -1.95 0.00 0.00 55.36 52.80 1rpa s GLN 37 Cb 0.00 -3.20 -0.16 0.00 -0.22 0.00 0.00 33.01 29.44 1rpa s GLN 37 CO 0.00 0.54 1.53 -0.11 -0.25 0.00 0.00 175.29 177.00 1rpa n LEU 38 N 2.73 2.16 -4.90 2.90 7.94 -1.26 -1.73 117.00 124.84 1rpa n LEU 38 Ca -0.18 1.09 -0.28 0.00 -1.11 0.00 0.00 56.01 55.53 1rpa n LEU 38 Cb 0.53 -1.21 0.02 0.00 0.53 0.00 0.00 43.42 43.29 1rpa n LEU 38 CO 0.33 -0.70 0.56 0.42 -1.11 0.00 0.00 177.39 176.89 1rpa s THR 39 N 1.74 4.34 0.57 1.96 -4.23 -0.85 -4.89 115.64 114.28 1rpa s THR 39 Ca 0.89 0.31 0.27 0.00 -1.18 0.00 0.00 61.69 61.98 1rpa s THR 39 Cb -0.94 -3.70 0.37 0.00 1.34 0.00 0.00 72.50 69.57 1rpa s THR 39 CO 0.52 -0.77 2.02 0.11 -0.54 0.00 0.00 174.62 175.96 1rpa h LYS 40 N -0.10 0.00 0.00 3.99 1.57 -1.94 0.24 116.57 120.34 1rpa h LYS 40 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1rpa h LYS 40 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1rpa h LYS 40 CO 0.62 0.00 0.00 2.35 -0.57 0.00 0.00 179.45 181.85 1rpa h TRP 41 N 0.00 0.00 -0.43 -1.35 7.01 -1.93 -1.49 115.95 117.76 1rpa h TRP 41 Ca 0.17 0.00 -0.15 0.00 2.11 0.00 0.00 58.89 61.02 1rpa h TRP 41 Cb 0.79 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.84 1rpa h TRP 41 CO 0.00 0.00 -0.30 0.78 -2.79 0.00 0.00 178.44 176.13 1rpa h GLY 42 N 2.43 1.04 0.87 2.65 0.00 -0.63 0.17 103.07 109.60 1rpa h GLY 42 Ca 0.00 -0.99 -0.03 0.00 0.00 0.00 0.00 47.33 46.31 1rpa h GLY 42 CO 0.00 0.90 -0.27 -0.33 0.00 0.00 0.00 176.54 176.84 1rpa h MET 43 N 0.81 -0.73 -0.99 4.80 2.86 -1.42 -2.44 114.93 117.82 1rpa h MET 43 Ca 0.09 0.05 0.10 0.00 -2.06 0.00 0.00 59.70 57.87 1rpa h MET 43 Cb 0.88 0.17 -0.08 0.00 0.06 0.00 0.00 31.60 32.63 1rpa h MET 43 CO 0.08 -0.43 0.63 0.78 1.06 0.00 0.00 176.91 179.03 1rpa h GLY 44 N -0.90 1.56 1.00 8.32 0.00 -1.12 -0.61 103.07 111.34 1rpa h GLY 44 Ca -0.08 -0.44 0.01 0.00 0.00 0.00 0.00 47.33 46.82 1rpa h GLY 44 CO 0.13 0.23 0.58 1.46 0.00 0.00 0.00 176.54 178.94 1rpa h GLN 45 N 1.05 1.15 0.00 4.80 4.20 -0.44 -0.83 115.11 125.04 1rpa h GLN 45 Ca 0.47 -0.07 -0.11 0.00 0.06 0.00 0.00 58.65 59.00 1rpa h GLN 45 Cb 0.36 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1rpa h GLN 45 CO -0.22 0.76 -0.50 0.45 -0.67 0.00 0.00 178.83 178.65 1rpa h HIS 46 N 1.18 0.00 -0.35 2.96 3.86 -0.93 -0.53 115.15 121.35 1rpa h HIS 46 Ca 0.32 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.55 1rpa h HIS 46 Cb -0.13 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.31 1rpa h HIS 46 CO -0.01 0.50 0.18 -0.92 0.86 0.00 0.00 177.93 178.54 1rpa h TYR 47 N 0.00 0.34 0.56 2.45 3.20 0.28 -1.40 116.97 122.40 1rpa h TYR 47 Ca -0.01 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 1rpa h TYR 47 Cb 1.14 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.31 1rpa h TYR 47 CO 0.00 0.19 -0.28 1.49 -1.64 0.00 0.00 178.16 177.92 1rpa h GLU 48 N 0.38 -0.73 -0.94 1.82 4.22 -1.22 0.21 114.58 118.31 1rpa h GLU 48 Ca 0.14 0.05 0.26 0.00 0.08 0.00 0.00 59.36 59.89 1rpa h GLU 48 Cb 0.04 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 1rpa h GLU 48 CO -0.09 -0.49 0.66 1.25 -2.18 0.00 0.00 179.01 178.17 1rpa h LEU 49 N -0.76 0.11 0.01 1.64 7.12 -1.04 -0.56 115.31 121.83 1rpa h LEU 49 Ca -0.08 0.01 -0.00 0.00 0.13 0.00 0.00 57.88 57.95 1rpa h LEU 49 Cb 0.59 -0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.71 1rpa h LEU 49 CO 0.12 0.03 -0.01 1.23 -0.13 0.00 0.00 178.44 179.69 1rpa h GLY 50 N 0.10 -0.02 1.48 3.75 0.00 -0.01 -1.80 103.07 106.58 1rpa h GLY 50 Ca 0.46 0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.76 1rpa h GLY 50 CO -0.06 -0.01 0.08 1.76 0.00 0.00 0.00 176.54 178.31 1rpa h SER 51 N -0.73 0.61 0.29 0.19 0.02 -0.61 -0.64 113.55 112.68 1rpa h SER 51 Ca -0.00 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 1rpa h SER 51 Cb 0.70 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1rpa h SER 51 CO 0.00 0.63 -0.14 0.22 -1.14 0.00 0.00 176.83 176.40 1rpa h TYR 52 N 0.64 -0.36 -0.00 3.45 3.20 -0.96 -1.71 116.97 121.21 1rpa h TYR 52 Ca 0.14 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1rpa h TYR 52 Cb 0.28 0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.67 1rpa h TYR 52 CO 0.01 -0.07 0.00 0.82 -1.64 0.00 0.00 178.16 177.28 1rpa h ILE 53 N -0.64 0.79 -0.74 1.81 2.04 -1.01 0.30 117.51 120.06 1rpa h ILE 53 Ca -0.04 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.77 1rpa h ILE 53 Cb 0.45 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 1rpa h ILE 53 CO 0.07 0.00 0.26 -0.09 0.00 0.00 0.00 178.15 178.39 1rpa h ARG 54 N 0.00 1.13 -0.13 2.37 2.43 -0.84 0.22 114.38 119.57 1rpa h ARG 54 Ca 0.00 -0.23 -0.03 0.00 -0.81 0.00 0.00 59.98 58.92 1rpa h ARG 54 Cb 0.01 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.38 1rpa h ARG 54 CO -0.00 0.95 -0.03 -0.09 -1.51 0.00 0.00 179.97 179.28 1rpa h ARG 55 N 1.09 0.25 -0.15 0.20 1.12 0.32 -1.32 114.38 115.88 1rpa h ARG 55 Ca 0.24 -0.10 -0.16 0.00 -1.11 0.00 0.00 59.98 58.85 1rpa h ARG 55 Cb 0.26 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.20 1rpa h ARG 55 CO -0.01 0.55 -0.59 -0.09 -3.11 0.00 0.00 179.97 176.71 1rpa h ARG 56 N -0.07 0.48 -0.25 0.20 2.43 -0.33 -3.25 114.38 113.59 1rpa h ARG 56 Ca 0.03 -0.32 -0.03 0.00 -0.81 0.00 0.00 59.98 58.85 1rpa h ARG 56 Cb 0.46 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 1rpa h ARG 56 CO 0.01 0.93 -0.01 0.66 -1.51 0.00 0.00 179.97 180.06 1rpa n TYR 57 N -3.93 0.89 0.12 2.20 4.01 0.74 -4.79 117.16 116.42 1rpa n TYR 57 Ca -0.03 -1.01 -0.13 0.00 -0.16 0.00 0.00 57.90 56.57 1rpa n TYR 57 Cb 0.63 -0.33 -0.06 0.00 -0.31 0.00 0.00 39.34 39.26 1rpa n TYR 57 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1rpa h GLY 58 N 1.51 -0.39 0.99 2.72 0.00 -1.27 0.16 103.07 106.78 1rpa h GLY 58 Ca 0.04 0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.56 1rpa h GLY 58 CO 0.23 -0.19 0.25 3.21 0.00 0.00 0.00 176.54 180.05 1rpa h ARG 59 N -0.40 0.86 0.00 4.80 3.08 -1.85 0.17 114.38 121.04 1rpa h ARG 59 Ca 0.01 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 1rpa h ARG 59 Cb 0.40 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 1rpa h ARG 59 CO -0.08 0.72 -0.03 0.35 -1.07 0.00 0.00 179.97 179.87 1rpa h PHE 60 N 0.80 0.00 -0.01 3.04 3.57 -1.12 -2.28 116.94 120.94 1rpa h PHE 60 Ca 0.20 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1rpa h PHE 60 Cb 0.17 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.91 1rpa h PHE 60 CO 0.00 0.03 0.00 1.28 -2.23 0.00 0.00 178.31 177.39 1rpa n LEU 61 N -3.54 1.50 -2.27 0.59 4.32 -0.07 -4.97 117.00 112.57 1rpa n LEU 61 Ca -0.03 -1.03 -0.17 0.00 -0.02 0.00 0.00 56.01 54.77 1rpa n LEU 61 Cb 0.12 -0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 41.90 1rpa n LEU 61 CO 0.26 0.32 -0.21 -3.20 -1.22 0.00 0.00 177.39 173.34 1rpa n ASN 62 N 0.31 -4.86 -3.53 -1.43 5.15 0.54 -0.43 115.26 111.01 1rpa n ASN 62 Ca 0.03 0.14 -0.28 0.00 -0.60 0.00 0.00 54.58 53.87 1rpa n ASN 62 Cb 0.15 -4.13 -0.05 0.00 -0.53 0.00 0.00 39.78 35.22 1rpa n ASN 62 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1rpa n ASN 63 N -1.75 -1.24 -4.33 1.20 4.13 -1.09 -4.92 115.26 107.26 1rpa n ASN 63 Ca -0.19 -0.81 -0.26 0.00 1.68 0.00 0.00 54.58 55.00 1rpa n ASN 63 Cb 0.63 -1.09 -0.13 0.00 -1.54 0.00 0.00 39.78 37.66 1rpa n ASN 63 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1rpa s SER 64 N -2.50 2.84 -0.32 6.41 0.01 0.43 -4.94 113.70 115.63 1rpa s SER 64 Ca 0.55 -0.72 -0.10 0.00 1.31 0.00 0.00 55.95 57.00 1rpa s SER 64 Cb -0.32 -0.17 -0.00 0.00 0.21 0.00 0.00 66.02 65.73 1rpa s SER 64 CO 0.68 0.10 0.15 -0.47 0.41 0.00 0.00 173.24 174.11 1rpa s TYR 65 N -1.18 3.18 -0.18 2.43 5.04 -1.26 -4.96 117.35 120.43 1rpa s TYR 65 Ca 0.10 -0.62 0.01 0.00 -2.44 0.00 0.00 57.07 54.12 1rpa s TYR 65 Cb -0.10 -2.36 0.03 0.00 0.35 0.00 0.00 41.96 39.89 1rpa s TYR 65 CO 0.05 -0.48 -0.13 0.15 -1.34 0.00 0.00 175.55 173.81 1rpa s LYS 66 N 1.60 2.24 0.64 4.97 1.02 -1.26 -5.00 119.74 123.95 1rpa s LYS 66 Ca 0.04 -0.73 0.05 0.00 0.02 0.00 0.00 55.97 55.35 1rpa s LYS 66 Cb -0.17 -2.31 0.17 0.00 -0.52 0.00 0.00 37.83 34.99 1rpa s LYS 66 CO 0.06 -0.33 1.04 -2.39 -0.92 0.00 0.00 175.35 172.81 1rpa n HIS 67 N 4.71 0.00 -0.06 3.18 1.44 -1.26 0.10 115.22 123.33 1rpa n HIS 67 Ca -0.16 0.00 -0.16 0.00 -2.01 0.00 0.00 57.72 55.39 1rpa n HIS 67 Cb 0.48 -0.05 -0.13 0.00 0.12 0.00 0.00 29.99 30.41 1rpa n HIS 67 CO 0.00 0.00 0.00 0.38 -2.81 0.00 0.00 176.34 173.91 1rpa h ASP 68 N 0.00 0.06 -0.57 4.39 2.03 -1.94 -3.40 116.42 116.99 1rpa h ASP 68 Ca 0.09 -0.93 -0.04 0.00 -0.73 0.00 0.00 57.03 55.42 1rpa h ASP 68 Cb 2.14 -0.02 -0.02 0.00 -0.83 0.00 0.00 39.33 40.59 1rpa h ASP 68 CO -0.00 1.12 0.21 1.56 -1.03 0.00 0.00 179.24 181.10 1rpa h GLN 69 N -0.91 0.87 -5.19 4.15 4.20 -0.59 -3.44 115.11 114.20 1rpa h GLN 69 Ca -0.07 -0.17 -0.61 0.00 0.06 0.00 0.00 58.65 57.86 1rpa h GLN 69 Cb 1.13 -0.13 -0.14 0.00 0.30 0.00 0.00 27.48 28.64 1rpa h GLN 69 CO -0.01 0.76 -0.51 0.08 -0.67 0.00 0.00 178.83 178.49 1rpa s VAL 70 N -5.49 5.27 -0.08 -0.54 1.01 -1.22 -2.00 120.40 117.34 1rpa s VAL 70 Ca -0.13 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.02 1rpa s VAL 70 Cb 0.13 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 1rpa s VAL 70 CO 0.80 0.40 -0.14 -0.47 0.00 0.00 0.00 175.10 175.68 1rpa s TYR 71 N 0.66 2.73 -0.26 5.22 5.04 -0.20 -4.90 117.35 125.64 1rpa s TYR 71 Ca 0.07 -0.38 0.01 0.00 -2.44 0.00 0.00 57.07 54.33 1rpa s TYR 71 Cb -0.12 -1.71 0.07 0.00 0.35 0.00 0.00 41.96 40.55 1rpa s TYR 71 CO 0.01 0.01 -0.01 0.42 -1.34 0.00 0.00 175.55 174.64 1rpa s ILE 72 N -0.27 1.49 0.08 3.14 1.09 -1.26 -0.33 121.20 125.14 1rpa s ILE 72 Ca 0.02 -1.40 0.03 0.00 -1.10 0.00 0.00 60.65 58.20 1rpa s ILE 72 Cb -0.13 -1.88 -0.04 0.00 -1.06 0.00 0.00 42.46 39.35 1rpa s ILE 72 CO 0.03 -0.28 0.08 -0.60 -0.10 0.00 0.00 174.94 174.06 1rpa s ARG 73 N 1.37 2.87 0.20 2.79 3.00 -0.65 -2.19 118.95 126.35 1rpa s ARG 73 Ca -0.00 -0.69 0.05 0.00 -1.00 0.00 0.00 55.73 54.08 1rpa s ARG 73 Cb -0.19 -2.72 -0.02 0.00 0.00 0.00 0.00 34.95 32.02 1rpa s ARG 73 CO -0.10 0.57 0.17 0.45 0.00 0.00 0.00 175.30 176.39 1rpa n SER 74 N 0.48 -0.43 -4.88 -2.12 2.88 0.22 -1.83 113.62 107.94 1rpa n SER 74 Ca -0.09 -2.32 -0.35 0.00 -1.33 0.00 0.00 58.87 54.78 1rpa n SER 74 Cb 0.52 1.01 -0.05 0.00 -0.75 0.00 0.00 64.21 64.93 1rpa n SER 74 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1rpa s THR 75 N -2.82 5.37 -0.89 2.46 -4.23 -1.14 -4.47 115.64 109.93 1rpa s THR 75 Ca 0.24 -0.06 -0.12 0.00 -1.18 0.00 0.00 61.69 60.58 1rpa s THR 75 Cb 0.01 -3.44 -0.09 0.00 1.34 0.00 0.00 72.50 70.32 1rpa s THR 75 CO 0.17 0.43 2.06 -0.67 -0.54 0.00 0.00 174.62 176.07 1rpa n ASP 76 N 1.34 4.08 -3.94 3.99 2.03 -1.26 -4.08 116.55 118.71 1rpa n ASP 76 Ca -0.14 -2.47 -0.19 0.00 0.52 0.00 0.00 54.79 52.51 1rpa n ASP 76 Cb 0.53 -1.12 -0.16 0.00 -0.72 0.00 0.00 41.12 39.65 1rpa n ASP 76 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1rpa s VAL 77 N 3.95 0.56 0.17 5.18 1.01 -1.26 -4.81 120.40 125.20 1rpa s VAL 77 Ca 0.46 -0.21 -0.18 0.00 0.00 0.00 0.00 61.98 62.06 1rpa s VAL 77 Cb 0.12 -0.53 0.11 0.00 0.00 0.00 0.00 36.38 36.08 1rpa s VAL 77 CO 0.02 0.20 1.65 0.44 0.00 0.00 0.00 175.10 177.40 1rpa h ASP 78 N 6.64 -0.53 -0.30 3.32 5.19 -1.94 0.09 116.42 128.89 1rpa h ASP 78 Ca -0.35 0.14 0.09 0.00 -0.62 0.00 0.00 57.03 56.29 1rpa h ASP 78 Cb 1.17 0.31 -0.01 0.00 0.18 0.00 0.00 39.33 40.98 1rpa h ASP 78 CO 0.49 -0.19 0.27 0.08 -3.12 0.00 0.00 179.24 176.77 1rpa h ARG 79 N -0.07 0.00 0.13 3.56 0.11 -1.95 0.03 114.38 116.19 1rpa h ARG 79 Ca 0.20 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 59.93 1rpa h ARG 79 Cb 0.37 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.44 1rpa h ARG 79 CO -0.46 0.00 -1.86 1.79 0.10 0.00 0.00 179.97 179.54 1rpa h THR 80 N 0.00 0.78 -0.69 0.08 1.35 -1.29 -2.71 112.91 110.44 1rpa h THR 80 Ca 0.14 -2.47 -0.02 0.00 -0.55 0.00 0.00 66.41 63.51 1rpa h THR 80 Cb 0.67 2.59 -0.03 0.00 -1.73 0.00 0.00 68.15 69.66 1rpa h THR 80 CO -0.00 0.84 0.35 -0.07 -0.25 0.00 0.00 175.52 176.39 1rpa h LEU 81 N 0.07 0.89 -0.01 3.87 -0.00 -0.92 -2.22 115.31 117.00 1rpa h LEU 81 Ca -0.37 -0.12 -0.24 0.00 -0.00 0.00 0.00 57.88 57.15 1rpa h LEU 81 Cb 2.05 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 42.48 1rpa h LEU 81 CO 0.12 0.75 -1.09 0.24 -0.00 0.00 0.00 178.44 178.46 1rpa h MET 82 N 0.95 0.20 -0.49 1.13 2.86 -1.13 -2.26 114.93 116.20 1rpa h MET 82 Ca 0.24 -0.30 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1rpa h MET 82 Cb 0.09 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 1rpa h MET 82 CO -0.03 1.10 0.28 0.77 1.06 0.00 0.00 176.91 180.09 1rpa h SER 83 N 0.07 0.58 0.07 1.22 0.02 -1.22 -2.64 113.55 111.66 1rpa h SER 83 Ca -0.08 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1rpa h SER 83 Cb 1.80 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 64.19 1rpa h SER 83 CO 0.17 0.46 -0.03 0.00 -1.14 0.00 0.00 176.83 176.29 1rpa h ALA 84 N 1.64 -0.10 -0.75 3.77 0.00 -1.21 -2.86 119.26 119.75 1rpa h ALA 84 Ca 0.18 -0.28 0.17 0.00 0.00 0.00 0.00 54.91 54.97 1rpa h ALA 84 Cb -0.00 0.04 -0.13 0.00 0.00 0.00 0.00 17.79 17.70 1rpa h ALA 84 CO -0.03 -0.22 0.04 0.52 0.00 0.00 0.00 179.25 179.55 1rpa h MET 85 N -0.76 0.12 -0.50 0.00 2.86 -1.34 -0.62 114.93 114.70 1rpa h MET 85 Ca -0.01 -0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 57.52 1rpa h MET 85 Cb 0.60 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 1rpa h MET 85 CO 0.02 0.08 -0.09 1.15 1.06 0.00 0.00 176.91 179.12 1rpa h THR 86 N 0.12 1.26 -0.92 2.22 2.02 -1.50 -1.39 112.91 114.73 1rpa h THR 86 Ca 0.42 -1.21 0.07 0.00 0.77 0.00 0.00 66.41 66.46 1rpa h THR 86 Cb 0.74 0.97 -0.07 0.00 -1.74 0.00 0.00 68.15 68.05 1rpa h THR 86 CO -0.64 0.42 0.57 -1.13 0.37 0.00 0.00 175.52 175.11 1rpa h ASN 87 N 0.82 0.89 0.39 4.18 -0.73 -0.91 0.09 115.58 120.31 1rpa h ASN 87 Ca 0.14 0.02 -0.16 0.00 1.87 0.00 0.00 56.30 58.17 1rpa h ASN 87 Cb 0.62 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 39.03 1rpa h ASN 87 CO 0.04 0.55 -0.66 -0.07 -0.37 0.00 0.00 177.43 176.92 1rpa h LEU 88 N 1.02 0.29 0.00 0.34 3.38 -0.54 0.31 115.31 120.10 1rpa h LEU 88 Ca 0.41 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1rpa h LEU 88 Cb 0.23 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1rpa h LEU 88 CO -0.19 0.87 0.00 0.00 0.09 0.00 0.00 178.44 179.21 1rpa n ALA 89 N -2.47 1.37 0.00 1.53 0.00 -0.01 -1.18 120.51 119.75 1rpa n ALA 89 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1rpa n ALA 89 Cb 0.66 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1rpa n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rpa n ALA 90 N -1.31 1.95 -0.06 0.00 0.00 -0.92 -4.62 120.51 115.55 1rpa n ALA 90 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.35 1rpa n ALA 90 Cb 0.04 0.23 -0.04 0.00 0.00 0.00 0.00 19.45 19.67 1rpa n ALA 90 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1rpa h LEU 91 N 0.00 0.31 -6.42 0.00 6.46 -0.60 -3.39 115.31 111.65 1rpa h LEU 91 Ca 0.00 -0.18 -0.60 0.00 -0.12 0.00 0.00 57.88 56.99 1rpa h LEU 91 Cb 0.91 -0.08 -0.41 0.00 -0.73 0.00 0.00 40.66 40.35 1rpa h LEU 91 CO 0.00 0.40 -0.73 0.49 -0.62 0.00 0.00 178.44 177.98 1rpa n PHE 92 N -4.80 2.26 -1.04 1.25 3.72 -0.33 -4.78 117.46 113.74 1rpa n PHE 92 Ca -0.04 -3.99 -0.30 0.00 -0.05 0.00 0.00 57.45 53.07 1rpa n PHE 92 Cb 0.13 -0.44 0.15 0.00 -0.94 0.00 0.00 39.48 38.38 1rpa n PHE 92 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1rpa s PRO 93 N -1.66 1.12 -0.03 -1.08 0.02 -1.26 -4.62 135.00 127.49 1rpa s PRO 93 Ca 0.34 1.02 -0.20 0.00 0.02 0.00 0.00 61.00 62.18 1rpa s PRO 93 Cb 0.09 -1.78 -0.05 0.00 0.02 0.00 0.00 34.50 32.78 1rpa s PRO 93 CO -0.10 -2.39 0.57 -1.25 -0.33 0.00 0.00 177.00 173.50 1rpa s PRO 94 N -4.82 4.30 -0.06 5.54 0.04 -1.26 -4.94 135.00 133.81 1rpa s PRO 94 Ca 0.64 0.67 0.03 0.00 0.04 0.00 0.00 61.00 62.38 1rpa s PRO 94 Cb -0.20 -3.36 0.01 0.00 0.04 0.00 0.00 34.50 30.99 1rpa s PRO 94 CO 0.58 0.32 -0.14 -1.21 0.04 0.00 0.00 177.00 176.59 1rpa s GLU 95 N -0.01 1.74 0.62 4.56 2.02 -1.26 -4.66 118.70 121.72 1rpa s GLU 95 Ca 0.30 -0.50 0.00 0.00 0.02 0.00 0.00 54.97 54.79 1rpa s GLU 95 Cb -0.17 -1.46 0.00 0.00 0.10 0.00 0.00 34.13 32.60 1rpa s GLU 95 CO 0.16 0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.97 1rpa n GLY 96 N 3.50 0.45 0.29 -1.39 0.00 -1.26 -2.40 105.19 104.38 1rpa n GLY 96 Ca -0.20 0.34 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1rpa n GLY 96 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1rpa h ASN 97 N 0.00 0.00 -0.03 1.61 -0.00 -2.04 -1.71 115.58 113.42 1rpa h ASN 97 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 1rpa h ASN 97 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.32 1rpa h ASN 97 CO 0.00 0.00 -0.00 -1.20 -0.00 0.00 0.00 177.43 176.23 1rpa n SER 98 N -4.12 2.87 -4.63 1.15 7.64 -1.01 -4.83 113.62 110.69 1rpa n SER 98 Ca -0.03 -1.93 -0.43 0.00 1.01 0.00 0.00 58.87 57.49 1rpa n SER 98 Cb 0.10 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.27 1rpa n SER 98 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1rpa s ILE 99 N -1.88 3.80 -0.14 0.44 1.01 -0.64 -4.78 121.20 119.00 1rpa s ILE 99 Ca 0.26 0.90 0.17 0.00 0.00 0.00 0.00 60.65 61.98 1rpa s ILE 99 Cb 0.19 -3.83 -0.07 0.00 0.01 0.00 0.00 42.46 38.75 1rpa s ILE 99 CO 0.28 -0.36 1.01 4.11 0.00 0.00 0.00 174.94 179.98 1rpa h TRP 100 N 10.46 0.00 -3.26 3.97 5.08 -1.88 -3.45 115.95 126.87 1rpa h TRP 100 Ca -0.32 0.00 -0.51 0.00 1.08 0.00 0.00 58.89 59.14 1rpa h TRP 100 Cb 1.14 0.00 -0.38 0.00 -3.00 0.00 0.00 29.16 26.92 1rpa h TRP 100 CO 0.91 0.50 -0.79 1.21 -1.28 0.00 0.00 178.44 178.99 1rpa s ASN 101 N -5.91 2.34 0.43 0.11 3.84 -1.26 -5.01 114.94 109.48 1rpa s ASN 101 Ca -0.01 -0.43 0.26 0.00 0.21 0.00 0.00 52.86 52.90 1rpa s ASN 101 Cb 0.08 -0.74 0.71 0.00 -0.55 0.00 0.00 41.25 40.75 1rpa s ASN 101 CO 0.79 -0.18 1.74 1.55 -2.79 0.00 0.00 177.10 178.21 1rpa h PRO 102 N 8.20 0.00 -0.71 0.43 0.13 -2.00 -2.32 132.00 135.73 1rpa h PRO 102 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1rpa h PRO 102 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1rpa h PRO 102 CO 0.36 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.67 1rpa n ARG 103 N -2.96 3.16 -3.68 0.86 5.12 -1.26 -4.84 116.66 113.06 1rpa n ARG 103 Ca 0.03 -1.84 -0.11 0.00 -1.93 0.00 0.00 57.85 54.01 1rpa n ARG 103 Cb 0.44 -1.88 -0.11 0.00 -1.16 0.00 0.00 32.46 29.75 1rpa n ARG 103 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1rpa s LEU 104 N -1.55 -0.22 -0.94 0.55 2.96 -0.87 -5.07 118.68 113.53 1rpa s LEU 104 Ca 0.32 0.78 -0.02 0.00 -0.22 0.00 0.00 54.13 54.99 1rpa s LEU 104 Cb 0.24 1.07 0.26 0.00 0.50 0.00 0.00 46.19 48.26 1rpa s LEU 104 CO 0.11 -0.21 1.05 0.18 -1.32 0.00 0.00 176.35 176.15 1rpa n LEU 105 N 4.87 5.01 -3.63 -0.68 4.77 -1.26 -4.53 117.00 121.55 1rpa n LEU 105 Ca -0.15 -5.20 -0.12 0.00 -0.03 0.00 0.00 56.01 50.50 1rpa n LEU 105 Cb 0.52 -1.13 -0.07 0.00 -2.33 0.00 0.00 43.42 40.41 1rpa n LEU 105 CO 0.05 1.66 0.43 0.86 -1.33 0.00 0.00 177.39 179.07 1rpa s TRP 106 N -2.02 -0.81 -0.01 -1.77 -0.00 -1.26 -4.48 118.94 108.59 1rpa s TRP 106 Ca 0.31 1.90 0.04 0.00 -0.00 0.00 0.00 56.10 58.35 1rpa s TRP 106 Cb 0.00 0.34 -0.01 0.00 -0.00 0.00 0.00 33.47 33.80 1rpa s TRP 106 CO -0.03 -0.39 -0.12 1.14 -0.00 0.00 0.00 176.95 177.55 1rpa s GLN 107 N 0.59 0.93 0.15 5.86 -2.07 -1.26 -4.88 119.66 118.97 1rpa s GLN 107 Ca -0.02 -0.43 -0.31 0.00 -1.82 0.00 0.00 55.36 52.78 1rpa s GLN 107 Cb -0.05 -0.90 -0.10 0.00 -1.09 0.00 0.00 33.01 30.87 1rpa s GLN 107 CO -0.03 0.24 1.63 -2.14 -1.32 0.00 0.00 175.29 173.67 1rpa s PRO 108 N -0.32 4.19 -0.06 9.60 0.02 -1.26 -4.95 135.00 142.23 1rpa s PRO 108 Ca 0.04 2.41 0.01 0.00 0.02 0.00 0.00 61.00 63.49 1rpa s PRO 108 Cb -0.05 -3.25 0.02 0.00 0.02 0.00 0.00 34.50 31.24 1rpa s PRO 108 CO -0.00 -0.67 -0.07 0.42 -0.33 0.00 0.00 177.00 176.35 1rpa s ILE 109 N 1.53 0.76 -0.08 2.83 1.01 -1.26 -5.13 121.20 120.86 1rpa s ILE 109 Ca 0.72 -0.25 -0.22 0.00 0.00 0.00 0.00 60.65 60.91 1rpa s ILE 109 Cb -0.44 -0.75 -0.04 0.00 0.01 0.00 0.00 42.46 41.24 1rpa s ILE 109 CO 0.32 0.28 0.64 -2.16 0.00 0.00 0.00 174.94 174.02 1rpa s PRO 110 N 0.91 4.41 -0.31 2.79 0.04 -1.26 -5.00 135.00 136.57 1rpa s PRO 110 Ca -0.11 0.77 -0.13 0.00 0.04 0.00 0.00 61.00 61.57 1rpa s PRO 110 Cb -0.15 -3.44 -0.03 0.00 0.04 0.00 0.00 34.50 30.92 1rpa s PRO 110 CO 0.01 0.10 0.25 0.08 0.04 0.00 0.00 177.00 177.48 1rpa s VAL 111 N 0.71 5.27 0.13 -0.36 1.01 -1.26 -4.59 120.40 121.31 1rpa s VAL 111 Ca 0.34 0.00 -0.16 0.00 0.00 0.00 0.00 61.98 62.16 1rpa s VAL 111 Cb -0.17 -3.66 -0.07 0.00 0.00 0.00 0.00 36.38 32.48 1rpa s VAL 111 CO 0.16 0.08 0.57 -1.00 0.00 0.00 0.00 175.10 174.92 1rpa s HIS 112 N 1.80 3.68 0.00 5.22 3.76 -0.93 -4.89 115.29 123.93 1rpa s HIS 112 Ca 0.08 1.16 0.00 0.00 -0.15 0.00 0.00 55.06 56.15 1rpa s HIS 112 Cb -0.17 -2.44 0.00 0.00 1.11 0.00 0.00 32.58 31.09 1rpa s HIS 112 CO 0.11 0.47 0.00 0.25 -0.85 0.00 0.00 174.74 174.72 1rpa n THR 113 N 1.11 0.00 -3.72 1.30 -2.24 -1.26 -0.61 114.28 108.86 1rpa n THR 113 Ca -0.07 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.57 1rpa n THR 113 Cb 0.51 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.66 1rpa n THR 113 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1rpa s VAL 114 N -1.24 0.05 0.21 2.28 1.01 -1.26 -4.94 120.40 116.52 1rpa s VAL 114 Ca 0.00 -0.42 -0.32 0.00 0.00 0.00 0.00 61.98 61.24 1rpa s VAL 114 Cb 0.00 -0.73 -0.14 0.00 0.00 0.00 0.00 36.38 35.51 1rpa s VAL 114 CO 0.00 -0.23 1.26 -1.20 0.00 0.00 0.00 175.10 174.93 1rpa n SER 115 N 1.10 1.98 -0.15 3.32 7.64 -1.26 -4.31 113.62 121.94 1rpa n SER 115 Ca -0.21 1.15 0.28 0.00 1.01 0.00 0.00 58.87 61.10 1rpa n SER 115 Cb 0.57 -1.32 0.69 0.00 -1.01 0.00 0.00 64.21 63.13 1rpa n SER 115 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1rpa h LEU 116 N 3.63 0.00 -0.63 -3.43 3.38 -1.97 0.46 115.31 116.75 1rpa h LEU 116 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1rpa h LEU 116 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1rpa h LEU 116 CO 0.72 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.71 1rpa n SER 117 N -3.79 0.97 0.00 -0.43 3.41 -1.26 -3.20 113.62 109.32 1rpa n SER 117 Ca 0.18 -1.36 0.00 0.00 -0.26 0.00 0.00 58.87 57.43 1rpa n SER 117 Cb 1.09 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 65.02 1rpa n SER 117 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1rpa n GLU 118 N -0.23 1.17 -2.60 4.33 -0.58 0.16 -4.99 120.64 117.90 1rpa n GLU 118 Ca 0.20 -1.03 -0.43 0.00 -0.42 0.00 0.00 57.16 55.48 1rpa n GLU 118 Cb 0.26 -0.98 -0.02 0.00 -0.57 0.00 0.00 31.44 30.12 1rpa n GLU 118 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1rpa s ASP 119 N -0.53 7.11 -0.03 1.62 -1.08 -1.16 -4.80 116.67 117.81 1rpa s ASP 119 Ca 0.00 1.53 0.08 0.00 -0.52 0.00 0.00 52.55 53.63 1rpa s ASP 119 Cb 0.00 -2.55 0.13 0.00 -1.46 0.00 0.00 42.92 39.04 1rpa s ASP 119 CO 0.00 -0.61 1.06 0.54 0.52 0.00 0.00 175.17 176.67 1rpa n ARG 120 N 5.87 0.23 0.00 4.34 5.12 -1.26 -4.60 116.66 126.36 1rpa n ARG 120 Ca 0.11 -1.47 0.00 0.00 -1.93 0.00 0.00 57.85 54.56 1rpa n ARG 120 Cb 0.47 -0.59 0.00 0.00 -1.16 0.00 0.00 32.46 31.18 1rpa n ARG 120 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1rpa n LEU 121 N -0.15 0.00 0.26 0.55 7.94 -1.26 -4.81 117.00 119.53 1rpa n LEU 121 Ca 0.04 0.00 0.16 0.00 -1.11 0.00 0.00 56.01 55.10 1rpa n LEU 121 Cb 0.77 0.00 0.53 0.00 0.53 0.00 0.00 43.42 45.25 1rpa n LEU 121 CO -0.01 0.00 0.94 -0.07 -1.11 0.00 0.00 177.39 177.14 1rpa h LEU 122 N 0.00 0.00 -5.21 -1.96 3.38 -1.92 -3.39 115.31 106.20 1rpa h LEU 122 Ca 0.00 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.33 1rpa h LEU 122 Cb 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.61 1rpa h LEU 122 CO 0.00 0.00 1.66 0.00 0.09 0.00 0.00 178.44 180.19 1rpa n TYR 123 N -3.08 2.19 -1.92 1.13 9.36 -1.26 -4.70 117.16 118.87 1rpa n TYR 123 Ca 0.02 -2.49 -0.35 0.00 3.32 0.00 0.00 57.90 58.40 1rpa n TYR 123 Cb 0.37 -1.68 0.04 0.00 -0.63 0.00 0.00 39.34 37.44 1rpa n TYR 123 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 1rpa s LEU 124 N -2.08 3.57 0.43 2.98 1.43 -1.26 -4.50 118.68 119.25 1rpa s LEU 124 Ca 0.56 2.26 -0.15 0.00 -1.03 0.00 0.00 54.13 55.78 1rpa s LEU 124 Cb 0.26 -4.58 -0.08 0.00 0.03 0.00 0.00 46.19 41.81 1rpa s LEU 124 CO -0.14 -1.63 0.86 -2.16 0.23 0.00 0.00 176.35 173.51 1rpa s PRO 125 N -3.56 3.94 -0.94 1.29 0.05 -1.26 -4.61 135.00 129.91 1rpa s PRO 125 Ca 0.74 0.76 -0.24 0.00 0.05 0.00 0.00 61.00 62.30 1rpa s PRO 125 Cb -0.27 -2.29 -0.02 0.00 0.05 0.00 0.00 34.50 31.98 1rpa s PRO 125 CO 0.35 -0.07 1.80 -0.06 0.05 0.00 0.00 177.00 179.06 1rpa s PHE 126 N -2.35 2.03 0.04 0.56 0.08 -1.26 -4.87 117.98 112.21 1rpa s PHE 126 Ca 0.56 0.18 -0.09 0.00 0.12 0.00 0.00 56.93 57.70 1rpa s PHE 126 Cb -0.10 -4.24 -0.02 0.00 -0.57 0.00 0.00 43.02 38.09 1rpa s PHE 126 CO 0.26 -1.80 1.05 0.54 -0.10 0.00 0.00 175.22 175.18 1rpa n ARG 127 N 8.86 -0.12 0.00 0.44 1.74 -1.26 -3.29 116.66 123.03 1rpa n ARG 127 Ca 0.38 1.05 0.00 0.00 -0.77 0.00 0.00 57.85 58.51 1rpa n ARG 127 Cb 0.48 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 1rpa n ARG 127 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1rpa n ASP 128 N -3.58 0.07 -3.91 0.55 5.75 -1.26 -4.76 116.55 109.40 1rpa n ASP 128 Ca 0.01 -0.07 -0.30 0.00 -0.01 0.00 0.00 54.79 54.42 1rpa n ASP 128 Cb 0.07 -0.02 -0.16 0.00 -1.03 0.00 0.00 41.12 39.99 1rpa n ASP 128 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1rpa h PRO 130 N 7.98 0.38 -0.68 0.00 0.11 -1.81 -0.18 132.00 137.80 1rpa h PRO 130 Ca -0.17 -0.13 0.12 0.00 0.11 0.00 0.00 66.00 65.93 1rpa h PRO 130 Cb 1.07 -0.03 -0.08 0.00 0.11 0.00 0.00 31.00 32.07 1rpa h PRO 130 CO 0.41 0.59 0.25 -0.09 -0.21 0.00 0.00 178.00 178.95 1rpa h ARG 131 N 0.13 0.40 0.07 1.05 9.65 -0.19 0.37 114.38 125.86 1rpa h ARG 131 Ca 0.06 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.91 1rpa h ARG 131 Cb 0.43 -0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 28.91 1rpa h ARG 131 CO 0.01 0.26 -0.05 0.35 2.80 0.00 0.00 179.97 183.35 1rpa h PHE 132 N 0.41 -0.12 0.00 2.20 3.57 -1.31 -1.74 116.94 119.94 1rpa h PHE 132 Ca 0.36 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.86 1rpa h PHE 132 Cb 0.49 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.28 1rpa h PHE 132 CO -0.18 -0.08 0.00 1.96 -2.23 0.00 0.00 178.31 177.78 1rpa h GLN 133 N -0.12 0.00 0.14 1.11 1.08 0.48 0.76 115.11 118.55 1rpa h GLN 133 Ca -0.00 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 56.90 1rpa h GLN 133 Cb 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 1rpa h GLN 133 CO -0.00 0.00 -1.39 1.05 -0.95 0.00 0.00 178.83 177.54 1rpa h GLU 134 N 0.00 0.30 -0.57 1.46 4.11 -0.40 -2.32 114.58 117.15 1rpa h GLU 134 Ca 0.00 -0.50 0.02 0.00 0.07 0.00 0.00 59.36 58.94 1rpa h GLU 134 Cb 0.27 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1rpa h GLU 134 CO 0.00 1.21 0.38 -0.07 0.07 0.00 0.00 179.01 180.59 1rpa h LEU 135 N 0.08 0.62 -0.33 3.06 3.38 0.12 0.41 115.31 122.66 1rpa h LEU 135 Ca -0.19 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1rpa h LEU 135 Cb 2.01 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.60 1rpa h LEU 135 CO 0.20 0.44 0.21 0.50 0.09 0.00 0.00 178.44 179.88 1rpa h LYS 136 N 0.73 0.44 -0.29 1.13 3.64 -0.87 -0.71 116.57 120.63 1rpa h LYS 136 Ca 0.22 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1rpa h LYS 136 Cb -0.02 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 1rpa h LYS 136 CO -0.05 0.31 0.11 0.77 -2.27 0.00 0.00 179.45 178.32 1rpa h SER 137 N 0.43 0.40 -0.64 4.20 0.02 0.19 -2.55 113.55 115.61 1rpa h SER 137 Ca 0.12 -0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 60.86 1rpa h SER 137 Cb -0.03 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.38 1rpa h SER 137 CO -0.02 0.47 0.24 -0.33 -1.14 0.00 0.00 176.83 176.05 1rpa h GLU 138 N 0.32 0.96 -0.97 3.45 5.08 0.03 -2.43 114.58 121.02 1rpa h GLU 138 Ca 0.10 -0.18 0.12 0.00 -1.00 0.00 0.00 59.36 58.40 1rpa h GLU 138 Cb 0.19 -0.15 -0.09 0.00 0.50 0.00 0.00 28.75 29.21 1rpa h GLU 138 CO -0.01 0.82 0.59 1.15 -1.00 0.00 0.00 179.01 180.56 1rpa h THR 139 N 0.90 0.88 -0.87 1.13 2.02 -0.92 0.11 112.91 116.16 1rpa h THR 139 Ca 0.21 -0.31 0.18 0.00 0.77 0.00 0.00 66.41 67.25 1rpa h THR 139 Cb 0.22 -0.11 -0.11 0.00 -1.74 0.00 0.00 68.15 66.41 1rpa h THR 139 CO -0.02 0.17 0.43 -0.07 0.37 0.00 0.00 175.52 176.40 1rpa h LEU 140 N 0.92 0.46 -1.01 2.58 3.38 -1.02 -2.48 115.31 118.13 1rpa h LEU 140 Ca 0.49 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.57 1rpa h LEU 140 Cb 0.52 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1rpa h LEU 140 CO -0.28 0.14 -0.20 0.29 0.09 0.00 0.00 178.44 178.48 1rpa n LYS 141 N -4.93 1.42 -3.29 1.13 5.02 -0.00 -4.65 118.16 112.86 1rpa n LYS 141 Ca 0.19 -1.01 -0.20 0.00 -2.02 0.00 0.00 58.31 55.28 1rpa n LYS 141 Cb 0.52 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 1rpa n LYS 141 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1rpa s SER 142 N -2.27 5.25 0.00 4.39 1.04 -0.94 -4.85 113.70 116.33 1rpa s SER 142 Ca 0.27 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 56.02 1rpa s SER 142 Cb 0.20 -0.36 0.00 0.00 0.10 0.00 0.00 66.02 65.95 1rpa s SER 142 CO 0.44 -0.85 0.18 1.21 0.98 0.00 0.00 173.24 175.20 1rpa n GLU 143 N -1.80 0.00 -0.10 4.02 2.13 -1.26 -0.39 120.64 123.23 1rpa n GLU 143 Ca 0.07 0.18 0.14 0.00 0.66 0.00 0.00 57.16 58.21 1rpa n GLU 143 Cb 0.61 -0.44 0.52 0.00 0.27 0.00 0.00 31.44 32.40 1rpa n GLU 143 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1rpa h GLU 144 N 0.00 0.36 0.02 5.31 4.39 -1.96 0.16 114.58 122.86 1rpa h GLU 144 Ca 0.00 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 1rpa h GLU 144 Cb 0.00 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1rpa h GLU 144 CO 0.00 0.24 -0.01 0.35 -1.16 0.00 0.00 179.01 178.43 1rpa h PHE 145 N 0.37 -0.03 -0.83 4.33 3.57 -1.56 0.44 116.94 123.23 1rpa h PHE 145 Ca 0.31 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.85 1rpa h PHE 145 Cb 0.70 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.40 1rpa h PHE 145 CO -0.00 0.68 0.55 -0.07 -2.23 0.00 0.00 178.31 177.24 1rpa h LEU 146 N -0.93 0.88 -0.19 0.59 -0.00 0.18 0.22 115.31 116.06 1rpa h LEU 146 Ca -0.00 -0.01 0.05 0.00 -0.00 0.00 0.00 57.88 57.92 1rpa h LEU 146 Cb 0.72 -0.20 -0.07 0.00 -0.00 0.00 0.00 40.66 41.11 1rpa h LEU 146 CO 0.01 0.60 -0.33 0.50 -0.00 0.00 0.00 178.44 179.22 1rpa h LYS 147 N 1.02 -0.36 -0.31 1.13 3.11 -0.87 0.80 116.57 121.09 1rpa h LYS 147 Ca 0.34 0.02 -0.07 0.00 -2.81 0.00 0.00 60.65 58.13 1rpa h LYS 147 Cb 0.06 0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.35 1rpa h LYS 147 CO -0.10 -0.24 -0.10 -0.09 -2.81 0.00 0.00 179.45 176.10 1rpa h ARG 148 N -0.37 0.53 -0.16 1.90 2.43 0.14 -2.87 114.38 115.98 1rpa h ARG 148 Ca 0.11 -0.15 -0.21 0.00 -0.81 0.00 0.00 59.98 58.93 1rpa h ARG 148 Cb 0.55 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1rpa h ARG 148 CO -0.39 0.63 -0.72 1.25 -1.51 0.00 0.00 179.97 179.23 1rpa h LEU 149 N 0.49 0.83 -0.71 3.80 5.85 0.11 -3.38 115.31 122.30 1rpa h LEU 149 Ca 0.09 -0.52 0.09 0.00 0.84 0.00 0.00 57.88 58.38 1rpa h LEU 149 Cb 0.48 -0.24 -0.11 0.00 0.37 0.00 0.00 40.66 41.15 1rpa h LEU 149 CO 0.03 1.30 -0.50 -0.61 -0.34 0.00 0.00 178.44 178.32 1rpa h GLN 150 N 0.50 -0.17 -0.63 1.25 4.15 0.77 0.62 115.11 121.59 1rpa h GLN 150 Ca -0.03 0.01 0.26 0.00 0.77 0.00 0.00 58.65 59.65 1rpa h GLN 150 Cb 1.33 0.04 -0.11 0.00 0.21 0.00 0.00 27.48 28.94 1rpa h GLN 150 CO 0.14 -0.11 0.31 -2.30 -1.93 0.00 0.00 178.83 174.94 1rpa n PRO 151 N -5.37 -0.04 0.13 -2.39 -0.02 -1.26 -1.36 135.00 124.69 1rpa n PRO 151 Ca 0.02 0.88 0.05 0.00 -2.02 0.00 0.00 63.50 62.43 1rpa n PRO 151 Cb 0.33 -1.56 0.03 0.00 -0.02 0.00 0.00 33.50 32.28 1rpa n PRO 151 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 1rpa h TYR 152 N 0.00 0.00 -0.75 6.00 0.05 0.00 -3.41 116.97 118.85 1rpa h TYR 152 Ca 0.52 0.00 0.31 0.00 0.05 0.00 0.00 58.73 59.61 1rpa h TYR 152 Cb 1.36 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 38.96 1rpa h TYR 152 CO -0.04 0.34 0.39 1.17 -1.05 0.00 0.00 178.16 178.97 1rpa n LYS 153 N -3.07 -0.05 -0.05 4.88 3.00 -0.47 -0.03 118.16 122.38 1rpa n LYS 153 Ca 0.00 1.04 -0.13 0.00 -0.00 0.00 0.00 58.31 59.23 1rpa n LYS 153 Cb 0.69 -1.86 -0.07 0.00 0.00 0.00 0.00 35.03 33.78 1rpa n LYS 153 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1rpa h SER 154 N 0.00 0.30 -0.63 3.14 4.64 -1.83 -2.34 113.55 116.83 1rpa h SER 154 Ca 0.63 -0.47 0.04 0.00 -0.47 0.00 0.00 61.79 61.52 1rpa h SER 154 Cb 1.66 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 63.62 1rpa h SER 154 CO -0.59 0.71 0.38 0.15 -0.87 0.00 0.00 176.83 176.61 1rpa h PHE 155 N -0.10 0.70 0.39 4.77 3.57 -0.77 -1.40 116.94 124.10 1rpa h PHE 155 Ca 0.02 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 1rpa h PHE 155 Cb 0.62 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 1rpa h PHE 155 CO 0.08 0.38 -0.41 0.82 -2.23 0.00 0.00 178.31 176.95 1rpa h ILE 156 N 0.72 0.17 -0.03 1.41 2.04 -1.39 0.88 117.51 121.32 1rpa h ILE 156 Ca 0.27 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.13 1rpa h ILE 156 Cb 0.08 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.33 1rpa h ILE 156 CO -0.13 0.00 0.05 0.44 0.00 0.00 0.00 178.15 178.51 1rpa h ASP 157 N -0.82 0.00 0.82 1.72 3.32 -0.76 0.44 116.42 121.14 1rpa h ASP 157 Ca -0.03 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.93 1rpa h ASP 157 Cb 0.74 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 1rpa h ASP 157 CO -0.08 0.00 -0.41 0.71 -1.72 0.00 0.00 179.24 177.74 1rpa h THR 158 N 0.00 0.96 0.25 0.35 1.35 0.15 -3.36 112.91 112.62 1rpa h THR 158 Ca 0.01 -1.61 -0.01 0.00 -0.55 0.00 0.00 66.41 64.26 1rpa h THR 158 Cb 0.11 1.96 -0.01 0.00 -1.73 0.00 0.00 68.15 68.49 1rpa h THR 158 CO -0.00 0.40 -0.18 -0.07 -0.25 0.00 0.00 175.52 175.42 1rpa h LEU 159 N 0.00 -0.45 0.00 3.87 3.38 0.10 -2.81 115.31 119.40 1rpa h LEU 159 Ca -0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1rpa h LEU 159 Cb 0.93 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1rpa h LEU 159 CO 0.05 -0.28 0.00 -2.65 0.09 0.00 0.00 178.44 175.66 1rpa n PRO 160 N -5.30 0.05 0.02 1.13 -0.02 -1.25 0.29 135.00 129.92 1rpa n PRO 160 Ca -0.09 0.27 0.11 0.00 -2.02 0.00 0.00 63.50 61.77 1rpa n PRO 160 Cb 0.21 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.11 1rpa n PRO 160 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1rpa n SER 161 N -1.31 0.43 -0.08 2.55 3.41 -1.06 -2.73 113.62 114.83 1rpa n SER 161 Ca 0.02 -0.16 -0.11 0.00 -0.26 0.00 0.00 58.87 58.36 1rpa n SER 161 Cb 0.03 1.32 -0.06 0.00 -0.26 0.00 0.00 64.21 65.24 1rpa n SER 161 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1rpa h LEU 162 N 0.00 0.00 0.87 1.04 3.38 -0.21 -3.41 115.31 116.99 1rpa h LEU 162 Ca 0.00 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 1rpa h LEU 162 Cb 0.85 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.61 1rpa h LEU 162 CO 0.00 0.99 -0.42 0.77 0.09 0.00 0.00 178.44 179.87 1rpa h SER 163 N -1.00 -0.99 0.00 -0.43 4.64 -1.24 -3.43 113.55 111.10 1rpa h SER 163 Ca -0.12 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1rpa h SER 163 Cb 0.75 0.26 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1rpa h SER 163 CO -0.07 -0.69 0.00 0.61 -0.87 0.00 0.00 176.83 175.81 1rpa n GLY 164 N -1.50 1.18 2.86 -0.77 0.00 -1.10 -2.45 105.19 103.40 1rpa n GLY 164 Ca -0.14 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.72 1rpa n GLY 164 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1rpa s PHE 165 N -2.00 -0.14 0.34 1.61 -0.71 -1.25 -4.51 117.98 111.32 1rpa s PHE 165 Ca 0.00 0.49 0.19 0.00 -1.04 0.00 0.00 56.93 56.57 1rpa s PHE 165 Cb 0.00 -0.19 0.98 0.00 -1.21 0.00 0.00 43.02 42.60 1rpa s PHE 165 CO 0.00 -0.20 1.90 0.93 -1.34 0.00 0.00 175.22 176.51 1rpa h GLU 166 N 7.77 0.00 -7.11 1.99 5.08 -1.98 -3.41 114.58 116.93 1rpa h GLU 166 Ca -0.30 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.60 1rpa h GLU 166 Cb 1.13 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.39 1rpa h GLU 166 CO 0.30 0.27 0.37 0.34 -1.00 0.00 0.00 179.01 179.28 1rpa s ASP 167 N -6.56 6.56 -0.05 1.42 2.15 -1.26 -4.82 116.67 114.10 1rpa s ASP 167 Ca -0.02 1.75 0.13 0.00 0.43 0.00 0.00 52.55 54.84 1rpa s ASP 167 Cb 0.13 -2.54 0.24 0.00 -0.30 0.00 0.00 42.92 40.45 1rpa s ASP 167 CO 0.67 -0.63 1.11 0.00 -0.17 0.00 0.00 175.17 176.15 1rpa n GLN 168 N -1.09 0.45 -1.68 4.34 10.64 -1.26 -4.84 117.38 123.94 1rpa n GLN 168 Ca 0.08 -1.90 -0.42 0.00 -1.83 0.00 0.00 57.00 52.93 1rpa n GLN 168 Cb 0.53 -0.69 0.00 0.00 -0.86 0.00 0.00 30.24 29.23 1rpa n GLN 168 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1rpa n ASP 169 N -0.27 2.36 -0.09 2.61 -0.08 -1.26 -4.83 116.55 115.00 1rpa n ASP 169 Ca 0.07 1.15 0.00 0.00 -1.51 0.00 0.00 54.79 54.51 1rpa n ASP 169 Cb 0.82 -1.45 0.28 0.00 2.34 0.00 0.00 41.12 43.11 1rpa n ASP 169 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1rpa h LEU 170 N 2.22 0.66 -1.41 -2.67 4.07 -1.96 0.17 115.31 116.39 1rpa h LEU 170 Ca -0.46 -0.07 -0.06 0.00 0.08 0.00 0.00 57.88 57.37 1rpa h LEU 170 Cb 1.30 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.86 1rpa h LEU 170 CO 0.61 0.59 -0.28 0.15 -1.08 0.00 0.00 178.44 178.43 1rpa h PHE 171 N 0.73 0.00 0.00 1.13 3.57 -1.91 0.39 116.94 120.85 1rpa h PHE 171 Ca 0.18 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.57 1rpa h PHE 171 Cb 0.13 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 1rpa h PHE 171 CO 0.01 0.28 -0.64 0.93 -2.23 0.00 0.00 178.31 176.65 1rpa h GLU 172 N 0.00 0.00 -0.10 1.11 4.39 -1.34 -1.87 114.58 116.77 1rpa h GLU 172 Ca -0.00 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 1rpa h GLU 172 Cb 0.59 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 1rpa h GLU 172 CO 0.04 0.44 -0.43 0.82 -1.16 0.00 0.00 179.01 178.71 1rpa h ILE 173 N 0.00 1.32 0.62 3.13 1.08 0.36 0.21 117.51 124.22 1rpa h ILE 173 Ca -0.03 -1.57 -0.03 0.00 -0.39 0.00 0.00 64.86 62.84 1rpa h ILE 173 Cb 1.40 1.73 0.01 0.00 -3.07 0.00 0.00 36.82 36.88 1rpa h ILE 173 CO 0.06 0.47 -0.30 -0.25 -0.69 0.00 0.00 178.15 177.44 1rpa h TRP 174 N 0.19 -0.77 -0.34 1.37 7.01 -0.48 0.10 115.95 123.03 1rpa h TRP 174 Ca 0.01 -0.02 -0.10 0.00 2.11 0.00 0.00 58.89 60.90 1rpa h TRP 174 Cb 0.85 0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 28.15 1rpa h TRP 174 CO 0.01 -0.45 -0.16 0.77 -2.79 0.00 0.00 178.44 175.83 1rpa h SER 175 N -1.16 0.73 0.02 2.65 0.02 -1.04 0.09 113.55 114.85 1rpa h SER 175 Ca -0.08 -0.40 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1rpa h SER 175 Cb 0.66 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1rpa h SER 175 CO 0.14 0.97 -0.64 0.54 -1.14 0.00 0.00 176.83 176.70 1rpa n ARG 176 N -4.34 0.77 0.01 3.45 5.12 0.71 -4.44 116.66 117.94 1rpa n ARG 176 Ca -0.02 -0.62 0.00 0.00 -1.93 0.00 0.00 57.85 55.27 1rpa n ARG 176 Cb 0.39 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.21 1rpa n ARG 176 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1rpa n LEU 177 N -0.57 0.03 -0.07 0.55 7.94 -0.80 -3.12 117.00 120.96 1rpa n LEU 177 Ca 0.08 0.04 -0.14 0.00 -1.11 0.00 0.00 56.01 54.88 1rpa n LEU 177 Cb 0.41 0.02 -0.06 0.00 0.53 0.00 0.00 43.42 44.32 1rpa n LEU 177 CO 0.33 -0.37 0.52 0.22 -1.11 0.00 0.00 177.39 176.98 1rpa h TYR 178 N 0.00 0.72 0.32 1.96 3.20 -0.32 -2.97 116.97 119.87 1rpa h TYR 178 Ca 0.00 -0.24 -0.01 0.00 3.14 0.00 0.00 58.73 61.62 1rpa h TYR 178 Cb 0.32 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 1rpa h TYR 178 CO 0.00 0.97 -0.39 0.22 -1.64 0.00 0.00 178.16 177.32 1rpa h ASP 179 N 0.26 -1.09 -0.38 -2.11 3.58 -1.21 0.34 116.42 115.80 1rpa h ASP 179 Ca 0.02 0.09 0.08 0.00 0.42 0.00 0.00 57.03 57.64 1rpa h ASP 179 Cb 0.89 0.37 -0.02 0.00 1.72 0.00 0.00 39.33 42.29 1rpa h ASP 179 CO 0.07 -0.49 0.27 1.55 -2.88 0.00 0.00 179.24 177.76 1rpa h PRO 180 N -0.72 0.18 -0.29 0.28 0.13 -1.78 -0.75 132.00 129.05 1rpa h PRO 180 Ca -0.04 -0.01 -0.19 0.00 -0.87 0.00 0.00 66.00 64.90 1rpa h PRO 180 Cb 0.64 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.74 1rpa h PRO 180 CO -0.09 0.12 -0.54 -0.07 -0.23 0.00 0.00 178.00 177.19 1rpa h LEU 181 N 0.18 0.98 0.12 1.56 3.38 -1.19 -0.15 115.31 120.19 1rpa h LEU 181 Ca 0.18 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 1rpa h LEU 181 Cb 0.46 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1rpa h LEU 181 CO -0.03 1.33 -0.06 0.22 0.09 0.00 0.00 178.44 179.99 1rpa h TYR 182 N 0.67 -0.15 -0.37 1.13 3.20 0.11 0.94 116.97 122.49 1rpa h TYR 182 Ca 0.01 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1rpa h TYR 182 Cb 1.15 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.46 1rpa h TYR 182 CO 0.07 0.13 0.20 0.00 -1.64 0.00 0.00 178.16 176.92 1rpa h GLU 184 N 0.47 0.00 0.03 0.00 4.11 -0.83 -2.22 114.58 116.14 1rpa h GLU 184 Ca 0.13 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.34 1rpa h GLU 184 Cb 0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1rpa h GLU 184 CO -0.02 0.00 -0.98 0.66 0.07 0.00 0.00 179.01 178.74 1rpa h SER 185 N 0.00 0.26 0.63 3.06 4.64 0.38 0.13 113.55 122.65 1rpa h SER 185 Ca 0.00 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1rpa h SER 185 Cb 0.57 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1rpa h SER 185 CO 0.00 1.10 0.00 0.52 -0.87 0.00 0.00 176.83 177.58 1rpa n VAL 186 N -3.58 0.41 -0.94 0.95 0.31 -0.58 -2.45 118.33 112.44 1rpa n VAL 186 Ca -0.04 0.10 0.09 0.00 -0.01 0.00 0.00 64.34 64.48 1rpa n VAL 186 Cb 0.88 -0.73 0.24 0.00 -0.91 0.00 0.00 33.84 33.32 1rpa n VAL 186 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1rpa n HIS 187 N -1.42 0.80 -3.73 3.52 8.25 -0.85 -4.93 115.22 116.86 1rpa n HIS 187 Ca 0.07 -0.86 -0.23 0.00 -0.26 0.00 0.00 57.72 56.44 1rpa n HIS 187 Cb 0.23 -0.28 0.03 0.00 1.12 0.00 0.00 29.99 31.10 1rpa n HIS 187 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1rpa n ASN 188 N -0.55 -1.99 -4.97 0.41 2.85 -1.03 -4.99 115.26 105.00 1rpa n ASN 188 Ca 0.20 -0.80 -0.22 0.00 -0.11 0.00 0.00 54.58 53.66 1rpa n ASN 188 Cb 0.83 -4.09 0.03 0.00 1.24 0.00 0.00 39.78 37.80 1rpa n ASN 188 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1rpa s PHE 189 N -3.58 2.93 -0.22 1.20 0.08 0.44 -5.05 117.98 113.78 1rpa s PHE 189 Ca 0.14 0.05 -0.17 0.00 0.12 0.00 0.00 56.93 57.08 1rpa s PHE 189 Cb -0.07 -2.69 -0.04 0.00 -0.57 0.00 0.00 43.02 39.65 1rpa s PHE 189 CO 0.81 -0.80 0.44 0.99 -0.10 0.00 0.00 175.22 176.55 1rpa s THR 190 N -2.75 5.16 0.54 0.64 2.01 -1.26 -4.65 115.64 115.33 1rpa s THR 190 Ca 0.56 0.76 -0.05 0.00 0.31 0.00 0.00 61.69 63.27 1rpa s THR 190 Cb -0.10 -3.76 -0.01 0.00 0.01 0.00 0.00 72.50 68.64 1rpa s THR 190 CO 0.39 0.19 0.83 -0.76 -0.69 0.00 0.00 174.62 174.58 1rpa s LEU 191 N 1.66 3.41 0.36 4.42 1.02 -1.26 -5.03 118.68 123.26 1rpa s LEU 191 Ca 0.20 0.69 -0.28 0.00 0.02 0.00 0.00 54.13 54.76 1rpa s LEU 191 Cb -0.15 -3.56 -0.11 0.00 0.02 0.00 0.00 46.19 42.38 1rpa s LEU 191 CO 0.09 -0.87 1.51 -2.16 0.02 0.00 0.00 176.35 174.93 1rpa s PRO 192 N -4.85 4.11 0.25 1.29 0.04 -1.26 -4.93 135.00 129.65 1rpa s PRO 192 Ca 0.51 2.58 -0.10 0.00 0.04 0.00 0.00 61.00 64.03 1rpa s PRO 192 Cb -0.10 -2.98 0.38 0.00 0.04 0.00 0.00 34.50 31.85 1rpa s PRO 192 CO 0.44 -0.55 1.48 2.41 0.04 0.00 0.00 177.00 180.82 1rpa n THR 193 N 0.73 -0.43 0.68 1.26 -1.04 -1.26 0.55 114.28 114.78 1rpa n THR 193 Ca 0.02 2.19 0.08 0.00 -2.04 0.00 0.00 64.05 64.30 1rpa n THR 193 Cb 0.39 -2.99 0.38 0.00 -1.82 0.00 0.00 70.33 66.29 1rpa n THR 193 CO 0.00 0.00 0.00 -2.67 -0.64 0.00 0.00 175.07 171.76 1rpa n TRP 194 N -5.51 0.00 -3.04 -1.42 4.27 -1.26 -3.94 117.44 106.54 1rpa n TRP 194 Ca 0.14 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.32 1rpa n TRP 194 Cb 0.45 -0.37 0.01 0.00 -1.36 0.00 0.00 31.31 30.04 1rpa n TRP 194 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1rpa n ALA 195 N -1.37 5.09 -1.94 -1.67 0.00 0.19 -4.77 120.51 116.04 1rpa n ALA 195 Ca 0.06 -4.79 -0.25 0.00 0.00 0.00 0.00 53.44 48.46 1rpa n ALA 195 Cb 0.15 -2.36 0.07 0.00 0.00 0.00 0.00 19.45 17.31 1rpa n ALA 195 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1rpa s THR 196 N -2.63 2.33 0.43 0.00 -4.23 -1.25 -4.76 115.64 105.52 1rpa s THR 196 Ca 0.31 -0.35 0.12 0.00 -1.18 0.00 0.00 61.69 60.60 1rpa s THR 196 Cb 0.03 -2.98 0.32 0.00 1.34 0.00 0.00 72.50 71.21 1rpa s THR 196 CO 0.09 0.00 1.99 -0.08 -0.54 0.00 0.00 174.62 176.08 1rpa h GLU 197 N -0.51 0.44 -0.25 3.99 4.81 -1.96 -0.29 114.58 120.81 1rpa h GLU 197 Ca -0.44 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 58.64 1rpa h GLU 197 Cb 1.31 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.59 1rpa h GLU 197 CO 0.57 0.29 -0.34 0.22 -0.73 0.00 0.00 179.01 179.02 1rpa h ASP 198 N 0.45 0.74 -0.02 1.04 3.58 -1.97 0.57 116.42 120.81 1rpa h ASP 198 Ca 0.26 -0.51 0.03 0.00 0.42 0.00 0.00 57.03 57.24 1rpa h ASP 198 Cb 0.43 -0.21 -0.05 0.00 1.72 0.00 0.00 39.33 41.21 1rpa h ASP 198 CO -0.07 1.10 -0.35 0.00 -2.88 0.00 0.00 179.24 177.03 1rpa h ALA 199 N 0.66 -0.51 0.16 -0.78 0.00 -1.41 -1.29 119.26 116.09 1rpa h ALA 199 Ca 0.03 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1rpa h ALA 199 Cb 0.93 0.63 -0.04 0.00 0.00 0.00 0.00 17.79 19.30 1rpa h ALA 199 CO 0.08 -0.86 -0.49 0.52 0.00 0.00 0.00 179.25 178.50 1rpa h MET 200 N -0.49 -0.72 -1.06 0.00 2.86 -1.13 0.79 114.93 115.18 1rpa h MET 200 Ca 0.06 0.05 0.29 0.00 -2.06 0.00 0.00 59.70 58.04 1rpa h MET 200 Cb 0.59 0.16 -0.06 0.00 0.06 0.00 0.00 31.60 32.35 1rpa h MET 200 CO -0.30 -0.48 0.73 1.15 1.06 0.00 0.00 176.91 179.07 1rpa h THR 201 N -0.75 0.49 0.02 2.22 2.02 -0.12 0.79 112.91 117.58 1rpa h THR 201 Ca -0.00 -0.06 -0.27 0.00 0.77 0.00 0.00 66.41 66.85 1rpa h THR 201 Cb 0.75 0.31 0.02 0.00 -1.74 0.00 0.00 68.15 67.49 1rpa h THR 201 CO -0.25 0.03 -1.07 0.11 0.37 0.00 0.00 175.52 174.71 1rpa h LYS 202 N 0.17 0.67 -0.11 6.66 1.79 0.24 -1.94 116.57 124.05 1rpa h LYS 202 Ca 0.54 -0.75 -0.01 0.00 -2.18 0.00 0.00 60.65 58.25 1rpa h LYS 202 Cb 1.81 0.22 -0.00 0.00 -1.58 0.00 0.00 32.23 32.68 1rpa h LYS 202 CO -0.12 1.33 0.02 -0.07 -1.08 0.00 0.00 179.45 179.53 1rpa h LEU 203 N 0.37 0.17 -0.43 2.94 3.38 0.15 -0.49 115.31 121.40 1rpa h LEU 203 Ca -0.14 -0.24 0.05 0.00 0.09 0.00 0.00 57.88 57.65 1rpa h LEU 203 Cb 1.73 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 42.39 1rpa h LEU 203 CO 0.21 0.36 0.17 0.50 0.09 0.00 0.00 178.44 179.77 1rpa h LYS 204 N -0.04 0.34 -0.79 1.13 3.64 -1.40 0.13 116.57 119.59 1rpa h LYS 204 Ca 0.03 -0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.51 1rpa h LYS 204 Cb 0.26 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 31.95 1rpa h LYS 204 CO 0.00 0.22 0.52 1.49 -2.27 0.00 0.00 179.45 179.41 1rpa h GLU 205 N 0.35 0.61 -0.04 1.90 4.81 -0.79 0.45 114.58 121.86 1rpa h GLU 205 Ca 0.20 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 59.23 1rpa h GLU 205 Cb 0.17 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1rpa h GLU 205 CO -0.19 0.40 -0.71 -0.07 -0.73 0.00 0.00 179.01 177.72 1rpa h LEU 206 N 0.63 0.26 -0.45 1.64 3.38 -0.02 -1.82 115.31 118.93 1rpa h LEU 206 Ca 0.38 -0.17 -0.18 0.00 0.09 0.00 0.00 57.88 58.00 1rpa h LEU 206 Cb 0.60 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1rpa h LEU 206 CO -0.14 0.88 -0.70 0.28 0.09 0.00 0.00 178.44 178.85 1rpa h SER 207 N 0.15 0.45 0.49 -0.43 0.02 0.21 0.66 113.55 115.11 1rpa h SER 207 Ca -0.02 -0.29 -0.09 0.00 -0.84 0.00 0.00 61.79 60.55 1rpa h SER 207 Cb 1.26 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.65 1rpa h SER 207 CO 0.11 1.01 -0.43 -0.33 -1.14 0.00 0.00 176.83 176.05 1rpa h GLU 208 N 0.27 0.00 0.00 3.45 5.08 -0.09 -2.36 114.58 120.93 1rpa h GLU 208 Ca -0.02 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.21 1rpa h GLU 208 Cb 1.26 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 1rpa h GLU 208 CO 0.12 0.43 -0.62 1.25 -1.00 0.00 0.00 179.01 179.19 1rpa h LEU 209 N 0.00 0.00 0.38 1.33 5.85 -0.43 -2.11 115.31 120.34 1rpa h LEU 209 Ca -0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1rpa h LEU 209 Cb 0.80 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.83 1rpa h LEU 209 CO 0.06 0.62 -0.18 0.28 -0.34 0.00 0.00 178.44 178.87 1rpa h SER 210 N 0.00 -0.43 -0.73 1.25 0.02 0.80 -2.93 113.55 111.53 1rpa h SER 210 Ca -0.01 -0.01 0.06 0.00 -0.84 0.00 0.00 61.79 60.99 1rpa h SER 210 Cb 1.46 0.11 -0.04 0.00 0.14 0.00 0.00 62.40 64.07 1rpa h SER 210 CO 0.08 -0.27 0.48 0.25 -1.14 0.00 0.00 176.83 176.23 1rpa h LEU 211 N -0.56 0.68 -0.47 5.07 5.85 -1.17 0.40 115.31 125.10 1rpa h LEU 211 Ca -0.05 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.59 1rpa h LEU 211 Cb 0.42 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1rpa h LEU 211 CO 0.09 0.44 -0.39 -0.07 -0.34 0.00 0.00 178.44 178.17 1rpa h LEU 212 N 0.77 0.00 -1.54 2.25 4.07 -1.47 -2.77 115.31 116.62 1rpa h LEU 212 Ca 0.31 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.27 1rpa h LEU 212 Cb 0.23 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.97 1rpa h LEU 212 CO -0.10 0.39 -0.02 0.28 -1.08 0.00 0.00 178.44 177.91 1rpa h SER 213 N 0.00 0.00 0.11 -0.43 0.02 -0.03 0.49 113.55 113.71 1rpa h SER 213 Ca -0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 1rpa h SER 213 Cb 1.12 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.67 1rpa h SER 213 CO 0.05 0.02 -0.67 0.25 -1.14 0.00 0.00 176.83 175.34 1rpa h LEU 214 N 0.00 0.36 0.00 5.07 5.85 -1.15 -3.42 115.31 122.02 1rpa h LEU 214 Ca -0.00 -0.95 -0.37 0.00 0.84 0.00 0.00 57.88 57.39 1rpa h LEU 214 Cb 0.49 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.34 1rpa h LEU 214 CO 0.00 1.32 -2.41 -1.22 -0.34 0.00 0.00 178.44 175.79 1rpa n TYR 215 N -4.22 0.00 0.00 1.25 4.01 -1.02 -4.96 117.16 112.21 1rpa n TYR 215 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 1rpa n TYR 215 Cb 0.75 -0.96 0.00 0.00 -0.31 0.00 0.00 39.34 38.82 1rpa n TYR 215 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1rpa n GLY 216 N 2.25 1.27 1.99 2.72 0.00 0.17 -4.38 105.19 109.21 1rpa n GLY 216 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1rpa n GLY 216 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1rpa n ILE 217 N 0.00 0.00 -3.62 -0.61 5.41 -1.21 -3.97 119.36 115.36 1rpa n ILE 217 Ca 0.00 0.00 -0.38 0.00 1.00 0.00 0.00 62.75 63.37 1rpa n ILE 217 Cb 0.00 0.00 -0.11 0.00 -0.71 0.00 0.00 39.64 38.82 1rpa n ILE 217 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 1rpa s HIS 218 N 0.00 3.20 -1.17 1.39 5.04 -1.26 -4.45 115.29 118.03 1rpa s HIS 218 Ca 0.00 0.02 -0.29 0.00 -1.54 0.00 0.00 55.06 53.25 1rpa s HIS 218 Cb 0.00 -2.35 0.03 0.00 0.04 0.00 0.00 32.58 30.30 1rpa s HIS 218 CO 0.00 -0.19 0.71 0.36 -2.34 0.00 0.00 174.74 173.28 1rpa n LYS 219 N 5.01 -0.58 0.12 2.88 2.85 -1.26 -4.84 118.16 122.35 1rpa n LYS 219 Ca -0.14 0.23 -0.13 0.00 -1.05 0.00 0.00 58.31 57.21 1rpa n LYS 219 Cb 0.52 -2.96 -0.08 0.00 -0.65 0.00 0.00 35.03 31.86 1rpa n LYS 219 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 177.40 177.72 1rpa h GLN 220 N -2.29 -0.61 -1.41 -1.58 4.15 -1.78 -2.78 115.11 108.81 1rpa h GLN 220 Ca -0.69 0.04 0.48 0.00 0.77 0.00 0.00 58.65 59.25 1rpa h GLN 220 Cb 1.39 0.14 -0.13 0.00 0.21 0.00 0.00 27.48 29.09 1rpa h GLN 220 CO 0.50 -0.41 0.92 0.87 -1.93 0.00 0.00 178.83 178.78 1rpa h LYS 221 N -0.63 0.02 0.33 1.69 6.56 -1.92 0.30 116.57 122.92 1rpa h LYS 221 Ca -0.02 -0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.56 1rpa h LYS 221 Cb 0.61 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.27 1rpa h LYS 221 CO -0.18 0.02 -0.16 1.49 -2.06 0.00 0.00 179.45 178.56 1rpa h GLU 222 N 0.02 -0.43 -0.75 3.15 4.81 -1.88 -2.23 114.58 117.28 1rpa h GLU 222 Ca 0.87 0.03 0.14 0.00 -0.13 0.00 0.00 59.36 60.27 1rpa h GLU 222 Cb 2.85 0.10 -0.14 0.00 0.63 0.00 0.00 28.75 32.18 1rpa h GLU 222 CO -0.42 -0.15 -0.25 0.87 -0.73 0.00 0.00 179.01 178.33 1rpa h LYS 223 N -1.02 -0.04 -0.88 1.92 1.57 -0.90 0.38 116.57 117.61 1rpa h LYS 223 Ca -0.05 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.84 1rpa h LYS 223 Cb 0.48 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.74 1rpa h LYS 223 CO 0.07 -0.03 0.57 0.77 -0.57 0.00 0.00 179.45 180.26 1rpa h SER 224 N -0.04 0.77 0.00 0.86 0.02 -0.45 -1.50 113.55 113.20 1rpa h SER 224 Ca 0.33 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 1rpa h SER 224 Cb 0.57 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1rpa h SER 224 CO -0.79 0.45 0.07 0.03 -1.14 0.00 0.00 176.83 175.45 1rpa h ARG 225 N 0.85 0.00 0.00 3.45 3.08 0.41 0.94 114.38 123.11 1rpa h ARG 225 Ca 0.41 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.46 1rpa h ARG 225 Cb 0.44 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1rpa h ARG 225 CO -0.18 0.00 -0.36 1.28 -1.07 0.00 0.00 179.97 179.65 1rpa n LEU 226 N -2.68 2.54 0.00 3.04 4.77 -0.57 -4.01 117.00 120.10 1rpa n LEU 226 Ca -0.02 -3.60 0.00 0.00 -0.03 0.00 0.00 56.01 52.36 1rpa n LEU 226 Cb 0.12 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 1rpa n LEU 226 CO 0.14 1.17 0.00 0.00 -1.33 0.00 0.00 177.39 177.37 1rpa n GLN 227 N -1.18 0.00 0.32 3.23 1.13 0.02 -4.69 117.38 116.22 1rpa n GLN 227 Ca 0.18 0.00 0.19 0.00 -1.94 0.00 0.00 57.00 55.42 1rpa n GLN 227 Cb 0.68 0.00 0.99 0.00 0.11 0.00 0.00 30.24 32.02 1rpa n GLN 227 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1rpa h GLY 228 N 0.00 0.00 0.65 1.08 0.00 -1.57 0.19 103.07 103.42 1rpa h GLY 228 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.40 1rpa h GLY 228 CO 0.00 0.00 0.49 -1.33 0.00 0.00 0.00 176.54 175.70 1rpa h GLY 229 N 0.00 1.24 0.90 4.60 0.00 -1.09 0.50 103.07 109.22 1rpa h GLY 229 Ca 0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 1rpa h GLY 229 CO 0.00 0.20 -0.32 -2.08 0.00 0.00 0.00 176.54 174.34 1rpa h VAL 230 N 0.87 0.28 -0.95 4.60 2.07 -0.82 0.34 116.25 122.63 1rpa h VAL 230 Ca 0.37 -0.16 0.11 0.00 0.82 0.00 0.00 66.70 67.84 1rpa h VAL 230 Cb 0.24 0.32 -0.07 0.00 -1.52 0.00 0.00 31.29 30.26 1rpa h VAL 230 CO -0.20 0.02 0.61 0.25 0.02 0.00 0.00 177.57 178.26 1rpa h LEU 231 N -1.02 0.85 -1.27 2.57 6.46 -1.59 0.30 115.31 121.61 1rpa h LEU 231 Ca -0.09 0.03 -0.08 0.00 -0.12 0.00 0.00 57.88 57.62 1rpa h LEU 231 Cb 0.72 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.50 1rpa h LEU 231 CO 0.15 0.48 -0.36 0.58 -0.62 0.00 0.00 178.44 178.67 1rpa h VAL 232 N 0.93 1.26 -0.31 1.05 2.07 -0.43 -0.42 116.25 120.39 1rpa h VAL 232 Ca 0.45 -1.24 -0.17 0.00 0.82 0.00 0.00 66.70 66.57 1rpa h VAL 232 Cb 0.46 1.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1rpa h VAL 232 CO -0.21 0.35 -0.46 -1.13 0.02 0.00 0.00 177.57 176.14 1rpa h ASN 233 N 0.01 0.91 0.42 0.57 -0.73 0.18 -2.60 115.58 114.34 1rpa h ASN 233 Ca -0.00 -0.45 -0.02 0.00 1.87 0.00 0.00 56.30 57.70 1rpa h ASN 233 Cb 0.64 -0.26 0.00 0.00 0.27 0.00 0.00 38.32 38.97 1rpa h ASN 233 CO 0.05 1.23 -0.20 -0.08 -0.37 0.00 0.00 177.43 178.05 1rpa h GLU 234 N 0.66 -0.54 -0.87 6.67 4.57 -0.89 -0.91 114.58 123.27 1rpa h GLU 234 Ca 0.04 0.04 0.12 0.00 -1.18 0.00 0.00 59.36 58.37 1rpa h GLU 234 Cb 1.05 0.12 -0.08 0.00 -0.16 0.00 0.00 28.75 29.68 1rpa h GLU 234 CO 0.10 -0.24 0.49 0.82 -1.18 0.00 0.00 179.01 179.01 1rpa h ILE 235 N -0.97 0.85 -0.24 2.32 2.04 -1.17 0.15 117.51 120.49 1rpa h ILE 235 Ca -0.06 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 1rpa h ILE 235 Cb 0.56 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1rpa h ILE 235 CO 0.09 0.14 0.08 -0.07 0.00 0.00 0.00 178.15 178.40 1rpa h LEU 236 N 0.77 0.34 -1.78 1.44 3.38 -1.41 0.58 115.31 118.62 1rpa h LEU 236 Ca 0.44 -0.19 0.15 0.00 0.09 0.00 0.00 57.88 58.37 1rpa h LEU 236 Cb 0.49 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 1rpa h LEU 236 CO -0.29 0.44 0.45 0.50 0.09 0.00 0.00 178.44 179.62 1rpa h LYS 237 N 0.22 0.21 0.00 1.13 3.11 0.58 0.73 116.57 122.55 1rpa h LYS 237 Ca 0.08 -0.01 -0.15 0.00 -2.81 0.00 0.00 60.65 57.76 1rpa h LYS 237 Cb 0.21 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.37 1rpa h LYS 237 CO -0.00 0.14 -0.86 -0.91 -2.81 0.00 0.00 179.45 175.01 1rpa h ASN 238 N 0.22 0.00 0.43 4.20 2.35 0.10 -3.11 115.58 119.77 1rpa h ASN 238 Ca 0.31 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.82 1rpa h ASN 238 Cb 0.93 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.30 1rpa h ASN 238 CO -0.06 0.64 -1.04 0.24 -1.65 0.00 0.00 177.43 175.55 1rpa h MET 239 N 0.00 0.37 0.07 0.81 2.86 0.26 -2.77 114.93 116.52 1rpa h MET 239 Ca -0.05 -0.46 -0.00 0.00 -2.06 0.00 0.00 59.70 57.13 1rpa h MET 239 Cb 1.53 0.14 0.00 0.00 0.06 0.00 0.00 31.60 33.34 1rpa h MET 239 CO 0.07 1.14 -0.03 0.87 1.06 0.00 0.00 176.91 180.03 1rpa h LYS 240 N 0.18 -0.09 -1.14 1.72 1.79 -0.81 -1.27 116.57 116.95 1rpa h LYS 240 Ca -0.10 0.01 0.33 0.00 -2.18 0.00 0.00 60.65 58.71 1rpa h LYS 240 Cb 1.71 0.02 -0.11 0.00 -1.58 0.00 0.00 32.23 32.27 1rpa h LYS 240 CO 0.18 0.16 0.73 -0.07 -1.08 0.00 0.00 179.45 179.37 1rpa h LEU 241 N -0.33 0.36 0.00 2.94 -0.00 -1.59 0.29 115.31 116.98 1rpa h LEU 241 Ca -0.01 0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.97 1rpa h LEU 241 Cb 0.29 0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.00 1rpa h LEU 241 CO 0.02 -0.02 0.00 0.00 -0.00 0.00 0.00 178.44 178.44 1rpa n ALA 242 N -2.49 2.07 -0.07 1.53 0.00 -0.48 -2.66 120.51 118.40 1rpa n ALA 242 Ca 0.30 -0.01 -0.12 0.00 0.00 0.00 0.00 53.44 53.61 1rpa n ALA 242 Cb 1.09 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 19.47 1rpa n ALA 242 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1rpa n THR 243 N -0.54 1.36 -1.62 0.00 -2.24 0.10 -4.90 114.28 106.45 1rpa n THR 243 Ca 0.01 0.04 -0.52 0.00 -2.27 0.00 0.00 64.05 61.31 1rpa n THR 243 Cb 0.00 -2.06 -0.06 0.00 -2.10 0.00 0.00 70.33 66.12 1rpa n THR 243 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1rpa n GLN 244 N -4.16 1.50 -0.29 -0.78 0.00 -1.09 -4.45 117.38 108.11 1rpa n GLN 244 Ca -0.21 0.51 0.12 0.00 -0.00 0.00 0.00 57.00 57.42 1rpa n GLN 244 Cb 0.53 -2.43 0.28 0.00 0.00 0.00 0.00 30.24 28.62 1rpa n GLN 244 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 1rpa h PRO 245 N 9.73 0.25 -0.02 3.69 0.13 -1.94 -1.90 132.00 141.95 1rpa h PRO 245 Ca -0.41 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1rpa h PRO 245 Cb 1.30 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1rpa h PRO 245 CO 0.98 0.17 -0.34 0.00 -0.23 0.00 0.00 178.00 178.57 1rpa n GLN 246 N -5.18 1.51 -2.68 0.86 0.00 -1.26 -4.92 117.38 105.71 1rpa n GLN 246 Ca 0.20 -1.06 -0.41 0.00 0.00 0.00 0.00 57.00 55.74 1rpa n GLN 246 Cb 0.64 -1.39 -0.05 0.00 0.00 0.00 0.00 30.24 29.44 1rpa n GLN 246 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 1rpa s LYS 247 N -2.14 4.74 -0.20 2.61 2.20 -0.72 -5.00 119.74 121.23 1rpa s LYS 247 Ca 0.18 1.54 -0.03 0.00 -0.36 0.00 0.00 55.97 57.30 1rpa s LYS 247 Cb 0.16 -3.31 -0.01 0.00 -1.51 0.00 0.00 37.83 33.17 1rpa s LYS 247 CO 0.46 0.31 -0.08 0.00 -0.36 0.00 0.00 175.35 175.68 1rpa s ALA 248 N -0.60 2.73 -0.30 3.13 0.00 -1.26 -4.76 121.76 120.70 1rpa s ALA 248 Ca 0.45 -1.13 -0.11 0.00 0.00 0.00 0.00 51.96 51.17 1rpa s ALA 248 Cb -0.26 -1.57 0.14 0.00 0.00 0.00 0.00 23.12 21.43 1rpa s ALA 248 CO 0.33 -0.32 0.71 1.03 0.00 0.00 0.00 175.76 177.50 1rpa s ARG 249 N 1.29 0.53 0.00 0.00 0.52 -1.26 -4.59 118.95 115.44 1rpa s ARG 249 Ca 0.03 1.32 0.00 0.00 -0.52 0.00 0.00 55.73 56.57 1rpa s ARG 249 Cb -0.14 0.80 0.00 0.00 0.52 0.00 0.00 34.95 36.12 1rpa s ARG 249 CO -0.03 -0.19 0.00 1.63 0.02 0.00 0.00 175.30 176.73 1rpa n LYS 250 N 5.36 0.00 -3.15 3.54 4.76 -0.85 -4.56 118.16 123.27 1rpa n LYS 250 Ca -0.11 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 54.94 1rpa n LYS 250 Cb 0.50 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.63 1rpa n LYS 250 CO 0.00 0.00 0.00 -0.48 -1.37 0.00 0.00 177.40 175.55 1rpa s LEU 251 N 0.00 4.55 0.04 -0.35 0.05 -1.25 -3.73 118.68 117.99 1rpa s LEU 251 Ca 0.00 1.42 0.03 0.00 0.05 0.00 0.00 54.13 55.63 1rpa s LEU 251 Cb 0.00 -3.07 -0.04 0.00 -2.05 0.00 0.00 46.19 41.04 1rpa s LEU 251 CO 0.00 0.24 0.02 -0.63 -0.55 0.00 0.00 176.35 175.43 1rpa s ILE 252 N -1.08 4.20 -0.19 1.48 1.01 -1.13 -1.03 121.20 124.47 1rpa s ILE 252 Ca 0.32 -0.75 -0.06 0.00 0.00 0.00 0.00 60.65 60.15 1rpa s ILE 252 Cb -0.21 -2.95 0.09 0.00 0.01 0.00 0.00 42.46 39.40 1rpa s ILE 252 CO 0.22 0.24 0.39 -0.32 0.00 0.00 0.00 174.94 175.47 1rpa s MET 253 N -1.97 0.29 -0.29 2.79 1.75 0.55 -3.01 119.30 119.41 1rpa s MET 253 Ca 0.24 0.97 -0.07 0.00 -1.25 0.00 0.00 55.69 55.57 1rpa s MET 253 Cb -0.12 0.25 -0.00 0.00 2.84 0.00 0.00 34.83 37.80 1rpa s MET 253 CO 0.15 -0.26 0.09 0.71 -0.65 0.00 0.00 175.02 175.06 1rpa s TYR 254 N 2.58 3.13 -0.25 4.11 2.02 -1.23 -1.64 117.35 126.07 1rpa s TYR 254 Ca -0.01 -0.76 -0.21 0.00 -0.37 0.00 0.00 57.07 55.72 1rpa s TYR 254 Cb -0.12 -2.27 -0.02 0.00 -0.40 0.00 0.00 41.96 39.15 1rpa s TYR 254 CO -0.12 -0.50 0.67 -1.12 -1.57 0.00 0.00 175.55 172.91 1rpa s SER 255 N 1.55 6.64 0.00 2.29 0.01 -0.76 -2.07 113.70 121.36 1rpa s SER 255 Ca 0.04 0.78 0.00 0.00 1.31 0.00 0.00 55.95 58.08 1rpa s SER 255 Cb -0.17 -2.36 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1rpa s SER 255 CO 0.03 -0.40 0.00 0.00 0.41 0.00 0.00 173.24 173.29 1rpa n ALA 256 N 5.74 0.00 -2.39 1.44 0.00 -0.67 -2.87 120.51 121.76 1rpa n ALA 256 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1rpa n ALA 256 Cb 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.84 1rpa n ALA 256 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1rpa s HIS 257 N 1.51 1.90 0.57 0.00 3.76 -1.26 -3.25 115.29 118.52 1rpa s HIS 257 Ca 0.00 -0.51 0.25 0.00 -0.15 0.00 0.00 55.06 54.65 1rpa s HIS 257 Cb 0.00 -0.88 1.62 0.00 1.11 0.00 0.00 32.58 34.43 1rpa s HIS 257 CO 0.00 0.46 2.20 0.38 -0.85 0.00 0.00 174.74 176.93 1rpa h ASP 258 N 2.45 0.00 0.60 1.40 3.04 -1.91 0.25 116.42 122.24 1rpa h ASP 258 Ca -0.39 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.40 1rpa h ASP 258 Cb 1.23 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.52 1rpa h ASP 258 CO 0.62 0.00 0.00 0.71 -2.04 0.00 0.00 179.24 178.53 1rpa h THR 259 N 0.00 0.00 0.02 1.15 1.35 -1.97 -1.77 112.91 111.69 1rpa h THR 259 Ca 0.02 -0.21 -0.19 0.00 -0.55 0.00 0.00 66.41 65.48 1rpa h THR 259 Cb 0.08 0.94 -0.02 0.00 -1.73 0.00 0.00 68.15 67.42 1rpa h THR 259 CO -0.00 0.00 -1.00 0.74 -0.25 0.00 0.00 175.52 175.01 1rpa h THR 260 N 0.00 1.13 -0.13 6.82 2.02 -0.76 -1.90 112.91 120.09 1rpa h THR 260 Ca 0.00 -2.25 0.04 0.00 0.77 0.00 0.00 66.41 64.97 1rpa h THR 260 Cb 0.30 2.57 -0.05 0.00 -1.74 0.00 0.00 68.15 69.22 1rpa h THR 260 CO 0.00 0.45 -0.20 0.58 0.37 0.00 0.00 175.52 176.72 1rpa h VAL 261 N -0.89 0.50 -0.16 3.16 2.07 -1.40 0.77 116.25 120.31 1rpa h VAL 261 Ca -0.26 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.21 1rpa h VAL 261 Cb 1.31 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1rpa h VAL 261 CO -0.12 0.00 -0.10 0.77 0.02 0.00 0.00 177.57 178.14 1rpa h SER 262 N -0.25 0.37 -0.69 0.57 4.64 -1.48 -0.47 113.55 116.24 1rpa h SER 262 Ca 0.10 -0.43 0.08 0.00 -0.47 0.00 0.00 61.79 61.07 1rpa h SER 262 Cb 0.39 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 62.34 1rpa h SER 262 CO -0.27 0.72 0.46 1.23 -0.87 0.00 0.00 176.83 178.09 1rpa h GLY 263 N 0.02 0.85 0.47 -0.77 0.00 -1.17 0.27 103.07 102.73 1rpa h GLY 263 Ca 0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 1rpa h GLY 263 CO 0.03 0.18 -0.12 -2.00 0.00 0.00 0.00 176.54 174.62 1rpa h LEU 264 N 0.64 -0.29 -1.54 3.11 5.85 -0.82 -2.58 115.31 119.68 1rpa h LEU 264 Ca 0.31 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.82 1rpa h LEU 264 Cb 0.37 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 1rpa h LEU 264 CO -0.10 0.19 0.35 1.56 -0.34 0.00 0.00 178.44 180.09 1rpa h GLN 265 N -0.88 0.59 0.00 1.25 4.20 -0.44 -0.02 115.11 119.82 1rpa h GLN 265 Ca -0.03 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 1rpa h GLN 265 Cb 0.51 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.15 1rpa h GLN 265 CO 0.06 0.39 -0.15 1.98 -0.67 0.00 0.00 178.83 180.44 1rpa h MET 266 N 0.61 0.00 0.21 1.46 4.05 -0.43 0.56 114.93 121.39 1rpa h MET 266 Ca 0.21 0.00 -0.29 0.00 -0.28 0.00 0.00 59.70 59.34 1rpa h MET 266 Cb 0.07 0.00 0.03 0.00 -0.80 0.00 0.00 31.60 30.90 1rpa h MET 266 CO -0.05 0.15 -1.29 0.00 0.23 0.00 0.00 176.91 175.95 1rpa h ALA 267 N 1.85 -0.12 0.00 0.39 0.00 -0.66 -3.04 119.26 117.68 1rpa h ALA 267 Ca -0.00 -0.83 -0.02 0.00 0.00 0.00 0.00 54.91 54.05 1rpa h ALA 267 Cb 0.48 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1rpa h ALA 267 CO 0.02 0.62 -0.12 -0.07 0.00 0.00 0.00 179.25 179.70 1rpa h LEU 268 N -0.03 0.00 -2.19 0.00 3.38 -0.44 -3.47 115.31 112.56 1rpa h LEU 268 Ca -0.23 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.64 1rpa h LEU 268 Cb 2.00 0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.81 1rpa h LEU 268 CO 0.23 0.12 -0.27 -0.67 0.09 0.00 0.00 178.44 177.94 1rpa n ASP 269 N -3.63 -2.52 0.00 -0.43 -0.08 0.18 -4.60 116.55 105.47 1rpa n ASP 269 Ca -0.02 -0.22 0.00 0.00 -1.51 0.00 0.00 54.79 53.04 1rpa n ASP 269 Cb 0.24 -2.06 0.00 0.00 2.34 0.00 0.00 41.12 41.64 1rpa n ASP 269 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1rpa n VAL 270 N -2.06 0.04 -2.31 5.18 0.31 -0.57 -4.34 118.33 114.58 1rpa n VAL 270 Ca -0.07 -0.04 -0.43 0.00 -0.01 0.00 0.00 64.34 63.79 1rpa n VAL 270 Cb 0.55 1.16 -0.02 0.00 -0.91 0.00 0.00 33.84 34.62 1rpa n VAL 270 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1rpa s TYR 271 N -0.04 2.61 -1.33 3.52 5.04 -1.23 -4.86 117.35 121.05 1rpa s TYR 271 Ca 0.00 0.78 0.00 0.00 -2.44 0.00 0.00 57.07 55.41 1rpa s TYR 271 Cb 0.00 -3.62 0.00 0.00 0.35 0.00 0.00 41.96 38.69 1rpa s TYR 271 CO 0.00 -2.29 0.36 0.27 -1.34 0.00 0.00 175.55 172.55 1rpa n ASN 272 N 6.75 0.36 0.00 4.32 6.94 -1.26 -4.82 115.26 127.56 1rpa n ASN 272 Ca 0.15 -1.08 0.00 0.00 -0.02 0.00 0.00 54.58 53.62 1rpa n ASN 272 Cb 0.44 -0.18 0.00 0.00 -2.36 0.00 0.00 39.78 37.68 1rpa n ASN 272 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1rpa n GLY 273 N 0.17 1.45 3.90 4.83 0.00 -1.26 -4.97 105.19 109.31 1rpa n GLY 273 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1rpa n GLY 273 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rpa s LEU 274 N 0.00 2.90 0.10 0.99 1.02 -1.26 -4.91 118.68 117.51 1rpa s LEU 274 Ca 0.00 0.89 -0.29 0.00 0.02 0.00 0.00 54.13 54.75 1rpa s LEU 274 Cb 0.00 -3.62 -0.06 0.00 0.02 0.00 0.00 46.19 42.53 1rpa s LEU 274 CO 0.00 -1.41 0.93 -0.76 0.02 0.00 0.00 176.35 175.14 1rpa s LEU 275 N -5.30 4.49 0.00 1.79 1.43 -1.26 -4.96 118.68 114.87 1rpa s LEU 275 Ca 0.58 1.74 -0.30 0.00 -1.03 0.00 0.00 54.13 55.11 1rpa s LEU 275 Cb -0.11 -3.53 -0.07 0.00 0.03 0.00 0.00 46.19 42.51 1rpa s LEU 275 CO 0.49 -0.06 1.65 -2.84 0.23 0.00 0.00 176.35 175.82 1rpa s PRO 276 N 0.04 4.19 1.13 1.29 0.02 -1.26 -4.96 135.00 135.45 1rpa s PRO 276 Ca 0.46 2.25 -0.13 0.00 0.02 0.00 0.00 61.00 63.60 1rpa s PRO 276 Cb -0.23 -3.82 0.26 0.00 0.02 0.00 0.00 34.50 30.74 1rpa s PRO 276 CO 0.29 -0.79 1.05 -2.14 -0.33 0.00 0.00 177.00 175.08 1rpa s PRO 277 N 3.40 -0.60 0.18 5.54 0.02 -1.26 -4.80 135.00 137.48 1rpa s PRO 277 Ca 0.74 0.68 -0.32 0.00 0.02 0.00 0.00 61.00 62.12 1rpa s PRO 277 Cb -0.36 -1.60 -0.11 0.00 0.02 0.00 0.00 34.50 32.45 1rpa s PRO 277 CO 0.31 -3.47 1.62 0.71 -0.33 0.00 0.00 177.00 175.84 1rpa s TYR 278 N -2.63 3.01 -0.76 6.54 2.02 -1.26 -0.83 117.35 123.43 1rpa s TYR 278 Ca 0.68 0.53 0.00 0.00 -0.37 0.00 0.00 57.07 57.91 1rpa s TYR 278 Cb -0.23 -4.00 0.00 0.00 -0.40 0.00 0.00 41.96 37.33 1rpa s TYR 278 CO 0.62 -3.73 0.00 0.00 -1.57 0.00 0.00 175.55 170.88 1rpa n ALA 279 N 3.96 -0.19 -1.77 3.71 0.00 -1.01 -4.92 120.51 120.29 1rpa n ALA 279 Ca 0.15 0.09 -0.36 0.00 0.00 0.00 0.00 53.44 53.32 1rpa n ALA 279 Cb 0.37 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1rpa n ALA 279 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1rpa s SER 280 N -2.74 5.78 -0.07 0.00 1.04 -0.01 -4.57 113.70 113.12 1rpa s SER 280 Ca 0.00 2.24 0.01 0.00 0.48 0.00 0.00 55.95 58.68 1rpa s SER 280 Cb 0.00 -2.59 0.02 0.00 0.10 0.00 0.00 66.02 63.55 1rpa s SER 280 CO 0.00 -1.18 -0.07 0.00 0.98 0.00 0.00 173.24 172.96 1rpa s HIS 282 N 1.10 2.98 -0.25 0.00 5.04 -0.63 -1.34 115.29 122.19 1rpa s HIS 282 Ca -0.07 -0.68 -0.22 0.00 -1.54 0.00 0.00 55.06 52.55 1rpa s HIS 282 Cb -0.14 -3.83 -0.01 0.00 0.04 0.00 0.00 32.58 28.63 1rpa s HIS 282 CO -0.01 -1.22 0.70 0.42 -2.34 0.00 0.00 174.74 172.30 1rpa s ILE 283 N 2.86 4.93 -0.23 0.89 1.01 -0.63 -3.73 121.20 126.30 1rpa s ILE 283 Ca 0.15 1.29 0.02 0.00 0.00 0.00 0.00 60.65 62.11 1rpa s ILE 283 Cb -0.21 -4.00 0.04 0.00 0.01 0.00 0.00 42.46 38.31 1rpa s ILE 283 CO 0.10 -0.01 -0.14 -0.04 0.00 0.00 0.00 174.94 174.85 1rpa s MET 284 N 2.63 2.57 0.19 2.79 -1.94 -0.11 -1.39 119.30 124.03 1rpa s MET 284 Ca 0.29 -1.12 0.11 0.00 -1.71 0.00 0.00 55.69 53.26 1rpa s MET 284 Cb -0.15 -2.78 -0.04 0.00 2.01 0.00 0.00 34.83 33.86 1rpa s MET 284 CO 0.08 -0.42 -0.23 -1.83 -0.01 0.00 0.00 175.02 172.61 1rpa s GLU 285 N 1.19 1.47 -0.14 2.03 -1.05 -0.82 -0.58 118.70 120.80 1rpa s GLU 285 Ca -0.03 -1.50 0.03 0.00 -0.15 0.00 0.00 54.97 53.32 1rpa s GLU 285 Cb -0.17 -1.76 0.01 0.00 -0.44 0.00 0.00 34.13 31.77 1rpa s GLU 285 CO -0.08 0.38 -0.22 -1.17 0.95 0.00 0.00 175.26 175.12 1rpa s LEU 286 N -2.65 2.11 0.09 1.83 2.96 -1.03 -1.10 118.68 120.90 1rpa s LEU 286 Ca 0.20 -0.60 0.08 0.00 -0.22 0.00 0.00 54.13 53.58 1rpa s LEU 286 Cb -0.08 -1.44 -0.04 0.00 0.50 0.00 0.00 46.19 45.13 1rpa s LEU 286 CO 0.09 0.09 -0.15 -0.31 -1.32 0.00 0.00 176.35 174.75 1rpa s TYR 287 N 0.77 2.62 -0.09 5.38 1.51 0.84 -0.08 117.35 128.31 1rpa s TYR 287 Ca -0.08 -0.22 -0.01 0.00 -1.01 0.00 0.00 57.07 55.76 1rpa s TYR 287 Cb -0.16 -1.41 -0.03 0.00 -0.11 0.00 0.00 41.96 40.25 1rpa s TYR 287 CO -0.01 0.37 -0.05 -1.14 -1.11 0.00 0.00 175.55 173.61 1rpa s GLN 288 N -1.97 2.96 -0.24 -0.62 2.00 0.20 -0.16 119.66 121.84 1rpa s GLN 288 Ca 0.18 -0.51 -0.26 0.00 -2.00 0.00 0.00 55.36 52.77 1rpa s GLN 288 Cb -0.11 -2.69 0.09 0.00 0.80 0.00 0.00 33.01 31.10 1rpa s GLN 288 CO 0.10 0.60 0.82 0.34 -0.50 0.00 0.00 175.29 176.65 1rpa s ASP 289 N -0.62 -0.64 0.00 6.67 2.15 0.11 0.22 116.67 124.56 1rpa s ASP 289 Ca 0.10 1.15 0.00 0.00 0.43 0.00 0.00 52.55 54.23 1rpa s ASP 289 Cb -0.12 1.14 0.00 0.00 -0.30 0.00 0.00 42.92 43.64 1rpa s ASP 289 CO 0.02 -0.27 0.00 -0.46 -0.17 0.00 0.00 175.17 174.29 1rpa n ASN 290 N 2.26 0.00 0.00 -0.34 6.94 -1.26 -1.37 115.26 121.48 1rpa n ASN 290 Ca -0.14 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.42 1rpa n ASN 290 Cb 0.56 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.98 1rpa n ASN 290 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1rpa n GLY 291 N 0.00 -0.80 0.00 4.83 0.00 -1.26 -5.04 105.19 102.91 1rpa n GLY 291 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1rpa n GLY 291 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rpa n GLY 292 N 1.04 1.88 3.16 -0.02 0.00 -0.47 -5.06 105.19 105.71 1rpa n GLY 292 Ca 0.00 -1.79 -0.22 0.00 0.00 0.00 0.00 46.02 44.01 1rpa n GLY 292 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rpa s HIS 293 N 4.16 1.38 -0.05 1.61 3.76 -1.26 0.09 115.29 124.99 1rpa s HIS 293 Ca 0.00 -0.32 0.02 0.00 -0.15 0.00 0.00 55.06 54.61 1rpa s HIS 293 Cb 0.00 -0.85 0.02 0.00 1.11 0.00 0.00 32.58 32.86 1rpa s HIS 293 CO 0.00 0.02 -0.08 -0.06 -0.85 0.00 0.00 174.74 173.78 1rpa s PHE 294 N -0.65 1.01 -0.33 1.40 0.08 0.78 -1.37 117.98 118.90 1rpa s PHE 294 Ca 0.04 -0.32 -0.11 0.00 0.12 0.00 0.00 56.93 56.66 1rpa s PHE 294 Cb -0.07 -0.80 -0.01 0.00 -0.57 0.00 0.00 43.02 41.57 1rpa s PHE 294 CO 0.01 -0.20 0.20 0.08 -0.10 0.00 0.00 175.22 175.20 1rpa s VAL 295 N 0.72 4.97 -0.01 -0.44 1.01 -0.19 -0.11 120.40 126.35 1rpa s VAL 295 Ca -0.12 -0.32 0.06 0.00 0.00 0.00 0.00 61.98 61.60 1rpa s VAL 295 Cb -0.14 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 1rpa s VAL 295 CO 0.02 0.02 -0.18 -1.61 0.00 0.00 0.00 175.10 173.34 1rpa s GLU 296 N 1.67 2.27 0.20 2.72 2.02 -0.25 -3.27 118.70 124.05 1rpa s GLU 296 Ca 0.05 -0.84 0.08 0.00 0.02 0.00 0.00 54.97 54.27 1rpa s GLU 296 Cb -0.17 -2.24 -0.04 0.00 0.10 0.00 0.00 34.13 31.78 1rpa s GLU 296 CO 0.09 0.58 0.02 -1.64 0.02 0.00 0.00 175.26 174.33 1rpa s MET 297 N -0.94 2.45 0.28 1.61 -1.94 -1.26 -1.95 119.30 117.55 1rpa s MET 297 Ca 0.12 -1.15 0.00 0.00 -1.71 0.00 0.00 55.69 52.96 1rpa s MET 297 Cb -0.10 -2.35 -0.03 0.00 2.01 0.00 0.00 34.83 34.36 1rpa s MET 297 CO 0.02 0.44 0.28 0.71 -0.01 0.00 0.00 175.02 176.45 1rpa s TYR 298 N -1.87 1.27 -0.27 -0.03 1.51 -0.49 -3.41 117.35 114.07 1rpa s TYR 298 Ca 0.29 -1.40 -0.04 0.00 -1.01 0.00 0.00 57.07 54.91 1rpa s TYR 298 Cb -0.09 -0.46 0.15 0.00 -0.11 0.00 0.00 41.96 41.46 1rpa s TYR 298 CO 0.19 -0.85 0.50 -0.47 -1.11 0.00 0.00 175.55 173.82 1rpa s TYR 299 N -3.70 -1.19 -0.99 2.71 5.04 -0.35 -1.60 117.35 117.27 1rpa s TYR 299 Ca 0.36 1.47 -0.13 0.00 -2.44 0.00 0.00 57.07 56.33 1rpa s TYR 299 Cb 0.03 0.38 0.22 0.00 0.35 0.00 0.00 41.96 42.94 1rpa s TYR 299 CO 0.19 -0.74 1.02 0.50 -1.34 0.00 0.00 175.55 175.17 1rpa s ARG 300 N 2.72 3.87 -0.08 4.97 6.06 -0.45 -1.23 118.95 134.80 1rpa s ARG 300 Ca 0.11 -2.64 0.20 0.00 -2.50 0.00 0.00 55.73 50.91 1rpa s ARG 300 Cb -0.14 -4.62 -0.28 0.00 0.06 0.00 0.00 34.95 29.97 1rpa s ARG 300 CO -0.18 -1.40 0.36 0.27 -2.50 0.00 0.00 175.30 171.85 1rpa n ASN 301 N 4.11 0.09 -4.13 -2.12 0.23 -1.26 -1.91 115.26 110.27 1rpa n ASN 301 Ca 0.21 0.04 -0.22 0.00 -0.53 0.00 0.00 54.58 54.08 1rpa n ASN 301 Cb 0.44 1.43 -0.14 0.00 -2.08 0.00 0.00 39.78 39.42 1rpa n ASN 301 CO 0.00 0.00 0.00 -1.83 -0.93 0.00 0.00 177.26 174.50 1rpa s GLU 302 N -3.07 1.10 0.42 -3.83 1.03 -1.26 -4.72 118.70 108.36 1rpa s GLU 302 Ca -0.08 -0.61 0.20 0.00 0.03 0.00 0.00 54.97 54.51 1rpa s GLU 302 Cb 0.10 -1.08 1.15 0.00 -0.80 0.00 0.00 34.13 33.50 1rpa s GLU 302 CO 0.87 0.29 1.78 1.15 -1.33 0.00 0.00 175.26 178.02 1rpa h THR 303 N 4.68 0.52 -0.89 1.83 2.02 -1.98 -3.24 112.91 115.85 1rpa h THR 303 Ca -0.36 -0.12 -0.59 0.00 0.77 0.00 0.00 66.41 66.11 1rpa h THR 303 Cb 1.17 0.14 -0.31 0.00 -1.74 0.00 0.00 68.15 67.41 1rpa h THR 303 CO 0.47 0.06 0.37 0.00 0.37 0.00 0.00 175.52 176.80 1rpa n GLN 304 N -4.57 2.80 -3.57 6.66 0.00 -1.26 -4.88 117.38 112.55 1rpa n GLN 304 Ca 0.25 -3.47 -0.15 0.00 0.00 0.00 0.00 57.00 53.63 1rpa n GLN 304 Cb 0.90 -2.24 -0.06 0.00 0.00 0.00 0.00 30.24 28.84 1rpa n GLN 304 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 1rpa s ASN 305 N -2.26 -0.50 1.05 2.61 -0.87 -1.22 -5.14 114.94 108.60 1rpa s ASN 305 Ca 0.59 0.38 -0.14 0.00 -1.57 0.00 0.00 52.86 52.12 1rpa s ASN 305 Cb 0.47 0.49 0.21 0.00 -0.02 0.00 0.00 41.25 42.41 1rpa s ASN 305 CO 0.01 -0.64 1.10 -1.83 -2.57 0.00 0.00 177.10 173.17 1rpa s GLU 306 N -1.82 0.03 0.09 -0.60 -1.05 -1.26 -4.80 118.70 109.29 1rpa s GLU 306 Ca -0.09 0.36 -0.31 0.00 -0.15 0.00 0.00 54.97 54.79 1rpa s GLU 306 Cb -0.01 -1.70 -0.06 0.00 -0.44 0.00 0.00 34.13 31.91 1rpa s GLU 306 CO 0.04 -2.97 1.21 -2.14 0.95 0.00 0.00 175.26 172.35 1rpa s PRO 307 N -5.06 4.44 0.08 -4.83 0.02 -1.26 -4.94 135.00 123.44 1rpa s PRO 307 Ca 0.67 1.81 -0.31 0.00 0.02 0.00 0.00 61.00 63.19 1rpa s PRO 307 Cb -0.17 -3.32 -0.09 0.00 0.02 0.00 0.00 34.50 30.94 1rpa s PRO 307 CO 0.57 -0.24 1.83 0.71 -0.33 0.00 0.00 177.00 179.54 1rpa s TYR 308 N 0.86 1.95 -0.27 6.54 2.02 -0.37 -4.51 117.35 123.57 1rpa s TYR 308 Ca 0.58 -0.07 -0.26 0.00 -0.37 0.00 0.00 57.07 56.95 1rpa s TYR 308 Cb -0.31 -4.14 0.01 0.00 -0.40 0.00 0.00 41.96 37.11 1rpa s TYR 308 CO 0.31 -4.82 0.93 -1.25 -1.57 0.00 0.00 175.55 169.14 1rpa s PRO 309 N 3.26 4.12 0.15 -1.71 0.04 -1.26 -1.22 135.00 138.39 1rpa s PRO 309 Ca 0.81 0.99 -0.20 0.00 0.04 0.00 0.00 61.00 62.65 1rpa s PRO 309 Cb -0.43 -3.68 -0.07 0.00 0.04 0.00 0.00 34.50 30.35 1rpa s PRO 309 CO 0.37 -0.67 0.66 -0.51 0.04 0.00 0.00 177.00 176.88 1rpa s LEU 310 N 3.14 4.45 -0.05 -3.56 1.43 -1.22 -4.99 118.68 117.88 1rpa s LEU 310 Ca 0.39 1.36 0.03 0.00 -1.03 0.00 0.00 54.13 54.88 1rpa s LEU 310 Cb -0.14 -3.26 0.00 0.00 0.03 0.00 0.00 46.19 42.83 1rpa s LEU 310 CO 0.10 0.16 -0.14 -0.89 0.23 0.00 0.00 176.35 175.80 1rpa s THR 311 N -1.31 1.25 0.05 5.49 2.01 -1.26 -4.03 115.64 117.84 1rpa s THR 311 Ca 0.36 -0.58 -0.31 0.00 0.31 0.00 0.00 61.69 61.47 1rpa s THR 311 Cb -0.19 -1.11 -0.06 0.00 0.01 0.00 0.00 72.50 71.16 1rpa s THR 311 CO 0.21 0.37 1.34 -0.22 -0.69 0.00 0.00 174.62 175.63 1rpa s LEU 312 N 0.34 4.34 0.07 4.42 2.96 -1.26 -4.88 118.68 124.67 1rpa s LEU 312 Ca -0.09 2.15 -0.34 0.00 -0.22 0.00 0.00 54.13 55.63 1rpa s LEU 312 Cb -0.13 -3.57 -0.13 0.00 0.50 0.00 0.00 46.19 42.85 1rpa s LEU 312 CO 0.03 -0.63 1.69 -0.81 -1.32 0.00 0.00 176.35 175.31 1rpa n PRO 313 N 4.55 2.19 0.00 0.98 -0.04 -1.26 -2.77 135.00 138.65 1rpa n PRO 313 Ca 0.11 0.79 0.00 0.00 -0.04 0.00 0.00 63.50 64.37 1rpa n PRO 313 Cb 0.44 -2.60 0.00 0.00 -0.04 0.00 0.00 33.50 31.30 1rpa n PRO 313 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1rpa n GLY 314 N 3.79 0.63 3.40 0.55 0.00 -1.26 -5.07 105.19 107.24 1rpa n GLY 314 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 1rpa n GLY 314 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rpa s THR 316 N -3.45 2.10 0.26 0.00 -1.32 -1.26 -4.78 115.64 107.19 1rpa s THR 316 Ca 0.32 -0.21 -0.03 0.00 -1.21 0.00 0.00 61.69 60.56 1rpa s THR 316 Cb 0.05 -2.89 0.25 0.00 -1.51 0.00 0.00 72.50 68.40 1rpa s THR 316 CO 0.17 0.00 1.86 -0.74 -2.21 0.00 0.00 174.62 173.69 1rpa h HIS 317 N -1.07 1.09 -2.72 9.09 2.76 -1.92 -2.10 115.15 120.28 1rpa h HIS 317 Ca -0.43 0.03 -0.76 0.00 -2.20 0.00 0.00 60.37 57.02 1rpa h HIS 317 Cb 1.27 -0.35 -0.32 0.00 1.55 0.00 0.00 27.41 29.56 1rpa h HIS 317 CO -0.43 0.53 0.44 0.45 -1.30 0.00 0.00 177.93 177.62 1rpa n SER 318 N -4.59 5.79 -4.65 3.26 2.88 -1.26 -4.41 113.62 110.64 1rpa n SER 318 Ca 0.15 -3.43 -0.44 0.00 -1.33 0.00 0.00 58.87 53.81 1rpa n SER 318 Cb 0.22 -1.12 -0.02 0.00 -0.75 0.00 0.00 64.21 62.55 1rpa n SER 318 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rpa s PRO 320 N -1.25 4.53 0.22 0.00 0.02 -1.26 -1.03 135.00 136.24 1rpa s PRO 320 Ca 0.61 1.96 -0.16 0.00 0.02 0.00 0.00 61.00 63.43 1rpa s PRO 320 Cb -0.65 -3.15 0.23 0.00 0.02 0.00 0.00 34.50 30.96 1rpa s PRO 320 CO 0.57 0.06 1.59 1.25 -0.33 0.00 0.00 177.00 180.14 1rpa h LEU 321 N 3.69 -0.99 -1.60 -5.54 5.85 -1.55 0.16 115.31 115.32 1rpa h LEU 321 Ca -0.47 0.24 0.15 0.00 0.84 0.00 0.00 57.88 58.64 1rpa h LEU 321 Cb 1.22 0.56 -0.05 0.00 0.37 0.00 0.00 40.66 42.75 1rpa h LEU 321 CO 0.67 -0.28 0.50 -0.33 -0.34 0.00 0.00 178.44 178.66 1rpa h GLU 322 N -0.06 0.38 0.21 1.25 3.07 -1.92 -0.08 114.58 117.43 1rpa h GLU 322 Ca 0.31 -0.02 -0.34 0.00 -0.50 0.00 0.00 59.36 58.81 1rpa h GLU 322 Cb 0.57 -0.09 0.02 0.00 -0.84 0.00 0.00 28.75 28.41 1rpa h GLU 322 CO -0.78 0.25 -1.63 -0.22 -1.40 0.00 0.00 179.01 175.23 1rpa h LYS 323 N 0.40 0.45 -0.30 2.33 3.64 -1.12 -3.05 116.57 118.92 1rpa h LYS 323 Ca 0.37 -0.78 0.07 0.00 -1.27 0.00 0.00 60.65 59.04 1rpa h LYS 323 Cb 0.86 0.29 -0.07 0.00 -0.41 0.00 0.00 32.23 32.90 1rpa h LYS 323 CO -0.11 1.37 -0.19 0.35 -2.27 0.00 0.00 179.45 178.60 1rpa h PHE 324 N 0.12 -0.48 -0.83 1.91 3.04 -0.39 0.47 116.94 120.79 1rpa h PHE 324 Ca -0.30 0.04 0.08 0.00 3.98 0.00 0.00 57.97 61.76 1rpa h PHE 324 Cb 2.13 0.26 -0.07 0.00 2.56 0.00 0.00 35.95 40.83 1rpa h PHE 324 CO 0.11 -0.26 0.49 0.00 -2.02 0.00 0.00 178.31 176.63 1rpa h ALA 325 N 1.03 1.17 -0.28 2.41 0.00 -1.14 -2.20 119.26 120.24 1rpa h ALA 325 Ca 0.16 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 1rpa h ALA 325 Cb 0.40 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1rpa h ALA 325 CO -0.40 0.17 -0.48 1.49 0.00 0.00 0.00 179.25 180.03 1rpa h GLU 326 N 0.86 0.76 -0.18 0.00 4.81 -0.46 -2.44 114.58 117.94 1rpa h GLU 326 Ca 0.38 -0.45 -0.08 0.00 -0.13 0.00 0.00 59.36 59.09 1rpa h GLU 326 Cb 0.28 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 1rpa h GLU 326 CO -0.21 1.07 -0.21 -0.07 -0.73 0.00 0.00 179.01 178.86 1rpa h LEU 327 N 0.60 0.49 -1.30 1.64 3.38 0.32 -3.24 115.31 117.22 1rpa h LEU 327 Ca 0.03 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 1rpa h LEU 327 Cb 1.05 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 1rpa h LEU 327 CO 0.10 0.89 -0.04 -0.07 0.09 0.00 0.00 178.44 179.42 1rpa h LEU 328 N 0.11 0.00 -1.60 1.67 -0.00 -1.44 -3.33 115.31 110.71 1rpa h LEU 328 Ca 0.02 0.00 0.26 0.00 -0.00 0.00 0.00 57.88 58.16 1rpa h LEU 328 Cb 0.76 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.39 1rpa h LEU 328 CO 0.05 0.04 0.89 -0.78 -0.00 0.00 0.00 178.44 178.64 1rpa h ASP 329 N 0.00 0.00 0.65 -0.43 1.82 -1.46 0.54 116.42 117.54 1rpa h ASP 329 Ca -0.00 0.00 -0.16 0.00 -0.39 0.00 0.00 57.03 56.48 1rpa h ASP 329 Cb 0.59 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.58 1rpa h ASP 329 CO 0.00 0.00 -0.72 1.55 -1.61 0.00 0.00 179.24 178.46 1rpa h PRO 330 N 0.00 0.06 -0.00 0.28 0.13 -1.84 -3.14 132.00 127.49 1rpa h PRO 330 Ca 0.42 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.50 1rpa h PRO 330 Cb 2.20 0.01 0.00 0.00 0.13 0.00 0.00 31.00 33.34 1rpa h PRO 330 CO -0.00 0.76 -0.14 1.55 -0.23 0.00 0.00 178.00 179.93 1rpa n VAL 331 N -3.71 0.00 -3.24 1.56 3.14 0.19 -4.78 118.33 111.49 1rpa n VAL 331 Ca -0.01 -0.08 -0.39 0.00 -2.96 0.00 0.00 64.34 60.89 1rpa n VAL 331 Cb 0.70 0.02 -0.07 0.00 -1.06 0.00 0.00 33.84 33.44 1rpa n VAL 331 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 1rpa s ILE 332 N -2.49 5.09 0.29 1.55 1.01 -1.11 -3.45 121.20 122.09 1rpa s ILE 332 Ca 0.28 0.93 -0.29 0.00 0.00 0.00 0.00 60.65 61.56 1rpa s ILE 332 Cb 0.20 -3.84 -0.10 0.00 0.01 0.00 0.00 42.46 38.74 1rpa s ILE 332 CO 0.49 0.14 1.13 -2.16 0.00 0.00 0.00 174.94 174.54 1rpa s PRO 333 N 1.88 4.60 -0.12 2.79 0.04 -1.26 -4.97 135.00 137.96 1rpa s PRO 333 Ca 0.23 1.87 -0.19 0.00 0.04 0.00 0.00 61.00 62.95 1rpa s PRO 333 Cb -0.15 -3.17 -0.17 0.00 0.04 0.00 0.00 34.50 31.05 1rpa s PRO 333 CO 0.09 0.15 0.55 0.37 0.04 0.00 0.00 177.00 178.20 1rpa h GLN 334 N 3.75 -0.02 -1.11 4.56 5.75 -1.95 -3.44 115.11 122.64 1rpa h GLN 334 Ca -0.47 0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.08 1rpa h GLN 334 Cb 1.21 0.00 -0.22 0.00 1.07 0.00 0.00 27.48 29.55 1rpa h GLN 334 CO 0.67 0.61 -0.31 0.34 -2.65 0.00 0.00 178.83 177.49 1rpa s ASP 335 N -5.93 -1.19 0.29 -0.69 2.15 -1.26 -5.06 116.67 104.97 1rpa s ASP 335 Ca -0.12 0.74 0.04 0.00 0.43 0.00 0.00 52.55 53.63 1rpa s ASP 335 Cb -0.02 2.02 0.68 0.00 -0.30 0.00 0.00 42.92 45.31 1rpa s ASP 335 CO 0.45 -0.27 1.75 -0.25 -0.17 0.00 0.00 175.17 176.69 1rpa h TRP 336 N 8.02 0.89 0.67 -5.34 7.01 -1.90 0.45 115.95 125.75 1rpa h TRP 336 Ca -0.21 0.04 -0.03 0.00 2.11 0.00 0.00 58.89 60.79 1rpa h TRP 336 Cb 1.16 -0.25 0.01 0.00 -2.10 0.00 0.00 29.16 27.98 1rpa h TRP 336 CO 0.12 0.15 -0.32 0.00 -2.79 0.00 0.00 178.44 175.60 1rpa h ALA 337 N 1.64 -0.89 -0.25 2.65 0.00 -1.98 0.91 119.26 121.34 1rpa h ALA 337 Ca 0.54 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 55.17 1rpa h ALA 337 Cb 0.88 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1rpa h ALA 337 CO -0.41 -0.93 -0.15 1.79 0.00 0.00 0.00 179.25 179.55 1rpa h THR 338 N -1.05 1.22 -0.23 0.00 1.35 -1.94 0.12 112.91 112.38 1rpa h THR 338 Ca -0.09 -1.01 0.01 0.00 -0.55 0.00 0.00 66.41 64.77 1rpa h THR 338 Cb 0.72 1.20 -0.02 0.00 -1.73 0.00 0.00 68.15 68.33 1rpa h THR 338 CO 0.15 0.32 0.13 -0.33 -0.25 0.00 0.00 175.52 175.54 1rpa h GLU 339 N 0.39 0.26 0.00 4.72 5.08 0.46 0.87 114.58 126.36 1rpa h GLU 339 Ca 0.07 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1rpa h GLU 339 Cb 0.49 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1rpa h GLU 339 CO 0.03 0.17 0.05 0.00 -1.00 0.00 0.00 179.01 178.26 1rpa s MET 341 N -3.07 2.79 0.00 0.00 -1.94 0.30 0.55 119.30 117.93 1rpa s MET 341 Ca -0.01 0.08 0.26 0.00 -1.71 0.00 0.00 55.69 54.32 1rpa s MET 341 Cb 0.01 -4.60 0.71 0.00 2.01 0.00 0.00 34.83 32.96 1rpa s MET 341 CO 0.05 -2.74 1.55 0.41 -0.01 0.00 0.00 175.02 174.28