#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 4.36 0.20 2.45 1.43 -1.26 -2.12 118.68 123.74 1jof s LEU 2 Ca 0.00 0.70 0.04 0.00 -1.03 0.00 0.00 54.13 53.84 1jof s LEU 2 Cb 0.00 -2.87 -0.05 0.00 0.03 0.00 0.00 46.19 43.30 1jof s LEU 2 CO 0.00 0.20 -0.04 -1.00 0.23 0.00 0.00 176.35 175.74 1jof s HIS 3 N -1.36 1.48 0.00 0.29 3.76 -0.10 -4.97 115.29 114.38 1jof s HIS 3 Ca 0.31 -0.86 0.01 0.00 -0.15 0.00 0.00 55.06 54.37 1jof s HIS 3 Cb -0.14 -0.82 -0.00 0.00 1.11 0.00 0.00 32.58 32.73 1jof s HIS 3 CO 0.18 0.02 -0.02 -1.01 -0.85 0.00 0.00 174.74 173.05 1jof s HIS 4 N -3.37 0.17 0.00 1.40 3.76 -0.89 -0.92 115.29 115.44 1jof s HIS 4 Ca 0.24 -0.07 0.00 0.00 -0.15 0.00 0.00 55.06 55.09 1jof s HIS 4 Cb 0.04 -0.11 0.00 0.00 1.11 0.00 0.00 32.58 33.63 1jof s HIS 4 CO 0.06 -0.01 0.00 1.28 -0.85 0.00 0.00 174.74 175.22 1jof n LEU 5 N 2.92 0.00 0.00 0.89 4.32 0.46 -1.44 117.00 124.15 1jof n LEU 5 Ca -0.13 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.86 1jof n LEU 5 Cb 0.59 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.39 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 -2.84 -0.08 -0.00 -0.33 -0.59 119.36 115.52 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 -0.35 4.31 3.10 7.39 0.00 -1.24 -1.37 105.19 117.04 1jof n GLY 8 Ca 0.00 -2.08 -0.08 0.00 0.00 0.00 0.00 46.02 43.86 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 0.99 0.29 -0.93 2.61 -4.23 -0.53 -3.16 115.64 110.68 1jof s THR 9 Ca 0.00 -1.80 0.25 0.00 -1.18 0.00 0.00 61.69 58.96 1jof s THR 9 Cb 0.00 -1.51 0.04 0.00 1.34 0.00 0.00 72.50 72.37 1jof s THR 9 CO 0.00 -0.97 1.45 1.87 -0.54 0.00 0.00 174.62 176.43 1jof n TRP 10 N 0.13 0.10 -4.02 3.99 -0.00 -0.59 -2.97 117.44 114.10 1jof n TRP 10 Ca -0.14 0.03 -0.08 0.00 -0.00 0.00 0.00 57.50 57.31 1jof n TRP 10 Cb 0.61 -0.35 -0.10 0.00 -0.00 0.00 0.00 31.31 31.46 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 -3.03 0.16 0.70 5.87 2.01 -1.26 -4.98 115.64 115.11 1jof s THR 11 Ca 0.10 -1.33 -0.13 0.00 0.31 0.00 0.00 61.69 60.64 1jof s THR 11 Cb 0.17 -0.92 0.02 0.00 0.01 0.00 0.00 72.50 71.78 1jof s THR 11 CO 0.69 -0.73 1.10 -2.84 -0.69 0.00 0.00 174.62 172.14 1jof s PRO 12 N -2.74 2.60 0.38 4.92 0.02 -1.26 -4.47 135.00 134.45 1jof s PRO 12 Ca -0.04 1.29 -0.25 0.00 0.02 0.00 0.00 61.00 62.02 1jof s PRO 12 Cb -0.01 -1.93 -0.09 0.00 0.02 0.00 0.00 34.50 32.49 1jof s PRO 12 CO -0.06 -1.39 1.07 -1.25 -0.33 0.00 0.00 177.00 175.04 1jof s PRO 13 N -4.44 4.23 0.37 5.54 0.04 -1.26 -4.82 135.00 134.66 1jof s PRO 13 Ca 0.64 1.60 -0.26 0.00 0.04 0.00 0.00 61.00 63.02 1jof s PRO 13 Cb -0.19 -2.67 -0.09 0.00 0.04 0.00 0.00 34.50 31.60 1jof s PRO 13 CO 0.47 -0.10 1.20 0.20 0.04 0.00 0.00 177.00 178.81 1jof s GLY 14 N -1.40 2.92 -0.13 0.56 0.00 -0.64 -4.87 107.32 103.77 1jof s GLY 14 Ca 0.55 1.03 -0.30 0.00 0.00 0.00 0.00 44.72 46.01 1jof s GLY 14 CO 0.31 1.59 0.94 0.00 0.00 0.00 0.00 173.10 175.94 1jof s ALA 15 N -1.32 -1.90 -0.17 3.20 0.00 -1.26 -3.13 121.76 117.18 1jof s ALA 15 Ca 0.54 1.49 -0.01 0.00 0.00 0.00 0.00 51.96 53.98 1jof s ALA 15 Cb -0.33 -0.49 -0.01 0.00 0.00 0.00 0.00 23.12 22.29 1jof s ALA 15 CO 0.42 -0.35 -0.10 0.42 0.00 0.00 0.00 175.76 176.14 1jof s ILE 16 N -1.32 3.07 -0.14 0.00 1.01 -0.14 -4.43 121.20 119.25 1jof s ILE 16 Ca -0.03 -0.63 -0.07 0.00 0.00 0.00 0.00 60.65 59.93 1jof s ILE 16 Cb -0.00 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 1jof s ILE 16 CO 0.02 0.49 0.11 -0.36 0.00 0.00 0.00 174.94 175.20 1jof s PHE 17 N 0.89 3.46 -0.27 3.97 0.40 -0.47 -0.79 117.98 125.17 1jof s PHE 17 Ca -0.03 0.39 -0.05 0.00 -0.60 0.00 0.00 56.93 56.64 1jof s PHE 17 Cb -0.15 -1.99 0.01 0.00 0.51 0.00 0.00 43.02 41.40 1jof s PHE 17 CO 0.00 0.53 0.03 0.99 0.70 0.00 0.00 175.22 177.47 1jof s THR 18 N -0.50 3.66 -0.02 0.64 2.01 0.24 -1.19 115.64 120.48 1jof s THR 18 Ca 0.12 -0.70 0.00 0.00 0.31 0.00 0.00 61.69 61.42 1jof s THR 18 Cb -0.12 -2.84 -0.04 0.00 0.01 0.00 0.00 72.50 69.52 1jof s THR 18 CO 0.02 0.17 0.03 -0.69 -0.69 0.00 0.00 174.62 173.46 1jof s VAL 19 N 1.47 4.37 -0.11 3.82 1.01 0.24 -0.74 120.40 130.45 1jof s VAL 19 Ca 0.03 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 1jof s VAL 19 Cb -0.16 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 1jof s VAL 19 CO 0.00 0.42 -0.06 -1.58 0.00 0.00 0.00 175.10 173.88 1jof s GLN 20 N -1.47 3.22 -0.17 2.72 0.74 0.33 -0.41 119.66 124.62 1jof s GLN 20 Ca 0.19 -0.55 0.01 0.00 0.05 0.00 0.00 55.36 55.07 1jof s GLN 20 Cb -0.12 -2.74 0.02 0.00 1.10 0.00 0.00 33.01 31.27 1jof s GLN 20 CO 0.10 0.44 -0.19 0.12 -0.55 0.00 0.00 175.29 175.20 1jof s PHE 21 N -0.19 2.62 -0.41 1.67 5.36 -0.10 -1.89 117.98 125.04 1jof s PHE 21 Ca 0.03 -1.50 -0.18 0.00 -0.96 0.00 0.00 56.93 54.32 1jof s PHE 21 Cb -0.13 -1.83 0.02 0.00 -0.34 0.00 0.00 43.02 40.74 1jof s PHE 21 CO 0.03 -0.74 0.48 0.34 -1.46 0.00 0.00 175.22 173.86 1jof s ASP 22 N 1.24 6.23 0.00 6.13 -1.08 -0.82 -0.92 116.67 127.45 1jof s ASP 22 Ca 0.03 -0.53 0.27 0.00 -0.52 0.00 0.00 52.55 51.80 1jof s ASP 22 Cb -0.13 -2.24 1.59 0.00 -1.46 0.00 0.00 42.92 40.68 1jof s ASP 22 CO -0.11 -0.59 1.95 -0.90 0.52 0.00 0.00 175.17 176.05 1jof n ASP 23 N 5.72 0.00 -0.13 -0.34 5.68 -0.90 0.01 116.55 126.60 1jof n ASP 23 Ca -0.06 -0.80 -0.24 0.00 -0.50 0.00 0.00 54.79 53.19 1jof n ASP 23 Cb 0.48 -0.02 -0.10 0.00 -1.14 0.00 0.00 41.12 40.34 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 -1.02 0.57 0.09 0.11 1.02 -1.26 -4.48 120.64 115.68 1jof n GLU 24 Ca 0.20 0.21 0.12 0.00 -0.02 0.00 0.00 57.16 57.66 1jof n GLU 24 Cb 0.10 -1.44 0.17 0.00 -0.02 0.00 0.00 31.44 30.25 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 -0.60 0.00 -5.48 3.49 1.57 -1.94 -3.48 116.57 110.12 1jof h LYS 25 Ca -0.62 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 57.90 1jof h LYS 25 Cb 1.67 0.00 0.19 0.00 0.08 0.00 0.00 32.23 34.18 1jof h LYS 25 CO -0.29 0.00 -0.86 1.28 -0.57 0.00 0.00 179.45 179.01 1jof n LEU 26 N -2.34 -5.51 -4.25 2.94 4.77 0.10 -5.04 117.00 107.68 1jof n LEU 26 Ca 0.03 -0.72 -0.14 0.00 -0.03 0.00 0.00 56.01 55.15 1jof n LEU 26 Cb 0.47 -3.19 -0.10 0.00 -2.33 0.00 0.00 43.42 38.27 1jof n LEU 26 CO 0.36 0.12 -0.34 0.42 -1.33 0.00 0.00 177.39 176.63 1jof s THR 27 N -3.39 0.77 -0.03 -5.08 -4.23 -1.09 -4.45 115.64 98.14 1jof s THR 27 Ca 0.44 -1.99 0.03 0.00 -1.18 0.00 0.00 61.69 58.99 1jof s THR 27 Cb -0.06 -2.13 0.00 0.00 1.34 0.00 0.00 72.50 71.65 1jof s THR 27 CO 0.74 -0.48 -0.12 0.00 -0.54 0.00 0.00 174.62 174.23 1jof s LYS 29 N 0.13 0.08 -0.05 0.00 3.01 -0.79 -4.79 119.74 117.33 1jof s LYS 29 Ca -0.03 0.20 -0.30 0.00 -1.01 0.00 0.00 55.97 54.83 1jof s LYS 29 Cb -0.09 -0.06 -0.03 0.00 -1.01 0.00 0.00 37.83 36.64 1jof s LYS 29 CO 0.01 -0.08 1.06 -1.17 0.51 0.00 0.00 175.35 175.68 1jof s LEU 30 N 0.53 4.30 0.00 3.17 2.96 -1.26 -0.52 118.68 127.86 1jof s LEU 30 Ca -0.04 1.68 0.05 0.00 -0.22 0.00 0.00 54.13 55.59 1jof s LEU 30 Cb -0.06 -3.56 0.04 0.00 0.50 0.00 0.00 46.19 43.11 1jof s LEU 30 CO -0.02 -0.43 0.66 2.30 -1.32 0.00 0.00 176.35 177.55 1jof n ILE 31 N 4.31 0.04 -3.65 6.68 -5.35 0.08 -4.93 119.36 116.54 1jof n ILE 31 Ca 0.08 -0.52 -0.02 0.00 -0.27 0.00 0.00 62.75 62.03 1jof n ILE 31 Cb 0.49 1.07 -0.06 0.00 -1.74 0.00 0.00 39.64 39.39 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 -0.41 0.25 -0.35 6.28 2.47 -1.12 -4.96 119.74 121.91 1jof s LYS 32 Ca 0.06 0.40 0.02 0.00 -1.56 0.00 0.00 55.97 54.89 1jof s LYS 32 Cb 0.04 0.07 0.10 0.00 -1.46 0.00 0.00 37.83 36.57 1jof s LYS 32 CO 0.06 -0.05 0.07 0.50 0.16 0.00 0.00 175.35 176.09 1jof s ARG 33 N 0.97 1.74 -0.26 4.03 3.52 -1.26 -0.59 118.95 127.10 1jof s ARG 33 Ca -0.05 -1.77 -0.20 0.00 -0.13 0.00 0.00 55.73 53.58 1jof s ARG 33 Cb -0.03 -3.26 -0.02 0.00 -1.56 0.00 0.00 34.95 30.07 1jof s ARG 33 CO -0.12 -0.91 0.61 0.99 -0.81 0.00 0.00 175.30 175.05 1jof s THR 34 N 1.00 4.99 0.29 4.11 2.01 0.03 -4.92 115.64 123.15 1jof s THR 34 Ca 0.07 1.03 -0.29 0.00 0.31 0.00 0.00 61.69 62.82 1jof s THR 34 Cb -0.20 -3.92 -0.10 0.00 0.01 0.00 0.00 72.50 68.29 1jof s THR 34 CO -0.06 0.01 1.10 -0.70 -0.69 0.00 0.00 174.62 174.28 1jof s GLU 35 N 2.48 4.61 0.20 4.92 2.12 -1.26 -0.97 118.70 130.80 1jof s GLU 35 Ca 0.25 1.80 0.01 0.00 0.36 0.00 0.00 54.97 57.39 1jof s GLU 35 Cb -0.15 -3.15 -0.05 0.00 0.26 0.00 0.00 34.13 31.04 1jof s GLU 35 CO 0.09 0.19 0.06 0.96 -0.54 0.00 0.00 175.26 176.02 1jof s ILE 36 N -1.19 0.45 -0.36 -3.70 -4.36 -1.18 -4.90 121.20 105.95 1jof s ILE 36 Ca 0.45 -1.98 -0.32 0.00 -0.26 0.00 0.00 60.65 58.54 1jof s ILE 36 Cb -0.32 -2.33 -0.14 0.00 1.25 0.00 0.00 42.46 40.93 1jof s ILE 36 CO 0.41 -0.25 1.40 -2.65 0.24 0.00 0.00 174.94 174.08 1jof n PRO 37 N -0.29 0.00 -0.35 0.37 -0.02 -1.26 -4.41 135.00 129.04 1jof n PRO 37 Ca -0.03 0.00 0.33 0.00 -2.02 0.00 0.00 63.50 61.78 1jof n PRO 37 Cb 0.65 -1.08 0.59 0.00 -0.02 0.00 0.00 33.50 33.64 1jof n PRO 37 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jof n GLN 38 N 4.49 -0.05 -0.77 -0.52 0.00 -1.26 -0.23 117.38 119.04 1jof n GLN 38 Ca 0.33 1.28 0.08 0.00 0.00 0.00 0.00 57.00 58.69 1jof n GLN 38 Cb -0.03 -2.37 0.37 0.00 0.00 0.00 0.00 30.24 28.21 1jof n GLN 38 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 1jof n ASP 39 N -5.01 5.25 -2.56 2.61 5.75 -1.26 -1.62 116.55 119.71 1jof n ASP 39 Ca 0.37 -2.91 -0.26 0.00 -0.01 0.00 0.00 54.79 51.98 1jof n ASP 39 Cb 1.31 -0.64 -0.00 0.00 -1.03 0.00 0.00 41.12 40.75 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 0.40 3.21 -1.90 0.11 1.02 0.68 -4.71 120.64 119.45 1jof n GLU 40 Ca 0.26 -4.45 -0.39 0.00 -0.02 0.00 0.00 57.16 52.56 1jof n GLU 40 Cb 1.11 -2.17 0.01 0.00 -0.02 0.00 0.00 31.44 30.37 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 -3.49 3.71 -0.47 3.49 0.04 -1.26 -4.78 135.00 132.24 1jof s PRO 41 Ca 0.46 2.28 -0.17 0.00 0.04 0.00 0.00 61.00 63.61 1jof s PRO 41 Cb 0.39 -2.62 0.05 0.00 0.04 0.00 0.00 34.50 32.36 1jof s PRO 41 CO -0.17 -0.75 0.50 0.42 0.04 0.00 0.00 177.00 177.05 1jof s ILE 42 N -1.25 5.05 -1.07 0.56 1.01 -1.23 -4.24 121.20 120.02 1jof s ILE 42 Ca 0.61 -0.62 0.27 0.00 0.00 0.00 0.00 60.65 60.91 1jof s ILE 42 Cb -0.41 -4.17 0.15 0.00 0.01 0.00 0.00 42.46 38.04 1jof s ILE 42 CO 0.52 -0.63 1.67 -1.54 0.00 0.00 0.00 174.94 174.96 1jof n SER 43 N 5.71 0.30 -3.53 3.58 3.41 -0.71 -1.45 113.62 120.92 1jof n SER 43 Ca -0.09 0.03 -0.12 0.00 -0.26 0.00 0.00 58.87 58.43 1jof n SER 43 Cb 0.45 -0.09 -0.04 0.00 -0.26 0.00 0.00 64.21 64.27 1jof n SER 43 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1jof s TRP 44 N -2.95 -0.40 0.00 7.33 -0.11 -1.24 -4.56 118.94 117.01 1jof s TRP 44 Ca 0.14 0.23 0.00 0.00 1.22 0.00 0.00 56.10 57.69 1jof s TRP 44 Cb 0.18 0.40 0.00 0.00 -1.50 0.00 0.00 33.47 32.55 1jof s TRP 44 CO 0.61 -0.74 0.00 -2.37 -4.62 0.00 0.00 176.95 169.83 1jof n THR 46 N -0.10 0.00 -3.33 5.86 5.66 -0.73 -0.70 114.28 120.95 1jof n THR 46 Ca -0.17 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.57 1jof n THR 46 Cb 0.63 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 0.46 1.09 0.40 -1.26 -1.01 117.98 119.16 1jof s PHE 47 Ca 0.00 0.47 -0.06 0.00 -0.60 0.00 0.00 56.93 56.74 1jof s PHE 47 Cb 0.00 -1.99 0.10 0.00 0.51 0.00 0.00 43.02 41.65 1jof s PHE 47 CO 0.00 0.12 0.63 -0.40 0.70 0.00 0.00 175.22 176.27 1jof n ASP 48 N -1.49 0.27 0.32 1.36 5.75 -0.91 -4.72 116.55 117.13 1jof n ASP 48 Ca -0.03 -1.36 0.22 0.00 -0.01 0.00 0.00 54.79 53.60 1jof n ASP 48 Cb 0.55 -0.46 1.10 0.00 -1.03 0.00 0.00 41.12 41.28 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 -0.14 2.11 2.07 -1.88 -2.23 115.15 113.99 1jof h HIS 49 Ca -0.20 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.32 1jof h HIS 49 Cb 0.62 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.60 1jof h HIS 49 CO 0.00 0.00 0.00 0.39 -3.07 0.00 0.00 177.93 175.25 1jof n GLU 50 N -3.06 2.16 -2.94 5.12 1.02 -1.26 -4.98 120.64 116.70 1jof n GLU 50 Ca -0.02 -1.55 -0.22 0.00 -0.02 0.00 0.00 57.16 55.34 1jof n GLU 50 Cb 0.12 -1.13 0.02 0.00 -0.02 0.00 0.00 31.44 30.43 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 0.10 -4.15 -0.00 3.49 1.74 -0.84 -4.84 116.66 112.16 1jof n ARG 51 Ca 0.05 0.87 0.10 0.00 -0.77 0.00 0.00 57.85 58.10 1jof n ARG 51 Cb 0.29 -5.68 -0.13 0.00 -1.02 0.00 0.00 32.46 25.93 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 -3.80 0.21 -4.09 5.56 5.02 -1.26 -4.82 118.16 114.98 1jof n LYS 52 Ca -0.13 -0.04 -0.11 0.00 -2.02 0.00 0.00 58.31 56.02 1jof n LYS 52 Cb 0.62 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 34.04 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 -3.26 0.82 -0.10 4.39 0.01 -1.26 0.35 114.94 115.90 1jof s ASN 53 Ca 0.05 -0.74 0.02 0.00 -0.71 0.00 0.00 52.86 51.48 1jof s ASN 53 Cb 0.15 0.08 0.01 0.00 0.41 0.00 0.00 41.25 41.91 1jof s ASN 53 CO 0.86 -0.35 -0.15 -0.63 -1.51 0.00 0.00 177.10 175.32 1jof s ILE 54 N -2.39 1.47 0.02 0.60 1.01 0.13 -2.15 121.20 119.90 1jof s ILE 54 Ca -0.02 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.02 1jof s ILE 54 Cb -0.03 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 41.07 1jof s ILE 54 CO -0.03 0.43 -0.05 -0.31 0.00 0.00 0.00 174.94 174.99 1jof s TYR 55 N 0.83 2.92 0.02 3.97 1.51 -0.18 -0.51 117.35 125.91 1jof s TYR 55 Ca -0.10 -0.02 -0.00 0.00 -1.01 0.00 0.00 57.07 55.93 1jof s TYR 55 Cb -0.15 -1.60 -0.02 0.00 -0.11 0.00 0.00 41.96 40.08 1jof s TYR 55 CO 0.01 0.41 -0.02 0.20 -1.11 0.00 0.00 175.55 175.03 1jof s GLY 56 N -1.60 0.20 -0.61 0.71 0.00 -0.19 -1.77 107.32 104.06 1jof s GLY 56 Ca 0.19 -0.48 -0.24 0.00 0.00 0.00 0.00 44.72 44.19 1jof s GLY 56 CO 0.10 -0.54 0.99 0.00 0.00 0.00 0.00 173.10 173.65 1jof s ALA 57 N -1.20 3.10 -0.03 3.20 0.00 0.13 -1.81 121.76 125.13 1jof s ALA 57 Ca -0.13 -1.44 -0.00 0.00 0.00 0.00 0.00 51.96 50.39 1jof s ALA 57 Cb -0.08 -3.84 -0.02 0.00 0.00 0.00 0.00 23.12 19.17 1jof s ALA 57 CO -0.01 -2.62 -0.03 0.00 0.00 0.00 0.00 175.76 173.10 1jof n ALA 58 N 7.78 2.09 0.00 0.00 0.00 -1.26 -1.74 120.51 127.38 1jof n ALA 58 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1jof n ALA 58 Cb 0.47 0.43 0.00 0.00 0.00 0.00 0.00 19.45 20.35 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 -2.71 0.00 -4.40 0.00 4.76 -1.26 -4.63 118.16 109.92 1jof n LYS 60 Ca -0.06 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.18 1jof n LYS 60 Cb 0.56 -0.22 -0.10 0.00 -1.84 0.00 0.00 35.03 33.43 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 -0.08 1.49 -0.29 1.97 -0.14 -1.26 -3.82 119.74 117.61 1jof s LYS 61 Ca 0.00 -1.76 0.03 0.00 -1.36 0.00 0.00 55.97 52.88 1jof s LYS 61 Cb 0.00 -0.97 0.08 0.00 -1.68 0.00 0.00 37.83 35.26 1jof s LYS 61 CO 0.00 -0.02 -0.04 -1.58 -0.76 0.00 0.00 175.35 172.95 1jof s TRP 62 N -3.16 3.46 0.24 3.18 0.52 0.17 -4.63 118.94 118.72 1jof s TRP 62 Ca 0.29 -2.55 0.05 0.00 0.02 0.00 0.00 56.10 53.91 1jof s TRP 62 Cb 0.05 -2.33 -0.03 0.00 -1.15 0.00 0.00 33.47 30.00 1jof s TRP 62 CO 0.11 -0.90 0.36 -1.54 0.02 0.00 0.00 176.95 174.99 1jof s SER 63 N 1.06 6.30 -0.05 2.95 1.04 -0.75 -0.72 113.70 123.53 1jof s SER 63 Ca -0.01 0.06 0.01 0.00 0.48 0.00 0.00 55.95 56.50 1jof s SER 63 Cb -0.20 -1.85 0.02 0.00 0.10 0.00 0.00 66.02 64.09 1jof s SER 63 CO -0.06 -0.07 -0.06 -0.55 0.98 0.00 0.00 173.24 173.48 1jof s SER 64 N -3.97 1.08 0.00 7.02 0.15 0.58 -1.03 113.70 117.54 1jof s SER 64 Ca 0.34 -0.16 0.04 0.00 0.70 0.00 0.00 55.95 56.86 1jof s SER 64 Cb -0.09 -0.51 -0.01 0.00 -1.71 0.00 0.00 66.02 63.70 1jof s SER 64 CO 0.29 -0.03 -0.11 -0.36 1.20 0.00 0.00 173.24 174.23 1jof s PHE 65 N 0.81 1.00 -0.04 3.44 0.40 0.33 -0.63 117.98 123.29 1jof s PHE 65 Ca -0.12 -0.23 -0.14 0.00 -0.60 0.00 0.00 56.93 55.84 1jof s PHE 65 Cb -0.14 -0.63 -0.05 0.00 0.51 0.00 0.00 43.02 42.70 1jof s PHE 65 CO 0.01 -0.01 0.38 0.00 0.70 0.00 0.00 175.22 176.30 1jof s ALA 66 N -0.42 3.68 -0.24 5.36 0.00 -0.51 0.18 121.76 129.81 1jof s ALA 66 Ca 0.03 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 51.73 1jof s ALA 66 Cb -0.05 -2.38 0.04 0.00 0.00 0.00 0.00 23.12 20.74 1jof s ALA 66 CO -0.00 0.40 -0.11 0.08 0.00 0.00 0.00 175.76 176.13 1jof s VAL 67 N -0.74 2.33 -0.08 0.00 1.01 0.16 -0.72 120.40 122.36 1jof s VAL 67 Ca 0.22 -1.35 0.10 0.00 0.00 0.00 0.00 61.98 60.96 1jof s VAL 67 Cb -0.16 -2.25 -0.24 0.00 0.00 0.00 0.00 36.38 33.74 1jof s VAL 67 CO 0.11 0.14 0.51 2.29 0.00 0.00 0.00 175.10 178.15 1jof n LYS 68 N 4.53 0.66 -3.83 2.72 2.85 -0.38 -4.67 118.16 120.04 1jof n LYS 68 Ca -0.16 0.25 -0.07 0.00 -1.05 0.00 0.00 58.31 57.28 1jof n LYS 68 Cb 0.45 -1.74 0.00 0.00 -0.65 0.00 0.00 35.03 33.09 1jof n LYS 68 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1jof s SER 69 N -6.17 -0.12 0.55 -5.58 1.04 -1.22 -4.97 113.70 97.23 1jof s SER 69 Ca -0.09 -0.77 0.28 0.00 0.48 0.00 0.00 55.95 55.85 1jof s SER 69 Cb 0.08 0.70 1.46 0.00 0.10 0.00 0.00 66.02 68.36 1jof s SER 69 CO 0.81 -1.35 1.95 -0.65 0.98 0.00 0.00 173.24 174.98 1jof h PRO 70 N 2.00 0.00 -0.09 4.02 0.11 -1.99 -1.63 132.00 134.43 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 -4.15 0.14 -3.93 -1.15 -2.24 -1.26 -4.80 114.28 96.89 1jof n THR 71 Ca 0.11 -0.57 -0.30 0.00 -2.27 0.00 0.00 64.05 61.02 1jof n THR 71 Cb 0.69 1.22 -0.14 0.00 -2.10 0.00 0.00 70.33 69.99 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 -1.28 1.67 -0.18 -0.78 2.02 -0.61 -5.03 118.70 114.51 1jof s GLU 72 Ca 0.21 -2.24 0.01 0.00 0.02 0.00 0.00 54.97 52.97 1jof s GLU 72 Cb 0.14 -3.08 0.03 0.00 0.10 0.00 0.00 34.13 31.32 1jof s GLU 72 CO 0.20 -1.06 -0.15 0.42 0.02 0.00 0.00 175.26 174.69 1jof s ILE 73 N 0.25 1.79 -0.18 -1.63 1.01 -1.26 -1.25 121.20 119.92 1jof s ILE 73 Ca 0.15 -0.89 -0.01 0.00 0.00 0.00 0.00 60.65 59.90 1jof s ILE 73 Cb -0.23 -1.71 0.00 0.00 0.01 0.00 0.00 42.46 40.53 1jof s ILE 73 CO -0.04 0.39 -0.13 -0.69 0.00 0.00 0.00 174.94 174.47 1jof s VAL 74 N 1.38 2.72 0.11 2.92 1.01 0.11 -4.94 120.40 123.70 1jof s VAL 74 Ca 0.03 -0.73 -0.31 0.00 0.00 0.00 0.00 61.98 60.96 1jof s VAL 74 Cb -0.14 -2.18 -0.11 0.00 0.00 0.00 0.00 36.38 33.95 1jof s VAL 74 CO -0.11 0.49 1.84 1.57 0.00 0.00 0.00 175.10 178.90 1jof n HIS 75 N 4.47 2.59 0.01 5.22 -0.00 -1.26 -1.43 115.22 124.82 1jof n HIS 75 Ca -0.19 -0.14 0.02 0.00 0.46 0.00 0.00 57.72 57.86 1jof n HIS 75 Cb 0.51 -2.73 -0.03 0.00 -0.12 0.00 0.00 29.99 27.62 1jof n HIS 75 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1jof n GLU 76 N 5.74 0.68 -3.59 1.57 1.02 0.20 -4.92 120.64 121.35 1jof n GLU 76 Ca 0.18 -0.03 -0.05 0.00 -0.02 0.00 0.00 57.16 57.25 1jof n GLU 76 Cb 0.37 -1.04 -0.02 0.00 -0.02 0.00 0.00 31.44 30.73 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 -2.15 -2.05 -0.22 0.62 0.00 -1.06 -4.97 121.76 111.92 1jof s ALA 77 Ca -0.01 1.56 -0.03 0.00 0.00 0.00 0.00 51.96 53.48 1jof s ALA 77 Cb 0.02 -0.10 0.12 0.00 0.00 0.00 0.00 23.12 23.16 1jof s ALA 77 CO 0.14 -0.59 0.33 -1.12 0.00 0.00 0.00 175.76 174.51 1jof s SER 78 N -2.18 0.56 0.15 0.00 0.01 -1.26 -0.30 113.70 110.67 1jof s SER 78 Ca 0.09 0.15 0.02 0.00 1.31 0.00 0.00 55.95 57.52 1jof s SER 78 Cb -0.01 0.89 -0.04 0.00 0.21 0.00 0.00 66.02 67.07 1jof s SER 78 CO -0.05 -0.30 0.29 -1.00 0.41 0.00 0.00 173.24 172.59 1jof s HIS 79 N 2.48 3.49 0.71 2.43 3.76 0.10 -4.85 115.29 123.41 1jof s HIS 79 Ca 0.10 0.16 -0.11 0.00 -0.15 0.00 0.00 55.06 55.06 1jof s HIS 79 Cb -0.15 -1.70 0.02 0.00 1.11 0.00 0.00 32.58 31.86 1jof s HIS 79 CO -0.14 0.51 1.09 -1.25 -0.85 0.00 0.00 174.74 174.10 1jof s PRO 80 N -3.16 2.72 0.09 8.40 0.04 -1.26 -0.66 135.00 141.17 1jof s PRO 80 Ca 0.35 0.37 -0.31 0.00 0.04 0.00 0.00 61.00 61.45 1jof s PRO 80 Cb -0.11 -2.03 -0.06 0.00 0.04 0.00 0.00 34.50 32.33 1jof s PRO 80 CO 0.28 -1.10 1.22 0.42 0.04 0.00 0.00 177.00 177.87 1jof s ILE 81 N -3.37 3.85 0.50 0.56 1.01 -1.25 -4.77 121.20 117.74 1jof s ILE 81 Ca 0.58 1.37 0.05 0.00 0.00 0.00 0.00 60.65 62.66 1jof s ILE 81 Cb -0.11 -3.88 0.03 0.00 0.01 0.00 0.00 42.46 38.52 1jof s ILE 81 CO 0.51 0.13 0.69 -0.83 0.00 0.00 0.00 174.94 175.44 1jof s GLY 82 N 0.86 1.87 0.00 6.18 0.00 -1.26 -4.66 107.32 110.32 1jof s GLY 82 Ca 0.58 -1.60 0.00 0.00 0.00 0.00 0.00 44.72 43.70 1jof s GLY 82 CO 0.31 -1.33 0.00 0.61 0.00 0.00 0.00 173.10 172.69 1jof n GLY 83 N -2.13 0.90 3.76 0.20 0.00 -1.26 -4.88 105.19 101.79 1jof n GLY 83 Ca 0.09 -1.07 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 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 3.20 0.22 1.61 5.65 -1.26 -4.94 115.29 119.77 1jof s HIS 84 Ca 0.00 1.46 -0.08 0.00 0.25 0.00 0.00 55.06 56.69 1jof s HIS 84 Cb 0.00 -3.58 0.33 0.00 -1.18 0.00 0.00 32.58 28.15 1jof s HIS 84 CO 0.00 -1.54 1.72 -1.35 -0.65 0.00 0.00 174.74 172.92 1jof h PRO 85 N 3.70 0.33 0.00 2.88 0.11 -1.94 -2.46 132.00 134.62 1jof h PRO 85 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1jof h PRO 85 Cb 1.22 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1jof h PRO 85 CO 0.67 0.22 0.00 0.54 -0.21 0.00 0.00 178.00 179.22 1jof n ARG 86 N -5.06 0.04 -0.31 1.05 1.74 -1.26 -3.87 116.66 108.98 1jof n ARG 86 Ca 0.10 0.12 0.27 0.00 -0.77 0.00 0.00 57.85 57.57 1jof n ARG 86 Cb 0.33 -1.50 0.61 0.00 -1.02 0.00 0.00 32.46 30.87 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 2.79 2.57 0.00 7.54 0.00 -1.69 0.06 119.26 130.53 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 0.36 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1jof h ALA 87 CO 0.00 -0.94 -0.79 0.09 0.00 0.00 0.00 179.25 177.61 1jof n ASN 88 N -4.45 0.63 -4.67 0.00 3.02 -1.25 -4.59 115.26 103.94 1jof n ASN 88 Ca 0.25 -0.29 -0.42 0.00 -0.03 0.00 0.00 54.58 54.08 1jof n ASN 88 Cb 1.00 0.56 -0.00 0.00 -0.61 0.00 0.00 39.78 40.73 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 -1.75 2.37 0.00 6.41 8.00 0.01 -4.81 116.55 126.78 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 -1.45 0.40 0.00 -0.02 0.00 0.00 41.12 40.44 1jof n ASP 89 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jof n ALA 90 N 0.15 1.86 -0.37 2.24 0.00 -1.26 -2.47 120.51 120.65 1jof n ALA 90 Ca 0.06 -0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.54 1jof n ALA 90 Cb 0.36 -1.28 0.31 0.00 0.00 0.00 0.00 19.45 18.85 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 -1.41 3.93 -4.60 0.00 5.68 -1.26 -4.94 116.55 113.95 1jof n ASP 91 Ca 0.06 -2.03 -0.26 0.00 -0.50 0.00 0.00 54.79 52.07 1jof n ASP 91 Cb 0.17 -0.48 -0.08 0.00 -1.14 0.00 0.00 41.12 39.59 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 -1.05 3.32 -2.15 2.12 -4.23 -1.03 -5.02 115.64 107.60 1jof s THR 92 Ca 0.47 -1.71 0.20 0.00 -1.18 0.00 0.00 61.69 59.47 1jof s THR 92 Cb 0.25 -2.69 0.50 0.00 1.34 0.00 0.00 72.50 71.90 1jof s THR 92 CO 0.31 -0.19 1.64 -0.46 -0.54 0.00 0.00 174.62 175.38 1jof n ASN 93 N -0.26 0.86 -4.62 3.99 0.23 -1.26 -4.92 115.26 109.28 1jof n ASN 93 Ca -0.09 -1.56 -0.47 0.00 -0.53 0.00 0.00 54.58 51.93 1jof n ASN 93 Cb 0.56 -0.05 -0.04 0.00 -2.08 0.00 0.00 39.78 38.18 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 -0.22 0.90 -3.91 5.53 -1.04 -1.26 -4.70 114.28 109.58 1jof n THR 94 Ca 0.15 -0.22 -0.11 0.00 -2.04 0.00 0.00 64.05 61.83 1jof n THR 94 Cb 0.20 -1.10 -0.13 0.00 -1.82 0.00 0.00 70.33 67.48 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 -0.37 0.11 -0.17 -2.82 3.52 -0.86 -4.80 118.95 113.56 1jof s ARG 95 Ca 0.71 -0.19 -0.29 0.00 -0.13 0.00 0.00 55.73 55.83 1jof s ARG 95 Cb -0.77 0.02 -0.02 0.00 -1.56 0.00 0.00 34.95 32.61 1jof s ARG 95 CO 0.51 -0.01 1.38 0.00 -0.81 0.00 0.00 175.30 176.37 1jof s ALA 96 N -0.44 3.57 -0.07 6.12 0.00 -1.26 0.21 121.76 129.89 1jof s ALA 96 Ca -0.05 0.50 0.04 0.00 0.00 0.00 0.00 51.96 52.46 1jof s ALA 96 Cb -0.03 -3.69 -0.07 0.00 0.00 0.00 0.00 23.12 19.33 1jof s ALA 96 CO -0.00 -1.39 -0.01 1.51 0.00 0.00 0.00 175.76 175.87 1jof n ILE 97 N 5.63 0.43 -3.93 0.00 0.13 -0.71 -4.33 119.36 116.58 1jof n ILE 97 Ca 0.15 -0.24 -0.10 0.00 -1.10 0.00 0.00 62.75 61.47 1jof n ILE 97 Cb 0.45 -0.82 -0.10 0.00 -0.84 0.00 0.00 39.64 38.33 1jof n ILE 97 CO 0.00 0.00 0.00 0.12 2.80 0.00 0.00 176.55 179.47 1jof s PHE 98 N -2.15 0.19 -0.02 9.51 5.36 -1.11 -4.69 117.98 125.07 1jof s PHE 98 Ca -0.05 -0.46 -0.04 0.00 -0.96 0.00 0.00 56.93 55.42 1jof s PHE 98 Cb 0.02 -0.14 0.00 0.00 -0.34 0.00 0.00 43.02 42.56 1jof s PHE 98 CO 0.23 -0.32 0.09 -1.17 -1.46 0.00 0.00 175.22 172.59 1jof s LEU 99 N -1.90 1.68 -0.04 6.12 2.96 -1.26 -0.92 118.68 125.33 1jof s LEU 99 Ca -0.08 0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 53.84 1jof s LEU 99 Cb -0.04 0.39 0.03 0.00 0.50 0.00 0.00 46.19 47.07 1jof s LEU 99 CO -0.03 -0.14 0.06 -0.22 -1.32 0.00 0.00 176.35 174.70 1jof s LEU 100 N -0.45 0.53 -0.31 -0.68 2.96 0.13 -4.90 118.68 115.97 1jof s LEU 100 Ca -0.05 0.09 -0.09 0.00 -0.22 0.00 0.00 54.13 53.85 1jof s LEU 100 Cb -0.03 -0.06 -0.01 0.00 0.50 0.00 0.00 46.19 46.58 1jof s LEU 100 CO 0.00 -0.20 0.14 0.00 -1.32 0.00 0.00 176.35 174.98 1jof s ALA 101 N 1.69 3.26 0.51 5.97 0.00 -1.26 -0.68 121.76 131.25 1jof s ALA 101 Ca -0.01 -1.37 -0.22 0.00 0.00 0.00 0.00 51.96 50.35 1jof s ALA 101 Cb -0.12 -2.35 -0.07 0.00 0.00 0.00 0.00 23.12 20.58 1jof s ALA 101 CO -0.03 -0.87 1.26 0.00 0.00 0.00 0.00 175.76 176.12 1jof n ALA 102 N 4.97 1.22 0.83 0.00 0.00 -0.56 -4.81 120.51 122.16 1jof n ALA 102 Ca -0.14 0.15 0.09 0.00 0.00 0.00 0.00 53.44 53.55 1jof n ALA 102 Cb 0.49 -2.28 0.03 0.00 0.00 0.00 0.00 19.45 17.69 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 -0.66 1.60 -4.38 0.00 5.02 -1.26 -4.45 118.16 114.03 1jof n LYS 103 Ca 0.10 -1.20 -0.27 0.00 -2.02 0.00 0.00 58.31 54.92 1jof n LYS 103 Cb 0.43 -1.37 -0.11 0.00 -0.02 0.00 0.00 35.03 33.97 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 -1.95 1.71 0.42 1.97 -1.52 -1.26 -4.92 119.66 114.11 1jof s GLN 104 Ca 0.18 -1.46 -0.23 0.00 -1.95 0.00 0.00 55.36 51.91 1jof s GLN 104 Cb 0.16 -1.94 -0.12 0.00 -0.22 0.00 0.00 33.01 30.88 1jof s GLN 104 CO 0.39 0.41 0.69 -2.30 -0.25 0.00 0.00 175.29 174.23 1jof n PRO 105 N 0.13 0.79 -0.27 2.91 -0.02 -1.26 -0.99 135.00 136.29 1jof n PRO 105 Ca -0.11 0.29 0.02 0.00 -2.02 0.00 0.00 63.50 61.68 1jof n PRO 105 Cb 0.56 -1.67 0.13 0.00 -0.02 0.00 0.00 33.50 32.50 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 0.42 2.18 -3.01 0.52 -0.04 -1.26 -4.93 135.00 128.89 1jof n PRO 106 Ca 0.11 -1.01 -0.22 0.00 -0.04 0.00 0.00 63.50 62.34 1jof n PRO 106 Cb 0.39 -1.68 0.03 0.00 -0.04 0.00 0.00 33.50 32.20 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 0.20 -1.90 -1.18 0.54 4.02 -0.16 -4.64 117.16 114.05 1jof n TYR 107 Ca 0.09 0.48 -0.30 0.00 -0.01 0.00 0.00 57.90 58.16 1jof n TYR 107 Cb 0.52 -4.32 0.14 0.00 -0.02 0.00 0.00 39.34 35.66 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 -3.15 1.46 -0.09 -0.72 0.00 -1.26 -4.58 121.76 113.42 1jof s ALA 108 Ca 0.29 -0.08 0.04 0.00 0.00 0.00 0.00 51.96 52.21 1jof s ALA 108 Cb -0.13 -3.19 -0.01 0.00 0.00 0.00 0.00 23.12 19.79 1jof s ALA 108 CO 0.36 -2.43 -0.20 0.08 0.00 0.00 0.00 175.76 173.57 1jof s VAL 109 N -2.92 2.44 -0.18 0.00 1.01 -0.08 -1.50 120.40 119.17 1jof s VAL 109 Ca 0.64 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.68 1jof s VAL 109 Cb -0.18 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.23 1jof s VAL 109 CO 0.57 0.56 -0.06 -0.31 0.00 0.00 0.00 175.10 175.86 1jof s TYR 110 N 0.04 2.93 0.10 5.22 1.51 0.14 -0.36 117.35 126.93 1jof s TYR 110 Ca -0.08 -0.73 0.08 0.00 -1.01 0.00 0.00 57.07 55.32 1jof s TYR 110 Cb -0.15 -2.01 -0.03 0.00 -0.11 0.00 0.00 41.96 39.65 1jof s TYR 110 CO 0.05 -0.36 -0.20 0.00 -1.11 0.00 0.00 175.55 173.94 1jof s ALA 111 N 0.97 1.69 -0.17 3.71 0.00 0.12 -0.69 121.76 127.39 1jof s ALA 111 Ca -0.00 -1.20 0.01 0.00 0.00 0.00 0.00 51.96 50.76 1jof s ALA 111 Cb -0.15 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 22.78 1jof s ALA 111 CO 0.00 0.33 -0.15 -0.80 0.00 0.00 0.00 175.76 175.13 1jof s ASN 112 N -1.87 2.93 0.79 0.00 0.01 -0.10 -0.76 114.94 115.95 1jof s ASN 112 Ca 0.05 -0.60 -0.12 0.00 -0.71 0.00 0.00 52.86 51.48 1jof s ASN 112 Cb -0.10 -1.28 0.07 0.00 0.41 0.00 0.00 41.25 40.34 1jof s ASN 112 CO 0.04 -0.05 1.14 -2.16 -1.51 0.00 0.00 177.10 174.56 1jof s PRO 113 N 1.41 2.15 0.19 -0.60 0.04 -1.26 -1.74 135.00 135.19 1jof s PRO 113 Ca 0.04 0.28 -0.03 0.00 0.04 0.00 0.00 61.00 61.33 1jof s PRO 113 Cb -0.13 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 1jof s PRO 113 CO -0.11 -1.50 0.17 0.12 0.04 0.00 0.00 177.00 175.72 1jof s PHE 114 N -3.44 0.96 0.00 0.56 5.36 0.13 -4.42 117.98 117.12 1jof s PHE 114 Ca 0.61 -1.23 0.00 0.00 -0.96 0.00 0.00 56.93 55.35 1jof s PHE 114 Cb -0.12 -0.42 0.00 0.00 -0.34 0.00 0.00 43.02 42.14 1jof s PHE 114 CO 0.51 -0.67 0.00 0.66 -1.46 0.00 0.00 175.22 174.26 1jof n TYR 115 N -0.25 0.00 -1.57 10.12 4.02 -1.26 -2.03 117.16 126.18 1jof n TYR 115 Ca -0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.57 1jof n TYR 115 Cb 0.65 0.01 0.05 0.00 -0.02 0.00 0.00 39.34 40.03 1jof n TYR 115 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1jof s LYS 116 N 0.00 2.82 -1.51 -0.72 1.02 -1.26 -3.86 119.74 116.23 1jof s LYS 116 Ca 0.00 1.06 -0.08 0.00 0.02 0.00 0.00 55.97 56.97 1jof s LYS 116 Cb 0.00 -1.97 0.06 0.00 -0.52 0.00 0.00 37.83 35.40 1jof s LYS 116 CO 0.00 -1.20 0.64 1.19 -0.92 0.00 0.00 175.35 175.06 1jof n PHE 117 N -3.03 -1.80 -1.33 3.18 3.01 -1.26 -4.26 117.46 111.96 1jof n PHE 117 Ca 0.08 0.80 0.08 0.00 1.01 0.00 0.00 57.45 59.42 1jof n PHE 117 Cb 0.53 -3.60 0.17 0.00 -0.01 0.00 0.00 39.48 36.57 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 -4.43 2.90 0.59 4.37 0.00 -1.25 -4.48 120.51 118.21 1jof n ALA 118 Ca -0.14 -2.92 0.00 0.00 0.00 0.00 0.00 53.44 50.38 1jof n ALA 118 Cb 0.60 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.68 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 -1.26 0.92 3.10 0.00 0.00 -1.26 -4.60 105.19 102.08 1jof n GLY 119 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.89 0.44 0.20 1.61 1.51 -1.26 -1.36 117.35 117.60 1jof s TYR 120 Ca 0.00 -0.94 0.05 0.00 -1.01 0.00 0.00 57.07 55.17 1jof s TYR 120 Cb 0.00 -0.32 -0.04 0.00 -0.11 0.00 0.00 41.96 41.49 1jof s TYR 120 CO 0.00 -0.39 0.19 0.20 -1.11 0.00 0.00 175.55 174.45 1jof s GLY 121 N -2.77 1.58 -0.14 0.71 0.00 0.49 -4.35 107.32 102.84 1jof s GLY 121 Ca 0.05 -1.26 0.01 0.00 0.00 0.00 0.00 44.72 43.52 1jof s GLY 121 CO -0.09 -1.27 -0.17 -1.31 0.00 0.00 0.00 173.10 170.25 1jof s ASN 122 N -3.42 2.76 -0.17 1.64 0.02 0.06 -2.65 114.94 113.19 1jof s ASN 122 Ca 0.32 -0.52 -0.04 0.00 -1.02 0.00 0.00 52.86 51.61 1jof s ASN 122 Cb -0.09 -1.25 -0.02 0.00 0.02 0.00 0.00 41.25 39.90 1jof s ASN 122 CO 0.25 0.00 -0.04 -0.69 0.02 0.00 0.00 177.10 176.64 1jof s VAL 123 N 1.17 3.80 -0.05 1.60 1.01 -0.29 0.12 120.40 127.75 1jof s VAL 123 Ca -0.01 -0.38 0.06 0.00 0.00 0.00 0.00 61.98 61.65 1jof s VAL 123 Cb -0.14 -2.68 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 1jof s VAL 123 CO -0.07 0.48 -0.24 -0.36 0.00 0.00 0.00 175.10 174.91 1jof s PHE 124 N 0.59 2.45 0.57 5.22 0.40 0.51 -0.83 117.98 126.89 1jof s PHE 124 Ca -0.03 -0.58 -0.05 0.00 -0.60 0.00 0.00 56.93 55.67 1jof s PHE 124 Cb -0.14 -1.58 0.01 0.00 0.51 0.00 0.00 43.02 41.81 1jof s PHE 124 CO 0.03 -0.12 0.87 -1.54 0.70 0.00 0.00 175.22 175.15 1jof s SER 125 N -0.33 5.63 0.20 1.36 1.04 -0.15 -0.90 113.70 120.55 1jof s SER 125 Ca 0.01 0.65 0.10 0.00 0.48 0.00 0.00 55.95 57.19 1jof s SER 125 Cb -0.12 -1.68 -0.04 0.00 0.10 0.00 0.00 66.02 64.27 1jof s SER 125 CO 0.02 -1.01 -0.19 0.68 0.98 0.00 0.00 173.24 173.72 1jof s VAL 126 N -2.92 2.09 1.00 5.02 -7.23 -1.26 -0.46 120.40 116.63 1jof s VAL 126 Ca 0.53 -2.10 -0.16 0.00 -1.81 0.00 0.00 61.98 58.44 1jof s VAL 126 Cb -0.10 -2.04 0.20 0.00 0.56 0.00 0.00 36.38 35.00 1jof s VAL 126 CO 0.44 -0.33 1.25 -0.94 -0.31 0.00 0.00 175.10 175.21 1jof s SER 127 N -2.96 2.76 0.67 4.85 1.04 0.22 -4.78 113.70 115.50 1jof s SER 127 Ca 0.21 0.46 0.44 0.00 0.48 0.00 0.00 55.95 57.54 1jof s SER 127 Cb -0.05 -0.63 2.41 0.00 0.10 0.00 0.00 66.02 67.84 1jof s SER 127 CO 0.09 -2.97 2.37 1.05 0.98 0.00 0.00 173.24 174.76 1jof h GLU 128 N -1.80 0.00 -0.01 4.02 9.09 -2.01 0.30 114.58 124.17 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 1.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.36 1jof h GLU 128 CO 0.42 0.00 -0.36 0.25 0.05 0.00 0.00 179.01 179.36 1jof n THR 129 N -3.11 0.00 -0.32 -1.06 -2.24 -1.26 -4.96 114.28 101.33 1jof n THR 129 Ca -0.03 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1jof n THR 129 Cb 0.08 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 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 1.38 0.83 3.78 3.38 0.00 0.09 -4.88 105.19 109.78 1jof n GLY 130 Ca 0.11 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.67 4.59 -0.23 1.61 2.20 -1.26 -4.70 119.74 121.28 1jof s LYS 131 Ca 0.00 1.26 -0.29 0.00 -0.36 0.00 0.00 55.97 56.58 1jof s LYS 131 Cb 0.00 -3.00 -0.06 0.00 -1.51 0.00 0.00 37.83 33.26 1jof s LYS 131 CO 0.00 0.40 2.22 1.28 -0.36 0.00 0.00 175.35 178.89 1jof n LEU 132 N 0.98 3.12 -0.01 5.43 4.77 -1.26 -0.61 117.00 129.41 1jof n LEU 132 Ca -0.01 0.24 -0.01 0.00 -0.03 0.00 0.00 56.01 56.20 1jof n LEU 132 Cb 0.49 -1.52 -0.00 0.00 -2.33 0.00 0.00 43.42 40.06 1jof n LEU 132 CO 0.46 -0.69 -0.05 -0.08 -1.33 0.00 0.00 177.39 175.70 1jof h GLU 133 N 14.68 0.00 -3.16 3.23 4.57 -1.07 -3.47 114.58 129.36 1jof h GLU 133 Ca -0.39 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 57.63 1jof h GLU 133 Cb 1.25 0.00 -0.24 0.00 -0.16 0.00 0.00 28.75 29.60 1jof h GLU 133 CO 0.97 0.00 -0.41 0.21 -1.18 0.00 0.00 179.01 178.60 1jof s LYS 134 N -1.21 0.38 -0.61 1.92 2.20 -1.20 -4.96 119.74 116.25 1jof s LYS 134 Ca -0.02 0.17 -0.27 0.00 -0.36 0.00 0.00 55.97 55.49 1jof s LYS 134 Cb 0.00 0.17 0.00 0.00 -1.51 0.00 0.00 37.83 36.50 1jof s LYS 134 CO 0.03 -0.07 1.56 1.21 -0.36 0.00 0.00 175.35 177.72 1jof s ASN 135 N -0.29 5.83 0.14 1.43 3.84 -1.26 -0.98 114.94 123.65 1jof s ASN 135 Ca -0.04 0.19 0.25 0.00 0.21 0.00 0.00 52.86 53.47 1jof s ASN 135 Cb -0.03 -2.54 0.44 0.00 -0.55 0.00 0.00 41.25 38.57 1jof s ASN 135 CO 0.01 -1.97 1.42 -0.37 -2.79 0.00 0.00 177.10 173.40 1jof h VAL 136 N 6.50 0.00 -1.83 -5.21 -1.51 -1.33 -3.48 116.25 109.39 1jof h VAL 136 Ca -0.27 -0.50 0.00 0.00 -1.23 0.00 0.00 66.70 64.70 1jof h VAL 136 Cb 1.11 1.17 -0.22 0.00 -2.13 0.00 0.00 31.29 31.22 1jof h VAL 136 CO 1.21 0.00 0.29 -1.58 -1.23 0.00 0.00 177.57 176.26 1jof s GLN 137 N -3.16 0.76 -0.45 5.19 0.74 -1.18 -5.02 119.66 116.54 1jof s GLN 137 Ca 0.07 0.62 0.03 0.00 0.05 0.00 0.00 55.36 56.13 1jof s GLN 137 Cb 0.13 0.36 0.12 0.00 1.10 0.00 0.00 33.01 34.73 1jof s GLN 137 CO 0.69 -0.15 0.21 -0.80 -0.55 0.00 0.00 175.29 174.70 1jof s ASN 138 N -0.19 4.20 0.13 6.67 0.01 -1.26 -1.14 114.94 123.36 1jof s ASN 138 Ca -0.02 -2.68 -0.22 0.00 -0.71 0.00 0.00 52.86 49.23 1jof s ASN 138 Cb -0.03 -1.43 -0.07 0.00 0.41 0.00 0.00 41.25 40.12 1jof s ASN 138 CO 0.01 -0.28 0.68 -0.72 -1.51 0.00 0.00 177.10 175.28 1jof s TYR 139 N 0.20 3.85 0.17 2.20 -0.85 -1.08 -4.82 117.35 117.01 1jof s TYR 139 Ca 0.16 1.45 -0.05 0.00 -0.52 0.00 0.00 57.07 58.11 1jof s TYR 139 Cb -0.24 -2.63 -0.06 0.00 0.38 0.00 0.00 41.96 39.41 1jof s TYR 139 CO -0.03 0.54 0.41 -1.83 -1.52 0.00 0.00 175.55 173.12 1jof s GLU 140 N -1.19 3.64 0.00 -3.49 -1.05 -1.26 -0.38 118.70 114.96 1jof s GLU 140 Ca 0.33 -0.05 0.00 0.00 -0.15 0.00 0.00 54.97 55.10 1jof s GLU 140 Cb -0.21 -2.81 0.00 0.00 -0.44 0.00 0.00 34.13 30.67 1jof s GLU 140 CO 0.23 0.43 0.00 0.66 0.95 0.00 0.00 175.26 177.52 1jof n TYR 141 N -0.07 0.00 -3.74 4.83 4.02 -0.46 -4.94 117.16 116.80 1jof n TYR 141 Ca -0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.74 1jof n TYR 141 Cb 0.52 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.76 1jof n TYR 141 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 1jof s GLN 142 N 1.04 0.77 0.44 -0.72 -2.07 -1.25 -5.03 119.66 112.84 1jof s GLN 142 Ca 0.00 -0.33 0.31 0.00 -1.82 0.00 0.00 55.36 53.52 1jof s GLN 142 Cb 0.00 0.34 1.44 0.00 -1.09 0.00 0.00 33.01 33.70 1jof s GLN 142 CO 0.00 -0.24 1.61 1.05 -1.32 0.00 0.00 175.29 176.40 1jof h GLU 143 N 3.47 0.07 0.00 9.60 4.11 -1.97 0.14 114.58 129.99 1jof h GLU 143 Ca -0.31 -0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.01 1jof h GLU 143 Cb 1.19 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 1jof h GLU 143 CO 0.43 0.05 -0.53 -0.97 0.07 0.00 0.00 179.01 178.05 1jof h ASN 144 N 0.07 0.00 -2.86 3.06 -1.24 -1.96 -3.40 115.58 109.25 1jof h ASN 144 Ca 0.83 0.00 -0.59 0.00 0.71 0.00 0.00 56.30 57.26 1jof h ASN 144 Cb 2.64 0.00 0.16 0.00 0.73 0.00 0.00 38.32 41.85 1jof h ASN 144 CO -0.42 0.53 -0.26 0.41 -1.29 0.00 0.00 177.43 176.41 1jof n THR 145 N -3.82 2.28 -2.92 -3.57 -1.04 0.49 -4.20 114.28 101.50 1jof n THR 145 Ca -0.01 -0.50 -0.12 0.00 -2.04 0.00 0.00 64.05 61.38 1jof n THR 145 Cb 0.56 -0.76 -0.01 0.00 -1.82 0.00 0.00 70.33 68.30 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 1.64 0.61 3.74 3.41 0.00 -1.26 -4.35 105.19 108.97 1jof n GLY 146 Ca 0.11 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 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 0.35 3.22 0.00 -0.61 -1.09 -1.26 -1.37 121.20 120.44 1jof s ILE 147 Ca 0.32 1.00 0.00 0.00 -2.23 0.00 0.00 60.65 59.74 1jof s ILE 147 Cb 0.12 -3.64 0.00 0.00 -1.58 0.00 0.00 42.46 37.36 1jof s ILE 147 CO -0.15 0.15 0.46 1.57 -1.23 0.00 0.00 174.94 175.73 1jof n HIS 148 N 2.65 0.00 -3.69 3.97 -0.00 -0.67 -4.76 115.22 112.72 1jof n HIS 148 Ca 0.06 -0.02 0.02 0.00 0.46 0.00 0.00 57.72 58.24 1jof n HIS 148 Cb 0.43 -0.00 -0.00 0.00 -0.12 0.00 0.00 29.99 30.30 1jof n HIS 148 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 1jof s GLY 149 N -0.03 -0.36 0.00 1.57 0.00 -1.18 -4.75 107.32 102.57 1jof s GLY 149 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 44.72 45.29 1jof s GLY 149 CO 0.00 1.27 0.00 1.55 0.00 0.00 0.00 173.10 175.92 1jof n VAL 151 N -0.58 0.00 -3.02 1.40 3.14 -0.67 -0.71 118.33 117.89 1jof n VAL 151 Ca -0.06 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 61.07 1jof n VAL 151 Cb 0.62 0.00 -0.00 0.00 -1.06 0.00 0.00 33.84 33.40 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 -1.30 3.45 0.74 1.45 0.40 -1.26 -1.39 117.98 120.06 1jof s PHE 152 Ca 0.00 0.48 -0.12 0.00 -0.60 0.00 0.00 56.93 56.69 1jof s PHE 152 Cb 0.00 -2.15 0.04 0.00 0.51 0.00 0.00 43.02 41.42 1jof s PHE 152 CO 0.00 -0.15 1.12 0.16 0.70 0.00 0.00 175.22 177.05 1jof s ASP 153 N -4.11 5.09 0.55 1.36 1.47 -0.79 -4.89 116.67 115.35 1jof s ASP 153 Ca 0.45 1.06 0.31 0.00 1.18 0.00 0.00 52.55 55.55 1jof s ASP 153 Cb -0.10 -1.78 1.47 0.00 -0.34 0.00 0.00 42.92 42.17 1jof s ASP 153 CO 0.40 -1.56 1.87 -0.65 0.68 0.00 0.00 175.17 175.91 1jof h PRO 154 N -0.81 0.00 0.00 2.11 0.11 -1.86 -0.69 132.00 130.86 1jof h PRO 154 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1jof h PRO 154 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1jof h PRO 154 CO 0.64 0.00 -0.31 1.15 -0.21 0.00 0.00 178.00 179.27 1jof h THR 155 N 0.00 0.00 -4.65 -1.15 2.02 -1.95 -3.48 112.91 103.71 1jof h THR 155 Ca 0.38 -0.81 -0.27 0.00 0.77 0.00 0.00 66.41 66.48 1jof h THR 155 Cb 1.64 1.64 0.11 0.00 -1.74 0.00 0.00 68.15 69.80 1jof h THR 155 CO -0.00 0.00 -0.53 -0.62 0.37 0.00 0.00 175.52 174.73 1jof n GLU 156 N -2.67 -5.49 -0.01 6.66 1.02 -0.27 -4.92 120.64 114.96 1jof n GLU 156 Ca 0.03 0.62 0.02 0.00 -0.02 0.00 0.00 57.16 57.82 1jof n GLU 156 Cb 0.50 -5.01 -0.06 0.00 -0.02 0.00 0.00 31.44 26.85 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 -3.91 0.12 -4.46 2.62 -1.04 -1.26 -4.78 114.28 101.58 1jof n THR 157 Ca -0.09 -0.22 -0.22 0.00 -2.04 0.00 0.00 64.05 61.49 1jof n THR 157 Cb 0.58 0.05 -0.16 0.00 -1.82 0.00 0.00 70.33 68.99 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 -2.48 1.09 -0.17 -1.42 1.51 -1.26 -0.46 117.35 114.17 1jof s TYR 158 Ca -0.03 -0.30 -0.01 0.00 -1.01 0.00 0.00 57.07 55.72 1jof s TYR 158 Cb 0.05 -0.78 -0.01 0.00 -0.11 0.00 0.00 41.96 41.11 1jof s TYR 158 CO 0.33 -0.13 -0.12 -1.17 -1.11 0.00 0.00 175.55 173.35 1jof s LEU 159 N 0.26 2.64 -0.13 -1.29 2.96 0.39 -1.89 118.68 121.63 1jof s LEU 159 Ca -0.05 -0.42 -0.04 0.00 -0.22 0.00 0.00 54.13 53.41 1jof s LEU 159 Cb -0.10 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 1jof s LEU 159 CO 0.01 0.08 -0.00 -0.31 -1.32 0.00 0.00 176.35 174.80 1jof s TYR 160 N 0.88 3.12 -0.05 5.38 1.51 -0.49 -0.47 117.35 127.22 1jof s TYR 160 Ca -0.03 -0.01 0.05 0.00 -1.01 0.00 0.00 57.07 56.07 1jof s TYR 160 Cb -0.15 -1.90 -0.01 0.00 -0.11 0.00 0.00 41.96 39.79 1jof s TYR 160 CO -0.00 0.22 -0.21 -1.12 -1.11 0.00 0.00 175.55 173.33 1jof s SER 161 N -0.19 2.63 -0.45 2.29 0.01 -0.69 -1.67 113.70 115.63 1jof s SER 161 Ca 0.05 -0.44 -0.20 0.00 1.31 0.00 0.00 55.95 56.67 1jof s SER 161 Cb -0.13 -0.75 0.03 0.00 0.21 0.00 0.00 66.02 65.38 1jof s SER 161 CO 0.02 0.20 0.61 0.00 0.41 0.00 0.00 173.24 174.48 1jof s ALA 162 N -0.04 3.36 -0.62 1.44 0.00 0.11 -1.50 121.76 124.51 1jof s ALA 162 Ca -0.04 -1.34 -0.19 0.00 0.00 0.00 0.00 51.96 50.39 1jof s ALA 162 Cb -0.13 -3.27 0.11 0.00 0.00 0.00 0.00 23.12 19.83 1jof s ALA 162 CO 0.03 -1.80 0.75 0.34 0.00 0.00 0.00 175.76 175.08 1jof s ASP 163 N 2.07 6.23 0.02 0.00 -1.08 0.04 -1.68 116.67 122.28 1jof s ASP 163 Ca 0.20 -1.49 -0.25 0.00 -0.52 0.00 0.00 52.55 50.48 1jof s ASP 163 Cb -0.15 -2.31 -0.17 0.00 -1.46 0.00 0.00 42.92 38.82 1jof s ASP 163 CO 0.17 -1.11 1.36 0.25 0.52 0.00 0.00 175.17 176.36 1jof h LEU 164 N 9.99 -0.24 -0.24 -1.34 6.46 -0.08 -0.95 115.31 128.91 1jof h LEU 164 Ca -0.25 -0.20 -0.07 0.00 -0.12 0.00 0.00 57.88 57.24 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 1.09 0.08 -0.35 0.71 -0.62 0.00 0.00 178.44 179.35 1jof h THR 165 N -0.57 0.63 -0.01 1.05 1.35 -1.85 -3.02 112.91 110.48 1jof h THR 165 Ca -0.03 -1.75 0.00 0.00 -0.55 0.00 0.00 66.41 64.08 1jof h THR 165 Cb 0.42 2.20 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 1jof h THR 165 CO 0.05 0.34 -0.27 0.00 -0.25 0.00 0.00 175.52 175.39 1jof n ALA 166 N -2.20 3.11 -3.56 6.62 0.00 -1.24 -4.92 120.51 118.31 1jof n ALA 166 Ca 0.02 -0.47 -0.22 0.00 0.00 0.00 0.00 53.44 52.78 1jof n ALA 166 Cb 0.63 -1.06 0.05 0.00 0.00 0.00 0.00 19.45 19.07 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 -0.38 -3.68 -3.82 0.00 5.15 -0.45 -4.94 115.26 107.14 1jof n ASN 167 Ca 0.12 -0.82 -0.09 0.00 -0.60 0.00 0.00 54.58 53.19 1jof n ASN 167 Cb 0.38 -4.28 -0.03 0.00 -0.53 0.00 0.00 39.78 35.32 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 -5.52 1.71 -0.12 1.20 -2.85 -0.68 -1.37 119.74 112.11 1jof s LYS 168 Ca 0.24 -1.20 0.02 0.00 -1.00 0.00 0.00 55.97 54.03 1jof s LYS 168 Cb -0.06 0.53 -0.00 0.00 -2.06 0.00 0.00 37.83 36.24 1jof s LYS 168 CO 0.80 -0.75 -0.20 -0.51 0.10 0.00 0.00 175.35 174.79 1jof s LEU 169 N -3.00 2.28 0.12 2.77 1.43 0.44 -0.78 118.68 121.95 1jof s LEU 169 Ca 0.18 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.81 1jof s LEU 169 Cb -0.03 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 1jof s LEU 169 CO 0.09 0.14 0.16 0.26 0.23 0.00 0.00 176.35 177.23 1jof s TRP 170 N 0.48 3.29 -0.09 0.29 0.52 -0.56 -0.88 118.94 121.99 1jof s TRP 170 Ca -0.14 0.08 0.02 0.00 0.02 0.00 0.00 56.10 56.08 1jof s TRP 170 Cb -0.17 -1.62 0.01 0.00 -1.15 0.00 0.00 33.47 30.55 1jof s TRP 170 CO 0.05 0.53 -0.13 0.99 0.02 0.00 0.00 176.95 178.41 1jof s THR 171 N -1.61 1.30 0.12 2.01 2.01 0.85 -1.70 115.64 118.62 1jof s THR 171 Ca 0.32 -0.54 0.08 0.00 0.31 0.00 0.00 61.69 61.86 1jof s THR 171 Cb -0.11 -1.20 -0.04 0.00 0.01 0.00 0.00 72.50 71.16 1jof s THR 171 CO 0.25 0.40 -0.19 -1.00 -0.69 0.00 0.00 174.62 173.38 1jof s HIS 172 N 0.93 1.75 -0.17 4.92 3.76 0.38 -0.76 115.29 126.10 1jof s HIS 172 Ca -0.09 -0.44 -0.08 0.00 -0.15 0.00 0.00 55.06 54.30 1jof s HIS 172 Cb -0.15 -0.93 -0.04 0.00 1.11 0.00 0.00 32.58 32.57 1jof s HIS 172 CO 0.00 0.24 0.11 -0.98 -0.85 0.00 0.00 174.74 173.26 1jof s ARG 173 N -2.23 3.88 -0.26 1.40 3.03 0.98 -0.46 118.95 125.28 1jof s ARG 173 Ca 0.09 -0.23 -0.14 0.00 2.03 0.00 0.00 55.73 57.48 1jof s ARG 173 Cb -0.08 -3.28 -0.04 0.00 -1.03 0.00 0.00 34.95 30.51 1jof s ARG 173 CO 0.05 0.45 0.33 0.21 -1.13 0.00 0.00 175.30 175.21 1jof s LYS 174 N -0.10 4.02 0.75 3.89 2.20 0.40 -0.84 119.74 130.06 1jof s LYS 174 Ca 0.09 -0.02 -0.12 0.00 -0.36 0.00 0.00 55.97 55.56 1jof s LYS 174 Cb -0.12 -3.64 0.05 0.00 -1.51 0.00 0.00 37.83 32.61 1jof s LYS 174 CO 0.00 -0.23 1.13 -0.51 -0.36 0.00 0.00 175.35 175.39 1jof s LEU 175 N 1.91 2.72 0.45 5.43 1.43 0.20 -4.81 118.68 126.01 1jof s LEU 175 Ca 0.14 0.96 0.13 0.00 -1.03 0.00 0.00 54.13 54.32 1jof s LEU 175 Cb -0.16 -3.61 1.06 0.00 0.03 0.00 0.00 46.19 43.51 1jof s LEU 175 CO 0.10 -1.60 2.05 0.00 0.23 0.00 0.00 176.35 177.13 1jof h ALA 176 N -0.84 1.94 0.00 4.21 0.00 -1.98 -0.49 119.26 122.10 1jof h ALA 176 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1jof h ALA 176 Cb 1.29 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1jof h ALA 176 CO 0.65 0.01 0.00 0.66 0.00 0.00 0.00 179.25 180.56 1jof h SER 177 N 0.33 0.00 0.00 0.00 4.64 -1.98 -3.42 113.55 113.12 1jof h SER 177 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1jof h SER 177 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1jof h SER 177 CO -0.03 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.54 1jof n GLY 178 N -0.50 2.36 3.83 -0.77 0.00 -0.19 -4.85 105.19 105.07 1jof n GLY 178 Ca -0.01 0.00 -0.31 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 -0.65 3.08 0.47 1.61 2.02 -1.26 -4.69 118.70 119.27 1jof s GLU 179 Ca 0.00 0.90 0.06 0.00 0.02 0.00 0.00 54.97 55.95 1jof s GLU 179 Cb 0.00 -2.01 -0.01 0.00 0.10 0.00 0.00 34.13 32.21 1jof s GLU 179 CO 0.00 -0.98 0.29 0.14 0.02 0.00 0.00 175.26 174.73 1jof s VAL 180 N -3.08 2.03 -0.19 2.63 -7.23 -1.26 0.62 120.40 113.92 1jof s VAL 180 Ca 0.57 -1.57 -0.12 0.00 -1.81 0.00 0.00 61.98 59.05 1jof s VAL 180 Cb -0.13 -2.60 0.06 0.00 0.56 0.00 0.00 36.38 34.26 1jof s VAL 180 CO 0.55 0.00 0.47 -0.70 -0.31 0.00 0.00 175.10 175.11 1jof s GLU 181 N -4.09 0.48 0.33 4.82 2.12 -0.02 -4.88 118.70 117.45 1jof s GLU 181 Ca 0.37 0.83 -0.29 0.00 0.36 0.00 0.00 54.97 56.24 1jof s GLU 181 Cb 0.00 0.06 -0.11 0.00 0.26 0.00 0.00 34.13 34.34 1jof s GLU 181 CO 0.22 -0.14 1.51 -1.17 -0.54 0.00 0.00 175.26 175.13 1jof s LEU 182 N 1.20 4.34 -0.13 2.70 2.96 -1.26 -0.01 118.68 128.48 1jof s LEU 182 Ca -0.08 2.95 -0.06 0.00 -0.22 0.00 0.00 54.13 56.73 1jof s LEU 182 Cb -0.07 -3.65 -0.06 0.00 0.50 0.00 0.00 46.19 42.91 1jof s LEU 182 CO -0.11 -0.85 -0.16 0.52 -1.32 0.00 0.00 176.35 174.43 1jof n VAL 183 N 1.28 0.72 -3.01 1.68 0.31 0.06 -4.78 118.33 114.60 1jof n VAL 183 Ca 0.04 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1jof n VAL 183 Cb 0.39 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 31.71 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 2.25 -1.38 3.47 2.92 0.00 -0.95 -4.99 105.19 106.50 1jof n GLY 184 Ca -0.26 -1.01 -0.09 0.00 0.00 0.00 0.00 46.02 44.66 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 -3.49 -0.15 -0.00 1.61 1.04 -1.26 -0.11 113.70 111.34 1jof s SER 185 Ca 0.00 -0.63 -0.01 0.00 0.48 0.00 0.00 55.95 55.79 1jof s SER 185 Cb 0.00 0.53 -0.00 0.00 0.10 0.00 0.00 66.02 66.65 1jof s SER 185 CO 0.00 -1.01 0.02 -0.69 0.98 0.00 0.00 173.24 172.54 1jof s VAL 186 N -3.91 0.04 0.46 5.02 1.01 -0.06 -4.96 120.40 118.00 1jof s VAL 186 Ca 0.12 -0.30 -0.20 0.00 0.00 0.00 0.00 61.98 61.60 1jof s VAL 186 Cb 0.00 -0.14 -0.10 0.00 0.00 0.00 0.00 36.38 36.15 1jof s VAL 186 CO -0.01 -0.17 0.97 -1.81 0.00 0.00 0.00 175.10 174.09 1jof s ASP 187 N -0.50 6.74 0.76 3.32 1.01 -1.26 -0.42 116.67 126.33 1jof s ASP 187 Ca -0.06 1.71 -0.14 0.00 0.71 0.00 0.00 52.55 54.77 1jof s ASP 187 Cb -0.03 -2.54 0.06 0.00 1.01 0.00 0.00 42.92 41.42 1jof s ASP 187 CO -0.00 -0.50 1.21 0.00 0.21 0.00 0.00 175.17 176.09 1jof s ALA 188 N -2.24 2.00 0.35 5.23 0.00 -0.47 -4.83 121.76 121.80 1jof s ALA 188 Ca 0.62 0.87 0.11 0.00 0.00 0.00 0.00 51.96 53.57 1jof s ALA 188 Cb -0.11 -3.48 0.90 0.00 0.00 0.00 0.00 23.12 20.43 1jof s ALA 188 CO 0.18 -2.06 1.79 -1.35 0.00 0.00 0.00 175.76 174.32 1jof h PRO 189 N -0.56 0.58 -5.47 0.00 0.11 -1.94 -3.42 132.00 121.30 1jof h PRO 189 Ca -0.47 -0.03 -0.48 0.00 0.11 0.00 0.00 66.00 65.12 1jof h PRO 189 Cb 1.30 -0.13 -0.26 0.00 0.11 0.00 0.00 31.00 32.02 1jof h PRO 189 CO 0.48 0.38 -0.81 0.34 -0.21 0.00 0.00 178.00 178.19 1jof s ASP 190 N -5.41 1.83 0.51 -2.05 -1.08 -1.26 -5.02 116.67 104.19 1jof s ASP 190 Ca -0.10 -0.43 0.24 0.00 -0.52 0.00 0.00 52.55 51.74 1jof s ASP 190 Cb 0.25 -0.14 1.34 0.00 -1.46 0.00 0.00 42.92 42.90 1jof s ASP 190 CO 0.80 0.09 1.97 -0.65 0.52 0.00 0.00 175.17 177.90 1jof h PRO 191 N 5.11 0.07 -0.47 4.34 0.11 -1.97 -1.47 132.00 137.72 1jof h PRO 191 Ca -0.38 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1jof h PRO 191 Cb 1.17 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1jof h PRO 191 CO 0.45 0.05 0.00 0.41 -0.21 0.00 0.00 178.00 178.70 1jof n GLY 192 N -1.63 1.16 0.20 -0.55 0.00 -1.26 -4.49 105.19 98.63 1jof n GLY 192 Ca 0.11 -0.47 -0.07 0.00 0.00 0.00 0.00 46.02 45.60 1jof n GLY 192 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jof h ASP 193 N 2.43 -0.37 -4.70 1.61 3.32 -1.60 -2.68 116.42 114.43 1jof h ASP 193 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1jof h ASP 193 Cb 0.67 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.32 1jof h ASP 193 CO 0.04 0.04 -0.58 1.41 -1.72 0.00 0.00 179.24 178.43 1jof n HIS 194 N -4.88 -2.91 -1.68 4.55 8.25 -1.26 -1.40 115.22 115.88 1jof n HIS 194 Ca -0.05 1.24 -0.45 0.00 -0.26 0.00 0.00 57.72 58.19 1jof n HIS 194 Cb 0.17 -3.48 -0.04 0.00 1.12 0.00 0.00 29.99 27.77 1jof n HIS 194 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1jof n PRO 195 N 0.11 2.36 0.00 -0.41 -0.02 -1.26 -0.28 135.00 135.50 1jof n PRO 195 Ca 0.05 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 1jof n PRO 195 Cb 0.17 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.00 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 3.85 2.56 -3.82 -0.52 0.63 -0.10 -1.48 116.66 117.79 1jof n ARG 196 Ca 0.17 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.99 1jof n ARG 196 Cb 0.31 -0.95 -0.09 0.00 0.45 0.00 0.00 32.46 32.19 1jof n ARG 196 CO 0.00 0.00 0.00 -0.46 -2.51 0.00 0.00 177.63 174.66 1jof s TRP 197 N -1.86 -0.02 -0.02 -0.14 -0.11 -1.15 -3.09 118.94 112.56 1jof s TRP 197 Ca 0.00 -0.09 -0.01 0.00 1.22 0.00 0.00 56.10 57.22 1jof s TRP 197 Cb 0.00 0.01 0.01 0.00 -1.50 0.00 0.00 33.47 31.99 1jof s TRP 197 CO 0.00 -0.40 0.03 0.14 -4.62 0.00 0.00 176.95 172.10 1jof s VAL 198 N -2.03 -0.01 0.00 5.86 -7.23 -1.26 -0.15 120.40 115.58 1jof s VAL 198 Ca -0.09 0.05 0.00 0.00 -1.81 0.00 0.00 61.98 60.13 1jof s VAL 198 Cb -0.03 -0.07 0.00 0.00 0.56 0.00 0.00 36.38 36.84 1jof s VAL 198 CO -0.01 0.02 0.00 0.00 -0.31 0.00 0.00 175.10 174.80 1jof n ALA 199 N 3.34 0.00 -2.75 1.32 0.00 -0.20 -4.54 120.51 117.68 1jof n ALA 199 Ca -0.16 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.08 1jof n ALA 199 Cb 0.57 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.87 1jof n ALA 199 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1jof s HIS 201 N 1.03 0.97 0.55 0.00 2.46 -0.67 -1.18 115.29 118.45 1jof s HIS 201 Ca 0.00 -0.20 0.34 0.00 0.47 0.00 0.00 55.06 55.67 1jof s HIS 201 Cb 0.00 -0.64 1.50 0.00 -0.13 0.00 0.00 32.58 33.30 1jof s HIS 201 CO 0.00 -0.04 1.80 -1.35 -2.47 0.00 0.00 174.74 172.68 1jof h PRO 202 N 6.03 0.00 0.00 2.88 0.11 -1.92 0.22 132.00 139.32 1jof h PRO 202 Ca -0.32 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.73 1jof h PRO 202 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1jof h PRO 202 CO 0.49 0.00 -0.26 1.79 -0.21 0.00 0.00 178.00 179.81 1jof h THR 203 N 0.00 0.50 0.00 -1.15 1.35 -1.92 -3.44 112.91 108.25 1jof h THR 203 Ca 0.49 -1.44 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 1jof h THR 203 Cb 2.07 2.04 0.00 0.00 -1.73 0.00 0.00 68.15 70.53 1jof h THR 203 CO -0.01 0.25 0.00 0.61 -0.25 0.00 0.00 175.52 176.13 1jof n GLY 204 N 0.74 0.76 0.06 5.82 0.00 0.78 -4.93 105.19 108.42 1jof n GLY 204 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 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 0.02 -4.22 1.61 2.35 -1.83 -3.43 115.58 110.08 1jof h ASN 205 Ca 0.00 -0.02 -0.33 0.00 -0.55 0.00 0.00 56.30 55.40 1jof h ASN 205 Cb 0.00 -0.01 -0.17 0.00 0.05 0.00 0.00 38.32 38.20 1jof h ASN 205 CO 0.00 1.02 -0.73 -0.31 -1.65 0.00 0.00 177.43 175.76 1jof s TYR 206 N -2.70 1.16 0.01 1.19 1.51 -1.26 -0.84 117.35 116.42 1jof s TYR 206 Ca 0.00 -0.68 0.01 0.00 -1.01 0.00 0.00 57.07 55.39 1jof s TYR 206 Cb 0.10 -0.62 -0.01 0.00 -0.11 0.00 0.00 41.96 41.32 1jof s TYR 206 CO 0.82 0.04 -0.04 -1.17 -1.11 0.00 0.00 175.55 174.09 1jof s LEU 207 N -2.68 2.07 -0.12 -1.29 0.20 -0.31 -1.67 118.68 114.86 1jof s LEU 207 Ca 0.10 -0.17 0.02 0.00 0.69 0.00 0.00 54.13 54.76 1jof s LEU 207 Cb -0.01 -0.15 -0.00 0.00 -0.43 0.00 0.00 46.19 45.59 1jof s LEU 207 CO 0.00 -0.03 -0.20 -0.31 -0.29 0.00 0.00 176.35 175.53 1jof s TYR 208 N -0.40 2.68 -0.21 5.38 1.51 -0.32 -0.77 117.35 125.22 1jof s TYR 208 Ca -0.02 -1.00 -0.03 0.00 -1.01 0.00 0.00 57.07 55.01 1jof s TYR 208 Cb -0.03 -1.79 -0.01 0.00 -0.11 0.00 0.00 41.96 40.02 1jof s TYR 208 CO -0.00 -0.41 -0.06 0.00 -1.11 0.00 0.00 175.55 173.97 1jof s ALA 209 N 0.51 2.79 0.50 3.71 0.00 -0.49 -1.04 121.76 127.74 1jof s ALA 209 Ca -0.13 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 50.70 1jof s ALA 209 Cb -0.17 -1.64 0.00 0.00 0.00 0.00 0.00 23.12 21.32 1jof s ALA 209 CO 0.05 -0.34 0.00 -0.11 0.00 0.00 0.00 175.76 175.36 1jof n LEU 210 N 4.63 0.00 0.08 0.00 0.00 0.79 -1.21 117.00 121.29 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 -0.08 -0.05 1.21 0.00 0.00 0.00 177.39 178.76 1jof n GLU 212 N -0.16 0.00 0.14 1.96 2.13 0.62 -0.92 120.64 124.40 1jof n GLU 212 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1jof n GLU 212 Cb 0.00 -0.27 0.15 0.00 0.27 0.00 0.00 31.44 31.59 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 0.83 0.00 4.31 0.00 -1.41 -1.25 119.26 121.75 1jof h ALA 213 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1jof h ALA 213 Cb 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1jof h ALA 213 CO 0.00 0.75 0.00 0.41 0.00 0.00 0.00 179.25 180.41 1jof n GLY 214 N 0.55 -1.67 3.70 0.00 0.00 -0.63 -4.89 105.19 102.26 1jof n GLY 214 Ca -0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.29 -4.70 -3.51 1.61 3.02 -1.16 -4.92 115.26 103.31 1jof n ASN 215 Ca 0.05 -1.00 -0.09 0.00 -0.03 0.00 0.00 54.58 53.51 1jof n ASN 215 Cb 0.41 -3.43 -0.02 0.00 -0.61 0.00 0.00 39.78 36.13 1jof n ASN 215 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jof s ARG 216 N -5.99 0.99 -0.20 3.52 1.70 -1.26 -1.70 118.95 116.01 1jof s ARG 216 Ca 0.41 -0.39 -0.08 0.00 -0.47 0.00 0.00 55.73 55.21 1jof s ARG 216 Cb -0.14 0.44 -0.04 0.00 -0.57 0.00 0.00 34.95 34.64 1jof s ARG 216 CO 0.86 -0.43 0.07 0.42 -1.08 0.00 0.00 175.30 175.14 1jof s ILE 217 N -3.31 4.72 -0.11 4.99 -1.09 0.12 -4.51 121.20 122.00 1jof s ILE 217 Ca 0.05 -0.05 -0.02 0.00 -2.23 0.00 0.00 60.65 58.40 1jof s ILE 217 Cb -0.01 -3.15 -0.03 0.00 -1.58 0.00 0.00 42.46 37.69 1jof s ILE 217 CO -0.09 0.42 -0.05 0.00 -1.23 0.00 0.00 174.94 173.99 1jof s GLU 219 N -0.22 4.27 -0.03 0.00 2.12 -0.52 -1.39 118.70 122.92 1jof s GLU 219 Ca 0.04 0.68 0.03 0.00 0.36 0.00 0.00 54.97 56.08 1jof s GLU 219 Cb -0.13 -3.33 0.00 0.00 0.26 0.00 0.00 34.13 30.93 1jof s GLU 219 CO 0.02 0.41 -0.12 0.71 -0.54 0.00 0.00 175.26 175.74 1jof s TYR 220 N -0.29 1.28 -0.08 5.30 1.51 0.05 -2.26 117.35 122.85 1jof s TYR 220 Ca 0.30 -0.35 -0.10 0.00 -1.01 0.00 0.00 57.07 55.91 1jof s TYR 220 Cb -0.18 -0.89 -0.05 0.00 -0.11 0.00 0.00 41.96 40.74 1jof s TYR 220 CO 0.16 -0.13 0.24 0.54 -1.11 0.00 0.00 175.55 175.25 1jof s VAL 221 N 0.15 5.34 -0.28 0.71 0.11 0.42 -1.17 120.40 125.69 1jof s VAL 221 Ca -0.04 0.44 -0.22 0.00 -2.93 0.00 0.00 61.98 59.23 1jof s VAL 221 Cb -0.10 -3.52 -0.01 0.00 -1.53 0.00 0.00 36.38 31.22 1jof s VAL 221 CO 0.01 0.59 0.71 -0.63 -3.33 0.00 0.00 175.10 172.45 1jof s ILE 222 N -0.92 4.90 -0.22 7.04 1.01 -0.02 -0.51 121.20 132.48 1jof s ILE 222 Ca 0.18 1.17 -0.29 0.00 0.00 0.00 0.00 60.65 61.71 1jof s ILE 222 Cb -0.14 -4.03 -0.03 0.00 0.01 0.00 0.00 42.46 38.27 1jof s ILE 222 CO 0.07 -0.09 1.63 -0.62 0.00 0.00 0.00 174.94 175.92 1jof s ASP 223 N 1.52 6.36 0.58 3.58 -1.08 -1.26 -4.88 116.67 121.48 1jof s ASP 223 Ca 0.29 1.61 0.32 0.00 -0.52 0.00 0.00 52.55 54.26 1jof s ASP 223 Cb -0.15 -2.53 1.79 0.00 -1.46 0.00 0.00 42.92 40.57 1jof s ASP 223 CO 0.10 -1.28 2.20 1.55 0.52 0.00 0.00 175.17 178.26 1jof h PRO 224 N 10.83 0.00 -0.25 4.34 0.13 -1.95 1.11 132.00 146.21 1jof h PRO 224 Ca -0.34 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.70 1jof h PRO 224 Cb 1.15 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1jof h PRO 224 CO 1.00 0.05 -0.20 0.00 -0.23 0.00 0.00 178.00 178.61 1jof h ALA 225 N 1.95 0.36 0.00 -0.56 0.00 -2.04 -3.36 119.26 115.61 1jof h ALA 225 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1jof h ALA 225 Cb 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1jof h ALA 225 CO 0.01 0.30 -1.02 0.25 0.00 0.00 0.00 179.25 178.79 1jof n THR 226 N -4.39 0.00 -1.73 0.00 -2.24 -1.04 -5.27 114.28 99.61 1jof n THR 226 Ca -0.04 -0.22 -0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1jof n THR 226 Cb 0.41 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 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 -1.57 -0.48 -5.16 4.78 -0.00 0.38 -5.02 115.22 108.15 1jof n HIS 227 Ca -0.00 0.19 -0.30 0.00 -0.00 0.00 0.00 57.72 57.60 1jof n HIS 227 Cb 0.17 -1.90 -0.16 0.00 -0.00 0.00 0.00 29.99 28.10 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 -2.39 2.36 -0.11 -0.41 0.04 -1.26 -4.75 135.00 128.48 1jof s PRO 229 Ca 0.01 -0.83 0.03 0.00 0.04 0.00 0.00 61.00 60.25 1jof s PRO 229 Cb -0.00 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 1jof s PRO 229 CO 0.11 0.35 -0.20 0.08 0.04 0.00 0.00 177.00 177.38 1jof s VAL 230 N -0.11 2.41 0.12 -0.36 1.01 0.33 -4.93 120.40 118.87 1jof s VAL 230 Ca -0.04 -0.90 -0.31 0.00 0.00 0.00 0.00 61.98 60.73 1jof s VAL 230 Cb -0.13 -1.95 -0.08 0.00 0.00 0.00 0.00 36.38 34.22 1jof s VAL 230 CO 0.03 0.55 1.40 -0.47 0.00 0.00 0.00 175.10 176.61 1jof s TYR 231 N 0.29 3.24 -1.27 5.22 5.04 -1.26 -0.43 117.35 128.17 1jof s TYR 231 Ca -0.15 0.94 0.25 0.00 -2.44 0.00 0.00 57.07 55.67 1jof s TYR 231 Cb -0.17 -3.69 0.55 0.00 0.35 0.00 0.00 41.96 38.99 1jof s TYR 231 CO 0.07 -2.43 1.44 0.25 -1.34 0.00 0.00 175.55 173.54 1jof n THR 232 N 3.95 0.00 -0.73 4.34 -2.24 -0.96 -4.91 114.28 113.74 1jof n THR 232 Ca 0.12 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1jof n THR 232 Cb 0.42 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 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 -1.19 0.00 -3.83 4.78 8.25 -1.26 -5.04 115.22 116.93 1jof n HIS 233 Ca 0.08 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.19 1jof n HIS 233 Cb 0.34 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.37 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 -2.03 3.36 0.05 4.41 3.76 -1.26 -5.04 115.29 118.54 1jof s HIS 234 Ca 0.00 0.25 -0.02 0.00 -0.15 0.00 0.00 55.06 55.14 1jof s HIS 234 Cb 0.00 -2.13 -0.03 0.00 1.11 0.00 0.00 32.58 31.53 1jof s HIS 234 CO 0.00 0.26 0.00 -1.54 -0.85 0.00 0.00 174.74 172.61 1jof s SER 235 N 0.32 0.42 -0.00 1.40 1.04 -1.26 -1.44 113.70 114.17 1jof s SER 235 Ca 0.07 -0.91 0.02 0.00 0.48 0.00 0.00 55.95 55.60 1jof s SER 235 Cb -0.11 0.22 -0.00 0.00 0.10 0.00 0.00 66.02 66.22 1jof s SER 235 CO -0.01 -0.60 -0.05 -0.36 0.98 0.00 0.00 173.24 173.20 1jof s PHE 236 N -3.76 0.46 0.35 5.02 0.40 0.05 -4.94 117.98 115.56 1jof s PHE 236 Ca 0.05 -0.09 -0.27 0.00 -0.60 0.00 0.00 56.93 56.02 1jof s PHE 236 Cb 0.06 -0.30 -0.09 0.00 0.51 0.00 0.00 43.02 43.21 1jof s PHE 236 CO -0.10 -0.01 1.17 -1.25 0.70 0.00 0.00 175.22 175.74 1jof s PRO 237 N -0.13 4.27 0.00 0.24 0.04 -1.26 -0.70 135.00 137.45 1jof s PRO 237 Ca 0.02 1.89 0.12 0.00 0.04 0.00 0.00 61.00 63.07 1jof s PRO 237 Cb -0.02 -2.88 0.03 0.00 0.04 0.00 0.00 34.50 31.66 1jof s PRO 237 CO -0.00 -0.14 0.75 1.28 0.04 0.00 0.00 177.00 178.93 1jof n LEU 238 N 0.50 1.54 -4.04 -3.56 4.32 -0.69 -4.85 117.00 110.23 1jof n LEU 238 Ca 0.02 -0.84 -0.10 0.00 -0.02 0.00 0.00 56.01 55.08 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 0.53 0.30 -0.37 0.27 -1.22 0.00 0.00 177.39 176.89 1jof s ILE 239 N -1.36 0.29 0.13 -0.08 -4.36 -1.26 -4.58 121.20 109.99 1jof s ILE 239 Ca 0.11 -1.23 -0.34 0.00 -0.26 0.00 0.00 60.65 58.93 1jof s ILE 239 Cb 0.10 -0.73 -0.14 0.00 1.25 0.00 0.00 42.46 42.94 1jof s ILE 239 CO 0.25 -0.61 1.58 -2.65 0.24 0.00 0.00 174.94 173.76 1jof n PRO 240 N 1.11 2.05 -1.67 0.37 -0.02 -1.26 -4.88 135.00 130.71 1jof n PRO 240 Ca -0.21 0.74 -0.46 0.00 -2.02 0.00 0.00 63.50 61.56 1jof n PRO 240 Cb 0.57 -2.50 -0.04 0.00 -0.02 0.00 0.00 33.50 31.51 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 3.63 2.08 -0.04 0.52 -0.02 -1.26 -1.47 135.00 138.44 1jof n PRO 241 Ca 0.18 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1jof n PRO 241 Cb 0.28 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 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 2.94 2.47 3.72 -1.23 0.00 -1.26 -5.01 105.19 106.81 1jof n GLY 242 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1jof n GLY 242 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1jof n ILE 243 N -2.00 1.75 -1.67 -0.61 3.06 -0.54 -4.85 119.36 114.51 1jof n ILE 243 Ca 0.00 -0.44 -0.43 0.00 -2.50 0.00 0.00 62.75 59.38 1jof n ILE 243 Cb 0.00 -1.69 -0.03 0.00 0.54 0.00 0.00 39.64 38.46 1jof n ILE 243 CO 0.00 0.00 0.00 -2.65 -2.50 0.00 0.00 176.55 171.40 1jof n PRO 244 N 0.90 2.78 -0.93 9.51 -0.02 -1.26 -4.85 135.00 141.13 1jof n PRO 244 Ca 0.05 1.02 0.05 0.00 -2.02 0.00 0.00 63.50 62.60 1jof n PRO 244 Cb 0.36 -2.95 0.12 0.00 -0.02 0.00 0.00 33.50 31.00 1jof n PRO 244 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1jof n ASP 245 N 7.04 1.36 -4.13 2.55 5.75 -1.26 -4.90 116.55 122.96 1jof n ASP 245 Ca 0.20 -2.96 -0.33 0.00 -0.01 0.00 0.00 54.79 51.69 1jof n ASP 245 Cb 0.39 -0.41 -0.16 0.00 -1.03 0.00 0.00 41.12 39.91 1jof n ASP 245 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1jof s ARG 246 N -1.70 3.00 -0.18 0.11 0.52 -1.26 -1.26 118.95 118.18 1jof s ARG 246 Ca 0.34 -0.84 -0.29 0.00 -0.52 0.00 0.00 55.73 54.42 1jof s ARG 246 Cb 0.35 -2.53 0.00 0.00 0.52 0.00 0.00 34.95 33.29 1jof s ARG 246 CO -0.10 -0.16 1.01 0.34 0.02 0.00 0.00 175.30 176.41 1jof s ASP 247 N 1.16 7.14 0.50 0.23 -1.08 -0.09 -4.88 116.67 119.66 1jof s ASP 247 Ca 0.02 1.41 0.34 0.00 -0.52 0.00 0.00 52.55 53.80 1jof s ASP 247 Cb -0.14 -2.54 1.74 0.00 -1.46 0.00 0.00 42.92 40.53 1jof s ASP 247 CO -0.10 -0.57 2.03 -0.65 0.52 0.00 0.00 175.17 176.41 1jof h PRO 248 N 7.32 0.00 -0.54 4.34 0.11 -1.96 1.34 132.00 142.61 1jof h PRO 248 Ca -0.24 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.60 1jof h PRO 248 Cb 1.10 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.04 1jof h PRO 248 CO 0.92 0.00 0.14 0.39 -0.21 0.00 0.00 178.00 179.24 1jof n GLU 249 N -2.75 2.04 0.00 1.05 4.71 -1.26 -4.46 120.64 119.97 1jof n GLU 249 Ca -0.01 -3.13 0.00 0.00 -0.01 0.00 0.00 57.16 54.01 1jof n GLU 249 Cb 0.11 -1.93 0.00 0.00 -1.01 0.00 0.00 31.44 28.61 1jof n GLU 249 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 1jof n THR 250 N -1.08 0.00 -0.64 2.62 -1.04 -0.85 -4.94 114.28 108.35 1jof n THR 250 Ca 0.41 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.42 1jof n THR 250 Cb 1.23 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.74 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 -0.19 0.07 3.87 3.41 0.00 0.46 -4.91 105.19 107.90 1jof n GLY 251 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.11 3.85 1.04 1.61 0.00 -1.25 -4.73 119.74 119.14 1jof s LYS 252 Ca 0.00 0.32 -0.16 0.00 0.00 0.00 0.00 55.97 56.13 1jof s LYS 252 Cb 0.00 -2.76 0.07 0.00 0.00 0.00 0.00 37.83 35.14 1jof s LYS 252 CO 0.00 0.39 0.18 0.41 0.00 0.00 0.00 175.35 176.33 1jof n GLY 253 N 0.22 -2.29 0.00 0.59 0.00 -1.26 -0.91 105.19 101.54 1jof n GLY 253 Ca -0.02 -0.77 0.08 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.45 0.55 -4.24 0.99 4.77 -0.39 -4.50 117.00 112.73 1jof n LEU 254 Ca 0.03 -0.38 -0.25 0.00 -0.03 0.00 0.00 56.01 55.39 1jof n LEU 254 Cb 0.58 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.53 1jof n LEU 254 CO 0.51 0.14 -0.51 -0.31 -1.33 0.00 0.00 177.39 175.89 1jof s TYR 255 N -2.63 1.74 -0.18 -1.77 1.51 -1.26 -0.42 117.35 114.34 1jof s TYR 255 Ca 0.03 -0.37 -0.04 0.00 -1.01 0.00 0.00 57.07 55.68 1jof s TYR 255 Cb 0.11 -1.04 0.06 0.00 -0.11 0.00 0.00 41.96 40.99 1jof s TYR 255 CO 0.65 0.08 0.06 1.03 -1.11 0.00 0.00 175.55 176.26 1jof s ARG 256 N -1.15 0.38 0.60 -0.62 0.52 -0.53 -4.75 118.95 113.40 1jof s ARG 256 Ca 0.07 -0.27 -0.20 0.00 -0.52 0.00 0.00 55.73 54.81 1jof s ARG 256 Cb -0.09 -1.98 -0.03 0.00 0.52 0.00 0.00 34.95 33.38 1jof s ARG 256 CO 0.02 -0.66 1.32 0.00 0.02 0.00 0.00 175.30 176.00 1jof s ALA 257 N 1.99 2.57 0.00 2.13 0.00 -0.48 -1.24 121.76 126.73 1jof s ALA 257 Ca 0.00 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.23 1jof s ALA 257 Cb -0.17 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1jof s ALA 257 CO -0.09 -1.49 0.00 -3.47 0.00 0.00 0.00 175.76 170.71 1jof n ASP 258 N -1.52 0.00 -4.18 0.00 2.03 0.49 -4.51 116.55 108.86 1jof n ASP 258 Ca 0.13 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.31 1jof n ASP 258 Cb 0.47 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.76 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 0.00 0.90 -0.00 5.18 1.01 -1.23 -4.63 120.40 121.62 1jof s VAL 259 Ca 0.00 -1.71 0.02 0.00 0.00 0.00 0.00 61.98 60.28 1jof s VAL 259 Cb 0.00 -1.43 -0.00 0.00 0.00 0.00 0.00 36.38 34.94 1jof s VAL 259 CO 0.00 -0.63 -0.05 0.00 0.00 0.00 0.00 175.10 174.42 1jof s ALA 261 N -0.13 -1.17 0.38 0.00 0.00 0.02 -4.68 121.76 116.18 1jof s ALA 261 Ca 0.02 1.12 -0.13 0.00 0.00 0.00 0.00 51.96 52.97 1jof s ALA 261 Cb -0.02 -0.49 -0.08 0.00 0.00 0.00 0.00 23.12 22.53 1jof s ALA 261 CO -0.00 -0.25 0.78 -0.51 0.00 0.00 0.00 175.76 175.77 1jof s LEU 262 N -0.28 3.92 0.76 0.00 1.02 -1.26 -1.01 118.68 121.83 1jof s LEU 262 Ca -0.04 1.25 -0.09 0.00 0.02 0.00 0.00 54.13 55.26 1jof s LEU 262 Cb -0.03 -4.10 0.08 0.00 0.02 0.00 0.00 46.19 42.16 1jof s LEU 262 CO 0.03 -0.33 1.09 0.42 0.02 0.00 0.00 176.35 177.58 1jof s THR 263 N -2.22 2.15 0.24 5.49 -4.23 -0.25 -4.82 115.64 112.01 1jof s THR 263 Ca 0.53 -0.16 -0.06 0.00 -1.18 0.00 0.00 61.69 60.82 1jof s THR 263 Cb -0.10 -2.99 0.25 0.00 1.34 0.00 0.00 72.50 71.00 1jof s THR 263 CO 0.25 0.00 1.65 0.15 -0.54 0.00 0.00 174.62 176.13 1jof h PHE 264 N -0.83 0.08 0.00 3.99 3.57 -1.80 -1.50 116.94 120.45 1jof h PHE 264 Ca -0.45 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.08 1jof h PHE 264 Cb 1.32 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 40.13 1jof h PHE 264 CO 0.22 -0.18 -0.11 0.66 -2.23 0.00 0.00 178.31 176.67 1jof h SER 265 N 0.16 0.00 0.00 0.41 4.64 -1.93 -3.46 113.55 113.37 1jof h SER 265 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1jof h SER 265 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1jof h SER 265 CO -0.60 0.11 0.00 0.61 -0.87 0.00 0.00 176.83 176.08 1jof n GLY 266 N 0.08 0.99 0.18 -0.77 0.00 -0.56 -4.89 105.19 100.22 1jof n GLY 266 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 3.50 0.00 0.00 1.61 1.57 -1.86 -3.44 116.57 117.95 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 -2.90 0.00 -3.65 -1.35 4.02 -1.26 0.20 117.16 112.22 1jof n TYR 268 Ca 0.03 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.77 1jof n TYR 268 Cb 0.52 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.77 1jof n TYR 268 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1jof s PHE 270 N -0.47 -0.42 0.10 -0.72 2.99 -0.18 -1.08 117.98 118.20 1jof s PHE 270 Ca 0.00 0.74 -0.07 0.00 0.00 0.00 0.00 56.93 57.60 1jof s PHE 270 Cb 0.00 0.24 -0.01 0.00 0.00 0.00 0.00 43.02 43.25 1jof s PHE 270 CO 0.00 -0.47 0.16 0.00 -0.00 0.00 0.00 175.22 174.91 1jof s ALA 271 N -1.12 0.02 0.21 5.36 0.00 -0.06 -0.80 121.76 125.37 1jof s ALA 271 Ca -0.11 -0.83 -0.09 0.00 0.00 0.00 0.00 51.96 50.93 1jof s ALA 271 Cb -0.03 0.56 -0.01 0.00 0.00 0.00 0.00 23.12 23.64 1jof s ALA 271 CO 0.06 -0.51 0.33 -1.54 0.00 0.00 0.00 175.76 174.10 1jof s SER 272 N -2.91 0.01 0.04 0.00 1.04 -0.41 0.54 113.70 112.01 1jof s SER 272 Ca 0.09 -1.01 -0.15 0.00 0.48 0.00 0.00 55.95 55.37 1jof s SER 272 Cb 0.05 0.48 0.02 0.00 0.10 0.00 0.00 66.02 66.68 1jof s SER 272 CO -0.08 -0.98 0.33 -0.94 0.98 0.00 0.00 173.24 172.55 1jof s SER 273 N -3.03 -0.16 0.29 7.02 1.04 -0.12 -0.38 113.70 118.36 1jof s SER 273 Ca 0.24 -0.13 0.11 0.00 0.48 0.00 0.00 55.95 56.65 1jof s SER 273 Cb 0.03 0.37 -0.05 0.00 0.10 0.00 0.00 66.02 66.46 1jof s SER 273 CO 0.06 -0.61 -0.15 0.00 0.98 0.00 0.00 173.24 173.52 1jof s ARG 274 N -2.45 1.79 0.04 4.02 1.70 -0.37 -1.08 118.95 122.61 1jof s ARG 274 Ca -0.06 -1.75 -0.00 0.00 -0.47 0.00 0.00 55.73 53.45 1jof s ARG 274 Cb -0.01 -1.82 -0.04 0.00 -0.57 0.00 0.00 34.95 32.51 1jof s ARG 274 CO -0.03 0.30 0.18 0.00 -1.08 0.00 0.00 175.30 174.68 1jof s ALA 275 N -2.50 3.93 -2.21 7.88 0.00 -0.14 -1.45 121.76 127.27 1jof s ALA 275 Ca 0.31 -0.84 0.30 0.00 0.00 0.00 0.00 51.96 51.72 1jof s ALA 275 Cb -0.04 -1.79 1.42 0.00 0.00 0.00 0.00 23.12 22.71 1jof s ALA 275 CO 0.16 0.80 1.95 0.09 0.00 0.00 0.00 175.76 178.76 1jof n ASN 276 N 0.49 0.79 -4.05 0.00 3.02 0.45 -4.52 115.26 111.44 1jof n ASN 276 Ca -0.07 -1.21 -0.22 0.00 -0.03 0.00 0.00 54.58 53.05 1jof n ASN 276 Cb 0.51 -0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.53 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 -2.04 1.18 0.60 3.52 1.02 -1.26 -5.03 119.74 117.73 1jof s LYS 277 Ca 0.41 -0.40 0.31 0.00 0.02 0.00 0.00 55.97 56.31 1jof s LYS 277 Cb 0.21 -1.08 1.85 0.00 -0.52 0.00 0.00 37.83 38.29 1jof s LYS 277 CO 0.36 0.17 2.22 0.74 -0.92 0.00 0.00 175.35 177.92 1jof h PHE 278 N 6.28 0.00 -0.01 3.18 -1.00 -1.98 -1.10 116.94 122.31 1jof h PHE 278 Ca -0.33 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.45 1jof h PHE 278 Cb 1.17 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.73 1jof h PHE 278 CO 0.43 0.00 -0.01 -0.85 -1.61 0.00 0.00 178.31 176.28 1jof n GLU 279 N -3.71 1.25 -4.06 1.51 0.00 -1.26 -4.52 120.64 109.86 1jof n GLU 279 Ca -0.02 -0.42 -0.27 0.00 0.00 0.00 0.00 57.16 56.45 1jof n GLU 279 Cb 0.16 -1.49 -0.05 0.00 0.00 0.00 0.00 31.44 30.05 1jof n GLU 279 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1jof s LEU 280 N -2.03 3.87 0.16 -1.84 1.43 -0.42 -5.06 118.68 114.79 1jof s LEU 280 Ca 0.42 -0.06 -0.12 0.00 -1.03 0.00 0.00 54.13 53.34 1jof s LEU 280 Cb 0.21 -2.49 -0.07 0.00 0.03 0.00 0.00 46.19 43.87 1jof s LEU 280 CO 0.36 0.10 0.53 -1.10 0.23 0.00 0.00 176.35 176.47 1jof s GLN 281 N -2.92 3.90 0.23 1.70 -0.21 -1.26 -3.05 119.66 118.05 1jof s GLN 281 Ca 0.31 0.39 -0.01 0.00 0.02 0.00 0.00 55.36 56.07 1jof s GLN 281 Cb -0.11 -2.86 0.05 0.00 1.00 0.00 0.00 33.01 31.09 1jof s GLN 281 CO 0.24 0.44 0.32 0.41 -2.12 0.00 0.00 175.29 174.57 1jof n GLY 282 N 0.54 0.42 3.09 3.09 0.00 -0.48 -4.52 105.19 107.32 1jof n GLY 282 Ca -0.04 -1.93 -0.09 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.94 0.28 -0.02 1.61 1.51 -0.24 -1.02 117.35 118.54 1jof s TYR 283 Ca 0.20 -0.64 0.04 0.00 -1.01 0.00 0.00 57.07 55.66 1jof s TYR 283 Cb -0.01 -0.20 -0.01 0.00 -0.11 0.00 0.00 41.96 41.63 1jof s TYR 283 CO 0.14 -0.35 -0.15 -1.50 -1.11 0.00 0.00 175.55 172.58 1jof s ILE 284 N -2.80 1.17 0.16 2.71 2.07 -0.28 -0.95 121.20 123.28 1jof s ILE 284 Ca -0.03 -0.62 0.06 0.00 -1.41 0.00 0.00 60.65 58.64 1jof s ILE 284 Cb -0.00 -0.98 -0.04 0.00 0.13 0.00 0.00 42.46 41.56 1jof s ILE 284 CO -0.06 0.33 -0.12 0.00 -1.91 0.00 0.00 174.94 173.19 1jof s ALA 285 N -0.25 1.62 -0.00 1.50 0.00 0.19 -1.44 121.76 123.37 1jof s ALA 285 Ca 0.04 -1.51 0.02 0.00 0.00 0.00 0.00 51.96 50.51 1jof s ALA 285 Cb -0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 1jof s ALA 285 CO -0.00 -0.02 -0.07 0.20 0.00 0.00 0.00 175.76 175.86 1jof s GLY 286 N -3.11 0.36 0.08 0.00 0.00 -0.66 -0.88 107.32 103.12 1jof s GLY 286 Ca 0.17 -0.33 0.05 0.00 0.00 0.00 0.00 44.72 44.61 1jof s GLY 286 CO 0.03 -0.28 -0.14 -1.36 0.00 0.00 0.00 173.10 171.35 1jof s PHE 287 N -0.21 1.23 -0.11 1.90 0.40 -1.26 -0.13 117.98 119.78 1jof s PHE 287 Ca 0.02 -0.49 -0.03 0.00 -0.60 0.00 0.00 56.93 55.83 1jof s PHE 287 Cb -0.03 -0.68 -0.03 0.00 0.51 0.00 0.00 43.02 42.79 1jof s PHE 287 CO -0.00 0.06 0.01 0.21 0.70 0.00 0.00 175.22 176.21 1jof s LYS 288 N -1.96 3.28 -0.10 0.44 2.20 -0.60 -4.30 119.74 118.71 1jof s LYS 288 Ca 0.00 -0.39 0.00 0.00 -0.36 0.00 0.00 55.97 55.22 1jof s LYS 288 Cb -0.09 -2.90 -0.02 0.00 -1.51 0.00 0.00 37.83 33.30 1jof s LYS 288 CO 0.02 0.57 -0.10 -0.51 -0.36 0.00 0.00 175.35 174.97 1jof s LEU 289 N -0.51 2.95 0.75 5.43 1.43 0.13 -0.31 118.68 128.55 1jof s LEU 289 Ca 0.09 -0.17 -0.11 0.00 -1.03 0.00 0.00 54.13 52.91 1jof s LEU 289 Cb -0.12 -1.65 0.04 0.00 0.03 0.00 0.00 46.19 44.49 1jof s LEU 289 CO 0.02 0.27 1.09 -0.13 0.23 0.00 0.00 176.35 177.83 1jof s ARG 290 N -0.25 2.39 0.51 1.70 0.52 0.59 -4.78 118.95 119.63 1jof s ARG 290 Ca 0.02 1.20 0.16 0.00 -0.52 0.00 0.00 55.73 56.59 1jof s ARG 290 Cb -0.13 -1.91 1.23 0.00 0.52 0.00 0.00 34.95 34.66 1jof s ARG 290 CO 0.03 -1.55 2.13 -0.44 0.02 0.00 0.00 175.30 175.49 1jof h ASP 291 N -0.89 0.01 1.19 0.23 3.32 -1.95 -0.43 116.42 117.88 1jof h ASP 291 Ca -0.44 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1jof h ASP 291 Cb 1.23 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1jof h ASP 291 CO 0.52 0.03 0.00 0.00 -1.72 0.00 0.00 179.24 178.07 1jof n GLY 293 N 1.06 2.04 3.77 0.00 0.00 -0.17 -4.62 105.19 107.26 1jof n GLY 293 Ca 0.05 0.00 -0.32 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 -1.71 4.85 -0.38 1.61 1.04 -1.26 -4.66 113.70 113.19 1jof s SER 294 Ca 0.00 1.95 -0.28 0.00 0.48 0.00 0.00 55.95 58.11 1jof s SER 294 Cb 0.00 -2.54 0.02 0.00 0.10 0.00 0.00 66.02 63.60 1jof s SER 294 CO 0.00 -1.80 1.02 -0.63 0.98 0.00 0.00 173.24 172.81 1jof s ILE 295 N -2.52 4.47 0.00 -1.02 1.01 -1.26 -0.30 121.20 121.58 1jof s ILE 295 Ca 0.65 1.35 -0.25 0.00 0.00 0.00 0.00 60.65 62.40 1jof s ILE 295 Cb -0.20 -4.43 -0.18 0.00 0.01 0.00 0.00 42.46 37.67 1jof s ILE 295 CO 0.47 -0.65 1.31 -0.08 0.00 0.00 0.00 174.94 175.99 1jof h GLU 296 N 8.56 -0.14 -2.49 2.79 4.81 -0.99 -3.46 114.58 123.66 1jof h GLU 296 Ca -0.22 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.13 1jof h GLU 296 Cb 1.07 0.03 -0.11 0.00 0.63 0.00 0.00 28.75 30.37 1jof h GLU 296 CO 1.03 0.21 0.42 -1.59 -0.73 0.00 0.00 179.01 178.36 1jof s LYS 297 N -4.64 1.12 -0.31 1.92 -2.85 -1.20 -5.01 119.74 108.78 1jof s LYS 297 Ca -0.15 -0.52 -0.17 0.00 -1.00 0.00 0.00 55.97 54.13 1jof s LYS 297 Cb 0.02 0.45 -0.02 0.00 -2.06 0.00 0.00 37.83 36.22 1jof s LYS 297 CO 0.62 -0.50 0.44 -1.14 0.10 0.00 0.00 175.35 174.87 1jof s GLN 298 N -3.36 3.81 0.08 1.78 0.74 -1.26 -1.56 119.66 119.89 1jof s GLN 298 Ca 0.07 -0.06 -0.11 0.00 0.05 0.00 0.00 55.36 55.32 1jof s GLN 298 Cb -0.02 -3.73 -0.23 0.00 1.10 0.00 0.00 33.01 30.13 1jof s GLN 298 CO -0.04 -0.46 1.18 -0.07 -0.55 0.00 0.00 175.29 175.35 1jof h LEU 299 N 8.83 0.75 -7.26 3.68 3.38 -0.87 -3.49 115.31 120.34 1jof h LEU 299 Ca -0.29 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.02 1jof h LEU 299 Cb 1.14 -0.23 -0.10 0.00 0.09 0.00 0.00 40.66 41.56 1jof h LEU 299 CO 0.71 1.47 0.22 0.72 0.09 0.00 0.00 178.44 181.65 1jof s PHE 300 N -3.09 -0.45 -0.25 1.13 -0.12 -1.15 -4.95 117.98 109.10 1jof s PHE 300 Ca -0.08 0.18 -0.02 0.00 -0.05 0.00 0.00 56.93 56.95 1jof s PHE 300 Cb 0.07 0.60 0.12 0.00 -0.63 0.00 0.00 43.02 43.18 1jof s PHE 300 CO 0.91 -0.95 0.32 -1.17 -0.05 0.00 0.00 175.22 174.28 1jof s LEU 301 N -2.79 -0.41 0.08 -1.99 2.96 -1.26 -1.65 118.68 113.62 1jof s LEU 301 Ca 0.04 -0.19 0.04 0.00 -0.22 0.00 0.00 54.13 53.80 1jof s LEU 301 Cb -0.02 0.76 -0.03 0.00 0.50 0.00 0.00 46.19 47.40 1jof s LEU 301 CO -0.08 -0.33 -0.11 -0.44 -1.32 0.00 0.00 176.35 174.07 1jof s SER 302 N 2.44 1.45 0.38 3.68 0.01 -0.52 -4.98 113.70 116.16 1jof s SER 302 Ca 0.10 -0.71 -0.27 0.00 1.31 0.00 0.00 55.95 56.38 1jof s SER 302 Cb -0.15 -0.01 -0.09 0.00 0.21 0.00 0.00 66.02 65.98 1jof s SER 302 CO -0.20 -0.19 1.25 -2.84 0.41 0.00 0.00 173.24 171.67 1jof s PRO 303 N -2.27 4.14 0.46 12.44 0.02 -1.26 -1.13 135.00 147.40 1jof s PRO 303 Ca 0.01 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.08 1jof s PRO 303 Cb -0.06 -2.84 -0.00 0.00 0.02 0.00 0.00 34.50 31.61 1jof s PRO 303 CO 0.01 -0.31 0.68 0.95 -0.33 0.00 0.00 177.00 178.00 1jof s THR 304 N -1.27 3.88 0.35 0.99 -4.23 -0.19 -4.81 115.64 110.37 1jof s THR 304 Ca 0.54 -0.51 0.02 0.00 -1.18 0.00 0.00 61.69 60.57 1jof s THR 304 Cb -0.36 -3.44 0.26 0.00 1.34 0.00 0.00 72.50 70.31 1jof s THR 304 CO 0.46 -0.31 2.01 -0.65 -0.54 0.00 0.00 174.62 175.60 1jof h PRO 305 N 0.37 0.83 0.00 3.99 0.11 -1.96 -3.39 132.00 131.95 1jof h PRO 305 Ca -0.46 -0.05 -0.43 0.00 0.11 0.00 0.00 66.00 65.18 1jof h PRO 305 Cb 1.26 -0.19 -0.08 0.00 0.11 0.00 0.00 31.00 32.10 1jof h PRO 305 CO 0.57 0.55 -0.31 0.25 -0.21 0.00 0.00 178.00 178.84 1jof n THR 306 N -4.44 0.00 0.67 -1.15 -2.24 -1.26 -4.94 114.28 100.92 1jof n THR 306 Ca 0.06 -1.58 0.10 0.00 -2.27 0.00 0.00 64.05 60.36 1jof n THR 306 Cb 0.04 0.35 0.43 0.00 -2.10 0.00 0.00 70.33 69.05 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 -1.28 0.05 0.00 3.42 3.41 -1.17 -1.38 113.62 116.67 1jof n SER 307 Ca -0.12 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 1jof n SER 307 Cb 0.42 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 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 2.81 7.00 5.00 0.00 -1.26 -0.96 105.19 118.32 1jof n GLY 308 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 3.54 0.05 -0.02 0.00 -1.26 -0.77 105.19 104.73 1jof n GLY 309 Ca 0.00 -0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.04 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 13.97 0.00 0.00 1.61 8.25 -1.26 -4.73 115.22 133.05 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 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 30.86 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 -1.15 0.00 -0.87 0.41 2.88 0.05 -4.95 113.62 109.99 1jof n SER 311 Ca 0.14 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.59 1jof n SER 311 Cb 0.27 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.71 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 -3.38 -4.72 -3.46 5.15 0.90 -4.70 115.26 105.06 1jof n ASN 312 Ca 0.00 0.07 -0.42 0.00 -0.60 0.00 0.00 54.58 53.63 1jof n ASN 312 Cb 0.00 -2.31 -0.03 0.00 -0.53 0.00 0.00 39.78 36.91 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 -2.39 3.46 -0.05 5.20 0.00 -1.20 -4.70 121.76 122.09 1jof s ALA 313 Ca 0.00 0.95 -0.07 0.00 0.00 0.00 0.00 51.96 52.84 1jof s ALA 313 Cb 0.00 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 1jof s ALA 313 CO 0.00 -0.49 0.22 0.14 0.00 0.00 0.00 175.76 175.62 1jof s VAL 314 N 0.99 5.38 -0.32 0.00 -7.23 -1.26 -2.68 120.40 115.27 1jof s VAL 314 Ca 0.60 0.21 -0.02 0.00 -1.81 0.00 0.00 61.98 60.97 1jof s VAL 314 Cb -0.32 -3.51 0.11 0.00 0.56 0.00 0.00 36.38 33.22 1jof s VAL 314 CO 0.30 0.49 0.14 -0.55 -0.31 0.00 0.00 175.10 175.17 1jof s SER 315 N -1.39 3.61 0.43 4.85 0.15 0.18 -4.85 113.70 116.69 1jof s SER 315 Ca 0.22 -1.68 -0.25 0.00 0.70 0.00 0.00 55.95 54.94 1jof s SER 315 Cb -0.13 -0.59 -0.08 0.00 -1.71 0.00 0.00 66.02 63.51 1jof s SER 315 CO 0.11 -0.39 1.27 -2.84 1.20 0.00 0.00 173.24 172.59 1jof s PRO 316 N 1.60 3.84 0.16 5.44 0.02 -1.26 -1.18 135.00 143.62 1jof s PRO 316 Ca 0.12 2.06 -0.31 0.00 0.02 0.00 0.00 61.00 62.88 1jof s PRO 316 Cb -0.18 -2.63 -0.10 0.00 0.02 0.00 0.00 34.50 31.61 1jof s PRO 316 CO -0.23 -0.56 1.64 0.00 -0.33 0.00 0.00 177.00 177.52 1jof h PRO 318 N 7.22 0.00 -0.11 0.00 0.11 -1.92 -3.16 132.00 134.14 1jof h PRO 318 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 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 0.93 0.05 0.00 0.91 -0.21 0.00 0.00 178.00 179.68 1jof n TRP 319 N -3.38 0.14 -3.65 0.65 8.01 -1.26 -4.58 117.44 113.37 1jof n TRP 319 Ca -0.02 -0.16 -0.11 0.00 -1.31 0.00 0.00 57.50 55.90 1jof n TRP 319 Cb 0.19 -0.01 -0.08 0.00 -2.01 0.00 0.00 31.31 29.40 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 -0.89 -0.77 0.60 -0.99 0.15 -1.19 -4.99 113.70 105.61 1jof s SER 320 Ca 0.15 1.36 0.38 0.00 0.70 0.00 0.00 55.95 58.54 1jof s SER 320 Cb 0.09 1.31 1.79 0.00 -1.71 0.00 0.00 66.02 67.50 1jof s SER 320 CO 0.13 -0.23 2.14 0.44 1.20 0.00 0.00 173.24 176.92 1jof h ASP 321 N 5.96 0.00 -0.19 5.45 5.19 -1.95 -3.31 116.42 127.57 1jof h ASP 321 Ca -0.30 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.12 1jof h ASP 321 Cb 1.19 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.69 1jof h ASP 321 CO 0.13 0.00 0.13 -0.08 -3.12 0.00 0.00 179.24 176.30 1jof h GLU 322 N 0.00 0.24 0.00 3.56 4.81 -1.92 -3.40 114.58 117.86 1jof h GLU 322 Ca 0.00 -0.01 -0.28 0.00 -0.13 0.00 0.00 59.36 58.93 1jof h GLU 322 Cb 0.31 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.58 1jof h GLU 322 CO 0.00 0.16 -0.21 0.91 -0.73 0.00 0.00 179.01 179.14 1jof n TRP 323 N -4.51 0.45 -3.63 0.92 7.02 -1.25 -0.60 117.44 115.85 1jof n TRP 323 Ca -0.00 -1.09 -0.13 0.00 -1.02 0.00 0.00 57.50 55.25 1jof n TRP 323 Cb 0.08 -0.13 -0.06 0.00 -2.42 0.00 0.00 31.31 28.79 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 -2.39 -1.12 -0.02 6.99 0.00 -0.32 -1.16 121.76 123.72 1jof s ALA 325 Ca 0.01 0.41 -0.06 0.00 0.00 0.00 0.00 51.96 52.33 1jof s ALA 325 Cb 0.00 0.36 0.01 0.00 0.00 0.00 0.00 23.12 23.49 1jof s ALA 325 CO 0.01 -0.48 0.13 -1.50 0.00 0.00 0.00 175.76 173.92 1jof s ILE 326 N -2.47 0.04 0.14 0.00 2.07 -0.67 0.51 121.20 120.83 1jof s ILE 326 Ca -0.05 -0.36 0.08 0.00 -1.41 0.00 0.00 60.65 58.91 1jof s ILE 326 Cb -0.01 -0.30 -0.04 0.00 0.13 0.00 0.00 42.46 42.24 1jof s ILE 326 CO -0.02 -0.20 -0.19 0.42 -1.91 0.00 0.00 174.94 173.03 1jof s THR 327 N -0.66 1.80 0.02 4.00 -4.23 -1.09 -1.60 115.64 113.87 1jof s THR 327 Ca -0.07 -1.78 -0.06 0.00 -1.18 0.00 0.00 61.69 58.59 1jof s THR 327 Cb -0.05 -1.75 -0.00 0.00 1.34 0.00 0.00 72.50 72.04 1jof s THR 327 CO 0.01 -0.22 0.12 1.51 -0.54 0.00 0.00 174.62 175.50 1jof s ASP 328 N -2.39 0.09 -0.21 3.99 -4.77 -1.08 -0.07 116.67 112.24 1jof s ASP 328 Ca 0.12 -0.34 0.13 0.00 -3.30 0.00 0.00 52.55 49.16 1jof s ASP 328 Cb -0.07 0.21 0.42 0.00 -1.09 0.00 0.00 42.92 42.38 1jof s ASP 328 CO 0.06 -0.42 1.28 -0.90 0.70 0.00 0.00 175.17 175.88 1jof n ASP 329 N 1.20 2.20 -0.10 2.11 5.75 -1.19 -3.34 116.55 123.19 1jof n ASP 329 Ca -0.22 -3.62 -0.19 0.00 -0.01 0.00 0.00 54.79 50.76 1jof n ASP 329 Cb 0.57 -0.53 -0.09 0.00 -1.03 0.00 0.00 41.12 40.03 1jof n ASP 329 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 1jof n GLN 330 N -1.15 0.54 -0.01 0.11 7.27 -1.26 -4.62 117.38 118.26 1jof n GLN 330 Ca 0.22 0.55 0.03 0.00 0.07 0.00 0.00 57.00 57.87 1jof n GLN 330 Cb 0.77 -1.72 -0.08 0.00 2.41 0.00 0.00 30.24 31.63 1jof n GLN 330 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1jof n GLU 331 N -4.46 0.67 -0.67 3.69 1.02 -1.26 -5.04 120.64 114.59 1jof n GLU 331 Ca -0.28 -0.08 0.00 0.00 -0.02 0.00 0.00 57.16 56.78 1jof n GLU 331 Cb 0.61 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.78 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 2.00 1.14 3.91 0.62 0.00 -1.21 -4.70 105.19 106.95 1jof n GLY 332 Ca -0.04 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 1jof n GLY 332 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jof s TRP 333 N -2.20 3.53 -0.24 1.61 0.52 -1.22 -0.70 118.94 120.23 1jof s TRP 333 Ca 0.00 0.39 -0.01 0.00 0.02 0.00 0.00 56.10 56.51 1jof s TRP 333 Cb 0.00 -1.87 0.03 0.00 -1.15 0.00 0.00 33.47 30.48 1jof s TRP 333 CO 0.00 0.57 -0.09 -1.17 0.02 0.00 0.00 176.95 176.28 1jof s LEU 334 N -2.28 3.05 0.11 2.99 1.98 -0.45 -2.63 118.68 121.46 1jof s LEU 334 Ca 0.33 -0.91 0.08 0.00 -2.89 0.00 0.00 54.13 50.75 1jof s LEU 334 Cb -0.13 -1.62 -0.04 0.00 0.66 0.00 0.00 46.19 45.06 1jof s LEU 334 CO 0.23 -0.11 -0.14 -1.61 -1.89 0.00 0.00 176.35 172.83 1jof s GLU 335 N 1.29 1.96 -0.10 1.98 2.02 -0.63 -1.46 118.70 123.76 1jof s GLU 335 Ca -0.00 -1.11 0.03 0.00 0.02 0.00 0.00 54.97 53.90 1jof s GLU 335 Cb -0.16 -2.21 0.01 0.00 0.10 0.00 0.00 34.13 31.87 1jof s GLU 335 CO -0.06 0.49 -0.18 0.42 0.02 0.00 0.00 175.26 175.96 1jof s ILE 336 N -1.21 1.61 0.24 -1.63 1.01 0.58 -1.67 121.20 120.13 1jof s ILE 336 Ca 0.20 -0.74 0.10 0.00 0.00 0.00 0.00 60.65 60.21 1jof s ILE 336 Cb -0.11 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 1jof s ILE 336 CO 0.12 0.46 -0.05 -0.31 0.00 0.00 0.00 174.94 175.16 1jof s TYR 337 N 0.71 2.64 -0.07 3.97 1.51 -1.26 -1.04 117.35 123.80 1jof s TYR 337 Ca -0.12 -0.23 0.02 0.00 -1.01 0.00 0.00 57.07 55.73 1jof s TYR 337 Cb -0.16 -1.20 -0.03 0.00 -0.11 0.00 0.00 41.96 40.46 1jof s TYR 337 CO 0.03 0.60 -0.11 0.50 -1.11 0.00 0.00 175.55 175.46 1jof s ARG 338 N -3.38 2.70 -0.34 -0.62 3.52 0.24 -4.34 118.95 116.74 1jof s ARG 338 Ca 0.29 -0.62 -0.08 0.00 -0.13 0.00 0.00 55.73 55.19 1jof s ARG 338 Cb -0.07 -2.50 0.03 0.00 -1.56 0.00 0.00 34.95 30.84 1jof s ARG 338 CO 0.18 0.61 0.14 -0.46 -0.81 0.00 0.00 175.30 174.95 1jof s TRP 339 N -0.67 3.22 -0.03 5.12 -0.00 0.23 -1.47 118.94 125.35 1jof s TRP 339 Ca 0.10 -1.12 -0.01 0.00 -0.00 0.00 0.00 56.10 55.07 1jof s TRP 339 Cb -0.11 -2.33 0.03 0.00 -0.00 0.00 0.00 33.47 31.06 1jof s TRP 339 CO 0.01 -0.65 0.04 0.21 -0.00 0.00 0.00 176.95 176.56 1jof s LYS 340 N 1.49 -0.04 -1.57 5.86 2.47 -0.60 -4.54 119.74 122.80 1jof s LYS 340 Ca 0.01 0.24 -0.12 0.00 -1.56 0.00 0.00 55.97 54.53 1jof s LYS 340 Cb -0.19 -0.31 0.10 0.00 -1.46 0.00 0.00 37.83 35.97 1jof s LYS 340 CO 0.04 -0.21 0.78 -0.25 0.16 0.00 0.00 175.35 175.87 1jof n ASP 341 N 4.44 -3.10 -3.61 1.43 8.00 -1.26 -1.56 116.55 120.90 1jof n ASP 341 Ca -0.22 -0.92 -0.27 0.00 0.71 0.00 0.00 54.79 54.09 1jof n ASP 341 Cb 0.50 -3.27 0.03 0.00 -0.02 0.00 0.00 41.12 38.36 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 -4.48 -5.19 -3.96 -1.24 1.02 -1.26 -4.99 120.64 100.53 1jof n GLU 342 Ca -0.03 0.65 -0.10 0.00 -0.02 0.00 0.00 57.16 57.65 1jof n GLU 342 Cb 0.55 -5.52 -0.12 0.00 -0.02 0.00 0.00 31.44 26.34 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 -3.20 0.23 -0.12 -0.32 0.40 -0.60 -4.98 117.98 109.38 1jof s PHE 343 Ca 0.54 -0.38 -0.03 0.00 -0.60 0.00 0.00 56.93 56.46 1jof s PHE 343 Cb -0.27 -0.16 -0.03 0.00 0.51 0.00 0.00 43.02 43.08 1jof s PHE 343 CO 0.66 -0.13 -0.02 -1.17 0.70 0.00 0.00 175.22 175.27 1jof s LEU 344 N -1.05 3.43 -0.04 -0.37 2.96 -1.26 -1.56 118.68 120.78 1jof s LEU 344 Ca -0.11 0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 53.79 1jof s LEU 344 Cb -0.07 -1.81 0.03 0.00 0.50 0.00 0.00 46.19 44.84 1jof s LEU 344 CO -0.01 0.27 0.09 -1.38 -1.32 0.00 0.00 176.35 174.00 1jof s HIS 345 N -0.22 -0.08 0.32 5.38 -3.43 -0.54 -4.96 115.29 111.76 1jof s HIS 345 Ca 0.05 0.29 -0.29 0.00 -0.80 0.00 0.00 55.06 54.31 1jof s HIS 345 Cb -0.13 -0.09 -0.10 0.00 -1.43 0.00 0.00 32.58 30.84 1jof s HIS 345 CO 0.02 -0.10 1.31 0.50 -2.00 0.00 0.00 174.74 174.47 1jof s ARG 346 N 0.75 4.35 0.00 -0.38 3.52 -1.26 -0.59 118.95 125.34 1jof s ARG 346 Ca -0.06 2.22 0.00 0.00 -0.13 0.00 0.00 55.73 57.76 1jof s ARG 346 Cb -0.08 -3.08 0.00 0.00 -1.56 0.00 0.00 34.95 30.23 1jof s ARG 346 CO -0.03 -0.20 0.00 1.33 -0.81 0.00 0.00 175.30 175.59 1jof n VAL 347 N 0.91 0.00 -3.50 7.11 0.24 -0.21 -4.87 118.33 118.01 1jof n VAL 347 Ca 0.00 -0.03 -0.10 0.00 -2.04 0.00 0.00 64.34 62.17 1jof n VAL 347 Cb 0.42 0.40 -0.03 0.00 -1.47 0.00 0.00 33.84 33.16 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 -1.33 -1.80 0.00 2.33 0.00 -1.15 -4.62 121.76 115.20 1jof s ALA 348 Ca 0.00 1.06 -0.28 0.00 0.00 0.00 0.00 51.96 52.74 1jof s ALA 348 Cb 0.00 0.26 0.10 0.00 0.00 0.00 0.00 23.12 23.48 1jof s ALA 348 CO 0.00 -0.61 0.88 -0.98 0.00 0.00 0.00 175.76 175.05 1jof s ARG 349 N -2.70 0.85 -0.06 0.00 1.70 -1.26 -0.31 118.95 117.16 1jof s ARG 349 Ca 0.02 -0.31 -0.10 0.00 -0.47 0.00 0.00 55.73 54.86 1jof s ARG 349 Cb -0.01 0.39 0.02 0.00 -0.57 0.00 0.00 34.95 34.78 1jof s ARG 349 CO -0.06 -0.37 0.26 0.54 -1.08 0.00 0.00 175.30 174.59 1jof s VAL 350 N -3.15 0.03 -0.14 4.99 0.11 -0.54 -4.58 120.40 117.12 1jof s VAL 350 Ca 0.05 -0.22 -0.05 0.00 -2.93 0.00 0.00 61.98 58.83 1jof s VAL 350 Cb -0.01 -0.45 -0.03 0.00 -1.53 0.00 0.00 36.38 34.36 1jof s VAL 350 CO -0.09 -0.12 0.02 -0.60 -3.33 0.00 0.00 175.10 170.98 1jof s ARG 351 N -0.45 3.54 -0.31 1.54 3.52 -1.26 -1.34 118.95 124.18 1jof s ARG 351 Ca -0.06 -0.40 0.03 0.00 -0.13 0.00 0.00 55.73 55.18 1jof s ARG 351 Cb -0.04 -3.00 0.08 0.00 -1.56 0.00 0.00 34.95 30.44 1jof s ARG 351 CO 0.01 0.44 0.00 0.42 -0.81 0.00 0.00 175.30 175.36 1jof s ILE 352 N -0.13 2.35 -0.99 4.11 1.01 0.12 -5.00 121.20 122.67 1jof s ILE 352 Ca 0.05 -2.03 0.00 0.00 0.00 0.00 0.00 60.65 58.67 1jof s ILE 352 Cb -0.12 -2.59 0.00 0.00 0.01 0.00 0.00 42.46 39.76 1jof s ILE 352 CO 0.02 -0.38 0.00 -2.65 0.00 0.00 0.00 174.94 171.92 1jof n PRO 353 N 4.35 0.00 -3.99 2.79 -0.02 -1.26 -4.68 135.00 132.19 1jof n PRO 353 Ca -0.04 0.00 -0.21 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 -0.99 3.36 0.01 -0.52 0.41 -1.26 -5.03 118.70 114.68 1jof s GLU 354 Ca 0.00 -0.79 -0.34 0.00 -0.41 0.00 0.00 54.97 53.43 1jof s GLU 354 Cb 0.00 -2.85 -0.12 0.00 -1.78 0.00 0.00 34.13 29.38 1jof s GLU 354 CO 0.00 0.43 1.78 -2.30 -0.49 0.00 0.00 175.26 174.68 1jof n PRO 355 N -1.32 2.25 -0.88 0.39 -0.02 -1.26 -1.71 135.00 132.44 1jof n PRO 355 Ca -0.09 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1jof n PRO 355 Cb 0.57 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 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 4.08 0.25 3.74 -1.23 0.00 -1.26 -4.35 105.19 106.42 1jof n GLY 356 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.64 2.97 0.00 1.61 5.36 -0.69 -1.54 117.98 124.05 1jof s PHE 357 Ca 0.00 0.93 0.00 0.00 -0.96 0.00 0.00 56.93 56.90 1jof s PHE 357 Cb 0.00 -3.88 0.00 0.00 -0.34 0.00 0.00 43.02 38.80 1jof s PHE 357 CO 0.00 -2.93 0.00 0.41 -1.46 0.00 0.00 175.22 171.24 1jof n GLY 358 N 2.38 1.75 3.86 13.12 0.00 -1.19 -3.90 105.19 121.21 1jof n GLY 358 Ca 0.08 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 44.97 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 6.69 -0.07 1.61 4.22 -1.26 -3.39 114.94 122.74 1jof s ASN 360 Ca 0.00 0.88 0.01 0.00 -2.14 0.00 0.00 52.86 51.61 1jof s ASN 360 Cb 0.00 -2.21 -0.03 0.00 1.28 0.00 0.00 41.25 40.29 1jof s ASN 360 CO 0.00 0.13 -0.09 0.00 -2.04 0.00 0.00 177.10 175.10 1jof s ALA 361 N -1.45 2.87 -0.00 3.54 0.00 -1.26 -3.62 121.76 121.84 1jof s ALA 361 Ca 0.36 -0.92 0.06 0.00 0.00 0.00 0.00 51.96 51.46 1jof s ALA 361 Cb -0.14 -1.16 -0.02 0.00 0.00 0.00 0.00 23.12 21.81 1jof s ALA 361 CO 0.19 0.55 -0.19 0.96 0.00 0.00 0.00 175.76 177.26 1jof s ILE 362 N -0.71 1.51 -0.18 0.00 -4.36 -1.26 -4.80 121.20 111.40 1jof s ILE 362 Ca 0.11 -0.87 -0.20 0.00 -0.26 0.00 0.00 60.65 59.43 1jof s ILE 362 Cb -0.11 -1.27 -0.03 0.00 1.25 0.00 0.00 42.46 42.30 1jof s ILE 362 CO 0.01 0.38 0.57 0.26 0.24 0.00 0.00 174.94 176.40 1jof s TRP 363 N -0.51 3.40 -0.11 1.37 0.52 -1.26 -4.29 118.94 118.06 1jof s TRP 363 Ca 0.07 0.87 0.03 0.00 0.02 0.00 0.00 56.10 57.10 1jof s TRP 363 Cb -0.08 -2.72 0.00 0.00 -1.15 0.00 0.00 33.47 29.53 1jof s TRP 363 CO -0.00 -0.10 -0.23 -0.47 0.02 0.00 0.00 176.95 176.18 1jof s TYR 364 N 1.61 2.60 0.00 -1.98 5.04 -0.52 -4.99 117.35 119.11 1jof s TYR 364 Ca 0.27 -1.07 0.00 0.00 -2.44 0.00 0.00 57.07 53.83 1jof s TYR 364 Cb -0.16 -1.74 0.00 0.00 0.35 0.00 0.00 41.96 40.41 1jof s TYR 364 CO 0.10 -0.44 0.00 -0.25 -1.34 0.00 0.00 175.55 173.63