#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jof s LEU 2 N 0.00 4.38 0.16 2.45 1.43 -1.26 -2.02 118.68 123.81 1jof s LEU 2 Ca 0.00 0.74 0.05 0.00 -1.03 0.00 0.00 54.13 53.89 1jof s LEU 2 Cb 0.00 -2.79 -0.04 0.00 0.03 0.00 0.00 46.19 43.39 1jof s LEU 2 CO 0.00 0.23 -0.12 -1.00 0.23 0.00 0.00 176.35 175.70 1jof s HIS 3 N -1.30 1.37 0.01 0.29 3.76 0.05 -4.97 115.29 114.50 1jof s HIS 3 Ca 0.29 -0.69 0.03 0.00 -0.15 0.00 0.00 55.06 54.54 1jof s HIS 3 Cb -0.14 -0.68 -0.01 0.00 1.11 0.00 0.00 32.58 32.85 1jof s HIS 3 CO 0.16 0.15 -0.09 -1.01 -0.85 0.00 0.00 174.74 173.10 1jof s HIS 4 N -3.10 0.77 0.00 1.40 0.09 -0.79 -0.35 115.29 113.31 1jof s HIS 4 Ca 0.17 -0.22 0.00 0.00 -0.00 0.00 0.00 55.06 55.01 1jof s HIS 4 Cb 0.01 -0.48 0.00 0.00 -0.00 0.00 0.00 32.58 32.11 1jof s HIS 4 CO 0.02 -0.02 0.00 1.28 -0.00 0.00 0.00 174.74 176.03 1jof n LEU 5 N 2.52 0.00 0.00 0.89 4.32 0.60 -1.51 117.00 123.81 1jof n LEU 5 Ca -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.84 1jof n LEU 5 Cb 0.57 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.37 1jof n LEU 5 CO 0.24 0.00 0.00 -0.38 -1.22 0.00 0.00 177.39 176.03 1jof n ILE 7 N 0.00 0.00 -3.06 -0.08 -0.00 -0.30 -0.39 119.36 115.53 1jof n ILE 7 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1jof n ILE 7 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.64 1jof n ILE 7 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1jof n GLY 8 N -0.27 4.77 3.11 7.39 0.00 -1.23 -1.45 105.19 117.51 1jof n GLY 8 Ca 0.00 -2.09 -0.08 0.00 0.00 0.00 0.00 46.02 43.85 1jof n GLY 8 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jof s THR 9 N 0.68 0.19 -0.91 2.61 -4.23 -0.63 -3.17 115.64 110.18 1jof s THR 9 Ca 0.00 -1.80 0.25 0.00 -1.18 0.00 0.00 61.69 58.96 1jof s THR 9 Cb 0.00 -1.63 0.01 0.00 1.34 0.00 0.00 72.50 72.22 1jof s THR 9 CO 0.00 -0.86 1.38 1.87 -0.54 0.00 0.00 174.62 176.47 1jof n TRP 10 N 0.06 0.12 -4.06 3.99 -0.00 -0.10 -2.91 117.44 114.54 1jof n TRP 10 Ca -0.12 0.04 -0.07 0.00 -0.00 0.00 0.00 57.50 57.34 1jof n TRP 10 Cb 0.62 -0.34 -0.10 0.00 -0.00 0.00 0.00 31.31 31.48 1jof n TRP 10 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 1jof s THR 11 N -3.04 0.20 0.71 5.87 2.01 -1.26 -4.98 115.64 115.14 1jof s THR 11 Ca 0.10 -1.62 -0.11 0.00 0.31 0.00 0.00 61.69 60.36 1jof s THR 11 Cb 0.17 -1.28 0.02 0.00 0.01 0.00 0.00 72.50 71.42 1jof s THR 11 CO 0.71 -0.90 1.07 -2.84 -0.69 0.00 0.00 174.62 171.97 1jof s PRO 12 N -3.45 2.77 0.31 4.92 0.02 -1.26 -4.37 135.00 133.93 1jof s PRO 12 Ca 0.03 1.04 -0.28 0.00 0.02 0.00 0.00 61.00 61.81 1jof s PRO 12 Cb 0.05 -1.97 -0.09 0.00 0.02 0.00 0.00 34.50 32.51 1jof s PRO 12 CO -0.08 -1.24 1.06 -1.25 -0.33 0.00 0.00 177.00 175.16 1jof s PRO 13 N -4.92 4.55 0.43 5.54 0.04 -1.26 -4.81 135.00 134.57 1jof s PRO 13 Ca 0.59 1.68 -0.24 0.00 0.04 0.00 0.00 61.00 63.07 1jof s PRO 13 Cb -0.15 -3.02 -0.08 0.00 0.04 0.00 0.00 34.50 31.29 1jof s PRO 13 CO 0.54 0.16 1.21 0.20 0.04 0.00 0.00 177.00 179.15 1jof s GLY 14 N -1.11 2.85 -0.15 0.56 0.00 -0.65 -4.88 107.32 103.94 1jof s GLY 14 Ca 0.48 1.04 -0.30 0.00 0.00 0.00 0.00 44.72 45.93 1jof s GLY 14 CO 0.36 1.55 1.00 0.00 0.00 0.00 0.00 173.10 176.00 1jof s ALA 15 N -1.42 -1.93 -0.19 3.20 0.00 -1.26 -3.13 121.76 117.03 1jof s ALA 15 Ca 0.60 1.53 -0.02 0.00 0.00 0.00 0.00 51.96 54.07 1jof s ALA 15 Cb -0.32 -0.58 -0.01 0.00 0.00 0.00 0.00 23.12 22.21 1jof s ALA 15 CO 0.40 -0.36 -0.08 0.42 0.00 0.00 0.00 175.76 176.14 1jof s ILE 16 N -1.37 3.16 -0.13 0.00 1.01 -0.10 -4.44 121.20 119.33 1jof s ILE 16 Ca -0.00 -0.58 -0.08 0.00 0.00 0.00 0.00 60.65 59.98 1jof s ILE 16 Cb -0.01 -2.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 1jof s ILE 16 CO 0.00 0.46 0.16 -0.36 0.00 0.00 0.00 174.94 175.21 1jof s PHE 17 N 1.19 3.57 -0.26 3.97 0.40 -0.53 -0.73 117.98 125.59 1jof s PHE 17 Ca 0.02 0.53 -0.04 0.00 -0.60 0.00 0.00 56.93 56.84 1jof s PHE 17 Cb -0.14 -2.02 0.01 0.00 0.51 0.00 0.00 43.02 41.38 1jof s PHE 17 CO -0.03 0.64 -0.00 0.99 0.70 0.00 0.00 175.22 177.52 1jof s THR 18 N -0.74 3.41 -0.07 0.64 2.01 0.60 -1.16 115.64 120.34 1jof s THR 18 Ca 0.14 -0.75 -0.01 0.00 0.31 0.00 0.00 61.69 61.39 1jof s THR 18 Cb -0.12 -2.69 -0.03 0.00 0.01 0.00 0.00 72.50 69.66 1jof s THR 18 CO 0.04 0.22 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.49 1jof s VAL 19 N 1.43 4.24 -0.13 3.82 1.01 0.48 -0.84 120.40 130.41 1jof s VAL 19 Ca 0.03 -0.31 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 1jof s VAL 19 Cb -0.16 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 1jof s VAL 19 CO -0.02 0.58 -0.00 -1.58 0.00 0.00 0.00 175.10 174.08 1jof s GLN 20 N -0.95 3.42 -0.14 2.72 0.74 0.56 -0.29 119.66 125.71 1jof s GLN 20 Ca 0.14 -0.44 0.02 0.00 0.05 0.00 0.00 55.36 55.13 1jof s GLN 20 Cb -0.11 -2.91 0.01 0.00 1.10 0.00 0.00 33.01 31.10 1jof s GLN 20 CO 0.03 0.45 -0.20 0.12 -0.55 0.00 0.00 175.29 175.14 1jof s PHE 21 N -0.19 2.57 -0.40 1.67 5.36 0.53 -1.80 117.98 125.71 1jof s PHE 21 Ca 0.05 -1.35 -0.16 0.00 -0.96 0.00 0.00 56.93 54.51 1jof s PHE 21 Cb -0.13 -1.77 0.01 0.00 -0.34 0.00 0.00 43.02 40.80 1jof s PHE 21 CO 0.02 -0.64 0.37 0.34 -1.46 0.00 0.00 175.22 173.85 1jof s ASP 22 N 0.98 6.16 0.00 6.13 -1.08 -0.80 -0.77 116.67 127.29 1jof s ASP 22 Ca -0.04 -0.66 0.20 0.00 -0.52 0.00 0.00 52.55 51.53 1jof s ASP 22 Cb -0.15 -2.20 1.18 0.00 -1.46 0.00 0.00 42.92 40.30 1jof s ASP 22 CO -0.05 -0.48 1.69 -0.90 0.52 0.00 0.00 175.17 175.95 1jof n ASP 23 N 5.41 0.00 -0.10 -0.34 5.68 -0.86 -0.02 116.55 126.32 1jof n ASP 23 Ca -0.09 -1.15 -0.16 0.00 -0.50 0.00 0.00 54.79 52.89 1jof n ASP 23 Cb 0.48 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.37 1jof n ASP 23 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1jof n GLU 24 N -0.85 0.46 0.07 0.11 1.02 -1.26 -4.51 120.64 115.68 1jof n GLU 24 Ca 0.15 0.13 0.12 0.00 -0.02 0.00 0.00 57.16 57.54 1jof n GLU 24 Cb 0.07 -1.33 0.08 0.00 -0.02 0.00 0.00 31.44 30.23 1jof n GLU 24 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1jof h LYS 25 N -0.23 0.00 -5.33 3.49 1.57 -1.95 -3.49 116.57 110.64 1jof h LYS 25 Ca -0.46 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.08 1jof h LYS 25 Cb 1.60 0.00 0.19 0.00 0.08 0.00 0.00 32.23 34.10 1jof h LYS 25 CO -0.14 0.00 -0.81 1.28 -0.57 0.00 0.00 179.45 179.20 1jof n LEU 26 N -2.32 -5.42 -4.25 2.94 4.77 0.97 -5.04 117.00 108.65 1jof n LEU 26 Ca 0.02 -0.67 -0.14 0.00 -0.03 0.00 0.00 56.01 55.19 1jof n LEU 26 Cb 0.48 -3.08 -0.10 0.00 -2.33 0.00 0.00 43.42 38.39 1jof n LEU 26 CO 0.38 0.11 -0.34 0.42 -1.33 0.00 0.00 177.39 176.63 1jof s THR 27 N -3.37 0.74 -0.03 -5.08 -4.23 -1.15 -4.50 115.64 98.02 1jof s THR 27 Ca 0.42 -1.99 0.03 0.00 -1.18 0.00 0.00 61.69 58.97 1jof s THR 27 Cb -0.05 -2.12 0.00 0.00 1.34 0.00 0.00 72.50 71.67 1jof s THR 27 CO 0.70 -0.48 -0.11 0.00 -0.54 0.00 0.00 174.62 174.19 1jof s LYS 29 N 0.13 0.10 -0.04 0.00 3.01 -0.75 -4.81 119.74 117.38 1jof s LYS 29 Ca -0.03 0.24 -0.30 0.00 -1.01 0.00 0.00 55.97 54.87 1jof s LYS 29 Cb -0.09 -0.05 -0.03 0.00 -1.01 0.00 0.00 37.83 36.66 1jof s LYS 29 CO 0.01 -0.08 1.07 -1.17 0.51 0.00 0.00 175.35 175.68 1jof s LEU 30 N 0.54 4.30 0.00 3.17 2.96 -1.26 -0.32 118.68 128.07 1jof s LEU 30 Ca -0.04 1.69 0.02 0.00 -0.22 0.00 0.00 54.13 55.58 1jof s LEU 30 Cb -0.06 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 43.09 1jof s LEU 30 CO -0.02 -0.43 0.64 2.30 -1.32 0.00 0.00 176.35 177.52 1jof n ILE 31 N 4.30 0.17 -3.65 6.68 -5.35 -0.02 -4.93 119.36 116.57 1jof n ILE 31 Ca 0.08 -0.59 -0.02 0.00 -0.27 0.00 0.00 62.75 61.96 1jof n ILE 31 Cb 0.48 0.95 -0.07 0.00 -1.74 0.00 0.00 39.64 39.27 1jof n ILE 31 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1jof s LYS 32 N -0.31 0.26 -0.37 6.28 2.47 -1.13 -4.96 119.74 121.98 1jof s LYS 32 Ca 0.03 0.40 0.04 0.00 -1.56 0.00 0.00 55.97 54.88 1jof s LYS 32 Cb 0.02 0.07 0.10 0.00 -1.46 0.00 0.00 37.83 36.57 1jof s LYS 32 CO 0.02 -0.05 0.08 0.50 0.16 0.00 0.00 175.35 176.07 1jof s ARG 33 N 0.93 1.57 -0.33 4.03 3.52 -1.26 -0.29 118.95 127.12 1jof s ARG 33 Ca -0.05 -1.98 -0.22 0.00 -0.13 0.00 0.00 55.73 53.35 1jof s ARG 33 Cb -0.04 -3.24 0.00 0.00 -1.56 0.00 0.00 34.95 30.11 1jof s ARG 33 CO -0.12 -0.97 0.73 0.99 -0.81 0.00 0.00 175.30 175.12 1jof s THR 34 N 0.75 4.83 0.34 4.11 2.01 0.09 -4.93 115.64 122.84 1jof s THR 34 Ca 0.12 0.96 -0.28 0.00 0.31 0.00 0.00 61.69 62.80 1jof s THR 34 Cb -0.20 -4.12 -0.10 0.00 0.01 0.00 0.00 72.50 68.10 1jof s THR 34 CO -0.07 -0.27 1.22 -0.70 -0.69 0.00 0.00 174.62 174.11 1jof s GLU 35 N 2.88 4.32 0.16 4.92 2.12 -1.26 -0.93 118.70 130.90 1jof s GLU 35 Ca 0.29 2.02 -0.01 0.00 0.36 0.00 0.00 54.97 57.64 1jof s GLU 35 Cb -0.14 -2.98 -0.04 0.00 0.26 0.00 0.00 34.13 31.23 1jof s GLU 35 CO 0.14 -0.15 0.07 0.96 -0.54 0.00 0.00 175.26 175.73 1jof s ILE 36 N -1.22 0.18 -0.30 -3.70 -4.36 -1.18 -4.90 121.20 105.71 1jof s ILE 36 Ca 0.50 -1.94 -0.27 0.00 -0.26 0.00 0.00 60.65 58.68 1jof s ILE 36 Cb -0.36 -2.18 -0.12 0.00 1.25 0.00 0.00 42.46 41.06 1jof s ILE 36 CO 0.46 -0.35 1.17 -2.65 0.24 0.00 0.00 174.94 173.82 1jof n PRO 37 N -0.17 0.00 -0.38 0.37 -0.02 -1.26 -4.42 135.00 129.11 1jof n PRO 37 Ca -0.04 0.00 0.34 0.00 -2.02 0.00 0.00 63.50 61.78 1jof n PRO 37 Cb 0.64 -0.90 0.61 0.00 -0.02 0.00 0.00 33.50 33.83 1jof n PRO 37 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 1jof h GLN 38 N 4.59 0.05 -0.52 -0.52 -0.00 -1.96 0.17 115.11 116.93 1jof h GLN 38 Ca -0.13 -0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.49 1jof h GLN 38 Cb 0.84 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.48 28.30 1jof h GLN 38 CO 0.63 0.03 0.03 -0.40 -0.00 0.00 0.00 178.83 179.12 1jof n ASP 39 N -5.00 5.19 -2.50 0.06 5.75 -1.26 -1.64 116.55 117.15 1jof n ASP 39 Ca 0.38 -3.00 -0.24 0.00 -0.01 0.00 0.00 54.79 51.92 1jof n ASP 39 Cb 1.36 -0.66 0.01 0.00 -1.03 0.00 0.00 41.12 40.79 1jof n ASP 39 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1jof n GLU 40 N 0.25 3.03 -1.83 0.11 1.02 0.60 -4.72 120.64 119.10 1jof n GLU 40 Ca 0.28 -4.28 -0.40 0.00 -0.02 0.00 0.00 57.16 52.73 1jof n GLU 40 Cb 1.15 -2.07 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 1jof n GLU 40 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1jof s PRO 41 N -3.47 3.98 -0.49 3.49 0.04 -1.26 -4.76 135.00 132.52 1jof s PRO 41 Ca 0.44 2.48 -0.18 0.00 0.04 0.00 0.00 61.00 63.78 1jof s PRO 41 Cb 0.41 -2.86 0.06 0.00 0.04 0.00 0.00 34.50 32.15 1jof s PRO 41 CO -0.14 -0.60 0.56 0.42 0.04 0.00 0.00 177.00 177.27 1jof s ILE 42 N -1.16 4.98 -1.24 0.56 1.01 -1.24 -4.26 121.20 119.85 1jof s ILE 42 Ca 0.55 -0.62 0.29 0.00 0.00 0.00 0.00 60.65 60.87 1jof s ILE 42 Cb -0.45 -4.24 0.32 0.00 0.01 0.00 0.00 42.46 38.10 1jof s ILE 42 CO 0.60 -0.73 1.87 -1.54 0.00 0.00 0.00 174.94 175.14 1jof n SER 43 N 5.90 0.17 -3.48 3.58 3.41 -0.67 -1.60 113.62 120.93 1jof n SER 43 Ca -0.08 0.01 -0.14 0.00 -0.26 0.00 0.00 58.87 58.40 1jof n SER 43 Cb 0.45 -0.25 -0.04 0.00 -0.26 0.00 0.00 64.21 64.11 1jof n SER 43 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1jof s TRP 44 N -2.78 -0.58 0.00 7.33 -0.11 -1.25 -4.54 118.94 117.01 1jof s TRP 44 Ca 0.20 0.70 0.00 0.00 1.22 0.00 0.00 56.10 58.22 1jof s TRP 44 Cb 0.19 0.49 0.00 0.00 -1.50 0.00 0.00 33.47 32.65 1jof s TRP 44 CO 0.53 -0.70 0.00 -2.37 -4.62 0.00 0.00 176.95 169.78 1jof n THR 46 N 0.26 0.00 -3.34 5.86 5.66 -0.75 -1.05 114.28 120.92 1jof n THR 46 Ca -0.17 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.57 1jof n THR 46 Cb 0.61 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.37 1jof n THR 46 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 1jof s PHE 47 N -2.00 3.50 0.15 1.09 0.40 -1.26 -1.09 117.98 118.77 1jof s PHE 47 Ca 0.00 0.46 -0.02 0.00 -0.60 0.00 0.00 56.93 56.77 1jof s PHE 47 Cb 0.00 -1.98 0.03 0.00 0.51 0.00 0.00 43.02 41.59 1jof s PHE 47 CO 0.00 0.13 0.21 -0.40 0.70 0.00 0.00 175.22 175.86 1jof n ASP 48 N -1.47 0.08 0.19 1.36 5.75 -0.93 -4.73 116.55 116.81 1jof n ASP 48 Ca -0.04 -1.12 0.14 0.00 -0.01 0.00 0.00 54.79 53.77 1jof n ASP 48 Cb 0.55 -0.15 0.63 0.00 -1.03 0.00 0.00 41.12 41.12 1jof n ASP 48 CO 0.00 0.00 0.00 1.12 -0.11 0.00 0.00 177.20 178.21 1jof h HIS 49 N -0.91 0.00 0.00 2.11 2.07 -1.88 -2.52 115.15 114.02 1jof h HIS 49 Ca -0.07 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.45 1jof h HIS 49 Cb 0.20 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.18 1jof h HIS 49 CO 0.00 0.00 -0.01 0.39 -3.07 0.00 0.00 177.93 175.24 1jof n GLU 50 N -2.47 2.26 -3.20 5.12 1.02 -1.26 -4.97 120.64 117.14 1jof n GLU 50 Ca 0.00 -1.72 -0.23 0.00 -0.02 0.00 0.00 57.16 55.20 1jof n GLU 50 Cb 0.16 -1.09 0.02 0.00 -0.02 0.00 0.00 31.44 30.51 1jof n GLU 50 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1jof n ARG 51 N -0.71 -4.30 -0.00 3.49 1.74 -0.95 -4.82 116.66 111.11 1jof n ARG 51 Ca 0.04 0.71 0.10 0.00 -0.77 0.00 0.00 57.85 57.93 1jof n ARG 51 Cb 0.38 -5.50 -0.13 0.00 -1.02 0.00 0.00 32.46 26.19 1jof n ARG 51 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1jof n LYS 52 N -3.93 0.26 -4.10 5.56 5.02 -1.26 -4.83 118.16 114.89 1jof n LYS 52 Ca -0.06 -0.05 -0.13 0.00 -2.02 0.00 0.00 58.31 56.05 1jof n LYS 52 Cb 0.58 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.99 1jof n LYS 52 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1jof s ASN 53 N -3.33 0.99 -0.10 4.39 0.01 -1.26 0.55 114.94 116.19 1jof s ASN 53 Ca 0.04 -0.66 0.03 0.00 -0.71 0.00 0.00 52.86 51.55 1jof s ASN 53 Cb 0.15 0.04 0.01 0.00 0.41 0.00 0.00 41.25 41.86 1jof s ASN 53 CO 0.86 -0.26 -0.19 -0.63 -1.51 0.00 0.00 177.10 175.38 1jof s ILE 54 N -1.91 1.73 -0.04 0.60 1.01 0.18 -2.18 121.20 120.59 1jof s ILE 54 Ca -0.04 -0.81 0.01 0.00 0.00 0.00 0.00 60.65 59.81 1jof s ILE 54 Cb -0.06 -1.53 -0.03 0.00 0.01 0.00 0.00 42.46 40.84 1jof s ILE 54 CO -0.01 0.49 -0.05 -0.31 0.00 0.00 0.00 174.94 175.06 1jof s TYR 55 N 0.65 2.96 0.02 3.97 4.12 -0.25 -0.04 117.35 128.79 1jof s TYR 55 Ca -0.13 0.03 0.01 0.00 0.02 0.00 0.00 57.07 57.00 1jof s TYR 55 Cb -0.16 -1.69 -0.02 0.00 -1.52 0.00 0.00 41.96 38.57 1jof s TYR 55 CO 0.03 0.37 -0.05 0.20 0.02 0.00 0.00 175.55 176.13 1jof s GLY 56 N -1.07 0.31 -0.58 0.71 0.00 0.05 -1.80 107.32 104.94 1jof s GLY 56 Ca 0.15 -0.56 -0.23 0.00 0.00 0.00 0.00 44.72 44.07 1jof s GLY 56 CO 0.04 -0.61 0.92 0.00 0.00 0.00 0.00 173.10 173.45 1jof s ALA 57 N -1.18 3.16 0.00 3.20 0.00 -0.21 -1.98 121.76 124.74 1jof s ALA 57 Ca -0.11 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 50.35 1jof s ALA 57 Cb -0.08 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.29 1jof s ALA 57 CO -0.00 -2.49 0.00 0.00 0.00 0.00 0.00 175.76 173.27 1jof n ALA 58 N 7.43 2.00 0.00 0.00 0.00 -1.26 -1.67 120.51 127.01 1jof n ALA 58 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1jof n ALA 58 Cb 0.47 0.42 0.00 0.00 0.00 0.00 0.00 19.45 20.33 1jof n ALA 58 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jof n LYS 60 N -2.34 0.00 -4.28 0.00 4.76 -1.26 -4.63 118.16 110.41 1jof n LYS 60 Ca 0.00 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.29 1jof n LYS 60 Cb 0.50 -0.18 -0.10 0.00 -1.84 0.00 0.00 35.03 33.41 1jof n LYS 60 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1jof s LYS 61 N -0.06 1.15 -0.34 1.97 -0.14 -1.26 -3.87 119.74 117.19 1jof s LYS 61 Ca 0.00 -1.52 -0.01 0.00 -1.36 0.00 0.00 55.97 53.08 1jof s LYS 61 Cb 0.00 -0.67 0.08 0.00 -1.68 0.00 0.00 37.83 35.55 1jof s LYS 61 CO 0.00 0.05 0.07 -1.58 -0.76 0.00 0.00 175.35 173.13 1jof s TRP 62 N -3.31 3.43 0.17 3.18 0.52 0.56 -4.62 118.94 118.88 1jof s TRP 62 Ca 0.20 -2.21 0.03 0.00 0.02 0.00 0.00 56.10 54.14 1jof s TRP 62 Cb 0.03 -2.58 -0.03 0.00 -1.15 0.00 0.00 33.47 29.74 1jof s TRP 62 CO 0.03 -0.88 0.30 -1.54 0.02 0.00 0.00 176.95 174.88 1jof s SER 63 N 1.40 6.34 -0.06 2.95 1.04 -0.84 -0.78 113.70 123.75 1jof s SER 63 Ca 0.01 0.16 0.02 0.00 0.48 0.00 0.00 55.95 56.63 1jof s SER 63 Cb -0.21 -1.90 0.01 0.00 0.10 0.00 0.00 66.02 64.02 1jof s SER 63 CO -0.03 0.02 -0.12 -0.55 0.98 0.00 0.00 173.24 173.55 1jof s SER 64 N -3.39 1.66 0.01 7.02 0.15 0.65 -0.77 113.70 119.04 1jof s SER 64 Ca 0.35 -0.27 0.04 0.00 0.70 0.00 0.00 55.95 56.76 1jof s SER 64 Cb -0.11 -0.71 -0.01 0.00 -1.71 0.00 0.00 66.02 63.49 1jof s SER 64 CO 0.29 0.04 -0.11 -0.36 1.20 0.00 0.00 173.24 174.29 1jof s PHE 65 N 0.57 1.00 -0.07 3.44 0.40 0.94 -1.05 117.98 123.21 1jof s PHE 65 Ca -0.12 -0.25 -0.14 0.00 -0.60 0.00 0.00 56.93 55.82 1jof s PHE 65 Cb -0.14 -0.63 -0.05 0.00 0.51 0.00 0.00 43.02 42.71 1jof s PHE 65 CO 0.03 -0.01 0.35 0.00 0.70 0.00 0.00 175.22 176.29 1jof s ALA 66 N -0.51 3.68 -0.24 5.36 0.00 -0.25 0.47 121.76 130.27 1jof s ALA 66 Ca 0.02 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.65 1jof s ALA 66 Cb -0.06 -2.35 0.04 0.00 0.00 0.00 0.00 23.12 20.75 1jof s ALA 66 CO 0.00 0.37 -0.10 0.08 0.00 0.00 0.00 175.76 176.11 1jof s VAL 67 N -0.55 2.53 -0.09 0.00 1.01 0.19 -0.67 120.40 122.81 1jof s VAL 67 Ca 0.21 -1.21 0.02 0.00 0.00 0.00 0.00 61.98 61.00 1jof s VAL 67 Cb -0.15 -2.32 -0.25 0.00 0.00 0.00 0.00 36.38 33.67 1jof s VAL 67 CO 0.09 0.18 0.46 2.29 0.00 0.00 0.00 175.10 178.12 1jof n LYS 68 N 4.59 0.71 -3.87 2.72 2.85 -0.09 -4.68 118.16 120.40 1jof n LYS 68 Ca -0.16 0.27 -0.08 0.00 -1.05 0.00 0.00 58.31 57.28 1jof n LYS 68 Cb 0.46 -1.73 -0.01 0.00 -0.65 0.00 0.00 35.03 33.10 1jof n LYS 68 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1jof s SER 69 N -6.61 -0.10 0.52 -5.58 1.04 -1.22 -4.98 113.70 96.77 1jof s SER 69 Ca -0.15 -0.86 0.29 0.00 0.48 0.00 0.00 55.95 55.70 1jof s SER 69 Cb 0.07 0.76 1.42 0.00 0.10 0.00 0.00 66.02 68.37 1jof s SER 69 CO 0.79 -1.44 1.90 -0.65 0.98 0.00 0.00 173.24 174.82 1jof h PRO 70 N 2.03 0.05 -0.02 4.02 0.11 -1.99 -1.53 132.00 134.67 1jof h PRO 70 Ca -0.25 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1jof h PRO 70 Cb 1.25 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1jof h PRO 70 CO 0.31 0.03 -0.12 0.25 -0.21 0.00 0.00 178.00 178.26 1jof n THR 71 N -4.32 0.00 -3.85 -1.15 -2.24 -1.26 -4.80 114.28 96.67 1jof n THR 71 Ca 0.17 -0.44 -0.33 0.00 -2.27 0.00 0.00 64.05 61.18 1jof n THR 71 Cb 0.87 1.32 -0.12 0.00 -2.10 0.00 0.00 70.33 70.30 1jof n THR 71 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1jof s GLU 72 N -1.69 2.19 -0.19 -0.78 2.02 -0.58 -5.01 118.70 114.66 1jof s GLU 72 Ca 0.19 -2.48 0.01 0.00 0.02 0.00 0.00 54.97 52.71 1jof s GLU 72 Cb 0.15 -3.50 0.03 0.00 0.10 0.00 0.00 34.13 30.91 1jof s GLU 72 CO 0.30 -1.12 -0.14 0.42 0.02 0.00 0.00 175.26 174.74 1jof s ILE 73 N -0.03 1.84 -0.18 -1.63 1.01 -1.26 -0.91 121.20 120.05 1jof s ILE 73 Ca 0.16 -1.01 -0.01 0.00 0.00 0.00 0.00 60.65 59.79 1jof s ILE 73 Cb -0.23 -1.80 -0.00 0.00 0.01 0.00 0.00 42.46 40.44 1jof s ILE 73 CO -0.02 0.32 -0.12 -0.69 0.00 0.00 0.00 174.94 174.43 1jof s VAL 74 N 1.34 2.89 0.05 2.92 1.01 0.15 -4.94 120.40 123.82 1jof s VAL 74 Ca 0.01 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.00 1jof s VAL 74 Cb -0.15 -2.26 -0.09 0.00 0.00 0.00 0.00 36.38 33.88 1jof s VAL 74 CO -0.10 0.49 1.95 1.57 0.00 0.00 0.00 175.10 179.01 1jof n HIS 75 N 4.30 2.53 0.11 5.22 -0.00 -1.26 -1.09 115.22 125.03 1jof n HIS 75 Ca -0.19 -0.32 0.03 0.00 0.46 0.00 0.00 57.72 57.70 1jof n HIS 75 Cb 0.51 -2.79 -0.04 0.00 -0.12 0.00 0.00 29.99 27.56 1jof n HIS 75 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1jof n GLU 76 N 7.11 2.44 -3.63 1.57 1.02 -0.22 -4.93 120.64 124.00 1jof n GLU 76 Ca 0.20 -0.03 -0.03 0.00 -0.02 0.00 0.00 57.16 57.28 1jof n GLU 76 Cb 0.40 -0.96 -0.03 0.00 -0.02 0.00 0.00 31.44 30.83 1jof n GLU 76 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jof s ALA 77 N -1.99 -2.15 -0.24 0.62 0.00 -1.11 -4.97 121.76 111.90 1jof s ALA 77 Ca -0.00 1.85 -0.02 0.00 0.00 0.00 0.00 51.96 53.78 1jof s ALA 77 Cb 0.04 -0.67 0.12 0.00 0.00 0.00 0.00 23.12 22.62 1jof s ALA 77 CO 0.23 -0.47 0.32 -1.12 0.00 0.00 0.00 175.76 174.72 1jof s SER 78 N -1.75 0.88 0.13 0.00 0.01 -1.26 -0.25 113.70 111.46 1jof s SER 78 Ca 0.10 -0.15 -0.02 0.00 1.31 0.00 0.00 55.95 57.18 1jof s SER 78 Cb -0.01 0.77 -0.05 0.00 0.21 0.00 0.00 66.02 66.95 1jof s SER 78 CO -0.04 -0.33 0.33 -1.00 0.41 0.00 0.00 173.24 172.61 1jof s HIS 79 N 2.44 3.49 0.81 2.43 3.76 0.04 -4.83 115.29 123.42 1jof s HIS 79 Ca 0.10 0.42 -0.12 0.00 -0.15 0.00 0.00 55.06 55.31 1jof s HIS 79 Cb -0.15 -1.90 0.08 0.00 1.11 0.00 0.00 32.58 31.72 1jof s HIS 79 CO -0.19 0.47 1.14 -1.25 -0.85 0.00 0.00 174.74 174.06 1jof s PRO 80 N -2.76 2.01 0.03 8.40 0.04 -1.26 -0.32 135.00 141.13 1jof s PRO 80 Ca 0.39 0.29 -0.30 0.00 0.04 0.00 0.00 61.00 61.41 1jof s PRO 80 Cb -0.12 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 1jof s PRO 80 CO 0.26 -1.60 1.10 0.42 0.04 0.00 0.00 177.00 177.23 1jof s ILE 81 N -3.42 4.41 0.50 0.56 1.01 -1.25 -4.76 121.20 118.25 1jof s ILE 81 Ca 0.61 1.73 0.04 0.00 0.00 0.00 0.00 60.65 63.03 1jof s ILE 81 Cb -0.12 -4.11 0.02 0.00 0.01 0.00 0.00 42.46 38.27 1jof s ILE 81 CO 0.51 0.12 0.70 -0.83 0.00 0.00 0.00 174.94 175.44 1jof s GLY 82 N 1.06 1.87 0.00 6.18 0.00 -1.26 -4.58 107.32 110.59 1jof s GLY 82 Ca 0.56 -1.45 0.00 0.00 0.00 0.00 0.00 44.72 43.82 1jof s GLY 82 CO 0.28 -1.21 0.00 0.61 0.00 0.00 0.00 173.10 172.78 1jof n GLY 83 N -2.16 1.04 3.76 0.20 0.00 -1.26 -4.89 105.19 101.89 1jof n GLY 83 Ca 0.08 -1.03 -0.40 0.00 0.00 0.00 0.00 46.02 44.67 1jof n GLY 83 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1jof s HIS 84 N 0.00 3.43 0.18 1.61 5.65 -1.26 -4.94 115.29 119.95 1jof s HIS 84 Ca 0.00 1.60 -0.16 0.00 0.25 0.00 0.00 55.06 56.75 1jof s HIS 84 Cb 0.00 -3.40 0.13 0.00 -1.18 0.00 0.00 32.58 28.13 1jof s HIS 84 CO 0.00 -0.95 1.67 -1.35 -0.65 0.00 0.00 174.74 173.46 1jof h PRO 85 N 3.84 0.04 0.00 2.88 0.11 -1.94 -2.22 132.00 134.71 1jof h PRO 85 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1jof h PRO 85 Cb 1.22 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1jof h PRO 85 CO 0.67 0.03 0.00 0.54 -0.21 0.00 0.00 178.00 179.03 1jof n ARG 86 N -5.28 0.41 -0.31 1.05 1.74 -1.26 -3.71 116.66 109.30 1jof n ARG 86 Ca 0.04 0.06 0.15 0.00 -0.77 0.00 0.00 57.85 57.33 1jof n ARG 86 Cb 0.24 -1.50 0.39 0.00 -1.02 0.00 0.00 32.46 30.57 1jof n ARG 86 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jof h ALA 87 N 3.08 1.88 0.00 7.54 0.00 -1.64 -2.24 119.26 127.88 1jof h ALA 87 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1jof h ALA 87 Cb 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1jof h ALA 87 CO 0.00 -0.21 -0.61 0.09 0.00 0.00 0.00 179.25 178.52 1jof n ASN 88 N -4.65 0.70 -4.61 0.00 3.02 -1.24 -4.58 115.26 103.90 1jof n ASN 88 Ca 0.21 0.12 -0.45 0.00 -0.03 0.00 0.00 54.58 54.44 1jof n ASN 88 Cb 0.61 0.14 -0.02 0.00 -0.61 0.00 0.00 39.78 39.91 1jof n ASN 88 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1jof n ASP 89 N -2.10 1.62 0.01 6.41 8.00 -0.84 -4.80 116.55 124.84 1jof n ASP 89 Ca 0.03 1.18 0.09 0.00 0.71 0.00 0.00 54.79 56.80 1jof n ASP 89 Cb 0.44 -1.32 0.38 0.00 -0.02 0.00 0.00 41.12 40.60 1jof n ASP 89 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jof n ALA 90 N 0.54 1.78 0.85 2.24 0.00 -1.26 -2.76 120.51 121.90 1jof n ALA 90 Ca 0.10 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.61 1jof n ALA 90 Cb 0.32 -1.29 0.28 0.00 0.00 0.00 0.00 19.45 18.76 1jof n ALA 90 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1jof n ASP 91 N -1.58 2.57 -4.63 0.00 5.68 -1.26 -4.92 116.55 112.41 1jof n ASP 91 Ca 0.04 -1.85 -0.31 0.00 -0.50 0.00 0.00 54.79 52.17 1jof n ASP 91 Cb 0.21 -0.14 -0.09 0.00 -1.14 0.00 0.00 41.12 39.96 1jof n ASP 91 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1jof s THR 92 N -1.72 3.72 -2.00 2.12 -4.23 -1.11 -5.03 115.64 107.39 1jof s THR 92 Ca 0.35 -1.02 0.20 0.00 -1.18 0.00 0.00 61.69 60.04 1jof s THR 92 Cb 0.20 -2.72 0.57 0.00 1.34 0.00 0.00 72.50 71.89 1jof s THR 92 CO 0.30 0.19 1.72 -0.46 -0.54 0.00 0.00 174.62 175.82 1jof n ASN 93 N 0.87 0.00 -4.64 3.99 0.23 -1.26 -4.90 115.26 109.55 1jof n ASN 93 Ca -0.13 -1.21 -0.46 0.00 -0.53 0.00 0.00 54.58 52.26 1jof n ASN 93 Cb 0.52 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.20 1jof n ASN 93 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 1jof n THR 94 N -0.84 1.16 -3.84 5.53 -1.04 -1.26 -4.73 114.28 109.26 1jof n THR 94 Ca 0.15 -0.29 -0.12 0.00 -2.04 0.00 0.00 64.05 61.75 1jof n THR 94 Cb 0.07 -1.26 -0.13 0.00 -1.82 0.00 0.00 70.33 67.19 1jof n THR 94 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1jof s ARG 95 N -0.68 0.10 -0.15 -2.82 3.52 -0.89 -4.78 118.95 113.25 1jof s ARG 95 Ca 0.67 0.12 -0.29 0.00 -0.13 0.00 0.00 55.73 56.10 1jof s ARG 95 Cb -0.70 0.04 -0.03 0.00 -1.56 0.00 0.00 34.95 32.70 1jof s ARG 95 CO 0.53 -0.02 1.49 0.00 -0.81 0.00 0.00 175.30 176.49 1jof s ALA 96 N 0.08 3.53 -0.07 6.12 0.00 -1.26 -0.13 121.76 130.03 1jof s ALA 96 Ca -0.00 0.60 0.05 0.00 0.00 0.00 0.00 51.96 52.61 1jof s ALA 96 Cb -0.01 -3.73 -0.07 0.00 0.00 0.00 0.00 23.12 19.31 1jof s ALA 96 CO -0.00 -1.48 0.01 1.51 0.00 0.00 0.00 175.76 175.79 1jof n ILE 97 N 5.72 0.44 -3.89 0.00 0.13 -0.73 -4.28 119.36 116.75 1jof n ILE 97 Ca 0.16 -0.25 -0.10 0.00 -1.10 0.00 0.00 62.75 61.46 1jof n ILE 97 Cb 0.44 -0.82 -0.09 0.00 -0.84 0.00 0.00 39.64 38.33 1jof n ILE 97 CO 0.00 0.00 0.00 0.12 2.80 0.00 0.00 176.55 179.47 1jof s PHE 98 N -2.15 0.12 -0.08 9.51 5.36 -1.15 -4.70 117.98 124.89 1jof s PHE 98 Ca -0.04 -0.37 -0.08 0.00 -0.96 0.00 0.00 56.93 55.48 1jof s PHE 98 Cb 0.02 -0.09 0.02 0.00 -0.34 0.00 0.00 43.02 42.64 1jof s PHE 98 CO 0.25 -0.38 0.23 -1.17 -1.46 0.00 0.00 175.22 172.69 1jof s LEU 99 N -2.02 1.13 -0.04 6.12 2.96 -1.26 -1.11 118.68 124.46 1jof s LEU 99 Ca -0.06 0.44 0.00 0.00 -0.22 0.00 0.00 54.13 54.29 1jof s LEU 99 Cb -0.02 0.80 0.03 0.00 0.50 0.00 0.00 46.19 47.50 1jof s LEU 99 CO -0.04 -0.10 -0.01 -0.22 -1.32 0.00 0.00 176.35 174.67 1jof s LEU 100 N 0.04 1.09 -0.29 -0.68 2.96 0.52 -4.88 118.68 117.44 1jof s LEU 100 Ca -0.01 -0.05 -0.08 0.00 -0.22 0.00 0.00 54.13 53.78 1jof s LEU 100 Cb -0.02 -0.30 0.00 0.00 0.50 0.00 0.00 46.19 46.38 1jof s LEU 100 CO 0.00 -0.11 0.09 0.00 -1.32 0.00 0.00 176.35 175.02 1jof s ALA 101 N 1.16 3.13 0.48 5.97 0.00 -1.26 -0.41 121.76 130.83 1jof s ALA 101 Ca -0.08 -1.39 -0.23 0.00 0.00 0.00 0.00 51.96 50.26 1jof s ALA 101 Cb -0.13 -2.19 -0.08 0.00 0.00 0.00 0.00 23.12 20.72 1jof s ALA 101 CO -0.02 -0.85 1.28 0.00 0.00 0.00 0.00 175.76 176.17 1jof n ALA 102 N 4.90 1.35 0.86 0.00 0.00 -0.57 -4.82 120.51 122.22 1jof n ALA 102 Ca -0.15 0.19 0.10 0.00 0.00 0.00 0.00 53.44 53.58 1jof n ALA 102 Cb 0.49 -2.29 0.02 0.00 0.00 0.00 0.00 19.45 17.66 1jof n ALA 102 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jof n LYS 103 N -0.43 1.55 -4.35 0.00 5.02 -1.26 -4.48 118.16 114.21 1jof n LYS 103 Ca 0.08 -1.12 -0.27 0.00 -2.02 0.00 0.00 58.31 54.99 1jof n LYS 103 Cb 0.42 -1.38 -0.10 0.00 -0.02 0.00 0.00 35.03 33.95 1jof n LYS 103 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1jof s GLN 104 N -2.07 1.84 0.43 1.97 -1.52 -1.26 -4.92 119.66 114.14 1jof s GLN 104 Ca 0.18 -1.39 -0.23 0.00 -1.95 0.00 0.00 55.36 51.96 1jof s GLN 104 Cb 0.16 -2.02 -0.11 0.00 -0.22 0.00 0.00 33.01 30.82 1jof s GLN 104 CO 0.43 0.41 0.88 -2.30 -0.25 0.00 0.00 175.29 174.46 1jof n PRO 105 N 0.07 1.09 -0.16 2.91 -0.02 -1.26 -0.91 135.00 136.72 1jof n PRO 105 Ca -0.11 0.39 0.01 0.00 -2.02 0.00 0.00 63.50 61.78 1jof n PRO 105 Cb 0.56 -1.90 0.08 0.00 -0.02 0.00 0.00 33.50 32.22 1jof n PRO 105 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1jof n PRO 106 N 0.18 1.70 -3.23 0.52 -0.04 -1.26 -4.94 135.00 127.93 1jof n PRO 106 Ca 0.10 -0.60 -0.23 0.00 -0.04 0.00 0.00 63.50 62.73 1jof n PRO 106 Cb 0.40 -1.57 0.04 0.00 -0.04 0.00 0.00 33.50 32.33 1jof n PRO 106 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1jof n TYR 107 N 0.09 -2.22 -1.27 0.54 4.02 -0.09 -4.63 117.16 113.60 1jof n TYR 107 Ca 0.05 0.67 -0.30 0.00 -0.01 0.00 0.00 57.90 58.31 1jof n TYR 107 Cb 0.39 -4.55 0.13 0.00 -0.02 0.00 0.00 39.34 35.29 1jof n TYR 107 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1jof s ALA 108 N -3.21 1.71 -0.11 -0.72 0.00 -1.26 -4.59 121.76 113.57 1jof s ALA 108 Ca 0.40 -0.08 0.02 0.00 0.00 0.00 0.00 51.96 52.30 1jof s ALA 108 Cb -0.18 -3.18 -0.01 0.00 0.00 0.00 0.00 23.12 19.75 1jof s ALA 108 CO 0.50 -2.21 -0.18 0.08 0.00 0.00 0.00 175.76 173.95 1jof s VAL 109 N -2.97 2.64 -0.21 0.00 1.01 -0.21 -1.51 120.40 119.14 1jof s VAL 109 Ca 0.63 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.74 1jof s VAL 109 Cb -0.17 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 1jof s VAL 109 CO 0.56 0.54 -0.01 -0.31 0.00 0.00 0.00 175.10 175.89 1jof s TYR 110 N 0.23 3.01 0.12 5.22 1.51 0.45 -0.55 117.35 127.34 1jof s TYR 110 Ca -0.12 -0.63 0.10 0.00 -1.01 0.00 0.00 57.07 55.41 1jof s TYR 110 Cb -0.16 -2.11 -0.04 0.00 -0.11 0.00 0.00 41.96 39.54 1jof s TYR 110 CO 0.06 -0.37 -0.23 0.00 -1.11 0.00 0.00 175.55 173.90 1jof s ALA 111 N 1.26 2.10 -0.17 3.71 0.00 0.12 -0.35 121.76 128.41 1jof s ALA 111 Ca 0.03 -1.38 0.01 0.00 0.00 0.00 0.00 51.96 50.62 1jof s ALA 111 Cb -0.15 -0.30 0.03 0.00 0.00 0.00 0.00 23.12 22.70 1jof s ALA 111 CO 0.00 0.43 -0.15 -0.80 0.00 0.00 0.00 175.76 175.24 1jof s ASN 112 N -2.08 3.03 0.79 0.00 0.01 -0.26 -0.78 114.94 115.64 1jof s ASN 112 Ca 0.11 -0.65 -0.12 0.00 -0.71 0.00 0.00 52.86 51.49 1jof s ASN 112 Cb -0.10 -1.29 0.06 0.00 0.41 0.00 0.00 41.25 40.34 1jof s ASN 112 CO 0.05 -0.07 1.14 -2.16 -1.51 0.00 0.00 177.10 174.56 1jof s PRO 113 N 1.40 2.16 0.19 -0.60 0.04 -1.26 -1.77 135.00 135.17 1jof s PRO 113 Ca 0.03 0.28 -0.04 0.00 0.04 0.00 0.00 61.00 61.31 1jof s PRO 113 Cb -0.14 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 1jof s PRO 113 CO -0.11 -1.49 0.19 0.12 0.04 0.00 0.00 177.00 175.76 1jof s PHE 114 N -3.45 0.91 0.00 0.56 5.36 0.81 -4.43 117.98 117.74 1jof s PHE 114 Ca 0.61 -1.19 0.00 0.00 -0.96 0.00 0.00 56.93 55.39 1jof s PHE 114 Cb -0.12 -0.37 0.00 0.00 -0.34 0.00 0.00 43.02 42.19 1jof s PHE 114 CO 0.51 -0.69 0.00 0.66 -1.46 0.00 0.00 175.22 174.24 1jof n TYR 115 N -0.26 0.00 -1.58 10.12 4.02 -1.26 -2.09 117.16 126.12 1jof n TYR 115 Ca -0.01 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.57 1jof n TYR 115 Cb 0.65 0.01 0.05 0.00 -0.02 0.00 0.00 39.34 40.03 1jof n TYR 115 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1jof s LYS 116 N 0.00 2.87 -1.44 -0.72 1.02 -1.26 -3.86 119.74 116.35 1jof s LYS 116 Ca 0.00 1.02 -0.03 0.00 0.02 0.00 0.00 55.97 56.98 1jof s LYS 116 Cb 0.00 -1.98 0.03 0.00 -0.52 0.00 0.00 37.83 35.36 1jof s LYS 116 CO 0.00 -1.15 0.53 1.19 -0.92 0.00 0.00 175.35 175.00 1jof n PHE 117 N -3.05 -1.73 -1.11 3.18 3.01 -1.26 -4.29 117.46 112.20 1jof n PHE 117 Ca 0.08 0.78 0.09 0.00 1.01 0.00 0.00 57.45 59.40 1jof n PHE 117 Cb 0.53 -3.73 0.12 0.00 -0.01 0.00 0.00 39.48 36.39 1jof n PHE 117 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1jof n ALA 118 N -4.40 2.22 0.39 4.37 0.00 -1.25 -4.53 120.51 117.30 1jof n ALA 118 Ca -0.24 -2.39 0.00 0.00 0.00 0.00 0.00 53.44 50.81 1jof n ALA 118 Cb 0.65 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.73 1jof n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jof n GLY 119 N -1.25 0.50 3.11 0.00 0.00 -1.26 -4.60 105.19 101.69 1jof n GLY 119 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.08 1jof n GLY 119 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jof s TYR 120 N -1.06 0.64 0.23 1.61 1.51 -1.26 -1.16 117.35 117.87 1jof s TYR 120 Ca 0.00 -1.07 0.07 0.00 -1.01 0.00 0.00 57.07 55.06 1jof s TYR 120 Cb 0.00 -0.43 -0.04 0.00 -0.11 0.00 0.00 41.96 41.38 1jof s TYR 120 CO 0.00 -0.36 0.15 0.20 -1.11 0.00 0.00 175.55 174.43 1jof s GLY 121 N -2.96 1.52 -0.14 0.71 0.00 0.74 -4.42 107.32 102.78 1jof s GLY 121 Ca 0.11 -1.39 0.02 0.00 0.00 0.00 0.00 44.72 43.45 1jof s GLY 121 CO -0.07 -1.42 -0.19 -1.31 0.00 0.00 0.00 173.10 170.10 1jof s ASN 122 N -3.59 2.92 -0.12 1.64 0.02 0.04 -2.54 114.94 113.31 1jof s ASN 122 Ca 0.32 -0.56 -0.02 0.00 -1.02 0.00 0.00 52.86 51.57 1jof s ASN 122 Cb -0.08 -1.35 -0.03 0.00 0.02 0.00 0.00 41.25 39.81 1jof s ASN 122 CO 0.24 0.03 -0.04 -0.69 0.02 0.00 0.00 177.10 176.65 1jof s VAL 123 N 1.06 3.88 -0.02 1.60 1.01 -0.02 0.11 120.40 128.02 1jof s VAL 123 Ca -0.02 -0.38 0.06 0.00 0.00 0.00 0.00 61.98 61.63 1jof s VAL 123 Cb -0.14 -2.66 -0.01 0.00 0.00 0.00 0.00 36.38 33.56 1jof s VAL 123 CO -0.06 0.53 -0.19 -0.36 0.00 0.00 0.00 175.10 175.03 1jof s PHE 124 N -0.08 1.76 0.52 5.22 0.40 0.28 -1.52 117.98 124.56 1jof s PHE 124 Ca 0.02 -0.39 -0.03 0.00 -0.60 0.00 0.00 56.93 55.93 1jof s PHE 124 Cb -0.13 -1.15 0.00 0.00 0.51 0.00 0.00 43.02 42.25 1jof s PHE 124 CO 0.03 -0.07 0.79 -1.54 0.70 0.00 0.00 175.22 175.13 1jof s SER 125 N -0.31 5.71 0.15 1.36 1.04 -0.39 -1.04 113.70 120.23 1jof s SER 125 Ca 0.04 0.52 0.09 0.00 0.48 0.00 0.00 55.95 57.08 1jof s SER 125 Cb -0.09 -1.63 -0.04 0.00 0.10 0.00 0.00 66.02 64.36 1jof s SER 125 CO 0.00 -0.89 -0.21 0.68 0.98 0.00 0.00 173.24 173.81 1jof s VAL 126 N -2.79 1.93 1.13 5.02 -7.23 -1.26 0.04 120.40 117.24 1jof s VAL 126 Ca 0.51 -1.85 -0.17 0.00 -1.81 0.00 0.00 61.98 58.66 1jof s VAL 126 Cb -0.10 -1.84 0.25 0.00 0.56 0.00 0.00 36.38 35.25 1jof s VAL 126 CO 0.42 -0.19 1.14 -0.94 -0.31 0.00 0.00 175.10 175.22 1jof s SER 127 N -2.45 1.60 0.65 4.85 1.04 0.02 -4.80 113.70 114.60 1jof s SER 127 Ca 0.14 0.67 0.41 0.00 0.48 0.00 0.00 55.95 57.65 1jof s SER 127 Cb -0.07 -0.96 2.27 0.00 0.10 0.00 0.00 66.02 67.36 1jof s SER 127 CO 0.07 -3.71 2.33 1.05 0.98 0.00 0.00 173.24 173.96 1jof h GLU 128 N -2.30 0.00 -0.03 4.02 9.09 -2.01 -0.26 114.58 123.09 1jof h GLU 128 Ca -0.46 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.95 1jof h GLU 128 Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.39 1jof h GLU 128 CO 0.40 0.00 -0.01 0.25 0.05 0.00 0.00 179.01 179.69 1jof n THR 129 N -3.25 0.00 -0.47 -1.06 -2.24 -1.26 -4.96 114.28 101.04 1jof n THR 129 Ca -0.03 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1jof n THR 129 Cb 0.09 1.29 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 1jof n THR 129 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jof n GLY 130 N 1.32 0.76 3.80 3.38 0.00 -0.11 -4.89 105.19 109.44 1jof n GLY 130 Ca 0.15 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1jof n GLY 130 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jof s LYS 131 N -0.59 4.30 -0.25 1.61 2.20 -1.26 -4.71 119.74 121.04 1jof s LYS 131 Ca 0.00 1.26 -0.28 0.00 -0.36 0.00 0.00 55.97 56.58 1jof s LYS 131 Cb 0.00 -2.41 -0.04 0.00 -1.51 0.00 0.00 37.83 33.87 1jof s LYS 131 CO 0.00 0.02 2.02 -0.51 -0.36 0.00 0.00 175.35 176.52 1jof s LEU 132 N -2.78 3.52 -0.00 5.43 1.43 -1.26 -0.80 118.68 124.21 1jof s LEU 132 Ca 0.58 1.68 -0.00 0.00 -1.03 0.00 0.00 54.13 55.37 1jof s LEU 132 Cb -0.14 -3.52 -0.00 0.00 0.03 0.00 0.00 46.19 42.56 1jof s LEU 132 CO 0.19 -1.80 -0.00 -0.08 0.23 0.00 0.00 176.35 174.88 1jof h GLU 133 N 13.89 0.00 -3.09 1.70 4.57 -0.70 -3.47 114.58 127.48 1jof h GLU 133 Ca -0.38 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 57.66 1jof h GLU 133 Cb 1.21 0.00 -0.23 0.00 -0.16 0.00 0.00 28.75 29.57 1jof h GLU 133 CO 0.99 0.00 -0.36 0.21 -1.18 0.00 0.00 179.01 178.67 1jof s LYS 134 N -1.03 0.46 -0.62 1.92 2.20 -1.20 -4.96 119.74 116.50 1jof s LYS 134 Ca -0.00 0.12 -0.27 0.00 -0.36 0.00 0.00 55.97 55.46 1jof s LYS 134 Cb 0.00 0.21 0.00 0.00 -1.51 0.00 0.00 37.83 36.53 1jof s LYS 134 CO 0.00 -0.09 1.60 1.21 -0.36 0.00 0.00 175.35 177.71 1jof s ASN 135 N -0.49 5.73 0.07 1.43 3.84 -1.26 -1.26 114.94 123.01 1jof s ASN 135 Ca -0.06 0.15 0.26 0.00 0.21 0.00 0.00 52.86 53.42 1jof s ASN 135 Cb -0.04 -2.54 0.73 0.00 -0.55 0.00 0.00 41.25 38.85 1jof s ASN 135 CO 0.02 -2.06 1.61 1.33 -2.79 0.00 0.00 177.10 175.21 1jof n VAL 136 N 6.91 0.21 -3.63 -5.21 0.24 -0.58 -4.93 118.33 111.35 1jof n VAL 136 Ca 0.14 -0.13 -0.10 0.00 -2.04 0.00 0.00 64.34 62.21 1jof n VAL 136 Cb 0.50 -0.22 -0.07 0.00 -1.47 0.00 0.00 33.84 32.58 1jof n VAL 136 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1jof s GLN 137 N -3.06 0.56 -0.45 7.34 0.74 -1.21 -5.01 119.66 118.57 1jof s GLN 137 Ca 0.11 0.63 0.04 0.00 0.05 0.00 0.00 55.36 56.18 1jof s GLN 137 Cb 0.16 0.27 0.12 0.00 1.10 0.00 0.00 33.01 34.66 1jof s GLN 137 CO 0.64 -0.07 0.19 -0.80 -0.55 0.00 0.00 175.29 174.69 1jof s ASN 138 N 0.17 4.34 0.14 6.67 0.01 -1.26 -0.84 114.94 124.18 1jof s ASN 138 Ca 0.02 -2.66 -0.21 0.00 -0.71 0.00 0.00 52.86 49.30 1jof s ASN 138 Cb -0.05 -1.53 -0.07 0.00 0.41 0.00 0.00 41.25 40.01 1jof s ASN 138 CO -0.05 -0.29 0.67 -0.72 -1.51 0.00 0.00 177.10 175.20 1jof s TYR 139 N 0.21 3.78 0.19 2.20 -0.85 -1.05 -4.80 117.35 117.02 1jof s TYR 139 Ca 0.15 1.39 -0.07 0.00 -0.52 0.00 0.00 57.07 58.02 1jof s TYR 139 Cb -0.23 -2.60 -0.06 0.00 0.38 0.00 0.00 41.96 39.45 1jof s TYR 139 CO -0.03 0.49 0.46 -1.83 -1.52 0.00 0.00 175.55 173.12 1jof s GLU 140 N -1.40 3.71 0.00 -3.49 -1.05 -1.26 -0.18 118.70 115.03 1jof s GLU 140 Ca 0.35 0.10 0.00 0.00 -0.15 0.00 0.00 54.97 55.27 1jof s GLU 140 Cb -0.20 -2.75 0.00 0.00 -0.44 0.00 0.00 34.13 30.75 1jof s GLU 140 CO 0.22 0.39 0.00 0.66 0.95 0.00 0.00 175.26 177.48 1jof n TYR 141 N -0.02 0.00 -3.82 4.83 4.02 -0.31 -4.94 117.16 116.93 1jof n TYR 141 Ca -0.01 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.77 1jof n TYR 141 Cb 0.52 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.76 1jof n TYR 141 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 1jof s GLN 142 N 1.24 0.72 0.34 -0.72 -2.07 -1.25 -5.03 119.66 112.90 1jof s GLN 142 Ca 0.00 -0.59 0.14 0.00 -1.82 0.00 0.00 55.36 53.09 1jof s GLN 142 Cb 0.00 0.30 1.08 0.00 -1.09 0.00 0.00 33.01 33.31 1jof s GLN 142 CO 0.00 -0.21 1.64 1.49 -1.32 0.00 0.00 175.29 176.88 1jof h GLU 143 N 3.41 0.21 -0.12 9.60 4.81 -1.98 0.14 114.58 130.66 1jof h GLU 143 Ca -0.32 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.87 1jof h GLU 143 Cb 1.19 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 1jof h GLU 143 CO 0.47 0.14 -0.05 -0.97 -0.73 0.00 0.00 179.01 177.88 1jof h ASN 144 N 0.22 0.16 -2.55 1.04 -1.24 -1.96 -3.38 115.58 107.87 1jof h ASN 144 Ca 0.73 -0.02 -0.60 0.00 0.71 0.00 0.00 56.30 57.13 1jof h ASN 144 Cb 1.71 -0.04 0.16 0.00 0.73 0.00 0.00 38.32 40.88 1jof h ASN 144 CO -0.67 0.24 -0.48 0.41 -1.29 0.00 0.00 177.43 175.64 1jof n THR 145 N -4.38 1.75 -2.90 -3.57 -1.04 0.48 -4.17 114.28 100.44 1jof n THR 145 Ca -0.01 -0.50 -0.12 0.00 -2.04 0.00 0.00 64.05 61.38 1jof n THR 145 Cb 0.19 -0.54 0.00 0.00 -1.82 0.00 0.00 70.33 68.16 1jof n THR 145 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1jof n GLY 146 N 1.86 0.65 3.74 3.41 0.00 -1.26 -4.29 105.19 109.29 1jof n GLY 146 Ca 0.11 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 1jof n GLY 146 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jof s ILE 147 N 0.31 3.21 0.00 -0.61 -1.09 -1.26 -1.47 121.20 120.28 1jof s ILE 147 Ca 0.32 0.98 0.00 0.00 -2.23 0.00 0.00 60.65 59.72 1jof s ILE 147 Cb 0.15 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.40 1jof s ILE 147 CO -0.17 0.14 0.43 1.57 -1.23 0.00 0.00 174.94 175.68 1jof n HIS 148 N 2.76 0.00 -3.66 3.97 -0.00 -0.70 -4.76 115.22 112.83 1jof n HIS 148 Ca 0.07 0.00 0.02 0.00 0.46 0.00 0.00 57.72 58.27 1jof n HIS 148 Cb 0.43 0.00 -0.00 0.00 -0.12 0.00 0.00 29.99 30.30 1jof n HIS 148 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 1jof s GLY 149 N -0.07 -0.39 0.00 1.57 0.00 -1.15 -4.75 107.32 102.53 1jof s GLY 149 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 44.72 45.37 1jof s GLY 149 CO 0.00 0.95 0.00 1.55 0.00 0.00 0.00 173.10 175.60 1jof n VAL 151 N -0.55 0.00 -3.25 1.40 3.14 -0.57 -0.66 118.33 117.84 1jof n VAL 151 Ca -0.07 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 61.06 1jof n VAL 151 Cb 0.62 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 33.39 1jof n VAL 151 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 1jof s PHE 152 N -1.46 3.51 0.75 1.45 0.40 -1.26 -1.08 117.98 120.29 1jof s PHE 152 Ca 0.00 0.47 -0.12 0.00 -0.60 0.00 0.00 56.93 56.68 1jof s PHE 152 Cb 0.00 -1.99 0.04 0.00 0.51 0.00 0.00 43.02 41.58 1jof s PHE 152 CO 0.00 0.06 1.12 0.16 0.70 0.00 0.00 175.22 177.26 1jof s ASP 153 N -3.91 5.03 0.51 1.36 1.47 -0.76 -4.88 116.67 115.48 1jof s ASP 153 Ca 0.42 1.08 0.30 0.00 1.18 0.00 0.00 52.55 55.53 1jof s ASP 153 Cb -0.10 -1.79 1.42 0.00 -0.34 0.00 0.00 42.92 42.11 1jof s ASP 153 CO 0.37 -1.60 1.85 -0.65 0.68 0.00 0.00 175.17 175.82 1jof h PRO 154 N -0.84 0.08 0.00 2.11 0.11 -1.86 -0.72 132.00 130.88 1jof h PRO 154 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1jof h PRO 154 Cb 1.27 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1jof h PRO 154 CO 0.64 0.05 0.00 1.15 -0.21 0.00 0.00 178.00 179.63 1jof h THR 155 N 0.08 0.00 -5.02 -1.15 2.02 -1.95 -3.48 112.91 103.41 1jof h THR 155 Ca 0.48 -0.70 -0.30 0.00 0.77 0.00 0.00 66.41 66.67 1jof h THR 155 Cb 1.78 1.69 0.13 0.00 -1.74 0.00 0.00 68.15 70.01 1jof h THR 155 CO -0.05 0.00 -0.61 -0.62 0.37 0.00 0.00 175.52 174.61 1jof n GLU 156 N -2.63 -5.96 -0.01 6.66 1.02 -0.28 -4.91 120.64 114.53 1jof n GLU 156 Ca 0.05 0.70 0.01 0.00 -0.02 0.00 0.00 57.16 57.90 1jof n GLU 156 Cb 0.47 -5.30 -0.04 0.00 -0.02 0.00 0.00 31.44 26.55 1jof n GLU 156 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1jof n THR 157 N -4.00 0.13 -4.56 2.62 -1.04 -1.26 -4.78 114.28 101.39 1jof n THR 157 Ca -0.14 -0.17 -0.22 0.00 -2.04 0.00 0.00 64.05 61.48 1jof n THR 157 Cb 0.60 -0.07 -0.16 0.00 -1.82 0.00 0.00 70.33 68.89 1jof n THR 157 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1jof s TYR 158 N -2.30 1.22 -0.15 -1.42 1.51 -1.26 -0.06 117.35 114.88 1jof s TYR 158 Ca -0.02 -0.31 0.01 0.00 -1.01 0.00 0.00 57.07 55.74 1jof s TYR 158 Cb 0.03 -0.83 0.00 0.00 -0.11 0.00 0.00 41.96 41.05 1jof s TYR 158 CO 0.23 -0.10 -0.17 -1.17 -1.11 0.00 0.00 175.55 173.23 1jof s LEU 159 N 0.05 2.36 -0.13 -1.29 2.96 0.53 -1.84 118.68 121.33 1jof s LEU 159 Ca -0.02 -0.52 -0.03 0.00 -0.22 0.00 0.00 54.13 53.34 1jof s LEU 159 Cb -0.09 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 1jof s LEU 159 CO 0.01 0.08 -0.00 -0.31 -1.32 0.00 0.00 176.35 174.80 1jof s TYR 160 N 0.85 3.12 -0.06 5.38 1.51 -0.24 -0.41 117.35 127.51 1jof s TYR 160 Ca -0.05 -0.01 0.06 0.00 -1.01 0.00 0.00 57.07 56.06 1jof s TYR 160 Cb -0.15 -1.90 -0.01 0.00 -0.11 0.00 0.00 41.96 39.79 1jof s TYR 160 CO -0.01 0.23 -0.23 -1.12 -1.11 0.00 0.00 175.55 173.30 1jof s SER 161 N -0.20 2.89 -0.53 2.29 0.01 -0.70 -1.51 113.70 115.96 1jof s SER 161 Ca 0.05 -0.48 -0.20 0.00 1.31 0.00 0.00 55.95 56.62 1jof s SER 161 Cb -0.13 -0.82 0.06 0.00 0.21 0.00 0.00 66.02 65.34 1jof s SER 161 CO 0.02 0.22 0.71 0.00 0.41 0.00 0.00 173.24 174.61 1jof s ALA 162 N -0.10 3.33 -0.68 1.44 0.00 0.17 -0.92 121.76 125.00 1jof s ALA 162 Ca -0.04 -1.65 -0.19 0.00 0.00 0.00 0.00 51.96 50.08 1jof s ALA 162 Cb -0.14 -3.47 0.11 0.00 0.00 0.00 0.00 23.12 19.63 1jof s ALA 162 CO 0.04 -2.14 0.82 0.34 0.00 0.00 0.00 175.76 174.82 1jof s ASP 163 N 2.80 6.30 0.04 0.00 -1.08 0.12 -1.72 116.67 123.13 1jof s ASP 163 Ca 0.19 -1.56 -0.27 0.00 -0.52 0.00 0.00 52.55 50.39 1jof s ASP 163 Cb -0.18 -2.33 -0.17 0.00 -1.46 0.00 0.00 42.92 38.78 1jof s ASP 163 CO 0.13 -1.12 1.45 0.25 0.52 0.00 0.00 175.17 176.41 1jof h LEU 164 N 10.11 -0.36 -0.46 -1.34 6.46 -0.05 -0.86 115.31 128.80 1jof h LEU 164 Ca -0.19 -0.10 -0.09 0.00 -0.12 0.00 0.00 57.88 57.38 1jof h LEU 164 Cb 1.07 0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 41.08 1jof h LEU 164 CO 1.09 -0.11 -0.45 0.71 -0.62 0.00 0.00 178.44 179.07 1jof h THR 165 N -0.61 0.87 -0.01 1.05 1.35 -1.85 -3.02 112.91 110.69 1jof h THR 165 Ca -0.04 -1.90 0.00 0.00 -0.55 0.00 0.00 66.41 63.92 1jof h THR 165 Cb 0.44 2.19 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 1jof h THR 165 CO 0.07 0.44 -0.28 0.00 -0.25 0.00 0.00 175.52 175.49 1jof n ALA 166 N -2.25 3.14 -3.52 6.62 0.00 -1.24 -4.92 120.51 118.33 1jof n ALA 166 Ca 0.01 -0.48 -0.22 0.00 0.00 0.00 0.00 53.44 52.75 1jof n ALA 166 Cb 0.63 -1.04 0.05 0.00 0.00 0.00 0.00 19.45 19.10 1jof n ALA 166 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1jof n ASN 167 N -0.35 -4.35 -3.83 0.00 5.15 -0.41 -4.94 115.26 106.54 1jof n ASN 167 Ca 0.12 -0.83 -0.08 0.00 -0.60 0.00 0.00 54.58 53.19 1jof n ASN 167 Cb 0.39 -4.32 -0.03 0.00 -0.53 0.00 0.00 39.78 35.29 1jof n ASN 167 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 1jof s LYS 168 N -5.40 1.73 -0.16 1.20 -2.85 -0.74 -1.38 119.74 112.14 1jof s LYS 168 Ca 0.30 -1.15 0.01 0.00 -1.00 0.00 0.00 55.97 54.13 1jof s LYS 168 Cb -0.07 0.55 0.00 0.00 -2.06 0.00 0.00 37.83 36.25 1jof s LYS 168 CO 0.80 -0.76 -0.17 -0.51 0.10 0.00 0.00 175.35 174.80 1jof s LEU 169 N -2.98 2.36 0.14 2.77 1.43 0.53 -0.71 118.68 122.22 1jof s LEU 169 Ca 0.17 -0.52 0.02 0.00 -1.03 0.00 0.00 54.13 52.76 1jof s LEU 169 Cb -0.04 -1.53 -0.04 0.00 0.03 0.00 0.00 46.19 44.62 1jof s LEU 169 CO 0.09 0.07 0.28 0.26 0.23 0.00 0.00 176.35 177.28 1jof s TRP 170 N 0.90 3.49 -0.10 0.29 0.52 -0.09 -1.39 118.94 122.56 1jof s TRP 170 Ca -0.04 0.15 0.01 0.00 0.02 0.00 0.00 56.10 56.24 1jof s TRP 170 Cb -0.15 -1.69 0.02 0.00 -1.15 0.00 0.00 33.47 30.49 1jof s TRP 170 CO -0.02 0.52 -0.12 0.99 0.02 0.00 0.00 176.95 178.33 1jof s THR 171 N -1.72 1.27 0.13 2.01 2.01 0.80 -1.71 115.64 118.43 1jof s THR 171 Ca 0.35 -0.50 0.10 0.00 0.31 0.00 0.00 61.69 61.95 1jof s THR 171 Cb -0.11 -1.20 -0.04 0.00 0.01 0.00 0.00 72.50 71.16 1jof s THR 171 CO 0.28 0.40 -0.24 -1.00 -0.69 0.00 0.00 174.62 173.38 1jof s HIS 172 N 1.15 2.06 -0.16 4.92 3.76 0.46 -0.82 115.29 126.65 1jof s HIS 172 Ca -0.04 -0.40 -0.08 0.00 -0.15 0.00 0.00 55.06 54.39 1jof s HIS 172 Cb -0.14 -1.11 -0.04 0.00 1.11 0.00 0.00 32.58 32.40 1jof s HIS 172 CO -0.03 0.30 0.12 -0.98 -0.85 0.00 0.00 174.74 173.29 1jof s ARG 173 N -2.09 3.82 -0.26 1.40 3.03 0.80 -0.35 118.95 125.31 1jof s ARG 173 Ca 0.11 -0.22 -0.15 0.00 2.03 0.00 0.00 55.73 57.51 1jof s ARG 173 Cb -0.10 -3.27 -0.04 0.00 -1.03 0.00 0.00 34.95 30.52 1jof s ARG 173 CO 0.06 0.49 0.38 0.21 -1.13 0.00 0.00 175.30 175.31 1jof s LYS 174 N -0.21 4.05 0.82 3.89 2.20 0.91 -1.21 119.74 130.19 1jof s LYS 174 Ca 0.10 0.07 -0.12 0.00 -0.36 0.00 0.00 55.97 55.66 1jof s LYS 174 Cb -0.12 -3.63 0.08 0.00 -1.51 0.00 0.00 37.83 32.65 1jof s LYS 174 CO 0.01 -0.23 1.14 -0.51 -0.36 0.00 0.00 175.35 175.39 1jof s LEU 175 N 1.93 2.46 0.52 5.43 1.43 0.18 -4.82 118.68 125.80 1jof s LEU 175 Ca 0.16 0.98 0.20 0.00 -1.03 0.00 0.00 54.13 54.43 1jof s LEU 175 Cb -0.16 -3.50 1.34 0.00 0.03 0.00 0.00 46.19 43.90 1jof s LEU 175 CO 0.09 -1.99 2.13 0.00 0.23 0.00 0.00 176.35 176.81 1jof h ALA 176 N -1.11 1.77 0.00 4.21 0.00 -1.98 -1.29 119.26 120.86 1jof h ALA 176 Ca -0.47 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1jof h ALA 176 Cb 1.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1jof h ALA 176 CO 0.63 0.07 0.00 0.66 0.00 0.00 0.00 179.25 180.61 1jof h SER 177 N 0.00 0.00 0.00 0.00 4.64 -1.97 -3.42 113.55 112.80 1jof h SER 177 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jof h SER 177 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1jof h SER 177 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1jof n GLY 178 N -0.25 2.74 3.81 -0.77 0.00 -0.49 -4.84 105.19 105.40 1jof n GLY 178 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1jof n GLY 178 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jof s GLU 179 N -0.70 3.19 0.47 1.61 2.02 -1.26 -4.68 118.70 119.35 1jof s GLU 179 Ca 0.00 1.07 0.07 0.00 0.02 0.00 0.00 54.97 56.13 1jof s GLU 179 Cb 0.00 -2.02 -0.00 0.00 0.10 0.00 0.00 34.13 32.21 1jof s GLU 179 CO 0.00 -0.91 0.35 0.14 0.02 0.00 0.00 175.26 174.86 1jof s VAL 180 N -2.74 2.12 -0.20 2.63 -7.23 -1.26 0.49 120.40 114.21 1jof s VAL 180 Ca 0.61 -1.49 -0.12 0.00 -1.81 0.00 0.00 61.98 59.17 1jof s VAL 180 Cb -0.15 -2.61 0.06 0.00 0.56 0.00 0.00 36.38 34.25 1jof s VAL 180 CO 0.45 0.00 0.49 -0.70 -0.31 0.00 0.00 175.10 175.03 1jof s GLU 181 N -4.15 0.50 0.36 4.82 2.12 -0.35 -4.90 118.70 117.10 1jof s GLU 181 Ca 0.40 0.89 -0.28 0.00 0.36 0.00 0.00 54.97 56.34 1jof s GLU 181 Cb -0.01 0.05 -0.11 0.00 0.26 0.00 0.00 34.13 34.32 1jof s GLU 181 CO 0.24 -0.15 1.49 -1.17 -0.54 0.00 0.00 175.26 175.12 1jof s LEU 182 N 1.34 4.33 -0.08 2.70 2.96 -1.26 -0.14 118.68 128.53 1jof s LEU 182 Ca -0.09 3.02 -0.03 0.00 -0.22 0.00 0.00 54.13 56.81 1jof s LEU 182 Cb -0.07 -3.66 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 1jof s LEU 182 CO -0.13 -0.86 -0.09 0.52 -1.32 0.00 0.00 176.35 174.47 1jof n VAL 183 N 0.66 0.42 -2.13 1.68 0.31 -0.00 -4.78 118.33 114.49 1jof n VAL 183 Ca 0.02 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1jof n VAL 183 Cb 0.39 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 1jof n VAL 183 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jof n GLY 184 N 2.64 -1.54 3.47 2.92 0.00 -0.97 -5.00 105.19 106.72 1jof n GLY 184 Ca -0.15 -1.05 -0.09 0.00 0.00 0.00 0.00 46.02 44.72 1jof n GLY 184 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jof s SER 185 N -2.47 -0.11 -0.04 1.61 1.04 -1.26 -0.14 113.70 112.32 1jof s SER 185 Ca 0.00 -0.72 -0.04 0.00 0.48 0.00 0.00 55.95 55.67 1jof s SER 185 Cb 0.00 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.66 1jof s SER 185 CO 0.00 -1.02 0.11 -0.69 0.98 0.00 0.00 173.24 172.63 1jof s VAL 186 N -3.94 0.00 0.44 5.02 1.01 -0.48 -4.97 120.40 117.49 1jof s VAL 186 Ca 0.15 -0.03 -0.22 0.00 0.00 0.00 0.00 61.98 61.88 1jof s VAL 186 Cb 0.01 -0.17 -0.09 0.00 0.00 0.00 0.00 36.38 36.13 1jof s VAL 186 CO 0.01 -0.01 1.05 -1.81 0.00 0.00 0.00 175.10 174.34 1jof s ASP 187 N 0.01 6.53 0.80 3.32 1.01 -1.26 -0.35 116.67 126.73 1jof s ASP 187 Ca -0.01 2.01 -0.14 0.00 0.71 0.00 0.00 52.55 55.13 1jof s ASP 187 Cb -0.01 -2.58 0.08 0.00 1.01 0.00 0.00 42.92 41.42 1jof s ASP 187 CO 0.00 -0.65 1.17 0.00 0.21 0.00 0.00 175.17 175.89 1jof n ALA 188 N -0.50 -0.09 -0.33 5.23 0.00 -0.48 -4.83 120.51 119.51 1jof n ALA 188 Ca 0.07 -0.32 0.12 0.00 0.00 0.00 0.00 53.44 53.30 1jof n ALA 188 Cb 0.51 -2.23 0.30 0.00 0.00 0.00 0.00 19.45 18.03 1jof n ALA 188 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1jof h PRO 189 N -0.86 0.63 -5.82 0.00 0.11 -1.94 -3.42 132.00 120.70 1jof h PRO 189 Ca -0.46 -0.04 -0.53 0.00 0.11 0.00 0.00 66.00 65.08 1jof h PRO 189 Cb 1.30 -0.14 -0.25 0.00 0.11 0.00 0.00 31.00 32.02 1jof h PRO 189 CO 0.46 0.42 -0.82 0.34 -0.21 0.00 0.00 178.00 178.18 1jof s ASP 190 N -5.36 2.19 0.52 -2.05 -1.08 -1.26 -5.03 116.67 104.60 1jof s ASP 190 Ca -0.11 -0.52 0.22 0.00 -0.52 0.00 0.00 52.55 51.62 1jof s ASP 190 Cb 0.24 -0.16 1.34 0.00 -1.46 0.00 0.00 42.92 42.88 1jof s ASP 190 CO 0.79 0.10 2.03 -0.65 0.52 0.00 0.00 175.17 177.96 1jof h PRO 191 N 4.80 0.03 -0.41 4.34 0.11 -1.97 -1.34 132.00 137.56 1jof h PRO 191 Ca -0.41 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1jof h PRO 191 Cb 1.17 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1jof h PRO 191 CO 0.43 0.02 0.00 0.41 -0.21 0.00 0.00 178.00 178.66 1jof n GLY 192 N -1.61 0.97 0.21 -0.55 0.00 -1.26 -4.55 105.19 98.40 1jof n GLY 192 Ca 0.07 -0.46 -0.08 0.00 0.00 0.00 0.00 46.02 45.55 1jof n GLY 192 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jof h ASP 193 N 2.51 -0.42 -4.21 1.61 3.32 -1.58 -2.33 116.42 115.33 1jof h ASP 193 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1jof h ASP 193 Cb 0.57 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.23 1jof h ASP 193 CO 0.00 -0.13 -0.37 1.41 -1.72 0.00 0.00 179.24 178.44 1jof n HIS 194 N -4.30 -2.00 -1.69 4.55 8.25 -1.26 -0.94 115.22 117.83 1jof n HIS 194 Ca -0.06 0.84 -0.44 0.00 -0.26 0.00 0.00 57.72 57.80 1jof n HIS 194 Cb 0.20 -2.90 -0.03 0.00 1.12 0.00 0.00 29.99 28.38 1jof n HIS 194 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1jof n PRO 195 N -0.11 2.35 0.00 -0.41 -0.02 -1.26 -0.73 135.00 134.82 1jof n PRO 195 Ca 0.04 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1jof n PRO 195 Cb 0.16 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.04 1jof n PRO 195 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1jof n ARG 196 N 2.93 2.94 -3.85 -0.52 0.63 -0.27 -1.30 116.66 117.22 1jof n ARG 196 Ca 0.14 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.95 1jof n ARG 196 Cb 0.32 -0.91 -0.09 0.00 0.45 0.00 0.00 32.46 32.23 1jof n ARG 196 CO 0.00 0.00 0.00 -0.46 -2.51 0.00 0.00 177.63 174.66 1jof s TRP 197 N -1.79 0.01 -0.00 -0.14 -0.11 -1.16 -2.92 118.94 112.83 1jof s TRP 197 Ca 0.00 -0.10 0.00 0.00 1.22 0.00 0.00 56.10 57.23 1jof s TRP 197 Cb 0.00 -0.02 0.00 0.00 -1.50 0.00 0.00 33.47 31.95 1jof s TRP 197 CO 0.00 -0.33 -0.01 0.14 -4.62 0.00 0.00 176.95 172.13 1jof s VAL 198 N -1.59 0.11 0.00 5.86 -7.23 -1.26 -0.03 120.40 116.25 1jof s VAL 198 Ca -0.13 -0.04 0.00 0.00 -1.81 0.00 0.00 61.98 60.00 1jof s VAL 198 Cb -0.06 -0.11 0.00 0.00 0.56 0.00 0.00 36.38 36.77 1jof s VAL 198 CO 0.01 0.04 0.00 0.00 -0.31 0.00 0.00 175.10 174.84 1jof n ALA 199 N 3.15 0.00 -2.62 1.32 0.00 -0.01 -4.56 120.51 117.78 1jof n ALA 199 Ca -0.14 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.10 1jof n ALA 199 Cb 0.59 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.89 1jof n ALA 199 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1jof s HIS 201 N 1.07 1.17 0.58 0.00 2.46 -0.64 -0.84 115.29 119.10 1jof s HIS 201 Ca 0.00 -0.28 0.29 0.00 0.47 0.00 0.00 55.06 55.54 1jof s HIS 201 Cb 0.00 -0.73 1.51 0.00 -0.13 0.00 0.00 32.58 33.23 1jof s HIS 201 CO 0.00 0.00 1.94 -1.35 -2.47 0.00 0.00 174.74 172.87 1jof h PRO 202 N 5.43 0.00 0.00 2.88 0.11 -1.92 -0.28 132.00 138.22 1jof h PRO 202 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1jof h PRO 202 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1jof h PRO 202 CO 0.47 0.00 -0.02 1.79 -0.21 0.00 0.00 178.00 180.03 1jof h THR 203 N 0.00 0.00 0.00 -1.15 1.35 -1.92 -3.45 112.91 107.74 1jof h THR 203 Ca 0.20 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1jof h THR 203 Cb 1.04 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 69.24 1jof h THR 203 CO -0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1jof n GLY 204 N 1.18 0.81 0.08 5.82 0.00 -0.11 -4.91 105.19 108.06 1jof n GLY 204 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.02 1jof n GLY 204 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1jof h ASN 205 N 0.00 0.00 -4.47 1.61 2.35 -1.83 -3.43 115.58 109.80 1jof h ASN 205 Ca 0.00 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.42 1jof h ASN 205 Cb 0.00 0.00 -0.19 0.00 0.05 0.00 0.00 38.32 38.18 1jof h ASN 205 CO 0.00 0.85 -0.74 -0.31 -1.65 0.00 0.00 177.43 175.58 1jof s TYR 206 N -2.78 1.02 0.02 1.19 1.51 -1.26 -0.95 117.35 116.10 1jof s TYR 206 Ca 0.01 -0.59 0.03 0.00 -1.01 0.00 0.00 57.07 55.51 1jof s TYR 206 Cb 0.09 -0.57 -0.01 0.00 -0.11 0.00 0.00 41.96 41.36 1jof s TYR 206 CO 0.80 -0.01 -0.09 -1.17 -1.11 0.00 0.00 175.55 173.97 1jof s LEU 207 N -2.16 2.11 -0.11 -1.29 0.20 -0.27 -1.63 118.68 115.54 1jof s LEU 207 Ca 0.01 -0.32 0.02 0.00 0.69 0.00 0.00 54.13 54.54 1jof s LEU 207 Cb -0.05 -0.38 -0.01 0.00 -0.43 0.00 0.00 46.19 45.32 1jof s LEU 207 CO 0.00 0.00 -0.19 -0.31 -0.29 0.00 0.00 176.35 175.57 1jof s TYR 208 N -0.64 2.67 -0.22 5.38 1.51 -0.02 -1.21 117.35 124.82 1jof s TYR 208 Ca -0.01 -0.88 -0.03 0.00 -1.01 0.00 0.00 57.07 55.15 1jof s TYR 208 Cb -0.06 -1.77 0.00 0.00 -0.11 0.00 0.00 41.96 40.02 1jof s TYR 208 CO 0.00 -0.33 -0.07 0.00 -1.11 0.00 0.00 175.55 174.04 1jof s ALA 209 N 0.36 2.71 0.60 3.71 0.00 -0.46 -0.83 121.76 127.85 1jof s ALA 209 Ca -0.15 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.57 1jof s ALA 209 Cb -0.17 -1.62 0.00 0.00 0.00 0.00 0.00 23.12 21.33 1jof s ALA 209 CO 0.07 -0.49 0.00 -0.11 0.00 0.00 0.00 175.76 175.23 1jof n LEU 210 N 4.75 0.00 0.06 0.00 0.00 0.95 -0.83 117.00 121.94 1jof n LEU 210 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.83 1jof n LEU 210 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.92 1jof n LEU 210 CO 0.28 -0.13 -0.09 1.21 0.00 0.00 0.00 177.39 178.67 1jof n GLU 212 N -0.26 0.00 0.09 1.96 2.13 0.09 -1.11 120.64 123.55 1jof n GLU 212 Ca 0.00 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.78 1jof n GLU 212 Cb 0.00 -0.22 -0.02 0.00 0.27 0.00 0.00 31.44 31.47 1jof n GLU 212 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1jof h ALA 213 N 0.00 0.56 0.00 4.31 0.00 -1.21 -1.78 119.26 121.14 1jof h ALA 213 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1jof h ALA 213 Cb 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1jof h ALA 213 CO 0.00 1.05 0.00 0.41 0.00 0.00 0.00 179.25 180.71 1jof n GLY 214 N 1.01 -1.59 3.70 0.00 0.00 -0.46 -4.88 105.19 102.97 1jof n GLY 214 Ca -0.00 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1jof n GLY 214 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jof n ASN 215 N -2.11 -5.31 -3.56 1.61 3.02 -1.19 -4.92 115.26 102.81 1jof n ASN 215 Ca 0.05 -1.01 -0.07 0.00 -0.03 0.00 0.00 54.58 53.52 1jof n ASN 215 Cb 0.38 -3.19 -0.02 0.00 -0.61 0.00 0.00 39.78 36.34 1jof n ASN 215 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jof s ARG 216 N -5.96 0.96 -0.17 3.52 1.70 -1.26 -1.88 118.95 115.86 1jof s ARG 216 Ca 0.44 -0.41 -0.06 0.00 -0.47 0.00 0.00 55.73 55.23 1jof s ARG 216 Cb -0.17 0.40 -0.04 0.00 -0.57 0.00 0.00 34.95 34.58 1jof s ARG 216 CO 0.87 -0.43 0.02 0.42 -1.08 0.00 0.00 175.30 175.11 1jof s ILE 217 N -3.22 4.44 -0.08 4.99 -1.09 0.05 -4.45 121.20 121.85 1jof s ILE 217 Ca 0.07 -0.16 0.00 0.00 -2.23 0.00 0.00 60.65 58.33 1jof s ILE 217 Cb -0.01 -2.98 -0.03 0.00 -1.58 0.00 0.00 42.46 37.86 1jof s ILE 217 CO -0.06 0.47 -0.07 0.00 -1.23 0.00 0.00 174.94 174.06 1jof s GLU 219 N -0.66 4.12 -0.03 0.00 2.12 -0.53 -1.36 118.70 122.38 1jof s GLU 219 Ca 0.10 0.32 0.04 0.00 0.36 0.00 0.00 54.97 55.79 1jof s GLU 219 Cb -0.11 -3.34 -0.01 0.00 0.26 0.00 0.00 34.13 30.93 1jof s GLU 219 CO 0.02 0.41 -0.15 0.71 -0.54 0.00 0.00 175.26 175.71 1jof s TYR 220 N -0.14 1.39 -0.14 5.30 1.51 -0.35 -2.22 117.35 122.70 1jof s TYR 220 Ca 0.22 -0.33 -0.08 0.00 -1.01 0.00 0.00 57.07 55.87 1jof s TYR 220 Cb -0.15 -0.93 -0.04 0.00 -0.11 0.00 0.00 41.96 40.73 1jof s TYR 220 CO 0.09 -0.09 0.14 0.54 -1.11 0.00 0.00 175.55 175.12 1jof s VAL 221 N -0.11 5.47 -0.26 0.71 0.11 0.19 -1.11 120.40 125.40 1jof s VAL 221 Ca 0.01 0.20 -0.22 0.00 -2.93 0.00 0.00 61.98 59.03 1jof s VAL 221 Cb -0.08 -3.40 -0.01 0.00 -1.53 0.00 0.00 36.38 31.35 1jof s VAL 221 CO 0.01 0.58 0.73 -0.63 -3.33 0.00 0.00 175.10 172.46 1jof s ILE 222 N -0.73 4.89 -0.17 7.04 1.01 -0.12 -0.15 121.20 132.96 1jof s ILE 222 Ca 0.13 1.27 -0.29 0.00 0.00 0.00 0.00 60.65 61.77 1jof s ILE 222 Cb -0.12 -4.05 -0.03 0.00 0.01 0.00 0.00 42.46 38.28 1jof s ILE 222 CO 0.03 -0.08 1.53 -0.62 0.00 0.00 0.00 174.94 175.80 1jof s ASP 223 N 1.47 6.59 0.50 3.58 -1.08 -1.26 -4.89 116.67 121.57 1jof s ASP 223 Ca 0.30 1.76 0.24 0.00 -0.52 0.00 0.00 52.55 54.33 1jof s ASP 223 Cb -0.15 -2.53 1.31 0.00 -1.46 0.00 0.00 42.92 40.08 1jof s ASP 223 CO 0.09 -1.06 2.03 1.55 0.52 0.00 0.00 175.17 178.30 1jof h PRO 224 N 9.81 0.00 -0.33 4.34 0.13 -1.95 1.21 132.00 145.20 1jof h PRO 224 Ca -0.33 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.77 1jof h PRO 224 Cb 1.14 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1jof h PRO 224 CO 0.99 0.15 0.10 0.00 -0.23 0.00 0.00 178.00 179.01 1jof h ALA 225 N 1.85 0.43 0.00 -0.56 0.00 -2.04 -3.35 119.26 115.60 1jof h ALA 225 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1jof h ALA 225 Cb 0.37 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1jof h ALA 225 CO 0.02 0.08 -1.31 0.25 0.00 0.00 0.00 179.25 178.29 1jof n THR 226 N -4.66 0.00 -1.78 0.00 -2.24 -1.11 -5.27 114.28 99.22 1jof n THR 226 Ca -0.02 -0.23 -0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1jof n THR 226 Cb 0.17 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 1jof n THR 226 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1jof n HIS 227 N -1.75 -0.59 -5.15 4.78 8.25 0.41 -5.03 115.22 116.15 1jof n HIS 227 Ca -0.01 0.23 -0.30 0.00 -0.26 0.00 0.00 57.72 57.38 1jof n HIS 227 Cb 0.24 -1.98 -0.16 0.00 1.12 0.00 0.00 29.99 29.20 1jof n HIS 227 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1jof s PRO 229 N -2.44 2.13 -0.13 -0.41 0.04 -1.26 -4.81 135.00 128.12 1jof s PRO 229 Ca 0.02 -0.83 0.03 0.00 0.04 0.00 0.00 61.00 60.26 1jof s PRO 229 Cb -0.00 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.63 1jof s PRO 229 CO 0.14 0.42 -0.22 0.08 0.04 0.00 0.00 177.00 177.46 1jof s VAL 230 N -0.31 2.00 0.17 -0.36 1.01 0.78 -4.92 120.40 118.77 1jof s VAL 230 Ca 0.02 -0.96 -0.31 0.00 0.00 0.00 0.00 61.98 60.73 1jof s VAL 230 Cb -0.11 -1.76 -0.10 0.00 0.00 0.00 0.00 36.38 34.41 1jof s VAL 230 CO 0.01 0.54 1.55 -0.47 0.00 0.00 0.00 175.10 176.73 1jof s TYR 231 N 0.71 3.07 -1.99 5.22 5.04 -1.26 -0.64 117.35 127.50 1jof s TYR 231 Ca -0.10 0.67 0.25 0.00 -2.44 0.00 0.00 57.07 55.45 1jof s TYR 231 Cb -0.16 -3.91 0.49 0.00 0.35 0.00 0.00 41.96 38.73 1jof s TYR 231 CO 0.01 -3.31 1.40 0.25 -1.34 0.00 0.00 175.55 172.56 1jof n THR 232 N 3.85 0.00 -0.98 4.34 -2.24 -0.94 -4.91 114.28 113.40 1jof n THR 232 Ca 0.13 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1jof n THR 232 Cb 0.39 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 1jof n THR 232 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1jof n HIS 233 N -0.25 0.00 -3.86 4.78 8.25 -1.26 -5.03 115.22 117.85 1jof n HIS 233 Ca 0.12 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.23 1jof n HIS 233 Cb 0.40 -0.03 -0.09 0.00 1.12 0.00 0.00 29.99 31.39 1jof n HIS 233 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1jof s HIS 234 N -2.00 3.31 0.06 4.41 3.76 -1.26 -5.04 115.29 118.52 1jof s HIS 234 Ca 0.00 0.16 -0.03 0.00 -0.15 0.00 0.00 55.06 55.04 1jof s HIS 234 Cb 0.00 -2.14 -0.03 0.00 1.11 0.00 0.00 32.58 31.53 1jof s HIS 234 CO 0.00 0.17 0.04 -1.54 -0.85 0.00 0.00 174.74 172.56 1jof s SER 235 N 0.49 0.35 0.01 1.40 1.04 -1.26 -1.45 113.70 114.30 1jof s SER 235 Ca 0.05 -0.85 0.02 0.00 0.48 0.00 0.00 55.95 55.65 1jof s SER 235 Cb -0.12 0.24 -0.01 0.00 0.10 0.00 0.00 66.02 66.23 1jof s SER 235 CO 0.00 -0.62 -0.07 -0.36 0.98 0.00 0.00 173.24 173.17 1jof s PHE 236 N -3.74 0.60 0.34 5.02 0.40 -0.14 -4.94 117.98 115.52 1jof s PHE 236 Ca 0.05 -0.25 -0.27 0.00 -0.60 0.00 0.00 56.93 55.86 1jof s PHE 236 Cb 0.06 -0.37 -0.09 0.00 0.51 0.00 0.00 43.02 43.12 1jof s PHE 236 CO -0.10 -0.03 1.09 -1.25 0.70 0.00 0.00 175.22 175.63 1jof s PRO 237 N -0.70 4.39 0.00 0.24 0.04 -1.26 -0.77 135.00 136.93 1jof s PRO 237 Ca -0.02 1.70 0.12 0.00 0.04 0.00 0.00 61.00 62.83 1jof s PRO 237 Cb -0.05 -2.88 0.07 0.00 0.04 0.00 0.00 34.50 31.68 1jof s PRO 237 CO 0.00 0.01 0.83 1.28 0.04 0.00 0.00 177.00 179.16 1jof n LEU 238 N 0.57 1.82 -4.06 -3.56 4.32 -0.79 -4.86 117.00 110.44 1jof n LEU 238 Ca 0.02 -0.94 -0.09 0.00 -0.02 0.00 0.00 56.01 54.98 1jof n LEU 238 Cb 0.47 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.16 1jof n LEU 238 CO 0.50 0.34 -0.37 0.27 -1.22 0.00 0.00 177.39 176.91 1jof s ILE 239 N -1.13 0.32 0.17 -0.08 -4.36 -1.26 -4.58 121.20 110.28 1jof s ILE 239 Ca 0.13 -1.42 -0.33 0.00 -0.26 0.00 0.00 60.65 58.77 1jof s ILE 239 Cb 0.10 -0.99 -0.13 0.00 1.25 0.00 0.00 42.46 42.69 1jof s ILE 239 CO 0.19 -0.71 1.67 -2.65 0.24 0.00 0.00 174.94 173.67 1jof n PRO 240 N 0.79 2.46 -1.67 0.37 -0.02 -1.26 -4.89 135.00 130.78 1jof n PRO 240 Ca -0.18 0.89 -0.45 0.00 -2.02 0.00 0.00 63.50 61.73 1jof n PRO 240 Cb 0.58 -2.70 -0.03 0.00 -0.02 0.00 0.00 33.50 31.32 1jof n PRO 240 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1jof n PRO 241 N 3.88 2.12 0.00 0.52 -0.02 -1.26 -1.91 135.00 138.34 1jof n PRO 241 Ca 0.17 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 1jof n PRO 241 Cb 0.32 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 1jof n PRO 241 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jof n GLY 242 N 2.76 2.63 3.74 -1.23 0.00 -1.26 -5.02 105.19 106.80 1jof n GLY 242 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1jof n GLY 242 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1jof n ILE 243 N -2.00 2.05 -1.66 -0.61 3.06 -0.80 -4.86 119.36 114.55 1jof n ILE 243 Ca 0.00 -0.50 -0.43 0.00 -2.50 0.00 0.00 62.75 59.32 1jof n ILE 243 Cb 0.00 -1.78 -0.03 0.00 0.54 0.00 0.00 39.64 38.37 1jof n ILE 243 CO 0.00 0.00 0.00 -2.65 -2.50 0.00 0.00 176.55 171.40 1jof n PRO 244 N 0.45 2.69 -0.63 9.51 -0.02 -1.26 -4.84 135.00 140.89 1jof n PRO 244 Ca 0.03 0.97 0.06 0.00 -2.02 0.00 0.00 63.50 62.53 1jof n PRO 244 Cb 0.38 -2.99 0.11 0.00 -0.02 0.00 0.00 33.50 30.99 1jof n PRO 244 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1jof n ASP 245 N 7.86 1.44 -4.12 2.55 5.75 -1.26 -4.91 116.55 123.86 1jof n ASP 245 Ca 0.22 -2.95 -0.32 0.00 -0.01 0.00 0.00 54.79 51.73 1jof n ASP 245 Cb 0.40 -0.40 -0.16 0.00 -1.03 0.00 0.00 41.12 39.92 1jof n ASP 245 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1jof s ARG 246 N -1.89 2.78 -0.06 0.11 0.52 -1.26 -1.37 118.95 117.77 1jof s ARG 246 Ca 0.29 -0.76 -0.30 0.00 -0.52 0.00 0.00 55.73 54.44 1jof s ARG 246 Cb 0.29 -2.33 -0.04 0.00 0.52 0.00 0.00 34.95 33.39 1jof s ARG 246 CO -0.05 -0.10 1.32 0.34 0.02 0.00 0.00 175.30 176.84 1jof s ASP 247 N 1.04 6.92 0.00 0.23 -1.08 0.30 -4.88 116.67 119.19 1jof s ASP 247 Ca -0.03 1.93 0.25 0.00 -0.52 0.00 0.00 52.55 54.18 1jof s ASP 247 Cb -0.14 -2.55 1.34 0.00 -1.46 0.00 0.00 42.92 40.10 1jof s ASP 247 CO -0.06 -0.70 1.84 -0.81 0.52 0.00 0.00 175.17 175.97 1jof n PRO 248 N 5.73 0.51 -0.81 4.34 -0.05 -1.26 0.12 135.00 143.57 1jof n PRO 248 Ca 0.13 0.04 -0.04 0.00 -0.05 0.00 0.00 63.50 63.57 1jof n PRO 248 Cb 0.45 -1.50 0.20 0.00 -0.05 0.00 0.00 33.50 32.60 1jof n PRO 248 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 175.50 175.84 1jof n GLU 249 N -1.19 1.96 0.00 0.54 4.71 -1.26 -4.67 120.64 120.73 1jof n GLU 249 Ca 0.14 -3.15 0.00 0.00 -0.01 0.00 0.00 57.16 54.14 1jof n GLU 249 Cb 0.16 -1.84 0.00 0.00 -1.01 0.00 0.00 31.44 28.74 1jof n GLU 249 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 1jof n THR 250 N -1.07 0.00 0.00 2.62 -1.04 -0.87 -4.94 114.28 108.98 1jof n THR 250 Ca 0.34 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.35 1jof n THR 250 Cb 1.07 -0.01 0.00 0.00 -1.82 0.00 0.00 70.33 69.56 1jof n THR 250 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1jof n GLY 251 N -1.12 2.62 3.79 3.41 0.00 0.31 -5.01 105.19 109.20 1jof n GLY 251 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1jof n GLY 251 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jof s LYS 252 N -0.23 2.19 0.71 1.61 0.00 -1.26 -4.64 119.74 118.13 1jof s LYS 252 Ca 0.00 0.81 -0.13 0.00 0.00 0.00 0.00 55.97 56.65 1jof s LYS 252 Cb 0.00 -1.92 0.03 0.00 0.00 0.00 0.00 37.83 35.94 1jof s LYS 252 CO 0.00 -1.59 1.12 0.20 0.00 0.00 0.00 175.35 175.07 1jof s GLY 253 N -3.74 2.01 -0.01 0.59 0.00 -1.26 -0.54 107.32 104.37 1jof s GLY 253 Ca 0.61 0.50 0.22 0.00 0.00 0.00 0.00 44.72 46.04 1jof s GLY 253 CO 0.55 0.86 0.77 1.04 0.00 0.00 0.00 173.10 176.32 1jof n LEU 254 N -2.87 0.62 -4.22 0.66 4.77 -0.47 -4.61 117.00 110.88 1jof n LEU 254 Ca 0.10 -0.28 -0.24 0.00 -0.03 0.00 0.00 56.01 55.56 1jof n LEU 254 Cb 0.52 -0.01 -0.14 0.00 -2.33 0.00 0.00 43.42 41.46 1jof n LEU 254 CO 0.49 0.15 -0.50 -0.31 -1.33 0.00 0.00 177.39 175.89 1jof s TYR 255 N -3.19 1.62 -0.18 -1.77 1.51 -1.26 -0.37 117.35 113.71 1jof s TYR 255 Ca 0.02 -0.37 -0.04 0.00 -1.01 0.00 0.00 57.07 55.68 1jof s TYR 255 Cb 0.15 -0.97 0.06 0.00 -0.11 0.00 0.00 41.96 41.09 1jof s TYR 255 CO 0.88 0.08 0.06 1.03 -1.11 0.00 0.00 175.55 176.48 1jof s ARG 256 N -1.17 0.39 0.63 -0.62 0.52 -0.50 -4.77 118.95 113.43 1jof s ARG 256 Ca 0.06 -0.25 -0.18 0.00 -0.52 0.00 0.00 55.73 54.83 1jof s ARG 256 Cb -0.08 -1.94 -0.03 0.00 0.52 0.00 0.00 34.95 33.42 1jof s ARG 256 CO 0.02 -0.64 1.13 0.00 0.02 0.00 0.00 175.30 175.83 1jof n ALA 257 N 5.15 0.68 -0.89 2.13 0.00 -0.67 -1.41 120.51 125.50 1jof n ALA 257 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1jof n ALA 257 Cb 0.48 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.71 1jof n ALA 257 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1jof n ASP 258 N -1.34 0.00 -4.15 0.00 2.03 0.90 -4.55 116.55 109.44 1jof n ASP 258 Ca 0.15 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.34 1jof n ASP 258 Cb 0.48 -0.02 -0.11 0.00 -0.72 0.00 0.00 41.12 40.75 1jof n ASP 258 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1jof s VAL 259 N -0.11 0.73 0.01 5.18 1.01 -1.23 -4.65 120.40 121.33 1jof s VAL 259 Ca 0.00 -1.67 0.01 0.00 0.00 0.00 0.00 61.98 60.32 1jof s VAL 259 Cb 0.00 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 35.01 1jof s VAL 259 CO 0.00 -0.68 -0.05 0.00 0.00 0.00 0.00 175.10 174.37 1jof s ALA 261 N -0.46 -1.63 0.41 0.00 0.00 0.08 -4.71 121.76 115.46 1jof s ALA 261 Ca -0.02 1.92 -0.15 0.00 0.00 0.00 0.00 51.96 53.71 1jof s ALA 261 Cb -0.04 -1.12 -0.08 0.00 0.00 0.00 0.00 23.12 21.88 1jof s ALA 261 CO -0.00 -0.32 0.85 -0.51 0.00 0.00 0.00 175.76 175.78 1jof s LEU 262 N 0.60 3.87 0.70 0.00 1.02 -1.26 -1.16 118.68 122.44 1jof s LEU 262 Ca -0.02 1.40 -0.08 0.00 0.02 0.00 0.00 54.13 55.45 1jof s LEU 262 Cb -0.05 -4.27 0.04 0.00 0.02 0.00 0.00 46.19 41.94 1jof s LEU 262 CO -0.03 -0.38 1.03 0.42 0.02 0.00 0.00 176.35 177.41 1jof s THR 263 N -2.29 2.79 0.27 5.49 -4.23 -0.37 -4.82 115.64 112.49 1jof s THR 263 Ca 0.56 -0.02 -0.03 0.00 -1.18 0.00 0.00 61.69 61.03 1jof s THR 263 Cb -0.10 -3.20 0.32 0.00 1.34 0.00 0.00 72.50 70.86 1jof s THR 263 CO 0.23 -0.23 1.62 0.15 -0.54 0.00 0.00 174.62 175.86 1jof h PHE 264 N -0.59 0.04 0.00 3.99 3.57 -1.80 -0.50 116.94 121.66 1jof h PHE 264 Ca -0.45 0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.08 1jof h PHE 264 Cb 1.29 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 40.15 1jof h PHE 264 CO 0.39 -0.28 -0.13 0.66 -2.23 0.00 0.00 178.31 176.72 1jof h SER 265 N 0.11 0.00 0.00 0.41 4.64 -1.92 -3.46 113.55 113.32 1jof h SER 265 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 1jof h SER 265 Cb 0.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1jof h SER 265 CO -0.73 0.13 0.00 0.61 -0.87 0.00 0.00 176.83 175.97 1jof n GLY 266 N 0.47 1.00 0.20 -0.77 0.00 -0.20 -4.88 105.19 101.01 1jof n GLY 266 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 1jof n GLY 266 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jof h LYS 267 N 3.59 0.00 0.00 1.61 1.57 -1.86 -3.44 116.57 118.05 1jof h LYS 267 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1jof h LYS 267 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1jof h LYS 267 CO 0.00 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.54 1jof n TYR 268 N -2.99 0.00 -3.66 -1.35 4.02 -1.26 0.04 117.16 111.96 1jof n TYR 268 Ca 0.03 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.77 1jof n TYR 268 Cb 0.53 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.77 1jof n TYR 268 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1jof s PHE 270 N -0.15 -0.41 0.08 -0.72 2.99 -0.31 -1.23 117.98 118.24 1jof s PHE 270 Ca 0.00 0.73 -0.07 0.00 0.00 0.00 0.00 56.93 57.58 1jof s PHE 270 Cb 0.00 0.23 -0.01 0.00 0.00 0.00 0.00 43.02 43.24 1jof s PHE 270 CO 0.00 -0.46 0.15 0.00 -0.00 0.00 0.00 175.22 174.91 1jof s ALA 271 N -1.08 -0.10 0.21 5.36 0.00 0.11 -0.74 121.76 125.51 1jof s ALA 271 Ca -0.11 -0.70 -0.07 0.00 0.00 0.00 0.00 51.96 51.07 1jof s ALA 271 Cb -0.03 0.44 -0.02 0.00 0.00 0.00 0.00 23.12 23.51 1jof s ALA 271 CO 0.06 -0.48 0.30 -1.54 0.00 0.00 0.00 175.76 174.10 1jof s SER 272 N -2.82 0.04 0.02 0.00 1.04 -0.58 0.10 113.70 111.49 1jof s SER 272 Ca 0.05 -1.09 -0.16 0.00 0.48 0.00 0.00 55.95 55.22 1jof s SER 272 Cb 0.05 0.47 0.03 0.00 0.10 0.00 0.00 66.02 66.67 1jof s SER 272 CO -0.10 -0.97 0.36 -0.94 0.98 0.00 0.00 173.24 172.56 1jof s SER 273 N -3.06 -0.22 0.27 7.02 1.04 -0.08 -0.07 113.70 118.60 1jof s SER 273 Ca 0.27 0.01 0.11 0.00 0.48 0.00 0.00 55.95 56.82 1jof s SER 273 Cb 0.03 0.37 -0.05 0.00 0.10 0.00 0.00 66.02 66.47 1jof s SER 273 CO 0.08 -0.57 -0.11 0.00 0.98 0.00 0.00 173.24 173.62 1jof s ARG 274 N -2.02 1.95 0.14 4.02 1.70 -0.50 -1.12 118.95 123.12 1jof s ARG 274 Ca -0.08 -1.62 -0.01 0.00 -0.47 0.00 0.00 55.73 53.55 1jof s ARG 274 Cb -0.02 -1.94 -0.04 0.00 -0.57 0.00 0.00 34.95 32.37 1jof s ARG 274 CO 0.00 0.34 0.32 0.00 -1.08 0.00 0.00 175.30 174.89 1jof s ALA 275 N -2.43 3.90 -2.21 7.88 0.00 0.39 -1.41 121.76 127.88 1jof s ALA 275 Ca 0.31 -0.81 0.29 0.00 0.00 0.00 0.00 51.96 51.74 1jof s ALA 275 Cb -0.06 -1.94 1.20 0.00 0.00 0.00 0.00 23.12 22.32 1jof s ALA 275 CO 0.17 0.61 1.83 0.09 0.00 0.00 0.00 175.76 178.46 1jof n ASN 276 N -0.24 1.03 -4.08 0.00 3.02 0.50 -4.47 115.26 111.02 1jof n ASN 276 Ca -0.05 -1.21 -0.21 0.00 -0.03 0.00 0.00 54.58 53.08 1jof n ASN 276 Cb 0.53 0.01 -0.15 0.00 -0.61 0.00 0.00 39.78 39.55 1jof n ASN 276 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1jof s LYS 277 N -2.12 1.04 0.56 3.52 1.02 -1.26 -5.04 119.74 117.46 1jof s LYS 277 Ca 0.37 -0.44 0.28 0.00 0.02 0.00 0.00 55.97 56.20 1jof s LYS 277 Cb 0.21 -1.00 1.67 0.00 -0.52 0.00 0.00 37.83 38.19 1jof s LYS 277 CO 0.38 0.25 2.19 0.74 -0.92 0.00 0.00 175.35 178.00 1jof h PHE 278 N 5.91 0.00 -0.00 3.18 -1.00 -1.98 -1.46 116.94 121.58 1jof h PHE 278 Ca -0.33 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.45 1jof h PHE 278 Cb 1.17 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.73 1jof h PHE 278 CO 0.41 0.04 -0.01 -0.85 -1.61 0.00 0.00 178.31 176.29 1jof n GLU 279 N -3.86 1.15 -4.05 1.51 0.00 -1.26 -4.53 120.64 109.60 1jof n GLU 279 Ca -0.03 -0.30 -0.29 0.00 0.00 0.00 0.00 57.16 56.55 1jof n GLU 279 Cb 0.13 -1.49 -0.06 0.00 0.00 0.00 0.00 31.44 30.02 1jof n GLU 279 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1jof s LEU 280 N -2.06 3.87 0.16 -1.84 1.43 -0.55 -5.06 118.68 114.63 1jof s LEU 280 Ca 0.43 -0.03 -0.17 0.00 -1.03 0.00 0.00 54.13 53.33 1jof s LEU 280 Cb 0.21 -2.51 -0.07 0.00 0.03 0.00 0.00 46.19 43.85 1jof s LEU 280 CO 0.37 0.12 0.61 -1.10 0.23 0.00 0.00 176.35 176.58 1jof s GLN 281 N -2.73 4.10 0.26 1.70 -0.21 -1.26 -3.19 119.66 118.34 1jof s GLN 281 Ca 0.31 0.65 -0.02 0.00 0.02 0.00 0.00 55.36 56.32 1jof s GLN 281 Cb -0.11 -2.97 0.06 0.00 1.00 0.00 0.00 33.01 30.98 1jof s GLN 281 CO 0.23 0.48 0.36 0.41 -2.12 0.00 0.00 175.29 174.65 1jof n GLY 282 N 0.93 0.07 3.06 3.09 0.00 -0.51 -4.49 105.19 107.34 1jof n GLY 282 Ca -0.05 -1.88 -0.09 0.00 0.00 0.00 0.00 46.02 44.00 1jof n GLY 282 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jof s TYR 283 N -1.20 0.32 -0.03 1.61 1.51 -0.28 -1.15 117.35 118.13 1jof s TYR 283 Ca 0.22 -0.69 0.03 0.00 -1.01 0.00 0.00 57.07 55.63 1jof s TYR 283 Cb -0.01 -0.23 -0.00 0.00 -0.11 0.00 0.00 41.96 41.60 1jof s TYR 283 CO 0.15 -0.31 -0.12 -1.50 -1.11 0.00 0.00 175.55 172.66 1jof s ILE 284 N -2.60 1.04 0.12 2.71 2.07 -0.22 -0.90 121.20 123.42 1jof s ILE 284 Ca -0.05 -0.52 0.05 0.00 -1.41 0.00 0.00 60.65 58.72 1jof s ILE 284 Cb -0.01 -0.90 -0.04 0.00 0.13 0.00 0.00 42.46 41.64 1jof s ILE 284 CO -0.05 0.31 -0.13 0.00 -1.91 0.00 0.00 174.94 173.16 1jof s ALA 285 N 0.01 1.45 0.03 1.50 0.00 0.29 -1.66 121.76 123.36 1jof s ALA 285 Ca -0.01 -1.31 0.05 0.00 0.00 0.00 0.00 51.96 50.68 1jof s ALA 285 Cb -0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 1jof s ALA 285 CO 0.01 0.05 -0.14 0.20 0.00 0.00 0.00 175.76 175.88 1jof s GLY 286 N -2.57 0.77 0.05 0.00 0.00 -0.89 -0.71 107.32 103.96 1jof s GLY 286 Ca 0.10 -0.78 0.03 0.00 0.00 0.00 0.00 44.72 44.07 1jof s GLY 286 CO 0.02 -0.73 -0.10 -1.36 0.00 0.00 0.00 173.10 170.93 1jof s PHE 287 N -0.73 0.86 -0.14 1.90 0.40 -1.26 -0.53 117.98 118.48 1jof s PHE 287 Ca 0.02 -0.51 -0.05 0.00 -0.60 0.00 0.00 56.93 55.80 1jof s PHE 287 Cb -0.07 -0.50 -0.04 0.00 0.51 0.00 0.00 43.02 42.92 1jof s PHE 287 CO 0.01 -0.04 0.04 0.21 0.70 0.00 0.00 175.22 176.14 1jof s LYS 288 N -1.74 3.54 -0.15 0.44 2.20 -0.68 -4.29 119.74 119.05 1jof s LYS 288 Ca -0.06 -0.35 -0.03 0.00 -0.36 0.00 0.00 55.97 55.17 1jof s LYS 288 Cb -0.09 -3.04 -0.02 0.00 -1.51 0.00 0.00 37.83 33.16 1jof s LYS 288 CO 0.01 0.49 -0.07 -0.51 -0.36 0.00 0.00 175.35 174.92 1jof s LEU 289 N -0.27 3.06 0.90 5.43 1.43 0.11 -0.27 118.68 129.07 1jof s LEU 289 Ca 0.08 -0.21 -0.11 0.00 -1.03 0.00 0.00 54.13 52.86 1jof s LEU 289 Cb -0.12 -1.73 0.13 0.00 0.03 0.00 0.00 46.19 44.51 1jof s LEU 289 CO 0.02 0.15 1.11 -0.13 0.23 0.00 0.00 176.35 177.73 1jof s ARG 290 N 0.44 1.18 0.45 1.70 0.52 -0.12 -4.76 118.95 118.37 1jof s ARG 290 Ca -0.06 1.22 0.14 0.00 -0.52 0.00 0.00 55.73 56.51 1jof s ARG 290 Cb -0.15 -1.77 1.03 0.00 0.52 0.00 0.00 34.95 34.58 1jof s ARG 290 CO 0.03 -2.41 2.01 -0.44 0.02 0.00 0.00 175.30 174.52 1jof h ASP 291 N -1.69 0.03 1.15 0.23 3.32 -1.96 -1.50 116.42 115.99 1jof h ASP 291 Ca -0.47 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1jof h ASP 291 Cb 1.27 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1jof h ASP 291 CO 0.48 0.17 0.00 0.00 -1.72 0.00 0.00 179.24 178.17 1jof n GLY 293 N 0.70 1.80 3.74 0.00 0.00 -0.57 -4.63 105.19 106.24 1jof n GLY 293 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1jof n GLY 293 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jof s SER 294 N -1.65 4.00 -0.31 1.61 1.04 -1.26 -4.67 113.70 112.46 1jof s SER 294 Ca 0.00 1.90 -0.24 0.00 0.48 0.00 0.00 55.95 58.08 1jof s SER 294 Cb 0.00 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.61 1jof s SER 294 CO 0.00 -2.37 0.84 -0.63 0.98 0.00 0.00 173.24 172.06 1jof s ILE 295 N -2.84 4.75 -0.01 -1.02 1.01 -1.26 -0.94 121.20 120.89 1jof s ILE 295 Ca 0.63 1.29 -0.25 0.00 0.00 0.00 0.00 60.65 62.32 1jof s ILE 295 Cb -0.19 -4.19 -0.19 0.00 0.01 0.00 0.00 42.46 37.90 1jof s ILE 295 CO 0.57 -0.28 1.28 -0.08 0.00 0.00 0.00 174.94 176.42 1jof h GLU 296 N 8.10 -0.11 -2.35 2.79 4.81 -0.97 -3.47 114.58 123.38 1jof h GLU 296 Ca -0.24 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.14 1jof h GLU 296 Cb 1.09 0.02 -0.12 0.00 0.63 0.00 0.00 28.75 30.38 1jof h GLU 296 CO 0.91 0.28 0.47 -1.59 -0.73 0.00 0.00 179.01 178.36 1jof s LYS 297 N -4.48 1.02 -0.24 1.92 -2.85 -1.21 -5.01 119.74 108.90 1jof s LYS 297 Ca -0.15 -0.48 -0.14 0.00 -1.00 0.00 0.00 55.97 54.20 1jof s LYS 297 Cb 0.02 0.41 -0.04 0.00 -2.06 0.00 0.00 37.83 36.16 1jof s LYS 297 CO 0.63 -0.46 0.33 -1.14 0.10 0.00 0.00 175.35 174.81 1jof s GLN 298 N -3.24 4.09 0.04 1.78 0.74 -1.26 -1.69 119.66 120.12 1jof s GLN 298 Ca 0.08 0.03 -0.06 0.00 0.05 0.00 0.00 55.36 55.46 1jof s GLN 298 Cb -0.01 -3.58 -0.30 0.00 1.10 0.00 0.00 33.01 30.22 1jof s GLN 298 CO -0.04 -0.11 0.99 -0.07 -0.55 0.00 0.00 175.29 175.52 1jof h LEU 299 N 7.99 0.50 -7.41 3.68 3.38 -1.15 -3.49 115.31 118.80 1jof h LEU 299 Ca -0.35 -0.59 0.05 0.00 0.09 0.00 0.00 57.88 57.08 1jof h LEU 299 Cb 1.16 -0.16 -0.10 0.00 0.09 0.00 0.00 40.66 41.65 1jof h LEU 299 CO 0.67 1.48 0.29 0.72 0.09 0.00 0.00 178.44 181.69 1jof s PHE 300 N -2.63 -0.35 -0.27 1.13 -0.12 -1.20 -4.96 117.98 109.59 1jof s PHE 300 Ca -0.07 0.05 -0.01 0.00 -0.05 0.00 0.00 56.93 56.85 1jof s PHE 300 Cb 0.06 0.62 0.15 0.00 -0.63 0.00 0.00 43.02 43.22 1jof s PHE 300 CO 0.88 -0.93 0.42 -1.17 -0.05 0.00 0.00 175.22 174.37 1jof s LEU 301 N -2.79 -0.82 0.09 -1.99 2.96 -1.26 -2.10 118.68 112.77 1jof s LEU 301 Ca 0.06 0.11 0.04 0.00 -0.22 0.00 0.00 54.13 54.12 1jof s LEU 301 Cb -0.03 1.28 -0.03 0.00 0.50 0.00 0.00 46.19 47.91 1jof s LEU 301 CO -0.04 -0.31 -0.12 -0.44 -1.32 0.00 0.00 176.35 174.12 1jof s SER 302 N 2.60 1.54 0.36 3.68 0.01 -0.67 -4.98 113.70 116.24 1jof s SER 302 Ca 0.13 -0.71 -0.27 0.00 1.31 0.00 0.00 55.95 56.40 1jof s SER 302 Cb -0.14 -0.02 -0.09 0.00 0.21 0.00 0.00 66.02 65.97 1jof s SER 302 CO -0.22 -0.17 1.23 -2.84 0.41 0.00 0.00 173.24 171.65 1jof s PRO 303 N -2.27 4.25 0.52 12.44 0.02 -1.26 -1.06 135.00 147.64 1jof s PRO 303 Ca 0.02 2.01 -0.01 0.00 0.02 0.00 0.00 61.00 63.04 1jof s PRO 303 Cb -0.06 -2.91 0.01 0.00 0.02 0.00 0.00 34.50 31.55 1jof s PRO 303 CO 0.01 -0.21 0.76 0.95 -0.33 0.00 0.00 177.00 178.19 1jof s THR 304 N -1.25 3.43 0.29 0.99 -4.23 -0.30 -4.82 115.64 109.74 1jof s THR 304 Ca 0.52 -0.45 -0.02 0.00 -1.18 0.00 0.00 61.69 60.56 1jof s THR 304 Cb -0.35 -3.30 0.21 0.00 1.34 0.00 0.00 72.50 70.40 1jof s THR 304 CO 0.46 -0.23 1.90 -0.65 -0.54 0.00 0.00 174.62 175.55 1jof h PRO 305 N 0.14 0.95 0.00 3.99 0.11 -1.96 -3.39 132.00 131.84 1jof h PRO 305 Ca -0.45 -0.12 -0.41 0.00 0.11 0.00 0.00 66.00 65.13 1jof h PRO 305 Cb 1.27 -0.18 -0.08 0.00 0.11 0.00 0.00 31.00 32.12 1jof h PRO 305 CO 0.56 0.73 -0.30 0.25 -0.21 0.00 0.00 178.00 179.03 1jof n THR 306 N -4.35 0.00 0.62 -1.15 -2.24 -1.26 -4.94 114.28 100.97 1jof n THR 306 Ca 0.06 -1.51 0.10 0.00 -2.27 0.00 0.00 64.05 60.44 1jof n THR 306 Cb 0.13 0.32 0.44 0.00 -2.10 0.00 0.00 70.33 69.11 1jof n THR 306 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1jof n SER 307 N -1.24 0.22 0.00 3.42 3.41 -1.19 -1.42 113.62 116.82 1jof n SER 307 Ca -0.12 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 1jof n SER 307 Cb 0.40 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 1jof n SER 307 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jof n GLY 308 N 0.54 3.05 7.00 5.00 0.00 -1.26 -0.46 105.19 119.06 1jof n GLY 308 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1jof n GLY 308 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jof n GLY 309 N -2.00 2.97 0.20 -0.02 0.00 -1.26 -0.91 105.19 104.17 1jof n GLY 309 Ca 0.00 -0.20 0.13 0.00 0.00 0.00 0.00 46.02 45.95 1jof n GLY 309 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1jof n HIS 310 N 13.48 0.00 0.00 1.61 8.25 -1.26 -4.73 115.22 132.56 1jof n HIS 310 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1jof n HIS 310 Cb 0.00 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 30.97 1jof n HIS 310 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1jof n SER 311 N -0.75 0.00 -0.79 0.41 2.88 -0.09 -4.95 113.62 110.33 1jof n SER 311 Ca 0.13 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.59 1jof n SER 311 Cb 0.32 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.77 1jof n SER 311 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1jof n ASN 312 N 0.00 -3.29 -4.71 -3.46 5.15 0.91 -4.68 115.26 105.18 1jof n ASN 312 Ca 0.00 0.07 -0.42 0.00 -0.60 0.00 0.00 54.58 53.63 1jof n ASN 312 Cb 0.00 -2.18 -0.03 0.00 -0.53 0.00 0.00 39.78 37.05 1jof n ASN 312 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1jof s ALA 313 N -2.36 3.50 0.07 5.20 0.00 -1.20 -4.69 121.76 122.29 1jof s ALA 313 Ca 0.00 0.94 -0.07 0.00 0.00 0.00 0.00 51.96 52.83 1jof s ALA 313 Cb 0.00 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 1jof s ALA 313 CO 0.00 -0.60 0.35 0.14 0.00 0.00 0.00 175.76 175.65 1jof s VAL 314 N 1.36 5.19 -0.34 0.00 -7.23 -1.26 -2.70 120.40 115.42 1jof s VAL 314 Ca 0.62 0.21 -0.00 0.00 -1.81 0.00 0.00 61.98 61.00 1jof s VAL 314 Cb -0.32 -3.61 0.13 0.00 0.56 0.00 0.00 36.38 33.14 1jof s VAL 314 CO 0.29 0.24 0.22 -0.55 -0.31 0.00 0.00 175.10 174.99 1jof s SER 315 N -1.96 2.74 0.56 4.85 0.15 0.16 -4.89 113.70 115.31 1jof s SER 315 Ca 0.34 -1.82 -0.21 0.00 0.70 0.00 0.00 55.95 54.95 1jof s SER 315 Cb -0.13 -0.19 -0.04 0.00 -1.71 0.00 0.00 66.02 63.94 1jof s SER 315 CO 0.20 -0.33 1.29 -2.84 1.20 0.00 0.00 173.24 172.75 1jof s PRO 316 N 1.42 3.12 0.09 5.44 0.02 -1.26 -1.46 135.00 142.36 1jof s PRO 316 Ca 0.15 2.06 -0.31 0.00 0.02 0.00 0.00 61.00 62.93 1jof s PRO 316 Cb -0.20 -2.16 -0.08 0.00 0.02 0.00 0.00 34.50 32.09 1jof s PRO 316 CO -0.10 -1.16 1.44 0.00 -0.33 0.00 0.00 177.00 176.86 1jof h PRO 318 N 7.16 0.00 -0.01 0.00 0.11 -1.91 -3.09 132.00 134.25 1jof h PRO 318 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1jof h PRO 318 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1jof h PRO 318 CO 0.88 0.03 -0.05 0.91 -0.21 0.00 0.00 178.00 179.56 1jof n TRP 319 N -3.31 0.00 -3.67 0.65 8.01 -1.26 -4.57 117.44 113.29 1jof n TRP 319 Ca -0.02 0.00 -0.13 0.00 -1.31 0.00 0.00 57.50 56.04 1jof n TRP 319 Cb 0.15 0.00 -0.08 0.00 -2.01 0.00 0.00 31.31 29.37 1jof n TRP 319 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 1jof s SER 320 N -1.08 -0.66 0.56 -0.99 0.15 -1.17 -4.98 113.70 105.53 1jof s SER 320 Ca 0.13 1.24 0.34 0.00 0.70 0.00 0.00 55.95 58.35 1jof s SER 320 Cb 0.10 1.23 1.51 0.00 -1.71 0.00 0.00 66.02 67.14 1jof s SER 320 CO 0.18 -0.21 2.04 0.44 1.20 0.00 0.00 173.24 176.88 1jof h ASP 321 N 5.46 0.00 -0.44 5.45 5.19 -1.95 -3.30 116.42 126.83 1jof h ASP 321 Ca -0.29 0.00 0.05 0.00 -0.62 0.00 0.00 57.03 56.18 1jof h ASP 321 Cb 1.17 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.66 1jof h ASP 321 CO 0.13 0.04 0.30 -0.08 -3.12 0.00 0.00 179.24 176.51 1jof h GLU 322 N 0.00 0.37 0.00 3.56 4.81 -1.93 -3.40 114.58 117.99 1jof h GLU 322 Ca -0.00 -0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.03 1jof h GLU 322 Cb 0.44 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 1jof h GLU 322 CO 0.00 0.24 -0.13 0.91 -0.73 0.00 0.00 179.01 179.31 1jof n TRP 323 N -4.48 0.12 -3.67 0.92 7.02 -1.24 -0.31 117.44 115.80 1jof n TRP 323 Ca 0.06 -0.70 -0.13 0.00 -1.02 0.00 0.00 57.50 55.71 1jof n TRP 323 Cb 0.23 -0.10 -0.07 0.00 -2.42 0.00 0.00 31.31 28.96 1jof n TRP 323 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1jof s ALA 325 N -2.24 -1.03 -0.04 6.99 0.00 -0.54 -1.60 121.76 123.30 1jof s ALA 325 Ca 0.01 0.38 -0.05 0.00 0.00 0.00 0.00 51.96 52.30 1jof s ALA 325 Cb -0.00 0.28 0.01 0.00 0.00 0.00 0.00 23.12 23.41 1jof s ALA 325 CO 0.01 -0.42 0.14 -1.50 0.00 0.00 0.00 175.76 173.99 1jof s ILE 326 N -2.22 0.02 0.16 0.00 2.07 -0.68 0.39 121.20 120.95 1jof s ILE 326 Ca -0.07 -0.17 0.09 0.00 -1.41 0.00 0.00 60.65 59.09 1jof s ILE 326 Cb -0.01 -0.26 -0.04 0.00 0.13 0.00 0.00 42.46 42.27 1jof s ILE 326 CO -0.01 -0.09 -0.20 0.42 -1.91 0.00 0.00 174.94 173.15 1jof s THR 327 N -0.27 1.94 0.03 4.00 -4.23 -1.10 -1.58 115.64 114.43 1jof s THR 327 Ca -0.04 -1.90 -0.06 0.00 -1.18 0.00 0.00 61.69 58.51 1jof s THR 327 Cb -0.03 -1.88 -0.01 0.00 1.34 0.00 0.00 72.50 71.93 1jof s THR 327 CO 0.00 -0.23 0.11 1.51 -0.54 0.00 0.00 174.62 175.47 1jof s ASP 328 N -2.57 0.14 -0.16 3.99 -4.77 -1.10 -0.06 116.67 112.14 1jof s ASP 328 Ca 0.16 -0.48 0.15 0.00 -3.30 0.00 0.00 52.55 49.08 1jof s ASP 328 Cb -0.07 0.23 0.35 0.00 -1.09 0.00 0.00 42.92 42.35 1jof s ASP 328 CO 0.07 -0.50 1.18 -0.90 0.70 0.00 0.00 175.17 175.72 1jof n ASP 329 N 0.82 1.90 -0.08 2.11 5.75 -1.17 -3.37 116.55 122.51 1jof n ASP 329 Ca -0.19 -3.44 -0.14 0.00 -0.01 0.00 0.00 54.79 51.01 1jof n ASP 329 Cb 0.58 -0.47 -0.08 0.00 -1.03 0.00 0.00 41.12 40.12 1jof n ASP 329 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 1jof h GLN 330 N 0.55 0.00 0.00 0.11 4.15 -1.83 -3.42 115.11 114.67 1jof h GLN 330 Ca -0.01 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 1jof h GLN 330 Cb 1.04 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.73 1jof h GLN 330 CO 0.00 0.61 -1.58 0.39 -1.93 0.00 0.00 178.83 176.33 1jof n GLU 331 N -4.55 0.79 -0.71 1.69 1.02 -1.26 -5.04 120.64 112.57 1jof n GLU 331 Ca -0.18 -0.08 0.00 0.00 -0.02 0.00 0.00 57.16 56.87 1jof n GLU 331 Cb 0.46 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.61 1jof n GLU 331 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jof n GLY 332 N 1.95 1.03 3.93 0.62 0.00 -1.22 -4.71 105.19 106.79 1jof n GLY 332 Ca -0.06 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 1jof n GLY 332 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jof s TRP 333 N -2.27 3.50 -0.26 1.61 0.52 -1.22 -0.82 118.94 119.99 1jof s TRP 333 Ca 0.00 0.25 0.03 0.00 0.02 0.00 0.00 56.10 56.40 1jof s TRP 333 Cb 0.00 -1.77 0.06 0.00 -1.15 0.00 0.00 33.47 30.61 1jof s TRP 333 CO 0.00 0.53 -0.10 -1.17 0.02 0.00 0.00 176.95 176.23 1jof s LEU 334 N -2.81 3.48 0.11 2.99 1.98 -0.50 -2.70 118.68 121.23 1jof s LEU 334 Ca 0.36 -1.43 0.06 0.00 -2.89 0.00 0.00 54.13 50.23 1jof s LEU 334 Cb -0.12 -1.54 -0.04 0.00 0.66 0.00 0.00 46.19 45.15 1jof s LEU 334 CO 0.28 -0.20 -0.02 -1.61 -1.89 0.00 0.00 176.35 172.91 1jof s GLU 335 N 1.10 2.43 -0.09 1.98 2.02 -0.61 -1.59 118.70 123.93 1jof s GLU 335 Ca -0.08 -0.93 0.02 0.00 0.02 0.00 0.00 54.97 54.00 1jof s GLU 335 Cb -0.20 -2.45 0.01 0.00 0.10 0.00 0.00 34.13 31.59 1jof s GLU 335 CO -0.05 0.52 -0.14 0.42 0.02 0.00 0.00 175.26 176.02 1jof s ILE 336 N -1.37 1.34 0.22 -1.63 1.01 0.93 -1.68 121.20 120.02 1jof s ILE 336 Ca 0.25 -0.57 0.08 0.00 0.00 0.00 0.00 60.65 60.42 1jof s ILE 336 Cb -0.11 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.09 1jof s ILE 336 CO 0.17 0.41 0.01 -0.31 0.00 0.00 0.00 174.94 175.22 1jof s TYR 337 N 0.89 2.78 -0.06 3.97 1.51 -1.26 -1.14 117.35 124.04 1jof s TYR 337 Ca -0.09 -0.18 0.01 0.00 -1.01 0.00 0.00 57.07 55.79 1jof s TYR 337 Cb -0.15 -1.28 -0.03 0.00 -0.11 0.00 0.00 41.96 40.38 1jof s TYR 337 CO 0.01 0.57 -0.06 0.50 -1.11 0.00 0.00 175.55 175.45 1jof s ARG 338 N -3.35 2.74 -0.33 -0.62 3.52 0.59 -4.35 118.95 117.15 1jof s ARG 338 Ca 0.29 -0.56 -0.07 0.00 -0.13 0.00 0.00 55.73 55.26 1jof s ARG 338 Cb -0.08 -2.60 0.03 0.00 -1.56 0.00 0.00 34.95 30.74 1jof s ARG 338 CO 0.19 0.66 0.11 -0.46 -0.81 0.00 0.00 175.30 174.99 1jof s TRP 339 N -0.85 3.21 -0.02 5.12 -0.00 0.58 -1.65 118.94 125.32 1jof s TRP 339 Ca 0.13 -1.19 -0.00 0.00 -0.00 0.00 0.00 56.10 55.04 1jof s TRP 339 Cb -0.11 -2.29 0.03 0.00 -0.00 0.00 0.00 33.47 31.10 1jof s TRP 339 CO 0.03 -0.66 0.04 0.21 -0.00 0.00 0.00 176.95 176.56 1jof s LYS 340 N 1.46 -0.04 -1.46 5.86 2.47 -0.59 -4.50 119.74 122.94 1jof s LYS 340 Ca 0.00 0.23 -0.12 0.00 -1.56 0.00 0.00 55.97 54.52 1jof s LYS 340 Cb -0.19 -0.29 0.09 0.00 -1.46 0.00 0.00 37.83 35.98 1jof s LYS 340 CO 0.03 -0.20 0.70 -0.25 0.16 0.00 0.00 175.35 175.80 1jof n ASP 341 N 4.38 -4.14 -3.23 1.43 8.00 -1.26 -1.54 116.55 120.19 1jof n ASP 341 Ca -0.24 -0.61 -0.23 0.00 0.71 0.00 0.00 54.79 54.42 1jof n ASP 341 Cb 0.50 -3.37 0.04 0.00 -0.02 0.00 0.00 41.12 38.27 1jof n ASP 341 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1jof n GLU 342 N -4.15 -5.41 -4.04 -1.24 1.02 -1.26 -5.00 120.64 100.55 1jof n GLU 342 Ca 0.02 0.83 -0.13 0.00 -0.02 0.00 0.00 57.16 57.86 1jof n GLU 342 Cb 0.53 -5.72 -0.12 0.00 -0.02 0.00 0.00 31.44 26.11 1jof n GLU 342 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1jof s PHE 343 N -3.19 0.46 -0.11 -0.32 0.40 -0.59 -4.99 117.98 109.65 1jof s PHE 343 Ca 0.40 -0.36 -0.02 0.00 -0.60 0.00 0.00 56.93 56.34 1jof s PHE 343 Cb -0.18 -0.29 -0.03 0.00 0.51 0.00 0.00 43.02 43.03 1jof s PHE 343 CO 0.49 -0.08 -0.02 -1.17 0.70 0.00 0.00 175.22 175.13 1jof s LEU 344 N -1.07 3.39 -0.07 -0.37 2.96 -1.26 -1.55 118.68 120.71 1jof s LEU 344 Ca -0.08 0.02 -0.05 0.00 -0.22 0.00 0.00 54.13 53.81 1jof s LEU 344 Cb -0.07 -1.78 0.03 0.00 0.50 0.00 0.00 46.19 44.87 1jof s LEU 344 CO -0.00 0.31 0.17 -1.38 -1.32 0.00 0.00 176.35 174.13 1jof s HIS 345 N -0.46 -0.20 0.27 5.38 -3.43 -0.66 -4.97 115.29 111.22 1jof s HIS 345 Ca 0.08 0.52 -0.29 0.00 -0.80 0.00 0.00 55.06 54.56 1jof s HIS 345 Cb -0.12 0.01 -0.10 0.00 -1.43 0.00 0.00 32.58 30.95 1jof s HIS 345 CO 0.02 -0.14 1.27 0.50 -2.00 0.00 0.00 174.74 174.39 1jof s ARG 346 N 0.64 4.43 0.00 -0.38 3.52 -1.26 -0.30 118.95 125.60 1jof s ARG 346 Ca -0.05 2.07 0.00 0.00 -0.13 0.00 0.00 55.73 57.62 1jof s ARG 346 Cb -0.06 -3.14 0.00 0.00 -1.56 0.00 0.00 34.95 30.18 1jof s ARG 346 CO -0.03 -0.14 0.00 1.33 -0.81 0.00 0.00 175.30 175.65 1jof n VAL 347 N 1.63 0.00 -3.51 7.11 0.24 -0.29 -4.87 118.33 118.64 1jof n VAL 347 Ca 0.02 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.22 1jof n VAL 347 Cb 0.43 0.43 -0.03 0.00 -1.47 0.00 0.00 33.84 33.20 1jof n VAL 347 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jof s ALA 348 N -1.82 -1.81 -0.03 2.33 0.00 -1.11 -4.63 121.76 114.69 1jof s ALA 348 Ca 0.00 1.07 -0.29 0.00 0.00 0.00 0.00 51.96 52.74 1jof s ALA 348 Cb 0.00 0.24 0.11 0.00 0.00 0.00 0.00 23.12 23.47 1jof s ALA 348 CO 0.00 -0.60 0.92 -0.98 0.00 0.00 0.00 175.76 175.09 1jof s ARG 349 N -2.68 0.77 -0.06 0.00 1.70 -1.26 -0.05 118.95 117.37 1jof s ARG 349 Ca 0.02 -0.24 -0.12 0.00 -0.47 0.00 0.00 55.73 54.91 1jof s ARG 349 Cb -0.01 0.35 0.02 0.00 -0.57 0.00 0.00 34.95 34.75 1jof s ARG 349 CO -0.06 -0.33 0.29 0.54 -1.08 0.00 0.00 175.30 174.66 1jof s VAL 350 N -2.88 0.03 -0.12 4.99 0.11 -0.62 -4.59 120.40 117.32 1jof s VAL 350 Ca 0.04 -0.27 -0.03 0.00 -2.93 0.00 0.00 61.98 58.79 1jof s VAL 350 Cb -0.01 -0.51 -0.03 0.00 -1.53 0.00 0.00 36.38 34.29 1jof s VAL 350 CO -0.08 -0.15 0.00 -0.60 -3.33 0.00 0.00 175.10 170.95 1jof s ARG 351 N -0.64 3.38 -0.32 1.54 3.52 -1.26 -1.42 118.95 123.75 1jof s ARG 351 Ca -0.07 -0.42 0.03 0.00 -0.13 0.00 0.00 55.73 55.13 1jof s ARG 351 Cb -0.04 -2.91 0.09 0.00 -1.56 0.00 0.00 34.95 30.52 1jof s ARG 351 CO 0.02 0.49 0.01 0.42 -0.81 0.00 0.00 175.30 175.43 1jof s ILE 352 N -0.29 2.36 -1.05 4.11 1.01 -0.00 -5.00 121.20 122.34 1jof s ILE 352 Ca 0.06 -2.07 0.00 0.00 0.00 0.00 0.00 60.65 58.64 1jof s ILE 352 Cb -0.12 -2.61 0.00 0.00 0.01 0.00 0.00 42.46 39.74 1jof s ILE 352 CO 0.02 -0.41 0.00 -2.65 0.00 0.00 0.00 174.94 171.90 1jof n PRO 353 N 4.35 0.00 -3.66 2.79 -0.02 -1.26 -4.70 135.00 132.49 1jof n PRO 353 Ca -0.03 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.21 1jof n PRO 353 Cb 0.42 -0.94 -0.02 0.00 -0.02 0.00 0.00 33.50 32.94 1jof n PRO 353 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1jof s GLU 354 N -1.05 3.49 0.15 -0.52 0.41 -1.26 -5.03 118.70 114.89 1jof s GLU 354 Ca 0.00 -0.44 -0.33 0.00 -0.41 0.00 0.00 54.97 53.79 1jof s GLU 354 Cb 0.00 -2.80 -0.13 0.00 -1.78 0.00 0.00 34.13 29.42 1jof s GLU 354 CO 0.00 0.33 1.67 -2.30 -0.49 0.00 0.00 175.26 174.47 1jof n PRO 355 N -1.18 2.40 -1.27 0.39 -0.02 -1.26 -1.69 135.00 132.37 1jof n PRO 355 Ca -0.06 0.87 -0.09 0.00 -2.02 0.00 0.00 63.50 62.20 1jof n PRO 355 Cb 0.55 -2.68 -0.04 0.00 -0.02 0.00 0.00 33.50 31.32 1jof n PRO 355 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jof n GLY 356 N 3.73 0.88 3.74 -1.23 0.00 -1.26 -4.43 105.19 106.61 1jof n GLY 356 Ca 0.17 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1jof n GLY 356 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jof s PHE 357 N -1.79 3.25 0.00 1.61 5.36 -0.68 -0.92 117.98 124.81 1jof s PHE 357 Ca 0.00 1.23 0.00 0.00 -0.96 0.00 0.00 56.93 57.20 1jof s PHE 357 Cb 0.00 -3.61 0.00 0.00 -0.34 0.00 0.00 43.02 39.07 1jof s PHE 357 CO 0.00 -1.88 0.00 0.41 -1.46 0.00 0.00 175.22 172.29 1jof n GLY 358 N 2.27 1.42 3.87 13.12 0.00 -1.19 -3.89 105.19 120.78 1jof n GLY 358 Ca 0.06 -0.86 -0.33 0.00 0.00 0.00 0.00 46.02 44.89 1jof n GLY 358 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jof s ASN 360 N 0.00 6.64 -0.02 1.61 4.22 -1.26 -3.33 114.94 122.80 1jof s ASN 360 Ca 0.00 0.90 0.05 0.00 -2.14 0.00 0.00 52.86 51.67 1jof s ASN 360 Cb 0.00 -2.22 -0.03 0.00 1.28 0.00 0.00 41.25 40.29 1jof s ASN 360 CO 0.00 -0.01 -0.16 0.00 -2.04 0.00 0.00 177.10 174.89 1jof s ALA 361 N -1.71 2.62 0.00 3.54 0.00 -1.26 -3.56 121.76 121.39 1jof s ALA 361 Ca 0.44 -1.05 0.05 0.00 0.00 0.00 0.00 51.96 51.40 1jof s ALA 361 Cb -0.12 -0.87 -0.02 0.00 0.00 0.00 0.00 23.12 22.11 1jof s ALA 361 CO 0.21 0.56 -0.17 0.96 0.00 0.00 0.00 175.76 177.32 1jof s ILE 362 N -0.79 1.35 -0.12 0.00 -4.36 -1.26 -4.80 121.20 111.22 1jof s ILE 362 Ca 0.13 -0.82 -0.19 0.00 -0.26 0.00 0.00 60.65 59.50 1jof s ILE 362 Cb -0.11 -1.14 -0.04 0.00 1.25 0.00 0.00 42.46 42.42 1jof s ILE 362 CO 0.02 0.31 0.53 0.26 0.24 0.00 0.00 174.94 176.30 1jof s TRP 363 N -0.51 3.50 -0.12 1.37 0.52 -1.26 -4.33 118.94 118.12 1jof s TRP 363 Ca 0.06 0.94 0.02 0.00 0.02 0.00 0.00 56.10 57.14 1jof s TRP 363 Cb -0.07 -2.62 0.01 0.00 -1.15 0.00 0.00 33.47 29.64 1jof s TRP 363 CO -0.00 0.11 -0.17 -0.47 0.02 0.00 0.00 176.95 176.44 1jof s TYR 364 N 0.81 2.19 0.00 -1.98 5.04 -0.57 -5.00 117.35 117.84 1jof s TYR 364 Ca 0.28 -1.05 0.00 0.00 -2.44 0.00 0.00 57.07 53.85 1jof s TYR 364 Cb -0.16 -1.55 0.00 0.00 0.35 0.00 0.00 41.96 40.61 1jof s TYR 364 CO 0.12 -0.52 0.00 -0.25 -1.34 0.00 0.00 175.55 173.56