#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 4.37 0.22 2.45 1.43 -1.26 -2.25 118.68 123.64 1jof s LEU 2 Ca 0.00 0.66 0.05 0.00 -1.03 0.00 0.00 54.13 53.81 1jof s LEU 2 Cb 0.00 -2.78 -0.05 0.00 0.03 0.00 0.00 46.19 43.39 1jof s LEU 2 CO 0.00 0.23 -0.05 -1.00 0.23 0.00 0.00 176.35 175.76 1jof s HIS 3 N -1.32 1.62 0.00 0.29 3.76 -0.06 -4.97 115.29 114.60 1jof s HIS 3 Ca 0.29 -0.80 0.01 0.00 -0.15 0.00 0.00 55.06 54.42 1jof s HIS 3 Cb -0.14 -0.89 -0.01 0.00 1.11 0.00 0.00 32.58 32.66 1jof s HIS 3 CO 0.17 0.10 -0.04 -1.01 -0.85 0.00 0.00 174.74 173.11 1jof s HIS 4 N -3.25 0.37 0.00 1.40 3.76 -0.97 -1.08 115.29 115.51 1jof s HIS 4 Ca 0.26 -0.11 0.00 0.00 -0.15 0.00 0.00 55.06 55.06 1jof s HIS 4 Cb 0.04 -0.24 0.00 0.00 1.11 0.00 0.00 32.58 33.49 1jof s HIS 4 CO 0.08 -0.02 0.00 1.28 -0.85 0.00 0.00 174.74 175.23 1jof n LEU 5 N 2.83 0.00 0.00 0.89 4.32 0.26 -1.69 117.00 123.61 1jof n LEU 5 Ca -0.14 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.85 1jof n LEU 5 Cb 0.58 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.38 1jof n LEU 5 CO 0.25 0.00 0.00 -0.38 -1.22 0.00 0.00 177.39 176.04 1jof n ILE 7 N 0.00 0.00 -3.09 -0.08 -0.00 -0.28 -0.13 119.36 115.78 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 3.40 3.14 7.39 0.00 -1.23 -1.46 105.19 116.15 1jof n GLY 8 Ca 0.00 -2.12 -0.09 0.00 0.00 0.00 0.00 46.02 43.81 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 0.63 0.48 -0.74 2.61 -4.23 -0.21 -3.21 115.64 110.96 1jof s THR 9 Ca 0.00 -1.88 0.25 0.00 -1.18 0.00 0.00 61.69 58.88 1jof s THR 9 Cb 0.00 -1.62 0.05 0.00 1.34 0.00 0.00 72.50 72.27 1jof s THR 9 CO 0.00 -0.92 1.38 1.87 -0.54 0.00 0.00 174.62 176.41 1jof n TRP 10 N 0.02 0.40 -4.05 3.99 -0.00 -0.09 -2.91 117.44 114.80 1jof n TRP 10 Ca -0.13 0.12 -0.08 0.00 -0.00 0.00 0.00 57.50 57.41 1jof n TRP 10 Cb 0.61 -0.55 -0.10 0.00 -0.00 0.00 0.00 31.31 31.26 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 -3.12 0.20 0.77 5.87 2.01 -1.26 -4.98 115.64 115.12 1jof s THR 11 Ca 0.08 -1.49 -0.11 0.00 0.31 0.00 0.00 61.69 60.48 1jof s THR 11 Cb 0.15 -1.07 0.05 0.00 0.01 0.00 0.00 72.50 71.64 1jof s THR 11 CO 0.71 -0.81 1.10 -2.84 -0.69 0.00 0.00 174.62 172.09 1jof s PRO 12 N -3.02 2.23 0.29 4.92 0.02 -1.26 -4.46 135.00 133.71 1jof s PRO 12 Ca -0.01 1.26 -0.28 0.00 0.02 0.00 0.00 61.00 61.98 1jof s PRO 12 Cb 0.01 -1.89 -0.09 0.00 0.02 0.00 0.00 34.50 32.55 1jof s PRO 12 CO -0.07 -1.68 1.01 -1.25 -0.33 0.00 0.00 177.00 174.69 1jof s PRO 13 N -4.71 4.65 0.38 5.54 0.04 -1.26 -4.79 135.00 134.85 1jof s PRO 13 Ca 0.63 1.59 -0.27 0.00 0.04 0.00 0.00 61.00 62.99 1jof s PRO 13 Cb -0.19 -3.08 -0.10 0.00 0.04 0.00 0.00 34.50 31.17 1jof s PRO 13 CO 0.53 0.29 1.34 0.20 0.04 0.00 0.00 177.00 179.40 1jof s GLY 14 N -1.18 2.95 -0.13 0.56 0.00 -0.73 -4.88 107.32 103.92 1jof s GLY 14 Ca 0.46 1.32 -0.30 0.00 0.00 0.00 0.00 44.72 46.19 1jof s GLY 14 CO 0.34 1.94 0.94 0.00 0.00 0.00 0.00 173.10 176.32 1jof s ALA 15 N -1.19 -1.90 -0.18 3.20 0.00 -1.26 -3.16 121.76 117.27 1jof s ALA 15 Ca 0.54 1.48 -0.02 0.00 0.00 0.00 0.00 51.96 53.96 1jof s ALA 15 Cb -0.40 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.23 1jof s ALA 15 CO 0.53 -0.36 -0.09 0.42 0.00 0.00 0.00 175.76 176.26 1jof s ILE 16 N -1.36 3.13 -0.16 0.00 1.01 0.02 -4.42 121.20 119.42 1jof s ILE 16 Ca -0.02 -0.60 -0.08 0.00 0.00 0.00 0.00 60.65 59.94 1jof s ILE 16 Cb -0.00 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 1jof s ILE 16 CO 0.02 0.48 0.13 -0.36 0.00 0.00 0.00 174.94 175.21 1jof s PHE 17 N 0.99 3.50 -0.29 3.97 0.40 -0.54 -0.62 117.98 125.39 1jof s PHE 17 Ca -0.01 0.42 -0.07 0.00 -0.60 0.00 0.00 56.93 56.67 1jof s PHE 17 Cb -0.15 -2.05 0.00 0.00 0.51 0.00 0.00 43.02 41.34 1jof s PHE 17 CO -0.01 0.51 0.08 0.99 0.70 0.00 0.00 175.22 177.49 1jof s THR 18 N -0.33 4.06 -0.10 0.64 2.01 0.52 -1.12 115.64 121.32 1jof s THR 18 Ca 0.11 -0.58 -0.03 0.00 0.31 0.00 0.00 61.69 61.50 1jof s THR 18 Cb -0.12 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 1jof s THR 18 CO 0.01 0.13 0.04 -0.69 -0.69 0.00 0.00 174.62 173.42 1jof s VAL 19 N 1.53 4.61 -0.16 3.82 1.01 0.82 -0.73 120.40 131.29 1jof s VAL 19 Ca 0.03 -0.13 -0.06 0.00 0.00 0.00 0.00 61.98 61.83 1jof s VAL 19 Cb -0.17 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 1jof s VAL 19 CO 0.03 0.60 0.03 -1.58 0.00 0.00 0.00 175.10 174.17 1jof s GLN 20 N -0.80 3.78 -0.18 2.72 0.74 0.76 -0.58 119.66 126.10 1jof s GLN 20 Ca 0.12 -0.40 0.01 0.00 0.05 0.00 0.00 55.36 55.14 1jof s GLN 20 Cb -0.12 -3.08 0.02 0.00 1.10 0.00 0.00 33.01 30.93 1jof s GLN 20 CO 0.03 0.32 -0.20 0.12 -0.55 0.00 0.00 175.29 175.00 1jof s PHE 21 N 0.21 2.78 -0.43 1.67 5.36 -0.24 -1.85 117.98 125.48 1jof s PHE 21 Ca 0.02 -1.65 -0.19 0.00 -0.96 0.00 0.00 56.93 54.16 1jof s PHE 21 Cb -0.13 -1.92 0.03 0.00 -0.34 0.00 0.00 43.02 40.66 1jof s PHE 21 CO 0.01 -0.81 0.52 0.34 -1.46 0.00 0.00 175.22 173.82 1jof s ASP 22 N 1.29 6.24 0.00 6.13 -1.08 -0.81 -0.88 116.67 127.56 1jof s ASP 22 Ca 0.05 -0.59 0.25 0.00 -0.52 0.00 0.00 52.55 51.74 1jof s ASP 22 Cb -0.13 -2.26 1.43 0.00 -1.46 0.00 0.00 42.92 40.50 1jof s ASP 22 CO -0.13 -0.67 1.84 -0.90 0.52 0.00 0.00 175.17 175.83 1jof n ASP 23 N 5.85 0.00 -0.13 -0.34 5.68 -0.95 0.06 116.55 126.72 1jof n ASP 23 Ca -0.05 -0.63 -0.27 0.00 -0.50 0.00 0.00 54.79 53.33 1jof n ASP 23 Cb 0.47 -0.06 -0.10 0.00 -1.14 0.00 0.00 41.12 40.30 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 -1.06 0.57 0.09 0.11 1.02 -1.26 -4.44 120.64 115.66 1jof n GLU 24 Ca 0.17 0.24 0.12 0.00 -0.02 0.00 0.00 57.16 57.67 1jof n GLU 24 Cb 0.11 -1.45 0.27 0.00 -0.02 0.00 0.00 31.44 30.35 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 -0.85 0.00 -5.56 3.49 1.57 -1.94 -3.48 116.57 109.79 1jof h LYS 25 Ca -0.66 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 57.83 1jof h LYS 25 Cb 1.62 0.00 0.18 0.00 0.08 0.00 0.00 32.23 34.11 1jof h LYS 25 CO -0.38 0.00 -0.83 1.28 -0.57 0.00 0.00 179.45 178.95 1jof n LEU 26 N -2.23 -4.98 -4.32 2.94 4.77 0.11 -5.04 117.00 108.26 1jof n LEU 26 Ca 0.04 -0.69 -0.17 0.00 -0.03 0.00 0.00 56.01 55.16 1jof n LEU 26 Cb 0.44 -3.15 -0.10 0.00 -2.33 0.00 0.00 43.42 38.28 1jof n LEU 26 CO 0.34 0.21 -0.34 0.42 -1.33 0.00 0.00 177.39 176.69 1jof s THR 27 N -3.39 1.04 -0.02 -5.08 -4.23 -1.14 -4.41 115.64 98.41 1jof s THR 27 Ca 0.30 -2.04 0.03 0.00 -1.18 0.00 0.00 61.69 58.81 1jof s THR 27 Cb -0.04 -2.27 -0.00 0.00 1.34 0.00 0.00 72.50 71.52 1jof s THR 27 CO 0.74 -0.38 -0.11 0.00 -0.54 0.00 0.00 174.62 174.33 1jof s LYS 29 N -0.03 0.11 -0.07 0.00 3.01 -0.77 -4.76 119.74 117.23 1jof s LYS 29 Ca 0.00 0.20 -0.29 0.00 -1.01 0.00 0.00 55.97 54.86 1jof s LYS 29 Cb -0.07 -0.00 -0.02 0.00 -1.01 0.00 0.00 37.83 36.73 1jof s LYS 29 CO 0.00 -0.05 0.98 -1.17 0.51 0.00 0.00 175.35 175.62 1jof s LEU 30 N 0.34 4.29 0.00 3.17 2.96 -1.26 -0.17 118.68 128.00 1jof s LEU 30 Ca -0.02 1.55 0.03 0.00 -0.22 0.00 0.00 54.13 55.47 1jof s LEU 30 Cb -0.04 -3.53 0.03 0.00 0.50 0.00 0.00 46.19 43.15 1jof s LEU 30 CO -0.01 -0.37 0.65 2.30 -1.32 0.00 0.00 176.35 177.60 1jof n ILE 31 N 4.31 0.14 -3.62 6.68 -5.35 0.09 -4.93 119.36 116.67 1jof n ILE 31 Ca 0.07 -0.57 -0.01 0.00 -0.27 0.00 0.00 62.75 61.98 1jof n ILE 31 Cb 0.50 0.98 -0.06 0.00 -1.74 0.00 0.00 39.64 39.31 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 -0.33 0.26 -0.34 6.28 2.47 -1.14 -4.96 119.74 121.98 1jof s LYS 32 Ca 0.03 0.46 -0.01 0.00 -1.56 0.00 0.00 55.97 54.90 1jof s LYS 32 Cb 0.02 0.07 0.08 0.00 -1.46 0.00 0.00 37.83 36.55 1jof s LYS 32 CO 0.03 -0.06 0.07 0.50 0.16 0.00 0.00 175.35 176.06 1jof s ARG 33 N 1.31 2.09 -0.26 4.03 3.52 -1.26 -0.35 118.95 128.02 1jof s ARG 33 Ca -0.08 -1.58 -0.18 0.00 -0.13 0.00 0.00 55.73 53.76 1jof s ARG 33 Cb -0.03 -3.31 -0.03 0.00 -1.56 0.00 0.00 34.95 30.03 1jof s ARG 33 CO -0.13 -0.84 0.52 0.99 -0.81 0.00 0.00 175.30 175.03 1jof s THR 34 N 1.14 5.07 0.36 4.11 2.01 0.20 -4.93 115.64 123.59 1jof s THR 34 Ca 0.02 0.88 -0.26 0.00 0.31 0.00 0.00 61.69 62.63 1jof s THR 34 Cb -0.21 -3.83 -0.09 0.00 0.01 0.00 0.00 72.50 68.38 1jof s THR 34 CO -0.04 0.08 1.12 -0.70 -0.69 0.00 0.00 174.62 174.40 1jof s GLU 35 N 2.32 4.27 0.19 4.92 2.12 -1.26 -0.80 118.70 130.46 1jof s GLU 35 Ca 0.21 1.76 -0.02 0.00 0.36 0.00 0.00 54.97 57.29 1jof s GLU 35 Cb -0.16 -2.82 -0.04 0.00 0.26 0.00 0.00 34.13 31.38 1jof s GLU 35 CO 0.09 -0.11 0.13 0.96 -0.54 0.00 0.00 175.26 175.80 1jof s ILE 36 N -1.39 0.02 -0.36 -3.70 -4.36 -1.19 -4.89 121.20 105.33 1jof s ILE 36 Ca 0.53 -1.95 -0.34 0.00 -0.26 0.00 0.00 60.65 58.64 1jof s ILE 36 Cb -0.29 -2.39 -0.14 0.00 1.25 0.00 0.00 42.46 40.89 1jof s ILE 36 CO 0.37 -0.10 1.26 -2.65 0.24 0.00 0.00 174.94 174.07 1jof n PRO 37 N -0.24 0.00 -0.37 0.37 -0.02 -1.26 -4.43 135.00 129.06 1jof n PRO 37 Ca 0.00 0.00 0.28 0.00 -2.02 0.00 0.00 63.50 61.76 1jof n PRO 37 Cb 0.65 -1.09 0.55 0.00 -0.02 0.00 0.00 33.50 33.59 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 4.35 0.27 -0.50 -0.52 -0.00 -1.96 0.67 115.11 117.43 1jof h GLN 38 Ca -0.26 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.37 1jof h GLN 38 Cb 1.01 -0.06 0.00 0.00 -0.00 0.00 0.00 27.48 28.43 1jof h GLN 38 CO 0.73 0.18 0.00 -0.40 -0.00 0.00 0.00 178.83 179.35 1jof n ASP 39 N -4.73 4.98 -2.58 0.06 5.75 -1.26 -1.77 116.55 116.99 1jof n ASP 39 Ca 0.30 -2.84 -0.27 0.00 -0.01 0.00 0.00 54.79 51.98 1jof n ASP 39 Cb 1.08 -0.61 -0.01 0.00 -1.03 0.00 0.00 41.12 40.55 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 0.41 3.38 -1.89 0.11 1.02 0.23 -4.72 120.64 119.17 1jof n GLU 40 Ca 0.25 -4.58 -0.38 0.00 -0.02 0.00 0.00 57.16 52.43 1jof n GLU 40 Cb 1.04 -2.24 0.03 0.00 -0.02 0.00 0.00 31.44 30.25 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 -3.52 3.17 -0.41 3.49 0.04 -1.26 -4.78 135.00 131.73 1jof s PRO 41 Ca 0.48 2.09 -0.12 0.00 0.04 0.00 0.00 61.00 63.49 1jof s PRO 41 Cb 0.37 -2.21 0.04 0.00 0.04 0.00 0.00 34.50 32.75 1jof s PRO 41 CO -0.18 -1.12 0.27 0.42 0.04 0.00 0.00 177.00 176.43 1jof s ILE 42 N -1.39 4.78 -0.87 0.56 1.01 -1.22 -4.25 121.20 119.83 1jof s ILE 42 Ca 0.72 -0.93 0.26 0.00 0.00 0.00 0.00 60.65 60.70 1jof s ILE 42 Cb -0.37 -3.74 0.14 0.00 0.01 0.00 0.00 42.46 38.51 1jof s ILE 42 CO 0.43 -0.35 1.63 -1.54 0.00 0.00 0.00 174.94 175.11 1jof n SER 43 N 5.06 0.45 -3.63 3.58 3.41 -0.81 -1.05 113.62 120.62 1jof n SER 43 Ca -0.11 0.23 -0.11 0.00 -0.26 0.00 0.00 58.87 58.62 1jof n SER 43 Cb 0.45 -0.21 -0.05 0.00 -0.26 0.00 0.00 64.21 64.14 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 -3.06 -0.22 0.00 7.33 -0.11 -1.24 -4.47 118.94 117.17 1jof s TRP 44 Ca 0.11 -0.05 0.00 0.00 1.22 0.00 0.00 56.10 57.38 1jof s TRP 44 Cb 0.16 0.26 0.00 0.00 -1.50 0.00 0.00 33.47 32.39 1jof s TRP 44 CO 0.63 -0.68 0.00 -2.37 -4.62 0.00 0.00 176.95 169.91 1jof n THR 46 N -0.11 0.00 -3.28 5.86 5.66 -0.68 -0.31 114.28 121.42 1jof n THR 46 Ca -0.16 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.57 1jof n THR 46 Cb 0.63 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.39 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 0.41 1.09 0.40 -1.26 -0.99 117.98 119.13 1jof s PHE 47 Ca 0.00 0.51 -0.05 0.00 -0.60 0.00 0.00 56.93 56.79 1jof s PHE 47 Cb 0.00 -2.02 0.09 0.00 0.51 0.00 0.00 43.02 41.60 1jof s PHE 47 CO 0.00 0.10 0.56 -0.40 0.70 0.00 0.00 175.22 176.18 1jof n ASP 48 N -1.49 0.21 0.31 1.36 5.75 -0.97 -4.71 116.55 117.01 1jof n ASP 48 Ca -0.03 -1.30 0.20 0.00 -0.01 0.00 0.00 54.79 53.65 1jof n ASP 48 Cb 0.55 -0.41 1.02 0.00 -1.03 0.00 0.00 41.12 41.25 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 -1.10 0.00 -0.17 2.11 2.07 -1.87 -2.40 115.15 113.79 1jof h HIS 49 Ca -0.18 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.34 1jof h HIS 49 Cb 0.54 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.52 1jof h HIS 49 CO 0.00 0.01 0.00 0.39 -3.07 0.00 0.00 177.93 175.26 1jof n GLU 50 N -3.22 2.79 -2.70 5.12 1.02 -1.26 -4.97 120.64 117.42 1jof n GLU 50 Ca -0.02 -1.95 -0.19 0.00 -0.02 0.00 0.00 57.16 54.98 1jof n GLU 50 Cb 0.14 -1.23 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 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 -0.17 -2.85 0.00 3.49 1.74 -0.90 -4.82 116.66 113.14 1jof n ARG 51 Ca 0.08 0.77 0.11 0.00 -0.77 0.00 0.00 57.85 58.04 1jof n ARG 51 Cb 0.42 -5.47 -0.06 0.00 -1.02 0.00 0.00 32.46 26.33 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 -3.28 0.15 -4.02 5.56 5.02 -1.26 -4.80 118.16 115.52 1jof n LYS 52 Ca -0.15 -0.03 -0.09 0.00 -2.02 0.00 0.00 58.31 56.02 1jof n LYS 52 Cb 0.63 -1.52 -0.11 0.00 -0.02 0.00 0.00 35.03 34.01 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 -3.40 0.41 -0.10 4.39 0.01 -1.26 0.51 114.94 115.51 1jof s ASN 53 Ca 0.05 -0.63 0.03 0.00 -0.71 0.00 0.00 52.86 51.60 1jof s ASN 53 Cb 0.16 0.11 0.01 0.00 0.41 0.00 0.00 41.25 41.93 1jof s ASN 53 CO 0.84 -0.36 -0.20 -0.63 -1.51 0.00 0.00 177.10 175.25 1jof s ILE 54 N -2.06 1.76 -0.01 0.60 1.01 0.16 -2.28 121.20 120.38 1jof s ILE 54 Ca -0.09 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 59.75 1jof s ILE 54 Cb -0.06 -1.55 -0.03 0.00 0.01 0.00 0.00 42.46 40.83 1jof s ILE 54 CO -0.03 0.49 -0.05 -0.31 0.00 0.00 0.00 174.94 175.04 1jof s TYR 55 N 0.54 2.94 0.03 3.97 4.12 -0.16 -0.45 117.35 128.34 1jof s TYR 55 Ca -0.15 -0.00 0.02 0.00 0.02 0.00 0.00 57.07 56.95 1jof s TYR 55 Cb -0.17 -1.64 -0.02 0.00 -1.52 0.00 0.00 41.96 38.62 1jof s TYR 55 CO 0.05 0.39 -0.06 0.20 0.02 0.00 0.00 175.55 176.15 1jof s GLY 56 N -1.37 0.38 -0.52 0.71 0.00 -0.13 -1.68 107.32 104.71 1jof s GLY 56 Ca 0.17 -0.60 -0.23 0.00 0.00 0.00 0.00 44.72 44.06 1jof s GLY 56 CO 0.07 -0.63 0.85 0.00 0.00 0.00 0.00 173.10 173.39 1jof s ALA 57 N -1.10 3.23 0.00 3.20 0.00 0.58 -2.20 121.76 125.46 1jof s ALA 57 Ca -0.09 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.58 1jof s ALA 57 Cb -0.08 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.43 1jof s ALA 57 CO 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 175.76 173.54 1jof n ALA 58 N 7.06 1.98 0.00 0.00 0.00 -1.26 -1.93 120.51 126.36 1jof n ALA 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jof n ALA 58 Cb 0.47 0.40 0.00 0.00 0.00 0.00 0.00 19.45 20.32 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 -2.29 0.00 -4.46 0.00 4.76 -1.26 -4.60 118.16 110.31 1jof n LYS 60 Ca 0.00 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.22 1jof n LYS 60 Cb 0.46 -0.22 -0.10 0.00 -1.84 0.00 0.00 35.03 33.32 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 -0.11 1.63 -0.32 1.97 -0.14 -1.26 -3.76 119.74 117.75 1jof s LYS 61 Ca 0.00 -1.85 0.02 0.00 -1.36 0.00 0.00 55.97 52.78 1jof s LYS 61 Cb 0.00 -1.19 0.08 0.00 -1.68 0.00 0.00 37.83 35.05 1jof s LYS 61 CO 0.00 -0.01 0.01 -1.58 -0.76 0.00 0.00 175.35 173.02 1jof s TRP 62 N -3.01 3.55 0.26 3.18 0.52 0.47 -4.64 118.94 119.26 1jof s TRP 62 Ca 0.32 -2.64 0.03 0.00 0.02 0.00 0.00 56.10 53.82 1jof s TRP 62 Cb 0.05 -2.58 -0.03 0.00 -1.15 0.00 0.00 33.47 29.76 1jof s TRP 62 CO 0.13 -0.92 0.41 -1.54 0.02 0.00 0.00 176.95 175.06 1jof s SER 63 N 1.09 6.33 -0.04 2.95 1.04 -0.93 -0.83 113.70 123.30 1jof s SER 63 Ca 0.03 0.24 0.02 0.00 0.48 0.00 0.00 55.95 56.72 1jof s SER 63 Cb -0.20 -1.94 0.01 0.00 0.10 0.00 0.00 66.02 64.00 1jof s SER 63 CO -0.06 -0.12 -0.08 -0.55 0.98 0.00 0.00 173.24 173.42 1jof s SER 64 N -3.79 1.15 -0.01 7.02 0.15 0.10 -0.96 113.70 117.36 1jof s SER 64 Ca 0.36 -0.18 0.02 0.00 0.70 0.00 0.00 55.95 56.86 1jof s SER 64 Cb -0.10 -0.45 -0.00 0.00 -1.71 0.00 0.00 66.02 63.76 1jof s SER 64 CO 0.31 0.01 -0.07 -0.36 1.20 0.00 0.00 173.24 174.33 1jof s PHE 65 N 0.54 0.70 0.04 3.44 0.40 0.40 -0.93 117.98 122.58 1jof s PHE 65 Ca -0.08 -0.14 -0.17 0.00 -0.60 0.00 0.00 56.93 55.93 1jof s PHE 65 Cb -0.12 -0.47 -0.06 0.00 0.51 0.00 0.00 43.02 42.88 1jof s PHE 65 CO 0.01 -0.03 0.50 0.00 0.70 0.00 0.00 175.22 176.40 1jof s ALA 66 N -0.09 3.63 -0.24 5.36 0.00 -0.27 0.35 121.76 130.50 1jof s ALA 66 Ca 0.02 -0.08 0.02 0.00 0.00 0.00 0.00 51.96 51.92 1jof s ALA 66 Cb -0.04 -2.53 0.06 0.00 0.00 0.00 0.00 23.12 20.60 1jof s ALA 66 CO -0.00 0.42 -0.11 0.08 0.00 0.00 0.00 175.76 176.15 1jof s VAL 67 N -1.03 2.00 -0.04 0.00 1.01 0.18 -0.89 120.40 121.62 1jof s VAL 67 Ca 0.27 -1.46 0.02 0.00 0.00 0.00 0.00 61.98 60.81 1jof s VAL 67 Cb -0.18 -2.11 -0.25 0.00 0.00 0.00 0.00 36.38 33.83 1jof s VAL 67 CO 0.16 0.01 0.66 0.07 0.00 0.00 0.00 175.10 176.01 1jof h LYS 68 N 7.83 0.16 -2.84 2.72 2.10 -1.38 -3.43 116.57 121.72 1jof h LYS 68 Ca -0.21 -0.27 0.07 0.00 -2.00 0.00 0.00 60.65 58.23 1jof h LYS 68 Cb 1.06 0.10 -0.04 0.00 -0.90 0.00 0.00 32.23 32.45 1jof h LYS 68 CO 0.47 0.92 0.32 -1.54 -2.00 0.00 0.00 179.45 177.62 1jof s SER 69 N -6.67 -0.13 0.56 7.07 1.04 -1.21 -4.98 113.70 109.37 1jof s SER 69 Ca -0.11 -0.77 0.28 0.00 0.48 0.00 0.00 55.95 55.84 1jof s SER 69 Cb 0.07 0.71 1.46 0.00 0.10 0.00 0.00 66.02 68.36 1jof s SER 69 CO 0.82 -1.36 1.95 -0.65 0.98 0.00 0.00 173.24 174.98 1jof h PRO 70 N 2.00 0.00 -0.07 4.02 0.11 -1.99 -1.49 132.00 134.58 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 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1jof h PRO 70 CO 0.31 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.35 1jof n THR 71 N -4.10 0.10 -3.96 -1.15 -2.24 -1.26 -4.79 114.28 96.88 1jof n THR 71 Ca 0.11 -0.55 -0.30 0.00 -2.27 0.00 0.00 64.05 61.03 1jof n THR 71 Cb 0.69 1.23 -0.14 0.00 -2.10 0.00 0.00 70.33 70.01 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 -1.25 1.80 -0.15 -0.78 2.02 -0.56 -5.03 118.70 114.76 1jof s GLU 72 Ca 0.19 -2.37 0.01 0.00 0.02 0.00 0.00 54.97 52.82 1jof s GLU 72 Cb 0.13 -3.25 0.02 0.00 0.10 0.00 0.00 34.13 31.13 1jof s GLU 72 CO 0.19 -1.06 -0.16 0.42 0.02 0.00 0.00 175.26 174.67 1jof s ILE 73 N 0.09 1.70 -0.15 -1.63 1.01 -1.26 -1.08 121.20 119.89 1jof s ILE 73 Ca 0.15 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 60.09 1jof s ILE 73 Cb -0.24 -1.57 0.01 0.00 0.01 0.00 0.00 42.46 40.67 1jof s ILE 73 CO -0.03 0.48 -0.20 -0.69 0.00 0.00 0.00 174.94 174.51 1jof s VAL 74 N 1.32 2.25 0.10 2.92 1.01 -0.07 -4.95 120.40 122.97 1jof s VAL 74 Ca 0.02 -0.91 -0.31 0.00 0.00 0.00 0.00 61.98 60.78 1jof s VAL 74 Cb -0.13 -1.92 -0.09 0.00 0.00 0.00 0.00 36.38 34.24 1jof s VAL 74 CO -0.09 0.54 1.74 -2.28 0.00 0.00 0.00 175.10 175.01 1jof s HIS 75 N 0.83 2.30 -0.04 5.22 2.46 -1.26 -1.12 115.29 123.69 1jof s HIS 75 Ca -0.06 0.15 0.03 0.00 0.47 0.00 0.00 55.06 55.66 1jof s HIS 75 Cb -0.15 -4.07 -0.05 0.00 -0.13 0.00 0.00 32.58 28.17 1jof s HIS 75 CO -0.02 -4.36 0.09 0.39 -2.47 0.00 0.00 174.74 168.37 1jof n GLU 76 N 5.59 1.32 -3.62 2.88 1.02 -0.10 -4.92 120.64 122.81 1jof n GLU 76 Ca 0.17 -0.02 -0.04 0.00 -0.02 0.00 0.00 57.16 57.25 1jof n GLU 76 Cb 0.39 -0.99 -0.03 0.00 -0.02 0.00 0.00 31.44 30.79 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 -2.04 -2.11 -0.19 0.62 0.00 -1.09 -4.97 121.76 111.97 1jof s ALA 77 Ca -0.01 1.74 -0.04 0.00 0.00 0.00 0.00 51.96 53.66 1jof s ALA 77 Cb 0.02 -0.50 0.09 0.00 0.00 0.00 0.00 23.12 22.73 1jof s ALA 77 CO 0.14 -0.50 0.24 -1.12 0.00 0.00 0.00 175.76 174.53 1jof s SER 78 N -1.85 1.08 0.14 0.00 0.01 -1.26 0.01 113.70 111.84 1jof s SER 78 Ca 0.09 -0.04 0.01 0.00 1.31 0.00 0.00 55.95 57.32 1jof s SER 78 Cb -0.01 0.51 -0.04 0.00 0.21 0.00 0.00 66.02 66.69 1jof s SER 78 CO -0.04 -0.31 0.30 -1.00 0.41 0.00 0.00 173.24 172.60 1jof s HIS 79 N 2.36 3.49 0.72 2.43 3.76 -0.01 -4.85 115.29 123.20 1jof s HIS 79 Ca 0.07 0.23 -0.10 0.00 -0.15 0.00 0.00 55.06 55.10 1jof s HIS 79 Cb -0.15 -1.75 0.04 0.00 1.11 0.00 0.00 32.58 31.82 1jof s HIS 79 CO -0.12 0.49 1.08 -1.25 -0.85 0.00 0.00 174.74 174.10 1jof s PRO 80 N -3.06 2.54 0.10 8.40 0.04 -1.26 -0.40 135.00 141.36 1jof s PRO 80 Ca 0.36 0.21 -0.30 0.00 0.04 0.00 0.00 61.00 61.31 1jof s PRO 80 Cb -0.12 -2.06 -0.06 0.00 0.04 0.00 0.00 34.50 32.31 1jof s PRO 80 CO 0.28 -1.17 1.14 0.42 0.04 0.00 0.00 177.00 177.72 1jof s ILE 81 N -3.35 4.04 0.46 0.56 1.01 -1.25 -4.76 121.20 117.90 1jof s ILE 81 Ca 0.59 1.57 0.06 0.00 0.00 0.00 0.00 60.65 62.87 1jof s ILE 81 Cb -0.11 -4.00 0.02 0.00 0.01 0.00 0.00 42.46 38.38 1jof s ILE 81 CO 0.49 0.18 0.63 -0.83 0.00 0.00 0.00 174.94 175.41 1jof s GLY 82 N 0.60 1.92 0.00 6.18 0.00 -1.26 -4.61 107.32 110.15 1jof s GLY 82 Ca 0.54 -1.59 0.00 0.00 0.00 0.00 0.00 44.72 43.67 1jof s GLY 82 CO 0.31 -1.38 0.00 0.61 0.00 0.00 0.00 173.10 172.64 1jof n GLY 83 N -1.98 0.98 3.75 0.20 0.00 -1.26 -4.88 105.19 101.99 1jof n GLY 83 Ca 0.08 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.66 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 3.30 0.21 1.61 5.65 -1.26 -4.93 115.29 119.87 1jof s HIS 84 Ca 0.00 1.37 -0.11 0.00 0.25 0.00 0.00 55.06 56.57 1jof s HIS 84 Cb 0.00 -3.53 0.27 0.00 -1.18 0.00 0.00 32.58 28.14 1jof s HIS 84 CO 0.00 -1.52 1.67 -1.35 -0.65 0.00 0.00 174.74 172.89 1jof h PRO 85 N 4.74 0.13 0.00 2.88 0.11 -1.94 -1.78 132.00 136.14 1jof h PRO 85 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1jof h PRO 85 Cb 1.22 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1jof h PRO 85 CO 0.73 0.09 0.00 0.54 -0.21 0.00 0.00 178.00 179.15 1jof n ARG 86 N -5.25 0.20 -0.25 1.05 1.74 -1.26 -3.69 116.66 109.20 1jof n ARG 86 Ca 0.08 0.12 0.18 0.00 -0.77 0.00 0.00 57.85 57.46 1jof n ARG 86 Cb 0.33 -1.50 0.49 0.00 -1.02 0.00 0.00 32.46 30.76 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 2.86 2.15 0.00 7.54 0.00 -1.56 -1.60 119.26 128.64 1jof h ALA 87 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1jof h ALA 87 Cb 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1jof h ALA 87 CO 0.00 -0.44 -0.56 0.09 0.00 0.00 0.00 179.25 178.34 1jof n ASN 88 N -4.53 0.57 -4.66 0.00 3.02 -1.24 -4.61 115.26 103.81 1jof n ASN 88 Ca 0.20 -0.03 -0.44 0.00 -0.03 0.00 0.00 54.58 54.27 1jof n ASN 88 Cb 0.68 0.19 -0.02 0.00 -0.61 0.00 0.00 39.78 40.02 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 -1.81 2.38 0.03 6.41 8.00 -0.60 -4.81 116.55 126.14 1jof n ASP 89 Ca 0.04 1.17 0.08 0.00 0.71 0.00 0.00 54.79 56.79 1jof n ASP 89 Cb 0.39 -1.41 0.33 0.00 -0.02 0.00 0.00 41.12 40.42 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 1.01 1.59 0.79 2.24 0.00 -1.26 -2.63 120.51 122.25 1jof n ALA 90 Ca 0.09 -0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.63 1jof n ALA 90 Cb 0.33 -1.25 0.28 0.00 0.00 0.00 0.00 19.45 18.81 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 -1.68 2.60 -4.64 0.00 5.68 -1.26 -4.91 116.55 112.33 1jof n ASP 91 Ca 0.03 -1.86 -0.29 0.00 -0.50 0.00 0.00 54.79 52.16 1jof n ASP 91 Cb 0.17 -0.16 -0.09 0.00 -1.14 0.00 0.00 41.12 39.90 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 -1.67 3.73 -2.02 2.12 -4.23 -1.08 -5.02 115.64 107.47 1jof s THR 92 Ca 0.35 -1.18 0.22 0.00 -1.18 0.00 0.00 61.69 59.90 1jof s THR 92 Cb 0.20 -2.79 0.61 0.00 1.34 0.00 0.00 72.50 71.86 1jof s THR 92 CO 0.29 0.07 1.83 -0.46 -0.54 0.00 0.00 174.62 175.80 1jof n ASN 93 N 0.47 0.08 -4.63 3.99 0.23 -1.26 -4.90 115.26 109.23 1jof n ASN 93 Ca -0.11 -1.34 -0.45 0.00 -0.53 0.00 0.00 54.58 52.15 1jof n ASN 93 Cb 0.53 -0.00 -0.02 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 -0.78 1.35 -3.84 5.53 -1.04 -1.26 -4.71 114.28 109.53 1jof n THR 94 Ca 0.16 -0.34 -0.12 0.00 -2.04 0.00 0.00 64.05 61.71 1jof n THR 94 Cb 0.09 -1.23 -0.13 0.00 -1.82 0.00 0.00 70.33 67.23 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 -0.91 0.10 -0.09 -2.82 3.52 -0.81 -4.78 118.95 113.16 1jof s ARG 95 Ca 0.65 0.13 -0.29 0.00 -0.13 0.00 0.00 55.73 56.08 1jof s ARG 95 Cb -0.69 0.04 -0.05 0.00 -1.56 0.00 0.00 34.95 32.68 1jof s ARG 95 CO 0.55 -0.02 1.68 0.00 -0.81 0.00 0.00 175.30 176.70 1jof s ALA 96 N 0.10 3.51 -0.07 6.12 0.00 -1.26 -0.06 121.76 130.10 1jof s ALA 96 Ca -0.00 0.86 0.04 0.00 0.00 0.00 0.00 51.96 52.85 1jof s ALA 96 Cb -0.01 -3.78 -0.07 0.00 0.00 0.00 0.00 23.12 19.26 1jof s ALA 96 CO -0.00 -1.57 -0.00 1.51 0.00 0.00 0.00 175.76 175.70 1jof n ILE 97 N 5.75 0.43 -3.91 0.00 0.13 -0.64 -4.28 119.36 116.85 1jof n ILE 97 Ca 0.18 -0.24 -0.10 0.00 -1.10 0.00 0.00 62.75 61.49 1jof n ILE 97 Cb 0.43 -0.82 -0.09 0.00 -0.84 0.00 0.00 39.64 38.32 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 0.14 -0.07 9.51 5.36 -1.16 -4.67 117.98 124.94 1jof s PHE 98 Ca -0.05 -0.38 -0.07 0.00 -0.96 0.00 0.00 56.93 55.48 1jof s PHE 98 Cb 0.02 -0.11 0.02 0.00 -0.34 0.00 0.00 43.02 42.61 1jof s PHE 98 CO 0.23 -0.34 0.20 -1.17 -1.46 0.00 0.00 175.22 172.68 1jof s LEU 99 N -1.86 1.19 -0.05 6.12 2.96 -1.26 -1.11 118.68 124.68 1jof s LEU 99 Ca -0.09 0.40 0.01 0.00 -0.22 0.00 0.00 54.13 54.23 1jof s LEU 99 Cb -0.04 0.67 0.02 0.00 0.50 0.00 0.00 46.19 47.34 1jof s LEU 99 CO -0.02 -0.08 -0.03 -0.22 -1.32 0.00 0.00 176.35 174.68 1jof s LEU 100 N 0.19 1.19 -0.30 -0.68 2.96 0.39 -4.87 118.68 117.57 1jof s LEU 100 Ca -0.01 -0.10 -0.08 0.00 -0.22 0.00 0.00 54.13 53.72 1jof s LEU 100 Cb -0.02 -0.41 0.00 0.00 0.50 0.00 0.00 46.19 46.27 1jof s LEU 100 CO -0.00 -0.08 0.11 0.00 -1.32 0.00 0.00 176.35 175.05 1jof s ALA 101 N 1.09 3.14 0.40 5.97 0.00 -1.26 -0.62 121.76 130.47 1jof s ALA 101 Ca -0.09 -1.44 -0.26 0.00 0.00 0.00 0.00 51.96 50.17 1jof s ALA 101 Cb -0.14 -2.24 -0.11 0.00 0.00 0.00 0.00 23.12 20.63 1jof s ALA 101 CO -0.01 -0.93 1.25 0.00 0.00 0.00 0.00 175.76 176.06 1jof n ALA 102 N 4.91 1.17 0.93 0.00 0.00 -0.49 -4.80 120.51 122.24 1jof n ALA 102 Ca -0.14 0.29 0.11 0.00 0.00 0.00 0.00 53.44 53.69 1jof n ALA 102 Cb 0.48 -2.24 0.04 0.00 0.00 0.00 0.00 19.45 17.73 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 0.19 1.67 -4.39 0.00 5.02 -1.26 -4.50 118.16 114.90 1jof n LYS 103 Ca 0.06 -1.35 -0.26 0.00 -2.02 0.00 0.00 58.31 54.74 1jof n LYS 103 Cb 0.38 -1.43 -0.11 0.00 -0.02 0.00 0.00 35.03 33.86 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 -2.13 1.69 0.37 1.97 -1.52 -1.26 -4.92 119.66 113.85 1jof s GLN 104 Ca 0.21 -1.49 -0.25 0.00 -1.95 0.00 0.00 55.36 51.88 1jof s GLN 104 Cb 0.18 -1.92 -0.12 0.00 -0.22 0.00 0.00 33.01 30.92 1jof s GLN 104 CO 0.42 0.40 0.91 -2.30 -0.25 0.00 0.00 175.29 174.47 1jof n PRO 105 N 0.08 1.16 -0.28 2.91 -0.02 -1.26 -0.78 135.00 136.81 1jof n PRO 105 Ca -0.11 0.41 0.01 0.00 -2.02 0.00 0.00 63.50 61.79 1jof n PRO 105 Cb 0.56 -1.83 0.11 0.00 -0.02 0.00 0.00 33.50 32.32 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 0.47 2.09 -2.92 0.52 -0.04 -1.26 -4.95 135.00 128.91 1jof n PRO 106 Ca 0.10 -0.94 -0.21 0.00 -0.04 0.00 0.00 63.50 62.41 1jof n PRO 106 Cb 0.36 -1.70 0.01 0.00 -0.04 0.00 0.00 33.50 32.14 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 0.17 -1.70 -1.09 0.54 4.02 0.04 -4.61 117.16 114.52 1jof n TYR 107 Ca 0.09 0.36 -0.30 0.00 -0.01 0.00 0.00 57.90 58.04 1jof n TYR 107 Cb 0.56 -3.82 0.16 0.00 -0.02 0.00 0.00 39.34 36.22 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 -3.02 1.25 -0.11 -0.72 0.00 -1.26 -4.57 121.76 113.34 1jof s ALA 108 Ca 0.24 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.17 1jof s ALA 108 Cb -0.11 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1jof s ALA 108 CO 0.29 -2.60 -0.23 0.08 0.00 0.00 0.00 175.76 173.31 1jof s VAL 109 N -2.87 2.15 -0.18 0.00 1.01 -0.12 -1.40 120.40 119.00 1jof s VAL 109 Ca 0.64 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 61.61 1jof s VAL 109 Cb -0.19 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 1jof s VAL 109 CO 0.58 0.55 -0.04 -0.31 0.00 0.00 0.00 175.10 175.88 1jof s TYR 110 N 0.41 2.98 0.09 5.22 1.51 0.20 -0.47 117.35 127.30 1jof s TYR 110 Ca -0.17 -0.54 0.07 0.00 -1.01 0.00 0.00 57.07 55.42 1jof s TYR 110 Cb -0.17 -2.01 -0.03 0.00 -0.11 0.00 0.00 41.96 39.63 1jof s TYR 110 CO 0.07 -0.24 -0.17 0.00 -1.11 0.00 0.00 175.55 174.10 1jof s ALA 111 N 0.80 1.52 -0.18 3.71 0.00 0.87 -0.46 121.76 128.02 1jof s ALA 111 Ca -0.01 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 50.79 1jof s ALA 111 Cb -0.15 -0.16 0.03 0.00 0.00 0.00 0.00 23.12 22.85 1jof s ALA 111 CO 0.02 0.24 -0.13 -0.80 0.00 0.00 0.00 175.76 175.09 1jof s ASN 112 N -1.94 3.13 0.83 0.00 0.01 -0.26 -0.87 114.94 115.83 1jof s ASN 112 Ca 0.04 -0.72 -0.12 0.00 -0.71 0.00 0.00 52.86 51.35 1jof s ASN 112 Cb -0.09 -1.27 0.09 0.00 0.41 0.00 0.00 41.25 40.39 1jof s ASN 112 CO 0.03 -0.09 1.14 -2.16 -1.51 0.00 0.00 177.10 174.51 1jof s PRO 113 N 1.40 1.83 0.15 -0.60 0.04 -1.26 -1.61 135.00 134.94 1jof s PRO 113 Ca 0.02 0.33 -0.03 0.00 0.04 0.00 0.00 61.00 61.36 1jof s PRO 113 Cb -0.15 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 1jof s PRO 113 CO -0.10 -1.73 0.12 0.12 0.04 0.00 0.00 177.00 175.45 1jof s PHE 114 N -3.36 0.79 0.00 0.56 5.36 0.91 -4.43 117.98 117.82 1jof s PHE 114 Ca 0.62 -1.15 0.00 0.00 -0.96 0.00 0.00 56.93 55.44 1jof s PHE 114 Cb -0.13 -0.39 0.00 0.00 -0.34 0.00 0.00 43.02 42.16 1jof s PHE 114 CO 0.52 -0.58 0.00 0.66 -1.46 0.00 0.00 175.22 174.36 1jof n TYR 115 N -0.14 0.00 -1.55 10.12 4.02 -1.26 -1.92 117.16 126.42 1jof n TYR 115 Ca -0.05 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.52 1jof n TYR 115 Cb 0.64 0.01 0.06 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 2.70 -1.47 -0.72 1.02 -1.26 -3.73 119.74 116.27 1jof s LYS 116 Ca 0.00 1.15 -0.05 0.00 0.02 0.00 0.00 55.97 57.09 1jof s LYS 116 Cb 0.00 -1.95 0.04 0.00 -0.52 0.00 0.00 37.83 35.40 1jof s LYS 116 CO 0.00 -1.30 0.58 1.19 -0.92 0.00 0.00 175.35 174.90 1jof n PHE 117 N -3.00 -1.76 -1.22 3.18 3.01 -1.26 -4.25 117.46 112.16 1jof n PHE 117 Ca 0.09 0.78 0.09 0.00 1.01 0.00 0.00 57.45 59.42 1jof n PHE 117 Cb 0.53 -3.69 0.15 0.00 -0.01 0.00 0.00 39.48 36.47 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 -4.42 2.57 0.53 4.37 0.00 -1.24 -4.52 120.51 117.81 1jof n ALA 118 Ca -0.20 -2.75 0.00 0.00 0.00 0.00 0.00 53.44 50.49 1jof n ALA 118 Cb 0.63 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.70 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 -1.33 0.83 3.10 0.00 0.00 -1.26 -4.58 105.19 101.95 1jof n GLY 119 Ca 0.16 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.82 0.43 0.24 1.61 1.51 -1.26 -1.26 117.35 117.80 1jof s TYR 120 Ca 0.00 -0.93 0.06 0.00 -1.01 0.00 0.00 57.07 55.19 1jof s TYR 120 Cb 0.00 -0.31 -0.03 0.00 -0.11 0.00 0.00 41.96 41.50 1jof s TYR 120 CO 0.00 -0.40 0.24 0.20 -1.11 0.00 0.00 175.55 174.48 1jof s GLY 121 N -2.79 1.40 -0.14 0.71 0.00 0.89 -4.38 107.32 103.00 1jof s GLY 121 Ca 0.05 -1.34 0.02 0.00 0.00 0.00 0.00 44.72 43.45 1jof s GLY 121 CO -0.09 -1.37 -0.21 -1.31 0.00 0.00 0.00 173.10 170.12 1jof s ASN 122 N -3.79 3.01 -0.15 1.64 0.02 -0.05 -2.78 114.94 112.84 1jof s ASN 122 Ca 0.33 -0.58 -0.03 0.00 -1.02 0.00 0.00 52.86 51.56 1jof s ASN 122 Cb -0.08 -1.40 -0.03 0.00 0.02 0.00 0.00 41.25 39.76 1jof s ASN 122 CO 0.26 0.06 -0.05 -0.69 0.02 0.00 0.00 177.10 176.70 1jof s VAL 123 N 0.88 3.79 -0.03 1.60 1.01 0.18 -0.09 120.40 127.75 1jof s VAL 123 Ca -0.06 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 61.59 1jof s VAL 123 Cb -0.15 -2.65 -0.01 0.00 0.00 0.00 0.00 36.38 33.56 1jof s VAL 123 CO -0.03 0.50 -0.23 -0.36 0.00 0.00 0.00 175.10 174.98 1jof s PHE 124 N 0.32 2.15 0.53 5.22 0.40 0.39 -1.14 117.98 125.85 1jof s PHE 124 Ca -0.05 -0.48 -0.03 0.00 -0.60 0.00 0.00 56.93 55.77 1jof s PHE 124 Cb -0.14 -1.39 0.01 0.00 0.51 0.00 0.00 43.02 42.00 1jof s PHE 124 CO 0.03 -0.09 0.80 -1.54 0.70 0.00 0.00 175.22 175.12 1jof s SER 125 N -0.40 5.64 0.21 1.36 1.04 -0.37 -0.94 113.70 120.23 1jof s SER 125 Ca 0.05 0.47 0.11 0.00 0.48 0.00 0.00 55.95 57.06 1jof s SER 125 Cb -0.10 -1.55 -0.05 0.00 0.10 0.00 0.00 66.02 64.42 1jof s SER 125 CO 0.00 -0.94 -0.21 0.68 0.98 0.00 0.00 173.24 173.75 1jof s VAL 126 N -2.81 2.22 1.02 5.02 -7.23 -1.26 -0.50 120.40 116.86 1jof s VAL 126 Ca 0.52 -2.11 -0.16 0.00 -1.81 0.00 0.00 61.98 58.42 1jof s VAL 126 Cb -0.10 -2.10 0.21 0.00 0.56 0.00 0.00 36.38 34.96 1jof s VAL 126 CO 0.42 -0.27 1.23 -0.94 -0.31 0.00 0.00 175.10 175.23 1jof s SER 127 N -2.92 2.55 0.66 4.85 1.04 0.07 -4.80 113.70 115.14 1jof s SER 127 Ca 0.22 0.49 0.42 0.00 0.48 0.00 0.00 55.95 57.55 1jof s SER 127 Cb -0.06 -0.67 2.30 0.00 0.10 0.00 0.00 66.02 67.68 1jof s SER 127 CO 0.10 -3.10 2.34 1.05 0.98 0.00 0.00 173.24 174.61 1jof h GLU 128 N -1.89 0.00 -0.02 4.02 9.09 -2.01 0.66 114.58 124.43 1jof h GLU 128 Ca -0.45 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.96 1jof h GLU 128 Cb 1.27 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.37 1jof h GLU 128 CO 0.41 0.00 -0.12 0.25 0.05 0.00 0.00 179.01 179.60 1jof n THR 129 N -3.22 0.00 -0.39 -1.06 -2.24 -1.26 -4.95 114.28 101.17 1jof n THR 129 Ca -0.03 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1jof n THR 129 Cb 0.09 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 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 0.79 3.78 3.38 0.00 0.22 -4.90 105.19 109.77 1jof n GLY 130 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.61 4.50 -0.18 1.61 2.20 -1.26 -4.67 119.74 121.33 1jof s LYS 131 Ca 0.00 1.44 -0.29 0.00 -0.36 0.00 0.00 55.97 56.76 1jof s LYS 131 Cb 0.00 -2.81 -0.06 0.00 -1.51 0.00 0.00 37.83 33.45 1jof s LYS 131 CO 0.00 0.18 2.19 1.28 -0.36 0.00 0.00 175.35 178.63 1jof n LEU 132 N 0.53 3.37 0.00 5.43 4.77 -1.26 -0.75 117.00 129.08 1jof n LEU 132 Ca 0.02 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1jof n LEU 132 Cb 0.49 -1.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.04 1jof n LEU 132 CO 0.46 -0.55 0.00 1.21 -1.33 0.00 0.00 177.39 177.18 1jof n GLU 133 N 8.54 0.00 -3.83 3.23 4.07 0.34 -4.88 120.64 128.10 1jof n GLU 133 Ca 0.29 0.32 -0.12 0.00 -0.06 0.00 0.00 57.16 57.58 1jof n GLU 133 Cb 0.43 -0.81 -0.10 0.00 -0.06 0.00 0.00 31.44 30.90 1jof n GLU 133 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 1jof s LYS 134 N -0.98 0.47 -0.62 5.31 2.20 -1.22 -4.97 119.74 119.93 1jof s LYS 134 Ca 0.00 -0.20 -0.28 0.00 -0.36 0.00 0.00 55.97 55.13 1jof s LYS 134 Cb 0.00 0.20 0.02 0.00 -1.51 0.00 0.00 37.83 36.54 1jof s LYS 134 CO 0.00 -0.11 1.37 1.21 -0.36 0.00 0.00 175.35 177.46 1jof s ASN 135 N -1.03 6.14 0.19 1.43 3.84 -1.26 -1.23 114.94 123.01 1jof s ASN 135 Ca -0.11 0.06 0.24 0.00 0.21 0.00 0.00 52.86 53.26 1jof s ASN 135 Cb -0.06 -2.55 0.43 0.00 -0.55 0.00 0.00 41.25 38.52 1jof s ASN 135 CO 0.02 -1.75 1.45 -0.37 -2.79 0.00 0.00 177.10 173.66 1jof h VAL 136 N 6.28 0.00 -1.69 -5.21 -1.51 -1.48 -3.48 116.25 109.15 1jof h VAL 136 Ca -0.27 -0.61 0.04 0.00 -1.23 0.00 0.00 66.70 64.63 1jof h VAL 136 Cb 1.08 1.35 -0.24 0.00 -2.13 0.00 0.00 31.29 31.34 1jof h VAL 136 CO 1.21 0.00 0.39 -1.58 -1.23 0.00 0.00 177.57 176.36 1jof s GLN 137 N -3.18 0.62 -0.47 5.19 0.74 -1.19 -5.01 119.66 116.36 1jof s GLN 137 Ca 0.07 0.56 0.03 0.00 0.05 0.00 0.00 55.36 56.07 1jof s GLN 137 Cb 0.12 0.30 0.13 0.00 1.10 0.00 0.00 33.01 34.66 1jof s GLN 137 CO 0.69 -0.11 0.24 -0.80 -0.55 0.00 0.00 175.29 174.76 1jof s ASN 138 N -0.10 4.07 0.18 6.67 0.01 -1.26 -0.64 114.94 123.86 1jof s ASN 138 Ca 0.01 -2.79 -0.24 0.00 -0.71 0.00 0.00 52.86 49.13 1jof s ASN 138 Cb -0.04 -1.38 -0.08 0.00 0.41 0.00 0.00 41.25 40.16 1jof s ASN 138 CO -0.02 -0.26 0.77 -0.72 -1.51 0.00 0.00 177.10 175.36 1jof s TYR 139 N 0.06 3.86 0.14 2.20 -0.85 -1.12 -4.81 117.35 116.84 1jof s TYR 139 Ca 0.17 1.60 -0.10 0.00 -0.52 0.00 0.00 57.07 58.22 1jof s TYR 139 Cb -0.25 -2.74 -0.06 0.00 0.38 0.00 0.00 41.96 39.28 1jof s TYR 139 CO -0.01 0.48 0.46 -1.83 -1.52 0.00 0.00 175.55 173.13 1jof s GLU 140 N -1.32 3.78 0.00 -3.49 -1.05 -1.26 -0.08 118.70 115.28 1jof s GLU 140 Ca 0.37 0.21 0.00 0.00 -0.15 0.00 0.00 54.97 55.40 1jof s GLU 140 Cb -0.22 -2.86 0.00 0.00 -0.44 0.00 0.00 34.13 30.61 1jof s GLU 140 CO 0.25 0.46 0.00 0.66 0.95 0.00 0.00 175.26 177.58 1jof n TYR 141 N 0.44 0.00 -3.83 4.83 4.02 -0.39 -4.95 117.16 117.29 1jof n TYR 141 Ca -0.04 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.75 1jof n TYR 141 Cb 0.52 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.77 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 1.17 0.79 0.52 -0.72 -2.07 -1.25 -5.03 119.66 113.07 1jof s GLN 142 Ca 0.00 -0.76 0.31 0.00 -1.82 0.00 0.00 55.36 53.09 1jof s GLN 142 Cb 0.00 0.33 1.45 0.00 -1.09 0.00 0.00 33.01 33.70 1jof s GLN 142 CO 0.00 -0.25 1.85 1.49 -1.32 0.00 0.00 175.29 177.06 1jof h GLU 143 N 3.06 0.06 0.00 9.60 4.81 -1.98 0.04 114.58 130.17 1jof h GLU 143 Ca -0.33 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.82 1jof h GLU 143 Cb 1.20 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 1jof h GLU 143 CO 0.51 0.04 -0.34 -0.97 -0.73 0.00 0.00 179.01 177.52 1jof h ASN 144 N 0.06 0.00 -3.32 1.04 -1.24 -1.96 -3.41 115.58 106.76 1jof h ASN 144 Ca 0.49 0.00 -0.56 0.00 0.71 0.00 0.00 56.30 56.94 1jof h ASN 144 Cb 1.85 0.00 0.18 0.00 0.73 0.00 0.00 38.32 41.08 1jof h ASN 144 CO -0.04 0.34 -0.25 0.41 -1.29 0.00 0.00 177.43 176.60 1jof n THR 145 N -3.30 2.26 -2.75 -3.57 -1.04 0.00 -4.05 114.28 101.83 1jof n THR 145 Ca 0.01 -0.42 -0.05 0.00 -2.04 0.00 0.00 64.05 61.55 1jof n THR 145 Cb 0.59 -0.84 0.03 0.00 -1.82 0.00 0.00 70.33 68.28 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 1.53 -0.44 3.74 3.41 0.00 -1.26 -4.39 105.19 107.79 1jof n GLY 146 Ca 0.11 0.40 -0.41 0.00 0.00 0.00 0.00 46.02 46.12 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 0.80 3.41 0.00 -0.61 -1.09 -1.26 -1.24 121.20 121.21 1jof s ILE 147 Ca 0.30 1.22 0.00 0.00 -2.23 0.00 0.00 60.65 59.95 1jof s ILE 147 Cb 0.09 -3.78 0.00 0.00 -1.58 0.00 0.00 42.46 37.19 1jof s ILE 147 CO -0.12 0.21 0.34 1.57 -1.23 0.00 0.00 174.94 175.72 1jof n HIS 148 N 2.21 0.00 -3.75 3.97 -0.00 -0.76 -4.77 115.22 112.12 1jof n HIS 148 Ca 0.04 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.21 1jof n HIS 148 Cb 0.44 0.00 -0.00 0.00 -0.12 0.00 0.00 29.99 30.31 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 -0.15 -0.23 0.00 1.57 0.00 -1.12 -4.74 107.32 102.65 1jof s GLY 149 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.97 1jof s GLY 149 CO 0.00 1.13 0.00 1.55 0.00 0.00 0.00 173.10 175.78 1jof n VAL 151 N -0.57 0.00 -3.52 1.40 3.14 -0.72 -0.58 118.33 117.48 1jof n VAL 151 Ca -0.05 0.00 -0.26 0.00 -2.96 0.00 0.00 64.34 61.07 1jof n VAL 151 Cb 0.61 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.37 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 3.49 0.65 1.45 0.40 -1.26 -0.98 117.98 120.27 1jof s PHE 152 Ca 0.00 0.38 -0.11 0.00 -0.60 0.00 0.00 56.93 56.60 1jof s PHE 152 Cb 0.00 -1.90 -0.02 0.00 0.51 0.00 0.00 43.02 41.61 1jof s PHE 152 CO 0.00 0.24 1.05 0.16 0.70 0.00 0.00 175.22 177.37 1jof s ASP 153 N -3.57 5.92 0.54 1.36 1.47 -0.85 -4.87 116.67 116.69 1jof s ASP 153 Ca 0.40 1.37 0.40 0.00 1.18 0.00 0.00 52.55 55.90 1jof s ASP 153 Cb -0.10 -2.34 1.59 0.00 -0.34 0.00 0.00 42.92 41.74 1jof s ASP 153 CO 0.32 -1.06 1.73 -0.65 0.68 0.00 0.00 175.17 176.19 1jof h PRO 154 N -0.45 0.01 0.00 2.11 0.11 -1.85 0.17 132.00 132.10 1jof h PRO 154 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1jof h PRO 154 Cb 1.21 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1jof h PRO 154 CO 0.62 0.01 -0.23 1.15 -0.21 0.00 0.00 178.00 179.34 1jof h THR 155 N 0.01 0.00 -5.09 -1.15 2.02 -1.95 -3.48 112.91 103.28 1jof h THR 155 Ca 0.69 -0.62 -0.31 0.00 0.77 0.00 0.00 66.41 66.93 1jof h THR 155 Cb 2.71 1.48 0.13 0.00 -1.74 0.00 0.00 68.15 70.73 1jof h THR 155 CO -0.03 0.00 -0.61 -0.62 0.37 0.00 0.00 175.52 174.64 1jof n GLU 156 N -2.42 -6.30 -0.01 6.66 1.02 0.59 -4.90 120.64 115.28 1jof n GLU 156 Ca 0.04 0.71 0.01 0.00 -0.02 0.00 0.00 57.16 57.90 1jof n GLU 156 Cb 0.46 -5.36 -0.06 0.00 -0.02 0.00 0.00 31.44 26.47 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 -4.23 0.18 -4.51 2.62 -1.04 -1.26 -4.75 114.28 101.28 1jof n THR 157 Ca -0.09 -0.21 -0.22 0.00 -2.04 0.00 0.00 64.05 61.48 1jof n THR 157 Cb 0.59 -0.11 -0.16 0.00 -1.82 0.00 0.00 70.33 68.83 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 -2.38 1.20 -0.18 -1.42 1.51 -1.26 -0.06 117.35 114.77 1jof s TYR 158 Ca -0.03 -0.35 -0.02 0.00 -1.01 0.00 0.00 57.07 55.66 1jof s TYR 158 Cb 0.04 -0.86 -0.01 0.00 -0.11 0.00 0.00 41.96 41.02 1jof s TYR 158 CO 0.29 -0.16 -0.10 -1.17 -1.11 0.00 0.00 175.55 173.31 1jof s LEU 159 N 0.30 2.73 -0.16 -1.29 2.96 0.25 -2.00 118.68 121.48 1jof s LEU 159 Ca -0.06 -0.40 -0.05 0.00 -0.22 0.00 0.00 54.13 53.41 1jof s LEU 159 Cb -0.11 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.89 1jof s LEU 159 CO 0.01 0.06 -0.01 -0.31 -1.32 0.00 0.00 176.35 174.78 1jof s TYR 160 N 1.01 3.10 -0.07 5.38 1.51 -0.15 -0.61 117.35 127.52 1jof s TYR 160 Ca -0.01 -0.15 0.04 0.00 -1.01 0.00 0.00 57.07 55.95 1jof s TYR 160 Cb -0.15 -1.98 -0.01 0.00 -0.11 0.00 0.00 41.96 39.71 1jof s TYR 160 CO -0.01 0.06 -0.21 -1.12 -1.11 0.00 0.00 175.55 173.16 1jof s SER 161 N 0.26 3.39 -0.48 2.29 0.01 -0.64 -1.76 113.70 116.77 1jof s SER 161 Ca -0.01 -0.43 -0.22 0.00 1.31 0.00 0.00 55.95 56.61 1jof s SER 161 Cb -0.13 -1.02 0.04 0.00 0.21 0.00 0.00 66.02 65.12 1jof s SER 161 CO 0.02 0.24 0.73 0.00 0.41 0.00 0.00 173.24 174.65 1jof s ALA 162 N -0.13 3.30 -0.62 1.44 0.00 0.26 -1.49 121.76 124.52 1jof s ALA 162 Ca -0.03 -1.29 -0.19 0.00 0.00 0.00 0.00 51.96 50.44 1jof s ALA 162 Cb -0.14 -3.44 0.10 0.00 0.00 0.00 0.00 23.12 19.64 1jof s ALA 162 CO 0.04 -2.00 0.76 0.34 0.00 0.00 0.00 175.76 174.90 1jof s ASP 163 N 2.36 6.21 0.00 0.00 -1.08 0.30 -1.83 116.67 122.63 1jof s ASP 163 Ca 0.24 -1.42 -0.25 0.00 -0.52 0.00 0.00 52.55 50.61 1jof s ASP 163 Cb -0.14 -2.32 -0.17 0.00 -1.46 0.00 0.00 42.92 38.82 1jof s ASP 163 CO 0.18 -1.15 1.27 0.25 0.52 0.00 0.00 175.17 176.24 1jof h LEU 164 N 10.15 -0.22 -0.51 -1.34 6.46 0.12 -1.42 115.31 128.55 1jof h LEU 164 Ca -0.27 -0.25 -0.09 0.00 -0.12 0.00 0.00 57.88 57.15 1jof h LEU 164 Cb 1.08 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 41.06 1jof h LEU 164 CO 1.11 0.15 -0.44 0.71 -0.62 0.00 0.00 178.44 179.35 1jof h THR 165 N -0.63 0.87 -0.01 1.05 1.35 -1.84 -3.03 112.91 110.67 1jof h THR 165 Ca -0.03 -1.86 0.00 0.00 -0.55 0.00 0.00 66.41 63.97 1jof h THR 165 Cb 0.46 2.17 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 1jof h THR 165 CO 0.04 0.43 -0.13 0.00 -0.25 0.00 0.00 175.52 175.62 1jof n ALA 166 N -2.26 2.81 -3.63 6.62 0.00 -1.24 -4.93 120.51 117.88 1jof n ALA 166 Ca 0.01 -0.49 -0.22 0.00 0.00 0.00 0.00 53.44 52.74 1jof n ALA 166 Cb 0.62 -1.07 0.04 0.00 0.00 0.00 0.00 19.45 19.04 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 0.07 -2.61 -3.56 0.00 5.15 -0.62 -4.93 115.26 108.75 1jof n ASN 167 Ca 0.15 -0.83 -0.10 0.00 -0.60 0.00 0.00 54.58 53.20 1jof n ASN 167 Cb 0.40 -4.14 -0.03 0.00 -0.53 0.00 0.00 39.78 35.48 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 -5.74 1.83 -0.13 1.20 -2.85 -0.68 -1.09 119.74 112.28 1jof s LYS 168 Ca 0.14 -1.36 0.02 0.00 -1.00 0.00 0.00 55.97 53.77 1jof s LYS 168 Cb -0.04 0.52 0.01 0.00 -2.06 0.00 0.00 37.83 36.27 1jof s LYS 168 CO 0.81 -0.80 -0.20 -0.51 0.10 0.00 0.00 175.35 174.75 1jof s LEU 169 N -3.06 1.99 0.15 2.77 1.43 0.23 -0.54 118.68 121.65 1jof s LEU 169 Ca 0.21 -0.55 0.03 0.00 -1.03 0.00 0.00 54.13 52.79 1jof s LEU 169 Cb -0.03 -1.34 -0.04 0.00 0.03 0.00 0.00 46.19 44.82 1jof s LEU 169 CO 0.12 0.06 0.25 0.26 0.23 0.00 0.00 176.35 177.27 1jof s TRP 170 N 0.85 3.40 -0.07 0.29 0.52 -0.55 -0.80 118.94 122.58 1jof s TRP 170 Ca -0.07 0.08 0.03 0.00 0.02 0.00 0.00 56.10 56.15 1jof s TRP 170 Cb -0.15 -1.62 0.01 0.00 -1.15 0.00 0.00 33.47 30.55 1jof s TRP 170 CO -0.01 0.52 -0.14 0.99 0.02 0.00 0.00 176.95 178.32 1jof s THR 171 N -1.75 1.27 0.12 2.01 2.01 0.72 -1.62 115.64 118.40 1jof s THR 171 Ca 0.34 -0.56 0.07 0.00 0.31 0.00 0.00 61.69 61.84 1jof s THR 171 Cb -0.11 -1.14 -0.04 0.00 0.01 0.00 0.00 72.50 71.22 1jof s THR 171 CO 0.27 0.38 -0.16 -1.00 -0.69 0.00 0.00 174.62 173.42 1jof s HIS 172 N 0.58 1.55 -0.14 4.92 3.76 0.22 -0.94 115.29 125.24 1jof s HIS 172 Ca -0.14 -0.50 -0.06 0.00 -0.15 0.00 0.00 55.06 54.21 1jof s HIS 172 Cb -0.16 -0.81 -0.04 0.00 1.11 0.00 0.00 32.58 32.68 1jof s HIS 172 CO 0.04 0.19 0.07 -0.98 -0.85 0.00 0.00 174.74 173.21 1jof s ARG 173 N -2.47 3.59 -0.29 1.40 3.03 0.77 -0.58 118.95 124.39 1jof s ARG 173 Ca 0.09 -0.30 -0.13 0.00 2.03 0.00 0.00 55.73 57.42 1jof s ARG 173 Cb -0.06 -3.10 -0.04 0.00 -1.03 0.00 0.00 34.95 30.72 1jof s ARG 173 CO 0.04 0.52 0.27 0.21 -1.13 0.00 0.00 175.30 175.21 1jof s LYS 174 N -0.32 3.86 0.80 3.89 2.20 0.92 -1.44 119.74 129.66 1jof s LYS 174 Ca 0.09 -0.27 -0.11 0.00 -0.36 0.00 0.00 55.97 55.31 1jof s LYS 174 Cb -0.12 -3.70 0.07 0.00 -1.51 0.00 0.00 37.83 32.58 1jof s LYS 174 CO 0.02 -0.28 1.09 -0.51 -0.36 0.00 0.00 175.35 175.30 1jof s LEU 175 N 1.88 2.64 0.46 5.43 1.43 0.18 -4.79 118.68 125.90 1jof s LEU 175 Ca 0.10 1.41 0.16 0.00 -1.03 0.00 0.00 54.13 54.77 1jof s LEU 175 Cb -0.16 -4.03 1.12 0.00 0.03 0.00 0.00 46.19 43.14 1jof s LEU 175 CO 0.11 -2.02 1.99 0.00 0.23 0.00 0.00 176.35 176.65 1jof h ALA 176 N -1.12 2.12 0.00 4.21 0.00 -1.98 -0.66 119.26 121.83 1jof h ALA 176 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1jof h ALA 176 Cb 1.26 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1jof h ALA 176 CO 0.58 -0.25 0.00 0.66 0.00 0.00 0.00 179.25 180.23 1jof h SER 177 N 0.31 0.00 0.00 0.00 4.64 -1.97 -3.42 113.55 113.11 1jof h SER 177 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1jof h SER 177 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1jof h SER 177 CO -0.06 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.51 1jof n GLY 178 N -0.53 2.30 3.82 -0.77 0.00 -0.25 -4.86 105.19 104.91 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 -0.75 3.66 0.45 1.61 2.02 -1.26 -4.71 118.70 119.72 1jof s GLU 179 Ca 0.00 1.09 0.07 0.00 0.02 0.00 0.00 54.97 56.15 1jof s GLU 179 Cb 0.00 -2.09 -0.01 0.00 0.10 0.00 0.00 34.13 32.13 1jof s GLU 179 CO 0.00 -0.52 0.35 0.14 0.02 0.00 0.00 175.26 175.25 1jof s VAL 180 N -2.51 2.29 -0.21 2.63 -7.23 -1.26 0.51 120.40 114.62 1jof s VAL 180 Ca 0.61 -1.45 -0.14 0.00 -1.81 0.00 0.00 61.98 59.19 1jof s VAL 180 Cb -0.13 -2.75 0.06 0.00 0.56 0.00 0.00 36.38 34.13 1jof s VAL 180 CO 0.33 0.00 0.54 -0.70 -0.31 0.00 0.00 175.10 174.96 1jof s GLU 181 N -4.13 0.56 0.35 4.82 2.12 -0.52 -4.90 118.70 117.00 1jof s GLU 181 Ca 0.43 0.92 -0.28 0.00 0.36 0.00 0.00 54.97 56.39 1jof s GLU 181 Cb -0.01 0.12 -0.10 0.00 0.26 0.00 0.00 34.13 34.40 1jof s GLU 181 CO 0.25 -0.13 1.36 -1.17 -0.54 0.00 0.00 175.26 175.03 1jof s LEU 182 N 1.15 4.39 -0.09 2.70 2.96 -1.26 -0.16 118.68 128.37 1jof s LEU 182 Ca -0.07 2.79 -0.04 0.00 -0.22 0.00 0.00 54.13 56.59 1jof s LEU 182 Cb -0.06 -3.67 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 1jof s LEU 182 CO -0.11 -0.65 -0.11 0.52 -1.32 0.00 0.00 176.35 174.68 1jof n VAL 183 N 0.67 0.49 -2.45 1.68 0.31 -0.11 -4.79 118.33 114.13 1jof n VAL 183 Ca 0.00 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1jof n VAL 183 Cb 0.41 -1.61 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 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 2.45 -1.36 3.38 2.92 0.00 -1.00 -4.99 105.19 106.59 1jof n GLY 184 Ca -0.18 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.98 -0.09 -0.01 1.61 1.04 -1.26 -0.20 113.70 111.81 1jof s SER 185 Ca 0.00 -0.64 -0.00 0.00 0.48 0.00 0.00 55.95 55.78 1jof s SER 185 Cb 0.00 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.60 1jof s SER 185 CO 0.00 -0.92 0.02 -0.69 0.98 0.00 0.00 173.24 172.62 1jof s VAL 186 N -3.90 -0.01 0.49 5.02 1.01 0.02 -4.96 120.40 118.07 1jof s VAL 186 Ca 0.11 0.04 -0.20 0.00 0.00 0.00 0.00 61.98 61.93 1jof s VAL 186 Cb 0.02 -0.04 -0.08 0.00 0.00 0.00 0.00 36.38 36.28 1jof s VAL 186 CO -0.04 0.01 1.03 -1.81 0.00 0.00 0.00 175.10 174.30 1jof s ASP 187 N 0.18 6.34 0.77 3.32 1.01 -1.26 -0.60 116.67 126.42 1jof s ASP 187 Ca -0.01 1.89 -0.14 0.00 0.71 0.00 0.00 52.55 55.00 1jof s ASP 187 Cb -0.02 -2.55 0.06 0.00 1.01 0.00 0.00 42.92 41.42 1jof s ASP 187 CO -0.01 -0.78 1.19 0.00 0.21 0.00 0.00 175.17 175.78 1jof s ALA 188 N -2.06 1.99 0.30 5.23 0.00 -0.25 -4.83 121.76 122.14 1jof s ALA 188 Ca 0.66 0.81 0.06 0.00 0.00 0.00 0.00 51.96 53.49 1jof s ALA 188 Cb -0.16 -3.46 0.77 0.00 0.00 0.00 0.00 23.12 20.27 1jof s ALA 188 CO 0.21 -2.07 1.73 -1.35 0.00 0.00 0.00 175.76 174.28 1jof h PRO 189 N -0.66 0.53 -6.06 0.00 0.11 -1.94 -3.42 132.00 120.56 1jof h PRO 189 Ca -0.47 -0.03 -0.56 0.00 0.11 0.00 0.00 66.00 65.05 1jof h PRO 189 Cb 1.29 -0.12 -0.24 0.00 0.11 0.00 0.00 31.00 32.04 1jof h PRO 189 CO 0.48 0.35 -0.83 0.34 -0.21 0.00 0.00 178.00 178.13 1jof s ASP 190 N -5.25 2.44 0.56 -2.05 -1.08 -1.26 -5.03 116.67 105.01 1jof s ASP 190 Ca -0.11 -0.58 0.25 0.00 -0.52 0.00 0.00 52.55 51.59 1jof s ASP 190 Cb 0.26 -0.18 1.57 0.00 -1.46 0.00 0.00 42.92 43.11 1jof s ASP 190 CO 0.79 0.12 2.17 -0.65 0.52 0.00 0.00 175.17 178.11 1jof h PRO 191 N 4.60 0.00 -0.58 4.34 0.11 -1.98 -1.86 132.00 136.63 1jof h PRO 191 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1jof h PRO 191 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1jof h PRO 191 CO 0.42 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.62 1jof n GLY 192 N -1.44 1.76 0.23 -0.55 0.00 -1.26 -4.57 105.19 99.37 1jof n GLY 192 Ca -0.01 -0.60 -0.08 0.00 0.00 0.00 0.00 46.02 45.33 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 3.05 -0.46 -4.37 1.61 3.32 -1.68 -2.50 116.42 115.40 1jof h ASP 193 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1jof h ASP 193 Cb 0.92 0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.59 1jof h ASP 193 CO 0.09 -0.13 -0.43 1.41 -1.72 0.00 0.00 179.24 178.46 1jof n HIS 194 N -4.59 -2.30 -1.68 4.55 8.25 -1.26 -1.07 115.22 117.12 1jof n HIS 194 Ca -0.07 0.97 -0.45 0.00 -0.26 0.00 0.00 57.72 57.91 1jof n HIS 194 Cb 0.21 -3.09 -0.04 0.00 1.12 0.00 0.00 29.99 28.19 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 -0.05 2.44 -0.01 -0.41 -0.02 -1.25 -0.34 135.00 135.36 1jof n PRO 195 Ca 0.04 0.89 -0.01 0.00 -2.02 0.00 0.00 63.50 62.40 1jof n PRO 195 Cb 0.17 -2.73 -0.02 0.00 -0.02 0.00 0.00 33.50 30.91 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 5.05 3.12 -3.83 -0.52 0.63 -0.32 -1.35 116.66 119.45 1jof n ARG 196 Ca 0.19 -0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 57.00 1jof n ARG 196 Cb 0.33 -1.05 -0.09 0.00 0.45 0.00 0.00 32.46 32.10 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 -2.06 -0.02 -0.00 -0.14 -0.11 -1.16 -2.80 118.94 112.64 1jof s TRP 197 Ca -0.01 -0.07 0.00 0.00 1.22 0.00 0.00 56.10 57.24 1jof s TRP 197 Cb 0.01 0.00 0.00 0.00 -1.50 0.00 0.00 33.47 31.98 1jof s TRP 197 CO 0.08 -0.37 -0.01 0.14 -4.62 0.00 0.00 176.95 172.17 1jof s VAL 198 N -1.80 0.05 0.00 5.86 -7.23 -1.26 -0.12 120.40 115.90 1jof s VAL 198 Ca -0.11 -0.02 0.00 0.00 -1.81 0.00 0.00 61.98 60.04 1jof s VAL 198 Cb -0.05 -0.06 0.00 0.00 0.56 0.00 0.00 36.38 36.84 1jof s VAL 198 CO 0.00 0.02 0.00 0.00 -0.31 0.00 0.00 175.10 174.81 1jof n ALA 199 N 3.13 0.00 -2.63 1.32 0.00 -0.24 -4.57 120.51 117.53 1jof n ALA 199 Ca -0.13 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.11 1jof n ALA 199 Cb 0.59 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.90 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 0.82 1.08 0.52 0.00 2.46 -0.59 -1.18 115.29 118.41 1jof s HIS 201 Ca 0.00 -0.24 0.28 0.00 0.47 0.00 0.00 55.06 55.57 1jof s HIS 201 Cb 0.00 -0.68 1.41 0.00 -0.13 0.00 0.00 32.58 33.17 1jof s HIS 201 CO 0.00 -0.01 1.93 -1.35 -2.47 0.00 0.00 174.74 172.84 1jof h PRO 202 N 5.63 0.04 0.00 2.88 0.11 -1.92 0.07 132.00 138.81 1jof h PRO 202 Ca -0.34 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.73 1jof h PRO 202 Cb 1.17 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1jof h PRO 202 CO 0.48 0.03 -0.21 1.79 -0.21 0.00 0.00 178.00 179.88 1jof h THR 203 N 0.05 0.45 0.00 -1.15 1.35 -1.92 -3.44 112.91 108.24 1jof h THR 203 Ca 0.37 -1.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 1jof h THR 203 Cb 1.40 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 69.68 1jof h THR 203 CO -0.02 0.20 0.00 0.61 -0.25 0.00 0.00 175.52 176.06 1jof n GLY 204 N 0.42 0.75 0.07 5.82 0.00 0.01 -4.93 105.19 107.33 1jof n GLY 204 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 0.13 -4.16 1.61 2.35 -1.83 -3.43 115.58 110.24 1jof h ASN 205 Ca 0.00 -0.14 -0.36 0.00 -0.55 0.00 0.00 56.30 55.25 1jof h ASN 205 Cb 0.00 -0.04 -0.17 0.00 0.05 0.00 0.00 38.32 38.15 1jof h ASN 205 CO 0.00 1.10 -0.74 -0.31 -1.65 0.00 0.00 177.43 175.83 1jof s TYR 206 N -2.70 1.24 0.02 1.19 1.51 -1.26 -0.57 117.35 116.78 1jof s TYR 206 Ca -0.01 -0.62 0.02 0.00 -1.01 0.00 0.00 57.07 55.45 1jof s TYR 206 Cb 0.09 -0.66 -0.02 0.00 -0.11 0.00 0.00 41.96 41.27 1jof s TYR 206 CO 0.84 0.08 -0.06 -1.17 -1.11 0.00 0.00 175.55 174.13 1jof s LEU 207 N -2.56 2.16 -0.12 -1.29 0.20 -0.36 -1.54 118.68 115.16 1jof s LEU 207 Ca 0.09 -0.36 0.03 0.00 0.69 0.00 0.00 54.13 54.58 1jof s LEU 207 Cb -0.03 -0.17 0.01 0.00 -0.43 0.00 0.00 46.19 45.57 1jof s LEU 207 CO 0.01 -0.11 -0.22 -0.31 -0.29 0.00 0.00 176.35 175.43 1jof s TYR 208 N -0.88 2.60 -0.22 5.38 1.51 -0.32 -1.06 117.35 124.35 1jof s TYR 208 Ca -0.06 -1.22 -0.04 0.00 -1.01 0.00 0.00 57.07 54.74 1jof s TYR 208 Cb -0.07 -1.76 -0.01 0.00 -0.11 0.00 0.00 41.96 40.01 1jof s TYR 208 CO 0.00 -0.54 -0.03 0.00 -1.11 0.00 0.00 175.55 173.88 1jof s ALA 209 N 0.64 2.86 0.56 3.71 0.00 -0.47 -1.07 121.76 127.99 1jof s ALA 209 Ca -0.11 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.69 1jof s ALA 209 Cb -0.16 -1.75 0.00 0.00 0.00 0.00 0.00 23.12 21.21 1jof s ALA 209 CO 0.02 -0.42 0.00 -0.11 0.00 0.00 0.00 175.76 175.25 1jof n LEU 210 N 4.77 0.00 0.05 0.00 0.00 0.83 -1.17 117.00 121.49 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 0.51 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.93 1jof n LEU 210 CO 0.29 -0.03 -0.12 1.21 0.00 0.00 0.00 177.39 178.74 1jof n GLU 212 N -0.06 0.00 0.10 1.96 2.13 0.54 -1.17 120.64 124.14 1jof n GLU 212 Ca 0.00 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.79 1jof n GLU 212 Cb 0.00 -0.28 -0.01 0.00 0.27 0.00 0.00 31.44 31.42 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 -1.26 -1.15 119.26 121.72 1jof h ALA 213 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1jof h ALA 213 Cb 0.24 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1jof h ALA 213 CO 0.00 0.97 0.00 0.41 0.00 0.00 0.00 179.25 180.63 1jof n GLY 214 N 1.10 -1.56 3.79 0.00 0.00 -0.35 -4.88 105.19 103.28 1jof n GLY 214 Ca 0.00 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.12 -5.03 -3.58 1.61 3.02 -1.16 -4.92 115.26 103.08 1jof n ASN 215 Ca 0.05 -1.08 -0.08 0.00 -0.03 0.00 0.00 54.58 53.44 1jof n ASN 215 Cb 0.36 -2.84 -0.02 0.00 -0.61 0.00 0.00 39.78 36.68 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 -6.32 1.13 -0.19 3.52 1.70 -1.26 -1.68 118.95 115.85 1jof s ARG 216 Ca 0.46 -0.50 -0.05 0.00 -0.47 0.00 0.00 55.73 55.16 1jof s ARG 216 Cb -0.19 0.46 -0.03 0.00 -0.57 0.00 0.00 34.95 34.63 1jof s ARG 216 CO 0.89 -0.50 -0.00 0.42 -1.08 0.00 0.00 175.30 175.03 1jof s ILE 217 N -3.41 4.06 -0.08 4.99 -1.09 0.18 -4.47 121.20 121.38 1jof s ILE 217 Ca 0.06 -0.29 -0.00 0.00 -2.23 0.00 0.00 60.65 58.20 1jof s ILE 217 Cb -0.02 -2.82 -0.03 0.00 -1.58 0.00 0.00 42.46 38.01 1jof s ILE 217 CO -0.06 0.45 -0.04 0.00 -1.23 0.00 0.00 174.94 174.06 1jof s GLU 219 N -0.82 4.03 -0.03 0.00 2.12 -0.34 -1.37 118.70 122.31 1jof s GLU 219 Ca 0.12 0.36 0.04 0.00 0.36 0.00 0.00 54.97 55.85 1jof s GLU 219 Cb -0.11 -3.29 -0.00 0.00 0.26 0.00 0.00 34.13 30.98 1jof s GLU 219 CO 0.02 0.53 -0.13 0.71 -0.54 0.00 0.00 175.26 175.84 1jof s TYR 220 N -0.52 1.29 -0.10 5.30 1.51 -0.23 -2.24 117.35 122.36 1jof s TYR 220 Ca 0.23 -0.32 -0.10 0.00 -1.01 0.00 0.00 57.07 55.88 1jof s TYR 220 Cb -0.16 -0.87 -0.05 0.00 -0.11 0.00 0.00 41.96 40.78 1jof s TYR 220 CO 0.11 -0.09 0.21 0.54 -1.11 0.00 0.00 175.55 175.21 1jof s VAL 221 N -0.03 5.37 -0.29 0.71 0.11 0.37 -1.23 120.40 125.41 1jof s VAL 221 Ca -0.00 0.38 -0.22 0.00 -2.93 0.00 0.00 61.98 59.21 1jof s VAL 221 Cb -0.08 -3.50 -0.01 0.00 -1.53 0.00 0.00 36.38 31.26 1jof s VAL 221 CO 0.01 0.58 0.72 -0.63 -3.33 0.00 0.00 175.10 172.45 1jof s ILE 222 N -0.84 4.87 -0.16 7.04 1.01 0.26 -0.53 121.20 132.85 1jof s ILE 222 Ca 0.17 1.11 -0.29 0.00 0.00 0.00 0.00 60.65 61.64 1jof s ILE 222 Cb -0.13 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 1jof s ILE 222 CO 0.06 -0.16 1.61 -0.62 0.00 0.00 0.00 174.94 175.83 1jof s ASP 223 N 1.58 6.51 0.53 3.58 -1.08 -1.26 -4.88 116.67 121.65 1jof s ASP 223 Ca 0.29 1.83 0.29 0.00 -0.52 0.00 0.00 52.55 54.45 1jof s ASP 223 Cb -0.15 -2.53 1.51 0.00 -1.46 0.00 0.00 42.92 40.29 1jof s ASP 223 CO 0.11 -1.12 2.08 1.55 0.52 0.00 0.00 175.17 178.31 1jof h PRO 224 N 10.20 0.00 -0.40 4.34 0.13 -1.95 0.80 132.00 145.11 1jof h PRO 224 Ca -0.35 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.72 1jof h PRO 224 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1jof h PRO 224 CO 0.98 0.10 0.02 0.00 -0.23 0.00 0.00 178.00 178.88 1jof h ALA 225 N 1.90 0.54 0.00 -0.56 0.00 -2.04 -3.35 119.26 115.74 1jof h ALA 225 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1jof h ALA 225 Cb 0.33 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1jof h ALA 225 CO 0.01 0.30 -1.11 0.25 0.00 0.00 0.00 179.25 178.70 1jof n THR 226 N -4.47 0.00 -1.86 0.00 -2.24 -1.10 -5.27 114.28 99.35 1jof n THR 226 Ca -0.01 -0.22 -0.01 0.00 -2.27 0.00 0.00 64.05 61.54 1jof n THR 226 Cb 0.27 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 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 -1.62 -0.77 -5.10 4.78 -0.00 0.27 -5.02 115.22 107.76 1jof n HIS 227 Ca -0.01 0.30 -0.29 0.00 -0.00 0.00 0.00 57.72 57.72 1jof n HIS 227 Cb 0.19 -2.13 -0.16 0.00 -0.00 0.00 0.00 29.99 27.89 1jof n HIS 227 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 1jof s PRO 229 N -2.37 2.19 -0.12 -0.41 0.04 -1.26 -4.78 135.00 128.30 1jof s PRO 229 Ca 0.02 -0.79 0.03 0.00 0.04 0.00 0.00 61.00 60.30 1jof s PRO 229 Cb -0.01 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1jof s PRO 229 CO 0.18 0.35 -0.22 0.08 0.04 0.00 0.00 177.00 177.43 1jof s VAL 230 N -0.14 2.18 0.11 -0.36 1.01 0.31 -4.93 120.40 118.58 1jof s VAL 230 Ca -0.02 -0.96 -0.31 0.00 0.00 0.00 0.00 61.98 60.68 1jof s VAL 230 Cb -0.12 -1.85 -0.08 0.00 0.00 0.00 0.00 36.38 34.32 1jof s VAL 230 CO 0.03 0.55 1.42 -0.47 0.00 0.00 0.00 175.10 176.62 1jof s TYR 231 N 0.48 3.17 -1.45 5.22 5.04 -1.26 -0.48 117.35 128.07 1jof s TYR 231 Ca -0.15 0.89 0.26 0.00 -2.44 0.00 0.00 57.07 55.63 1jof s TYR 231 Cb -0.17 -3.71 0.67 0.00 0.35 0.00 0.00 41.96 39.10 1jof s TYR 231 CO 0.06 -2.54 1.52 0.25 -1.34 0.00 0.00 175.55 173.49 1jof n THR 232 N 4.03 0.00 -0.83 4.34 -2.24 -0.95 -4.92 114.28 113.71 1jof n THR 232 Ca 0.12 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1jof n THR 232 Cb 0.42 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 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 -1.00 0.00 -3.86 4.78 8.25 -1.26 -5.03 115.22 117.10 1jof n HIS 233 Ca 0.10 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.20 1jof n HIS 233 Cb 0.34 -0.04 -0.11 0.00 1.12 0.00 0.00 29.99 31.30 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 3.17 0.08 4.41 3.76 -1.26 -5.05 115.29 118.41 1jof s HIS 234 Ca 0.00 -0.13 0.02 0.00 -0.15 0.00 0.00 55.06 54.79 1jof s HIS 234 Cb 0.00 -2.18 -0.04 0.00 1.11 0.00 0.00 32.58 31.47 1jof s HIS 234 CO 0.00 -0.11 -0.07 -1.54 -0.85 0.00 0.00 174.74 172.18 1jof s SER 235 N 1.09 1.04 -0.01 1.40 1.04 -1.26 -1.19 113.70 115.80 1jof s SER 235 Ca 0.05 -0.92 0.02 0.00 0.48 0.00 0.00 55.95 55.57 1jof s SER 235 Cb -0.14 0.09 -0.00 0.00 0.10 0.00 0.00 66.02 66.07 1jof s SER 235 CO 0.03 -0.43 -0.06 -0.36 0.98 0.00 0.00 173.24 173.41 1jof s PHE 236 N -3.22 0.53 0.36 5.02 0.40 -0.04 -4.94 117.98 116.10 1jof s PHE 236 Ca 0.07 -0.10 -0.27 0.00 -0.60 0.00 0.00 56.93 56.03 1jof s PHE 236 Cb 0.03 -0.36 -0.09 0.00 0.51 0.00 0.00 43.02 43.11 1jof s PHE 236 CO -0.04 -0.02 1.21 -1.25 0.70 0.00 0.00 175.22 175.81 1jof s PRO 237 N -0.06 4.22 0.00 0.24 0.04 -1.26 -0.65 135.00 137.53 1jof s PRO 237 Ca 0.01 1.96 0.12 0.00 0.04 0.00 0.00 61.00 63.14 1jof s PRO 237 Cb -0.03 -2.87 0.04 0.00 0.04 0.00 0.00 34.50 31.68 1jof s PRO 237 CO -0.00 -0.21 0.79 1.28 0.04 0.00 0.00 177.00 178.90 1jof n LEU 238 N 0.45 1.66 -4.12 -3.56 4.32 -0.68 -4.85 117.00 110.24 1jof n LEU 238 Ca 0.02 -0.87 -0.12 0.00 -0.02 0.00 0.00 56.01 55.03 1jof n LEU 238 Cb 0.45 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.14 1jof n LEU 238 CO 0.54 0.32 -0.39 0.27 -1.22 0.00 0.00 177.39 176.90 1jof s ILE 239 N -1.33 0.61 0.18 -0.08 -4.36 -1.26 -4.60 121.20 110.37 1jof s ILE 239 Ca 0.12 -1.53 -0.33 0.00 -0.26 0.00 0.00 60.65 58.65 1jof s ILE 239 Cb 0.10 -1.17 -0.13 0.00 1.25 0.00 0.00 42.46 42.51 1jof s ILE 239 CO 0.24 -0.64 1.64 -2.65 0.24 0.00 0.00 174.94 173.77 1jof n PRO 240 N 0.67 2.42 -1.67 0.37 -0.02 -1.26 -4.88 135.00 130.64 1jof n PRO 240 Ca -0.17 0.87 -0.45 0.00 -2.02 0.00 0.00 63.50 61.73 1jof n PRO 240 Cb 0.58 -2.68 -0.03 0.00 -0.02 0.00 0.00 33.50 31.35 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 3.62 2.01 -0.58 0.52 -0.02 -1.26 -1.80 135.00 137.49 1jof n PRO 241 Ca 0.16 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1jof n PRO 241 Cb 0.31 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 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 2.49 1.77 3.76 -1.23 0.00 -1.26 -5.01 105.19 105.72 1jof n GLY 242 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1jof n GLY 242 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1jof s ILE 243 N -3.52 2.03 0.06 -0.61 2.07 -0.75 -4.85 121.20 115.64 1jof s ILE 243 Ca 0.00 0.03 -0.34 0.00 -1.41 0.00 0.00 60.65 58.93 1jof s ILE 243 Cb 0.00 -3.02 -0.13 0.00 0.13 0.00 0.00 42.46 39.45 1jof s ILE 243 CO 0.00 0.01 1.74 -2.65 -1.91 0.00 0.00 174.94 172.12 1jof n PRO 244 N 1.62 2.27 -1.18 3.50 -0.02 -1.26 -4.87 135.00 135.06 1jof n PRO 244 Ca 0.06 0.82 0.04 0.00 -2.02 0.00 0.00 63.50 62.40 1jof n PRO 244 Cb 0.38 -2.64 0.04 0.00 -0.02 0.00 0.00 33.50 31.25 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 5.00 0.90 -3.96 2.55 5.75 -1.26 -4.93 116.55 120.60 1jof n ASP 245 Ca 0.19 -2.20 -0.31 0.00 -0.01 0.00 0.00 54.79 52.47 1jof n ASP 245 Cb 0.30 -0.30 -0.15 0.00 -1.03 0.00 0.00 41.12 39.94 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 -0.37 1.70 -0.36 0.11 0.52 -1.26 -1.60 118.95 117.69 1jof s ARG 246 Ca 0.28 -1.10 -0.27 0.00 -0.52 0.00 0.00 55.73 54.11 1jof s ARG 246 Cb 0.31 -2.66 -0.06 0.00 0.52 0.00 0.00 34.95 33.06 1jof s ARG 246 CO -0.12 -0.62 2.32 -3.47 0.02 0.00 0.00 175.30 173.43 1jof n ASP 247 N 4.61 2.75 0.23 0.23 -0.08 0.28 -4.82 116.55 119.76 1jof n ASP 247 Ca -0.11 -0.14 0.14 0.00 -1.51 0.00 0.00 54.79 53.16 1jof n ASP 247 Cb 0.43 -1.56 0.74 0.00 2.34 0.00 0.00 41.12 43.07 1jof n ASP 247 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1jof h PRO 248 N 17.23 0.00 -1.15 -0.67 0.14 -1.92 1.32 132.00 146.95 1jof h PRO 248 Ca -0.32 0.00 -0.65 0.00 0.14 0.00 0.00 66.00 65.17 1jof h PRO 248 Cb 1.26 0.00 -0.34 0.00 0.14 0.00 0.00 31.00 32.05 1jof h PRO 248 CO 1.06 0.00 0.21 0.39 0.14 0.00 0.00 178.00 179.81 1jof n GLU 249 N -2.52 3.06 0.00 0.86 4.71 -1.26 -4.48 120.64 121.01 1jof n GLU 249 Ca -0.02 -3.73 0.00 0.00 -0.01 0.00 0.00 57.16 53.40 1jof n GLU 249 Cb 0.16 -2.28 0.00 0.00 -1.01 0.00 0.00 31.44 28.31 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 -0.74 0.00 0.00 2.62 -1.04 -0.38 -5.00 114.28 109.73 1jof n THR 250 Ca 0.53 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.54 1jof n THR 250 Cb 0.68 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.19 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 0.00 1.00 3.74 3.41 0.00 0.44 -4.90 105.19 108.88 1jof n GLY 251 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 2.10 0.65 1.61 0.00 -1.26 -4.40 119.74 118.44 1jof s LYS 252 Ca 0.00 1.48 -0.18 0.00 0.00 0.00 0.00 55.97 57.27 1jof s LYS 252 Cb 0.00 -1.86 -0.01 0.00 0.00 0.00 0.00 37.83 35.96 1jof s LYS 252 CO 0.00 -1.81 1.23 0.41 0.00 0.00 0.00 175.35 175.18 1jof n GLY 253 N -0.26 0.37 0.10 0.59 0.00 -1.26 -0.56 105.19 104.16 1jof n GLY 253 Ca 0.11 -0.17 0.11 0.00 0.00 0.00 0.00 46.02 46.08 1jof n GLY 253 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jof n LEU 254 N -1.77 0.74 -4.29 0.99 4.77 -0.63 -4.60 117.00 112.21 1jof n LEU 254 Ca 0.16 0.27 -0.27 0.00 -0.03 0.00 0.00 56.01 56.14 1jof n LEU 254 Cb 0.48 -0.06 -0.14 0.00 -2.33 0.00 0.00 43.42 41.37 1jof n LEU 254 CO 0.47 -0.15 -0.54 -0.31 -1.33 0.00 0.00 177.39 175.54 1jof s TYR 255 N -3.36 1.97 -0.21 -1.77 1.51 -1.26 -0.09 117.35 114.15 1jof s TYR 255 Ca -0.01 -0.39 -0.04 0.00 -1.01 0.00 0.00 57.07 55.63 1jof s TYR 255 Cb 0.11 -1.15 0.07 0.00 -0.11 0.00 0.00 41.96 40.87 1jof s TYR 255 CO 0.80 0.14 0.07 1.03 -1.11 0.00 0.00 175.55 176.48 1jof s ARG 256 N -1.40 0.38 0.65 -0.62 0.52 -0.41 -4.76 118.95 113.31 1jof s ARG 256 Ca 0.09 -0.36 -0.17 0.00 -0.52 0.00 0.00 55.73 54.77 1jof s ARG 256 Cb -0.09 -1.88 -0.02 0.00 0.52 0.00 0.00 34.95 33.47 1jof s ARG 256 CO 0.03 -0.72 1.05 0.00 0.02 0.00 0.00 175.30 175.67 1jof n ALA 257 N 5.14 0.31 -0.73 2.13 0.00 -0.44 -1.27 120.51 125.65 1jof n ALA 257 Ca -0.07 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1jof n ALA 257 Cb 0.47 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.75 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 -1.36 0.00 -4.04 0.00 2.03 0.83 -4.55 116.55 109.45 1jof n ASP 258 Ca 0.14 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.37 1jof n ASP 258 Cb 0.48 -0.05 -0.11 0.00 -0.72 0.00 0.00 41.12 40.72 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 -0.27 0.21 0.01 5.18 1.01 -1.24 -4.62 120.40 120.68 1jof s VAL 259 Ca 0.00 -1.36 0.01 0.00 0.00 0.00 0.00 61.98 60.63 1jof s VAL 259 Cb 0.00 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.48 1jof s VAL 259 CO 0.00 -0.73 -0.05 0.00 0.00 0.00 0.00 175.10 174.32 1jof s ALA 261 N -0.45 -1.55 0.43 0.00 0.00 -0.15 -4.70 121.76 115.34 1jof s ALA 261 Ca -0.02 1.81 -0.15 0.00 0.00 0.00 0.00 51.96 53.60 1jof s ALA 261 Cb -0.04 -1.05 -0.08 0.00 0.00 0.00 0.00 23.12 21.95 1jof s ALA 261 CO -0.00 -0.30 0.87 -0.51 0.00 0.00 0.00 175.76 175.81 1jof s LEU 262 N 0.49 3.82 0.74 0.00 1.02 -1.26 -1.50 118.68 121.97 1jof s LEU 262 Ca -0.01 1.40 -0.10 0.00 0.02 0.00 0.00 54.13 55.44 1jof s LEU 262 Cb -0.05 -4.28 0.06 0.00 0.02 0.00 0.00 46.19 41.94 1jof s LEU 262 CO -0.01 -0.42 1.09 0.42 0.02 0.00 0.00 176.35 177.44 1jof s THR 263 N -2.36 2.48 0.28 5.49 -4.23 -0.25 -4.82 115.64 112.24 1jof s THR 263 Ca 0.56 -0.01 0.02 0.00 -1.18 0.00 0.00 61.69 61.08 1jof s THR 263 Cb -0.10 -3.12 0.29 0.00 1.34 0.00 0.00 72.50 70.91 1jof s THR 263 CO 0.26 -0.15 1.67 0.15 -0.54 0.00 0.00 174.62 176.01 1jof h PHE 264 N -0.77 0.44 0.00 3.99 3.57 -1.81 -0.72 116.94 121.64 1jof h PHE 264 Ca -0.45 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.09 1jof h PHE 264 Cb 1.31 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.99 1jof h PHE 264 CO 0.36 -0.15 0.00 0.66 -2.23 0.00 0.00 178.31 176.96 1jof h SER 265 N 0.27 0.00 0.00 0.41 4.64 -1.93 -3.47 113.55 113.48 1jof h SER 265 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 1jof h SER 265 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1jof h SER 265 CO -0.60 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 175.97 1jof n GLY 266 N 0.82 0.96 0.14 -0.77 0.00 -0.28 -4.88 105.19 101.19 1jof n GLY 266 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.18 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 3.07 0.00 0.00 1.61 1.57 -1.85 -3.43 116.57 117.53 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 -2.66 0.00 -3.67 -1.35 4.02 -1.26 -0.28 117.16 111.97 1jof n TYR 268 Ca 0.03 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.78 1jof n TYR 268 Cb 0.50 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.75 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 -0.53 -0.33 0.13 -0.72 2.99 -0.57 -1.08 117.98 117.88 1jof s PHE 270 Ca 0.00 0.47 -0.10 0.00 0.00 0.00 0.00 56.93 57.29 1jof s PHE 270 Cb 0.00 0.22 0.00 0.00 0.00 0.00 0.00 43.02 43.24 1jof s PHE 270 CO 0.00 -0.51 0.28 0.00 -0.00 0.00 0.00 175.22 175.00 1jof s ALA 271 N -1.68 -0.26 0.24 5.36 0.00 -0.18 -0.98 121.76 124.26 1jof s ALA 271 Ca -0.10 -0.64 -0.07 0.00 0.00 0.00 0.00 51.96 51.15 1jof s ALA 271 Cb -0.02 0.71 -0.02 0.00 0.00 0.00 0.00 23.12 23.78 1jof s ALA 271 CO 0.03 -0.61 0.34 -1.54 0.00 0.00 0.00 175.76 173.99 1jof s SER 272 N -2.90 0.13 0.04 0.00 1.04 -0.34 0.15 113.70 111.83 1jof s SER 272 Ca 0.10 -1.18 -0.15 0.00 0.48 0.00 0.00 55.95 55.20 1jof s SER 272 Cb 0.03 0.51 0.03 0.00 0.10 0.00 0.00 66.02 66.69 1jof s SER 272 CO -0.06 -1.04 0.35 -0.94 0.98 0.00 0.00 173.24 172.53 1jof s SER 273 N -3.10 -0.19 0.27 7.02 1.04 -0.36 -0.12 113.70 118.27 1jof s SER 273 Ca 0.30 -0.11 0.11 0.00 0.48 0.00 0.00 55.95 56.74 1jof s SER 273 Cb 0.02 0.38 -0.05 0.00 0.10 0.00 0.00 66.02 66.48 1jof s SER 273 CO 0.12 -0.63 -0.16 0.00 0.98 0.00 0.00 173.24 173.55 1jof s ARG 274 N -2.47 1.79 0.15 4.02 1.70 -0.39 -1.22 118.95 122.53 1jof s ARG 274 Ca -0.05 -1.69 -0.01 0.00 -0.47 0.00 0.00 55.73 53.50 1jof s ARG 274 Cb -0.01 -1.85 -0.04 0.00 -0.57 0.00 0.00 34.95 32.48 1jof s ARG 274 CO -0.03 0.34 0.34 0.00 -1.08 0.00 0.00 175.30 174.88 1jof s ALA 275 N -2.43 3.87 -2.12 7.88 0.00 0.02 -1.29 121.76 127.70 1jof s ALA 275 Ca 0.30 -0.78 0.28 0.00 0.00 0.00 0.00 51.96 51.76 1jof s ALA 275 Cb -0.05 -1.98 1.04 0.00 0.00 0.00 0.00 23.12 22.12 1jof s ALA 275 CO 0.16 0.59 1.73 0.09 0.00 0.00 0.00 175.76 178.33 1jof n ASN 276 N -0.27 1.12 -4.12 0.00 3.02 0.87 -4.50 115.26 111.37 1jof n ASN 276 Ca -0.04 -1.15 -0.24 0.00 -0.03 0.00 0.00 54.58 53.12 1jof n ASN 276 Cb 0.53 0.03 -0.15 0.00 -0.61 0.00 0.00 39.78 39.58 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 -2.22 1.36 0.55 3.52 1.02 -1.26 -5.04 119.74 117.67 1jof s LYS 277 Ca 0.33 -0.55 0.25 0.00 0.02 0.00 0.00 55.97 56.02 1jof s LYS 277 Cb 0.20 -1.27 1.56 0.00 -0.52 0.00 0.00 37.83 37.80 1jof s LYS 277 CO 0.41 0.30 2.18 0.74 -0.92 0.00 0.00 175.35 178.06 1jof h PHE 278 N 5.92 0.00 -0.00 3.18 -1.00 -1.98 -1.03 116.94 122.02 1jof h PHE 278 Ca -0.35 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.43 1jof h PHE 278 Cb 1.16 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.72 1jof h PHE 278 CO 0.41 0.03 0.00 -0.85 -1.61 0.00 0.00 178.31 176.29 1jof n GLU 279 N -4.04 1.05 -4.03 1.51 0.00 -1.26 -4.49 120.64 109.38 1jof n GLU 279 Ca -0.03 -0.07 -0.31 0.00 0.00 0.00 0.00 57.16 56.75 1jof n GLU 279 Cb 0.12 -1.47 -0.06 0.00 0.00 0.00 0.00 31.44 30.03 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 -1.93 3.94 0.17 -1.84 1.43 -0.39 -5.06 118.68 114.99 1jof s LEU 280 Ca 0.44 0.08 -0.15 0.00 -1.03 0.00 0.00 54.13 53.47 1jof s LEU 280 Cb 0.21 -2.56 -0.07 0.00 0.03 0.00 0.00 46.19 43.79 1jof s LEU 280 CO 0.34 0.19 0.59 -1.10 0.23 0.00 0.00 176.35 176.60 1jof s GLN 281 N -2.32 4.02 0.29 1.70 -0.21 -1.26 -2.97 119.66 118.91 1jof s GLN 281 Ca 0.30 0.56 -0.01 0.00 0.02 0.00 0.00 55.36 56.22 1jof s GLN 281 Cb -0.12 -2.90 0.06 0.00 1.00 0.00 0.00 33.01 31.05 1jof s GLN 281 CO 0.22 0.45 0.40 0.41 -2.12 0.00 0.00 175.29 174.65 1jof n GLY 282 N 0.73 0.30 3.08 3.09 0.00 -0.11 -4.48 105.19 107.80 1jof n GLY 282 Ca -0.04 -1.92 -0.08 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.22 0.52 -0.01 1.61 1.51 -0.35 -1.03 117.35 118.37 1jof s TYR 283 Ca 0.25 -0.95 0.03 0.00 -1.01 0.00 0.00 57.07 55.40 1jof s TYR 283 Cb -0.01 -0.37 -0.01 0.00 -0.11 0.00 0.00 41.96 41.46 1jof s TYR 283 CO 0.17 -0.31 -0.10 -1.50 -1.11 0.00 0.00 175.55 172.70 1jof s ILE 284 N -3.40 0.79 0.12 2.71 2.07 -0.37 -1.22 121.20 121.90 1jof s ILE 284 Ca 0.03 -0.42 0.04 0.00 -1.41 0.00 0.00 60.65 58.90 1jof s ILE 284 Cb 0.04 -0.67 -0.04 0.00 0.13 0.00 0.00 42.46 41.92 1jof s ILE 284 CO -0.08 0.23 -0.11 0.00 -1.91 0.00 0.00 174.94 173.07 1jof s ALA 285 N -0.14 1.30 0.01 1.50 0.00 0.12 -1.32 121.76 123.23 1jof s ALA 285 Ca 0.02 -1.30 0.04 0.00 0.00 0.00 0.00 51.96 50.72 1jof s ALA 285 Cb -0.05 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 1jof s ALA 285 CO -0.00 -0.02 -0.13 0.20 0.00 0.00 0.00 175.76 175.80 1jof s GLY 286 N -2.66 0.67 0.07 0.00 0.00 -0.75 -1.01 107.32 103.63 1jof s GLY 286 Ca 0.10 -0.64 0.04 0.00 0.00 0.00 0.00 44.72 44.21 1jof s GLY 286 CO 0.01 -0.58 -0.10 -1.36 0.00 0.00 0.00 173.10 171.07 1jof s PHE 287 N -0.51 0.98 -0.10 1.90 0.40 -1.26 -0.11 117.98 119.27 1jof s PHE 287 Ca 0.03 -0.55 -0.02 0.00 -0.60 0.00 0.00 56.93 55.79 1jof s PHE 287 Cb -0.06 -0.55 -0.03 0.00 0.51 0.00 0.00 43.02 42.89 1jof s PHE 287 CO 0.00 -0.01 -0.03 0.21 0.70 0.00 0.00 175.22 176.09 1jof s LYS 288 N -2.11 3.12 -0.12 0.44 2.20 -0.85 -4.31 119.74 118.11 1jof s LYS 288 Ca -0.02 -0.48 -0.00 0.00 -0.36 0.00 0.00 55.97 55.11 1jof s LYS 288 Cb -0.07 -2.78 -0.02 0.00 -1.51 0.00 0.00 37.83 33.45 1jof s LYS 288 CO 0.01 0.56 -0.11 -0.51 -0.36 0.00 0.00 175.35 174.94 1jof s LEU 289 N -0.50 2.88 0.87 5.43 1.43 0.62 -0.52 118.68 128.89 1jof s LEU 289 Ca 0.08 -0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 52.83 1jof s LEU 289 Cb -0.12 -1.65 0.12 0.00 0.03 0.00 0.00 46.19 44.57 1jof s LEU 289 CO 0.02 0.20 1.10 -0.13 0.23 0.00 0.00 176.35 177.77 1jof s ARG 290 N 0.13 1.41 0.46 1.70 0.52 0.03 -4.75 118.95 118.45 1jof s ARG 290 Ca -0.05 1.07 0.14 0.00 -0.52 0.00 0.00 55.73 56.36 1jof s ARG 290 Cb -0.15 -1.81 1.05 0.00 0.52 0.00 0.00 34.95 34.56 1jof s ARG 290 CO 0.04 -2.20 2.04 -0.44 0.02 0.00 0.00 175.30 174.76 1jof h ASP 291 N -1.53 0.07 1.02 0.23 3.32 -1.95 -1.61 116.42 115.97 1jof h ASP 291 Ca -0.47 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1jof h ASP 291 Cb 1.27 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1jof h ASP 291 CO 0.51 0.16 0.00 0.00 -1.72 0.00 0.00 179.24 178.19 1jof n GLY 293 N 0.97 1.61 3.74 0.00 0.00 -0.60 -4.61 105.19 106.30 1jof n GLY 293 Ca 0.05 0.00 -0.33 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 -1.30 4.33 -0.34 1.61 1.04 -1.26 -4.63 113.70 113.14 1jof s SER 294 Ca 0.00 2.09 -0.26 0.00 0.48 0.00 0.00 55.95 58.26 1jof s SER 294 Cb 0.00 -2.56 0.01 0.00 0.10 0.00 0.00 66.02 63.57 1jof s SER 294 CO 0.00 -2.16 0.93 -0.63 0.98 0.00 0.00 173.24 172.36 1jof s ILE 295 N -2.42 4.61 0.03 -1.02 1.01 -1.26 -0.79 121.20 121.35 1jof s ILE 295 Ca 0.68 1.31 -0.22 0.00 0.00 0.00 0.00 60.65 62.42 1jof s ILE 295 Cb -0.23 -4.31 -0.15 0.00 0.01 0.00 0.00 42.46 37.78 1jof s ILE 295 CO 0.49 -0.47 1.40 -0.08 0.00 0.00 0.00 174.94 176.28 1jof h GLU 296 N 8.32 0.21 -2.13 2.79 4.81 -1.14 -3.47 114.58 123.97 1jof h GLU 296 Ca -0.23 -0.09 0.17 0.00 -0.13 0.00 0.00 59.36 59.09 1jof h GLU 296 Cb 1.08 -0.01 -0.12 0.00 0.63 0.00 0.00 28.75 30.32 1jof h GLU 296 CO 0.97 0.55 0.56 -1.59 -0.73 0.00 0.00 179.01 178.77 1jof s LYS 297 N -4.64 0.87 -0.24 1.92 -2.85 -1.21 -5.01 119.74 108.58 1jof s LYS 297 Ca -0.15 -0.41 -0.16 0.00 -1.00 0.00 0.00 55.97 54.25 1jof s LYS 297 Cb 0.05 0.34 -0.04 0.00 -2.06 0.00 0.00 37.83 36.12 1jof s LYS 297 CO 0.71 -0.39 0.41 -1.14 0.10 0.00 0.00 175.35 175.05 1jof s GLN 298 N -3.04 4.09 0.05 1.78 0.74 -1.26 -2.01 119.66 120.00 1jof s GLN 298 Ca 0.09 0.16 -0.05 0.00 0.05 0.00 0.00 55.36 55.62 1jof s GLN 298 Cb -0.00 -3.61 -0.29 0.00 1.10 0.00 0.00 33.01 30.21 1jof s GLN 298 CO -0.04 -0.20 1.05 -0.07 -0.55 0.00 0.00 175.29 175.48 1jof h LEU 299 N 8.28 0.45 -7.21 3.68 3.38 -0.85 -3.49 115.31 119.55 1jof h LEU 299 Ca -0.33 -0.51 0.04 0.00 0.09 0.00 0.00 57.88 57.17 1jof h LEU 299 Cb 1.16 -0.15 -0.11 0.00 0.09 0.00 0.00 40.66 41.65 1jof h LEU 299 CO 0.69 1.41 0.30 0.72 0.09 0.00 0.00 178.44 181.65 1jof s PHE 300 N -2.64 -0.41 -0.25 1.13 -0.12 -1.16 -4.95 117.98 109.58 1jof s PHE 300 Ca -0.06 0.17 -0.02 0.00 -0.05 0.00 0.00 56.93 56.97 1jof s PHE 300 Cb 0.07 0.59 0.13 0.00 -0.63 0.00 0.00 43.02 43.18 1jof s PHE 300 CO 0.88 -0.84 0.37 -1.17 -0.05 0.00 0.00 175.22 174.41 1jof s LEU 301 N -2.73 -0.60 0.08 -1.99 2.96 -1.26 -1.81 118.68 113.33 1jof s LEU 301 Ca 0.04 0.06 0.04 0.00 -0.22 0.00 0.00 54.13 54.06 1jof s LEU 301 Cb -0.02 1.03 -0.03 0.00 0.50 0.00 0.00 46.19 47.67 1jof s LEU 301 CO -0.08 -0.31 -0.11 -0.44 -1.32 0.00 0.00 176.35 174.09 1jof s SER 302 N 2.52 1.46 0.43 3.68 0.01 -0.43 -4.98 113.70 116.38 1jof s SER 302 Ca 0.12 -0.70 -0.25 0.00 1.31 0.00 0.00 55.95 56.43 1jof s SER 302 Cb -0.15 -0.01 -0.08 0.00 0.21 0.00 0.00 66.02 65.99 1jof s SER 302 CO -0.18 -0.18 1.25 -2.84 0.41 0.00 0.00 173.24 171.70 1jof s PRO 303 N -2.20 3.84 0.43 12.44 0.02 -1.26 -1.24 135.00 147.04 1jof s PRO 303 Ca 0.00 2.02 0.03 0.00 0.02 0.00 0.00 61.00 63.07 1jof s PRO 303 Cb -0.07 -2.61 0.00 0.00 0.02 0.00 0.00 34.50 31.85 1jof s PRO 303 CO 0.01 -0.55 0.62 0.95 -0.33 0.00 0.00 177.00 177.70 1jof s THR 304 N -1.36 3.70 0.36 0.99 -4.23 -0.20 -4.80 115.64 110.09 1jof s THR 304 Ca 0.60 -0.72 0.04 0.00 -1.18 0.00 0.00 61.69 60.43 1jof s THR 304 Cb -0.35 -3.33 0.22 0.00 1.34 0.00 0.00 72.50 70.38 1jof s THR 304 CO 0.44 -0.19 1.96 -0.65 -0.54 0.00 0.00 174.62 175.64 1jof h PRO 305 N 0.51 0.66 0.00 3.99 0.11 -1.96 -3.39 132.00 131.91 1jof h PRO 305 Ca -0.45 -0.08 -0.32 0.00 0.11 0.00 0.00 66.00 65.26 1jof h PRO 305 Cb 1.26 -0.13 -0.06 0.00 0.11 0.00 0.00 31.00 32.18 1jof h PRO 305 CO 0.54 0.52 -0.25 0.25 -0.21 0.00 0.00 178.00 178.85 1jof n THR 306 N -4.38 0.00 0.60 -1.15 -2.24 -1.26 -4.94 114.28 100.91 1jof n THR 306 Ca 0.04 -1.23 0.11 0.00 -2.27 0.00 0.00 64.05 60.69 1jof n THR 306 Cb 0.13 0.31 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 -1.35 0.32 0.00 3.42 3.41 -1.16 -0.93 113.62 117.33 1jof n SER 307 Ca -0.08 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 1jof n SER 307 Cb 0.33 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 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 0.55 2.77 7.00 5.00 0.00 -1.26 -0.80 105.19 118.46 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 3.11 0.36 -0.02 0.00 -1.26 -0.91 105.19 104.46 1jof n GLY 309 Ca 0.00 -0.18 0.14 0.00 0.00 0.00 0.00 46.02 45.98 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 13.59 0.00 0.00 1.61 8.25 -1.26 -4.74 115.22 132.67 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 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.06 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 -0.23 0.00 -0.43 0.41 2.88 -0.09 -4.94 113.62 111.22 1jof n SER 311 Ca 0.17 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.66 1jof n SER 311 Cb 0.34 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.78 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 -3.22 -4.69 -3.46 5.15 0.35 -4.67 115.26 104.71 1jof n ASN 312 Ca 0.00 0.09 -0.42 0.00 -0.60 0.00 0.00 54.58 53.65 1jof n ASN 312 Cb 0.00 -1.54 -0.03 0.00 -0.53 0.00 0.00 39.78 37.68 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 -2.20 3.60 0.05 5.20 0.00 -1.21 -4.72 121.76 122.49 1jof s ALA 313 Ca 0.00 0.99 -0.09 0.00 0.00 0.00 0.00 51.96 52.86 1jof s ALA 313 Cb 0.00 -3.60 -0.05 0.00 0.00 0.00 0.00 23.12 19.46 1jof s ALA 313 CO 0.00 -0.89 0.37 0.14 0.00 0.00 0.00 175.76 175.37 1jof s VAL 314 N 2.19 5.14 -0.33 0.00 -7.23 -1.26 -2.81 120.40 116.11 1jof s VAL 314 Ca 0.66 0.41 -0.01 0.00 -1.81 0.00 0.00 61.98 61.22 1jof s VAL 314 Cb -0.34 -3.63 0.12 0.00 0.56 0.00 0.00 36.38 33.09 1jof s VAL 314 CO 0.28 0.33 0.16 -0.55 -0.31 0.00 0.00 175.10 175.02 1jof s SER 315 N -1.69 3.46 0.52 4.85 0.15 0.21 -4.87 113.70 116.34 1jof s SER 315 Ca 0.31 -1.78 -0.22 0.00 0.70 0.00 0.00 55.95 54.95 1jof s SER 315 Cb -0.14 -0.53 -0.05 0.00 -1.71 0.00 0.00 66.02 63.58 1jof s SER 315 CO 0.17 -0.38 1.31 -2.84 1.20 0.00 0.00 173.24 172.71 1jof s PRO 316 N 1.50 3.29 0.10 5.44 0.02 -1.26 -1.41 135.00 142.67 1jof s PRO 316 Ca 0.13 2.13 -0.31 0.00 0.02 0.00 0.00 61.00 62.97 1jof s PRO 316 Cb -0.19 -2.30 -0.08 0.00 0.02 0.00 0.00 34.50 31.95 1jof s PRO 316 CO -0.19 -1.04 1.51 0.00 -0.33 0.00 0.00 177.00 176.95 1jof h PRO 318 N 7.38 0.00 -0.01 0.00 0.11 -1.92 -3.15 132.00 134.41 1jof h PRO 318 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 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 0.90 0.00 -0.04 0.91 -0.21 0.00 0.00 178.00 179.56 1jof n TRP 319 N -2.89 0.00 -3.66 0.65 8.01 -1.26 -4.60 117.44 113.70 1jof n TRP 319 Ca -0.01 0.00 -0.11 0.00 -1.31 0.00 0.00 57.50 56.07 1jof n TRP 319 Cb 0.14 0.00 -0.08 0.00 -2.01 0.00 0.00 31.31 29.36 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 -0.74 -0.76 0.59 -0.99 0.15 -1.19 -4.98 113.70 105.79 1jof s SER 320 Ca 0.08 1.32 0.38 0.00 0.70 0.00 0.00 55.95 58.43 1jof s SER 320 Cb 0.06 1.26 1.86 0.00 -1.71 0.00 0.00 66.02 67.49 1jof s SER 320 CO 0.11 -0.22 2.15 0.44 1.20 0.00 0.00 173.24 176.92 1jof h ASP 321 N 6.15 0.00 -0.60 5.45 5.19 -1.95 -3.28 116.42 127.38 1jof h ASP 321 Ca -0.30 0.00 0.08 0.00 -0.62 0.00 0.00 57.03 56.18 1jof h ASP 321 Cb 1.19 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.67 1jof h ASP 321 CO 0.15 0.00 0.40 -0.08 -3.12 0.00 0.00 179.24 176.59 1jof h GLU 322 N 0.00 0.50 0.00 3.56 4.81 -1.92 -3.40 114.58 118.13 1jof h GLU 322 Ca 0.00 -0.03 -0.22 0.00 -0.13 0.00 0.00 59.36 58.98 1jof h GLU 322 Cb 0.26 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 1jof h GLU 322 CO 0.00 0.33 -0.15 0.91 -0.73 0.00 0.00 179.01 179.37 1jof n TRP 323 N -4.48 0.09 -3.63 0.92 7.02 -1.24 -0.06 117.44 116.06 1jof n TRP 323 Ca 0.09 -0.85 -0.13 0.00 -1.02 0.00 0.00 57.50 55.59 1jof n TRP 323 Cb 0.29 -0.12 -0.06 0.00 -2.42 0.00 0.00 31.31 29.00 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 -2.29 -1.12 -0.05 6.99 0.00 -0.50 -1.64 121.76 123.15 1jof s ALA 325 Ca 0.02 0.40 -0.09 0.00 0.00 0.00 0.00 51.96 52.30 1jof s ALA 325 Cb -0.00 0.37 0.02 0.00 0.00 0.00 0.00 23.12 23.50 1jof s ALA 325 CO 0.01 -0.48 0.21 -1.50 0.00 0.00 0.00 175.76 174.00 1jof s ILE 326 N -2.50 0.03 0.19 0.00 2.07 -0.72 0.68 121.20 120.95 1jof s ILE 326 Ca -0.05 -0.25 0.09 0.00 -1.41 0.00 0.00 60.65 59.03 1jof s ILE 326 Cb -0.01 -0.39 -0.04 0.00 0.13 0.00 0.00 42.46 42.15 1jof s ILE 326 CO -0.02 -0.14 -0.18 0.42 -1.91 0.00 0.00 174.94 173.10 1jof s THR 327 N -0.49 1.92 0.00 4.00 -4.23 -1.12 -1.58 115.64 114.15 1jof s THR 327 Ca -0.06 -2.03 -0.11 0.00 -1.18 0.00 0.00 61.69 58.31 1jof s THR 327 Cb -0.04 -1.95 0.01 0.00 1.34 0.00 0.00 72.50 71.86 1jof s THR 327 CO 0.01 -0.36 0.22 1.51 -0.54 0.00 0.00 174.62 175.46 1jof s ASP 328 N -2.88 -0.07 -0.18 3.99 -4.77 -1.07 -0.50 116.67 111.21 1jof s ASP 328 Ca 0.19 -0.11 0.15 0.00 -3.30 0.00 0.00 52.55 49.48 1jof s ASP 328 Cb -0.05 0.26 0.39 0.00 -1.09 0.00 0.00 42.92 42.43 1jof s ASP 328 CO 0.08 -0.43 1.24 -0.90 0.70 0.00 0.00 175.17 175.86 1jof n ASP 329 N 1.25 2.37 -0.07 2.11 5.75 -1.20 -3.25 116.55 123.51 1jof n ASP 329 Ca -0.22 -3.41 -0.19 0.00 -0.01 0.00 0.00 54.79 50.96 1jof n ASP 329 Cb 0.56 -0.50 -0.13 0.00 -1.03 0.00 0.00 41.12 40.03 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 0.66 0.05 0.00 0.11 4.15 -1.83 -3.42 115.11 114.82 1jof h GLN 330 Ca 0.03 -0.08 -0.05 0.00 0.77 0.00 0.00 58.65 59.32 1jof h GLN 330 Cb 1.14 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.85 1jof h GLN 330 CO 0.08 1.04 -1.33 0.39 -1.93 0.00 0.00 178.83 177.07 1jof n GLU 331 N -4.41 1.43 -0.51 1.69 1.02 -1.26 -5.06 120.64 113.53 1jof n GLU 331 Ca -0.22 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 56.89 1jof n GLU 331 Cb 0.64 -1.15 0.00 0.00 -0.02 0.00 0.00 31.44 30.91 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 2.36 0.66 3.78 0.62 0.00 -1.21 -4.73 105.19 106.68 1jof n GLY 332 Ca -0.05 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.74 3.20 -0.24 1.61 0.52 -1.20 -0.20 118.94 120.89 1jof s TRP 333 Ca 0.00 0.09 0.02 0.00 0.02 0.00 0.00 56.10 56.22 1jof s TRP 333 Cb 0.00 -1.63 0.04 0.00 -1.15 0.00 0.00 33.47 30.74 1jof s TRP 333 CO 0.00 0.52 -0.12 -1.17 0.02 0.00 0.00 176.95 176.20 1jof s LEU 334 N -2.36 3.07 0.13 2.99 1.98 -0.61 -2.58 118.68 121.32 1jof s LEU 334 Ca 0.29 -1.12 0.08 0.00 -2.89 0.00 0.00 54.13 50.48 1jof s LEU 334 Cb -0.12 -1.55 -0.04 0.00 0.66 0.00 0.00 46.19 45.14 1jof s LEU 334 CO 0.22 -0.13 -0.09 -1.61 -1.89 0.00 0.00 176.35 172.84 1jof s GLU 335 N 1.19 2.13 -0.09 1.98 2.02 -0.61 -1.68 118.70 123.63 1jof s GLU 335 Ca -0.04 -1.10 0.01 0.00 0.02 0.00 0.00 54.97 53.86 1jof s GLU 335 Cb -0.18 -2.27 0.02 0.00 0.10 0.00 0.00 34.13 31.81 1jof s GLU 335 CO -0.07 0.48 -0.12 0.42 0.02 0.00 0.00 175.26 175.99 1jof s ILE 336 N -1.40 1.20 0.19 -1.63 1.01 0.28 -1.75 121.20 119.09 1jof s ILE 336 Ca 0.23 -0.47 0.08 0.00 0.00 0.00 0.00 60.65 60.49 1jof s ILE 336 Cb -0.10 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 1jof s ILE 336 CO 0.15 0.38 -0.01 -0.31 0.00 0.00 0.00 174.94 175.14 1jof s TYR 337 N 1.03 2.80 -0.09 3.97 1.51 -1.26 -1.12 117.35 124.20 1jof s TYR 337 Ca -0.07 -0.16 -0.01 0.00 -1.01 0.00 0.00 57.07 55.82 1jof s TYR 337 Cb -0.15 -1.35 -0.03 0.00 -0.11 0.00 0.00 41.96 40.33 1jof s TYR 337 CO -0.01 0.53 -0.03 0.50 -1.11 0.00 0.00 175.55 175.43 1jof s ARG 338 N -3.02 2.97 -0.31 -0.62 3.52 0.62 -4.34 118.95 117.77 1jof s ARG 338 Ca 0.28 -0.48 -0.08 0.00 -0.13 0.00 0.00 55.73 55.32 1jof s ARG 338 Cb -0.09 -2.72 0.01 0.00 -1.56 0.00 0.00 34.95 30.59 1jof s ARG 338 CO 0.18 0.63 0.11 -0.46 -0.81 0.00 0.00 175.30 174.95 1jof s TRP 339 N -0.70 3.17 -0.06 5.12 -0.00 0.91 -1.63 118.94 125.76 1jof s TRP 339 Ca 0.11 -0.95 -0.03 0.00 -0.00 0.00 0.00 56.10 55.24 1jof s TRP 339 Cb -0.11 -2.29 0.04 0.00 -0.00 0.00 0.00 33.47 31.10 1jof s TRP 339 CO 0.02 -0.58 0.13 0.21 -0.00 0.00 0.00 176.95 176.74 1jof s LYS 340 N 1.52 0.07 -1.64 5.86 2.47 -0.50 -4.56 119.74 122.95 1jof s LYS 340 Ca 0.02 0.36 -0.17 0.00 -1.56 0.00 0.00 55.97 54.63 1jof s LYS 340 Cb -0.18 -0.20 0.13 0.00 -1.46 0.00 0.00 37.83 36.13 1jof s LYS 340 CO 0.04 -0.18 0.86 -0.25 0.16 0.00 0.00 175.35 175.98 1jof n ASP 341 N 4.30 -3.91 -3.13 1.43 8.00 -1.26 -1.37 116.55 120.61 1jof n ASP 341 Ca -0.25 -0.92 -0.23 0.00 0.71 0.00 0.00 54.79 54.10 1jof n ASP 341 Cb 0.51 -3.16 0.03 0.00 -0.02 0.00 0.00 41.12 38.48 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 -4.49 -4.78 -4.10 -1.24 1.02 -1.26 -5.00 120.64 100.79 1jof n GLU 342 Ca 0.07 0.82 -0.14 0.00 -0.02 0.00 0.00 57.16 57.89 1jof n GLU 342 Cb 0.50 -5.67 -0.12 0.00 -0.02 0.00 0.00 31.44 26.13 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 -3.14 0.60 -0.11 -0.32 0.40 -0.47 -4.99 117.98 109.95 1jof s PHE 343 Ca 0.34 -0.36 -0.03 0.00 -0.60 0.00 0.00 56.93 56.29 1jof s PHE 343 Cb -0.16 -0.37 -0.03 0.00 0.51 0.00 0.00 43.02 42.97 1jof s PHE 343 CO 0.42 -0.06 -0.01 -1.17 0.70 0.00 0.00 175.22 175.11 1jof s LEU 344 N -1.07 3.49 -0.03 -0.37 2.96 -1.26 -1.40 118.68 120.99 1jof s LEU 344 Ca -0.06 0.05 -0.02 0.00 -0.22 0.00 0.00 54.13 53.89 1jof s LEU 344 Cb -0.07 -1.81 0.02 0.00 0.50 0.00 0.00 46.19 44.82 1jof s LEU 344 CO 0.00 0.30 0.06 -1.38 -1.32 0.00 0.00 176.35 174.02 1jof s HIS 345 N -0.42 -0.06 0.29 5.38 -3.43 -0.64 -4.97 115.29 111.45 1jof s HIS 345 Ca 0.08 0.20 -0.29 0.00 -0.80 0.00 0.00 55.06 54.24 1jof s HIS 345 Cb -0.12 -0.05 -0.10 0.00 -1.43 0.00 0.00 32.58 30.88 1jof s HIS 345 CO 0.02 -0.07 1.26 0.50 -2.00 0.00 0.00 174.74 174.46 1jof s ARG 346 N 0.45 4.43 0.00 -0.38 3.52 -1.26 -0.28 118.95 125.43 1jof s ARG 346 Ca -0.03 2.09 0.00 0.00 -0.13 0.00 0.00 55.73 57.65 1jof s ARG 346 Cb -0.05 -3.12 0.00 0.00 -1.56 0.00 0.00 34.95 30.22 1jof s ARG 346 CO -0.02 -0.11 0.00 1.33 -0.81 0.00 0.00 175.30 175.70 1jof n VAL 347 N 1.24 0.00 -3.46 7.11 0.24 -0.27 -4.87 118.33 118.31 1jof n VAL 347 Ca 0.01 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.19 1jof n VAL 347 Cb 0.43 0.24 -0.03 0.00 -1.47 0.00 0.00 33.84 33.01 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 -1.51 -1.70 -0.13 2.33 0.00 -1.13 -4.64 121.76 114.98 1jof s ALA 348 Ca 0.00 0.81 -0.30 0.00 0.00 0.00 0.00 51.96 52.47 1jof s ALA 348 Cb 0.00 0.54 0.13 0.00 0.00 0.00 0.00 23.12 23.79 1jof s ALA 348 CO 0.00 -0.66 1.02 -0.98 0.00 0.00 0.00 175.76 175.15 1jof s ARG 349 N -3.02 0.58 -0.02 0.00 1.70 -1.26 -0.56 118.95 116.37 1jof s ARG 349 Ca -0.00 -0.03 -0.03 0.00 -0.47 0.00 0.00 55.73 55.20 1jof s ARG 349 Cb -0.01 0.27 0.00 0.00 -0.57 0.00 0.00 34.95 34.64 1jof s ARG 349 CO -0.07 -0.21 0.07 0.54 -1.08 0.00 0.00 175.30 174.54 1jof s VAL 350 N -1.88 0.03 -0.13 4.99 0.11 -0.68 -4.62 120.40 118.23 1jof s VAL 350 Ca 0.03 -0.28 -0.06 0.00 -2.93 0.00 0.00 61.98 58.73 1jof s VAL 350 Cb -0.01 -0.20 -0.04 0.00 -1.53 0.00 0.00 36.38 34.61 1jof s VAL 350 CO -0.03 -0.15 0.10 -0.60 -3.33 0.00 0.00 175.10 171.08 1jof s ARG 351 N -0.47 3.49 -0.31 1.54 3.52 -1.26 -1.57 118.95 123.89 1jof s ARG 351 Ca -0.05 -0.23 0.03 0.00 -0.13 0.00 0.00 55.73 55.35 1jof s ARG 351 Cb -0.03 -3.13 0.08 0.00 -1.56 0.00 0.00 34.95 30.31 1jof s ARG 351 CO 0.00 0.65 -0.01 0.42 -0.81 0.00 0.00 175.30 175.55 1jof s ILE 352 N -0.67 2.16 -1.00 4.11 1.01 0.72 -5.00 121.20 122.52 1jof s ILE 352 Ca 0.12 -2.03 0.00 0.00 0.00 0.00 0.00 60.65 58.75 1jof s ILE 352 Cb -0.12 -2.48 0.00 0.00 0.01 0.00 0.00 42.46 39.88 1jof s ILE 352 CO 0.02 -0.38 0.00 -2.65 0.00 0.00 0.00 174.94 171.93 1jof n PRO 353 N 4.35 0.00 -3.97 2.79 -0.02 -1.26 -4.65 135.00 132.24 1jof n PRO 353 Ca -0.03 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.23 1jof n PRO 353 Cb 0.42 -0.92 -0.02 0.00 -0.02 0.00 0.00 33.50 32.96 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 -1.00 3.43 0.08 -0.52 0.41 -1.26 -5.03 118.70 114.80 1jof s GLU 354 Ca 0.00 -0.74 -0.33 0.00 -0.41 0.00 0.00 54.97 53.49 1jof s GLU 354 Cb 0.00 -2.89 -0.12 0.00 -1.78 0.00 0.00 34.13 29.34 1jof s GLU 354 CO 0.00 0.44 1.78 -2.30 -0.49 0.00 0.00 175.26 174.69 1jof n PRO 355 N -1.28 2.45 -1.05 0.39 -0.02 -1.26 -1.91 135.00 132.32 1jof n PRO 355 Ca -0.09 0.89 -0.02 0.00 -2.02 0.00 0.00 63.50 62.27 1jof n PRO 355 Cb 0.57 -2.74 -0.01 0.00 -0.02 0.00 0.00 33.50 31.30 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 4.05 0.25 3.73 -1.23 0.00 -1.26 -4.35 105.19 106.38 1jof n GLY 356 Ca 0.19 -0.02 -0.42 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 -1.33 3.01 0.00 1.61 5.36 -0.80 -0.92 117.98 124.91 1jof s PHE 357 Ca 0.00 0.79 0.00 0.00 -0.96 0.00 0.00 56.93 56.76 1jof s PHE 357 Cb 0.00 -3.90 0.00 0.00 -0.34 0.00 0.00 43.02 38.78 1jof s PHE 357 CO 0.00 -3.16 0.00 0.41 -1.46 0.00 0.00 175.22 171.01 1jof n GLY 358 N 2.98 1.72 3.88 13.12 0.00 -1.20 -3.90 105.19 121.80 1jof n GLY 358 Ca 0.10 -0.78 -0.33 0.00 0.00 0.00 0.00 46.02 45.01 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 6.57 -0.07 1.61 4.22 -1.26 -3.35 114.94 122.66 1jof s ASN 360 Ca 0.00 0.73 0.02 0.00 -2.14 0.00 0.00 52.86 51.47 1jof s ASN 360 Cb 0.00 -2.15 -0.02 0.00 1.28 0.00 0.00 41.25 40.36 1jof s ASN 360 CO 0.00 0.08 -0.13 0.00 -2.04 0.00 0.00 177.10 175.01 1jof s ALA 361 N -1.59 2.72 -0.01 3.54 0.00 -1.26 -3.58 121.76 121.58 1jof s ALA 361 Ca 0.39 -0.94 0.07 0.00 0.00 0.00 0.00 51.96 51.48 1jof s ALA 361 Cb -0.13 -1.07 -0.02 0.00 0.00 0.00 0.00 23.12 21.90 1jof s ALA 361 CO 0.21 0.49 -0.23 0.96 0.00 0.00 0.00 175.76 177.20 1jof s ILE 362 N -0.50 1.79 -0.12 0.00 -4.36 -1.26 -4.79 121.20 111.96 1jof s ILE 362 Ca 0.07 -1.01 -0.19 0.00 -0.26 0.00 0.00 60.65 59.26 1jof s ILE 362 Cb -0.12 -1.50 -0.04 0.00 1.25 0.00 0.00 42.46 42.06 1jof s ILE 362 CO 0.02 0.47 0.51 0.26 0.24 0.00 0.00 174.94 176.44 1jof s TRP 363 N -0.57 3.51 -0.08 1.37 0.52 -1.26 -4.31 118.94 118.12 1jof s TRP 363 Ca 0.09 0.93 0.04 0.00 0.02 0.00 0.00 56.10 57.17 1jof s TRP 363 Cb -0.09 -2.60 0.00 0.00 -1.15 0.00 0.00 33.47 29.64 1jof s TRP 363 CO -0.01 0.13 -0.20 -0.47 0.02 0.00 0.00 176.95 176.43 1jof s TYR 364 N 0.75 2.12 0.00 -1.98 5.04 -0.68 -4.99 117.35 117.61 1jof s TYR 364 Ca 0.27 -0.79 0.00 0.00 -2.44 0.00 0.00 57.07 54.11 1jof s TYR 364 Cb -0.15 -1.44 0.00 0.00 0.35 0.00 0.00 41.96 40.71 1jof s TYR 364 CO 0.11 -0.32 0.00 -0.25 -1.34 0.00 0.00 175.55 173.75