#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jof s LEU 2 N 0.00 4.38 0.15 2.45 1.43 -1.26 -1.78 118.68 124.05 1jof s LEU 2 Ca 0.00 0.51 0.05 0.00 -1.03 0.00 0.00 54.13 53.65 1jof s LEU 2 Cb 0.00 -2.51 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 1jof s LEU 2 CO 0.00 0.30 -0.10 -1.00 0.23 0.00 0.00 176.35 175.77 1jof s HIS 3 N -1.23 1.28 -0.00 0.29 3.76 -0.17 -4.98 115.29 114.24 1jof s HIS 3 Ca 0.24 -0.75 0.03 0.00 -0.15 0.00 0.00 55.06 54.44 1jof s HIS 3 Cb -0.13 -0.65 -0.01 0.00 1.11 0.00 0.00 32.58 32.90 1jof s HIS 3 CO 0.14 0.09 -0.09 -1.01 -0.85 0.00 0.00 174.74 173.02 1jof s HIS 4 N -3.27 0.84 0.00 1.40 3.76 -0.90 -0.76 115.29 116.36 1jof s HIS 4 Ca 0.17 -0.17 0.00 0.00 -0.15 0.00 0.00 55.06 54.91 1jof s HIS 4 Cb 0.02 -0.54 0.00 0.00 1.11 0.00 0.00 32.58 33.17 1jof s HIS 4 CO 0.01 -0.01 0.00 1.28 -0.85 0.00 0.00 174.74 175.16 1jof n LEU 5 N 2.79 0.00 0.00 0.89 4.32 0.64 -1.45 117.00 124.19 1jof n LEU 5 Ca -0.14 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.85 1jof n LEU 5 Cb 0.57 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.37 1jof n LEU 5 CO 0.25 0.00 0.00 -0.38 -1.22 0.00 0.00 177.39 176.04 1jof n ILE 7 N 0.00 0.00 -3.31 -0.08 -0.00 -0.15 -0.06 119.36 115.76 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 -0.30 3.32 3.16 7.39 0.00 -1.23 -1.25 105.19 116.27 1jof n GLY 8 Ca 0.00 -2.15 -0.11 0.00 0.00 0.00 0.00 46.02 43.77 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 0.30 0.66 -0.98 2.61 -4.23 -0.52 -3.11 115.64 110.37 1jof s THR 9 Ca 0.00 -1.86 0.26 0.00 -1.18 0.00 0.00 61.69 58.90 1jof s THR 9 Cb 0.00 -1.59 0.05 0.00 1.34 0.00 0.00 72.50 72.30 1jof s THR 9 CO 0.00 -0.84 1.50 1.87 -0.54 0.00 0.00 174.62 176.61 1jof n TRP 10 N 0.08 0.04 -3.97 3.99 -0.00 -0.22 -3.06 117.44 114.29 1jof n TRP 10 Ca -0.13 0.01 -0.09 0.00 -0.00 0.00 0.00 57.50 57.29 1jof n TRP 10 Cb 0.60 -0.32 -0.09 0.00 -0.00 0.00 0.00 31.31 31.50 1jof n TRP 10 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 1jof s THR 11 N -3.01 0.16 0.71 5.87 2.01 -1.26 -4.98 115.64 115.14 1jof s THR 11 Ca 0.11 -1.28 -0.12 0.00 0.31 0.00 0.00 61.69 60.71 1jof s THR 11 Cb 0.17 -1.05 0.02 0.00 0.01 0.00 0.00 72.50 71.66 1jof s THR 11 CO 0.67 -0.70 1.09 -2.84 -0.69 0.00 0.00 174.62 172.15 1jof s PRO 12 N -2.99 2.61 0.31 4.92 0.02 -1.26 -4.49 135.00 134.11 1jof s PRO 12 Ca -0.02 1.21 -0.28 0.00 0.02 0.00 0.00 61.00 61.94 1jof s PRO 12 Cb 0.01 -1.94 -0.09 0.00 0.02 0.00 0.00 34.50 32.50 1jof s PRO 12 CO -0.06 -1.38 1.07 -1.25 -0.33 0.00 0.00 177.00 175.05 1jof s PRO 13 N -4.60 4.51 0.39 5.54 0.04 -1.26 -4.80 135.00 134.82 1jof s PRO 13 Ca 0.63 1.69 -0.26 0.00 0.04 0.00 0.00 61.00 63.09 1jof s PRO 13 Cb -0.18 -3.00 -0.09 0.00 0.04 0.00 0.00 34.50 31.27 1jof s PRO 13 CO 0.50 0.13 1.30 0.20 0.04 0.00 0.00 177.00 179.17 1jof s GLY 14 N -1.11 2.94 -0.20 0.56 0.00 -0.56 -4.88 107.32 104.07 1jof s GLY 14 Ca 0.48 1.23 -0.29 0.00 0.00 0.00 0.00 44.72 46.14 1jof s GLY 14 CO 0.36 1.82 1.07 0.00 0.00 0.00 0.00 173.10 176.35 1jof s ALA 15 N -1.25 -1.97 -0.18 3.20 0.00 -1.26 -3.06 121.76 117.23 1jof s ALA 15 Ca 0.55 1.67 -0.03 0.00 0.00 0.00 0.00 51.96 54.15 1jof s ALA 15 Cb -0.38 -0.95 -0.01 0.00 0.00 0.00 0.00 23.12 21.77 1jof s ALA 15 CO 0.49 -0.28 -0.06 0.42 0.00 0.00 0.00 175.76 176.33 1jof s ILE 16 N -0.89 3.42 -0.13 0.00 1.01 -0.03 -4.44 121.20 120.14 1jof s ILE 16 Ca 0.01 -0.50 -0.06 0.00 0.00 0.00 0.00 60.65 60.09 1jof s ILE 16 Cb -0.01 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.91 1jof s ILE 16 CO -0.01 0.46 0.11 -0.36 0.00 0.00 0.00 174.94 175.14 1jof s PHE 17 N 0.95 3.47 -0.29 3.97 0.40 -0.38 -0.85 117.98 125.25 1jof s PHE 17 Ca -0.01 0.41 -0.05 0.00 -0.60 0.00 0.00 56.93 56.68 1jof s PHE 17 Cb -0.15 -1.95 0.02 0.00 0.51 0.00 0.00 43.02 41.46 1jof s PHE 17 CO 0.00 0.59 0.04 0.99 0.70 0.00 0.00 175.22 177.54 1jof s THR 18 N -0.72 3.56 -0.10 0.64 2.01 0.05 -0.98 115.64 120.10 1jof s THR 18 Ca 0.13 -0.90 -0.03 0.00 0.31 0.00 0.00 61.69 61.20 1jof s THR 18 Cb -0.12 -2.87 -0.03 0.00 0.01 0.00 0.00 72.50 69.49 1jof s THR 18 CO 0.03 0.06 0.02 -0.69 -0.69 0.00 0.00 174.62 173.35 1jof s VAL 19 N 1.42 4.49 -0.13 3.82 1.01 0.91 -0.77 120.40 131.15 1jof s VAL 19 Ca 0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.77 1jof s VAL 19 Cb -0.18 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 1jof s VAL 19 CO 0.00 0.60 0.00 -1.58 0.00 0.00 0.00 175.10 174.13 1jof s GLN 20 N -0.82 3.41 -0.15 2.72 0.74 0.45 -0.26 119.66 125.74 1jof s GLN 20 Ca 0.13 -0.42 0.01 0.00 0.05 0.00 0.00 55.36 55.12 1jof s GLN 20 Cb -0.12 -2.92 0.02 0.00 1.10 0.00 0.00 33.01 31.09 1jof s GLN 20 CO 0.02 0.47 -0.15 0.12 -0.55 0.00 0.00 175.29 175.20 1jof s PHE 21 N -0.24 2.27 -0.43 1.67 5.36 0.06 -1.55 117.98 125.12 1jof s PHE 21 Ca 0.06 -1.27 -0.19 0.00 -0.96 0.00 0.00 56.93 54.56 1jof s PHE 21 Cb -0.12 -1.64 0.02 0.00 -0.34 0.00 0.00 43.02 40.93 1jof s PHE 21 CO 0.02 -0.68 0.55 0.34 -1.46 0.00 0.00 175.22 173.99 1jof s ASP 22 N 1.41 6.27 0.00 6.13 -1.08 -0.73 -1.00 116.67 127.67 1jof s ASP 22 Ca 0.04 -0.46 0.23 0.00 -0.52 0.00 0.00 52.55 51.84 1jof s ASP 22 Cb -0.13 -2.28 1.32 0.00 -1.46 0.00 0.00 42.92 40.38 1jof s ASP 22 CO -0.10 -0.68 1.77 -0.90 0.52 0.00 0.00 175.17 175.78 1jof n ASP 23 N 5.95 0.00 -0.13 -0.34 5.68 -0.73 0.00 116.55 126.98 1jof n ASP 23 Ca -0.04 -0.50 -0.21 0.00 -0.50 0.00 0.00 54.79 53.54 1jof n ASP 23 Cb 0.48 -0.10 -0.11 0.00 -1.14 0.00 0.00 41.12 40.24 1jof n ASP 23 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1jof n GLU 24 N -1.10 0.63 0.05 0.11 1.02 -1.26 -4.43 120.64 115.66 1jof n GLU 24 Ca 0.15 0.18 0.12 0.00 -0.02 0.00 0.00 57.16 57.59 1jof n GLU 24 Cb 0.12 -1.51 0.11 0.00 -0.02 0.00 0.00 31.44 30.13 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 -3.53 0.30 -3.41 3.49 5.02 -1.21 -4.98 118.16 113.85 1jof n LYS 25 Ca -0.48 0.06 -0.18 0.00 -2.02 0.00 0.00 58.31 55.68 1jof n LYS 25 Cb 0.96 -1.66 0.07 0.00 -0.02 0.00 0.00 35.03 34.38 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 -2.08 -4.56 -4.30 -0.35 4.77 0.10 -5.03 117.00 105.55 1jof n LEU 26 Ca 0.03 -0.74 -0.16 0.00 -0.03 0.00 0.00 56.01 55.11 1jof n LEU 26 Cb 0.44 -3.03 -0.10 0.00 -2.33 0.00 0.00 43.42 38.41 1jof n LEU 26 CO 0.38 0.26 -0.38 0.42 -1.33 0.00 0.00 177.39 176.74 1jof s THR 27 N -3.43 1.20 -0.04 -5.08 -4.23 -1.15 -4.44 115.64 98.47 1jof s THR 27 Ca 0.28 -2.07 0.04 0.00 -1.18 0.00 0.00 61.69 58.76 1jof s THR 27 Cb -0.05 -2.09 -0.00 0.00 1.34 0.00 0.00 72.50 71.70 1jof s THR 27 CO 0.76 -0.54 -0.15 0.00 -0.54 0.00 0.00 174.62 174.14 1jof s LYS 29 N 0.06 0.12 -0.09 0.00 3.01 -0.60 -4.77 119.74 117.47 1jof s LYS 29 Ca -0.03 0.14 -0.28 0.00 -1.01 0.00 0.00 55.97 54.79 1jof s LYS 29 Cb -0.11 0.06 -0.02 0.00 -1.01 0.00 0.00 37.83 36.75 1jof s LYS 29 CO 0.02 -0.02 0.91 -1.17 0.51 0.00 0.00 175.35 175.61 1jof s LEU 30 N 0.04 4.27 0.00 3.17 2.96 -1.26 -0.42 118.68 127.44 1jof s LEU 30 Ca -0.00 1.43 0.03 0.00 -0.22 0.00 0.00 54.13 55.37 1jof s LEU 30 Cb -0.01 -3.41 0.03 0.00 0.50 0.00 0.00 46.19 43.30 1jof s LEU 30 CO 0.00 -0.34 0.60 2.30 -1.32 0.00 0.00 176.35 177.59 1jof n ILE 31 N 4.32 0.00 -3.64 6.68 -5.35 0.05 -4.94 119.36 116.48 1jof n ILE 31 Ca 0.06 -0.50 -0.04 0.00 -0.27 0.00 0.00 62.75 61.99 1jof n ILE 31 Cb 0.50 1.07 -0.07 0.00 -1.74 0.00 0.00 39.64 39.40 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 -0.29 0.35 -0.35 6.28 2.47 -1.13 -4.97 119.74 122.11 1jof s LYS 32 Ca 0.04 0.51 0.03 0.00 -1.56 0.00 0.00 55.97 55.00 1jof s LYS 32 Cb 0.03 0.12 0.10 0.00 -1.46 0.00 0.00 37.83 36.62 1jof s LYS 32 CO 0.04 -0.06 0.08 0.50 0.16 0.00 0.00 175.35 176.07 1jof s ARG 33 N 0.79 1.38 -0.27 4.03 3.52 -1.26 -0.77 118.95 126.37 1jof s ARG 33 Ca -0.03 -1.80 -0.21 0.00 -0.13 0.00 0.00 55.73 53.56 1jof s ARG 33 Cb -0.04 -2.99 -0.01 0.00 -1.56 0.00 0.00 34.95 30.35 1jof s ARG 33 CO -0.12 -0.96 0.68 0.99 -0.81 0.00 0.00 175.30 175.08 1jof s THR 34 N 0.93 4.93 0.31 4.11 2.01 -0.03 -4.93 115.64 122.97 1jof s THR 34 Ca 0.11 1.15 -0.29 0.00 0.31 0.00 0.00 61.69 62.98 1jof s THR 34 Cb -0.19 -4.00 -0.10 0.00 0.01 0.00 0.00 72.50 68.22 1jof s THR 34 CO -0.10 -0.06 1.13 -0.70 -0.69 0.00 0.00 174.62 174.20 1jof s GLU 35 N 2.63 4.52 0.19 4.92 2.12 -1.26 -0.85 118.70 130.97 1jof s GLU 35 Ca 0.28 1.84 -0.00 0.00 0.36 0.00 0.00 54.97 57.45 1jof s GLU 35 Cb -0.15 -3.08 -0.04 0.00 0.26 0.00 0.00 34.13 31.11 1jof s GLU 35 CO 0.09 0.09 0.09 0.96 -0.54 0.00 0.00 175.26 175.95 1jof s ILE 36 N -1.22 0.26 -0.34 -3.70 -4.36 -1.17 -4.90 121.20 105.77 1jof s ILE 36 Ca 0.47 -1.98 -0.31 0.00 -0.26 0.00 0.00 60.65 58.58 1jof s ILE 36 Cb -0.32 -2.37 -0.13 0.00 1.25 0.00 0.00 42.46 40.88 1jof s ILE 36 CO 0.41 -0.18 1.28 -2.65 0.24 0.00 0.00 174.94 174.05 1jof n PRO 37 N -0.27 0.00 -0.33 0.37 -0.02 -1.26 -4.38 135.00 129.11 1jof n PRO 37 Ca -0.01 0.00 0.29 0.00 -2.02 0.00 0.00 63.50 61.76 1jof n PRO 37 Cb 0.65 -1.01 0.55 0.00 -0.02 0.00 0.00 33.50 33.67 1jof n PRO 37 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 1jof h GLN 38 N 4.86 0.11 -0.56 -0.52 -0.00 -1.96 0.15 115.11 117.19 1jof h GLN 38 Ca -0.17 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.47 1jof h GLN 38 Cb 0.94 -0.02 0.00 0.00 -0.00 0.00 0.00 27.48 28.40 1jof h GLN 38 CO 0.70 0.07 0.00 -0.40 -0.00 0.00 0.00 178.83 179.20 1jof n ASP 39 N -5.17 5.43 -2.61 0.06 5.75 -1.26 -1.49 116.55 117.26 1jof n ASP 39 Ca 0.36 -2.86 -0.26 0.00 -0.01 0.00 0.00 54.79 52.01 1jof n ASP 39 Cb 1.19 -0.66 -0.01 0.00 -1.03 0.00 0.00 41.12 40.62 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 0.60 3.31 -2.05 0.11 1.02 0.52 -4.72 120.64 119.42 1jof n GLU 40 Ca 0.27 -4.56 -0.41 0.00 -0.02 0.00 0.00 57.16 52.44 1jof n GLU 40 Cb 1.12 -2.22 -0.02 0.00 -0.02 0.00 0.00 31.44 30.31 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 4.30 -0.48 3.49 0.04 -1.26 -4.78 135.00 132.81 1jof s PRO 41 Ca 0.48 2.29 -0.18 0.00 0.04 0.00 0.00 61.00 63.63 1jof s PRO 41 Cb 0.37 -3.05 0.05 0.00 0.04 0.00 0.00 34.50 31.91 1jof s PRO 41 CO -0.17 -0.26 0.56 0.42 0.04 0.00 0.00 177.00 177.59 1jof s ILE 42 N -1.14 4.96 -0.98 0.56 1.01 -1.24 -4.33 121.20 120.05 1jof s ILE 42 Ca 0.50 -0.45 0.27 0.00 0.00 0.00 0.00 60.65 60.97 1jof s ILE 42 Cb -0.41 -4.21 0.14 0.00 0.01 0.00 0.00 42.46 37.99 1jof s ILE 42 CO 0.55 -0.67 1.70 -1.54 0.00 0.00 0.00 174.94 174.98 1jof n SER 43 N 5.95 0.25 -3.51 3.58 3.41 -0.84 -1.44 113.62 121.02 1jof n SER 43 Ca -0.07 0.19 -0.14 0.00 -0.26 0.00 0.00 58.87 58.58 1jof n SER 43 Cb 0.46 -0.18 -0.04 0.00 -0.26 0.00 0.00 64.21 64.18 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 -3.01 -0.53 0.00 7.33 -0.11 -1.25 -4.50 118.94 116.87 1jof s TRP 44 Ca 0.12 0.61 0.00 0.00 1.22 0.00 0.00 56.10 58.05 1jof s TRP 44 Cb 0.18 0.43 0.00 0.00 -1.50 0.00 0.00 33.47 32.58 1jof s TRP 44 CO 0.61 -0.70 0.00 -2.37 -4.62 0.00 0.00 176.95 169.87 1jof n THR 46 N 0.29 0.00 -3.49 5.86 5.66 -0.82 -0.94 114.28 120.84 1jof n THR 46 Ca -0.18 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.55 1jof n THR 46 Cb 0.61 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.36 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 0.15 1.09 0.40 -1.26 -1.24 117.98 118.61 1jof s PHE 47 Ca 0.00 0.48 -0.02 0.00 -0.60 0.00 0.00 56.93 56.79 1jof s PHE 47 Cb 0.00 -1.97 0.03 0.00 0.51 0.00 0.00 43.02 41.59 1jof s PHE 47 CO 0.00 0.25 0.21 -0.40 0.70 0.00 0.00 175.22 175.97 1jof n ASP 48 N -0.95 0.07 0.21 1.36 5.75 -0.92 -4.75 116.55 117.32 1jof n ASP 48 Ca -0.03 -1.11 0.15 0.00 -0.01 0.00 0.00 54.79 53.79 1jof n ASP 48 Cb 0.54 -0.15 0.69 0.00 -1.03 0.00 0.00 41.12 41.17 1jof n ASP 48 CO 0.00 0.00 0.00 1.12 -0.11 0.00 0.00 177.20 178.21 1jof h HIS 49 N -0.94 0.00 -0.00 2.11 2.07 -1.88 -2.53 115.15 113.98 1jof h HIS 49 Ca -0.07 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.45 1jof h HIS 49 Cb 0.20 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.18 1jof h HIS 49 CO 0.00 0.00 0.00 0.39 -3.07 0.00 0.00 177.93 175.25 1jof n GLU 50 N -2.57 2.71 -2.74 5.12 1.02 -1.26 -4.98 120.64 117.94 1jof n GLU 50 Ca -0.00 -1.69 -0.20 0.00 -0.02 0.00 0.00 57.16 55.25 1jof n GLU 50 Cb 0.16 -1.09 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 -0.65 -3.06 0.00 3.49 1.74 -0.95 -4.83 116.66 112.40 1jof n ARG 51 Ca 0.03 0.80 0.11 0.00 -0.77 0.00 0.00 57.85 58.02 1jof n ARG 51 Cb 0.32 -5.52 -0.08 0.00 -1.02 0.00 0.00 32.46 26.16 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 -3.38 0.19 -4.08 5.56 5.02 -1.26 -4.80 118.16 115.40 1jof n LYS 52 Ca -0.15 -0.04 -0.12 0.00 -2.02 0.00 0.00 58.31 55.99 1jof n LYS 52 Cb 0.63 -1.52 -0.11 0.00 -0.02 0.00 0.00 35.03 34.01 1jof n LYS 52 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1jof s ASN 53 N -3.49 0.84 -0.13 4.39 0.01 -1.26 0.50 114.94 115.80 1jof s ASN 53 Ca 0.04 -0.69 0.02 0.00 -0.71 0.00 0.00 52.86 51.52 1jof s ASN 53 Cb 0.15 0.07 0.02 0.00 0.41 0.00 0.00 41.25 41.90 1jof s ASN 53 CO 0.85 -0.31 -0.17 -0.63 -1.51 0.00 0.00 177.10 175.34 1jof s ILE 54 N -2.13 1.67 -0.05 0.60 1.01 0.25 -2.16 121.20 120.38 1jof s ILE 54 Ca -0.04 -0.73 -0.02 0.00 0.00 0.00 0.00 60.65 59.86 1jof s ILE 54 Cb -0.05 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 1jof s ILE 54 CO -0.02 0.48 0.06 -0.31 0.00 0.00 0.00 174.94 175.15 1jof s TYR 55 N 1.05 3.28 0.06 3.97 4.12 -0.37 -0.56 117.35 128.91 1jof s TYR 55 Ca -0.04 0.25 0.02 0.00 0.02 0.00 0.00 57.07 57.32 1jof s TYR 55 Cb -0.15 -1.79 -0.03 0.00 -1.52 0.00 0.00 41.96 38.48 1jof s TYR 55 CO -0.04 0.55 -0.08 0.20 0.02 0.00 0.00 175.55 176.20 1jof s GLY 56 N -1.29 0.61 -0.52 0.71 0.00 -0.10 -1.94 107.32 104.78 1jof s GLY 56 Ca 0.18 -0.94 -0.21 0.00 0.00 0.00 0.00 44.72 43.75 1jof s GLY 56 CO 0.08 -1.01 0.73 0.00 0.00 0.00 0.00 173.10 172.90 1jof s ALA 57 N -1.97 3.31 0.00 3.20 0.00 -0.12 -2.05 121.76 124.14 1jof s ALA 57 Ca -0.04 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.36 1jof s ALA 57 Cb -0.06 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1jof s ALA 57 CO -0.01 -2.13 0.00 0.00 0.00 0.00 0.00 175.76 173.62 1jof n ALA 58 N 6.61 1.99 0.00 0.00 0.00 -1.26 -1.99 120.51 125.86 1jof n ALA 58 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1jof n ALA 58 Cb 0.46 0.42 0.00 0.00 0.00 0.00 0.00 19.45 20.33 1jof n ALA 58 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jof n LYS 60 N -2.33 0.00 -4.31 0.00 4.76 -1.26 -4.63 118.16 110.38 1jof n LYS 60 Ca 0.00 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.27 1jof n LYS 60 Cb 0.49 -0.25 -0.10 0.00 -1.84 0.00 0.00 35.03 33.33 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 -0.05 1.26 -0.32 1.97 -0.14 -1.26 -3.84 119.74 117.37 1jof s LYS 61 Ca 0.00 -1.60 0.00 0.00 -1.36 0.00 0.00 55.97 53.01 1jof s LYS 61 Cb 0.00 -0.71 0.07 0.00 -1.68 0.00 0.00 37.83 35.51 1jof s LYS 61 CO 0.00 -0.00 0.02 -1.58 -0.76 0.00 0.00 175.35 173.03 1jof s TRP 62 N -3.31 3.41 0.20 3.18 0.52 0.52 -4.63 118.94 118.83 1jof s TRP 62 Ca 0.24 -2.25 0.03 0.00 0.02 0.00 0.00 56.10 54.13 1jof s TRP 62 Cb 0.04 -2.40 -0.03 0.00 -1.15 0.00 0.00 33.47 29.92 1jof s TRP 62 CO 0.06 -0.87 0.34 -1.54 0.02 0.00 0.00 176.95 174.95 1jof s SER 63 N 1.26 6.34 -0.05 2.95 1.04 -0.87 -0.97 113.70 123.40 1jof s SER 63 Ca -0.01 0.18 0.02 0.00 0.48 0.00 0.00 55.95 56.62 1jof s SER 63 Cb -0.20 -1.91 0.01 0.00 0.10 0.00 0.00 66.02 64.02 1jof s SER 63 CO -0.04 -0.02 -0.11 -0.55 0.98 0.00 0.00 173.24 173.50 1jof s SER 64 N -3.55 1.61 -0.01 7.02 0.15 0.77 -0.93 113.70 118.77 1jof s SER 64 Ca 0.35 -0.26 0.02 0.00 0.70 0.00 0.00 55.95 56.76 1jof s SER 64 Cb -0.10 -0.66 -0.01 0.00 -1.71 0.00 0.00 66.02 63.55 1jof s SER 64 CO 0.29 0.04 -0.07 -0.36 1.20 0.00 0.00 173.24 174.35 1jof s PHE 65 N 0.52 0.63 -0.06 3.44 0.40 0.28 -1.18 117.98 122.02 1jof s PHE 65 Ca -0.11 -0.12 -0.15 0.00 -0.60 0.00 0.00 56.93 55.96 1jof s PHE 65 Cb -0.14 -0.41 -0.05 0.00 0.51 0.00 0.00 43.02 42.93 1jof s PHE 65 CO 0.03 -0.01 0.38 0.00 0.70 0.00 0.00 175.22 176.32 1jof s ALA 66 N -0.16 3.65 -0.27 5.36 0.00 -0.54 0.84 121.76 130.64 1jof s ALA 66 Ca 0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 51.96 51.69 1jof s ALA 66 Cb -0.03 -2.41 0.04 0.00 0.00 0.00 0.00 23.12 20.72 1jof s ALA 66 CO -0.00 0.33 -0.04 0.08 0.00 0.00 0.00 175.76 176.13 1jof s VAL 67 N -0.48 2.83 -0.08 0.00 1.01 0.18 -0.51 120.40 123.35 1jof s VAL 67 Ca 0.22 -1.26 0.04 0.00 0.00 0.00 0.00 61.98 60.98 1jof s VAL 67 Cb -0.15 -2.55 -0.24 0.00 0.00 0.00 0.00 36.38 33.43 1jof s VAL 67 CO 0.10 0.04 0.51 2.29 0.00 0.00 0.00 175.10 178.04 1jof n LYS 68 N 4.62 0.69 -3.86 2.72 2.85 -0.46 -4.66 118.16 120.06 1jof n LYS 68 Ca -0.15 0.27 -0.08 0.00 -1.05 0.00 0.00 58.31 57.31 1jof n LYS 68 Cb 0.45 -1.75 -0.01 0.00 -0.65 0.00 0.00 35.03 33.07 1jof n LYS 68 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1jof s SER 69 N -6.51 -0.09 0.52 -5.58 1.04 -1.23 -4.98 113.70 96.87 1jof s SER 69 Ca -0.13 -0.88 0.25 0.00 0.48 0.00 0.00 55.95 55.67 1jof s SER 69 Cb 0.07 0.76 1.37 0.00 0.10 0.00 0.00 66.02 68.33 1jof s SER 69 CO 0.80 -1.47 1.97 -0.65 0.98 0.00 0.00 173.24 174.87 1jof h PRO 70 N 2.02 0.04 -0.12 4.02 0.11 -1.99 -1.72 132.00 134.36 1jof h PRO 70 Ca -0.25 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1jof h PRO 70 Cb 1.25 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1jof h PRO 70 CO 0.32 0.03 0.00 0.25 -0.21 0.00 0.00 178.00 178.38 1jof n THR 71 N -4.37 0.18 -3.91 -1.15 -2.24 -1.26 -4.77 114.28 96.75 1jof n THR 71 Ca 0.12 -0.59 -0.30 0.00 -2.27 0.00 0.00 64.05 61.01 1jof n THR 71 Cb 0.66 1.24 -0.13 0.00 -2.10 0.00 0.00 70.33 69.99 1jof n THR 71 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1jof s GLU 72 N -1.48 2.20 -0.20 -0.78 2.02 -0.65 -5.02 118.70 114.79 1jof s GLU 72 Ca 0.25 -2.85 -0.01 0.00 0.02 0.00 0.00 54.97 52.38 1jof s GLU 72 Cb 0.17 -3.40 0.02 0.00 0.10 0.00 0.00 34.13 31.01 1jof s GLU 72 CO 0.24 -1.17 -0.13 0.42 0.02 0.00 0.00 175.26 174.64 1jof s ILE 73 N -0.65 2.53 -0.21 -1.63 1.01 -1.26 -1.35 121.20 119.63 1jof s ILE 73 Ca 0.20 -0.86 -0.01 0.00 0.00 0.00 0.00 60.65 59.97 1jof s ILE 73 Cb -0.19 -2.14 0.01 0.00 0.01 0.00 0.00 42.46 40.16 1jof s ILE 73 CO -0.05 0.44 -0.12 -0.69 0.00 0.00 0.00 174.94 174.51 1jof s VAL 74 N 1.34 2.64 0.02 2.92 1.01 0.33 -4.95 120.40 123.71 1jof s VAL 74 Ca 0.04 -0.86 -0.33 0.00 0.00 0.00 0.00 61.98 60.83 1jof s VAL 74 Cb -0.14 -2.22 -0.12 0.00 0.00 0.00 0.00 36.38 33.90 1jof s VAL 74 CO -0.09 0.40 1.80 1.57 0.00 0.00 0.00 175.10 178.78 1jof n HIS 75 N 4.68 2.36 0.10 5.22 -0.00 -1.26 -1.46 115.22 124.85 1jof n HIS 75 Ca -0.19 0.02 0.01 0.00 0.46 0.00 0.00 57.72 58.03 1jof n HIS 75 Cb 0.49 -2.65 -0.02 0.00 -0.12 0.00 0.00 29.99 27.69 1jof n HIS 75 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1jof n GLU 76 N 5.70 4.40 0.00 1.57 1.02 -0.32 -4.92 120.64 128.08 1jof n GLU 76 Ca 0.20 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 1jof n GLU 76 Cb 0.31 -0.76 0.00 0.00 -0.02 0.00 0.00 31.44 30.98 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 -1.22 0.00 -3.52 0.62 0.00 -1.07 -4.97 120.51 110.36 1jof n ALA 77 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1jof n ALA 77 Cb 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.37 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 1.42 0.15 0.00 0.01 -1.26 -0.16 113.70 113.85 1jof s SER 78 Ca 0.00 -0.21 0.01 0.00 1.31 0.00 0.00 55.95 57.06 1jof s SER 78 Cb 0.00 0.32 -0.04 0.00 0.21 0.00 0.00 66.02 66.51 1jof s SER 78 CO 0.00 -0.32 0.31 -1.00 0.41 0.00 0.00 173.24 172.63 1jof s HIS 79 N 2.31 3.49 0.77 2.43 3.76 -0.14 -4.85 115.29 123.06 1jof s HIS 79 Ca 0.06 0.19 -0.10 0.00 -0.15 0.00 0.00 55.06 55.06 1jof s HIS 79 Cb -0.15 -1.72 0.07 0.00 1.11 0.00 0.00 32.58 31.89 1jof s HIS 79 CO -0.11 0.49 1.12 -1.25 -0.85 0.00 0.00 174.74 174.14 1jof s PRO 80 N -3.19 2.03 0.04 8.40 0.04 -1.26 -0.35 135.00 140.71 1jof s PRO 80 Ca 0.36 -0.02 -0.30 0.00 0.04 0.00 0.00 61.00 61.07 1jof s PRO 80 Cb -0.11 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 1jof s PRO 80 CO 0.29 -1.48 1.04 0.42 0.04 0.00 0.00 177.00 177.31 1jof s ILE 81 N -3.46 4.55 0.50 0.56 1.01 -1.25 -4.74 121.20 118.37 1jof s ILE 81 Ca 0.61 1.87 0.05 0.00 0.00 0.00 0.00 60.65 63.19 1jof s ILE 81 Cb -0.11 -4.20 0.03 0.00 0.01 0.00 0.00 42.46 38.19 1jof s ILE 81 CO 0.47 0.17 0.69 -0.83 0.00 0.00 0.00 174.94 175.45 1jof s GLY 82 N 0.85 1.87 0.00 6.18 0.00 -1.26 -4.61 107.32 110.36 1jof s GLY 82 Ca 0.53 -1.59 0.00 0.00 0.00 0.00 0.00 44.72 43.66 1jof s GLY 82 CO 0.29 -1.33 0.00 0.61 0.00 0.00 0.00 173.10 172.67 1jof n GLY 83 N -2.13 0.88 3.74 0.20 0.00 -1.26 -4.89 105.19 101.74 1jof n GLY 83 Ca 0.09 -1.08 -0.41 0.00 0.00 0.00 0.00 46.02 44.62 1jof n GLY 83 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1jof s HIS 84 N 0.00 3.21 0.20 1.61 5.65 -1.26 -4.94 115.29 119.77 1jof s HIS 84 Ca 0.00 1.24 -0.17 0.00 0.25 0.00 0.00 55.06 56.38 1jof s HIS 84 Cb 0.00 -3.63 0.19 0.00 -1.18 0.00 0.00 32.58 27.96 1jof s HIS 84 CO 0.00 -1.93 1.60 -1.35 -0.65 0.00 0.00 174.74 172.41 1jof h PRO 85 N 5.03 -0.09 0.00 2.88 0.11 -1.94 -1.06 132.00 136.93 1jof h PRO 85 Ca -0.45 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1jof h PRO 85 Cb 1.22 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1jof h PRO 85 CO 0.75 -0.06 0.00 0.54 -0.21 0.00 0.00 178.00 179.03 1jof n ARG 86 N -5.45 0.45 -0.12 1.05 1.74 -1.26 -3.74 116.66 109.32 1jof n ARG 86 Ca 0.06 0.05 0.13 0.00 -0.77 0.00 0.00 57.85 57.33 1jof n ARG 86 Cb 0.36 -1.50 0.50 0.00 -1.02 0.00 0.00 32.46 30.79 1jof n ARG 86 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jof h ALA 87 N 3.05 2.05 0.00 7.54 0.00 -1.44 -2.21 119.26 128.25 1jof h ALA 87 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1jof h ALA 87 Cb 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1jof h ALA 87 CO 0.00 -0.22 -0.65 0.09 0.00 0.00 0.00 179.25 178.47 1jof n ASN 88 N -4.47 0.63 -4.64 0.00 3.02 -1.25 -4.58 115.26 103.97 1jof n ASN 88 Ca 0.12 -0.02 -0.45 0.00 -0.03 0.00 0.00 54.58 54.20 1jof n ASN 88 Cb 0.44 0.27 -0.02 0.00 -0.61 0.00 0.00 39.78 39.86 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 -1.93 2.05 0.00 6.41 8.00 -0.83 -4.80 116.55 125.45 1jof n ASP 89 Ca 0.04 1.17 0.07 0.00 0.71 0.00 0.00 54.79 56.78 1jof n ASP 89 Cb 0.41 -1.36 0.34 0.00 -0.02 0.00 0.00 41.12 40.49 1jof n ASP 89 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jof n ALA 90 N 0.94 1.74 0.87 2.24 0.00 -1.26 -2.51 120.51 122.53 1jof n ALA 90 Ca 0.10 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.60 1jof n ALA 90 Cb 0.31 -1.25 0.23 0.00 0.00 0.00 0.00 19.45 18.74 1jof n ALA 90 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1jof n ASP 91 N -1.45 2.80 -4.71 0.00 5.68 -1.26 -4.91 116.55 112.69 1jof n ASP 91 Ca 0.05 -1.90 -0.32 0.00 -0.50 0.00 0.00 54.79 52.12 1jof n ASP 91 Cb 0.17 -0.09 -0.08 0.00 -1.14 0.00 0.00 41.12 39.97 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 -1.81 4.27 -2.00 2.12 -4.23 -1.04 -5.02 115.64 107.93 1jof s THR 92 Ca 0.33 -0.70 0.19 0.00 -1.18 0.00 0.00 61.69 60.33 1jof s THR 92 Cb 0.21 -2.97 0.54 0.00 1.34 0.00 0.00 72.50 71.61 1jof s THR 92 CO 0.31 0.26 1.64 -0.46 -0.54 0.00 0.00 174.62 175.82 1jof n ASN 93 N 0.98 0.00 -4.63 3.99 0.23 -1.26 -4.88 115.26 109.69 1jof n ASN 93 Ca -0.12 -1.14 -0.45 0.00 -0.53 0.00 0.00 54.58 52.34 1jof n ASN 93 Cb 0.52 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.20 1jof n ASN 93 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 1jof n THR 94 N -0.84 1.58 -3.82 5.53 -1.04 -1.26 -4.72 114.28 109.71 1jof n THR 94 Ca 0.14 -0.40 -0.12 0.00 -2.04 0.00 0.00 64.05 61.63 1jof n THR 94 Cb 0.06 -1.20 -0.13 0.00 -1.82 0.00 0.00 70.33 67.24 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 -1.17 0.17 -0.16 -2.82 3.52 -0.76 -4.79 118.95 112.94 1jof s ARG 95 Ca 0.62 0.22 -0.29 0.00 -0.13 0.00 0.00 55.73 56.15 1jof s ARG 95 Cb -0.69 0.07 -0.03 0.00 -1.56 0.00 0.00 34.95 32.75 1jof s ARG 95 CO 0.57 -0.03 1.54 0.00 -0.81 0.00 0.00 175.30 176.57 1jof s ALA 96 N 0.13 3.46 -0.08 6.12 0.00 -1.26 -0.03 121.76 130.10 1jof s ALA 96 Ca -0.00 0.60 0.05 0.00 0.00 0.00 0.00 51.96 52.60 1jof s ALA 96 Cb -0.01 -3.77 -0.08 0.00 0.00 0.00 0.00 23.12 19.25 1jof s ALA 96 CO -0.00 -1.61 0.00 1.51 0.00 0.00 0.00 175.76 175.65 1jof n ILE 97 N 5.90 0.51 -3.89 0.00 0.13 -0.70 -4.28 119.36 117.03 1jof n ILE 97 Ca 0.17 -0.29 -0.10 0.00 -1.10 0.00 0.00 62.75 61.43 1jof n ILE 97 Cb 0.44 -0.81 -0.09 0.00 -0.84 0.00 0.00 39.64 38.34 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 -2.18 0.11 -0.04 9.51 5.36 -1.17 -4.68 117.98 124.90 1jof s PHE 98 Ca -0.06 -0.34 -0.07 0.00 -0.96 0.00 0.00 56.93 55.51 1jof s PHE 98 Cb 0.02 -0.08 0.01 0.00 -0.34 0.00 0.00 43.02 42.63 1jof s PHE 98 CO 0.28 -0.36 0.17 -1.17 -1.46 0.00 0.00 175.22 172.68 1jof s LEU 99 N -1.92 1.38 -0.03 6.12 2.96 -1.26 -0.91 118.68 125.01 1jof s LEU 99 Ca -0.08 0.16 -0.00 0.00 -0.22 0.00 0.00 54.13 53.99 1jof s LEU 99 Cb -0.03 0.66 0.03 0.00 0.50 0.00 0.00 46.19 47.35 1jof s LEU 99 CO -0.03 -0.18 0.03 -0.22 -1.32 0.00 0.00 176.35 174.63 1jof s LEU 100 N -0.46 0.85 -0.32 -0.68 2.96 0.10 -4.91 118.68 116.21 1jof s LEU 100 Ca -0.06 0.03 -0.10 0.00 -0.22 0.00 0.00 54.13 53.78 1jof s LEU 100 Cb -0.04 -0.13 -0.01 0.00 0.50 0.00 0.00 46.19 46.52 1jof s LEU 100 CO 0.01 -0.16 0.18 0.00 -1.32 0.00 0.00 176.35 175.06 1jof s ALA 101 N 1.36 3.34 0.50 5.97 0.00 -1.26 -0.43 121.76 131.24 1jof s ALA 101 Ca -0.05 -1.40 -0.22 0.00 0.00 0.00 0.00 51.96 50.28 1jof s ALA 101 Cb -0.13 -2.46 -0.07 0.00 0.00 0.00 0.00 23.12 20.46 1jof s ALA 101 CO -0.03 -0.94 1.16 0.00 0.00 0.00 0.00 175.76 175.96 1jof n ALA 102 N 5.01 0.87 0.83 0.00 0.00 -0.48 -4.82 120.51 121.92 1jof n ALA 102 Ca -0.13 0.16 0.09 0.00 0.00 0.00 0.00 53.44 53.55 1jof n ALA 102 Cb 0.49 -2.21 -0.00 0.00 0.00 0.00 0.00 19.45 17.72 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 -0.48 1.50 -4.34 0.00 5.02 -1.26 -4.49 118.16 114.11 1jof n LYS 103 Ca 0.10 -0.89 -0.26 0.00 -2.02 0.00 0.00 58.31 55.24 1jof n LYS 103 Cb 0.43 -1.36 -0.09 0.00 -0.02 0.00 0.00 35.03 33.99 1jof n LYS 103 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1jof s GLN 104 N -2.13 1.96 0.47 1.97 -1.52 -1.26 -4.91 119.66 114.23 1jof s GLN 104 Ca 0.15 -1.40 -0.22 0.00 -1.95 0.00 0.00 55.36 51.94 1jof s GLN 104 Cb 0.15 -2.06 -0.10 0.00 -0.22 0.00 0.00 33.01 30.79 1jof s GLN 104 CO 0.47 0.40 0.90 -2.30 -0.25 0.00 0.00 175.29 174.52 1jof n PRO 105 N -0.15 1.10 -0.28 2.91 -0.02 -1.26 -0.60 135.00 136.69 1jof n PRO 105 Ca -0.10 0.40 0.01 0.00 -2.02 0.00 0.00 63.50 61.79 1jof n PRO 105 Cb 0.57 -1.97 0.11 0.00 -0.02 0.00 0.00 33.50 32.19 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 -0.02 2.07 -3.23 0.52 -0.04 -1.26 -4.93 135.00 128.10 1jof n PRO 106 Ca 0.11 -0.94 -0.23 0.00 -0.04 0.00 0.00 63.50 62.39 1jof n PRO 106 Cb 0.41 -1.68 0.02 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 0.16 -1.99 -1.15 0.54 4.02 0.23 -4.63 117.16 114.35 1jof n TYR 107 Ca 0.10 0.56 -0.29 0.00 -0.01 0.00 0.00 57.90 58.26 1jof n TYR 107 Cb 0.58 -3.98 0.16 0.00 -0.02 0.00 0.00 39.34 36.07 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 -3.11 1.19 -0.11 -0.72 0.00 -1.26 -4.56 121.76 113.19 1jof s ALA 108 Ca 0.38 -0.18 0.04 0.00 0.00 0.00 0.00 51.96 52.19 1jof s ALA 108 Cb -0.18 -3.17 -0.00 0.00 0.00 0.00 0.00 23.12 19.77 1jof s ALA 108 CO 0.47 -2.64 -0.23 0.08 0.00 0.00 0.00 175.76 173.44 1jof s VAL 109 N -2.92 2.13 -0.22 0.00 1.01 -0.22 -1.38 120.40 118.80 1jof s VAL 109 Ca 0.65 -0.99 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 1jof s VAL 109 Cb -0.19 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 1jof s VAL 109 CO 0.58 0.56 0.01 -0.31 0.00 0.00 0.00 175.10 175.94 1jof s TYR 110 N 0.39 3.04 0.09 5.22 1.51 0.43 -0.65 117.35 127.37 1jof s TYR 110 Ca -0.17 -0.54 0.08 0.00 -1.01 0.00 0.00 57.07 55.43 1jof s TYR 110 Cb -0.18 -2.14 -0.03 0.00 -0.11 0.00 0.00 41.96 39.51 1jof s TYR 110 CO 0.08 -0.33 -0.21 0.00 -1.11 0.00 0.00 175.55 173.97 1jof s ALA 111 N 1.28 1.85 -0.17 3.71 0.00 0.73 0.01 121.76 129.17 1jof s ALA 111 Ca 0.04 -1.22 0.01 0.00 0.00 0.00 0.00 51.96 50.78 1jof s ALA 111 Cb -0.15 -0.28 0.02 0.00 0.00 0.00 0.00 23.12 22.72 1jof s ALA 111 CO 0.01 0.39 -0.16 -0.80 0.00 0.00 0.00 175.76 175.20 1jof s ASN 112 N -1.74 2.97 0.76 0.00 0.01 -0.09 -0.75 114.94 116.10 1jof s ASN 112 Ca 0.07 -0.61 -0.12 0.00 -0.71 0.00 0.00 52.86 51.50 1jof s ASN 112 Cb -0.10 -1.31 0.05 0.00 0.41 0.00 0.00 41.25 40.30 1jof s ASN 112 CO 0.04 -0.05 1.12 -2.16 -1.51 0.00 0.00 177.10 174.54 1jof s PRO 113 N 1.39 2.37 0.14 -0.60 0.04 -1.26 -1.72 135.00 135.36 1jof s PRO 113 Ca 0.04 0.40 -0.04 0.00 0.04 0.00 0.00 61.00 61.44 1jof s PRO 113 Cb -0.13 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 1jof s PRO 113 CO -0.11 -1.36 0.12 0.12 0.04 0.00 0.00 177.00 175.81 1jof s PHE 114 N -3.37 0.69 0.00 0.56 5.36 0.95 -4.42 117.98 117.75 1jof s PHE 114 Ca 0.60 -1.07 0.00 0.00 -0.96 0.00 0.00 56.93 55.50 1jof s PHE 114 Cb -0.12 -0.34 0.00 0.00 -0.34 0.00 0.00 43.02 42.22 1jof s PHE 114 CO 0.52 -0.57 0.00 0.66 -1.46 0.00 0.00 175.22 174.36 1jof n TYR 115 N -0.12 0.00 -1.64 10.12 4.02 -1.26 -1.83 117.16 126.45 1jof n TYR 115 Ca -0.07 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.51 1jof n TYR 115 Cb 0.63 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 40.00 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 2.97 -1.49 -0.72 1.02 -1.26 -3.87 119.74 116.39 1jof s LYS 116 Ca 0.00 1.01 -0.08 0.00 0.02 0.00 0.00 55.97 56.92 1jof s LYS 116 Cb 0.00 -1.99 0.06 0.00 -0.52 0.00 0.00 37.83 35.38 1jof s LYS 116 CO 0.00 -1.07 0.71 1.19 -0.92 0.00 0.00 175.35 175.26 1jof n PHE 117 N -2.95 -1.91 -1.18 3.18 3.01 -1.26 -4.27 117.46 112.09 1jof n PHE 117 Ca 0.08 0.82 0.09 0.00 1.01 0.00 0.00 57.45 59.45 1jof n PHE 117 Cb 0.53 -3.77 0.16 0.00 -0.01 0.00 0.00 39.48 36.39 1jof n PHE 117 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1jof n ALA 118 N -4.45 2.56 0.44 4.37 0.00 -1.25 -4.46 120.51 117.71 1jof n ALA 118 Ca -0.13 -2.76 0.00 0.00 0.00 0.00 0.00 53.44 50.55 1jof n ALA 118 Cb 0.60 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.67 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 -1.36 0.66 3.13 0.00 0.00 -1.26 -4.60 105.19 101.75 1jof n GLY 119 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.10 1jof n GLY 119 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jof s TYR 120 N -0.99 0.65 0.26 1.61 1.51 -1.26 -1.35 117.35 117.78 1jof s TYR 120 Ca 0.00 -1.12 0.08 0.00 -1.01 0.00 0.00 57.07 55.02 1jof s TYR 120 Cb 0.00 -0.41 -0.04 0.00 -0.11 0.00 0.00 41.96 41.40 1jof s TYR 120 CO 0.00 -0.45 0.15 0.20 -1.11 0.00 0.00 175.55 174.34 1jof s GLY 121 N -2.97 1.48 -0.13 0.71 0.00 0.30 -4.38 107.32 102.33 1jof s GLY 121 Ca 0.15 -1.48 0.02 0.00 0.00 0.00 0.00 44.72 43.40 1jof s GLY 121 CO -0.05 -1.53 -0.17 -1.31 0.00 0.00 0.00 173.10 170.05 1jof s ASN 122 N -3.81 2.67 -0.13 1.64 0.02 0.07 -2.73 114.94 112.67 1jof s ASN 122 Ca 0.33 -0.49 -0.02 0.00 -1.02 0.00 0.00 52.86 51.65 1jof s ASN 122 Cb -0.07 -1.21 -0.03 0.00 0.02 0.00 0.00 41.25 39.96 1jof s ASN 122 CO 0.24 0.01 -0.04 -0.69 0.02 0.00 0.00 177.10 176.64 1jof s VAL 123 N 1.08 3.87 -0.04 1.60 1.01 0.13 -0.19 120.40 127.87 1jof s VAL 123 Ca -0.03 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 61.62 1jof s VAL 123 Cb -0.14 -2.66 -0.01 0.00 0.00 0.00 0.00 36.38 33.56 1jof s VAL 123 CO -0.04 0.53 -0.20 -0.36 0.00 0.00 0.00 175.10 175.03 1jof s PHE 124 N -0.04 1.91 0.56 5.22 0.40 0.17 -1.36 117.98 124.84 1jof s PHE 124 Ca 0.01 -0.48 -0.04 0.00 -0.60 0.00 0.00 56.93 55.82 1jof s PHE 124 Cb -0.13 -1.26 0.01 0.00 0.51 0.00 0.00 43.02 42.15 1jof s PHE 124 CO 0.03 -0.12 0.84 -1.54 0.70 0.00 0.00 175.22 175.12 1jof s SER 125 N -0.21 5.55 0.20 1.36 1.04 -0.24 -1.05 113.70 120.35 1jof s SER 125 Ca 0.01 0.51 0.10 0.00 0.48 0.00 0.00 55.95 57.04 1jof s SER 125 Cb -0.11 -1.52 -0.04 0.00 0.10 0.00 0.00 66.02 64.45 1jof s SER 125 CO 0.01 -1.03 -0.19 0.68 0.98 0.00 0.00 173.24 173.69 1jof s VAL 126 N -2.88 2.03 0.94 5.02 -7.23 -1.26 -0.67 120.40 116.34 1jof s VAL 126 Ca 0.53 -2.06 -0.13 0.00 -1.81 0.00 0.00 61.98 58.51 1jof s VAL 126 Cb -0.10 -2.01 0.15 0.00 0.56 0.00 0.00 36.38 34.99 1jof s VAL 126 CO 0.43 -0.32 1.16 -0.94 -0.31 0.00 0.00 175.10 175.11 1jof s SER 127 N -2.89 3.28 0.59 4.85 1.04 0.16 -4.79 113.70 115.94 1jof s SER 127 Ca 0.20 0.86 0.34 0.00 0.48 0.00 0.00 55.95 57.82 1jof s SER 127 Cb -0.05 -1.35 1.83 0.00 0.10 0.00 0.00 66.02 66.55 1jof s SER 127 CO 0.09 -2.68 2.02 1.05 0.98 0.00 0.00 173.24 174.70 1jof h GLU 128 N -1.59 0.00 -0.03 4.02 9.09 -2.01 0.18 114.58 124.24 1jof h GLU 128 Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.92 1jof h GLU 128 Cb 1.32 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.42 1jof h GLU 128 CO 0.57 0.00 -0.01 0.25 0.05 0.00 0.00 179.01 179.87 1jof n THR 129 N -2.81 0.00 -0.60 -1.06 -2.24 -1.26 -4.96 114.28 101.35 1jof n THR 129 Ca -0.02 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 1jof n THR 129 Cb 0.20 1.28 0.00 0.00 -2.10 0.00 0.00 70.33 69.71 1jof n THR 129 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jof n GLY 130 N 1.32 0.66 3.80 3.38 0.00 0.63 -4.89 105.19 110.08 1jof n GLY 130 Ca 0.15 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.78 4.44 -0.24 1.61 2.20 -1.26 -4.70 119.74 121.01 1jof s LYS 131 Ca 0.00 1.14 -0.28 0.00 -0.36 0.00 0.00 55.97 56.47 1jof s LYS 131 Cb 0.00 -2.80 -0.05 0.00 -1.51 0.00 0.00 37.83 33.47 1jof s LYS 131 CO 0.00 0.31 2.17 -0.51 -0.36 0.00 0.00 175.35 176.96 1jof s LEU 132 N -2.08 3.44 0.00 5.43 1.43 -1.26 -0.67 118.68 124.97 1jof s LEU 132 Ca 0.48 1.79 0.00 0.00 -1.03 0.00 0.00 54.13 55.37 1jof s LEU 132 Cb -0.17 -3.49 0.00 0.00 0.03 0.00 0.00 46.19 42.56 1jof s LEU 132 CO 0.22 -1.96 0.00 1.21 0.23 0.00 0.00 176.35 176.05 1jof n GLU 133 N 8.73 0.00 -3.80 1.70 4.07 0.15 -4.88 120.64 126.62 1jof n GLU 133 Ca 0.29 0.38 -0.12 0.00 -0.06 0.00 0.00 57.16 57.64 1jof n GLU 133 Cb 0.45 -0.87 -0.11 0.00 -0.06 0.00 0.00 31.44 30.85 1jof n GLU 133 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 1jof s LYS 134 N -0.96 0.37 -0.59 5.31 2.20 -1.22 -4.97 119.74 119.88 1jof s LYS 134 Ca 0.00 0.14 -0.27 0.00 -0.36 0.00 0.00 55.97 55.48 1jof s LYS 134 Cb 0.00 0.17 0.00 0.00 -1.51 0.00 0.00 37.83 36.49 1jof s LYS 134 CO 0.00 -0.07 1.59 1.21 -0.36 0.00 0.00 175.35 177.73 1jof s ASN 135 N -0.32 5.79 0.10 1.43 3.84 -1.26 -1.07 114.94 123.44 1jof s ASN 135 Ca -0.04 0.28 0.25 0.00 0.21 0.00 0.00 52.86 53.55 1jof s ASN 135 Cb -0.03 -2.54 0.50 0.00 -0.55 0.00 0.00 41.25 38.63 1jof s ASN 135 CO 0.01 -1.98 1.44 1.33 -2.79 0.00 0.00 177.10 175.11 1jof n VAL 136 N 6.96 0.29 -3.63 -5.21 0.24 -0.46 -4.94 118.33 111.58 1jof n VAL 136 Ca 0.15 -0.20 -0.10 0.00 -2.04 0.00 0.00 64.34 62.15 1jof n VAL 136 Cb 0.50 -0.14 -0.07 0.00 -1.47 0.00 0.00 33.84 32.66 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 -3.11 0.55 -0.47 7.34 0.74 -1.21 -5.01 119.66 118.49 1jof s GLN 137 Ca 0.08 0.63 0.04 0.00 0.05 0.00 0.00 55.36 56.15 1jof s GLN 137 Cb 0.14 0.27 0.12 0.00 1.10 0.00 0.00 33.01 34.65 1jof s GLN 137 CO 0.69 -0.07 0.21 -0.80 -0.55 0.00 0.00 175.29 174.77 1jof s ASN 138 N 0.19 4.27 0.21 6.67 0.01 -1.26 -0.69 114.94 124.33 1jof s ASN 138 Ca 0.03 -2.75 -0.22 0.00 -0.71 0.00 0.00 52.86 49.21 1jof s ASN 138 Cb -0.05 -1.51 -0.08 0.00 0.41 0.00 0.00 41.25 40.02 1jof s ASN 138 CO -0.05 -0.27 0.75 -0.72 -1.51 0.00 0.00 177.10 175.30 1jof s TYR 139 N 0.09 3.73 0.18 2.20 -0.85 -1.11 -4.80 117.35 116.79 1jof s TYR 139 Ca 0.16 1.48 -0.06 0.00 -0.52 0.00 0.00 57.07 58.13 1jof s TYR 139 Cb -0.24 -2.68 -0.06 0.00 0.38 0.00 0.00 41.96 39.36 1jof s TYR 139 CO -0.02 0.39 0.44 -1.83 -1.52 0.00 0.00 175.55 173.00 1jof s GLU 140 N -1.71 3.67 0.00 -3.49 -1.05 -1.26 -0.54 118.70 114.32 1jof s GLU 140 Ca 0.41 0.01 0.00 0.00 -0.15 0.00 0.00 54.97 55.24 1jof s GLU 140 Cb -0.19 -2.78 0.00 0.00 -0.44 0.00 0.00 34.13 30.73 1jof s GLU 140 CO 0.23 0.41 0.00 0.66 0.95 0.00 0.00 175.26 177.50 1jof n TYR 141 N -0.07 0.00 -3.95 4.83 4.02 -0.46 -4.94 117.16 116.59 1jof n TYR 141 Ca -0.02 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.78 1jof n TYR 141 Cb 0.52 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.76 1jof n TYR 141 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 1jof s GLN 142 N 1.33 0.97 0.23 -0.72 -2.07 -1.25 -5.03 119.66 113.11 1jof s GLN 142 Ca 0.00 -1.13 -0.17 0.00 -1.82 0.00 0.00 55.36 52.24 1jof s GLN 142 Cb 0.00 0.34 0.24 0.00 -1.09 0.00 0.00 33.01 32.50 1jof s GLN 142 CO 0.00 -0.32 1.56 1.49 -1.32 0.00 0.00 175.29 176.70 1jof h GLU 143 N 2.71 -0.03 -0.28 9.60 4.81 -1.98 -0.61 114.58 128.79 1jof h GLU 143 Ca -0.33 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 58.98 1jof h GLU 143 Cb 1.21 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 1jof h GLU 143 CO 0.54 -0.02 0.28 -0.97 -0.73 0.00 0.00 179.01 178.11 1jof h ASN 144 N -0.03 0.00 -3.33 1.04 -1.24 -1.96 -3.36 115.58 106.69 1jof h ASN 144 Ca 0.34 0.00 -0.58 0.00 0.71 0.00 0.00 56.30 56.77 1jof h ASN 144 Cb 0.60 0.00 0.16 0.00 0.73 0.00 0.00 38.32 39.81 1jof h ASN 144 CO -0.92 0.00 0.04 0.41 -1.29 0.00 0.00 177.43 175.66 1jof n THR 145 N -3.90 3.09 -2.89 -3.57 -1.04 -0.24 -4.01 114.28 101.72 1jof n THR 145 Ca 0.04 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.05 61.44 1jof n THR 145 Cb 0.43 -1.06 -0.00 0.00 -1.82 0.00 0.00 70.33 67.88 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 1.36 0.41 3.72 3.41 0.00 -1.26 -4.30 105.19 108.53 1jof n GLY 146 Ca 0.12 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 0.45 3.62 -0.18 -0.61 -1.09 -1.26 -1.04 121.20 121.10 1jof s ILE 147 Ca 0.32 1.25 0.02 0.00 -2.23 0.00 0.00 60.65 60.00 1jof s ILE 147 Cb 0.11 -3.80 0.01 0.00 -1.58 0.00 0.00 42.46 37.20 1jof s ILE 147 CO -0.15 0.14 0.45 1.57 -1.23 0.00 0.00 174.94 175.72 1jof n HIS 148 N 3.31 0.00 -3.71 3.97 -0.00 -0.64 -4.76 115.22 113.39 1jof n HIS 148 Ca 0.08 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.26 1jof n HIS 148 Cb 0.44 0.00 -0.00 0.00 -0.12 0.00 0.00 29.99 30.31 1jof n HIS 148 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 1jof s GLY 149 N -0.35 -0.30 0.00 1.57 0.00 -1.14 -4.73 107.32 102.38 1jof s GLY 149 Ca 0.02 0.41 0.00 0.00 0.00 0.00 0.00 44.72 45.15 1jof s GLY 149 CO 0.03 0.96 0.00 1.55 0.00 0.00 0.00 173.10 175.64 1jof n VAL 151 N -0.56 0.00 -3.20 1.40 3.14 -0.73 -0.85 118.33 117.53 1jof n VAL 151 Ca -0.06 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 61.07 1jof n VAL 151 Cb 0.62 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 33.39 1jof n VAL 151 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 1jof s PHE 152 N -1.32 3.51 0.69 1.45 0.40 -1.26 -1.20 117.98 120.25 1jof s PHE 152 Ca 0.00 0.48 -0.11 0.00 -0.60 0.00 0.00 56.93 56.70 1jof s PHE 152 Cb 0.00 -2.00 0.01 0.00 0.51 0.00 0.00 43.02 41.53 1jof s PHE 152 CO 0.00 0.03 1.08 0.16 0.70 0.00 0.00 175.22 177.19 1jof s ASP 153 N -3.99 5.56 0.55 1.36 1.47 -0.67 -4.88 116.67 116.07 1jof s ASP 153 Ca 0.42 1.23 0.37 0.00 1.18 0.00 0.00 52.55 55.75 1jof s ASP 153 Cb -0.10 -2.08 1.54 0.00 -0.34 0.00 0.00 42.92 41.94 1jof s ASP 153 CO 0.38 -1.28 1.78 -0.65 0.68 0.00 0.00 175.17 176.07 1jof h PRO 154 N -0.61 0.00 0.00 2.11 0.11 -1.86 0.51 132.00 132.26 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 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1jof h PRO 154 CO 0.63 0.00 -0.14 1.15 -0.21 0.00 0.00 178.00 179.43 1jof h THR 155 N 0.00 0.00 -5.27 -1.15 2.02 -1.95 -3.48 112.91 103.08 1jof h THR 155 Ca 0.57 -0.58 -0.33 0.00 0.77 0.00 0.00 66.41 66.84 1jof h THR 155 Cb 2.32 1.48 0.14 0.00 -1.74 0.00 0.00 68.15 70.36 1jof h THR 155 CO -0.01 0.00 -0.64 -0.62 0.37 0.00 0.00 175.52 174.62 1jof n GLU 156 N -2.38 -6.52 -0.01 6.66 1.02 0.17 -4.90 120.64 114.68 1jof n GLU 156 Ca 0.05 0.74 0.01 0.00 -0.02 0.00 0.00 57.16 57.95 1jof n GLU 156 Cb 0.45 -5.50 -0.04 0.00 -0.02 0.00 0.00 31.44 26.33 1jof n GLU 156 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1jof n THR 157 N -4.28 0.09 -4.50 2.62 -1.04 -1.26 -4.78 114.28 101.14 1jof n THR 157 Ca -0.12 -0.15 -0.22 0.00 -2.04 0.00 0.00 64.05 61.52 1jof n THR 157 Cb 0.60 0.05 -0.16 0.00 -1.82 0.00 0.00 70.33 69.00 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 -2.32 1.14 -0.16 -1.42 1.51 -1.26 -0.54 117.35 114.30 1jof s TYR 158 Ca -0.02 -0.30 -0.00 0.00 -1.01 0.00 0.00 57.07 55.74 1jof s TYR 158 Cb 0.03 -0.80 -0.00 0.00 -0.11 0.00 0.00 41.96 41.08 1jof s TYR 158 CO 0.23 -0.12 -0.14 -1.17 -1.11 0.00 0.00 175.55 173.24 1jof s LEU 159 N 0.17 2.51 -0.12 -1.29 2.96 0.24 -1.67 118.68 121.48 1jof s LEU 159 Ca -0.03 -0.46 -0.02 0.00 -0.22 0.00 0.00 54.13 53.39 1jof s LEU 159 Cb -0.09 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 1jof s LEU 159 CO 0.01 0.08 -0.04 -0.31 -1.32 0.00 0.00 176.35 174.76 1jof s TYR 160 N 0.87 3.02 -0.04 5.38 1.51 -0.34 -0.72 117.35 127.04 1jof s TYR 160 Ca -0.04 -0.16 0.06 0.00 -1.01 0.00 0.00 57.07 55.93 1jof s TYR 160 Cb -0.15 -1.88 -0.01 0.00 -0.11 0.00 0.00 41.96 39.81 1jof s TYR 160 CO -0.01 0.12 -0.23 -1.12 -1.11 0.00 0.00 175.55 173.20 1jof s SER 161 N -0.09 2.79 -0.47 2.29 0.01 -0.49 -1.77 113.70 115.97 1jof s SER 161 Ca 0.02 -0.45 -0.20 0.00 1.31 0.00 0.00 55.95 56.63 1jof s SER 161 Cb -0.13 -0.56 0.04 0.00 0.21 0.00 0.00 66.02 65.58 1jof s SER 161 CO 0.03 0.25 0.65 0.00 0.41 0.00 0.00 173.24 174.57 1jof s ALA 162 N -0.31 3.35 -0.66 1.44 0.00 -0.03 -1.39 121.76 124.16 1jof s ALA 162 Ca 0.02 -1.44 -0.18 0.00 0.00 0.00 0.00 51.96 50.37 1jof s ALA 162 Cb -0.11 -3.34 0.13 0.00 0.00 0.00 0.00 23.12 19.80 1jof s ALA 162 CO 0.01 -1.91 0.74 0.34 0.00 0.00 0.00 175.76 174.94 1jof s ASP 163 N 2.31 6.32 0.05 0.00 -1.08 -0.04 -1.62 116.67 122.62 1jof s ASP 163 Ca 0.20 -1.74 -0.27 0.00 -0.52 0.00 0.00 52.55 50.22 1jof s ASP 163 Cb -0.16 -2.29 -0.17 0.00 -1.46 0.00 0.00 42.92 38.84 1jof s ASP 163 CO 0.16 -1.00 1.53 0.25 0.52 0.00 0.00 175.17 176.63 1jof h LEU 164 N 9.56 -0.32 -0.29 -1.34 6.46 0.17 -0.90 115.31 128.65 1jof h LEU 164 Ca -0.19 -0.08 -0.14 0.00 -0.12 0.00 0.00 57.88 57.36 1jof h LEU 164 Cb 1.07 0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 41.07 1jof h LEU 164 CO 1.04 -0.11 -0.66 0.71 -0.62 0.00 0.00 178.44 178.81 1jof h THR 165 N -0.51 1.23 -0.01 1.05 1.35 -1.85 -3.03 112.91 111.14 1jof h THR 165 Ca -0.04 -2.46 0.00 0.00 -0.55 0.00 0.00 66.41 63.36 1jof h THR 165 Cb 0.38 2.43 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 1jof h THR 165 CO 0.06 0.64 -0.14 0.00 -0.25 0.00 0.00 175.52 175.84 1jof n ALA 166 N -2.31 2.85 -3.67 6.62 0.00 -1.24 -4.94 120.51 117.82 1jof n ALA 166 Ca 0.00 -0.40 -0.22 0.00 0.00 0.00 0.00 53.44 52.82 1jof n ALA 166 Cb 0.74 -1.18 0.04 0.00 0.00 0.00 0.00 19.45 19.05 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 -0.39 -2.17 -3.76 0.00 5.15 -0.39 -4.94 115.26 108.75 1jof n ASN 167 Ca 0.15 -0.85 -0.10 0.00 -0.60 0.00 0.00 54.58 53.19 1jof n ASN 167 Cb 0.34 -4.01 -0.04 0.00 -0.53 0.00 0.00 39.78 35.53 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 -5.87 1.70 -0.13 1.20 -2.85 -0.89 -0.99 119.74 111.91 1jof s LYS 168 Ca 0.11 -1.33 0.02 0.00 -1.00 0.00 0.00 55.97 53.77 1jof s LYS 168 Cb -0.03 0.49 0.01 0.00 -2.06 0.00 0.00 37.83 36.24 1jof s LYS 168 CO 0.82 -0.72 -0.21 -0.51 0.10 0.00 0.00 175.35 174.82 1jof s LEU 169 N -3.05 2.18 0.11 2.77 1.43 0.17 -0.86 118.68 121.44 1jof s LEU 169 Ca 0.22 -0.57 0.03 0.00 -1.03 0.00 0.00 54.13 52.79 1jof s LEU 169 Cb -0.02 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.70 1jof s LEU 169 CO 0.11 0.10 0.13 0.26 0.23 0.00 0.00 176.35 177.18 1jof s TRP 170 N 0.70 3.23 -0.09 0.29 0.52 -0.48 -1.10 118.94 122.00 1jof s TRP 170 Ca -0.09 0.07 0.03 0.00 0.02 0.00 0.00 56.10 56.12 1jof s TRP 170 Cb -0.16 -1.60 0.01 0.00 -1.15 0.00 0.00 33.47 30.57 1jof s TRP 170 CO 0.01 0.53 -0.17 0.99 0.02 0.00 0.00 176.95 178.32 1jof s THR 171 N -1.55 1.57 0.10 2.01 2.01 0.66 -1.40 115.64 119.04 1jof s THR 171 Ca 0.31 -0.72 0.07 0.00 0.31 0.00 0.00 61.69 61.66 1jof s THR 171 Cb -0.11 -1.40 -0.03 0.00 0.01 0.00 0.00 72.50 70.96 1jof s THR 171 CO 0.24 0.45 -0.17 -1.00 -0.69 0.00 0.00 174.62 173.45 1jof s HIS 172 N 0.67 1.52 -0.15 4.92 3.76 0.11 -0.86 115.29 125.25 1jof s HIS 172 Ca -0.13 -0.46 -0.08 0.00 -0.15 0.00 0.00 55.06 54.24 1jof s HIS 172 Cb -0.16 -0.83 -0.04 0.00 1.11 0.00 0.00 32.58 32.66 1jof s HIS 172 CO 0.04 0.15 0.14 -0.98 -0.85 0.00 0.00 174.74 173.24 1jof s ARG 173 N -2.00 3.74 -0.29 1.40 3.03 0.56 -0.59 118.95 124.81 1jof s ARG 173 Ca 0.04 -0.15 -0.12 0.00 2.03 0.00 0.00 55.73 57.53 1jof s ARG 173 Cb -0.09 -3.28 -0.04 0.00 -1.03 0.00 0.00 34.95 30.50 1jof s ARG 173 CO 0.03 0.59 0.23 0.21 -1.13 0.00 0.00 175.30 175.24 1jof s LYS 174 N -0.48 3.91 0.79 3.89 2.20 0.30 -1.53 119.74 128.81 1jof s LYS 174 Ca 0.13 -0.29 -0.11 0.00 -0.36 0.00 0.00 55.97 55.34 1jof s LYS 174 Cb -0.12 -3.68 0.06 0.00 -1.51 0.00 0.00 37.83 32.59 1jof s LYS 174 CO 0.02 -0.23 1.10 -0.51 -0.36 0.00 0.00 175.35 175.37 1jof s LEU 175 N 1.82 2.63 0.47 5.43 1.43 0.20 -4.82 118.68 125.85 1jof s LEU 175 Ca 0.09 1.26 0.16 0.00 -1.03 0.00 0.00 54.13 54.60 1jof s LEU 175 Cb -0.16 -3.89 1.14 0.00 0.03 0.00 0.00 46.19 43.31 1jof s LEU 175 CO 0.11 -1.88 2.03 0.00 0.23 0.00 0.00 176.35 176.84 1jof h ALA 176 N -1.03 2.08 0.00 4.21 0.00 -1.98 -0.24 119.26 122.30 1jof h ALA 176 Ca -0.47 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1jof h ALA 176 Cb 1.27 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1jof h ALA 176 CO 0.60 -0.17 -0.01 0.66 0.00 0.00 0.00 179.25 180.34 1jof h SER 177 N 0.24 0.00 0.00 0.00 4.64 -1.97 -3.42 113.55 113.04 1jof h SER 177 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1jof h SER 177 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1jof h SER 177 CO -0.04 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.54 1jof n GLY 178 N -0.45 2.21 3.83 -0.77 0.00 -0.10 -4.84 105.19 105.07 1jof n GLY 178 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.56 3.40 0.47 1.61 2.02 -1.26 -4.68 118.70 119.70 1jof s GLU 179 Ca 0.00 0.95 0.06 0.00 0.02 0.00 0.00 54.97 56.00 1jof s GLU 179 Cb 0.00 -2.05 -0.01 0.00 0.10 0.00 0.00 34.13 32.17 1jof s GLU 179 CO 0.00 -0.73 0.30 0.14 0.02 0.00 0.00 175.26 174.99 1jof s VAL 180 N -2.88 2.07 -0.22 2.63 -7.23 -1.26 0.59 120.40 114.10 1jof s VAL 180 Ca 0.58 -1.56 -0.12 0.00 -1.81 0.00 0.00 61.98 59.07 1jof s VAL 180 Cb -0.13 -2.63 0.07 0.00 0.56 0.00 0.00 36.38 34.25 1jof s VAL 180 CO 0.46 0.00 0.53 -0.70 -0.31 0.00 0.00 175.10 175.09 1jof s GLU 181 N -4.09 0.54 0.43 4.82 2.12 -0.58 -4.90 118.70 117.03 1jof s GLU 181 Ca 0.38 0.98 -0.26 0.00 0.36 0.00 0.00 54.97 56.43 1jof s GLU 181 Cb -0.00 0.06 -0.09 0.00 0.26 0.00 0.00 34.13 34.35 1jof s GLU 181 CO 0.22 -0.15 1.40 -0.11 -0.54 0.00 0.00 175.26 176.08 1jof n LEU 182 N 4.24 4.75 -0.02 2.70 7.94 -1.26 -0.32 117.00 135.03 1jof n LEU 182 Ca -0.22 1.14 -0.05 0.00 -1.11 0.00 0.00 56.01 55.78 1jof n LEU 182 Cb 0.57 -1.58 -0.02 0.00 0.53 0.00 0.00 43.42 42.92 1jof n LEU 182 CO 0.04 -0.22 -0.60 0.52 -1.11 0.00 0.00 177.39 176.02 1jof n VAL 183 N -0.07 0.41 -2.71 1.96 0.31 -0.04 -4.75 118.33 113.43 1jof n VAL 183 Ca 0.05 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1jof n VAL 183 Cb 0.40 -1.59 0.00 0.00 -0.91 0.00 0.00 33.84 31.74 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 2.75 -1.30 3.47 2.92 0.00 -0.94 -5.00 105.19 107.09 1jof n GLY 184 Ca -0.09 -0.91 -0.09 0.00 0.00 0.00 0.00 46.02 44.92 1jof n GLY 184 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jof s SER 185 N -3.39 -0.11 -0.05 1.61 1.04 -1.26 -0.25 113.70 111.29 1jof s SER 185 Ca 0.00 -0.73 -0.05 0.00 0.48 0.00 0.00 55.95 55.66 1jof s SER 185 Cb 0.00 0.53 0.02 0.00 0.10 0.00 0.00 66.02 66.66 1jof s SER 185 CO 0.00 -1.01 0.14 -0.69 0.98 0.00 0.00 173.24 172.66 1jof s VAL 186 N -3.94 -0.00 0.49 5.02 1.01 -0.26 -4.96 120.40 117.75 1jof s VAL 186 Ca 0.15 0.02 -0.21 0.00 0.00 0.00 0.00 61.98 61.94 1jof s VAL 186 Cb 0.01 -0.20 -0.08 0.00 0.00 0.00 0.00 36.38 36.10 1jof s VAL 186 CO 0.01 0.01 1.06 -1.81 0.00 0.00 0.00 175.10 174.37 1jof s ASP 187 N 0.18 6.24 0.80 3.32 1.01 -1.26 -0.66 116.67 126.31 1jof s ASP 187 Ca -0.01 2.01 -0.13 0.00 0.71 0.00 0.00 52.55 55.13 1jof s ASP 187 Cb -0.02 -2.57 0.08 0.00 1.01 0.00 0.00 42.92 41.42 1jof s ASP 187 CO -0.00 -0.85 1.20 0.00 0.21 0.00 0.00 175.17 175.72 1jof s ALA 188 N -1.89 1.86 0.28 5.23 0.00 -0.16 -4.83 121.76 122.25 1jof s ALA 188 Ca 0.67 0.81 0.01 0.00 0.00 0.00 0.00 51.96 53.45 1jof s ALA 188 Cb -0.19 -3.48 0.62 0.00 0.00 0.00 0.00 23.12 20.08 1jof s ALA 188 CO 0.23 -2.25 1.72 -1.35 0.00 0.00 0.00 175.76 174.11 1jof h PRO 189 N -0.89 0.48 -6.32 0.00 0.11 -1.94 -3.42 132.00 120.01 1jof h PRO 189 Ca -0.46 -0.03 -0.61 0.00 0.11 0.00 0.00 66.00 65.01 1jof h PRO 189 Cb 1.29 -0.11 -0.24 0.00 0.11 0.00 0.00 31.00 32.05 1jof h PRO 189 CO 0.46 0.31 -0.85 0.34 -0.21 0.00 0.00 178.00 178.06 1jof s ASP 190 N -5.29 2.72 0.57 -2.05 -1.08 -1.26 -5.03 116.67 105.25 1jof s ASP 190 Ca -0.12 -0.61 0.26 0.00 -0.52 0.00 0.00 52.55 51.56 1jof s ASP 190 Cb 0.23 -0.20 1.67 0.00 -1.46 0.00 0.00 42.92 43.16 1jof s ASP 190 CO 0.78 0.15 2.21 -0.65 0.52 0.00 0.00 175.17 178.18 1jof h PRO 191 N 4.50 0.00 -0.36 4.34 0.11 -1.97 -1.89 132.00 136.72 1jof h PRO 191 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 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 0.42 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.62 1jof n GLY 192 N -1.39 0.92 0.29 -0.55 0.00 -1.26 -4.56 105.19 98.64 1jof n GLY 192 Ca -0.02 -0.49 -0.10 0.00 0.00 0.00 0.00 46.02 45.40 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 2.68 -0.57 -4.49 1.61 3.32 -1.68 -2.49 116.42 114.81 1jof h ASP 193 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1jof h ASP 193 Cb 0.60 0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1jof h ASP 193 CO 0.00 -0.19 -0.44 1.41 -1.72 0.00 0.00 179.24 178.30 1jof n HIS 194 N -5.04 -2.45 -1.69 4.55 8.25 -1.26 -1.26 115.22 116.32 1jof n HIS 194 Ca -0.08 1.02 -0.44 0.00 -0.26 0.00 0.00 57.72 57.96 1jof n HIS 194 Cb 0.27 -3.22 -0.04 0.00 1.12 0.00 0.00 29.99 28.12 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 -0.09 2.40 0.00 -0.41 -0.02 -1.26 -0.26 135.00 135.36 1jof n PRO 195 Ca 0.05 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1jof n PRO 195 Cb 0.20 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.02 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 3.53 3.39 -3.83 -0.52 0.63 -0.25 -1.37 116.66 118.23 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 0.31 -0.95 -0.09 0.00 0.45 0.00 0.00 32.46 32.19 1jof n ARG 196 CO 0.00 0.00 0.00 -0.46 -2.51 0.00 0.00 177.63 174.66 1jof s TRP 197 N -1.89 0.00 -0.05 -0.14 -0.11 -1.15 -2.88 118.94 112.73 1jof s TRP 197 Ca 0.00 -0.12 -0.03 0.00 1.22 0.00 0.00 56.10 57.17 1jof s TRP 197 Cb 0.00 -0.01 0.02 0.00 -1.50 0.00 0.00 33.47 31.99 1jof s TRP 197 CO 0.00 -0.38 0.11 0.14 -4.62 0.00 0.00 176.95 172.20 1jof s VAL 198 N -1.97 -0.03 0.00 5.86 -7.23 -1.26 0.03 120.40 115.81 1jof s VAL 198 Ca -0.10 0.10 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 1jof s VAL 198 Cb -0.04 -0.17 0.00 0.00 0.56 0.00 0.00 36.38 36.73 1jof s VAL 198 CO -0.01 0.04 0.00 0.00 -0.31 0.00 0.00 175.10 174.82 1jof n ALA 199 N 3.63 0.00 -2.61 1.32 0.00 0.05 -4.50 120.51 118.41 1jof n ALA 199 Ca -0.20 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.03 1jof n ALA 199 Cb 0.55 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.86 1jof n ALA 199 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1jof s HIS 201 N 1.52 1.22 0.59 0.00 2.46 -0.52 -1.30 115.29 119.27 1jof s HIS 201 Ca 0.00 -0.28 0.29 0.00 0.47 0.00 0.00 55.06 55.54 1jof s HIS 201 Cb 0.00 -0.76 1.53 0.00 -0.13 0.00 0.00 32.58 33.22 1jof s HIS 201 CO 0.00 0.00 1.96 -1.35 -2.47 0.00 0.00 174.74 172.89 1jof h PRO 202 N 5.45 0.00 0.00 2.88 0.11 -1.92 0.50 132.00 139.02 1jof h PRO 202 Ca -0.36 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.70 1jof h PRO 202 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1jof h PRO 202 CO 0.47 0.00 -0.28 1.79 -0.21 0.00 0.00 178.00 179.77 1jof h THR 203 N 0.00 0.51 0.00 -1.15 1.35 -1.92 -3.44 112.91 108.25 1jof h THR 203 Ca 0.18 -1.56 0.00 0.00 -0.55 0.00 0.00 66.41 64.48 1jof h THR 203 Cb 0.96 2.12 0.00 0.00 -1.73 0.00 0.00 68.15 69.50 1jof h THR 203 CO -0.00 0.27 0.00 0.61 -0.25 0.00 0.00 175.52 176.15 1jof n GLY 204 N 0.91 0.75 0.07 5.82 0.00 0.17 -4.93 105.19 107.99 1jof n GLY 204 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 1jof n GLY 204 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1jof h ASN 205 N 0.00 0.13 -4.14 1.61 2.35 -1.84 -3.43 115.58 110.26 1jof h ASN 205 Ca 0.00 -0.14 -0.39 0.00 -0.55 0.00 0.00 56.30 55.21 1jof h ASN 205 Cb 0.00 -0.04 -0.18 0.00 0.05 0.00 0.00 38.32 38.15 1jof h ASN 205 CO 0.00 1.11 -0.75 -0.31 -1.65 0.00 0.00 177.43 175.83 1jof s TYR 206 N -2.69 1.31 0.01 1.19 1.51 -1.26 -0.65 117.35 116.77 1jof s TYR 206 Ca -0.01 -0.57 0.02 0.00 -1.01 0.00 0.00 57.07 55.49 1jof s TYR 206 Cb 0.09 -0.69 -0.01 0.00 -0.11 0.00 0.00 41.96 41.24 1jof s TYR 206 CO 0.84 0.11 -0.06 -1.17 -1.11 0.00 0.00 175.55 174.16 1jof s LEU 207 N -2.42 2.06 -0.13 -1.29 0.20 -0.29 -1.43 118.68 115.37 1jof s LEU 207 Ca 0.08 -0.18 0.01 0.00 0.69 0.00 0.00 54.13 54.73 1jof s LEU 207 Cb -0.05 -0.24 -0.01 0.00 -0.43 0.00 0.00 46.19 45.47 1jof s LEU 207 CO 0.02 0.01 -0.17 -0.31 -0.29 0.00 0.00 176.35 175.61 1jof s TYR 208 N -0.37 2.72 -0.20 5.38 1.51 -0.42 -1.02 117.35 124.95 1jof s TYR 208 Ca -0.00 -0.91 -0.03 0.00 -1.01 0.00 0.00 57.07 55.12 1jof s TYR 208 Cb -0.04 -1.81 -0.00 0.00 -0.11 0.00 0.00 41.96 40.00 1jof s TYR 208 CO -0.00 -0.37 -0.08 0.00 -1.11 0.00 0.00 175.55 174.00 1jof s ALA 209 N 0.50 2.72 0.54 3.71 0.00 -0.53 -0.77 121.76 127.92 1jof s ALA 209 Ca -0.12 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.69 1jof s ALA 209 Cb -0.16 -1.57 0.00 0.00 0.00 0.00 0.00 23.12 21.39 1jof s ALA 209 CO 0.05 -0.35 0.00 -0.11 0.00 0.00 0.00 175.76 175.35 1jof n LEU 210 N 4.64 0.00 0.09 0.00 0.00 0.10 -0.63 117.00 121.21 1jof n LEU 210 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.82 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 -0.16 -0.01 1.21 0.00 0.00 0.00 177.39 178.71 1jof n GLU 212 N -0.32 0.00 0.15 1.96 2.13 0.63 -1.10 120.64 124.10 1jof n GLU 212 Ca 0.00 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.84 1jof n GLU 212 Cb 0.00 -0.28 0.18 0.00 0.27 0.00 0.00 31.44 31.62 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 0.84 0.00 4.31 0.00 -1.35 -1.66 119.26 121.39 1jof h ALA 213 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1jof h ALA 213 Cb 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1jof h ALA 213 CO 0.00 0.65 0.00 0.78 0.00 0.00 0.00 179.25 180.68 1jof h GLY 214 N 2.48 0.00 -6.44 0.00 0.00 -0.79 -3.46 103.07 94.84 1jof h GLY 214 Ca -0.01 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 1jof h GLY 214 CO 0.07 0.00 -0.92 0.70 0.00 0.00 0.00 176.54 176.38 1jof n ASN 215 N -2.32 -2.68 -3.55 0.19 3.02 -1.13 -4.91 115.26 103.88 1jof n ASN 215 Ca 0.05 -1.05 -0.10 0.00 -0.03 0.00 0.00 54.58 53.45 1jof n ASN 215 Cb 0.39 -3.01 -0.02 0.00 -0.61 0.00 0.00 39.78 36.53 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 -6.43 1.28 -0.18 3.52 1.70 -1.26 -1.26 118.95 116.32 1jof s ARG 216 Ca 0.24 -0.56 -0.07 0.00 -0.47 0.00 0.00 55.73 54.88 1jof s ARG 216 Cb -0.10 0.54 -0.04 0.00 -0.57 0.00 0.00 34.95 34.78 1jof s ARG 216 CO 0.89 -0.57 0.05 0.42 -1.08 0.00 0.00 175.30 175.01 1jof s ILE 217 N -3.62 4.65 -0.06 4.99 -1.09 -0.30 -4.50 121.20 121.27 1jof s ILE 217 Ca 0.05 -0.08 0.02 0.00 -2.23 0.00 0.00 60.65 58.41 1jof s ILE 217 Cb -0.02 -3.09 -0.03 0.00 -1.58 0.00 0.00 42.46 37.74 1jof s ILE 217 CO -0.07 0.46 -0.11 0.00 -1.23 0.00 0.00 174.94 173.99 1jof s GLU 219 N -0.70 4.14 -0.03 0.00 2.12 -0.61 -1.45 118.70 122.17 1jof s GLU 219 Ca 0.11 0.40 0.03 0.00 0.36 0.00 0.00 54.97 55.87 1jof s GLU 219 Cb -0.11 -3.33 -0.00 0.00 0.26 0.00 0.00 34.13 30.95 1jof s GLU 219 CO 0.01 0.42 -0.13 0.71 -0.54 0.00 0.00 175.26 175.72 1jof s TYR 220 N -0.19 1.34 -0.09 5.30 1.51 -0.18 -2.18 117.35 122.86 1jof s TYR 220 Ca 0.24 -0.37 -0.10 0.00 -1.01 0.00 0.00 57.07 55.84 1jof s TYR 220 Cb -0.16 -0.93 -0.05 0.00 -0.11 0.00 0.00 41.96 40.72 1jof s TYR 220 CO 0.11 -0.13 0.23 0.54 -1.11 0.00 0.00 175.55 175.18 1jof s VAL 221 N 0.12 5.35 -0.29 0.71 0.11 0.20 -1.14 120.40 125.45 1jof s VAL 221 Ca -0.03 0.41 -0.21 0.00 -2.93 0.00 0.00 61.98 59.21 1jof s VAL 221 Cb -0.10 -3.50 -0.01 0.00 -1.53 0.00 0.00 36.38 31.24 1jof s VAL 221 CO 0.01 0.59 0.68 -0.63 -3.33 0.00 0.00 175.10 172.43 1jof s ILE 222 N -0.94 4.90 -0.13 7.04 1.01 0.18 -0.18 121.20 133.08 1jof s ILE 222 Ca 0.17 1.02 -0.29 0.00 0.00 0.00 0.00 60.65 61.55 1jof s ILE 222 Cb -0.13 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 1jof s ILE 222 CO 0.07 -0.13 1.61 -0.62 0.00 0.00 0.00 174.94 175.86 1jof s ASP 223 N 1.59 6.57 0.54 3.58 -1.08 -1.26 -4.87 116.67 121.75 1jof s ASP 223 Ca 0.28 1.96 0.32 0.00 -0.52 0.00 0.00 52.55 54.58 1jof s ASP 223 Cb -0.15 -2.53 1.48 0.00 -1.46 0.00 0.00 42.92 40.26 1jof s ASP 223 CO 0.11 -1.04 2.04 1.55 0.52 0.00 0.00 175.17 178.35 1jof h PRO 224 N 9.92 0.00 -0.34 4.34 0.13 -1.96 0.80 132.00 144.90 1jof h PRO 224 Ca -0.36 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.67 1jof h PRO 224 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1jof h PRO 224 CO 0.97 0.07 -0.16 0.00 -0.23 0.00 0.00 178.00 178.65 1jof h ALA 225 N 1.93 0.48 0.00 -0.56 0.00 -2.04 -3.36 119.26 115.70 1jof h ALA 225 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1jof h ALA 225 Cb 0.43 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1jof h ALA 225 CO 0.01 0.39 -1.17 0.25 0.00 0.00 0.00 179.25 178.74 1jof n THR 226 N -4.34 0.00 -1.74 0.00 -2.24 -1.12 -5.27 114.28 99.57 1jof n THR 226 Ca -0.02 -0.21 -0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1jof n THR 226 Cb 0.39 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 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 -1.66 -0.48 -5.09 4.78 8.25 0.28 -5.02 115.22 116.28 1jof n HIS 227 Ca -0.01 0.18 -0.29 0.00 -0.26 0.00 0.00 57.72 57.34 1jof n HIS 227 Cb 0.19 -1.91 -0.16 0.00 1.12 0.00 0.00 29.99 29.23 1jof n HIS 227 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1jof s PRO 229 N -2.79 2.18 -0.11 -0.41 0.04 -1.26 -4.79 135.00 127.86 1jof s PRO 229 Ca 0.00 -0.79 0.04 0.00 0.04 0.00 0.00 61.00 60.29 1jof s PRO 229 Cb -0.00 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1jof s PRO 229 CO 0.12 0.35 -0.23 0.08 0.04 0.00 0.00 177.00 177.35 1jof s VAL 230 N -0.14 2.05 0.15 -0.36 1.01 0.75 -4.92 120.40 118.93 1jof s VAL 230 Ca -0.02 -1.00 -0.31 0.00 0.00 0.00 0.00 61.98 60.65 1jof s VAL 230 Cb -0.12 -1.78 -0.08 0.00 0.00 0.00 0.00 36.38 34.39 1jof s VAL 230 CO 0.03 0.55 1.38 -0.47 0.00 0.00 0.00 175.10 176.59 1jof s TYR 231 N 0.46 3.22 -2.23 5.22 5.04 -1.26 -0.63 117.35 127.17 1jof s TYR 231 Ca -0.16 1.01 0.26 0.00 -2.44 0.00 0.00 57.07 55.74 1jof s TYR 231 Cb -0.17 -3.68 0.61 0.00 0.35 0.00 0.00 41.96 39.07 1jof s TYR 231 CO 0.06 -2.33 1.48 0.25 -1.34 0.00 0.00 175.55 173.68 1jof n THR 232 N 3.48 0.00 -1.01 4.34 -2.24 -0.92 -4.91 114.28 113.02 1jof n THR 232 Ca 0.10 -0.25 -0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1jof n THR 232 Cb 0.42 0.76 -0.00 0.00 -2.10 0.00 0.00 70.33 69.41 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 0.04 0.00 -3.89 4.78 8.25 -1.26 -5.03 115.22 118.10 1jof n HIS 233 Ca 0.14 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.25 1jof n HIS 233 Cb 0.41 -0.24 -0.09 0.00 1.12 0.00 0.00 29.99 31.19 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 -1.93 3.28 0.06 4.41 3.76 -1.26 -5.05 115.29 118.56 1jof s HIS 234 Ca 0.00 0.12 -0.03 0.00 -0.15 0.00 0.00 55.06 55.00 1jof s HIS 234 Cb 0.00 -2.13 -0.03 0.00 1.11 0.00 0.00 32.58 31.53 1jof s HIS 234 CO 0.00 0.15 0.02 -1.54 -0.85 0.00 0.00 174.74 172.52 1jof s SER 235 N 0.51 0.38 0.01 1.40 1.04 -1.26 -1.57 113.70 114.21 1jof s SER 235 Ca 0.05 -0.88 0.01 0.00 0.48 0.00 0.00 55.95 55.62 1jof s SER 235 Cb -0.12 0.23 -0.01 0.00 0.10 0.00 0.00 66.02 66.22 1jof s SER 235 CO 0.00 -0.61 -0.05 -0.36 0.98 0.00 0.00 173.24 173.21 1jof s PHE 236 N -3.72 0.43 0.33 5.02 0.40 -0.49 -4.95 117.98 115.00 1jof s PHE 236 Ca 0.05 -0.19 -0.28 0.00 -0.60 0.00 0.00 56.93 55.92 1jof s PHE 236 Cb 0.06 -0.27 -0.09 0.00 0.51 0.00 0.00 43.02 43.23 1jof s PHE 236 CO -0.10 -0.03 1.13 -1.25 0.70 0.00 0.00 175.22 175.67 1jof s PRO 237 N -0.48 4.41 0.00 0.24 0.04 -1.26 -1.15 135.00 136.80 1jof s PRO 237 Ca -0.02 1.81 0.13 0.00 0.04 0.00 0.00 61.00 62.96 1jof s PRO 237 Cb -0.04 -2.97 0.01 0.00 0.04 0.00 0.00 34.50 31.54 1jof s PRO 237 CO -0.00 0.01 0.75 1.28 0.04 0.00 0.00 177.00 179.07 1jof n LEU 238 N 0.72 1.46 -4.08 -3.56 4.32 -0.39 -4.87 117.00 110.60 1jof n LEU 238 Ca 0.01 -0.79 -0.11 0.00 -0.02 0.00 0.00 56.01 55.10 1jof n LEU 238 Cb 0.46 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.15 1jof n LEU 238 CO 0.52 0.28 -0.39 0.27 -1.22 0.00 0.00 177.39 176.86 1jof s ILE 239 N -1.54 0.49 0.18 -0.08 -4.36 -1.26 -4.59 121.20 110.05 1jof s ILE 239 Ca 0.11 -1.35 -0.33 0.00 -0.26 0.00 0.00 60.65 58.81 1jof s ILE 239 Cb 0.10 -0.93 -0.14 0.00 1.25 0.00 0.00 42.46 42.74 1jof s ILE 239 CO 0.30 -0.59 1.50 -2.65 0.24 0.00 0.00 174.94 173.74 1jof n PRO 240 N 0.95 2.01 -1.69 0.37 -0.02 -1.26 -4.89 135.00 130.47 1jof n PRO 240 Ca -0.19 0.72 -0.44 0.00 -2.02 0.00 0.00 63.50 61.57 1jof n PRO 240 Cb 0.57 -2.44 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 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 2.86 2.44 0.00 0.52 -0.02 -1.26 -1.90 135.00 137.64 1jof n PRO 241 Ca 0.15 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.51 1jof n PRO 241 Cb 0.29 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.10 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 3.46 2.59 3.69 -1.23 0.00 -1.26 -5.02 105.19 107.42 1jof n GLY 242 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 1jof n GLY 242 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1jof n ILE 243 N -2.00 1.30 -1.68 -0.61 3.06 -0.80 -4.83 119.36 113.80 1jof n ILE 243 Ca 0.00 -0.33 -0.46 0.00 -2.50 0.00 0.00 62.75 59.47 1jof n ILE 243 Cb 0.00 -1.57 -0.04 0.00 0.54 0.00 0.00 39.64 38.57 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 1.56 2.36 -1.24 9.51 -0.02 -1.26 -4.87 135.00 141.05 1jof n PRO 244 Ca 0.09 0.86 0.04 0.00 -2.02 0.00 0.00 63.50 62.47 1jof n PRO 244 Cb 0.34 -2.70 0.08 0.00 -0.02 0.00 0.00 33.50 31.19 1jof n PRO 244 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1jof n ASP 245 N 5.58 1.26 -4.09 2.55 5.75 -1.26 -4.93 116.55 121.42 1jof n ASP 245 Ca 0.20 -2.62 -0.31 0.00 -0.01 0.00 0.00 54.79 52.05 1jof n ASP 245 Cb 0.32 -0.38 -0.16 0.00 -1.03 0.00 0.00 41.12 39.87 1jof n ASP 245 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1jof s ARG 246 N -1.12 2.55 -0.57 0.11 0.52 -1.26 -1.54 118.95 117.64 1jof s ARG 246 Ca 0.35 -0.67 -0.28 0.00 -0.52 0.00 0.00 55.73 54.61 1jof s ARG 246 Cb 0.38 -2.17 0.02 0.00 0.52 0.00 0.00 34.95 33.70 1jof s ARG 246 CO -0.13 -0.11 1.31 0.34 0.02 0.00 0.00 175.30 176.72 1jof s ASP 247 N 1.09 6.29 0.49 0.23 -1.08 -0.19 -4.87 116.67 118.62 1jof s ASP 247 Ca -0.03 0.19 0.28 0.00 -0.52 0.00 0.00 52.55 52.48 1jof s ASP 247 Cb -0.14 -2.55 1.36 0.00 -1.46 0.00 0.00 42.92 40.13 1jof s ASP 247 CO -0.05 -1.60 1.82 1.55 0.52 0.00 0.00 175.17 177.41 1jof h PRO 248 N 10.29 0.15 -0.95 4.34 0.14 -1.96 1.33 132.00 145.35 1jof h PRO 248 Ca -0.26 -0.01 -0.21 0.00 0.14 0.00 0.00 66.00 65.66 1jof h PRO 248 Cb 1.07 -0.03 -0.13 0.00 0.14 0.00 0.00 31.00 32.05 1jof h PRO 248 CO 1.18 0.10 0.27 0.39 0.14 0.00 0.00 178.00 180.08 1jof n GLU 249 N -4.37 2.00 0.00 0.86 4.71 -1.26 -4.26 120.64 118.32 1jof n GLU 249 Ca 0.23 -1.61 0.00 0.00 -0.01 0.00 0.00 57.16 55.77 1jof n GLU 249 Cb 1.01 -1.69 0.00 0.00 -1.01 0.00 0.00 31.44 29.75 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 -0.21 0.00 0.00 2.62 -1.04 0.39 -4.94 114.28 111.10 1jof n THR 250 Ca 0.28 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.29 1jof n THR 250 Cb 1.04 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.55 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 0.40 3.81 3.41 0.00 0.27 -4.89 105.19 108.19 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 4.12 0.52 1.61 0.00 -1.26 -4.63 119.74 120.10 1jof s LYS 252 Ca 0.00 1.20 -0.22 0.00 0.00 0.00 0.00 55.97 56.95 1jof s LYS 252 Cb 0.00 -2.18 -0.07 0.00 0.00 0.00 0.00 37.83 35.58 1jof s LYS 252 CO 0.00 -0.14 1.22 0.41 0.00 0.00 0.00 175.35 176.84 1jof n GLY 253 N -0.47 0.38 0.13 0.59 0.00 -1.26 -1.03 105.19 103.53 1jof n GLY 253 Ca 0.07 0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.25 1jof n GLY 253 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jof h LEU 254 N 1.40 0.00 -8.51 0.99 3.38 -1.62 -3.44 115.31 107.51 1jof h LEU 254 Ca -0.49 -0.05 -0.56 0.00 0.09 0.00 0.00 57.88 56.87 1jof h LEU 254 Cb 1.32 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.81 1jof h LEU 254 CO 0.56 0.03 -0.83 -0.31 0.09 0.00 0.00 178.44 177.98 1jof s TYR 255 N -3.27 1.72 -0.23 1.13 1.51 -1.26 -0.51 117.35 116.44 1jof s TYR 255 Ca 0.03 -0.37 -0.03 0.00 -1.01 0.00 0.00 57.07 55.70 1jof s TYR 255 Cb 0.10 -1.03 0.07 0.00 -0.11 0.00 0.00 41.96 40.99 1jof s TYR 255 CO 0.74 0.08 0.07 1.03 -1.11 0.00 0.00 175.55 176.35 1jof s ARG 256 N -1.14 0.52 0.64 -0.62 0.52 -0.54 -4.76 118.95 113.56 1jof s ARG 256 Ca 0.07 -0.51 -0.18 0.00 -0.52 0.00 0.00 55.73 54.59 1jof s ARG 256 Cb -0.09 -1.91 -0.03 0.00 0.52 0.00 0.00 34.95 33.44 1jof s ARG 256 CO 0.02 -0.76 0.97 0.00 0.02 0.00 0.00 175.30 175.54 1jof n ALA 257 N 5.07 0.08 -0.82 2.13 0.00 -0.64 -1.68 120.51 124.66 1jof n ALA 257 Ca -0.07 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1jof n ALA 257 Cb 0.46 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.79 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 -1.07 0.00 -4.10 0.00 2.03 0.95 -4.56 116.55 109.81 1jof n ASP 258 Ca 0.14 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.34 1jof n ASP 258 Cb 0.48 -0.03 -0.11 0.00 -0.72 0.00 0.00 41.12 40.74 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 -0.18 0.49 0.02 5.18 1.01 -1.23 -4.64 120.40 121.06 1jof s VAL 259 Ca 0.00 -1.50 0.03 0.00 0.00 0.00 0.00 61.98 60.50 1jof s VAL 259 Cb 0.00 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 1jof s VAL 259 CO 0.00 -0.69 -0.08 0.00 0.00 0.00 0.00 175.10 174.33 1jof s ALA 261 N -0.74 -1.70 0.44 0.00 0.00 -0.19 -4.73 121.76 114.85 1jof s ALA 261 Ca -0.02 2.00 -0.17 0.00 0.00 0.00 0.00 51.96 53.76 1jof s ALA 261 Cb -0.06 -1.17 -0.09 0.00 0.00 0.00 0.00 23.12 21.80 1jof s ALA 261 CO 0.00 -0.33 0.91 -0.51 0.00 0.00 0.00 175.76 175.84 1jof s LEU 262 N 0.63 3.82 0.76 0.00 1.02 -1.26 -1.41 118.68 122.24 1jof s LEU 262 Ca -0.02 1.53 -0.09 0.00 0.02 0.00 0.00 54.13 55.56 1jof s LEU 262 Cb -0.05 -4.41 0.07 0.00 0.02 0.00 0.00 46.19 41.82 1jof s LEU 262 CO -0.03 -0.43 1.10 0.42 0.02 0.00 0.00 176.35 177.42 1jof s THR 263 N -2.34 2.15 0.24 5.49 -4.23 -0.52 -4.82 115.64 111.61 1jof s THR 263 Ca 0.59 -0.13 -0.06 0.00 -1.18 0.00 0.00 61.69 60.90 1jof s THR 263 Cb -0.10 -3.00 0.26 0.00 1.34 0.00 0.00 72.50 71.00 1jof s THR 263 CO 0.23 -0.00 1.65 0.15 -0.54 0.00 0.00 174.62 176.10 1jof h PHE 264 N -0.83 0.05 0.00 3.99 3.57 -1.80 -1.07 116.94 120.85 1jof h PHE 264 Ca -0.45 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.10 1jof h PHE 264 Cb 1.32 0.10 0.00 0.00 2.79 0.00 0.00 35.95 40.16 1jof h PHE 264 CO 0.32 -0.20 0.00 0.66 -2.23 0.00 0.00 178.31 176.87 1jof h SER 265 N 0.14 0.00 0.00 0.41 4.64 -1.92 -3.46 113.55 113.36 1jof h SER 265 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1jof h SER 265 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1jof h SER 265 CO -0.61 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 175.96 1jof n GLY 266 N 0.40 1.29 0.19 -0.77 0.00 -0.41 -4.89 105.19 101.02 1jof n GLY 266 Ca 0.02 0.00 0.10 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 3.10 0.00 0.00 1.61 1.57 -1.86 -3.44 116.57 117.56 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 0.10 0.00 0.66 -0.57 0.00 0.00 179.45 179.64 1jof n TYR 268 N -3.07 0.00 -3.66 -1.35 4.02 -1.26 -0.05 117.16 111.78 1jof n TYR 268 Ca 0.03 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.77 1jof n TYR 268 Cb 0.58 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.82 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 -0.09 -0.37 0.11 -0.72 0.40 -0.50 -1.44 117.98 115.36 1jof s PHE 270 Ca 0.00 0.62 -0.09 0.00 -0.60 0.00 0.00 56.93 56.86 1jof s PHE 270 Cb 0.00 0.22 -0.00 0.00 0.51 0.00 0.00 43.02 43.75 1jof s PHE 270 CO 0.00 -0.48 0.21 0.00 0.70 0.00 0.00 175.22 175.65 1jof s ALA 271 N -1.26 -0.15 0.23 5.36 0.00 0.06 -1.02 121.76 124.98 1jof s ALA 271 Ca -0.12 -0.70 -0.05 0.00 0.00 0.00 0.00 51.96 51.08 1jof s ALA 271 Cb -0.03 0.58 -0.03 0.00 0.00 0.00 0.00 23.12 23.64 1jof s ALA 271 CO 0.06 -0.54 0.27 -1.54 0.00 0.00 0.00 175.76 174.02 1jof s SER 272 N -2.89 0.13 0.00 0.00 1.04 -0.18 0.78 113.70 112.58 1jof s SER 272 Ca 0.08 -1.23 -0.16 0.00 0.48 0.00 0.00 55.95 55.11 1jof s SER 272 Cb 0.05 0.47 0.03 0.00 0.10 0.00 0.00 66.02 66.66 1jof s SER 272 CO -0.08 -0.97 0.35 -0.94 0.98 0.00 0.00 173.24 172.57 1jof s SER 273 N -3.12 -0.22 0.26 7.02 1.04 -0.02 -0.03 113.70 118.63 1jof s SER 273 Ca 0.33 0.07 0.11 0.00 0.48 0.00 0.00 55.95 56.93 1jof s SER 273 Cb 0.04 0.35 -0.05 0.00 0.10 0.00 0.00 66.02 66.46 1jof s SER 273 CO 0.12 -0.52 -0.10 0.00 0.98 0.00 0.00 173.24 173.72 1jof s ARG 274 N -1.68 1.98 0.14 4.02 1.70 -0.67 -1.09 118.95 123.35 1jof s ARG 274 Ca -0.11 -1.56 -0.01 0.00 -0.47 0.00 0.00 55.73 53.58 1jof s ARG 274 Cb -0.03 -1.98 -0.04 0.00 -0.57 0.00 0.00 34.95 32.32 1jof s ARG 274 CO 0.03 0.36 0.32 0.00 -1.08 0.00 0.00 175.30 174.93 1jof s ALA 275 N -2.32 3.89 -2.30 7.88 0.00 0.01 -1.47 121.76 127.45 1jof s ALA 275 Ca 0.30 -0.79 0.28 0.00 0.00 0.00 0.00 51.96 51.75 1jof s ALA 275 Cb -0.06 -1.95 1.14 0.00 0.00 0.00 0.00 23.12 22.24 1jof s ALA 275 CO 0.17 0.61 1.79 0.09 0.00 0.00 0.00 175.76 178.43 1jof n ASN 276 N -0.21 1.19 -4.13 0.00 3.02 0.33 -4.47 115.26 110.99 1jof n ASN 276 Ca -0.04 -1.31 -0.22 0.00 -0.03 0.00 0.00 54.58 52.97 1jof n ASN 276 Cb 0.53 0.01 -0.15 0.00 -0.61 0.00 0.00 39.78 39.56 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 -2.08 1.13 0.54 3.52 1.02 -1.26 -5.04 119.74 117.56 1jof s LYS 277 Ca 0.37 -0.62 0.29 0.00 0.02 0.00 0.00 55.97 56.03 1jof s LYS 277 Cb 0.21 -1.11 1.52 0.00 -0.52 0.00 0.00 37.83 37.93 1jof s LYS 277 CO 0.37 0.30 2.10 0.74 -0.92 0.00 0.00 175.35 177.93 1jof h PHE 278 N 5.48 0.00 -0.00 3.18 -1.00 -1.98 -1.97 116.94 120.64 1jof h PHE 278 Ca -0.36 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.42 1jof h PHE 278 Cb 1.17 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.73 1jof h PHE 278 CO 0.44 0.10 -0.01 -0.85 -1.61 0.00 0.00 178.31 176.38 1jof n GLU 279 N -3.61 1.09 -4.05 1.51 0.00 -1.26 -4.54 120.64 109.77 1jof n GLU 279 Ca -0.02 -0.23 -0.29 0.00 0.00 0.00 0.00 57.16 56.62 1jof n GLU 279 Cb 0.22 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 30.10 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 -2.07 3.84 0.18 -1.84 1.43 -0.74 -5.06 118.68 114.41 1jof s LEU 280 Ca 0.43 -0.03 -0.14 0.00 -1.03 0.00 0.00 54.13 53.37 1jof s LEU 280 Cb 0.22 -2.49 -0.07 0.00 0.03 0.00 0.00 46.19 43.87 1jof s LEU 280 CO 0.38 0.14 0.57 -1.10 0.23 0.00 0.00 176.35 176.57 1jof s GLN 281 N -2.61 3.96 0.53 1.70 -0.21 -1.26 -3.01 119.66 118.77 1jof s GLN 281 Ca 0.30 0.48 -0.02 0.00 0.02 0.00 0.00 55.36 56.15 1jof s GLN 281 Cb -0.12 -2.84 0.11 0.00 1.00 0.00 0.00 33.01 31.16 1jof s GLN 281 CO 0.23 0.42 0.73 0.41 -2.12 0.00 0.00 175.29 174.96 1jof n GLY 282 N 0.53 0.42 3.06 3.09 0.00 -0.41 -4.52 105.19 107.37 1jof n GLY 282 Ca -0.03 -1.97 -0.10 0.00 0.00 0.00 0.00 46.02 43.92 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 -2.22 0.55 -0.01 1.61 1.51 -0.25 -0.80 117.35 117.76 1jof s TYR 283 Ca 0.47 -0.70 0.06 0.00 -1.01 0.00 0.00 57.07 55.89 1jof s TYR 283 Cb -0.02 -0.36 -0.02 0.00 -0.11 0.00 0.00 41.96 41.46 1jof s TYR 283 CO 0.32 -0.19 -0.18 -1.50 -1.11 0.00 0.00 175.55 172.89 1jof s ILE 284 N -2.33 1.43 0.10 2.71 2.07 -0.16 -0.84 121.20 124.17 1jof s ILE 284 Ca -0.04 -0.81 0.05 0.00 -1.41 0.00 0.00 60.65 58.43 1jof s ILE 284 Cb -0.04 -1.19 -0.03 0.00 0.13 0.00 0.00 42.46 41.33 1jof s ILE 284 CO -0.03 0.37 -0.12 0.00 -1.91 0.00 0.00 174.94 173.25 1jof s ALA 285 N -0.47 1.22 -0.01 1.50 0.00 0.23 -1.49 121.76 122.75 1jof s ALA 285 Ca 0.07 -1.17 0.05 0.00 0.00 0.00 0.00 51.96 50.91 1jof s ALA 285 Cb -0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.01 1jof s ALA 285 CO -0.00 0.05 -0.15 0.20 0.00 0.00 0.00 175.76 175.86 1jof s GLY 286 N -2.28 0.72 0.08 0.00 0.00 -0.73 -0.76 107.32 104.35 1jof s GLY 286 Ca 0.04 -0.65 0.04 0.00 0.00 0.00 0.00 44.72 44.16 1jof s GLY 286 CO 0.01 -0.55 -0.12 -1.36 0.00 0.00 0.00 173.10 171.08 1jof s PHE 287 N -0.38 1.12 -0.11 1.90 0.40 -1.26 -0.24 117.98 119.41 1jof s PHE 287 Ca 0.05 -0.51 -0.02 0.00 -0.60 0.00 0.00 56.93 55.85 1jof s PHE 287 Cb -0.06 -0.63 -0.03 0.00 0.51 0.00 0.00 43.02 42.81 1jof s PHE 287 CO -0.00 0.03 -0.01 0.21 0.70 0.00 0.00 175.22 176.14 1jof s LYS 288 N -1.98 3.21 -0.14 0.44 2.20 -0.76 -4.33 119.74 118.37 1jof s LYS 288 Ca -0.01 -0.45 -0.02 0.00 -0.36 0.00 0.00 55.97 55.13 1jof s LYS 288 Cb -0.08 -2.83 -0.02 0.00 -1.51 0.00 0.00 37.83 33.39 1jof s LYS 288 CO 0.02 0.54 -0.09 -0.51 -0.36 0.00 0.00 175.35 174.95 1jof s LEU 289 N -0.45 2.93 0.84 5.43 1.43 0.93 -0.57 118.68 129.22 1jof s LEU 289 Ca 0.08 -0.25 -0.10 0.00 -1.03 0.00 0.00 54.13 52.83 1jof s LEU 289 Cb -0.12 -1.68 0.10 0.00 0.03 0.00 0.00 46.19 44.52 1jof s LEU 289 CO 0.02 0.17 1.11 -0.13 0.23 0.00 0.00 176.35 177.75 1jof s ARG 290 N 0.36 1.64 0.46 1.70 0.52 0.10 -4.76 118.95 118.99 1jof s ARG 290 Ca -0.08 1.32 0.14 0.00 -0.52 0.00 0.00 55.73 56.59 1jof s ARG 290 Cb -0.15 -1.82 1.05 0.00 0.52 0.00 0.00 34.95 34.55 1jof s ARG 290 CO 0.05 -2.12 2.03 -0.44 0.02 0.00 0.00 175.30 174.83 1jof h ASP 291 N -1.49 0.02 0.97 0.23 3.32 -1.96 -0.91 116.42 116.61 1jof h ASP 291 Ca -0.44 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1jof h ASP 291 Cb 1.25 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1jof h ASP 291 CO 0.47 0.15 0.00 0.00 -1.72 0.00 0.00 179.24 178.14 1jof n GLY 293 N 0.85 1.75 3.74 0.00 0.00 -0.35 -4.62 105.19 106.56 1jof n GLY 293 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.35 4.07 -0.33 1.61 1.04 -1.26 -4.64 113.70 112.82 1jof s SER 294 Ca 0.00 1.99 -0.26 0.00 0.48 0.00 0.00 55.95 58.16 1jof s SER 294 Cb 0.00 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.59 1jof s SER 294 CO 0.00 -2.33 0.93 -0.63 0.98 0.00 0.00 173.24 172.19 1jof s ILE 295 N -2.70 4.63 0.03 -1.02 1.01 -1.26 -0.72 121.20 121.17 1jof s ILE 295 Ca 0.64 1.36 -0.21 0.00 0.00 0.00 0.00 60.65 62.45 1jof s ILE 295 Cb -0.20 -4.30 -0.16 0.00 0.01 0.00 0.00 42.46 37.81 1jof s ILE 295 CO 0.54 -0.43 1.31 -0.08 0.00 0.00 0.00 174.94 176.29 1jof h GLU 296 N 8.24 0.34 -2.07 2.79 4.81 -1.17 -3.47 114.58 124.05 1jof h GLU 296 Ca -0.23 -0.19 0.17 0.00 -0.13 0.00 0.00 59.36 58.98 1jof h GLU 296 Cb 1.08 0.01 -0.15 0.00 0.63 0.00 0.00 28.75 30.33 1jof h GLU 296 CO 0.97 0.76 0.58 -1.59 -0.73 0.00 0.00 179.01 179.00 1jof s LYS 297 N -4.17 0.74 -0.24 1.92 -2.85 -1.21 -5.01 119.74 108.93 1jof s LYS 297 Ca -0.14 -0.31 -0.17 0.00 -1.00 0.00 0.00 55.97 54.34 1jof s LYS 297 Cb 0.05 0.32 -0.03 0.00 -2.06 0.00 0.00 37.83 36.10 1jof s LYS 297 CO 0.75 -0.33 0.48 -1.14 0.10 0.00 0.00 175.35 175.21 1jof s GLN 298 N -2.95 4.11 0.06 1.78 0.74 -1.26 -1.83 119.66 120.31 1jof s GLN 298 Ca 0.08 0.29 -0.05 0.00 0.05 0.00 0.00 55.36 55.72 1jof s GLN 298 Cb -0.01 -3.61 -0.29 0.00 1.10 0.00 0.00 33.01 30.20 1jof s GLN 298 CO -0.06 -0.24 1.09 -0.07 -0.55 0.00 0.00 175.29 175.46 1jof h LEU 299 N 8.35 0.47 -7.08 3.68 3.38 -0.95 -3.49 115.31 119.67 1jof h LEU 299 Ca -0.32 -0.51 0.05 0.00 0.09 0.00 0.00 57.88 57.19 1jof h LEU 299 Cb 1.15 -0.15 -0.13 0.00 0.09 0.00 0.00 40.66 41.62 1jof h LEU 299 CO 0.71 1.41 0.35 0.72 0.09 0.00 0.00 178.44 181.71 1jof s PHE 300 N -2.64 -0.42 -0.25 1.13 -0.12 -1.17 -4.96 117.98 109.54 1jof s PHE 300 Ca -0.05 0.23 -0.02 0.00 -0.05 0.00 0.00 56.93 57.04 1jof s PHE 300 Cb 0.07 0.56 0.13 0.00 -0.63 0.00 0.00 43.02 43.15 1jof s PHE 300 CO 0.89 -0.74 0.32 -1.17 -0.05 0.00 0.00 175.22 174.47 1jof s LEU 301 N -2.65 -0.40 0.10 -1.99 2.96 -1.26 -1.77 118.68 113.67 1jof s LEU 301 Ca 0.04 -0.28 0.05 0.00 -0.22 0.00 0.00 54.13 53.71 1jof s LEU 301 Cb -0.01 0.74 -0.03 0.00 0.50 0.00 0.00 46.19 47.38 1jof s LEU 301 CO -0.10 -0.34 -0.13 -0.44 -1.32 0.00 0.00 176.35 174.02 1jof s SER 302 N 2.43 1.70 0.45 3.68 0.01 -0.56 -4.98 113.70 116.44 1jof s SER 302 Ca 0.10 -0.74 -0.24 0.00 1.31 0.00 0.00 55.95 56.38 1jof s SER 302 Cb -0.15 -0.04 -0.07 0.00 0.21 0.00 0.00 66.02 65.97 1jof s SER 302 CO -0.22 -0.16 1.22 -2.84 0.41 0.00 0.00 173.24 171.65 1jof s PRO 303 N -2.38 3.74 0.35 12.44 0.02 -1.26 -0.99 135.00 146.92 1jof s PRO 303 Ca 0.04 1.92 0.04 0.00 0.02 0.00 0.00 61.00 63.02 1jof s PRO 303 Cb -0.06 -2.48 -0.01 0.00 0.02 0.00 0.00 34.50 31.96 1jof s PRO 303 CO 0.02 -0.61 0.51 0.95 -0.33 0.00 0.00 177.00 177.55 1jof s THR 304 N -1.44 4.39 0.32 0.99 -4.23 0.02 -4.79 115.64 110.90 1jof s THR 304 Ca 0.63 -0.80 0.02 0.00 -1.18 0.00 0.00 61.69 60.36 1jof s THR 304 Cb -0.32 -3.56 0.28 0.00 1.34 0.00 0.00 72.50 70.24 1jof s THR 304 CO 0.40 -0.28 1.93 -0.65 -0.54 0.00 0.00 174.62 175.48 1jof h PRO 305 N 0.79 0.90 0.00 3.99 0.11 -1.96 -3.39 132.00 132.45 1jof h PRO 305 Ca -0.47 -0.05 -0.24 0.00 0.11 0.00 0.00 66.00 65.34 1jof h PRO 305 Cb 1.25 -0.20 -0.05 0.00 0.11 0.00 0.00 31.00 32.11 1jof h PRO 305 CO 0.56 0.60 -0.18 0.25 -0.21 0.00 0.00 178.00 179.02 1jof n THR 306 N -4.48 0.00 0.52 -1.15 -2.24 -1.26 -4.95 114.28 100.72 1jof n THR 306 Ca 0.12 -0.90 0.13 0.00 -2.27 0.00 0.00 64.05 61.13 1jof n THR 306 Cb 0.20 0.21 0.45 0.00 -2.10 0.00 0.00 70.33 69.09 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 -1.27 0.78 0.00 3.42 3.41 -1.16 -1.29 113.62 117.50 1jof n SER 307 Ca -0.07 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 1jof n SER 307 Cb 0.24 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.38 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 0.71 2.35 7.00 5.00 0.00 -1.26 -0.81 105.19 118.18 1jof n GLY 308 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1jof n GLY 308 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jof n GLY 309 N -2.00 3.58 0.25 -0.02 0.00 -1.26 -0.62 105.19 105.11 1jof n GLY 309 Ca 0.00 -0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.08 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 14.00 0.00 0.00 1.61 8.25 -1.26 -4.74 115.22 133.08 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 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.04 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 -0.49 0.00 -0.75 0.41 2.88 0.20 -4.95 113.62 110.92 1jof n SER 311 Ca 0.18 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.64 1jof n SER 311 Cb 0.28 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.72 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 -3.45 -4.70 -3.46 5.15 0.57 -4.68 115.26 104.69 1jof n ASN 312 Ca 0.00 0.10 -0.42 0.00 -0.60 0.00 0.00 54.58 53.66 1jof n ASN 312 Cb 0.00 -2.18 -0.03 0.00 -0.53 0.00 0.00 39.78 37.05 1jof n ASN 312 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1jof s ALA 313 N -2.34 3.56 0.00 5.20 0.00 -1.20 -4.71 121.76 122.27 1jof s ALA 313 Ca 0.00 0.99 -0.10 0.00 0.00 0.00 0.00 51.96 52.85 1jof s ALA 313 Cb 0.00 -3.55 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 1jof s ALA 313 CO 0.00 -0.71 0.32 0.14 0.00 0.00 0.00 175.76 175.52 1jof s VAL 314 N 1.60 5.20 -0.32 0.00 -7.23 -1.26 -2.65 120.40 115.74 1jof s VAL 314 Ca 0.64 0.46 -0.02 0.00 -1.81 0.00 0.00 61.98 61.25 1jof s VAL 314 Cb -0.34 -3.60 0.12 0.00 0.56 0.00 0.00 36.38 33.11 1jof s VAL 314 CO 0.29 0.46 0.16 -0.55 -0.31 0.00 0.00 175.10 175.15 1jof s SER 315 N -1.40 3.38 0.49 4.85 0.15 0.13 -4.87 113.70 116.43 1jof s SER 315 Ca 0.26 -1.72 -0.23 0.00 0.70 0.00 0.00 55.95 54.96 1jof s SER 315 Cb -0.14 -0.44 -0.07 0.00 -1.71 0.00 0.00 66.02 63.66 1jof s SER 315 CO 0.14 -0.38 1.27 -2.84 1.20 0.00 0.00 173.24 172.62 1jof s PRO 316 N 1.59 3.54 0.09 5.44 0.02 -1.26 -1.34 135.00 143.08 1jof s PRO 316 Ca 0.13 2.03 -0.31 0.00 0.02 0.00 0.00 61.00 62.87 1jof s PRO 316 Cb -0.19 -2.41 -0.08 0.00 0.02 0.00 0.00 34.50 31.84 1jof s PRO 316 CO -0.20 -0.81 1.58 0.00 -0.33 0.00 0.00 177.00 177.24 1jof h PRO 318 N 7.75 0.00 -0.01 0.00 0.11 -1.92 -3.09 132.00 134.85 1jof h PRO 318 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1jof h PRO 318 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1jof h PRO 318 CO 0.92 0.00 -0.11 0.91 -0.21 0.00 0.00 178.00 179.50 1jof n TRP 319 N -2.90 0.00 -3.68 0.65 8.01 -1.26 -4.61 117.44 113.66 1jof n TRP 319 Ca -0.01 0.00 -0.13 0.00 -1.31 0.00 0.00 57.50 56.05 1jof n TRP 319 Cb 0.14 0.00 -0.08 0.00 -2.01 0.00 0.00 31.31 29.36 1jof n TRP 319 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 1jof s SER 320 N -1.13 -0.62 0.48 -0.99 0.15 -1.17 -4.97 113.70 105.45 1jof s SER 320 Ca 0.10 1.17 0.31 0.00 0.70 0.00 0.00 55.95 58.24 1jof s SER 320 Cb 0.08 1.17 1.33 0.00 -1.71 0.00 0.00 66.02 66.89 1jof s SER 320 CO 0.20 -0.20 1.93 0.44 1.20 0.00 0.00 173.24 176.80 1jof h ASP 321 N 5.45 0.00 -0.33 5.45 5.19 -1.95 -3.32 116.42 126.91 1jof h ASP 321 Ca -0.29 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.14 1jof h ASP 321 Cb 1.17 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.67 1jof h ASP 321 CO 0.15 0.00 0.22 -0.08 -3.12 0.00 0.00 179.24 176.41 1jof h GLU 322 N 0.00 0.38 0.00 3.56 4.81 -1.92 -3.40 114.58 118.01 1jof h GLU 322 Ca 0.00 -0.02 -0.27 0.00 -0.13 0.00 0.00 59.36 58.94 1jof h GLU 322 Cb 0.43 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.68 1jof h GLU 322 CO 0.00 0.25 -0.19 0.91 -0.73 0.00 0.00 179.01 179.25 1jof n TRP 323 N -4.49 0.36 -3.67 0.92 7.02 -1.25 -0.00 117.44 116.34 1jof n TRP 323 Ca 0.02 -1.03 -0.12 0.00 -1.02 0.00 0.00 57.50 55.35 1jof n TRP 323 Cb 0.11 -0.14 -0.06 0.00 -2.42 0.00 0.00 31.31 28.79 1jof n TRP 323 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1jof s ALA 325 N -2.36 -0.98 -0.08 6.99 0.00 -0.45 -1.44 121.76 123.45 1jof s ALA 325 Ca 0.01 0.24 -0.08 0.00 0.00 0.00 0.00 51.96 52.13 1jof s ALA 325 Cb -0.00 0.39 0.02 0.00 0.00 0.00 0.00 23.12 23.53 1jof s ALA 325 CO 0.01 -0.48 0.22 -1.50 0.00 0.00 0.00 175.76 174.00 1jof s ILE 326 N -2.66 0.01 0.19 0.00 2.07 -0.71 0.22 121.20 120.31 1jof s ILE 326 Ca -0.04 -0.05 0.10 0.00 -1.41 0.00 0.00 60.65 59.25 1jof s ILE 326 Cb -0.00 -0.32 -0.04 0.00 0.13 0.00 0.00 42.46 42.22 1jof s ILE 326 CO -0.04 -0.03 -0.22 0.42 -1.91 0.00 0.00 174.94 173.17 1jof s THR 327 N 0.00 2.16 0.02 4.00 -4.23 -1.09 -1.51 115.64 115.00 1jof s THR 327 Ca -0.01 -2.01 -0.06 0.00 -1.18 0.00 0.00 61.69 58.42 1jof s THR 327 Cb -0.02 -2.03 -0.00 0.00 1.34 0.00 0.00 72.50 71.79 1jof s THR 327 CO 0.00 -0.21 0.12 1.51 -0.54 0.00 0.00 174.62 175.50 1jof s ASP 328 N -2.72 0.10 -0.21 3.99 -4.77 -1.09 -0.32 116.67 111.65 1jof s ASP 328 Ca 0.19 -0.38 0.12 0.00 -3.30 0.00 0.00 52.55 49.18 1jof s ASP 328 Cb -0.07 0.22 0.42 0.00 -1.09 0.00 0.00 42.92 42.40 1jof s ASP 328 CO 0.09 -0.45 1.26 -0.90 0.70 0.00 0.00 175.17 175.87 1jof n ASP 329 N 1.09 1.96 -0.07 2.11 5.75 -1.20 -3.50 116.55 122.68 1jof n ASP 329 Ca -0.21 -3.77 -0.22 0.00 -0.01 0.00 0.00 54.79 50.58 1jof n ASP 329 Cb 0.57 -0.54 -0.12 0.00 -1.03 0.00 0.00 41.12 40.00 1jof n ASP 329 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 1jof n GLN 330 N -1.15 0.63 -0.01 0.11 7.27 -1.26 -4.60 117.38 118.37 1jof n GLN 330 Ca 0.21 0.46 0.00 0.00 0.07 0.00 0.00 57.00 57.74 1jof n GLN 330 Cb 0.75 -1.72 -0.03 0.00 2.41 0.00 0.00 30.24 31.64 1jof n GLN 330 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1jof n GLU 331 N -4.09 1.59 -0.69 3.69 1.02 -1.26 -5.06 120.64 115.84 1jof n GLU 331 Ca -0.33 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 56.79 1jof n GLU 331 Cb 0.82 -1.10 0.00 0.00 -0.02 0.00 0.00 31.44 31.14 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 2.48 0.76 3.85 0.62 0.00 -1.23 -4.70 105.19 106.97 1jof n GLY 332 Ca -0.03 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 1jof n GLY 332 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jof s TRP 333 N -1.98 3.38 -0.26 1.61 0.52 -1.23 -0.57 118.94 120.40 1jof s TRP 333 Ca 0.00 0.20 0.02 0.00 0.02 0.00 0.00 56.10 56.34 1jof s TRP 333 Cb 0.00 -1.72 0.05 0.00 -1.15 0.00 0.00 33.47 30.65 1jof s TRP 333 CO 0.00 0.57 -0.10 -1.17 0.02 0.00 0.00 176.95 176.27 1jof s LEU 334 N -2.29 3.39 0.14 2.99 1.98 -0.51 -2.66 118.68 121.71 1jof s LEU 334 Ca 0.30 -1.28 0.06 0.00 -2.89 0.00 0.00 54.13 50.32 1jof s LEU 334 Cb -0.13 -1.58 -0.04 0.00 0.66 0.00 0.00 46.19 45.11 1jof s LEU 334 CO 0.23 -0.18 0.01 -1.61 -1.89 0.00 0.00 176.35 172.91 1jof s GLU 335 N 1.15 2.49 -0.09 1.98 2.02 -0.57 -1.67 118.70 124.02 1jof s GLU 335 Ca -0.07 -0.98 0.02 0.00 0.02 0.00 0.00 54.97 53.96 1jof s GLU 335 Cb -0.19 -2.45 0.01 0.00 0.10 0.00 0.00 34.13 31.60 1jof s GLU 335 CO -0.05 0.49 -0.14 0.42 0.02 0.00 0.00 175.26 176.00 1jof s ILE 336 N -1.55 1.36 0.21 -1.63 1.01 0.75 -1.73 121.20 119.60 1jof s ILE 336 Ca 0.27 -0.59 0.09 0.00 0.00 0.00 0.00 60.65 60.43 1jof s ILE 336 Cb -0.10 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.09 1jof s ILE 336 CO 0.19 0.41 -0.08 -0.31 0.00 0.00 0.00 174.94 175.14 1jof s TYR 337 N 0.78 2.62 -0.08 3.97 1.51 -1.26 -1.11 117.35 123.79 1jof s TYR 337 Ca -0.12 -0.23 -0.00 0.00 -1.01 0.00 0.00 57.07 55.71 1jof s TYR 337 Cb -0.16 -1.24 -0.03 0.00 -0.11 0.00 0.00 41.96 40.42 1jof s TYR 337 CO 0.02 0.55 -0.05 0.50 -1.11 0.00 0.00 175.55 175.47 1jof s ARG 338 N -3.08 2.92 -0.33 -0.62 3.52 0.53 -4.32 118.95 117.58 1jof s ARG 338 Ca 0.27 -0.51 -0.08 0.00 -0.13 0.00 0.00 55.73 55.28 1jof s ARG 338 Cb -0.08 -2.68 0.02 0.00 -1.56 0.00 0.00 34.95 30.65 1jof s ARG 338 CO 0.16 0.62 0.13 -0.46 -0.81 0.00 0.00 175.30 174.95 1jof s TRP 339 N -0.69 3.21 -0.03 5.12 -0.00 1.00 -1.62 118.94 125.92 1jof s TRP 339 Ca 0.11 -1.03 -0.01 0.00 -0.00 0.00 0.00 56.10 55.17 1jof s TRP 339 Cb -0.11 -2.33 0.03 0.00 -0.00 0.00 0.00 33.47 31.06 1jof s TRP 339 CO 0.02 -0.62 0.06 0.21 -0.00 0.00 0.00 176.95 176.62 1jof s LYS 340 N 1.51 -0.01 -1.63 5.86 2.47 -0.55 -4.52 119.74 122.86 1jof s LYS 340 Ca 0.02 0.25 -0.16 0.00 -1.56 0.00 0.00 55.97 54.51 1jof s LYS 340 Cb -0.18 -0.25 0.13 0.00 -1.46 0.00 0.00 37.83 36.07 1jof s LYS 340 CO 0.04 -0.18 0.86 -0.25 0.16 0.00 0.00 175.35 175.98 1jof n ASP 341 N 4.29 -3.81 -3.77 1.43 8.00 -1.26 -1.53 116.55 119.90 1jof n ASP 341 Ca -0.26 -0.92 -0.27 0.00 0.71 0.00 0.00 54.79 54.05 1jof n ASP 341 Cb 0.50 -3.19 0.05 0.00 -0.02 0.00 0.00 41.12 38.46 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 -4.50 -6.58 -3.93 -1.24 1.02 -1.26 -4.99 120.64 99.15 1jof n GLU 342 Ca 0.05 0.70 -0.10 0.00 -0.02 0.00 0.00 57.16 57.79 1jof n GLU 342 Cb 0.51 -5.66 -0.12 0.00 -0.02 0.00 0.00 31.44 26.15 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 -3.32 0.14 -0.12 -0.32 0.40 -0.58 -5.00 117.98 109.19 1jof s PHE 343 Ca 0.61 -0.29 -0.03 0.00 -0.60 0.00 0.00 56.93 56.62 1jof s PHE 343 Cb -0.29 -0.11 -0.03 0.00 0.51 0.00 0.00 43.02 43.10 1jof s PHE 343 CO 0.79 -0.15 -0.01 -1.17 0.70 0.00 0.00 175.22 175.38 1jof s LEU 344 N -0.98 3.47 -0.03 -0.37 2.96 -1.26 -1.48 118.68 120.98 1jof s LEU 344 Ca -0.11 0.04 -0.02 0.00 -0.22 0.00 0.00 54.13 53.82 1jof s LEU 344 Cb -0.07 -1.81 0.01 0.00 0.50 0.00 0.00 46.19 44.83 1jof s LEU 344 CO -0.00 0.29 0.06 -1.38 -1.32 0.00 0.00 176.35 174.00 1jof s HIS 345 N -0.36 -0.06 0.28 5.38 -3.43 -0.64 -4.97 115.29 111.49 1jof s HIS 345 Ca 0.07 0.19 -0.29 0.00 -0.80 0.00 0.00 55.06 54.23 1jof s HIS 345 Cb -0.12 -0.04 -0.10 0.00 -1.43 0.00 0.00 32.58 30.89 1jof s HIS 345 CO 0.02 -0.06 1.24 0.50 -2.00 0.00 0.00 174.74 174.44 1jof s ARG 346 N 0.40 4.46 0.00 -0.38 3.52 -1.26 -0.35 118.95 125.34 1jof s ARG 346 Ca -0.03 2.03 0.00 0.00 -0.13 0.00 0.00 55.73 57.60 1jof s ARG 346 Cb -0.04 -3.14 0.00 0.00 -1.56 0.00 0.00 34.95 30.20 1jof s ARG 346 CO -0.01 -0.07 0.00 1.33 -0.81 0.00 0.00 175.30 175.73 1jof n VAL 347 N 1.41 0.00 -3.48 7.11 0.24 -0.26 -4.87 118.33 118.47 1jof n VAL 347 Ca 0.01 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.20 1jof n VAL 347 Cb 0.43 0.35 -0.03 0.00 -1.47 0.00 0.00 33.84 33.12 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 -1.74 -1.75 -0.10 2.33 0.00 -1.13 -4.64 121.76 114.73 1jof s ALA 348 Ca 0.00 0.94 -0.30 0.00 0.00 0.00 0.00 51.96 52.60 1jof s ALA 348 Cb 0.00 0.39 0.12 0.00 0.00 0.00 0.00 23.12 23.63 1jof s ALA 348 CO 0.00 -0.62 0.98 -0.98 0.00 0.00 0.00 175.76 175.14 1jof s ARG 349 N -2.79 0.65 -0.03 0.00 1.70 -1.26 -0.18 118.95 117.05 1jof s ARG 349 Ca 0.00 -0.07 -0.04 0.00 -0.47 0.00 0.00 55.73 55.15 1jof s ARG 349 Cb -0.01 0.30 0.01 0.00 -0.57 0.00 0.00 34.95 34.68 1jof s ARG 349 CO -0.06 -0.25 0.10 0.54 -1.08 0.00 0.00 175.30 174.55 1jof s VAL 350 N -2.10 0.03 -0.13 4.99 0.11 -0.67 -4.63 120.40 118.00 1jof s VAL 350 Ca 0.02 -0.23 -0.05 0.00 -2.93 0.00 0.00 61.98 58.80 1jof s VAL 350 Cb -0.01 -0.22 -0.04 0.00 -1.53 0.00 0.00 36.38 34.59 1jof s VAL 350 CO -0.04 -0.12 0.06 -0.60 -3.33 0.00 0.00 175.10 171.06 1jof s ARG 351 N -0.38 3.48 -0.28 1.54 3.52 -1.26 -1.42 118.95 124.16 1jof s ARG 351 Ca -0.04 -0.32 0.03 0.00 -0.13 0.00 0.00 55.73 55.26 1jof s ARG 351 Cb -0.03 -3.05 0.07 0.00 -1.56 0.00 0.00 34.95 30.38 1jof s ARG 351 CO 0.00 0.55 -0.07 0.42 -0.81 0.00 0.00 175.30 175.39 1jof s ILE 352 N -0.42 2.14 -1.18 4.11 1.01 0.27 -5.00 121.20 122.14 1jof s ILE 352 Ca 0.09 -1.77 0.00 0.00 0.00 0.00 0.00 60.65 58.97 1jof s ILE 352 Cb -0.12 -2.34 0.00 0.00 0.01 0.00 0.00 42.46 40.01 1jof s ILE 352 CO 0.02 -0.17 0.00 -2.65 0.00 0.00 0.00 174.94 172.14 1jof n PRO 353 N 4.41 0.00 -3.72 2.79 -0.02 -1.26 -4.69 135.00 132.50 1jof n PRO 353 Ca -0.10 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.15 1jof n PRO 353 Cb 0.42 -0.95 -0.02 0.00 -0.02 0.00 0.00 33.50 32.93 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 -1.18 3.47 0.18 -0.52 0.41 -1.26 -5.04 118.70 114.77 1jof s GLU 354 Ca 0.00 -0.53 -0.33 0.00 -0.41 0.00 0.00 54.97 53.70 1jof s GLU 354 Cb 0.00 -2.81 -0.13 0.00 -1.78 0.00 0.00 34.13 29.41 1jof s GLU 354 CO 0.00 0.33 1.65 -2.30 -0.49 0.00 0.00 175.26 174.45 1jof n PRO 355 N -1.35 2.45 -1.11 0.39 -0.02 -1.26 -1.87 135.00 132.23 1jof n PRO 355 Ca -0.07 0.88 -0.04 0.00 -2.02 0.00 0.00 63.50 62.26 1jof n PRO 355 Cb 0.56 -2.69 -0.02 0.00 -0.02 0.00 0.00 33.50 31.33 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 3.68 0.37 3.75 -1.23 0.00 -1.26 -4.46 105.19 106.04 1jof n GLY 356 Ca 0.17 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1jof n GLY 356 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jof s PHE 357 N -1.35 3.06 0.00 1.61 5.36 -0.78 -1.06 117.98 124.81 1jof s PHE 357 Ca 0.00 1.10 0.00 0.00 -0.96 0.00 0.00 56.93 57.07 1jof s PHE 357 Cb 0.00 -3.77 0.00 0.00 -0.34 0.00 0.00 43.02 38.91 1jof s PHE 357 CO 0.00 -2.46 0.00 0.41 -1.46 0.00 0.00 175.22 171.71 1jof n GLY 358 N 2.09 1.36 3.90 13.12 0.00 -1.18 -3.88 105.19 120.59 1jof n GLY 358 Ca 0.06 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 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 6.49 -0.01 1.61 4.22 -1.26 -3.27 114.94 122.71 1jof s ASN 360 Ca 0.00 0.59 0.05 0.00 -2.14 0.00 0.00 52.86 51.36 1jof s ASN 360 Cb 0.00 -2.09 -0.03 0.00 1.28 0.00 0.00 41.25 40.41 1jof s ASN 360 CO 0.00 0.03 -0.15 0.00 -2.04 0.00 0.00 177.10 174.94 1jof s ALA 361 N -1.69 2.65 -0.01 3.54 0.00 -1.26 -3.56 121.76 121.44 1jof s ALA 361 Ca 0.41 -1.06 0.05 0.00 0.00 0.00 0.00 51.96 51.36 1jof s ALA 361 Cb -0.12 -0.89 -0.01 0.00 0.00 0.00 0.00 23.12 22.10 1jof s ALA 361 CO 0.25 0.57 -0.16 0.96 0.00 0.00 0.00 175.76 177.37 1jof s ILE 362 N -0.82 1.29 -0.10 0.00 -4.36 -1.26 -4.81 121.20 111.14 1jof s ILE 362 Ca 0.13 -0.72 -0.19 0.00 -0.26 0.00 0.00 60.65 59.61 1jof s ILE 362 Cb -0.11 -1.08 -0.04 0.00 1.25 0.00 0.00 42.46 42.48 1jof s ILE 362 CO 0.03 0.35 0.51 0.26 0.24 0.00 0.00 174.94 176.33 1jof s TRP 363 N -0.41 3.54 -0.08 1.37 0.52 -1.26 -4.27 118.94 118.35 1jof s TRP 363 Ca 0.06 0.97 0.03 0.00 0.02 0.00 0.00 56.10 57.18 1jof s TRP 363 Cb -0.06 -2.58 0.01 0.00 -1.15 0.00 0.00 33.47 29.68 1jof s TRP 363 CO -0.01 0.19 -0.18 -0.47 0.02 0.00 0.00 176.95 176.50 1jof s TYR 364 N 0.51 2.01 0.00 -1.98 5.04 -0.53 -5.00 117.35 117.40 1jof s TYR 364 Ca 0.28 -0.78 0.00 0.00 -2.44 0.00 0.00 57.07 54.12 1jof s TYR 364 Cb -0.16 -1.39 0.00 0.00 0.35 0.00 0.00 41.96 40.76 1jof s TYR 364 CO 0.12 -0.34 0.00 -0.25 -1.34 0.00 0.00 175.55 173.74