#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 4.40 0.18 2.45 1.43 -1.26 -1.97 118.68 123.90 1jof s LEU 2 Ca 0.00 0.76 0.05 0.00 -1.03 0.00 0.00 54.13 53.91 1jof s LEU 2 Cb 0.00 -2.69 -0.05 0.00 0.03 0.00 0.00 46.19 43.49 1jof s LEU 2 CO 0.00 0.27 -0.10 -1.00 0.23 0.00 0.00 176.35 175.75 1jof s HIS 3 N -1.23 1.46 0.01 0.29 3.76 -0.24 -4.97 115.29 114.36 1jof s HIS 3 Ca 0.27 -0.73 0.01 0.00 -0.15 0.00 0.00 55.06 54.46 1jof s HIS 3 Cb -0.14 -0.75 -0.01 0.00 1.11 0.00 0.00 32.58 32.79 1jof s HIS 3 CO 0.14 0.15 -0.05 -1.01 -0.85 0.00 0.00 174.74 173.12 1jof s HIS 4 N -3.23 0.44 0.00 1.40 3.76 -0.91 -0.71 115.29 116.04 1jof s HIS 4 Ca 0.21 -0.19 0.00 0.00 -0.15 0.00 0.00 55.06 54.93 1jof s HIS 4 Cb 0.02 -0.28 0.00 0.00 1.11 0.00 0.00 32.58 33.43 1jof s HIS 4 CO 0.04 -0.03 0.00 1.28 -0.85 0.00 0.00 174.74 175.18 1jof n LEU 5 N 2.59 0.00 0.00 0.89 4.32 0.11 -1.47 117.00 123.43 1jof n LEU 5 Ca -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.84 1jof n LEU 5 Cb 0.58 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.38 1jof n LEU 5 CO 0.24 0.00 0.00 -0.38 -1.22 0.00 0.00 177.39 176.03 1jof n ILE 7 N 0.00 0.00 -3.25 -0.08 -0.00 -0.25 -0.13 119.36 115.65 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 -0.29 4.57 3.06 7.39 0.00 -1.24 -1.50 105.19 117.18 1jof n GLY 8 Ca 0.00 -2.12 -0.08 0.00 0.00 0.00 0.00 46.02 43.83 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 0.37 0.19 -0.64 2.61 -4.23 -0.46 -3.18 115.64 110.30 1jof s THR 9 Ca 0.00 -1.54 0.25 0.00 -1.18 0.00 0.00 61.69 59.22 1jof s THR 9 Cb 0.00 -1.14 0.16 0.00 1.34 0.00 0.00 72.50 72.85 1jof s THR 9 CO 0.00 -0.85 1.50 -0.25 -0.54 0.00 0.00 174.62 174.48 1jof h TRP 10 N 3.60 0.00 -3.91 3.99 2.91 -1.49 -3.04 115.95 118.01 1jof h TRP 10 Ca -0.33 0.00 -0.24 0.00 1.13 0.00 0.00 58.89 59.45 1jof h TRP 10 Cb 1.16 0.00 -0.18 0.00 -0.51 0.00 0.00 29.16 29.63 1jof h TRP 10 CO 0.57 0.00 -0.71 0.99 -1.03 0.00 0.00 178.44 178.26 1jof s THR 11 N -3.16 0.58 0.80 2.65 2.01 -1.26 -4.98 115.64 112.28 1jof s THR 11 Ca 0.08 -1.53 -0.11 0.00 0.31 0.00 0.00 61.69 60.44 1jof s THR 11 Cb 0.12 -1.16 0.07 0.00 0.01 0.00 0.00 72.50 71.54 1jof s THR 11 CO 0.67 -0.66 1.09 -2.84 -0.69 0.00 0.00 174.62 172.19 1jof s PRO 12 N -2.79 2.08 0.30 4.92 0.02 -1.26 -4.47 135.00 133.80 1jof s PRO 12 Ca 0.01 0.93 -0.28 0.00 0.02 0.00 0.00 61.00 61.69 1jof s PRO 12 Cb -0.02 -1.89 -0.09 0.00 0.02 0.00 0.00 34.50 32.52 1jof s PRO 12 CO -0.03 -1.70 1.04 -1.25 -0.33 0.00 0.00 177.00 174.73 1jof s PRO 13 N -4.99 4.56 0.40 5.54 0.04 -1.26 -4.79 135.00 134.51 1jof s PRO 13 Ca 0.61 1.64 -0.27 0.00 0.04 0.00 0.00 61.00 63.02 1jof s PRO 13 Cb -0.16 -3.02 -0.09 0.00 0.04 0.00 0.00 34.50 31.27 1jof s PRO 13 CO 0.56 0.19 1.35 0.20 0.04 0.00 0.00 177.00 179.34 1jof s GLY 14 N -1.16 2.94 -0.18 0.56 0.00 -0.45 -4.88 107.32 104.15 1jof s GLY 14 Ca 0.47 1.32 -0.29 0.00 0.00 0.00 0.00 44.72 46.22 1jof s GLY 14 CO 0.35 1.93 1.00 0.00 0.00 0.00 0.00 173.10 176.37 1jof s ALA 15 N -1.22 -1.94 -0.19 3.20 0.00 -1.26 -3.21 121.76 117.14 1jof s ALA 15 Ca 0.56 1.64 -0.03 0.00 0.00 0.00 0.00 51.96 54.13 1jof s ALA 15 Cb -0.40 -0.86 -0.01 0.00 0.00 0.00 0.00 23.12 21.85 1jof s ALA 15 CO 0.52 -0.29 -0.07 0.42 0.00 0.00 0.00 175.76 176.34 1jof s ILE 16 N -0.82 3.31 -0.15 0.00 1.01 0.19 -4.44 121.20 120.30 1jof s ILE 16 Ca -0.01 -0.53 -0.08 0.00 0.00 0.00 0.00 60.65 60.03 1jof s ILE 16 Cb -0.01 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.94 1jof s ILE 16 CO 0.00 0.46 0.12 -0.36 0.00 0.00 0.00 174.94 175.15 1jof s PHE 17 N 1.10 3.46 -0.29 3.97 0.40 -0.56 -0.44 117.98 125.62 1jof s PHE 17 Ca 0.01 0.38 -0.05 0.00 -0.60 0.00 0.00 56.93 56.67 1jof s PHE 17 Cb -0.15 -2.01 0.02 0.00 0.51 0.00 0.00 43.02 41.39 1jof s PHE 17 CO -0.01 0.51 0.04 0.99 0.70 0.00 0.00 175.22 177.45 1jof s THR 18 N -0.42 3.58 -0.07 0.64 2.01 0.78 -1.09 115.64 121.07 1jof s THR 18 Ca 0.11 -0.91 -0.03 0.00 0.31 0.00 0.00 61.69 61.17 1jof s THR 18 Cb -0.12 -2.89 -0.04 0.00 0.01 0.00 0.00 72.50 69.46 1jof s THR 18 CO 0.02 0.05 0.07 -0.69 -0.69 0.00 0.00 174.62 173.37 1jof s VAL 19 N 1.42 4.82 -0.12 3.82 1.01 0.81 -0.95 120.40 131.21 1jof s VAL 19 Ca 0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 1jof s VAL 19 Cb -0.18 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 1jof s VAL 19 CO 0.01 0.54 -0.01 -1.58 0.00 0.00 0.00 175.10 174.05 1jof s GLN 20 N -1.17 3.31 -0.17 2.72 0.74 0.83 -0.71 119.66 125.21 1jof s GLN 20 Ca 0.17 -0.46 0.01 0.00 0.05 0.00 0.00 55.36 55.13 1jof s GLN 20 Cb -0.12 -2.86 0.03 0.00 1.10 0.00 0.00 33.01 31.16 1jof s GLN 20 CO 0.06 0.49 -0.16 0.12 -0.55 0.00 0.00 175.29 175.25 1jof s PHE 21 N -0.29 2.46 -0.47 1.67 5.36 0.11 -1.78 117.98 125.04 1jof s PHE 21 Ca 0.06 -1.46 -0.20 0.00 -0.96 0.00 0.00 56.93 54.37 1jof s PHE 21 Cb -0.12 -1.73 0.04 0.00 -0.34 0.00 0.00 43.02 40.86 1jof s PHE 21 CO 0.02 -0.74 0.63 0.34 -1.46 0.00 0.00 175.22 174.01 1jof s ASP 22 N 1.39 6.27 0.00 6.13 -1.08 -0.77 -1.08 116.67 127.54 1jof s ASP 22 Ca 0.04 -0.58 0.13 0.00 -0.52 0.00 0.00 52.55 51.61 1jof s ASP 22 Cb -0.14 -2.30 0.75 0.00 -1.46 0.00 0.00 42.92 39.77 1jof s ASP 22 CO -0.11 -0.82 1.39 -0.90 0.52 0.00 0.00 175.17 175.25 1jof n ASP 23 N 6.21 0.00 -0.10 -0.34 5.68 -0.83 0.04 116.55 127.21 1jof n ASP 23 Ca -0.04 -1.37 -0.17 0.00 -0.50 0.00 0.00 54.79 52.71 1jof n ASP 23 Cb 0.47 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.37 1jof n ASP 23 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1jof n GLU 24 N -0.72 0.46 0.03 0.11 1.02 -1.26 -4.52 120.64 115.76 1jof n GLU 24 Ca 0.09 0.14 0.12 0.00 -0.02 0.00 0.00 57.16 57.49 1jof n GLU 24 Cb 0.04 -1.33 0.15 0.00 -0.02 0.00 0.00 31.44 30.29 1jof n GLU 24 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1jof n LYS 25 N -3.38 0.19 -3.39 3.49 5.02 -1.20 -4.98 118.16 113.92 1jof n LYS 25 Ca -0.37 0.03 -0.19 0.00 -2.02 0.00 0.00 58.31 55.77 1jof n LYS 25 Cb 0.84 -1.60 0.07 0.00 -0.02 0.00 0.00 35.03 34.31 1jof n LYS 25 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1jof n LEU 26 N -1.87 -4.71 -4.30 -0.35 4.77 0.11 -5.03 117.00 105.62 1jof n LEU 26 Ca 0.04 -0.76 -0.16 0.00 -0.03 0.00 0.00 56.01 55.10 1jof n LEU 26 Cb 0.40 -3.01 -0.10 0.00 -2.33 0.00 0.00 43.42 38.38 1jof n LEU 26 CO 0.37 0.23 -0.33 0.42 -1.33 0.00 0.00 177.39 176.75 1jof s THR 27 N -3.42 0.91 -0.01 -5.08 -4.23 -1.16 -4.46 115.64 98.19 1jof s THR 27 Ca 0.36 -2.02 0.04 0.00 -1.18 0.00 0.00 61.69 58.89 1jof s THR 27 Cb -0.07 -2.27 -0.01 0.00 1.34 0.00 0.00 72.50 71.49 1jof s THR 27 CO 0.77 -0.37 -0.13 0.00 -0.54 0.00 0.00 174.62 174.35 1jof s LYS 29 N -0.33 0.25 -0.11 0.00 3.01 -0.73 -4.82 119.74 117.01 1jof s LYS 29 Ca 0.05 0.40 -0.29 0.00 -1.01 0.00 0.00 55.97 55.12 1jof s LYS 29 Cb -0.05 0.04 -0.01 0.00 -1.01 0.00 0.00 37.83 36.79 1jof s LYS 29 CO -0.00 -0.08 1.00 -1.17 0.51 0.00 0.00 175.35 175.60 1jof s LEU 30 N 0.56 4.24 0.00 3.17 2.96 -1.26 -0.12 118.68 128.23 1jof s LEU 30 Ca -0.04 1.51 0.03 0.00 -0.22 0.00 0.00 54.13 55.42 1jof s LEU 30 Cb -0.05 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.13 1jof s LEU 30 CO -0.03 -0.45 0.59 2.30 -1.32 0.00 0.00 176.35 177.44 1jof n ILE 31 N 4.57 0.00 -3.65 6.68 -5.35 -0.12 -4.94 119.36 116.56 1jof n ILE 31 Ca 0.09 -0.50 -0.02 0.00 -0.27 0.00 0.00 62.75 62.05 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 -0.32 0.28 -0.35 6.28 2.47 -1.13 -4.97 119.74 122.00 1jof s LYS 32 Ca 0.04 0.46 0.02 0.00 -1.56 0.00 0.00 55.97 54.93 1jof s LYS 32 Cb 0.03 0.07 0.10 0.00 -1.46 0.00 0.00 37.83 36.57 1jof s LYS 32 CO 0.05 -0.05 0.08 0.50 0.16 0.00 0.00 175.35 176.08 1jof s ARG 33 N 1.06 1.63 -0.27 4.03 3.52 -1.26 -0.16 118.95 127.50 1jof s ARG 33 Ca -0.06 -1.84 -0.21 0.00 -0.13 0.00 0.00 55.73 53.48 1jof s ARG 33 Cb -0.03 -3.28 -0.01 0.00 -1.56 0.00 0.00 34.95 30.06 1jof s ARG 33 CO -0.13 -0.95 0.65 0.99 -0.81 0.00 0.00 175.30 175.05 1jof s THR 34 N 0.96 4.95 0.34 4.11 2.01 0.42 -4.92 115.64 123.50 1jof s THR 34 Ca 0.10 1.09 -0.27 0.00 0.31 0.00 0.00 61.69 62.91 1jof s THR 34 Cb -0.20 -3.98 -0.09 0.00 0.01 0.00 0.00 72.50 68.24 1jof s THR 34 CO -0.07 -0.04 1.12 -0.70 -0.69 0.00 0.00 174.62 174.23 1jof s GLU 35 N 2.59 4.38 0.17 4.92 2.12 -1.26 -0.64 118.70 130.98 1jof s GLU 35 Ca 0.27 1.77 -0.01 0.00 0.36 0.00 0.00 54.97 57.36 1jof s GLU 35 Cb -0.15 -2.91 -0.04 0.00 0.26 0.00 0.00 34.13 31.28 1jof s GLU 35 CO 0.10 -0.01 0.08 0.96 -0.54 0.00 0.00 175.26 175.84 1jof s ILE 36 N -1.33 0.15 -0.31 -3.70 -4.36 -1.20 -4.89 121.20 105.55 1jof s ILE 36 Ca 0.51 -1.95 -0.28 0.00 -0.26 0.00 0.00 60.65 58.66 1jof s ILE 36 Cb -0.30 -2.26 -0.12 0.00 1.25 0.00 0.00 42.46 41.04 1jof s ILE 36 CO 0.38 -0.27 1.29 -2.65 0.24 0.00 0.00 174.94 173.94 1jof n PRO 37 N -0.20 0.00 -0.32 0.37 -0.02 -1.26 -4.38 135.00 129.19 1jof n PRO 37 Ca -0.02 0.00 0.31 0.00 -2.02 0.00 0.00 63.50 61.77 1jof n PRO 37 Cb 0.65 -0.94 0.57 0.00 -0.02 0.00 0.00 33.50 33.76 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 4.38 -0.06 -0.80 -0.52 0.00 -1.26 -0.13 117.38 118.99 1jof n GLN 38 Ca 0.32 1.31 0.07 0.00 0.00 0.00 0.00 57.00 58.70 1jof n GLN 38 Cb -0.03 -2.36 0.37 0.00 0.00 0.00 0.00 30.24 28.22 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 -5.11 5.33 -2.52 2.61 5.75 -1.26 -1.34 116.55 120.01 1jof n ASP 39 Ca 0.36 -2.96 -0.26 0.00 -0.01 0.00 0.00 54.79 51.92 1jof n ASP 39 Cb 1.25 -0.66 -0.00 0.00 -1.03 0.00 0.00 41.12 40.68 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 0.35 3.27 -1.85 0.11 1.02 0.81 -4.73 120.64 119.62 1jof n GLU 40 Ca 0.26 -4.45 -0.39 0.00 -0.02 0.00 0.00 57.16 52.57 1jof n GLU 40 Cb 1.14 -2.18 0.03 0.00 -0.02 0.00 0.00 31.44 30.40 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 -3.51 3.38 -0.43 3.49 0.04 -1.26 -4.77 135.00 131.94 1jof s PRO 41 Ca 0.47 2.23 -0.15 0.00 0.04 0.00 0.00 61.00 63.59 1jof s PRO 41 Cb 0.40 -2.40 0.04 0.00 0.04 0.00 0.00 34.50 32.58 1jof s PRO 41 CO -0.17 -1.00 0.34 0.42 0.04 0.00 0.00 177.00 176.62 1jof s ILE 42 N -1.30 5.21 -0.95 0.56 1.01 -1.21 -4.23 121.20 120.28 1jof s ILE 42 Ca 0.67 -0.84 0.27 0.00 0.00 0.00 0.00 60.65 60.75 1jof s ILE 42 Cb -0.40 -3.99 0.16 0.00 0.01 0.00 0.00 42.46 38.24 1jof s ILE 42 CO 0.49 -0.42 1.73 -1.54 0.00 0.00 0.00 174.94 175.19 1jof n SER 43 N 5.17 0.26 -3.56 3.58 3.41 -0.70 -1.35 113.62 120.43 1jof n SER 43 Ca -0.12 0.27 -0.12 0.00 -0.26 0.00 0.00 58.87 58.64 1jof n SER 43 Cb 0.46 -0.27 -0.04 0.00 -0.26 0.00 0.00 64.21 64.09 1jof n SER 43 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1jof s TRP 44 N -3.02 -0.37 0.00 7.33 -0.11 -1.24 -4.52 118.94 117.02 1jof s TRP 44 Ca 0.12 0.23 0.00 0.00 1.22 0.00 0.00 56.10 57.67 1jof s TRP 44 Cb 0.18 0.36 0.00 0.00 -1.50 0.00 0.00 33.47 32.50 1jof s TRP 44 CO 0.60 -0.71 0.00 -2.37 -4.62 0.00 0.00 176.95 169.85 1jof n THR 46 N 0.02 0.00 -3.73 5.86 5.66 -0.72 -0.64 114.28 120.72 1jof n THR 46 Ca -0.17 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.57 1jof n THR 46 Cb 0.63 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.38 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 3.48 0.36 1.09 0.40 -1.26 -0.77 117.98 119.28 1jof s PHE 47 Ca 0.00 0.24 -0.05 0.00 -0.60 0.00 0.00 56.93 56.52 1jof s PHE 47 Cb 0.00 -1.78 0.08 0.00 0.51 0.00 0.00 43.02 41.83 1jof s PHE 47 CO 0.00 0.37 0.49 -0.40 0.70 0.00 0.00 175.22 176.39 1jof n ASP 48 N -0.95 0.14 0.21 1.36 5.75 -0.84 -4.71 116.55 117.50 1jof n ASP 48 Ca -0.06 -1.24 0.15 0.00 -0.01 0.00 0.00 54.79 53.63 1jof n ASP 48 Cb 0.55 -0.37 0.72 0.00 -1.03 0.00 0.00 41.12 40.99 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 -1.13 0.00 -0.07 2.11 2.07 -1.87 -2.17 115.15 114.08 1jof h HIS 49 Ca -0.16 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.36 1jof h HIS 49 Cb 0.47 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.45 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 -2.55 2.32 -2.93 5.12 1.02 -1.26 -4.97 120.64 117.40 1jof n GLU 50 Ca -0.01 -1.46 -0.21 0.00 -0.02 0.00 0.00 57.16 55.47 1jof n GLU 50 Cb 0.13 -1.06 0.01 0.00 -0.02 0.00 0.00 31.44 30.50 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 -0.18 -3.70 0.00 3.49 1.74 -0.82 -4.84 116.66 112.35 1jof n ARG 51 Ca 0.03 0.78 0.10 0.00 -0.77 0.00 0.00 57.85 57.99 1jof n ARG 51 Cb 0.25 -5.54 -0.09 0.00 -1.02 0.00 0.00 32.46 26.06 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 -3.64 0.14 -4.07 5.56 5.02 -1.26 -4.81 118.16 115.10 1jof n LYS 52 Ca -0.11 -0.03 -0.11 0.00 -2.02 0.00 0.00 58.31 56.03 1jof n LYS 52 Cb 0.61 -1.51 -0.11 0.00 -0.02 0.00 0.00 35.03 34.00 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 -3.34 0.73 -0.09 4.39 0.01 -1.26 0.75 114.94 116.13 1jof s ASN 53 Ca 0.05 -0.70 0.03 0.00 -0.71 0.00 0.00 52.86 51.53 1jof s ASN 53 Cb 0.16 0.09 0.01 0.00 0.41 0.00 0.00 41.25 41.91 1jof s ASN 53 CO 0.86 -0.34 -0.19 -0.63 -1.51 0.00 0.00 177.10 175.29 1jof s ILE 54 N -2.23 1.69 -0.01 0.60 1.01 0.95 -1.99 121.20 121.21 1jof s ILE 54 Ca -0.04 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 59.84 1jof s ILE 54 Cb -0.04 -1.48 -0.03 0.00 0.01 0.00 0.00 42.46 40.91 1jof s ILE 54 CO -0.02 0.48 -0.06 -0.31 0.00 0.00 0.00 174.94 175.02 1jof s TYR 55 N 0.50 2.91 0.03 3.97 1.51 0.05 -0.81 117.35 125.51 1jof s TYR 55 Ca -0.17 -0.02 0.01 0.00 -1.01 0.00 0.00 57.07 55.89 1jof s TYR 55 Cb -0.17 -1.63 -0.02 0.00 -0.11 0.00 0.00 41.96 40.03 1jof s TYR 55 CO 0.06 0.37 -0.05 0.20 -1.11 0.00 0.00 175.55 175.03 1jof s GLY 56 N -1.34 0.35 -0.51 0.71 0.00 0.01 -1.75 107.32 104.79 1jof s GLY 56 Ca 0.17 -0.61 -0.23 0.00 0.00 0.00 0.00 44.72 44.04 1jof s GLY 56 CO 0.07 -0.66 0.83 0.00 0.00 0.00 0.00 173.10 173.34 1jof s ALA 57 N -1.24 3.24 0.00 3.20 0.00 0.18 -1.92 121.76 125.23 1jof s ALA 57 Ca -0.11 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.60 1jof s ALA 57 Cb -0.09 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1jof s ALA 57 CO -0.00 -2.17 0.00 0.00 0.00 0.00 0.00 175.76 173.59 1jof n ALA 58 N 6.99 1.99 0.00 0.00 0.00 -1.26 -1.71 120.51 126.51 1jof n ALA 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jof n ALA 58 Cb 0.47 0.40 0.00 0.00 0.00 0.00 0.00 19.45 20.33 1jof n ALA 58 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jof n LYS 60 N -2.29 0.00 -4.39 0.00 4.76 -1.26 -4.61 118.16 110.36 1jof n LYS 60 Ca 0.00 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.24 1jof n LYS 60 Cb 0.48 -0.16 -0.10 0.00 -1.84 0.00 0.00 35.03 33.40 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 1.46 -0.32 1.97 -0.14 -1.26 -3.73 119.74 117.63 1jof s LYS 61 Ca 0.00 -1.68 -0.00 0.00 -1.36 0.00 0.00 55.97 52.93 1jof s LYS 61 Cb 0.00 -1.28 0.07 0.00 -1.68 0.00 0.00 37.83 34.94 1jof s LYS 61 CO 0.00 0.18 0.04 -1.58 -0.76 0.00 0.00 175.35 173.23 1jof s TRP 62 N -2.87 3.42 0.23 3.18 0.52 0.45 -4.63 118.94 119.24 1jof s TRP 62 Ca 0.26 -2.24 0.03 0.00 0.02 0.00 0.00 56.10 54.17 1jof s TRP 62 Cb -0.01 -2.46 -0.03 0.00 -1.15 0.00 0.00 33.47 29.82 1jof s TRP 62 CO 0.10 -0.88 0.37 -1.54 0.02 0.00 0.00 176.95 175.02 1jof s SER 63 N 1.30 6.33 -0.04 2.95 1.04 -0.81 -0.69 113.70 123.79 1jof s SER 63 Ca -0.00 0.17 0.02 0.00 0.48 0.00 0.00 55.95 56.61 1jof s SER 63 Cb -0.20 -1.90 0.01 0.00 0.10 0.00 0.00 66.02 64.02 1jof s SER 63 CO -0.03 -0.07 -0.08 -0.55 0.98 0.00 0.00 173.24 173.49 1jof s SER 64 N -3.75 1.19 -0.00 7.02 0.15 0.49 -0.81 113.70 117.98 1jof s SER 64 Ca 0.35 -0.18 0.02 0.00 0.70 0.00 0.00 55.95 56.84 1jof s SER 64 Cb -0.10 -0.43 -0.01 0.00 -1.71 0.00 0.00 66.02 63.78 1jof s SER 64 CO 0.30 0.02 -0.06 -0.36 1.20 0.00 0.00 173.24 174.34 1jof s PHE 65 N 0.47 0.56 0.06 3.44 0.40 0.01 -0.88 117.98 122.04 1jof s PHE 65 Ca -0.07 -0.14 -0.12 0.00 -0.60 0.00 0.00 56.93 56.00 1jof s PHE 65 Cb -0.11 -0.36 -0.06 0.00 0.51 0.00 0.00 43.02 43.00 1jof s PHE 65 CO 0.01 -0.01 0.42 0.00 0.70 0.00 0.00 175.22 176.33 1jof s ALA 66 N -0.24 3.70 -0.24 5.36 0.00 -0.37 -0.04 121.76 129.93 1jof s ALA 66 Ca 0.01 -0.29 0.02 0.00 0.00 0.00 0.00 51.96 51.70 1jof s ALA 66 Cb -0.03 -2.34 0.05 0.00 0.00 0.00 0.00 23.12 20.80 1jof s ALA 66 CO -0.00 0.52 -0.12 0.08 0.00 0.00 0.00 175.76 176.24 1jof s VAL 67 N -1.28 2.01 -0.11 0.00 1.01 0.23 -0.79 120.40 121.47 1jof s VAL 67 Ca 0.30 -1.39 0.15 0.00 0.00 0.00 0.00 61.98 61.04 1jof s VAL 67 Cb -0.15 -2.08 -0.23 0.00 0.00 0.00 0.00 36.38 33.92 1jof s VAL 67 CO 0.16 0.08 0.47 2.29 0.00 0.00 0.00 175.10 178.11 1jof n LYS 68 N 4.52 0.65 -3.82 2.72 2.85 -0.42 -4.68 118.16 119.98 1jof n LYS 68 Ca -0.15 0.16 -0.06 0.00 -1.05 0.00 0.00 58.31 57.22 1jof n LYS 68 Cb 0.44 -1.69 0.01 0.00 -0.65 0.00 0.00 35.03 33.14 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 -5.78 -0.09 0.56 -5.58 1.04 -1.23 -4.97 113.70 97.65 1jof s SER 69 Ca -0.06 -0.74 0.26 0.00 0.48 0.00 0.00 55.95 55.88 1jof s SER 69 Cb 0.08 0.65 1.49 0.00 0.10 0.00 0.00 66.02 68.34 1jof s SER 69 CO 0.83 -1.26 2.04 -0.65 0.98 0.00 0.00 173.24 175.18 1jof h PRO 70 N 2.00 0.00 -0.13 4.02 0.11 -1.99 -2.28 132.00 133.73 1jof h PRO 70 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 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 0.32 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.36 1jof n THR 71 N -4.11 0.23 -3.90 -1.15 -2.24 -1.26 -4.79 114.28 97.05 1jof n THR 71 Ca 0.05 -0.61 -0.30 0.00 -2.27 0.00 0.00 64.05 60.92 1jof n THR 71 Cb 0.45 1.14 -0.14 0.00 -2.10 0.00 0.00 70.33 69.68 1jof n THR 71 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1jof s GLU 72 N -1.25 1.93 -0.19 -0.78 2.02 -0.86 -5.02 118.70 114.55 1jof s GLU 72 Ca 0.22 -2.63 0.00 0.00 0.02 0.00 0.00 54.97 52.58 1jof s GLU 72 Cb 0.14 -3.17 0.01 0.00 0.10 0.00 0.00 34.13 31.21 1jof s GLU 72 CO 0.20 -1.14 -0.17 0.42 0.02 0.00 0.00 175.26 174.59 1jof s ILE 73 N -0.35 2.33 -0.18 -1.63 1.01 -1.26 -1.29 121.20 119.82 1jof s ILE 73 Ca 0.18 -0.85 -0.01 0.00 0.00 0.00 0.00 60.65 59.97 1jof s ILE 73 Cb -0.23 -2.00 -0.00 0.00 0.01 0.00 0.00 42.46 40.25 1jof s ILE 73 CO -0.02 0.52 -0.12 -0.69 0.00 0.00 0.00 174.94 174.62 1jof s VAL 74 N 1.30 2.84 0.15 2.92 1.01 0.03 -4.96 120.40 123.69 1jof s VAL 74 Ca 0.04 -0.69 -0.31 0.00 0.00 0.00 0.00 61.98 61.02 1jof s VAL 74 Cb -0.13 -2.24 -0.11 0.00 0.00 0.00 0.00 36.38 33.90 1jof s VAL 74 CO -0.10 0.49 1.79 -2.28 0.00 0.00 0.00 175.10 175.00 1jof s HIS 75 N 1.11 2.41 0.00 5.22 2.46 -1.26 -1.24 115.29 123.98 1jof s HIS 75 Ca 0.00 0.10 0.00 0.00 0.47 0.00 0.00 55.06 55.64 1jof s HIS 75 Cb -0.14 -4.17 0.00 0.00 -0.13 0.00 0.00 32.58 28.14 1jof s HIS 75 CO -0.03 -4.68 0.00 0.39 -2.47 0.00 0.00 174.74 167.95 1jof n GLU 76 N 5.10 3.85 0.00 2.88 1.02 -0.06 -4.91 120.64 128.52 1jof n GLU 76 Ca 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 1jof n GLU 76 Cb 0.37 -0.72 0.00 0.00 -0.02 0.00 0.00 31.44 31.08 1jof n GLU 76 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jof n ALA 77 N -1.20 0.00 -3.43 0.62 0.00 -1.10 -4.98 120.51 110.41 1jof n ALA 77 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1jof n ALA 77 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1jof n ALA 77 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1jof s SER 78 N 0.00 0.57 0.17 0.00 0.01 -1.26 -0.38 113.70 112.81 1jof s SER 78 Ca 0.00 0.16 0.03 0.00 1.31 0.00 0.00 55.95 57.45 1jof s SER 78 Cb 0.00 0.87 -0.03 0.00 0.21 0.00 0.00 66.02 67.07 1jof s SER 78 CO 0.00 -0.30 0.29 -1.00 0.41 0.00 0.00 173.24 172.64 1jof s HIS 79 N 2.47 3.44 0.64 2.43 3.76 0.14 -4.84 115.29 123.33 1jof s HIS 79 Ca 0.09 0.07 -0.09 0.00 -0.15 0.00 0.00 55.06 54.99 1jof s HIS 79 Cb -0.15 -1.63 0.01 0.00 1.11 0.00 0.00 32.58 31.92 1jof s HIS 79 CO -0.14 0.50 0.99 -1.25 -0.85 0.00 0.00 174.74 173.99 1jof s PRO 80 N -3.39 2.91 0.01 8.40 0.04 -1.26 -0.41 135.00 141.30 1jof s PRO 80 Ca 0.34 0.23 -0.30 0.00 0.04 0.00 0.00 61.00 61.30 1jof s PRO 80 Cb -0.10 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 1jof s PRO 80 CO 0.28 -0.85 1.17 0.42 0.04 0.00 0.00 177.00 178.07 1jof s ILE 81 N -3.16 4.21 0.55 0.56 1.01 -1.24 -4.80 121.20 118.33 1jof s ILE 81 Ca 0.56 1.57 0.02 0.00 0.00 0.00 0.00 60.65 62.80 1jof s ILE 81 Cb -0.11 -4.01 0.04 0.00 0.01 0.00 0.00 42.46 38.39 1jof s ILE 81 CO 0.48 0.08 0.78 -0.83 0.00 0.00 0.00 174.94 175.45 1jof s GLY 82 N 1.20 1.83 0.00 6.18 0.00 -1.26 -4.57 107.32 110.70 1jof s GLY 82 Ca 0.57 -1.36 0.00 0.00 0.00 0.00 0.00 44.72 43.93 1jof s GLY 82 CO 0.27 -1.07 0.00 0.61 0.00 0.00 0.00 173.10 172.91 1jof n GLY 83 N -2.34 0.58 3.77 0.20 0.00 -1.26 -4.87 105.19 101.26 1jof n GLY 83 Ca 0.08 -1.18 -0.41 0.00 0.00 0.00 0.00 46.02 44.51 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 2.83 0.20 1.61 5.65 -1.26 -4.92 115.29 119.39 1jof s HIS 84 Ca 0.00 1.15 -0.11 0.00 0.25 0.00 0.00 55.06 56.35 1jof s HIS 84 Cb 0.00 -3.89 0.26 0.00 -1.18 0.00 0.00 32.58 27.77 1jof s HIS 84 CO 0.00 -2.70 1.71 -1.35 -0.65 0.00 0.00 174.74 171.75 1jof h PRO 85 N 3.81 0.24 0.00 2.88 0.11 -1.94 -2.02 132.00 135.08 1jof h PRO 85 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1jof h PRO 85 Cb 1.23 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1jof h PRO 85 CO 0.70 0.16 0.00 0.54 -0.21 0.00 0.00 178.00 179.19 1jof n ARG 86 N -5.12 0.16 -0.34 1.05 1.74 -1.26 -3.66 116.66 109.23 1jof n ARG 86 Ca 0.08 0.11 0.21 0.00 -0.77 0.00 0.00 57.85 57.48 1jof n ARG 86 Cb 0.29 -1.50 0.46 0.00 -1.02 0.00 0.00 32.46 30.69 1jof n ARG 86 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jof h ALA 87 N 2.86 2.06 0.00 7.54 0.00 -1.61 -1.35 119.26 128.77 1jof h ALA 87 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1jof h ALA 87 Cb 0.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1jof h ALA 87 CO 0.00 -0.49 -0.54 0.09 0.00 0.00 0.00 179.25 178.30 1jof n ASN 88 N -4.73 0.53 -4.68 0.00 3.02 -1.24 -4.59 115.26 103.57 1jof n ASN 88 Ca 0.26 -0.23 -0.44 0.00 -0.03 0.00 0.00 54.58 54.14 1jof n ASN 88 Cb 0.83 0.28 -0.02 0.00 -0.61 0.00 0.00 39.78 40.26 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 -1.57 2.90 0.11 6.41 8.00 -0.51 -4.79 116.55 127.09 1jof n ASP 89 Ca 0.05 1.14 0.10 0.00 0.71 0.00 0.00 54.79 56.79 1jof n ASP 89 Cb 0.35 -1.45 0.45 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 1.90 1.35 0.85 2.24 0.00 -1.26 -2.37 120.51 123.22 1jof n ALA 90 Ca 0.11 0.10 0.11 0.00 0.00 0.00 0.00 53.44 53.76 1jof n ALA 90 Cb 0.32 -1.30 0.30 0.00 0.00 0.00 0.00 19.45 18.77 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 -2.07 2.45 -4.64 0.00 5.68 -1.26 -4.91 116.55 111.81 1jof n ASP 91 Ca 0.01 -1.84 -0.30 0.00 -0.50 0.00 0.00 54.79 52.16 1jof n ASP 91 Cb 0.12 -0.16 -0.09 0.00 -1.14 0.00 0.00 41.12 39.85 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 -1.68 3.71 -2.00 2.12 -4.23 -1.00 -5.03 115.64 107.53 1jof s THR 92 Ca 0.35 -1.13 0.22 0.00 -1.18 0.00 0.00 61.69 59.95 1jof s THR 92 Cb 0.20 -2.75 0.62 0.00 1.34 0.00 0.00 72.50 71.90 1jof s THR 92 CO 0.28 0.11 1.82 -0.46 -0.54 0.00 0.00 174.62 175.84 1jof n ASN 93 N 0.62 0.00 -4.63 3.99 0.23 -1.26 -4.89 115.26 109.32 1jof n ASN 93 Ca -0.12 -1.26 -0.46 0.00 -0.53 0.00 0.00 54.58 52.22 1jof n ASN 93 Cb 0.52 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.19 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 -0.85 1.21 -3.85 5.53 -1.04 -1.26 -4.72 114.28 109.30 1jof n THR 94 Ca 0.16 -0.30 -0.12 0.00 -2.04 0.00 0.00 64.05 61.75 1jof n THR 94 Cb 0.08 -1.18 -0.13 0.00 -1.82 0.00 0.00 70.33 67.28 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 -0.73 0.12 -0.16 -2.82 3.52 -0.80 -4.79 118.95 113.30 1jof s ARG 95 Ca 0.67 0.06 -0.29 0.00 -0.13 0.00 0.00 55.73 56.03 1jof s ARG 95 Cb -0.72 0.06 -0.03 0.00 -1.56 0.00 0.00 34.95 32.70 1jof s ARG 95 CO 0.53 -0.02 1.51 0.00 -0.81 0.00 0.00 175.30 176.51 1jof s ALA 96 N -0.10 3.48 -0.10 6.12 0.00 -1.26 0.02 121.76 129.94 1jof s ALA 96 Ca -0.01 0.57 0.04 0.00 0.00 0.00 0.00 51.96 52.56 1jof s ALA 96 Cb -0.01 -3.75 -0.09 0.00 0.00 0.00 0.00 23.12 19.27 1jof s ALA 96 CO 0.00 -1.57 -0.03 1.51 0.00 0.00 0.00 175.76 175.67 1jof n ILE 97 N 5.85 0.59 -3.98 0.00 0.13 -0.56 -4.32 119.36 117.07 1jof n ILE 97 Ca 0.17 -0.29 -0.09 0.00 -1.10 0.00 0.00 62.75 61.43 1jof n ILE 97 Cb 0.44 -0.83 -0.11 0.00 -0.84 0.00 0.00 39.64 38.31 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 -2.21 0.26 -0.05 9.51 5.36 -1.13 -4.66 117.98 125.06 1jof s PHE 98 Ca -0.09 -0.54 -0.06 0.00 -0.96 0.00 0.00 56.93 55.28 1jof s PHE 98 Cb 0.03 -0.19 0.01 0.00 -0.34 0.00 0.00 43.02 42.53 1jof s PHE 98 CO 0.29 -0.23 0.16 -1.17 -1.46 0.00 0.00 175.22 172.82 1jof s LEU 99 N -1.64 1.39 -0.03 6.12 2.96 -1.26 -0.88 118.68 125.33 1jof s LEU 99 Ca -0.13 0.22 -0.00 0.00 -0.22 0.00 0.00 54.13 54.00 1jof s LEU 99 Cb -0.07 0.61 0.03 0.00 0.50 0.00 0.00 46.19 47.25 1jof s LEU 99 CO -0.02 -0.13 0.02 -0.22 -1.32 0.00 0.00 176.35 174.69 1jof s LEU 100 N -0.23 0.84 -0.32 -0.68 2.96 0.16 -4.88 118.68 116.52 1jof s LEU 100 Ca -0.03 0.01 -0.10 0.00 -0.22 0.00 0.00 54.13 53.78 1jof s LEU 100 Cb -0.03 -0.19 -0.01 0.00 0.50 0.00 0.00 46.19 46.47 1jof s LEU 100 CO 0.01 -0.15 0.18 0.00 -1.32 0.00 0.00 176.35 175.06 1jof s ALA 101 N 1.40 3.33 0.42 5.97 0.00 -1.26 -0.42 121.76 131.20 1jof s ALA 101 Ca -0.05 -1.42 -0.26 0.00 0.00 0.00 0.00 51.96 50.24 1jof s ALA 101 Cb -0.13 -2.47 -0.10 0.00 0.00 0.00 0.00 23.12 20.43 1jof s ALA 101 CO -0.03 -0.97 1.31 0.00 0.00 0.00 0.00 175.76 176.08 1jof n ALA 102 N 5.01 1.49 1.02 0.00 0.00 -0.61 -4.81 120.51 122.61 1jof n ALA 102 Ca -0.13 0.27 0.11 0.00 0.00 0.00 0.00 53.44 53.68 1jof n ALA 102 Cb 0.49 -2.30 -0.01 0.00 0.00 0.00 0.00 19.45 17.63 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 0.02 0.54 -4.26 0.00 5.02 -1.26 -4.52 118.16 113.70 1jof n LYS 103 Ca 0.06 -0.43 -0.28 0.00 -2.02 0.00 0.00 58.31 55.64 1jof n LYS 103 Cb 0.40 -1.49 -0.09 0.00 -0.02 0.00 0.00 35.03 33.82 1jof n LYS 103 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1jof s GLN 104 N -2.76 2.12 0.44 1.97 -1.52 -1.26 -4.90 119.66 113.74 1jof s GLN 104 Ca 0.14 -1.18 -0.23 0.00 -1.95 0.00 0.00 55.36 52.14 1jof s GLN 104 Cb 0.17 -2.23 -0.11 0.00 -0.22 0.00 0.00 33.01 30.62 1jof s GLN 104 CO 0.71 0.46 0.71 -2.30 -0.25 0.00 0.00 175.29 174.62 1jof n PRO 105 N 0.22 0.81 -0.32 2.91 -0.02 -1.26 -0.87 135.00 136.47 1jof n PRO 105 Ca -0.11 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1jof n PRO 105 Cb 0.54 -1.71 0.12 0.00 -0.02 0.00 0.00 33.50 32.43 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 0.34 2.11 -3.54 0.52 -0.04 -1.26 -4.93 135.00 128.20 1jof n PRO 106 Ca 0.11 -1.03 -0.26 0.00 -0.04 0.00 0.00 63.50 62.28 1jof n PRO 106 Cb 0.40 -1.68 0.03 0.00 -0.04 0.00 0.00 33.50 32.21 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 0.15 -2.19 -1.38 0.54 4.02 -0.05 -4.62 117.16 113.63 1jof n TYR 107 Ca 0.11 0.73 -0.30 0.00 -0.01 0.00 0.00 57.90 58.44 1jof n TYR 107 Cb 0.63 -4.01 0.12 0.00 -0.02 0.00 0.00 39.34 36.06 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 -3.19 1.88 -0.11 -0.72 0.00 -1.26 -4.54 121.76 113.82 1jof s ALA 108 Ca 0.51 -0.15 0.03 0.00 0.00 0.00 0.00 51.96 52.35 1jof s ALA 108 Cb -0.25 -3.15 -0.00 0.00 0.00 0.00 0.00 23.12 19.72 1jof s ALA 108 CO 0.63 -2.06 -0.21 0.08 0.00 0.00 0.00 175.76 174.20 1jof s VAL 109 N -3.05 2.34 -0.19 0.00 1.01 -0.21 -1.58 120.40 118.73 1jof s VAL 109 Ca 0.62 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 1jof s VAL 109 Cb -0.16 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 1jof s VAL 109 CO 0.56 0.55 -0.05 -0.31 0.00 0.00 0.00 175.10 175.85 1jof s TYR 110 N 0.32 2.96 0.12 5.22 1.51 0.44 -0.90 117.35 127.02 1jof s TYR 110 Ca -0.16 -0.68 0.09 0.00 -1.01 0.00 0.00 57.07 55.31 1jof s TYR 110 Cb -0.17 -2.03 -0.04 0.00 -0.11 0.00 0.00 41.96 39.61 1jof s TYR 110 CO 0.08 -0.34 -0.23 0.00 -1.11 0.00 0.00 175.55 173.94 1jof s ALA 111 N 1.01 2.05 -0.15 3.71 0.00 0.11 -0.67 121.76 127.82 1jof s ALA 111 Ca 0.00 -1.36 0.01 0.00 0.00 0.00 0.00 51.96 50.62 1jof s ALA 111 Cb -0.15 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.70 1jof s ALA 111 CO 0.00 0.42 -0.19 -0.80 0.00 0.00 0.00 175.76 175.20 1jof s ASN 112 N -2.04 2.96 0.69 0.00 0.01 -0.06 -0.74 114.94 115.76 1jof s ASN 112 Ca 0.10 -0.58 -0.09 0.00 -0.71 0.00 0.00 52.86 51.58 1jof s ASN 112 Cb -0.10 -1.37 0.03 0.00 0.41 0.00 0.00 41.25 40.23 1jof s ASN 112 CO 0.05 0.01 1.04 -2.16 -1.51 0.00 0.00 177.10 174.54 1jof s PRO 113 N 1.15 2.57 0.15 -0.60 0.04 -1.26 -1.50 135.00 135.55 1jof s PRO 113 Ca 0.00 0.12 -0.01 0.00 0.04 0.00 0.00 61.00 61.15 1jof s PRO 113 Cb -0.14 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 1jof s PRO 113 CO -0.08 -1.09 0.08 0.12 0.04 0.00 0.00 177.00 176.07 1jof s PHE 114 N -3.28 0.90 0.00 0.56 5.36 0.10 -4.45 117.98 117.17 1jof s PHE 114 Ca 0.58 -1.24 0.00 0.00 -0.96 0.00 0.00 56.93 55.31 1jof s PHE 114 Cb -0.11 -0.47 0.00 0.00 -0.34 0.00 0.00 43.02 42.10 1jof s PHE 114 CO 0.48 -0.56 0.00 0.66 -1.46 0.00 0.00 175.22 174.34 1jof n TYR 115 N -0.14 0.00 -1.46 10.12 4.02 -1.26 -1.90 117.16 126.54 1jof n TYR 115 Ca -0.04 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.54 1jof n TYR 115 Cb 0.64 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 40.04 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 2.46 -1.48 -0.72 1.02 -1.26 -3.84 119.74 115.93 1jof s LYS 116 Ca 0.00 0.93 -0.05 0.00 0.02 0.00 0.00 55.97 56.87 1jof s LYS 116 Cb 0.00 -1.94 0.04 0.00 -0.52 0.00 0.00 37.83 35.41 1jof s LYS 116 CO 0.00 -1.43 0.54 1.19 -0.92 0.00 0.00 175.35 174.73 1jof n PHE 117 N -3.35 -1.71 -1.34 3.18 3.01 -1.26 -4.26 117.46 111.73 1jof n PHE 117 Ca 0.08 0.77 0.08 0.00 1.01 0.00 0.00 57.45 59.39 1jof n PHE 117 Cb 0.54 -3.60 0.15 0.00 -0.01 0.00 0.00 39.48 36.56 1jof n PHE 117 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1jof n ALA 118 N -4.42 2.68 0.65 4.37 0.00 -1.25 -4.51 120.51 118.03 1jof n ALA 118 Ca -0.21 -2.72 0.00 0.00 0.00 0.00 0.00 53.44 50.51 1jof n ALA 118 Cb 0.63 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.69 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 -1.19 0.83 3.14 0.00 0.00 -1.26 -4.57 105.19 102.14 1jof n GLY 119 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 1jof n GLY 119 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jof s TYR 120 N -1.06 0.73 0.21 1.61 1.51 -1.26 -1.23 117.35 117.87 1jof s TYR 120 Ca 0.00 -1.01 0.07 0.00 -1.01 0.00 0.00 57.07 55.12 1jof s TYR 120 Cb 0.00 -0.46 -0.04 0.00 -0.11 0.00 0.00 41.96 41.35 1jof s TYR 120 CO 0.00 -0.28 0.14 0.20 -1.11 0.00 0.00 175.55 174.50 1jof s GLY 121 N -2.99 1.57 -0.16 0.71 0.00 0.54 -4.35 107.32 102.65 1jof s GLY 121 Ca 0.11 -1.36 0.02 0.00 0.00 0.00 0.00 44.72 43.48 1jof s GLY 121 CO -0.06 -1.39 -0.20 -1.31 0.00 0.00 0.00 173.10 170.13 1jof s ASN 122 N -3.47 3.19 -0.12 1.64 0.02 0.08 -2.68 114.94 113.60 1jof s ASN 122 Ca 0.31 -0.60 -0.02 0.00 -1.02 0.00 0.00 52.86 51.53 1jof s ASN 122 Cb -0.09 -1.47 -0.03 0.00 0.02 0.00 0.00 41.25 39.68 1jof s ASN 122 CO 0.23 0.05 -0.05 -0.69 0.02 0.00 0.00 177.10 176.66 1jof s VAL 123 N 0.98 3.77 -0.05 1.60 1.01 -0.15 0.07 120.40 127.63 1jof s VAL 123 Ca -0.03 -0.42 0.05 0.00 0.00 0.00 0.00 61.98 61.58 1jof s VAL 123 Cb -0.15 -2.61 -0.00 0.00 0.00 0.00 0.00 36.38 33.62 1jof s VAL 123 CO -0.05 0.53 -0.20 -0.36 0.00 0.00 0.00 175.10 175.02 1jof s PHE 124 N -0.05 1.98 0.64 5.22 0.40 -0.08 -1.31 117.98 124.77 1jof s PHE 124 Ca 0.01 -0.61 -0.07 0.00 -0.60 0.00 0.00 56.93 55.65 1jof s PHE 124 Cb -0.13 -1.32 0.02 0.00 0.51 0.00 0.00 43.02 42.09 1jof s PHE 124 CO 0.03 -0.21 0.97 -1.54 0.70 0.00 0.00 175.22 175.16 1jof s SER 125 N 0.06 5.40 0.23 1.36 1.04 -0.52 -1.04 113.70 120.23 1jof s SER 125 Ca -0.06 0.75 0.10 0.00 0.48 0.00 0.00 55.95 57.22 1jof s SER 125 Cb -0.13 -1.63 -0.05 0.00 0.10 0.00 0.00 66.02 64.31 1jof s SER 125 CO 0.03 -1.23 -0.18 0.68 0.98 0.00 0.00 173.24 173.52 1jof s VAL 126 N -3.12 2.12 1.01 5.02 -7.23 -1.26 -0.50 120.40 116.44 1jof s VAL 126 Ca 0.56 -2.25 -0.16 0.00 -1.81 0.00 0.00 61.98 58.32 1jof s VAL 126 Cb -0.11 -2.14 0.20 0.00 0.56 0.00 0.00 36.38 34.90 1jof s VAL 126 CO 0.46 -0.44 1.22 -0.94 -0.31 0.00 0.00 175.10 175.09 1jof s SER 127 N -3.28 2.69 0.48 4.85 1.04 0.12 -4.79 113.70 114.81 1jof s SER 127 Ca 0.25 0.55 0.32 0.00 0.48 0.00 0.00 55.95 57.55 1jof s SER 127 Cb -0.04 -0.79 1.72 0.00 0.10 0.00 0.00 66.02 67.02 1jof s SER 127 CO 0.11 -3.02 1.99 1.05 0.98 0.00 0.00 173.24 174.34 1jof h GLU 128 N -1.83 0.00 -0.01 4.02 9.09 -2.01 -0.06 114.58 123.77 1jof h GLU 128 Ca -0.46 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.95 1jof h GLU 128 Cb 1.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.38 1jof h GLU 128 CO 0.44 0.00 -0.45 0.25 0.05 0.00 0.00 179.01 179.30 1jof n THR 129 N -2.65 0.00 -0.19 -1.06 -2.24 -1.26 -4.97 114.28 101.91 1jof n THR 129 Ca -0.02 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1jof n THR 129 Cb 0.07 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 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 1.41 0.86 3.77 3.38 0.00 -0.04 -4.90 105.19 109.67 1jof n GLY 130 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.81 4.60 -0.11 1.61 2.20 -1.26 -4.68 119.74 121.29 1jof s LYS 131 Ca 0.00 1.45 -0.30 0.00 -0.36 0.00 0.00 55.97 56.77 1jof s LYS 131 Cb 0.00 -2.93 -0.07 0.00 -1.51 0.00 0.00 37.83 33.32 1jof s LYS 131 CO 0.00 0.27 2.10 1.28 -0.36 0.00 0.00 175.35 178.64 1jof n LEU 132 N 0.78 3.63 -0.04 5.43 4.77 -1.26 -0.71 117.00 129.60 1jof n LEU 132 Ca 0.01 0.55 -0.03 0.00 -0.03 0.00 0.00 56.01 56.51 1jof n LEU 132 Cb 0.49 -1.52 -0.01 0.00 -2.33 0.00 0.00 43.42 40.04 1jof n LEU 132 CO 0.47 -0.27 -0.21 1.21 -1.33 0.00 0.00 177.39 177.26 1jof n GLU 133 N 8.10 0.25 -3.70 3.23 4.07 0.35 -4.86 120.64 128.07 1jof n GLU 133 Ca 0.26 0.36 -0.14 0.00 -0.06 0.00 0.00 57.16 57.58 1jof n GLU 133 Cb 0.41 -1.22 -0.09 0.00 -0.06 0.00 0.00 31.44 30.48 1jof n GLU 133 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 1jof s LYS 134 N -1.71 0.65 -0.66 5.31 2.20 -1.22 -4.97 119.74 119.34 1jof s LYS 134 Ca -0.09 0.36 -0.27 0.00 -0.36 0.00 0.00 55.97 55.61 1jof s LYS 134 Cb 0.01 0.31 0.00 0.00 -1.51 0.00 0.00 37.83 36.64 1jof s LYS 134 CO 0.13 -0.13 1.60 1.21 -0.36 0.00 0.00 175.35 177.80 1jof s ASN 135 N -0.39 5.68 0.05 1.43 3.84 -1.26 -1.44 114.94 122.86 1jof s ASN 135 Ca -0.05 0.01 0.27 0.00 0.21 0.00 0.00 52.86 53.30 1jof s ASN 135 Cb -0.03 -2.54 0.88 0.00 -0.55 0.00 0.00 41.25 39.00 1jof s ASN 135 CO 0.03 -2.12 1.71 1.33 -2.79 0.00 0.00 177.10 175.25 1jof n VAL 136 N 6.85 0.15 -3.62 -5.21 0.24 -0.43 -4.92 118.33 111.39 1jof n VAL 136 Ca 0.13 -0.09 -0.09 0.00 -2.04 0.00 0.00 64.34 62.25 1jof n VAL 136 Cb 0.51 -0.29 -0.07 0.00 -1.47 0.00 0.00 33.84 32.52 1jof n VAL 136 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1jof s GLN 137 N -3.04 0.52 -0.50 7.34 0.74 -1.19 -5.02 119.66 118.51 1jof s GLN 137 Ca 0.12 0.47 0.03 0.00 0.05 0.00 0.00 55.36 56.03 1jof s GLN 137 Cb 0.17 0.25 0.14 0.00 1.10 0.00 0.00 33.01 34.66 1jof s GLN 137 CO 0.61 -0.09 0.28 -0.80 -0.55 0.00 0.00 175.29 174.73 1jof s ASN 138 N -0.11 3.98 0.22 6.67 0.01 -1.26 -0.98 114.94 123.48 1jof s ASN 138 Ca 0.02 -2.94 -0.25 0.00 -0.71 0.00 0.00 52.86 48.98 1jof s ASN 138 Cb -0.04 -1.34 -0.09 0.00 0.41 0.00 0.00 41.25 40.20 1jof s ASN 138 CO -0.05 -0.23 0.83 -0.72 -1.51 0.00 0.00 177.10 175.42 1jof s TYR 139 N -0.12 3.82 0.15 2.20 -0.85 -1.09 -4.80 117.35 116.66 1jof s TYR 139 Ca 0.19 1.66 -0.03 0.00 -0.52 0.00 0.00 57.07 58.37 1jof s TYR 139 Cb -0.22 -2.80 -0.05 0.00 0.38 0.00 0.00 41.96 39.27 1jof s TYR 139 CO -0.02 0.41 0.36 -1.83 -1.52 0.00 0.00 175.55 172.94 1jof s GLU 140 N -1.52 3.57 0.00 -3.49 -1.05 -1.26 -0.34 118.70 114.61 1jof s GLU 140 Ca 0.41 -0.20 0.00 0.00 -0.15 0.00 0.00 54.97 55.03 1jof s GLU 140 Cb -0.21 -2.87 0.00 0.00 -0.44 0.00 0.00 34.13 30.61 1jof s GLU 140 CO 0.26 0.47 0.00 0.66 0.95 0.00 0.00 175.26 177.59 1jof n TYR 141 N -0.08 0.00 -3.77 4.83 4.02 -0.36 -4.95 117.16 116.85 1jof n TYR 141 Ca -0.03 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.75 1jof n TYR 141 Cb 0.52 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.77 1jof n TYR 141 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 1jof s GLN 142 N 1.26 0.79 0.34 -0.72 -2.07 -1.25 -5.03 119.66 112.98 1jof s GLN 142 Ca 0.00 -0.55 0.13 0.00 -1.82 0.00 0.00 55.36 53.12 1jof s GLN 142 Cb 0.00 0.34 1.06 0.00 -1.09 0.00 0.00 33.01 33.32 1jof s GLN 142 CO 0.00 -0.25 1.63 1.05 -1.32 0.00 0.00 175.29 176.40 1jof h GLU 143 N 3.23 0.18 -0.02 9.60 4.11 -1.98 0.68 114.58 130.39 1jof h GLU 143 Ca -0.32 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.07 1jof h GLU 143 Cb 1.20 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1jof h GLU 143 CO 0.47 0.12 -0.14 -0.97 0.07 0.00 0.00 179.01 178.56 1jof h ASN 144 N 0.19 0.03 -2.85 3.06 -1.24 -1.96 -3.39 115.58 109.42 1jof h ASN 144 Ca 0.72 -0.00 -0.58 0.00 0.71 0.00 0.00 56.30 57.14 1jof h ASN 144 Cb 1.68 -0.01 0.18 0.00 0.73 0.00 0.00 38.32 40.90 1jof h ASN 144 CO -0.69 0.17 -0.54 0.41 -1.29 0.00 0.00 177.43 175.50 1jof n THR 145 N -4.36 1.80 -2.79 -3.57 -1.04 0.23 -4.13 114.28 100.43 1jof n THR 145 Ca -0.02 -0.48 -0.08 0.00 -2.04 0.00 0.00 64.05 61.42 1jof n THR 145 Cb 0.22 -0.58 0.03 0.00 -1.82 0.00 0.00 70.33 68.18 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 1.90 0.08 3.73 3.41 0.00 -1.26 -4.36 105.19 108.70 1jof n GLY 146 Ca 0.10 0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 0.62 3.38 -0.08 -0.61 -1.09 -1.26 -1.35 121.20 120.82 1jof s ILE 147 Ca 0.32 1.11 0.01 0.00 -2.23 0.00 0.00 60.65 59.86 1jof s ILE 147 Cb 0.17 -3.71 0.00 0.00 -1.58 0.00 0.00 42.46 37.34 1jof s ILE 147 CO -0.19 0.15 0.36 1.57 -1.23 0.00 0.00 174.94 175.60 1jof n HIS 148 N 2.85 0.00 -3.75 3.97 -0.00 -0.69 -4.75 115.22 112.86 1jof n HIS 148 Ca 0.06 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.25 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 -0.41 -0.26 0.00 1.57 0.00 -1.13 -4.69 107.32 102.40 1jof s GLY 149 Ca 0.01 0.33 0.00 0.00 0.00 0.00 0.00 44.72 45.06 1jof s GLY 149 CO 0.02 1.37 0.00 1.55 0.00 0.00 0.00 173.10 176.03 1jof n VAL 151 N -0.59 0.00 -3.66 1.40 3.14 -0.60 -0.84 118.33 117.18 1jof n VAL 151 Ca -0.05 0.00 -0.24 0.00 -2.96 0.00 0.00 64.34 61.09 1jof n VAL 151 Cb 0.61 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.37 1jof n VAL 151 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 1jof s PHE 152 N -1.72 3.48 0.70 1.45 0.40 -1.26 -0.67 117.98 120.36 1jof s PHE 152 Ca 0.00 0.22 -0.11 0.00 -0.60 0.00 0.00 56.93 56.44 1jof s PHE 152 Cb 0.00 -1.77 0.01 0.00 0.51 0.00 0.00 43.02 41.77 1jof s PHE 152 CO 0.00 0.29 1.09 0.16 0.70 0.00 0.00 175.22 177.47 1jof s ASP 153 N -3.80 5.48 0.59 1.36 1.47 -0.78 -4.88 116.67 116.12 1jof s ASP 153 Ca 0.38 1.16 0.29 0.00 1.18 0.00 0.00 52.55 55.55 1jof s ASP 153 Cb -0.10 -1.97 1.39 0.00 -0.34 0.00 0.00 42.92 41.90 1jof s ASP 153 CO 0.32 -1.32 1.79 -0.65 0.68 0.00 0.00 175.17 175.99 1jof h PRO 154 N -0.64 0.00 0.00 2.11 0.11 -1.85 0.02 132.00 131.75 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 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1jof h PRO 154 CO 0.64 0.00 -0.49 1.15 -0.21 0.00 0.00 178.00 179.09 1jof h THR 155 N 0.00 0.00 -4.08 -1.15 2.02 -1.95 -3.48 112.91 104.27 1jof h THR 155 Ca 0.27 -0.95 -0.23 0.00 0.77 0.00 0.00 66.41 66.27 1jof h THR 155 Cb 1.51 1.69 0.09 0.00 -1.74 0.00 0.00 68.15 69.70 1jof h THR 155 CO -0.00 0.00 -0.44 -0.62 0.37 0.00 0.00 175.52 174.83 1jof n GLU 156 N -2.81 -4.70 -0.01 6.66 1.02 -0.01 -4.91 120.64 115.87 1jof n GLU 156 Ca 0.02 0.52 0.01 0.00 -0.02 0.00 0.00 57.16 57.70 1jof n GLU 156 Cb 0.53 -4.60 -0.06 0.00 -0.02 0.00 0.00 31.44 27.29 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 -3.72 0.17 -4.47 2.62 -1.04 -1.26 -4.77 114.28 101.81 1jof n THR 157 Ca -0.05 -0.23 -0.22 0.00 -2.04 0.00 0.00 64.05 61.51 1jof n THR 157 Cb 0.56 -0.05 -0.16 0.00 -1.82 0.00 0.00 70.33 68.86 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 -2.43 1.16 -0.19 -1.42 1.51 -1.26 -0.51 117.35 114.21 1jof s TYR 158 Ca -0.03 -0.35 -0.03 0.00 -1.01 0.00 0.00 57.07 55.65 1jof s TYR 158 Cb 0.04 -0.85 -0.01 0.00 -0.11 0.00 0.00 41.96 41.03 1jof s TYR 158 CO 0.33 -0.17 -0.06 -1.17 -1.11 0.00 0.00 175.55 173.36 1jof s LEU 159 N 0.40 2.91 -0.15 -1.29 2.96 0.28 -1.86 118.68 121.94 1jof s LEU 159 Ca -0.08 -0.33 -0.04 0.00 -0.22 0.00 0.00 54.13 53.46 1jof s LEU 159 Cb -0.12 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 1jof s LEU 159 CO 0.02 0.05 -0.01 -0.31 -1.32 0.00 0.00 176.35 174.78 1jof s TYR 160 N 1.03 3.10 -0.07 5.38 1.51 0.15 -0.70 117.35 127.76 1jof s TYR 160 Ca 0.00 -0.13 0.05 0.00 -1.01 0.00 0.00 57.07 55.98 1jof s TYR 160 Cb -0.15 -1.96 -0.01 0.00 -0.11 0.00 0.00 41.96 39.74 1jof s TYR 160 CO -0.00 0.09 -0.22 -1.12 -1.11 0.00 0.00 175.55 173.19 1jof s SER 161 N 0.15 3.32 -0.48 2.29 0.01 -0.42 -1.56 113.70 117.01 1jof s SER 161 Ca 0.00 -0.45 -0.20 0.00 1.31 0.00 0.00 55.95 56.62 1jof s SER 161 Cb -0.13 -0.95 0.04 0.00 0.21 0.00 0.00 66.02 65.19 1jof s SER 161 CO 0.02 0.25 0.63 0.00 0.41 0.00 0.00 173.24 174.55 1jof s ALA 162 N -0.17 3.36 -0.64 1.44 0.00 -0.02 -1.26 121.76 124.47 1jof s ALA 162 Ca -0.03 -1.54 -0.18 0.00 0.00 0.00 0.00 51.96 50.21 1jof s ALA 162 Cb -0.14 -3.33 0.12 0.00 0.00 0.00 0.00 23.12 19.77 1jof s ALA 162 CO 0.04 -1.93 0.74 0.34 0.00 0.00 0.00 175.76 174.95 1jof s ASP 163 N 2.42 6.28 0.04 0.00 -1.08 0.42 -1.70 116.67 123.05 1jof s ASP 163 Ca 0.18 -1.61 -0.28 0.00 -0.52 0.00 0.00 52.55 50.32 1jof s ASP 163 Cb -0.17 -2.30 -0.17 0.00 -1.46 0.00 0.00 42.92 38.82 1jof s ASP 163 CO 0.14 -1.06 1.42 0.25 0.52 0.00 0.00 175.17 176.44 1jof h LEU 164 N 9.80 -0.51 -0.54 -1.34 6.46 0.12 -0.15 115.31 129.15 1jof h LEU 164 Ca -0.22 -0.07 -0.09 0.00 -0.12 0.00 0.00 57.88 57.39 1jof h LEU 164 Cb 1.08 0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 41.13 1jof h LEU 164 CO 1.07 -0.23 -0.42 0.71 -0.62 0.00 0.00 178.44 178.95 1jof h THR 165 N -0.78 0.84 -0.01 1.05 1.35 -1.85 -2.84 112.91 110.68 1jof h THR 165 Ca -0.06 -1.80 0.00 0.00 -0.55 0.00 0.00 66.41 64.00 1jof h THR 165 Cb 0.54 2.14 0.00 0.00 -1.73 0.00 0.00 68.15 69.10 1jof h THR 165 CO 0.10 0.41 -0.25 0.00 -0.25 0.00 0.00 175.52 175.53 1jof n ALA 166 N -2.26 3.07 -3.56 6.62 0.00 -1.23 -4.93 120.51 118.23 1jof n ALA 166 Ca 0.01 -0.41 -0.22 0.00 0.00 0.00 0.00 53.44 52.82 1jof n ALA 166 Cb 0.60 -1.12 0.05 0.00 0.00 0.00 0.00 19.45 18.98 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 -0.58 -3.56 -3.79 0.00 5.15 -0.15 -4.93 115.26 107.39 1jof n ASN 167 Ca 0.12 -0.82 -0.09 0.00 -0.60 0.00 0.00 54.58 53.20 1jof n ASN 167 Cb 0.35 -4.29 -0.03 0.00 -0.53 0.00 0.00 39.78 35.28 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 -5.53 1.73 -0.13 1.20 -2.85 -0.68 -1.40 119.74 112.09 1jof s LYS 168 Ca 0.22 -1.21 0.02 0.00 -1.00 0.00 0.00 55.97 54.01 1jof s LYS 168 Cb -0.05 0.54 0.00 0.00 -2.06 0.00 0.00 37.83 36.25 1jof s LYS 168 CO 0.80 -0.76 -0.20 -0.51 0.10 0.00 0.00 175.35 174.78 1jof s LEU 169 N -3.00 2.27 0.12 2.77 1.43 0.87 -0.43 118.68 122.70 1jof s LEU 169 Ca 0.18 -0.52 0.03 0.00 -1.03 0.00 0.00 54.13 52.79 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 0.12 0.15 0.26 0.23 0.00 0.00 176.35 177.20 1jof s TRP 170 N 0.60 3.26 -0.08 0.29 0.52 -0.38 -0.66 118.94 122.49 1jof s TRP 170 Ca -0.11 0.07 0.02 0.00 0.02 0.00 0.00 56.10 56.10 1jof s TRP 170 Cb -0.16 -1.61 0.01 0.00 -1.15 0.00 0.00 33.47 30.56 1jof s TRP 170 CO 0.03 0.53 -0.14 0.99 0.02 0.00 0.00 176.95 178.38 1jof s THR 171 N -1.59 1.31 0.14 2.01 2.01 0.11 -1.30 115.64 118.33 1jof s THR 171 Ca 0.31 -0.56 0.07 0.00 0.31 0.00 0.00 61.69 61.82 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 0.24 0.40 -0.16 -1.00 -0.69 0.00 0.00 174.62 173.41 1jof s HIS 172 N 0.77 1.59 -0.15 4.92 3.76 0.13 -0.96 115.29 125.34 1jof s HIS 172 Ca -0.12 -0.51 -0.06 0.00 -0.15 0.00 0.00 55.06 54.22 1jof s HIS 172 Cb -0.16 -0.82 -0.04 0.00 1.11 0.00 0.00 32.58 32.68 1jof s HIS 172 CO 0.02 0.22 0.06 -0.98 -0.85 0.00 0.00 174.74 173.21 1jof s ARG 173 N -2.63 3.70 -0.30 1.40 3.03 0.10 -0.55 118.95 123.69 1jof s ARG 173 Ca 0.11 -0.33 -0.16 0.00 2.03 0.00 0.00 55.73 57.38 1jof s ARG 173 Cb -0.06 -3.11 -0.02 0.00 -1.03 0.00 0.00 34.95 30.73 1jof s ARG 173 CO 0.04 0.43 0.41 0.21 -1.13 0.00 0.00 175.30 175.27 1jof s LYS 174 N -0.08 3.83 0.83 3.89 2.20 0.33 -1.08 119.74 129.67 1jof s LYS 174 Ca 0.06 -0.08 -0.12 0.00 -0.36 0.00 0.00 55.97 55.48 1jof s LYS 174 Cb -0.12 -3.72 0.09 0.00 -1.51 0.00 0.00 37.83 32.57 1jof s LYS 174 CO 0.01 -0.42 1.11 -0.51 -0.36 0.00 0.00 175.35 175.18 1jof s LEU 175 N 2.15 2.42 0.51 5.43 1.43 0.18 -4.82 118.68 125.97 1jof s LEU 175 Ca 0.16 1.21 0.16 0.00 -1.03 0.00 0.00 54.13 54.63 1jof s LEU 175 Cb -0.16 -3.74 1.23 0.00 0.03 0.00 0.00 46.19 43.56 1jof s LEU 175 CO 0.11 -2.16 2.12 0.00 0.23 0.00 0.00 176.35 176.66 1jof h ALA 176 N -1.22 1.93 0.00 4.21 0.00 -1.98 -0.24 119.26 121.97 1jof h ALA 176 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1jof h ALA 176 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1jof h ALA 176 CO 0.60 0.04 0.00 0.66 0.00 0.00 0.00 179.25 180.55 1jof h SER 177 N 0.00 0.00 0.00 0.00 4.64 -1.98 -3.42 113.55 112.79 1jof h SER 177 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jof h SER 177 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1jof h SER 177 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1jof n GLY 178 N -0.31 2.84 3.82 -0.77 0.00 -0.10 -4.86 105.19 105.81 1jof n GLY 178 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.50 3.03 0.46 1.61 2.02 -1.26 -4.68 118.70 119.38 1jof s GLU 179 Ca 0.00 1.01 0.06 0.00 0.02 0.00 0.00 54.97 56.06 1jof s GLU 179 Cb 0.00 -2.00 -0.02 0.00 0.10 0.00 0.00 34.13 32.21 1jof s GLU 179 CO 0.00 -1.03 0.24 0.14 0.02 0.00 0.00 175.26 174.63 1jof s VAL 180 N -2.92 2.06 -0.18 2.63 -7.23 -1.26 0.48 120.40 113.97 1jof s VAL 180 Ca 0.59 -1.64 -0.12 0.00 -1.81 0.00 0.00 61.98 59.00 1jof s VAL 180 Cb -0.14 -2.69 0.06 0.00 0.56 0.00 0.00 36.38 34.16 1jof s VAL 180 CO 0.51 0.00 0.45 -0.70 -0.31 0.00 0.00 175.10 175.05 1jof s GLU 181 N -4.02 0.47 0.38 4.82 2.12 -0.24 -4.89 118.70 117.33 1jof s GLU 181 Ca 0.36 0.79 -0.28 0.00 0.36 0.00 0.00 54.97 56.20 1jof s GLU 181 Cb 0.01 0.08 -0.11 0.00 0.26 0.00 0.00 34.13 34.38 1jof s GLU 181 CO 0.21 -0.13 1.46 -1.17 -0.54 0.00 0.00 175.26 175.08 1jof s LEU 182 N 1.08 4.31 -0.08 2.70 2.96 -1.26 0.02 118.68 128.40 1jof s LEU 182 Ca -0.07 2.99 -0.03 0.00 -0.22 0.00 0.00 54.13 56.80 1jof s LEU 182 Cb -0.06 -3.70 -0.04 0.00 0.50 0.00 0.00 46.19 42.89 1jof s LEU 182 CO -0.09 -0.86 -0.10 0.52 -1.32 0.00 0.00 176.35 174.49 1jof n VAL 183 N 0.43 0.44 -2.33 1.68 0.31 -0.14 -4.77 118.33 113.94 1jof n VAL 183 Ca 0.01 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1jof n VAL 183 Cb 0.40 -1.49 0.00 0.00 -0.91 0.00 0.00 33.84 31.84 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 2.59 -1.57 3.39 2.92 0.00 -1.02 -5.00 105.19 106.50 1jof n GLY 184 Ca -0.15 -1.08 -0.09 0.00 0.00 0.00 0.00 46.02 44.69 1jof n GLY 184 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jof s SER 185 N -2.65 -0.05 -0.01 1.61 1.04 -1.26 0.06 113.70 112.44 1jof s SER 185 Ca 0.00 -0.75 -0.01 0.00 0.48 0.00 0.00 55.95 55.67 1jof s SER 185 Cb 0.00 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1jof s SER 185 CO 0.00 -0.94 0.03 -0.69 0.98 0.00 0.00 173.24 172.62 1jof s VAL 186 N -3.94 0.00 0.50 5.02 1.01 0.17 -4.95 120.40 118.21 1jof s VAL 186 Ca 0.15 -0.01 -0.20 0.00 0.00 0.00 0.00 61.98 61.92 1jof s VAL 186 Cb 0.02 -0.05 -0.08 0.00 0.00 0.00 0.00 36.38 36.27 1jof s VAL 186 CO -0.01 -0.01 1.05 -1.81 0.00 0.00 0.00 175.10 174.33 1jof s ASP 187 N -0.00 6.21 0.82 3.32 1.01 -1.26 -0.09 116.67 126.67 1jof s ASP 187 Ca -0.00 1.96 -0.12 0.00 0.71 0.00 0.00 52.55 55.09 1jof s ASP 187 Cb -0.00 -2.56 0.09 0.00 1.01 0.00 0.00 42.92 41.46 1jof s ASP 187 CO 0.00 -0.88 1.16 0.00 0.21 0.00 0.00 175.17 175.67 1jof s ALA 188 N -1.99 1.85 0.28 5.23 0.00 -0.49 -4.81 121.76 121.84 1jof s ALA 188 Ca 0.68 0.65 0.02 0.00 0.00 0.00 0.00 51.96 53.31 1jof s ALA 188 Cb -0.17 -3.43 0.60 0.00 0.00 0.00 0.00 23.12 20.12 1jof s ALA 188 CO 0.22 -2.25 1.79 -1.35 0.00 0.00 0.00 175.76 174.18 1jof h PRO 189 N -1.13 0.79 -6.09 0.00 0.11 -1.94 -3.42 132.00 120.32 1jof h PRO 189 Ca -0.45 -0.05 -0.58 0.00 0.11 0.00 0.00 66.00 65.03 1jof h PRO 189 Cb 1.27 -0.18 -0.25 0.00 0.11 0.00 0.00 31.00 31.95 1jof h PRO 189 CO 0.46 0.52 -0.84 0.34 -0.21 0.00 0.00 178.00 178.27 1jof s ASP 190 N -5.52 2.48 0.56 -2.05 -1.08 -1.26 -5.03 116.67 104.77 1jof s ASP 190 Ca -0.12 -0.53 0.25 0.00 -0.52 0.00 0.00 52.55 51.63 1jof s ASP 190 Cb 0.23 -0.20 1.51 0.00 -1.46 0.00 0.00 42.92 43.00 1jof s ASP 190 CO 0.80 0.15 2.08 -0.65 0.52 0.00 0.00 175.17 178.07 1jof h PRO 191 N 4.82 0.00 -0.48 4.34 0.11 -1.97 -1.77 132.00 137.04 1jof h PRO 191 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1jof h PRO 191 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1jof h PRO 191 CO 0.44 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.64 1jof n GLY 192 N -1.50 1.23 0.14 -0.55 0.00 -1.26 -4.53 105.19 98.73 1jof n GLY 192 Ca 0.03 -0.49 -0.05 0.00 0.00 0.00 0.00 46.02 45.51 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 2.56 -0.26 -4.13 1.61 3.32 -1.66 -2.18 116.42 115.68 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 0.69 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.31 1jof h ASP 193 CO 0.04 0.03 -0.32 1.41 -1.72 0.00 0.00 179.24 178.67 1jof n HIS 194 N -4.05 -1.83 -1.70 4.55 8.25 -1.26 -0.79 115.22 118.38 1jof n HIS 194 Ca -0.04 0.76 -0.44 0.00 -0.26 0.00 0.00 57.72 57.75 1jof n HIS 194 Cb 0.12 -2.80 -0.03 0.00 1.12 0.00 0.00 29.99 28.40 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 -0.19 2.51 0.00 -0.41 -0.02 -1.26 -0.80 135.00 134.84 1jof n PRO 195 Ca 0.04 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 1jof n PRO 195 Cb 0.17 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 30.93 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 3.65 2.90 -3.83 -0.52 0.63 -0.43 -1.24 116.66 117.82 1jof n ARG 196 Ca 0.16 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.98 1jof n ARG 196 Cb 0.32 -0.97 -0.09 0.00 0.45 0.00 0.00 32.46 32.18 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 -1.93 0.01 -0.01 -0.14 -0.11 -1.19 -2.83 118.94 112.74 1jof s TRP 197 Ca 0.00 -0.16 -0.01 0.00 1.22 0.00 0.00 56.10 57.15 1jof s TRP 197 Cb 0.00 -0.00 0.01 0.00 -1.50 0.00 0.00 33.47 31.97 1jof s TRP 197 CO 0.00 -0.41 0.04 0.14 -4.62 0.00 0.00 176.95 172.09 1jof s VAL 198 N -2.24 -0.01 0.00 5.86 -7.23 -1.26 -0.03 120.40 115.49 1jof s VAL 198 Ca -0.08 0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.12 1jof s VAL 198 Cb -0.03 -0.06 0.00 0.00 0.56 0.00 0.00 36.38 36.85 1jof s VAL 198 CO -0.02 0.01 0.00 0.00 -0.31 0.00 0.00 175.10 174.78 1jof n ALA 199 N 3.22 0.00 -2.63 1.32 0.00 -0.02 -4.56 120.51 117.85 1jof n ALA 199 Ca -0.14 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.09 1jof n ALA 199 Cb 0.58 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.89 1jof n ALA 199 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1jof s HIS 201 N 0.67 1.05 0.55 0.00 2.46 -0.53 -0.54 115.29 118.97 1jof s HIS 201 Ca 0.00 -0.22 0.31 0.00 0.47 0.00 0.00 55.06 55.62 1jof s HIS 201 Cb 0.00 -0.67 1.47 0.00 -0.13 0.00 0.00 32.58 33.25 1jof s HIS 201 CO 0.00 -0.01 1.88 -1.35 -2.47 0.00 0.00 174.74 172.79 1jof h PRO 202 N 5.72 0.00 0.00 2.88 0.11 -1.92 -0.07 132.00 138.71 1jof h PRO 202 Ca -0.33 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.75 1jof h PRO 202 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1jof h PRO 202 CO 0.48 0.00 -0.16 1.79 -0.21 0.00 0.00 178.00 179.91 1jof h THR 203 N 0.00 0.31 0.00 -1.15 1.35 -1.91 -3.44 112.91 108.07 1jof h THR 203 Ca 0.37 -1.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 1jof h THR 203 Cb 1.59 1.90 0.00 0.00 -1.73 0.00 0.00 68.15 69.91 1jof h THR 203 CO -0.00 0.15 0.00 0.61 -0.25 0.00 0.00 175.52 176.03 1jof n GLY 204 N 0.62 0.76 0.07 5.82 0.00 -0.04 -4.93 105.19 107.49 1jof n GLY 204 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 1jof n GLY 204 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1jof h ASN 205 N 0.00 0.00 -4.31 1.61 2.35 -1.83 -3.43 115.58 109.97 1jof h ASN 205 Ca 0.00 0.00 -0.41 0.00 -0.55 0.00 0.00 56.30 55.34 1jof h ASN 205 Cb 0.00 0.00 -0.20 0.00 0.05 0.00 0.00 38.32 38.17 1jof h ASN 205 CO 0.00 0.98 -0.77 -0.31 -1.65 0.00 0.00 177.43 175.68 1jof s TYR 206 N -2.69 1.28 0.01 1.19 1.51 -1.26 -0.58 117.35 116.81 1jof s TYR 206 Ca -0.00 -0.52 0.03 0.00 -1.01 0.00 0.00 57.07 55.57 1jof s TYR 206 Cb 0.09 -0.70 -0.01 0.00 -0.11 0.00 0.00 41.96 41.23 1jof s TYR 206 CO 0.82 0.08 -0.10 -1.17 -1.11 0.00 0.00 175.55 174.08 1jof s LEU 207 N -2.08 2.09 -0.12 -1.29 0.20 0.04 -1.45 118.68 116.07 1jof s LEU 207 Ca 0.03 -0.29 0.02 0.00 0.69 0.00 0.00 54.13 54.58 1jof s LEU 207 Cb -0.07 -0.45 -0.00 0.00 -0.43 0.00 0.00 46.19 45.24 1jof s LEU 207 CO 0.02 0.05 -0.19 -0.31 -0.29 0.00 0.00 176.35 175.63 1jof s TYR 208 N -0.53 2.69 -0.20 5.38 1.51 0.30 -1.00 117.35 125.51 1jof s TYR 208 Ca 0.01 -0.96 -0.03 0.00 -1.01 0.00 0.00 57.07 55.08 1jof s TYR 208 Cb -0.05 -1.80 -0.01 0.00 -0.11 0.00 0.00 41.96 39.99 1jof s TYR 208 CO 0.00 -0.39 -0.07 0.00 -1.11 0.00 0.00 175.55 173.98 1jof s ALA 209 N 0.49 2.77 0.53 3.71 0.00 -0.39 -0.84 121.76 128.02 1jof s ALA 209 Ca -0.12 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.75 1jof s ALA 209 Cb -0.17 -1.57 0.00 0.00 0.00 0.00 0.00 23.12 21.39 1jof s ALA 209 CO 0.05 -0.24 0.00 -0.11 0.00 0.00 0.00 175.76 175.46 1jof n LEU 210 N 4.43 0.00 0.04 0.00 0.00 0.95 -0.85 117.00 121.57 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 0.00 -0.15 1.21 0.00 0.00 0.00 177.39 178.74 1jof n GLU 212 N 0.00 0.00 0.07 1.96 2.13 0.02 -1.31 120.64 123.52 1jof n GLU 212 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 1jof n GLU 212 Cb 0.00 -0.25 -0.11 0.00 0.27 0.00 0.00 31.44 31.35 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 0.31 0.00 4.31 0.00 -1.14 -0.82 119.26 121.93 1jof h ALA 213 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.02 1jof h ALA 213 Cb 0.31 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1jof h ALA 213 CO 0.00 1.16 0.00 0.41 0.00 0.00 0.00 179.25 180.82 1jof n GLY 214 N 1.35 -1.37 3.83 0.00 0.00 -0.56 -4.90 105.19 103.54 1jof n GLY 214 Ca -0.02 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.47 -4.90 -3.57 1.61 3.02 -1.19 -4.91 115.26 103.85 1jof n ASN 215 Ca 0.07 -1.09 -0.07 0.00 -0.03 0.00 0.00 54.58 53.46 1jof n ASN 215 Cb 0.30 -2.52 -0.02 0.00 -0.61 0.00 0.00 39.78 36.92 1jof n ASN 215 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jof s ARG 216 N -6.30 0.94 -0.16 3.52 1.70 -1.26 -1.69 118.95 115.69 1jof s ARG 216 Ca 0.40 -0.40 -0.06 0.00 -0.47 0.00 0.00 55.73 55.20 1jof s ARG 216 Cb -0.18 0.39 -0.04 0.00 -0.57 0.00 0.00 34.95 34.55 1jof s ARG 216 CO 0.91 -0.42 0.04 0.42 -1.08 0.00 0.00 175.30 175.17 1jof s ILE 217 N -3.19 4.60 -0.08 4.99 -1.09 0.29 -4.50 121.20 122.23 1jof s ILE 217 Ca 0.07 -0.11 0.02 0.00 -2.23 0.00 0.00 60.65 58.40 1jof s ILE 217 Cb -0.01 -3.04 -0.02 0.00 -1.58 0.00 0.00 42.46 37.80 1jof s ILE 217 CO -0.06 0.50 -0.12 0.00 -1.23 0.00 0.00 174.94 174.03 1jof s GLU 219 N -0.40 4.19 -0.04 0.00 2.12 -0.53 -1.26 118.70 122.77 1jof s GLU 219 Ca 0.05 0.41 0.03 0.00 0.36 0.00 0.00 54.97 55.83 1jof s GLU 219 Cb -0.12 -3.36 0.00 0.00 0.26 0.00 0.00 34.13 30.91 1jof s GLU 219 CO 0.02 0.36 -0.14 0.71 -0.54 0.00 0.00 175.26 175.67 1jof s TYR 220 N -0.03 1.50 -0.06 5.30 1.51 -0.17 -2.19 117.35 123.21 1jof s TYR 220 Ca 0.24 -0.45 -0.11 0.00 -1.01 0.00 0.00 57.07 55.74 1jof s TYR 220 Cb -0.16 -1.04 -0.05 0.00 -0.11 0.00 0.00 41.96 40.61 1jof s TYR 220 CO 0.11 -0.18 0.27 0.54 -1.11 0.00 0.00 175.55 175.18 1jof s VAL 221 N 0.21 5.27 -0.35 0.71 0.11 0.10 -0.78 120.40 125.68 1jof s VAL 221 Ca -0.06 0.52 -0.22 0.00 -2.93 0.00 0.00 61.98 59.28 1jof s VAL 221 Cb -0.12 -3.55 0.00 0.00 -1.53 0.00 0.00 36.38 31.18 1jof s VAL 221 CO 0.02 0.60 0.74 -0.63 -3.33 0.00 0.00 175.10 172.50 1jof s ILE 222 N -1.06 4.80 -0.25 7.04 1.01 0.26 -0.43 121.20 132.57 1jof s ILE 222 Ca 0.19 0.87 -0.29 0.00 0.00 0.00 0.00 60.65 61.42 1jof s ILE 222 Cb -0.14 -4.15 -0.03 0.00 0.01 0.00 0.00 42.46 38.15 1jof s ILE 222 CO 0.09 -0.35 1.82 -0.62 0.00 0.00 0.00 174.94 175.88 1jof s ASP 223 N 1.77 6.01 0.59 3.58 -1.08 -1.26 -4.86 116.67 121.42 1jof s ASP 223 Ca 0.29 1.59 0.31 0.00 -0.52 0.00 0.00 52.55 54.22 1jof s ASP 223 Cb -0.14 -2.53 1.85 0.00 -1.46 0.00 0.00 42.92 40.65 1jof s ASP 223 CO 0.15 -1.57 2.25 1.55 0.52 0.00 0.00 175.17 178.08 1jof h PRO 224 N 12.42 0.00 -0.34 4.34 0.13 -1.95 1.23 132.00 147.83 1jof h PRO 224 Ca -0.36 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.69 1jof h PRO 224 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1jof h PRO 224 CO 1.00 0.01 -0.11 0.00 -0.23 0.00 0.00 178.00 178.68 1jof h ALA 225 N 1.99 0.48 0.00 -0.56 0.00 -2.04 -3.35 119.26 115.77 1jof h ALA 225 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1jof h ALA 225 Cb 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1jof h ALA 225 CO 0.00 0.34 -0.83 0.25 0.00 0.00 0.00 179.25 179.01 1jof n THR 226 N -4.39 0.00 -1.91 0.00 -2.24 -0.99 -5.27 114.28 99.48 1jof n THR 226 Ca -0.02 -0.25 -0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1jof n THR 226 Cb 0.36 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 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 -1.46 -0.77 -5.17 4.78 -0.00 0.42 -5.02 115.22 108.00 1jof n HIS 227 Ca 0.00 0.29 -0.30 0.00 -0.00 0.00 0.00 57.72 57.71 1jof n HIS 227 Cb 0.16 -2.24 -0.16 0.00 -0.00 0.00 0.00 29.99 27.74 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 -3.03 2.40 -0.13 -0.41 0.04 -1.26 -4.77 135.00 127.84 1jof s PRO 229 Ca 0.01 -0.84 0.03 0.00 0.04 0.00 0.00 61.00 60.24 1jof s PRO 229 Cb -0.00 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1jof s PRO 229 CO 0.20 0.34 -0.21 0.08 0.04 0.00 0.00 177.00 177.44 1jof s VAL 230 N -0.09 2.23 0.16 -0.36 1.01 0.43 -4.93 120.40 118.86 1jof s VAL 230 Ca -0.04 -0.94 -0.31 0.00 0.00 0.00 0.00 61.98 60.69 1jof s VAL 230 Cb -0.13 -1.89 -0.09 0.00 0.00 0.00 0.00 36.38 34.27 1jof s VAL 230 CO 0.04 0.55 1.44 -0.47 0.00 0.00 0.00 175.10 176.65 1jof s TYR 231 N 0.58 3.15 -1.93 5.22 5.04 -1.26 -0.72 117.35 127.44 1jof s TYR 231 Ca -0.12 0.91 0.26 0.00 -2.44 0.00 0.00 57.07 55.68 1jof s TYR 231 Cb -0.17 -3.77 0.67 0.00 0.35 0.00 0.00 41.96 39.05 1jof s TYR 231 CO 0.03 -2.67 1.52 0.25 -1.34 0.00 0.00 175.55 173.34 1jof n THR 232 N 3.48 0.00 -0.96 4.34 -2.24 -0.93 -4.91 114.28 113.06 1jof n THR 232 Ca 0.11 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1jof n THR 232 Cb 0.41 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 1jof n THR 232 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1jof n HIS 233 N -0.40 0.00 -3.97 4.78 8.25 -1.26 -5.03 115.22 117.59 1jof n HIS 233 Ca 0.13 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.24 1jof n HIS 233 Cb 0.37 -0.08 -0.10 0.00 1.12 0.00 0.00 29.99 31.30 1jof n HIS 233 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1jof s HIS 234 N -2.00 3.21 0.08 4.41 3.76 -1.26 -5.05 115.29 118.44 1jof s HIS 234 Ca 0.00 -0.03 -0.00 0.00 -0.15 0.00 0.00 55.06 54.88 1jof s HIS 234 Cb 0.00 -2.12 -0.04 0.00 1.11 0.00 0.00 32.58 31.53 1jof s HIS 234 CO 0.00 0.04 -0.02 -1.54 -0.85 0.00 0.00 174.74 172.36 1jof s SER 235 N 0.66 0.67 0.01 1.40 1.04 -1.26 -1.46 113.70 114.76 1jof s SER 235 Ca 0.03 -1.05 0.01 0.00 0.48 0.00 0.00 55.95 55.43 1jof s SER 235 Cb -0.13 0.18 -0.01 0.00 0.10 0.00 0.00 66.02 66.17 1jof s SER 235 CO 0.02 -0.59 -0.04 -0.36 0.98 0.00 0.00 173.24 173.25 1jof s PHE 236 N -3.85 0.36 0.41 5.02 0.40 -0.05 -4.94 117.98 115.33 1jof s PHE 236 Ca 0.12 -0.16 -0.25 0.00 -0.60 0.00 0.00 56.93 56.04 1jof s PHE 236 Cb 0.07 -0.23 -0.08 0.00 0.51 0.00 0.00 43.02 43.29 1jof s PHE 236 CO -0.06 -0.03 1.18 -1.25 0.70 0.00 0.00 175.22 175.76 1jof s PRO 237 N -0.42 4.01 0.00 0.24 0.04 -1.26 -0.54 135.00 137.06 1jof s PRO 237 Ca -0.02 1.85 0.08 0.00 0.04 0.00 0.00 61.00 62.95 1jof s PRO 237 Cb -0.03 -2.64 0.08 0.00 0.04 0.00 0.00 34.50 31.94 1jof s PRO 237 CO -0.00 -0.36 0.79 1.28 0.04 0.00 0.00 177.00 178.75 1jof n LEU 238 N -0.00 1.75 -3.95 -3.56 4.32 -0.68 -4.82 117.00 110.06 1jof n LEU 238 Ca 0.05 -1.08 -0.09 0.00 -0.02 0.00 0.00 56.01 54.86 1jof n LEU 238 Cb 0.46 -0.01 -0.10 0.00 -1.62 0.00 0.00 43.42 42.15 1jof n LEU 238 CO 0.51 0.36 -0.26 0.27 -1.22 0.00 0.00 177.39 177.04 1jof s ILE 239 N -0.70 0.12 0.16 -0.08 -4.36 -1.26 -4.59 121.20 110.50 1jof s ILE 239 Ca 0.10 -1.01 -0.34 0.00 -0.26 0.00 0.00 60.65 59.14 1jof s ILE 239 Cb 0.07 -0.64 -0.15 0.00 1.25 0.00 0.00 42.46 42.99 1jof s ILE 239 CO 0.10 -0.55 1.44 -2.65 0.24 0.00 0.00 174.94 173.52 1jof n PRO 240 N 1.13 1.78 -1.72 0.37 -0.02 -1.26 -4.89 135.00 130.39 1jof n PRO 240 Ca -0.21 0.64 -0.43 0.00 -2.02 0.00 0.00 63.50 61.48 1jof n PRO 240 Cb 0.57 -2.33 -0.02 0.00 -0.02 0.00 0.00 33.50 31.70 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 2.75 2.55 0.00 0.52 -0.02 -1.26 -2.03 135.00 137.51 1jof n PRO 241 Ca 0.16 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.55 1jof n PRO 241 Cb 0.26 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.07 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 2.41 2.68 3.71 -1.23 0.00 -1.26 -5.01 105.19 106.49 1jof n GLY 242 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 1.63 -1.68 -0.61 3.06 -0.86 -4.83 119.36 114.06 1jof n ILE 243 Ca 0.00 -0.41 -0.45 0.00 -2.50 0.00 0.00 62.75 59.40 1jof n ILE 243 Cb 0.00 -1.68 -0.04 0.00 0.54 0.00 0.00 39.64 38.47 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 1.10 2.54 -0.69 9.51 -0.02 -1.26 -4.86 135.00 141.31 1jof n PRO 244 Ca 0.06 0.93 0.03 0.00 -2.02 0.00 0.00 63.50 62.49 1jof n PRO 244 Cb 0.36 -2.80 0.04 0.00 -0.02 0.00 0.00 33.50 31.07 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 6.03 0.66 -4.17 2.55 5.75 -1.26 -4.93 116.55 121.18 1jof n ASP 245 Ca 0.20 -2.26 -0.33 0.00 -0.01 0.00 0.00 54.79 52.38 1jof n ASP 245 Cb 0.34 -0.27 -0.16 0.00 -1.03 0.00 0.00 41.12 40.00 1jof n ASP 245 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1jof s ARG 246 N -0.58 3.08 -0.05 0.11 0.52 -1.26 -1.46 118.95 119.31 1jof s ARG 246 Ca 0.15 -0.79 -0.30 0.00 -0.52 0.00 0.00 55.73 54.27 1jof s ARG 246 Cb 0.15 -2.65 -0.05 0.00 0.52 0.00 0.00 34.95 32.93 1jof s ARG 246 CO -0.04 -0.17 1.44 0.34 0.02 0.00 0.00 175.30 176.89 1jof s ASP 247 N 1.25 6.82 0.15 0.23 -1.08 -0.30 -4.87 116.67 118.87 1jof s ASP 247 Ca 0.03 2.05 0.16 0.00 -0.52 0.00 0.00 52.55 54.28 1jof s ASP 247 Cb -0.14 -2.55 0.74 0.00 -1.46 0.00 0.00 42.92 39.52 1jof s ASP 247 CO -0.09 -0.79 1.51 -0.81 0.52 0.00 0.00 175.17 175.51 1jof n PRO 248 N 6.16 0.09 -2.03 4.34 -0.05 -1.26 -0.18 135.00 142.07 1jof n PRO 248 Ca 0.14 0.43 -0.29 0.00 -0.05 0.00 0.00 63.50 63.73 1jof n PRO 248 Cb 0.44 -1.72 0.03 0.00 -0.05 0.00 0.00 33.50 32.20 1jof n PRO 248 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 175.50 175.84 1jof n GLU 249 N -1.90 3.27 0.00 0.54 4.71 -1.26 -4.62 120.64 121.37 1jof n GLU 249 Ca 0.01 -4.03 0.00 0.00 -0.01 0.00 0.00 57.16 53.14 1jof n GLU 249 Cb 0.13 -2.27 0.00 0.00 -1.01 0.00 0.00 31.44 28.29 1jof n GLU 249 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 1jof n THR 250 N -0.65 0.00 0.00 2.62 -1.04 -1.02 -4.98 114.28 109.21 1jof n THR 250 Ca 0.47 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.48 1jof n THR 250 Cb 0.70 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.21 1jof n THR 250 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1jof n GLY 251 N 0.00 0.75 3.81 3.41 0.00 0.75 -4.91 105.19 109.00 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 0.00 3.90 0.48 1.61 0.00 -1.26 -4.54 119.74 119.94 1jof s LYS 252 Ca 0.00 1.23 -0.21 0.00 0.00 0.00 0.00 55.97 56.99 1jof s LYS 252 Cb 0.00 -2.12 -0.10 0.00 0.00 0.00 0.00 37.83 35.61 1jof s LYS 252 CO 0.00 -0.33 0.68 0.41 0.00 0.00 0.00 175.35 176.11 1jof n GLY 253 N -0.58 -1.10 0.05 0.59 0.00 -1.26 -1.15 105.19 101.73 1jof n GLY 253 Ca 0.08 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.20 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 0.68 0.64 -4.20 0.99 4.77 -0.54 -4.64 117.00 114.69 1jof n LEU 254 Ca 0.11 0.07 -0.25 0.00 -0.03 0.00 0.00 56.01 55.92 1jof n LEU 254 Cb 0.43 -0.12 -0.15 0.00 -2.33 0.00 0.00 43.42 41.26 1jof n LEU 254 CO 0.53 -0.00 -0.51 -0.31 -1.33 0.00 0.00 177.39 175.78 1jof s TYR 255 N -3.21 1.65 -0.17 -1.77 1.51 -1.26 -0.37 117.35 113.73 1jof s TYR 255 Ca 0.04 -0.34 -0.03 0.00 -1.01 0.00 0.00 57.07 55.73 1jof s TYR 255 Cb 0.14 -1.02 0.05 0.00 -0.11 0.00 0.00 41.96 41.03 1jof s TYR 255 CO 0.78 0.03 0.04 1.03 -1.11 0.00 0.00 175.55 176.32 1jof s ARG 256 N -0.86 0.58 0.64 -0.62 0.52 -0.37 -4.74 118.95 114.10 1jof s ARG 256 Ca 0.06 -0.30 -0.18 0.00 -0.52 0.00 0.00 55.73 54.79 1jof s ARG 256 Cb -0.08 -1.90 -0.02 0.00 0.52 0.00 0.00 34.95 33.47 1jof s ARG 256 CO 0.01 -0.59 1.21 0.00 0.02 0.00 0.00 175.30 175.95 1jof n ALA 257 N 5.09 0.91 -0.95 2.13 0.00 -0.32 -1.19 120.51 126.18 1jof n ALA 257 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1jof n ALA 257 Cb 0.48 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.66 1jof n ALA 257 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1jof n ASP 258 N -1.60 0.00 -4.13 0.00 2.03 0.77 -4.52 116.55 109.09 1jof n ASP 258 Ca 0.15 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.34 1jof n ASP 258 Cb 0.48 -0.01 -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 -0.05 0.68 -0.00 5.18 1.01 -1.24 -4.65 120.40 121.34 1jof s VAL 259 Ca 0.00 -1.55 0.02 0.00 0.00 0.00 0.00 61.98 60.44 1jof s VAL 259 Cb 0.00 -1.21 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 1jof s VAL 259 CO 0.00 -0.63 -0.06 0.00 0.00 0.00 0.00 175.10 174.42 1jof s ALA 261 N -0.23 -1.23 0.33 0.00 0.00 0.24 -4.70 121.76 116.17 1jof s ALA 261 Ca 0.01 1.25 -0.16 0.00 0.00 0.00 0.00 51.96 53.07 1jof s ALA 261 Cb -0.03 -0.61 -0.09 0.00 0.00 0.00 0.00 23.12 22.39 1jof s ALA 261 CO -0.00 -0.25 0.77 -0.51 0.00 0.00 0.00 175.76 175.76 1jof s LEU 262 N -0.11 4.05 0.79 0.00 1.02 -1.26 -1.13 118.68 122.04 1jof s LEU 262 Ca -0.03 1.34 -0.12 0.00 0.02 0.00 0.00 54.13 55.35 1jof s LEU 262 Cb -0.03 -4.13 0.07 0.00 0.02 0.00 0.00 46.19 42.12 1jof s LEU 262 CO 0.02 -0.22 1.16 0.42 0.02 0.00 0.00 176.35 177.75 1jof s THR 263 N -2.00 2.16 0.22 5.49 -4.23 -0.17 -4.82 115.64 112.29 1jof s THR 263 Ca 0.55 0.03 -0.13 0.00 -1.18 0.00 0.00 61.69 60.96 1jof s THR 263 Cb -0.10 -3.04 0.28 0.00 1.34 0.00 0.00 72.50 70.97 1jof s THR 263 CO 0.17 -0.06 1.61 0.15 -0.54 0.00 0.00 174.62 175.95 1jof h PHE 264 N -0.99 -0.41 0.00 3.99 3.57 -1.79 -0.69 116.94 120.62 1jof h PHE 264 Ca -0.46 0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.08 1jof h PHE 264 Cb 1.32 0.29 -0.00 0.00 2.79 0.00 0.00 35.95 40.35 1jof h PHE 264 CO 0.33 -0.31 -0.12 0.66 -2.23 0.00 0.00 178.31 176.63 1jof h SER 265 N -0.01 0.00 0.00 0.41 4.64 -1.92 -3.46 113.55 113.21 1jof h SER 265 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1jof h SER 265 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1jof h SER 265 CO -0.73 0.12 0.00 0.61 -0.87 0.00 0.00 176.83 175.96 1jof n GLY 266 N 0.01 1.11 0.21 -0.77 0.00 -0.27 -4.89 105.19 100.60 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 3.43 0.00 0.00 1.61 1.57 -1.85 -3.43 116.57 117.90 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 -3.08 0.00 -3.60 -1.35 4.02 -1.26 0.37 117.16 112.27 1jof n TYR 268 Ca 0.04 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.76 1jof n TYR 268 Cb 0.53 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.78 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 -0.49 -0.53 0.12 -0.72 2.99 -0.29 -1.00 117.98 118.06 1jof s PHE 270 Ca 0.00 0.93 -0.11 0.00 0.00 0.00 0.00 56.93 57.76 1jof s PHE 270 Cb 0.00 0.31 0.01 0.00 0.00 0.00 0.00 43.02 43.34 1jof s PHE 270 CO 0.00 -0.53 0.27 0.00 -0.00 0.00 0.00 175.22 174.96 1jof s ALA 271 N -1.10 -0.36 0.25 5.36 0.00 0.02 -0.59 121.76 125.33 1jof s ALA 271 Ca -0.11 -0.53 -0.07 0.00 0.00 0.00 0.00 51.96 51.25 1jof s ALA 271 Cb -0.02 0.62 -0.02 0.00 0.00 0.00 0.00 23.12 23.70 1jof s ALA 271 CO 0.08 -0.58 0.36 -1.54 0.00 0.00 0.00 175.76 174.08 1jof s SER 272 N -2.87 0.18 0.01 0.00 1.04 -0.25 0.74 113.70 112.54 1jof s SER 272 Ca 0.07 -1.19 -0.18 0.00 0.48 0.00 0.00 55.95 55.14 1jof s SER 272 Cb 0.04 0.53 0.03 0.00 0.10 0.00 0.00 66.02 66.72 1jof s SER 272 CO -0.09 -1.06 0.39 -0.94 0.98 0.00 0.00 173.24 172.52 1jof s SER 273 N -3.11 -0.27 0.25 7.02 1.04 -0.35 -0.16 113.70 118.12 1jof s SER 273 Ca 0.30 0.10 0.10 0.00 0.48 0.00 0.00 55.95 56.93 1jof s SER 273 Cb 0.02 0.38 -0.05 0.00 0.10 0.00 0.00 66.02 66.48 1jof s SER 273 CO 0.12 -0.56 -0.09 0.00 0.98 0.00 0.00 173.24 173.69 1jof s ARG 274 N -1.84 2.02 0.10 4.02 1.70 -0.33 -0.90 118.95 123.73 1jof s ARG 274 Ca -0.09 -1.51 -0.01 0.00 -0.47 0.00 0.00 55.73 53.65 1jof s ARG 274 Cb -0.03 -2.02 -0.04 0.00 -0.57 0.00 0.00 34.95 32.29 1jof s ARG 274 CO 0.02 0.37 0.27 0.00 -1.08 0.00 0.00 175.30 174.88 1jof s ALA 275 N -2.25 3.94 -2.14 7.88 0.00 -0.10 -1.23 121.76 127.85 1jof s ALA 275 Ca 0.29 -0.82 0.29 0.00 0.00 0.00 0.00 51.96 51.73 1jof s ALA 275 Cb -0.06 -1.90 1.28 0.00 0.00 0.00 0.00 23.12 22.44 1jof s ALA 275 CO 0.17 0.71 1.88 0.09 0.00 0.00 0.00 175.76 178.61 1jof n ASN 276 N 0.02 0.87 -4.11 0.00 3.02 0.50 -4.46 115.26 111.09 1jof n ASN 276 Ca -0.05 -1.14 -0.22 0.00 -0.03 0.00 0.00 54.58 53.14 1jof n ASN 276 Cb 0.52 -0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.54 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 -2.13 1.13 0.57 3.52 1.02 -1.26 -5.04 119.74 117.54 1jof s LYS 277 Ca 0.38 -0.52 0.31 0.00 0.02 0.00 0.00 55.97 56.16 1jof s LYS 277 Cb 0.21 -1.10 1.70 0.00 -0.52 0.00 0.00 37.83 38.13 1jof s LYS 277 CO 0.39 0.30 2.17 0.74 -0.92 0.00 0.00 175.35 178.02 1jof h PHE 278 N 5.75 0.00 -0.00 3.18 -1.00 -1.98 -1.86 116.94 121.02 1jof h PHE 278 Ca -0.34 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.44 1jof h PHE 278 Cb 1.16 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.72 1jof h PHE 278 CO 0.41 0.06 -0.10 -0.85 -1.61 0.00 0.00 178.31 176.22 1jof n GLU 279 N -3.58 0.57 -3.93 1.51 0.00 -1.26 -4.53 120.64 109.42 1jof n GLU 279 Ca -0.02 -0.16 -0.26 0.00 0.00 0.00 0.00 57.16 56.71 1jof n GLU 279 Cb 0.17 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.08 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 -2.54 4.33 0.10 -1.84 1.43 -0.70 -5.05 118.68 114.41 1jof s LEU 280 Ca 0.27 0.19 -0.10 0.00 -1.03 0.00 0.00 54.13 53.46 1jof s LEU 280 Cb 0.20 -2.93 -0.06 0.00 0.03 0.00 0.00 46.19 43.43 1jof s LEU 280 CO 0.48 0.04 0.43 -1.10 0.23 0.00 0.00 176.35 176.44 1jof s GLN 281 N -3.25 3.79 0.54 1.70 -0.21 -1.26 -3.15 119.66 117.82 1jof s GLN 281 Ca 0.35 0.22 -0.04 0.00 0.02 0.00 0.00 55.36 55.91 1jof s GLN 281 Cb -0.11 -2.96 0.11 0.00 1.00 0.00 0.00 33.01 31.06 1jof s GLN 281 CO 0.29 0.53 0.73 0.41 -2.12 0.00 0.00 175.29 175.13 1jof n GLY 282 N 0.78 -0.09 3.09 3.09 0.00 -0.22 -4.51 105.19 107.32 1jof n GLY 282 Ca -0.07 -1.89 -0.08 0.00 0.00 0.00 0.00 46.02 43.98 1jof n GLY 282 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jof s TYR 283 N -2.30 0.56 -0.03 1.61 1.51 -0.07 -1.08 117.35 117.55 1jof s TYR 283 Ca 0.46 -0.93 0.03 0.00 -1.01 0.00 0.00 57.07 55.61 1jof s TYR 283 Cb -0.02 -0.38 0.00 0.00 -0.11 0.00 0.00 41.96 41.45 1jof s TYR 283 CO 0.31 -0.30 -0.11 -1.50 -1.11 0.00 0.00 175.55 172.84 1jof s ILE 284 N -3.38 0.92 0.14 2.71 2.07 -0.06 -1.22 121.20 122.39 1jof s ILE 284 Ca 0.04 -0.45 0.06 0.00 -1.41 0.00 0.00 60.65 58.89 1jof s ILE 284 Cb 0.04 -0.81 -0.04 0.00 0.13 0.00 0.00 42.46 41.78 1jof s ILE 284 CO -0.07 0.28 -0.14 0.00 -1.91 0.00 0.00 174.94 173.09 1jof s ALA 285 N 0.09 1.65 0.01 1.50 0.00 0.23 -1.29 121.76 123.95 1jof s ALA 285 Ca -0.02 -1.40 0.04 0.00 0.00 0.00 0.00 51.96 50.57 1jof s ALA 285 Cb -0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 1jof s ALA 285 CO 0.01 0.09 -0.11 0.20 0.00 0.00 0.00 175.76 175.95 1jof s GLY 286 N -2.70 0.59 0.07 0.00 0.00 -0.80 -0.80 107.32 103.67 1jof s GLY 286 Ca 0.13 -0.59 0.04 0.00 0.00 0.00 0.00 44.72 44.30 1jof s GLY 286 CO 0.04 -0.54 -0.12 -1.36 0.00 0.00 0.00 173.10 171.12 1jof s PHE 287 N -0.54 1.03 -0.12 1.90 0.40 -1.26 -0.11 117.98 119.28 1jof s PHE 287 Ca 0.02 -0.49 -0.04 0.00 -0.60 0.00 0.00 56.93 55.82 1jof s PHE 287 Cb -0.06 -0.59 -0.03 0.00 0.51 0.00 0.00 43.02 42.85 1jof s PHE 287 CO 0.00 0.01 0.02 0.21 0.70 0.00 0.00 175.22 176.16 1jof s LYS 288 N -1.82 3.30 -0.13 0.44 2.20 -0.59 -4.27 119.74 118.88 1jof s LYS 288 Ca -0.04 -0.39 -0.01 0.00 -0.36 0.00 0.00 55.97 55.18 1jof s LYS 288 Cb -0.09 -2.92 -0.02 0.00 -1.51 0.00 0.00 37.83 33.29 1jof s LYS 288 CO 0.01 0.56 -0.11 -0.51 -0.36 0.00 0.00 175.35 174.95 1jof s LEU 289 N -0.48 2.86 0.90 5.43 1.43 0.16 -0.35 118.68 128.63 1jof s LEU 289 Ca 0.09 -0.27 -0.11 0.00 -1.03 0.00 0.00 54.13 52.81 1jof s LEU 289 Cb -0.12 -1.65 0.14 0.00 0.03 0.00 0.00 46.19 44.58 1jof s LEU 289 CO 0.02 0.18 1.11 -0.13 0.23 0.00 0.00 176.35 177.76 1jof s ARG 290 N 0.28 1.14 0.43 1.70 0.52 0.03 -4.75 118.95 118.30 1jof s ARG 290 Ca -0.08 1.25 0.09 0.00 -0.52 0.00 0.00 55.73 56.47 1jof s ARG 290 Cb -0.15 -1.76 0.93 0.00 0.52 0.00 0.00 34.95 34.48 1jof s ARG 290 CO 0.05 -2.45 2.06 -0.44 0.02 0.00 0.00 175.30 174.54 1jof h ASP 291 N -1.72 0.36 1.07 0.23 3.32 -1.96 -1.57 116.42 116.15 1jof h ASP 291 Ca -0.46 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1jof h ASP 291 Cb 1.27 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1jof h ASP 291 CO 0.47 0.28 0.00 0.00 -1.72 0.00 0.00 179.24 178.27 1jof n GLY 293 N 0.60 2.35 3.75 0.00 0.00 -0.59 -4.60 105.19 106.69 1jof n GLY 293 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.78 4.24 -0.28 1.61 1.04 -1.26 -4.67 113.70 112.60 1jof s SER 294 Ca 0.00 1.95 -0.25 0.00 0.48 0.00 0.00 55.95 58.14 1jof s SER 294 Cb 0.00 -2.54 -0.00 0.00 0.10 0.00 0.00 66.02 63.58 1jof s SER 294 CO 0.00 -2.22 0.84 -0.63 0.98 0.00 0.00 173.24 172.21 1jof s ILE 295 N -2.73 4.79 -0.03 -1.02 1.01 -1.26 -0.79 121.20 121.18 1jof s ILE 295 Ca 0.64 1.43 -0.25 0.00 0.00 0.00 0.00 60.65 62.47 1jof s ILE 295 Cb -0.19 -4.16 -0.20 0.00 0.01 0.00 0.00 42.46 37.91 1jof s ILE 295 CO 0.54 -0.18 1.18 -0.08 0.00 0.00 0.00 174.94 176.39 1jof h GLU 296 N 7.90 0.12 -2.19 2.79 4.81 -1.03 -3.47 114.58 123.52 1jof h GLU 296 Ca -0.23 -0.09 0.15 0.00 -0.13 0.00 0.00 59.36 59.06 1jof h GLU 296 Cb 1.09 0.01 -0.13 0.00 0.63 0.00 0.00 28.75 30.35 1jof h GLU 296 CO 0.89 0.70 0.53 -1.59 -0.73 0.00 0.00 179.01 178.82 1jof s LYS 297 N -3.79 0.86 -0.28 1.92 -2.85 -1.20 -5.01 119.74 109.39 1jof s LYS 297 Ca -0.16 -0.38 -0.18 0.00 -1.00 0.00 0.00 55.97 54.25 1jof s LYS 297 Cb 0.02 0.36 -0.02 0.00 -2.06 0.00 0.00 37.83 36.12 1jof s LYS 297 CO 0.71 -0.38 0.50 -1.14 0.10 0.00 0.00 175.35 175.14 1jof s GLN 298 N -3.08 3.99 0.10 1.78 0.74 -1.26 -1.54 119.66 120.39 1jof s GLN 298 Ca 0.08 0.21 -0.00 0.00 0.05 0.00 0.00 55.36 55.70 1jof s GLN 298 Cb -0.01 -3.68 -0.22 0.00 1.10 0.00 0.00 33.01 30.20 1jof s GLN 298 CO -0.05 -0.40 1.22 -0.07 -0.55 0.00 0.00 175.29 175.44 1jof h LEU 299 N 8.83 0.28 -7.15 3.68 3.38 -0.85 -3.49 115.31 119.99 1jof h LEU 299 Ca -0.29 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 57.45 1jof h LEU 299 Cb 1.14 -0.09 -0.12 0.00 0.09 0.00 0.00 40.66 41.68 1jof h LEU 299 CO 0.72 1.20 0.35 0.72 0.09 0.00 0.00 178.44 181.52 1jof s PHE 300 N -2.76 -0.39 -0.25 1.13 -0.12 -1.17 -4.96 117.98 109.46 1jof s PHE 300 Ca -0.02 0.18 -0.02 0.00 -0.05 0.00 0.00 56.93 57.01 1jof s PHE 300 Cb 0.08 0.57 0.12 0.00 -0.63 0.00 0.00 43.02 43.17 1jof s PHE 300 CO 0.86 -0.76 0.29 -1.17 -0.05 0.00 0.00 175.22 174.38 1jof s LEU 301 N -2.68 -0.29 0.07 -1.99 2.96 -1.26 -1.90 118.68 113.59 1jof s LEU 301 Ca 0.05 -0.35 0.04 0.00 -0.22 0.00 0.00 54.13 53.64 1jof s LEU 301 Cb -0.01 0.61 -0.03 0.00 0.50 0.00 0.00 46.19 47.25 1jof s LEU 301 CO -0.08 -0.35 -0.12 -0.44 -1.32 0.00 0.00 176.35 174.04 1jof s SER 302 N 2.39 1.46 0.45 3.68 0.01 -0.41 -4.97 113.70 116.31 1jof s SER 302 Ca 0.09 -0.61 -0.25 0.00 1.31 0.00 0.00 55.95 56.49 1jof s SER 302 Cb -0.15 -0.02 -0.08 0.00 0.21 0.00 0.00 66.02 65.98 1jof s SER 302 CO -0.22 -0.12 1.33 -2.84 0.41 0.00 0.00 173.24 171.80 1jof s PRO 303 N -1.78 3.71 0.47 12.44 0.02 -1.26 -0.88 135.00 147.72 1jof s PRO 303 Ca -0.03 2.20 0.03 0.00 0.02 0.00 0.00 61.00 63.22 1jof s PRO 303 Cb -0.10 -2.60 0.01 0.00 0.02 0.00 0.00 34.50 31.84 1jof s PRO 303 CO 0.02 -0.72 0.66 0.95 -0.33 0.00 0.00 177.00 177.58 1jof s THR 304 N -1.28 3.25 0.26 0.99 -4.23 -0.24 -4.79 115.64 109.59 1jof s THR 304 Ca 0.61 -0.75 -0.04 0.00 -1.18 0.00 0.00 61.69 60.33 1jof s THR 304 Cb -0.39 -3.17 0.20 0.00 1.34 0.00 0.00 72.50 70.48 1jof s THR 304 CO 0.49 -0.10 1.87 -0.65 -0.54 0.00 0.00 174.62 175.69 1jof h PRO 305 N 0.39 1.08 0.00 3.99 0.11 -1.96 -3.39 132.00 132.21 1jof h PRO 305 Ca -0.43 -0.15 -0.38 0.00 0.11 0.00 0.00 66.00 65.15 1jof h PRO 305 Cb 1.28 -0.20 -0.07 0.00 0.11 0.00 0.00 31.00 32.11 1jof h PRO 305 CO 0.52 0.82 -0.28 0.25 -0.21 0.00 0.00 178.00 179.11 1jof n THR 306 N -4.33 0.00 0.50 -1.15 -2.24 -1.26 -4.93 114.28 100.87 1jof n THR 306 Ca 0.07 -1.38 0.11 0.00 -2.27 0.00 0.00 64.05 60.58 1jof n THR 306 Cb 0.13 0.27 0.45 0.00 -2.10 0.00 0.00 70.33 69.08 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 -1.18 0.51 0.00 3.42 3.41 -1.19 -1.06 113.62 117.53 1jof n SER 307 Ca -0.12 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 1jof n SER 307 Cb 0.37 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 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 0.32 3.17 7.00 5.00 0.00 -1.26 -0.93 105.19 118.50 1jof n GLY 308 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1jof n GLY 308 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jof n GLY 309 N -2.00 2.79 0.23 -0.02 0.00 -1.26 -1.00 105.19 103.92 1jof n GLY 309 Ca 0.00 -0.26 0.14 0.00 0.00 0.00 0.00 46.02 45.90 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 13.51 0.00 0.00 1.61 8.25 -1.26 -4.71 115.22 132.62 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 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.01 1jof n HIS 310 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1jof n SER 311 N -0.60 0.00 -0.43 0.41 2.88 -0.17 -4.95 113.62 110.75 1jof n SER 311 Ca 0.16 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.65 1jof n SER 311 Cb 0.29 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.74 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 -3.21 -4.71 -3.46 5.15 0.72 -4.66 115.26 105.08 1jof n ASN 312 Ca 0.00 0.09 -0.42 0.00 -0.60 0.00 0.00 54.58 53.65 1jof n ASN 312 Cb 0.00 -1.54 -0.03 0.00 -0.53 0.00 0.00 39.78 37.68 1jof n ASN 312 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1jof s ALA 313 N -2.20 3.62 -0.06 5.20 0.00 -1.19 -4.72 121.76 122.41 1jof s ALA 313 Ca 0.00 1.14 -0.10 0.00 0.00 0.00 0.00 51.96 53.00 1jof s ALA 313 Cb 0.00 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.51 1jof s ALA 313 CO 0.00 -0.70 0.26 0.14 0.00 0.00 0.00 175.76 175.47 1jof s VAL 314 N 1.34 5.29 -0.32 0.00 -7.23 -1.26 -2.59 120.40 115.63 1jof s VAL 314 Ca 0.66 0.48 -0.02 0.00 -1.81 0.00 0.00 61.98 61.29 1jof s VAL 314 Cb -0.37 -3.55 0.11 0.00 0.56 0.00 0.00 36.38 33.13 1jof s VAL 314 CO 0.30 0.58 0.14 -0.55 -0.31 0.00 0.00 175.10 175.26 1jof s SER 315 N -1.10 3.68 0.45 4.85 0.15 0.21 -4.85 113.70 117.10 1jof s SER 315 Ca 0.20 -1.67 -0.24 0.00 0.70 0.00 0.00 55.95 54.94 1jof s SER 315 Cb -0.14 -0.63 -0.07 0.00 -1.71 0.00 0.00 66.02 63.47 1jof s SER 315 CO 0.09 -0.40 1.22 -2.84 1.20 0.00 0.00 173.24 172.51 1jof s PRO 316 N 1.61 3.75 0.12 5.44 0.02 -1.26 -0.99 135.00 143.70 1jof s PRO 316 Ca 0.11 1.92 -0.31 0.00 0.02 0.00 0.00 61.00 62.74 1jof s PRO 316 Cb -0.18 -2.49 -0.10 0.00 0.02 0.00 0.00 34.50 31.75 1jof s PRO 316 CO -0.24 -0.60 1.74 0.00 -0.33 0.00 0.00 177.00 177.57 1jof h PRO 318 N 8.15 0.00 -0.01 0.00 0.11 -1.91 -3.12 132.00 135.21 1jof h PRO 318 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1jof h PRO 318 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1jof h PRO 318 CO 0.94 0.01 -0.02 0.91 -0.21 0.00 0.00 178.00 179.62 1jof n TRP 319 N -3.13 0.00 -3.65 0.65 8.01 -1.26 -4.57 117.44 113.49 1jof n TRP 319 Ca -0.02 0.00 -0.13 0.00 -1.31 0.00 0.00 57.50 56.04 1jof n TRP 319 Cb 0.15 0.00 -0.08 0.00 -2.01 0.00 0.00 31.31 29.38 1jof n TRP 319 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 1jof s SER 320 N -1.05 -0.71 0.52 -0.99 0.15 -1.18 -4.98 113.70 105.46 1jof s SER 320 Ca 0.14 1.33 0.29 0.00 0.70 0.00 0.00 55.95 58.41 1jof s SER 320 Cb 0.10 1.33 1.34 0.00 -1.71 0.00 0.00 66.02 67.08 1jof s SER 320 CO 0.16 -0.23 2.00 0.44 1.20 0.00 0.00 173.24 176.81 1jof h ASP 321 N 5.35 0.00 -0.44 5.45 5.19 -1.95 -3.34 116.42 126.68 1jof h ASP 321 Ca -0.29 0.00 0.11 0.00 -0.62 0.00 0.00 57.03 56.23 1jof h ASP 321 Cb 1.17 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.66 1jof h ASP 321 CO 0.10 0.11 0.31 -0.08 -3.12 0.00 0.00 179.24 176.57 1jof h GLU 322 N 0.00 0.10 0.00 3.56 4.81 -1.93 -3.40 114.58 117.73 1jof h GLU 322 Ca -0.00 -0.01 -0.23 0.00 -0.13 0.00 0.00 59.36 58.99 1jof h GLU 322 Cb 0.49 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.80 1jof h GLU 322 CO 0.01 0.07 -0.17 0.91 -0.73 0.00 0.00 179.01 179.10 1jof n TRP 323 N -4.44 0.36 -3.63 0.92 7.02 -1.25 -0.75 117.44 115.67 1jof n TRP 323 Ca 0.07 -0.91 -0.13 0.00 -1.02 0.00 0.00 57.50 55.51 1jof n TRP 323 Cb 0.44 -0.10 -0.06 0.00 -2.42 0.00 0.00 31.31 29.18 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 -2.33 -1.12 -0.06 6.99 0.00 -0.16 -1.29 121.76 123.80 1jof s ALA 325 Ca 0.01 0.37 -0.08 0.00 0.00 0.00 0.00 51.96 52.26 1jof s ALA 325 Cb 0.00 0.41 0.02 0.00 0.00 0.00 0.00 23.12 23.54 1jof s ALA 325 CO 0.01 -0.50 0.22 -1.50 0.00 0.00 0.00 175.76 173.99 1jof s ILE 326 N -2.63 0.02 0.14 0.00 2.07 -0.75 0.65 121.20 120.70 1jof s ILE 326 Ca -0.04 -0.21 0.08 0.00 -1.41 0.00 0.00 60.65 59.08 1jof s ILE 326 Cb -0.00 -0.38 -0.04 0.00 0.13 0.00 0.00 42.46 42.17 1jof s ILE 326 CO -0.03 -0.11 -0.20 0.42 -1.91 0.00 0.00 174.94 173.11 1jof s THR 327 N -0.37 1.79 0.03 4.00 -4.23 -1.07 -1.38 115.64 114.40 1jof s THR 327 Ca -0.05 -1.76 -0.02 0.00 -1.18 0.00 0.00 61.69 58.68 1jof s THR 327 Cb -0.03 -1.73 -0.02 0.00 1.34 0.00 0.00 72.50 72.06 1jof s THR 327 CO 0.01 -0.20 0.01 1.51 -0.54 0.00 0.00 174.62 175.42 1jof s ASP 328 N -2.33 0.25 -0.20 3.99 -4.77 -1.08 -0.20 116.67 112.33 1jof s ASP 328 Ca 0.12 -0.56 0.13 0.00 -3.30 0.00 0.00 52.55 48.94 1jof s ASP 328 Cb -0.08 0.15 0.40 0.00 -1.09 0.00 0.00 42.92 42.31 1jof s ASP 328 CO 0.06 -0.40 1.24 -0.90 0.70 0.00 0.00 175.17 175.87 1jof n ASP 329 N 1.16 2.08 -0.09 2.11 5.75 -1.16 -3.31 116.55 123.09 1jof n ASP 329 Ca -0.21 -3.63 -0.14 0.00 -0.01 0.00 0.00 54.79 50.80 1jof n ASP 329 Cb 0.57 -0.52 -0.08 0.00 -1.03 0.00 0.00 41.12 40.06 1jof n ASP 329 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 1jof h GLN 330 N 0.76 0.00 0.00 0.11 4.15 -1.82 -3.42 115.11 114.89 1jof h GLN 330 Ca 0.03 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.34 1jof h GLN 330 Cb 1.10 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.77 1jof h GLN 330 CO 0.06 0.64 -1.65 0.39 -1.93 0.00 0.00 178.83 176.33 1jof n GLU 331 N -4.54 1.36 -0.41 1.69 1.02 -1.26 -5.05 120.64 113.45 1jof n GLU 331 Ca -0.19 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 56.89 1jof n GLU 331 Cb 0.48 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.62 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 2.10 0.98 3.87 0.62 0.00 -1.21 -4.70 105.19 106.84 1jof n GLY 332 Ca -0.11 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.14 3.40 -0.23 1.61 0.52 -1.23 -0.33 118.94 120.53 1jof s TRP 333 Ca 0.00 0.18 -0.00 0.00 0.02 0.00 0.00 56.10 56.30 1jof s TRP 333 Cb 0.00 -1.71 0.03 0.00 -1.15 0.00 0.00 33.47 30.64 1jof s TRP 333 CO 0.00 0.56 -0.11 -1.17 0.02 0.00 0.00 176.95 176.26 1jof s LEU 334 N -2.47 2.97 0.12 2.99 1.98 -0.41 -2.64 118.68 121.22 1jof s LEU 334 Ca 0.33 -0.92 0.07 0.00 -2.89 0.00 0.00 54.13 50.72 1jof s LEU 334 Cb -0.13 -1.59 -0.04 0.00 0.66 0.00 0.00 46.19 45.09 1jof s LEU 334 CO 0.26 -0.11 -0.09 -1.61 -1.89 0.00 0.00 176.35 172.91 1jof s GLU 335 N 1.27 2.14 -0.11 1.98 2.02 -0.48 -1.45 118.70 124.06 1jof s GLU 335 Ca -0.00 -1.07 0.01 0.00 0.02 0.00 0.00 54.97 53.93 1jof s GLU 335 Cb -0.16 -2.29 0.02 0.00 0.10 0.00 0.00 34.13 31.79 1jof s GLU 335 CO -0.07 0.49 -0.14 0.42 0.02 0.00 0.00 175.26 175.99 1jof s ILE 336 N -1.32 1.40 0.25 -1.63 1.01 0.64 -1.80 121.20 119.74 1jof s ILE 336 Ca 0.22 -0.57 0.09 0.00 0.00 0.00 0.00 60.65 60.39 1jof s ILE 336 Cb -0.11 -1.30 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 1jof s ILE 336 CO 0.14 0.42 0.04 -0.31 0.00 0.00 0.00 174.94 175.23 1jof s TYR 337 N 1.15 2.81 -0.07 3.97 1.51 -1.26 -0.97 117.35 124.48 1jof s TYR 337 Ca -0.04 -0.18 0.01 0.00 -1.01 0.00 0.00 57.07 55.85 1jof s TYR 337 Cb -0.14 -1.27 -0.03 0.00 -0.11 0.00 0.00 41.96 40.41 1jof s TYR 337 CO -0.04 0.58 -0.10 0.50 -1.11 0.00 0.00 175.55 175.39 1jof s ARG 338 N -3.57 2.77 -0.35 -0.62 3.52 0.19 -4.32 118.95 116.57 1jof s ARG 338 Ca 0.31 -0.61 -0.07 0.00 -0.13 0.00 0.00 55.73 55.23 1jof s ARG 338 Cb -0.07 -2.54 0.04 0.00 -1.56 0.00 0.00 34.95 30.82 1jof s ARG 338 CO 0.21 0.59 0.14 -0.46 -0.81 0.00 0.00 175.30 174.96 1jof s TRP 339 N -0.62 3.26 -0.03 5.12 -0.00 0.07 -1.72 118.94 125.02 1jof s TRP 339 Ca 0.09 -1.35 -0.00 0.00 -0.00 0.00 0.00 56.10 54.84 1jof s TRP 339 Cb -0.11 -2.37 0.03 0.00 -0.00 0.00 0.00 33.47 31.01 1jof s TRP 339 CO 0.02 -0.73 0.01 0.21 -0.00 0.00 0.00 176.95 176.46 1jof s LYS 340 N 1.43 0.21 -1.59 5.86 2.47 -0.58 -4.52 119.74 123.02 1jof s LYS 340 Ca -0.00 0.14 -0.13 0.00 -1.56 0.00 0.00 55.97 54.42 1jof s LYS 340 Cb -0.20 -0.49 0.10 0.00 -1.46 0.00 0.00 37.83 35.79 1jof s LYS 340 CO 0.03 -0.18 0.76 -0.25 0.16 0.00 0.00 175.35 175.87 1jof n ASP 341 N 4.40 -3.01 -3.26 1.43 8.00 -1.26 -1.50 116.55 121.35 1jof n ASP 341 Ca -0.22 -0.95 -0.24 0.00 0.71 0.00 0.00 54.79 54.10 1jof n ASP 341 Cb 0.50 -3.14 0.02 0.00 -0.02 0.00 0.00 41.12 38.49 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 -4.46 -4.67 -4.11 -1.24 1.02 -1.26 -4.99 120.64 100.92 1jof n GLU 342 Ca -0.02 0.73 -0.14 0.00 -0.02 0.00 0.00 57.16 57.70 1jof n GLU 342 Cb 0.55 -5.56 -0.13 0.00 -0.02 0.00 0.00 31.44 26.28 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 -3.11 0.51 -0.13 -0.32 0.40 -0.56 -4.99 117.98 109.78 1jof s PHE 343 Ca 0.39 -0.23 -0.04 0.00 -0.60 0.00 0.00 56.93 56.44 1jof s PHE 343 Cb -0.19 -0.32 -0.04 0.00 0.51 0.00 0.00 43.02 42.99 1jof s PHE 343 CO 0.48 -0.04 0.04 -1.17 0.70 0.00 0.00 175.22 175.23 1jof s LEU 344 N -0.64 3.74 -0.06 -0.37 2.96 -1.26 -1.53 118.68 121.52 1jof s LEU 344 Ca -0.03 0.15 -0.04 0.00 -0.22 0.00 0.00 54.13 53.99 1jof s LEU 344 Cb -0.05 -1.90 0.03 0.00 0.50 0.00 0.00 46.19 44.77 1jof s LEU 344 CO -0.00 0.30 0.15 -1.38 -1.32 0.00 0.00 176.35 174.10 1jof s HIS 345 N -0.42 -0.17 0.29 5.38 -3.43 -0.70 -4.97 115.29 111.27 1jof s HIS 345 Ca 0.09 0.45 -0.29 0.00 -0.80 0.00 0.00 55.06 54.50 1jof s HIS 345 Cb -0.12 -0.01 -0.10 0.00 -1.43 0.00 0.00 32.58 30.92 1jof s HIS 345 CO 0.02 -0.13 1.28 0.50 -2.00 0.00 0.00 174.74 174.41 1jof s ARG 346 N 0.67 4.41 0.00 -0.38 3.52 -1.26 -0.63 118.95 125.28 1jof s ARG 346 Ca -0.05 2.12 0.00 0.00 -0.13 0.00 0.00 55.73 57.67 1jof s ARG 346 Cb -0.07 -3.12 0.00 0.00 -1.56 0.00 0.00 34.95 30.20 1jof s ARG 346 CO -0.03 -0.14 0.00 1.33 -0.81 0.00 0.00 175.30 175.64 1jof n VAL 347 N 1.34 0.00 -3.48 7.11 0.24 -0.15 -4.88 118.33 118.51 1jof n VAL 347 Ca 0.01 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.21 1jof n VAL 347 Cb 0.42 0.25 -0.02 0.00 -1.47 0.00 0.00 33.84 33.02 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 -1.66 -1.74 -0.11 2.33 0.00 -1.13 -4.65 121.76 114.79 1jof s ALA 348 Ca 0.00 0.85 -0.31 0.00 0.00 0.00 0.00 51.96 52.50 1jof s ALA 348 Cb 0.00 0.55 0.12 0.00 0.00 0.00 0.00 23.12 23.79 1jof s ALA 348 CO 0.00 -0.70 1.01 -0.98 0.00 0.00 0.00 175.76 175.09 1jof s ARG 349 N -3.25 0.60 -0.01 0.00 1.70 -1.26 -0.26 118.95 116.47 1jof s ARG 349 Ca 0.03 -0.09 -0.04 0.00 -0.47 0.00 0.00 55.73 55.15 1jof s ARG 349 Cb -0.01 0.28 0.00 0.00 -0.57 0.00 0.00 34.95 34.65 1jof s ARG 349 CO -0.10 -0.24 0.09 0.54 -1.08 0.00 0.00 175.30 174.52 1jof s VAL 350 N -2.18 0.05 -0.11 4.99 0.11 -0.53 -4.62 120.40 118.11 1jof s VAL 350 Ca 0.04 -0.41 -0.02 0.00 -2.93 0.00 0.00 61.98 58.65 1jof s VAL 350 Cb -0.01 -0.27 -0.03 0.00 -1.53 0.00 0.00 36.38 34.54 1jof s VAL 350 CO -0.04 -0.23 -0.01 -0.60 -3.33 0.00 0.00 175.10 170.89 1jof s ARG 351 N -0.73 3.19 -0.30 1.54 3.52 -1.26 -1.29 118.95 123.63 1jof s ARG 351 Ca -0.08 -0.45 0.03 0.00 -0.13 0.00 0.00 55.73 55.10 1jof s ARG 351 Cb -0.05 -2.83 0.08 0.00 -1.56 0.00 0.00 34.95 30.60 1jof s ARG 351 CO 0.00 0.55 -0.03 0.42 -0.81 0.00 0.00 175.30 175.44 1jof s ILE 352 N -0.48 2.12 -1.24 4.11 1.01 0.56 -5.00 121.20 122.28 1jof s ILE 352 Ca 0.08 -1.91 0.00 0.00 0.00 0.00 0.00 60.65 58.82 1jof s ILE 352 Cb -0.12 -2.40 0.00 0.00 0.01 0.00 0.00 42.46 39.95 1jof s ILE 352 CO 0.02 -0.31 0.00 -2.65 0.00 0.00 0.00 174.94 172.00 1jof n PRO 353 N 4.38 0.00 -3.46 2.79 -0.02 -1.26 -4.69 135.00 132.74 1jof n PRO 353 Ca -0.05 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.16 1jof n PRO 353 Cb 0.42 -0.98 -0.03 0.00 -0.02 0.00 0.00 33.50 32.89 1jof n PRO 353 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1jof s GLU 354 N -1.24 3.56 0.12 -0.52 0.41 -1.26 -5.02 118.70 114.74 1jof s GLU 354 Ca 0.00 -0.19 -0.33 0.00 -0.41 0.00 0.00 54.97 54.03 1jof s GLU 354 Cb 0.00 -2.71 -0.13 0.00 -1.78 0.00 0.00 34.13 29.51 1jof s GLU 354 CO 0.00 0.26 1.67 -2.30 -0.49 0.00 0.00 175.26 174.40 1jof n PRO 355 N -1.07 2.29 -1.22 0.39 -0.02 -1.26 -1.53 135.00 132.57 1jof n PRO 355 Ca -0.03 0.83 -0.08 0.00 -2.02 0.00 0.00 63.50 62.20 1jof n PRO 355 Cb 0.54 -2.63 -0.03 0.00 -0.02 0.00 0.00 33.50 31.36 1jof n PRO 355 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jof n GLY 356 N 3.73 0.77 3.75 -1.23 0.00 -1.26 -4.43 105.19 106.53 1jof n GLY 356 Ca 0.18 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.75 3.12 0.00 1.61 5.36 -0.58 -1.39 117.98 124.35 1jof s PHE 357 Ca 0.00 1.27 0.00 0.00 -0.96 0.00 0.00 56.93 57.24 1jof s PHE 357 Cb 0.00 -3.68 0.00 0.00 -0.34 0.00 0.00 43.02 39.00 1jof s PHE 357 CO 0.00 -2.02 0.00 0.41 -1.46 0.00 0.00 175.22 172.15 1jof n GLY 358 N 1.63 1.16 3.86 13.12 0.00 -1.19 -3.85 105.19 119.92 1jof n GLY 358 Ca 0.03 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.83 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 6.71 -0.01 1.61 4.22 -1.26 -3.44 114.94 122.78 1jof s ASN 360 Ca 0.00 0.91 0.03 0.00 -2.14 0.00 0.00 52.86 51.67 1jof s ASN 360 Cb 0.00 -2.22 -0.03 0.00 1.28 0.00 0.00 41.25 40.27 1jof s ASN 360 CO 0.00 0.13 -0.10 0.00 -2.04 0.00 0.00 177.10 175.09 1jof s ALA 361 N -1.45 2.89 0.03 3.54 0.00 -1.26 -3.59 121.76 121.92 1jof s ALA 361 Ca 0.36 -1.02 0.06 0.00 0.00 0.00 0.00 51.96 51.36 1jof s ALA 361 Cb -0.14 -1.06 -0.02 0.00 0.00 0.00 0.00 23.12 21.90 1jof s ALA 361 CO 0.19 0.59 -0.17 0.96 0.00 0.00 0.00 175.76 177.33 1jof s ILE 362 N -0.91 1.39 -0.12 0.00 -4.36 -1.26 -4.80 121.20 111.13 1jof s ILE 362 Ca 0.15 -0.99 -0.18 0.00 -0.26 0.00 0.00 60.65 59.37 1jof s ILE 362 Cb -0.11 -1.20 -0.04 0.00 1.25 0.00 0.00 42.46 42.36 1jof s ILE 362 CO 0.05 0.19 0.48 0.26 0.24 0.00 0.00 174.94 176.16 1jof s TRP 363 N -0.69 3.51 -0.06 1.37 0.52 -1.26 -4.30 118.94 118.02 1jof s TRP 363 Ca 0.05 0.89 0.03 0.00 0.02 0.00 0.00 56.10 57.09 1jof s TRP 363 Cb -0.08 -2.56 0.01 0.00 -1.15 0.00 0.00 33.47 29.69 1jof s TRP 363 CO 0.01 0.16 -0.14 -0.47 0.02 0.00 0.00 176.95 176.52 1jof s TYR 364 N 0.66 1.59 0.00 -1.98 5.04 -0.54 -5.00 117.35 117.12 1jof s TYR 364 Ca 0.26 -0.56 0.00 0.00 -2.44 0.00 0.00 57.07 54.33 1jof s TYR 364 Cb -0.15 -1.13 0.00 0.00 0.35 0.00 0.00 41.96 41.03 1jof s TYR 364 CO 0.10 -0.26 0.00 -0.25 -1.34 0.00 0.00 175.55 173.81