#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jf0 s ASP 5 N 0.00 5.87 0.60 4.31 3.68 -1.26 -4.88 116.67 124.99 2jf0 s ASP 5 Ca 0.00 2.13 0.38 0.00 2.13 0.00 0.00 52.55 57.18 2jf0 s ASP 5 Cb 0.00 -2.52 1.83 0.00 -1.45 0.00 0.00 42.92 40.78 2jf0 s ASP 5 CO 0.00 -1.59 2.16 -0.65 0.13 0.00 0.00 175.17 175.22 2jf0 h PRO 6 N 13.17 0.00 0.00 4.34 0.11 -2.02 0.10 132.00 147.70 2jf0 h PRO 6 Ca -0.43 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.62 2jf0 h PRO 6 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 2jf0 h PRO 6 CO 0.96 0.02 -0.28 1.96 -0.21 0.00 0.00 178.00 180.44 2jf0 h GLN 7 N 0.00 0.00 -0.36 1.05 1.08 -2.02 -2.87 115.11 111.99 2jf0 h GLN 7 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2jf0 h GLN 7 Cb 0.28 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 2jf0 h GLN 7 CO 0.00 0.28 0.00 1.28 -0.95 0.00 0.00 178.83 179.44 2jf0 n LEU 8 N -3.65 2.63 -4.43 1.46 4.77 0.02 -4.81 117.00 112.99 2jf0 n LEU 8 Ca -0.01 -1.19 -0.36 0.00 -0.03 0.00 0.00 56.01 54.42 2jf0 n LEU 8 Cb 0.40 -0.24 -0.13 0.00 -2.33 0.00 0.00 43.42 41.13 2jf0 n LEU 8 CO 0.35 0.60 -0.29 -0.76 -1.33 0.00 0.00 177.39 175.96 2jf0 s LEU 9 N -1.34 3.42 -0.05 2.23 1.43 -1.09 0.06 118.68 123.34 2jf0 s LEU 9 Ca 0.35 -0.25 0.03 0.00 -1.03 0.00 0.00 54.13 53.23 2jf0 s LEU 9 Cb 0.19 -1.91 0.00 0.00 0.03 0.00 0.00 46.19 44.51 2jf0 s LEU 9 CO 0.27 -0.04 -0.15 -0.69 0.23 0.00 0.00 176.35 175.97 2jf0 s VAL 10 N 1.60 1.29 -0.37 -1.59 1.01 -0.31 -4.98 120.40 117.04 2jf0 s VAL 10 Ca 0.06 -0.61 -0.19 0.00 0.00 0.00 0.00 61.98 61.24 2jf0 s VAL 10 Cb -0.15 -1.14 0.01 0.00 0.00 0.00 0.00 36.38 35.10 2jf0 s VAL 10 CO 0.03 0.38 0.58 -0.60 0.00 0.00 0.00 175.10 175.50 2jf0 s ARG 11 N 0.31 3.54 0.39 2.72 3.52 -1.26 0.33 118.95 128.51 2jf0 s ARG 11 Ca -0.09 -0.16 0.08 0.00 -0.13 0.00 0.00 55.73 55.43 2jf0 s ARG 11 Cb -0.13 -3.85 -0.01 0.00 -1.56 0.00 0.00 34.95 29.40 2jf0 s ARG 11 CO 0.03 -0.77 0.47 0.14 -0.81 0.00 0.00 175.30 174.37 2jf0 s VAL 12 N 2.59 3.23 0.38 7.11 -7.23 0.41 -4.84 120.40 122.05 2jf0 s VAL 12 Ca 0.21 -1.12 0.19 0.00 -1.81 0.00 0.00 61.98 59.46 2jf0 s VAL 12 Cb -0.15 -3.11 0.38 0.00 0.56 0.00 0.00 36.38 34.06 2jf0 s VAL 12 CO 0.15 -0.06 1.69 -0.09 -0.31 0.00 0.00 175.10 176.48 2jf0 h ARG 13 N 0.85 0.29 -0.04 4.82 2.43 -1.93 0.86 114.38 121.66 2jf0 h ARG 13 Ca -0.42 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 2jf0 h ARG 13 Cb 1.27 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 2jf0 h ARG 13 CO 0.51 0.19 0.00 0.41 -1.51 0.00 0.00 179.97 179.57 2jf0 n GLY 14 N -1.40 0.05 0.00 2.80 0.00 -1.26 -4.93 105.19 100.46 2jf0 n GLY 14 Ca 0.31 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2jf0 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jf0 n GLY 15 N 1.17 0.80 3.87 -0.02 0.00 0.30 -0.30 105.19 111.00 2jf0 n GLY 15 Ca 0.18 -2.03 -0.35 0.00 0.00 0.00 0.00 46.02 43.83 2jf0 n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jf0 s GLN 16 N -1.32 3.72 0.04 1.61 -0.21 -1.22 -0.44 119.66 121.84 2jf0 s GLN 16 Ca 0.00 0.12 0.07 0.00 0.02 0.00 0.00 55.36 55.57 2jf0 s GLN 16 Cb 0.00 -3.02 -0.02 0.00 1.00 0.00 0.00 33.01 30.96 2jf0 s GLN 16 CO 0.00 0.58 -0.19 -0.51 -2.12 0.00 0.00 175.29 173.05 2jf0 s LEU 17 N -1.86 2.17 -0.28 2.90 1.43 0.15 -0.50 118.68 122.70 2jf0 s LEU 17 Ca 0.32 -0.51 -0.02 0.00 -1.03 0.00 0.00 54.13 52.89 2jf0 s LEU 17 Cb -0.14 -0.88 0.04 0.00 0.03 0.00 0.00 46.19 45.24 2jf0 s LEU 17 CO 0.18 0.13 -0.03 -0.60 0.23 0.00 0.00 176.35 176.25 2jf0 s ARG 18 N -1.19 2.62 1.02 1.70 3.52 -0.05 -1.16 118.95 125.41 2jf0 s ARG 18 Ca 0.06 -1.13 -0.17 0.00 -0.13 0.00 0.00 55.73 54.36 2jf0 s ARG 18 Cb -0.09 -3.09 0.23 0.00 -1.56 0.00 0.00 34.95 30.44 2jf0 s ARG 18 CO 0.02 -0.52 1.30 0.20 -0.81 0.00 0.00 175.30 175.49 2jf0 s GLY 19 N 1.29 1.77 0.04 8.12 0.00 0.11 0.30 107.32 118.95 2jf0 s GLY 19 Ca -0.03 -1.24 0.08 0.00 0.00 0.00 0.00 44.72 43.54 2jf0 s GLY 19 CO -0.03 -0.41 -0.23 -1.50 0.00 0.00 0.00 173.10 170.94 2jf0 s ILE 20 N -3.78 2.44 -0.24 0.90 2.07 0.72 -4.77 121.20 118.53 2jf0 s ILE 20 Ca 0.75 -1.28 -0.29 0.00 -1.41 0.00 0.00 60.65 58.42 2jf0 s ILE 20 Cb -0.04 -1.98 0.01 0.00 0.13 0.00 0.00 42.46 40.58 2jf0 s ILE 20 CO 0.54 0.37 1.11 -0.60 -1.91 0.00 0.00 174.94 174.44 2jf0 s ARG 21 N -1.29 4.19 0.03 3.50 3.52 -1.26 -0.26 118.95 127.38 2jf0 s ARG 21 Ca 0.13 1.35 0.04 0.00 -0.13 0.00 0.00 55.73 57.11 2jf0 s ARG 21 Cb -0.10 -3.70 -0.04 0.00 -1.56 0.00 0.00 34.95 29.55 2jf0 s ARG 21 CO 0.03 -0.74 -0.04 -0.51 -0.81 0.00 0.00 175.30 173.24 2jf0 s LEU 22 N 3.43 3.32 -0.15 -0.88 1.43 0.13 -4.95 118.68 121.02 2jf0 s LEU 22 Ca 0.47 -0.14 -0.20 0.00 -1.03 0.00 0.00 54.13 53.23 2jf0 s LEU 22 Cb -0.16 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 2jf0 s LEU 22 CO 0.11 0.25 0.55 -1.59 0.23 0.00 0.00 176.35 175.90 2jf0 s LYS 23 N -1.75 4.29 0.13 1.70 0.00 -1.26 0.31 119.74 123.16 2jf0 s LYS 23 Ca 0.20 0.54 0.06 0.00 0.00 0.00 0.00 55.97 56.77 2jf0 s LYS 23 Cb -0.11 -3.50 -0.04 0.00 0.00 0.00 0.00 37.83 34.18 2jf0 s LYS 23 CO 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 175.35 175.44 2jf0 s ALA 24 N 1.16 3.22 0.44 0.59 0.00 0.11 -4.92 121.76 122.36 2jf0 s ALA 24 Ca 0.28 -1.24 0.25 0.00 0.00 0.00 0.00 51.96 51.25 2jf0 s ALA 24 Cb -0.16 -1.08 1.27 0.00 0.00 0.00 0.00 23.12 23.16 2jf0 s ALA 24 CO 0.11 0.60 1.75 -1.35 0.00 0.00 0.00 175.76 176.87 2jf0 h PRO 25 N 3.14 0.23 -0.44 0.00 0.11 -1.96 0.38 132.00 133.47 2jf0 h PRO 25 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2jf0 h PRO 25 Cb 1.18 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2jf0 h PRO 25 CO 0.58 0.16 0.00 0.41 -0.21 0.00 0.00 178.00 178.93 2jf0 n GLY 26 N -1.56 3.32 0.00 -0.55 0.00 -1.26 -5.05 105.19 100.10 2jf0 n GLY 26 Ca 0.28 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2jf0 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jf0 n GLY 27 N 0.28 0.58 3.79 -0.02 0.00 0.13 -5.05 105.19 104.91 2jf0 n GLY 27 Ca 0.23 -1.61 -0.35 0.00 0.00 0.00 0.00 46.02 44.29 2jf0 n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jf0 s PRO 28 N -1.58 3.70 0.00 1.61 0.04 -1.26 0.08 135.00 137.59 2jf0 s PRO 28 Ca 0.00 1.50 0.05 0.00 0.04 0.00 0.00 61.00 62.59 2jf0 s PRO 28 Cb 0.00 -2.15 -0.01 0.00 0.04 0.00 0.00 34.50 32.38 2jf0 s PRO 28 CO 0.00 -0.54 -0.15 0.14 0.04 0.00 0.00 177.00 176.49 2jf0 s VAL 29 N -1.83 1.17 -0.36 -0.36 -7.23 0.15 -3.32 120.40 108.61 2jf0 s VAL 29 Ca 0.67 -0.72 -0.28 0.00 -1.81 0.00 0.00 61.98 59.84 2jf0 s VAL 29 Cb -0.21 -0.99 0.02 0.00 0.56 0.00 0.00 36.38 35.76 2jf0 s VAL 29 CO 0.24 0.26 1.03 -0.44 -0.31 0.00 0.00 175.10 175.88 2jf0 s SER 30 N -0.54 6.79 -0.22 4.85 0.01 -0.85 0.19 113.70 123.93 2jf0 s SER 30 Ca 0.05 0.78 -0.06 0.00 1.31 0.00 0.00 55.95 58.03 2jf0 s SER 30 Cb -0.06 -2.51 -0.02 0.00 0.21 0.00 0.00 66.02 63.63 2jf0 s SER 30 CO -0.00 -0.93 0.02 0.00 0.41 0.00 0.00 173.24 172.73 2jf0 s ALA 31 N 3.72 3.05 -0.55 1.44 0.00 0.64 -0.84 121.76 129.21 2jf0 s ALA 31 Ca 0.43 -1.05 -0.06 0.00 0.00 0.00 0.00 51.96 51.28 2jf0 s ALA 31 Cb -0.11 -1.86 0.14 0.00 0.00 0.00 0.00 23.12 21.29 2jf0 s ALA 31 CO 0.19 -0.28 0.40 -0.06 0.00 0.00 0.00 175.76 176.01 2jf0 s PHE 32 N 1.23 3.49 -0.12 0.00 0.40 0.21 -0.20 117.98 123.00 2jf0 s PHE 32 Ca 0.04 -2.30 -0.04 0.00 -0.60 0.00 0.00 56.93 54.03 2jf0 s PHE 32 Cb -0.15 -3.38 -0.04 0.00 0.51 0.00 0.00 43.02 39.97 2jf0 s PHE 32 CO 0.02 -0.94 0.04 -0.51 0.70 0.00 0.00 175.22 174.52 2jf0 s LEU 33 N 0.68 3.75 0.00 -0.37 1.43 0.56 0.22 118.68 124.96 2jf0 s LEU 33 Ca 0.12 0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.38 2jf0 s LEU 33 Cb -0.22 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.11 2jf0 s LEU 33 CO -0.03 0.32 0.00 0.61 0.23 0.00 0.00 176.35 177.48 2jf0 n GLY 34 N 2.54 0.73 3.70 -3.19 0.00 -0.93 -3.32 105.19 104.72 2jf0 n GLY 34 Ca -0.18 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 2jf0 n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jf0 s ILE 35 N -2.45 4.84 0.04 -0.61 1.01 0.13 -4.77 121.20 119.38 2jf0 s ILE 35 Ca 0.00 2.04 -0.29 0.00 0.00 0.00 0.00 60.65 62.40 2jf0 s ILE 35 Cb 0.00 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 2jf0 s ILE 35 CO 0.00 0.10 0.93 -2.16 0.00 0.00 0.00 174.94 173.81 2jf0 s PRO 36 N 1.42 4.59 0.00 2.79 0.04 -1.26 0.32 135.00 142.90 2jf0 s PRO 36 Ca 0.50 1.36 0.10 0.00 0.04 0.00 0.00 61.00 63.00 2jf0 s PRO 36 Cb -0.20 -3.42 -0.11 0.00 0.04 0.00 0.00 34.50 30.81 2jf0 s PRO 36 CO 0.24 0.07 0.44 1.97 0.04 0.00 0.00 177.00 179.76 2jf0 n PHE 37 N 3.43 0.00 -4.07 0.56 1.16 -0.84 -4.81 117.46 112.89 2jf0 n PHE 37 Ca 0.03 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.51 2jf0 n PHE 37 Cb 0.50 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.27 2jf0 n PHE 37 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2jf0 s ALA 38 N -1.94 0.56 0.22 1.98 0.00 -1.22 -2.44 121.76 118.93 2jf0 s ALA 38 Ca 0.04 -0.95 -0.32 0.00 0.00 0.00 0.00 51.96 50.73 2jf0 s ALA 38 Cb 0.08 0.14 -0.13 0.00 0.00 0.00 0.00 23.12 23.20 2jf0 s ALA 38 CO 0.41 -0.17 1.56 0.39 0.00 0.00 0.00 175.76 177.96 2jf0 n GLU 39 N 0.89 2.36 -1.68 0.00 -0.58 0.09 -4.43 120.64 117.28 2jf0 n GLU 39 Ca -0.19 0.85 -0.51 0.00 -0.42 0.00 0.00 57.16 56.89 2jf0 n GLU 39 Cb 0.57 -2.60 -0.05 0.00 -0.57 0.00 0.00 31.44 28.79 2jf0 n GLU 39 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 2jf0 n PRO 40 N 2.86 1.84 -1.43 3.49 -0.02 -1.26 -4.62 135.00 135.86 2jf0 n PRO 40 Ca 0.13 0.67 -0.40 0.00 -2.02 0.00 0.00 63.50 61.89 2jf0 n PRO 40 Cb 0.32 -2.45 -0.02 0.00 -0.02 0.00 0.00 33.50 31.33 2jf0 n PRO 40 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2jf0 n PRO 41 N 5.62 3.64 -3.91 0.52 -0.04 -1.26 -4.85 135.00 134.72 2jf0 n PRO 41 Ca 0.23 -2.36 -0.23 0.00 -0.04 0.00 0.00 63.50 61.10 2jf0 n PRO 41 Cb 0.24 -2.86 -0.05 0.00 -0.04 0.00 0.00 33.50 30.79 2jf0 n PRO 41 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2jf0 s VAL 42 N 2.08 2.76 0.00 0.52 -7.23 -1.26 -3.16 120.40 114.11 2jf0 s VAL 42 Ca 0.65 -1.55 0.00 0.00 -1.81 0.00 0.00 61.98 59.27 2jf0 s VAL 42 Cb 0.17 -3.01 0.00 0.00 0.56 0.00 0.00 36.38 34.10 2jf0 s VAL 42 CO -0.07 -0.07 0.00 0.61 -0.31 0.00 0.00 175.10 175.26 2jf0 n GLY 43 N -1.32 3.75 0.08 2.32 0.00 -1.26 -0.86 105.19 107.89 2jf0 n GLY 43 Ca -0.00 0.21 0.12 0.00 0.00 0.00 0.00 46.02 46.35 2jf0 n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jf0 n SER 44 N 7.41 0.49 -0.12 1.61 3.41 -1.26 -2.40 113.62 122.76 2jf0 n SER 44 Ca 0.00 0.58 0.13 0.00 -0.26 0.00 0.00 58.87 59.32 2jf0 n SER 44 Cb 0.00 -0.70 0.47 0.00 -0.26 0.00 0.00 64.21 63.72 2jf0 n SER 44 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2jf0 n ARG 45 N -1.99 0.53 -1.70 4.33 5.12 -0.04 -4.79 116.66 118.12 2jf0 n ARG 45 Ca 0.04 -0.24 -0.43 0.00 -1.93 0.00 0.00 57.85 55.29 2jf0 n ARG 45 Cb 0.31 -1.49 -0.02 0.00 -1.16 0.00 0.00 32.46 30.09 2jf0 n ARG 45 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2jf0 n ARG 46 N -1.02 2.24 -0.84 5.56 0.63 -1.01 -1.03 116.66 121.18 2jf0 n ARG 46 Ca 0.11 0.79 0.00 0.00 -0.92 0.00 0.00 57.85 57.83 2jf0 n ARG 46 Cb 0.32 -2.46 0.00 0.00 0.45 0.00 0.00 32.46 30.76 2jf0 n ARG 46 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2jf0 n PHE 47 N 1.54 0.00 -4.12 -0.14 3.72 -1.26 -4.91 117.46 112.29 2jf0 n PHE 47 Ca 0.09 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.17 2jf0 n PHE 47 Cb 0.34 -0.84 -0.07 0.00 -0.94 0.00 0.00 39.48 37.96 2jf0 n PHE 47 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 2jf0 s MET 48 N -0.68 2.97 0.22 -1.08 -1.94 -0.20 -4.06 119.30 114.53 2jf0 s MET 48 Ca 0.00 -0.56 -0.29 0.00 -1.71 0.00 0.00 55.69 53.14 2jf0 s MET 48 Cb 0.00 -2.79 -0.16 0.00 2.01 0.00 0.00 34.83 33.89 2jf0 s MET 48 CO 0.00 0.62 0.73 -2.30 -0.01 0.00 0.00 175.02 174.06 2jf0 n PRO 49 N 1.04 0.49 -1.96 2.03 -0.02 -1.26 -4.86 135.00 130.47 2jf0 n PRO 49 Ca -0.12 0.17 -0.40 0.00 -2.02 0.00 0.00 63.50 61.13 2jf0 n PRO 49 Cb 0.52 -1.33 -0.01 0.00 -0.02 0.00 0.00 33.50 32.67 2jf0 n PRO 49 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2jf0 s PRO 50 N -1.12 4.13 -0.01 0.52 0.04 -1.26 -5.02 135.00 132.28 2jf0 s PRO 50 Ca 0.63 2.36 -0.08 0.00 0.04 0.00 0.00 61.00 63.96 2jf0 s PRO 50 Cb -0.86 -2.94 -0.05 0.00 0.04 0.00 0.00 34.50 30.69 2jf0 s PRO 50 CO 0.57 -0.43 0.28 -1.21 0.04 0.00 0.00 177.00 176.25 2jf0 s GLU 51 N -2.05 3.61 0.29 4.56 2.02 -1.26 -5.00 118.70 120.88 2jf0 s GLU 51 Ca 0.53 -0.01 -0.29 0.00 0.02 0.00 0.00 54.97 55.23 2jf0 s GLU 51 Cb -0.42 -3.10 -0.14 0.00 0.10 0.00 0.00 34.13 30.57 2jf0 s GLU 51 CO 0.56 0.66 1.13 -0.35 0.02 0.00 0.00 175.26 177.29 2jf0 n PRO 52 N 1.30 1.62 -1.82 0.39 -0.04 -1.26 -0.73 135.00 134.47 2jf0 n PRO 52 Ca -0.13 0.57 -0.42 0.00 -0.04 0.00 0.00 63.50 63.48 2jf0 n PRO 52 Cb 0.53 -2.03 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 2jf0 n PRO 52 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2jf0 s LYS 53 N -1.50 4.16 0.45 0.54 2.47 -1.02 -4.00 119.74 120.84 2jf0 s LYS 53 Ca 0.59 2.47 -0.25 0.00 -1.56 0.00 0.00 55.97 57.21 2jf0 s LYS 53 Cb -0.67 -3.66 -0.08 0.00 -1.46 0.00 0.00 37.83 31.96 2jf0 s LYS 53 CO 0.59 -0.81 1.43 1.03 0.16 0.00 0.00 175.35 177.76 2jf0 s ARG 54 N 2.89 3.67 0.53 4.03 0.52 -1.26 -4.89 118.95 124.45 2jf0 s ARG 54 Ca 0.78 2.43 -0.20 0.00 -0.52 0.00 0.00 55.73 58.23 2jf0 s ARG 54 Cb -0.42 -2.65 -0.08 0.00 0.52 0.00 0.00 34.95 32.31 2jf0 s ARG 54 CO 0.35 -0.83 0.73 -2.30 0.02 0.00 0.00 175.30 173.27 2jf0 n PRO 55 N -0.21 0.77 -4.54 3.54 -0.02 -1.26 -4.99 135.00 128.29 2jf0 n PRO 55 Ca 0.05 0.29 -0.26 0.00 -2.02 0.00 0.00 63.50 61.57 2jf0 n PRO 55 Cb 0.42 -1.86 -0.11 0.00 -0.02 0.00 0.00 33.50 31.93 2jf0 n PRO 55 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 2jf0 s TRP 56 N -1.55 2.36 0.30 6.00 -2.14 0.59 -5.02 118.94 119.48 2jf0 s TRP 56 Ca 0.69 -0.55 0.01 0.00 2.66 0.00 0.00 56.10 58.90 2jf0 s TRP 56 Cb -0.48 -1.40 -0.04 0.00 -3.10 0.00 0.00 33.47 28.45 2jf0 s TRP 56 CO 0.53 0.52 0.49 -1.54 -2.66 0.00 0.00 176.95 174.30 2jf0 s SER 57 N -3.60 6.32 0.87 -2.66 1.04 -1.26 -4.56 113.70 109.84 2jf0 s SER 57 Ca 0.33 0.40 0.00 0.00 0.48 0.00 0.00 55.95 57.15 2jf0 s SER 57 Cb 0.04 -2.01 0.00 0.00 0.10 0.00 0.00 66.02 64.15 2jf0 s SER 57 CO 0.16 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.78 2jf0 n GLY 58 N -1.49 1.52 3.12 7.32 0.00 -1.26 -4.55 105.19 109.86 2jf0 n GLY 58 Ca -0.05 -0.53 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 2jf0 n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jf0 s VAL 59 N 0.00 2.78 -0.08 1.61 1.01 -1.26 -3.37 120.40 121.09 2jf0 s VAL 59 Ca 0.00 -1.66 -0.30 0.00 0.00 0.00 0.00 61.98 60.02 2jf0 s VAL 59 Cb 0.00 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 2jf0 s VAL 59 CO 0.00 -0.24 1.43 -0.22 0.00 0.00 0.00 175.10 176.07 2jf0 s LEU 60 N 1.16 4.26 -0.69 3.92 2.96 0.34 -4.79 118.68 125.85 2jf0 s LEU 60 Ca -0.02 1.98 -0.26 0.00 -0.22 0.00 0.00 54.13 55.62 2jf0 s LEU 60 Cb -0.20 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 2jf0 s LEU 60 CO -0.03 -0.80 1.99 -0.62 -1.32 0.00 0.00 176.35 175.56 2jf0 s ASP 61 N 2.42 5.05 -0.91 3.68 3.68 -1.26 -0.87 116.67 128.45 2jf0 s ASP 61 Ca 0.63 0.14 -0.00 0.00 2.13 0.00 0.00 52.55 55.45 2jf0 s ASP 61 Cb -0.28 -2.54 0.34 0.00 -1.45 0.00 0.00 42.92 38.99 2jf0 s ASP 61 CO 0.23 -2.63 1.77 0.00 0.13 0.00 0.00 175.17 174.67 2jf0 n ALA 62 N 13.84 6.03 0.03 3.66 0.00 0.15 -4.58 120.51 139.64 2jf0 n ALA 62 Ca 0.29 -4.46 0.01 0.00 0.00 0.00 0.00 53.44 49.28 2jf0 n ALA 62 Cb 0.51 -1.92 -0.01 0.00 0.00 0.00 0.00 19.45 18.02 2jf0 n ALA 62 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2jf0 n THR 63 N -0.24 0.00 -4.32 0.00 -2.24 -1.21 -0.32 114.28 105.96 2jf0 n THR 63 Ca 0.47 -0.17 -0.24 0.00 -2.27 0.00 0.00 64.05 61.84 2jf0 n THR 63 Cb 0.28 0.62 -0.12 0.00 -2.10 0.00 0.00 70.33 69.01 2jf0 n THR 63 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2jf0 s THR 64 N -1.84 1.85 0.40 4.28 -1.32 -1.26 -4.75 115.64 113.00 2jf0 s THR 64 Ca -0.00 -1.69 -0.27 0.00 -1.21 0.00 0.00 61.69 58.53 2jf0 s THR 64 Cb 0.01 -1.71 -0.10 0.00 -1.51 0.00 0.00 72.50 69.19 2jf0 s THR 64 CO 0.08 -0.10 1.40 0.49 -2.21 0.00 0.00 174.62 174.28 2jf0 n PHE 65 N 0.84 2.65 -2.14 9.09 3.72 -1.26 -3.74 117.46 126.61 2jf0 n PHE 65 Ca -0.17 0.47 -0.28 0.00 -0.05 0.00 0.00 57.45 57.42 2jf0 n PHE 65 Cb 0.54 -2.47 0.17 0.00 -0.94 0.00 0.00 39.48 36.78 2jf0 n PHE 65 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2jf0 s GLN 66 N -2.20 0.91 0.57 -1.08 -1.52 -1.26 -4.90 119.66 110.18 2jf0 s GLN 66 Ca 0.57 -0.66 -0.21 0.00 -1.95 0.00 0.00 55.36 53.12 2jf0 s GLN 66 Cb -0.49 -1.99 -0.04 0.00 -0.22 0.00 0.00 33.01 30.27 2jf0 s GLN 66 CO 0.61 -2.15 1.27 0.09 -0.25 0.00 0.00 175.29 174.85 2jf0 n ASN 67 N -3.50 2.20 -4.76 5.90 3.02 -1.26 -4.85 115.26 112.01 2jf0 n ASN 67 Ca 0.16 0.92 -0.39 0.00 -0.03 0.00 0.00 54.58 55.24 2jf0 n ASN 67 Cb 0.60 -1.53 -0.06 0.00 -0.61 0.00 0.00 39.78 38.18 2jf0 n ASN 67 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jf0 s VAL 68 N -1.34 4.01 0.56 2.41 1.01 -0.39 -4.55 120.40 122.10 2jf0 s VAL 68 Ca 0.74 1.92 -0.21 0.00 0.00 0.00 0.00 61.98 64.44 2jf0 s VAL 68 Cb -0.42 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 31.74 2jf0 s VAL 68 CO 0.47 0.38 1.28 0.00 0.00 0.00 0.00 175.10 177.24 2jf0 s TYR 70 N -1.42 2.41 0.10 0.00 5.04 -0.63 -4.61 117.35 118.24 2jf0 s TYR 70 Ca 0.73 0.25 -0.22 0.00 -2.44 0.00 0.00 57.07 55.40 2jf0 s TYR 70 Cb -0.36 -4.02 0.06 0.00 0.35 0.00 0.00 41.96 37.98 2jf0 s TYR 70 CO 0.41 -4.11 0.53 1.14 -1.34 0.00 0.00 175.55 172.18 2jf0 s GLN 71 N 2.50 1.14 0.23 4.97 -2.07 -1.26 -4.57 119.66 120.59 2jf0 s GLN 71 Ca 0.75 -0.40 -0.31 0.00 -1.82 0.00 0.00 55.36 53.58 2jf0 s GLN 71 Cb -0.42 0.52 -0.13 0.00 -1.09 0.00 0.00 33.01 31.89 2jf0 s GLN 71 CO 0.33 -0.45 1.48 0.98 -1.32 0.00 0.00 175.29 176.31 2jf0 n TYR 72 N -0.00 2.32 -3.89 9.60 4.19 -1.25 -4.98 117.16 123.14 2jf0 n TYR 72 Ca -0.17 0.36 -0.35 0.00 3.31 0.00 0.00 57.90 61.04 2jf0 n TYR 72 Cb 0.63 -2.50 -0.08 0.00 0.49 0.00 0.00 39.34 37.87 2jf0 n TYR 72 CO 0.00 0.00 0.00 0.08 0.91 0.00 0.00 176.86 177.85 2jf0 s VAL 73 N 0.15 5.20 -0.19 2.97 1.01 -1.26 -4.83 120.40 123.45 2jf0 s VAL 73 Ca 0.69 0.11 -0.29 0.00 0.00 0.00 0.00 61.98 62.49 2jf0 s VAL 73 Cb -0.62 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 2jf0 s VAL 73 CO 0.47 0.51 1.36 -0.62 0.00 0.00 0.00 175.10 176.82 2jf0 s ASP 74 N -0.15 6.77 0.00 3.32 3.68 -1.26 -4.87 116.67 124.17 2jf0 s ASP 74 Ca 0.09 1.63 0.13 0.00 2.13 0.00 0.00 52.55 56.53 2jf0 s ASP 74 Cb -0.12 -2.54 0.25 0.00 -1.45 0.00 0.00 42.92 39.07 2jf0 s ASP 74 CO 0.01 -0.92 1.14 0.35 0.13 0.00 0.00 175.17 175.88 2jf0 n THR 75 N 5.72 0.60 -0.11 1.71 -2.24 -1.26 -4.73 114.28 113.97 2jf0 n THR 75 Ca 0.15 -0.80 -0.06 0.00 -2.27 0.00 0.00 64.05 61.07 2jf0 n THR 75 Cb 0.45 0.81 0.02 0.00 -2.10 0.00 0.00 70.33 69.51 2jf0 n THR 75 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2jf0 h LEU 76 N 2.44 0.11 -6.68 3.22 5.85 -2.01 -3.28 115.31 114.96 2jf0 h LEU 76 Ca 0.00 0.05 -0.61 0.00 0.84 0.00 0.00 57.88 58.16 2jf0 h LEU 76 Cb 0.68 0.04 -0.41 0.00 0.37 0.00 0.00 40.66 41.34 2jf0 h LEU 76 CO 0.00 0.10 -0.67 -1.22 -0.34 0.00 0.00 178.44 176.30 2jf0 n TYR 77 N -5.04 2.48 -1.68 1.25 4.01 -1.26 -5.09 117.16 111.82 2jf0 n TYR 77 Ca 0.01 -4.07 -0.45 0.00 -0.16 0.00 0.00 57.90 53.23 2jf0 n TYR 77 Cb 0.14 -0.46 -0.04 0.00 -0.31 0.00 0.00 39.34 38.68 2jf0 n TYR 77 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 2jf0 n PRO 78 N 1.78 2.37 -0.47 -0.72 -0.02 -1.24 -1.46 135.00 135.24 2jf0 n PRO 78 Ca 0.24 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.58 2jf0 n PRO 78 Cb 0.40 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 2jf0 n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jf0 n GLY 79 N 3.68 1.17 3.67 -1.23 0.00 -1.26 -5.02 105.19 106.19 2jf0 n GLY 79 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2jf0 n GLY 79 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jf0 s PHE 80 N -3.13 3.40 0.43 1.61 5.36 -0.54 -4.93 117.98 120.18 2jf0 s PHE 80 Ca 0.00 1.21 0.18 0.00 -0.96 0.00 0.00 56.93 57.36 2jf0 s PHE 80 Cb 0.00 -3.00 1.11 0.00 -0.34 0.00 0.00 43.02 40.79 2jf0 s PHE 80 CO 0.00 -0.25 1.87 1.49 -1.46 0.00 0.00 175.22 176.87 2jf0 h GLU 81 N 7.39 0.36 -0.68 10.12 4.57 -1.95 0.37 114.58 134.75 2jf0 h GLU 81 Ca -0.29 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 57.84 2jf0 h GLU 81 Cb 1.13 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.60 2jf0 h GLU 81 CO 0.84 0.24 0.31 0.78 -1.18 0.00 0.00 179.01 180.00 2jf0 h GLY 82 N 0.37 1.05 0.30 1.92 0.00 -1.92 -1.35 103.07 103.45 2jf0 h GLY 82 Ca 0.44 -0.52 -0.34 0.00 0.00 0.00 0.00 47.33 46.92 2jf0 h GLY 82 CO -0.15 0.49 -1.89 -1.30 0.00 0.00 0.00 176.54 173.68 2jf0 n THR 83 N -4.33 1.65 -0.32 4.70 -2.24 -0.58 -4.47 114.28 108.70 2jf0 n THR 83 Ca 0.06 -0.44 0.06 0.00 -2.27 0.00 0.00 64.05 61.46 2jf0 n THR 83 Cb 0.15 -1.80 0.25 0.00 -2.10 0.00 0.00 70.33 66.83 2jf0 n THR 83 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2jf0 h GLU 84 N -0.35 0.97 0.00 -0.78 4.39 -0.25 -2.04 114.58 116.52 2jf0 h GLU 84 Ca -0.45 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.19 2jf0 h GLU 84 Cb 1.77 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 30.20 2jf0 h GLU 84 CO -0.07 0.64 0.00 0.00 -1.16 0.00 0.00 179.01 178.42 2jf0 n MET 85 N -4.53 0.06 -0.01 2.33 0.00 -0.52 0.15 117.12 114.61 2jf0 n MET 85 Ca 0.16 0.50 0.08 0.00 0.00 0.00 0.00 57.70 58.44 2jf0 n MET 85 Cb 0.27 -1.68 -0.12 0.00 0.00 0.00 0.00 33.22 31.70 2jf0 n MET 85 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 175.97 176.88 2jf0 n TRP 86 N -1.80 0.00 -1.40 3.17 7.02 -0.78 -4.70 117.44 118.95 2jf0 n TRP 86 Ca 0.00 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.16 2jf0 n TRP 86 Cb 0.06 -0.29 0.09 0.00 -2.42 0.00 0.00 31.31 28.74 2jf0 n TRP 86 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 2jf0 s ASN 87 N -3.59 4.36 0.17 -0.99 0.01 0.12 -4.60 114.94 110.43 2jf0 s ASN 87 Ca -0.03 2.11 -0.34 0.00 -0.71 0.00 0.00 52.86 53.90 2jf0 s ASN 87 Cb 0.11 -2.56 -0.14 0.00 0.41 0.00 0.00 41.25 39.07 2jf0 s ASN 87 CO 0.68 -2.14 1.61 -2.65 -1.51 0.00 0.00 177.10 173.09 2jf0 n PRO 88 N -2.99 2.27 -0.35 -0.60 -0.02 -1.26 -4.87 135.00 127.18 2jf0 n PRO 88 Ca 0.11 0.82 0.07 0.00 -2.02 0.00 0.00 63.50 62.48 2jf0 n PRO 88 Cb 0.52 -2.60 0.23 0.00 -0.02 0.00 0.00 33.50 31.62 2jf0 n PRO 88 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2jf0 n ASN 89 N 3.53 3.58 -4.18 2.55 6.94 -1.26 -4.94 115.26 121.48 2jf0 n ASN 89 Ca 0.17 -2.48 -0.11 0.00 -0.02 0.00 0.00 54.58 52.14 2jf0 n ASN 89 Cb 0.30 -0.41 -0.10 0.00 -2.36 0.00 0.00 39.78 37.21 2jf0 n ASN 89 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2jf0 s ARG 90 N -1.86 1.13 0.27 -3.83 1.81 -1.26 -5.06 118.95 110.15 2jf0 s ARG 90 Ca 0.35 -1.57 -0.30 0.00 -1.72 0.00 0.00 55.73 52.49 2jf0 s ARG 90 Cb 0.24 0.27 -0.13 0.00 -0.45 0.00 0.00 34.95 34.87 2jf0 s ARG 90 CO 0.14 -0.36 1.28 0.39 -0.68 0.00 0.00 175.30 176.07 2jf0 n GLU 91 N -0.22 1.86 -2.61 3.54 -0.58 -1.26 -4.46 120.64 116.90 2jf0 n GLU 91 Ca -0.00 0.66 -0.41 0.00 -0.42 0.00 0.00 57.16 56.99 2jf0 n GLU 91 Cb 0.65 -2.23 -0.04 0.00 -0.57 0.00 0.00 31.44 29.25 2jf0 n GLU 91 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2jf0 s LEU 92 N -0.13 4.50 0.01 -4.62 1.43 -1.26 -1.27 118.68 117.34 2jf0 s LEU 92 Ca 0.63 1.96 -0.20 0.00 -1.03 0.00 0.00 54.13 55.49 2jf0 s LEU 92 Cb -0.65 -3.60 0.04 0.00 0.03 0.00 0.00 46.19 42.01 2jf0 s LEU 92 CO 0.56 -0.14 0.45 -0.55 0.23 0.00 0.00 176.35 176.90 2jf0 s SER 93 N -0.13 -0.35 0.45 2.29 0.15 0.05 -4.91 113.70 111.25 2jf0 s SER 93 Ca 0.48 0.20 0.28 0.00 0.70 0.00 0.00 55.95 57.61 2jf0 s SER 93 Cb -0.27 0.42 0.88 0.00 -1.71 0.00 0.00 66.02 65.35 2jf0 s SER 93 CO 0.33 -0.59 1.79 -0.33 1.20 0.00 0.00 173.24 175.64 2jf0 h GLU 94 N 3.25 0.00 -5.46 5.44 5.08 -1.93 -1.68 114.58 119.28 2jf0 h GLU 94 Ca -0.30 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.42 2jf0 h GLU 94 Cb 1.18 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.29 2jf0 h GLU 94 CO 0.41 0.00 0.90 0.34 -1.00 0.00 0.00 179.01 179.66 2jf0 s ASP 95 N -5.63 6.44 0.00 1.42 -1.08 -1.26 -4.08 116.67 112.47 2jf0 s ASP 95 Ca 0.05 -1.51 0.00 0.00 -0.52 0.00 0.00 52.55 50.57 2jf0 s ASP 95 Cb 0.08 -2.45 0.00 0.00 -1.46 0.00 0.00 42.92 39.09 2jf0 s ASP 95 CO 0.58 -1.32 0.13 0.00 0.52 0.00 0.00 175.17 175.08 2jf0 n LEU 97 N 0.00 5.72 -4.09 0.00 4.77 -1.26 -4.38 117.00 117.76 2jf0 n LEU 97 Ca 0.00 -3.82 -0.17 0.00 -0.03 0.00 0.00 56.01 51.99 2jf0 n LEU 97 Cb 0.37 -1.59 -0.13 0.00 -2.33 0.00 0.00 43.42 39.74 2jf0 n LEU 97 CO 0.00 0.46 -0.44 -0.31 -1.33 0.00 0.00 177.39 175.77 2jf0 s TYR 98 N 4.24 0.94 0.27 -1.77 2.02 -1.26 -1.99 117.35 119.80 2jf0 s TYR 98 Ca 0.52 -0.35 0.11 0.00 -0.37 0.00 0.00 57.07 56.98 2jf0 s TYR 98 Cb 0.11 -0.56 -0.05 0.00 -0.40 0.00 0.00 41.96 41.06 2jf0 s TYR 98 CO -0.00 -0.00 -0.17 -0.48 -1.57 0.00 0.00 175.55 173.32 2jf0 s LEU 99 N -1.09 2.68 -0.06 -1.29 0.05 0.15 0.42 118.68 119.54 2jf0 s LEU 99 Ca -0.02 -0.95 0.06 0.00 0.05 0.00 0.00 54.13 53.28 2jf0 s LEU 99 Cb -0.07 -1.22 -0.01 0.00 -2.05 0.00 0.00 46.19 42.84 2jf0 s LEU 99 CO 0.01 0.04 -0.24 0.20 -0.55 0.00 0.00 176.35 175.81 2jf0 s ASN 100 N -3.45 3.19 -0.18 1.48 0.01 0.25 0.18 114.94 116.42 2jf0 s ASN 100 Ca 0.29 -0.47 0.01 0.00 -0.71 0.00 0.00 52.86 51.98 2jf0 s ASN 100 Cb -0.06 -0.82 0.03 0.00 0.41 0.00 0.00 41.25 40.81 2jf0 s ASN 100 CO 0.15 0.26 -0.17 -0.69 -1.51 0.00 0.00 177.10 175.14 2jf0 s VAL 101 N -0.24 1.91 -0.17 1.60 1.01 0.13 -0.55 120.40 124.10 2jf0 s VAL 101 Ca -0.01 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 60.92 2jf0 s VAL 101 Cb -0.13 -1.80 -0.05 0.00 0.00 0.00 0.00 36.38 34.40 2jf0 s VAL 101 CO 0.03 0.42 0.18 0.26 0.00 0.00 0.00 175.10 175.99 2jf0 s TRP 102 N 1.33 3.46 0.32 5.22 0.51 0.59 0.66 118.94 131.04 2jf0 s TRP 102 Ca 0.03 0.45 0.06 0.00 -2.12 0.00 0.00 56.10 54.52 2jf0 s TRP 102 Cb -0.14 -2.17 -0.06 0.00 -0.81 0.00 0.00 33.47 30.29 2jf0 s TRP 102 CO -0.11 0.36 -0.02 0.95 -0.51 0.00 0.00 176.95 177.63 2jf0 s THR 103 N 0.11 1.65 0.84 2.01 -4.23 -0.02 -0.44 115.64 115.55 2jf0 s THR 103 Ca 0.12 -2.07 -0.11 0.00 -1.18 0.00 0.00 61.69 58.44 2jf0 s THR 103 Cb -0.12 -2.67 0.10 0.00 1.34 0.00 0.00 72.50 71.15 2jf0 s THR 103 CO 0.01 -0.15 1.13 -2.84 -0.54 0.00 0.00 174.62 172.23 2jf0 s PRO 104 N -3.76 1.61 -0.15 3.99 0.02 -1.26 -2.00 135.00 133.44 2jf0 s PRO 104 Ca 0.33 1.44 -0.00 0.00 0.02 0.00 0.00 61.00 62.78 2jf0 s PRO 104 Cb 0.06 -1.80 0.03 0.00 0.02 0.00 0.00 34.50 32.81 2jf0 s PRO 104 CO 0.15 -2.17 -0.09 -0.47 -0.33 0.00 0.00 177.00 174.08 2jf0 s TYR 105 N -2.66 1.89 0.78 6.54 6.04 -1.21 -2.59 117.35 126.14 2jf0 s TYR 105 Ca 0.66 -1.12 -0.11 0.00 0.04 0.00 0.00 57.07 56.54 2jf0 s TYR 105 Cb -0.21 -1.42 0.06 0.00 -1.04 0.00 0.00 41.96 39.35 2jf0 s TYR 105 CO 0.55 -0.63 1.09 -1.25 -1.54 0.00 0.00 175.55 173.78 2jf0 s PRO 106 N 1.57 2.19 0.37 4.97 0.04 -1.26 -4.62 135.00 138.27 2jf0 s PRO 106 Ca 0.03 1.10 -0.27 0.00 0.04 0.00 0.00 61.00 61.90 2jf0 s PRO 106 Cb -0.14 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 2jf0 s PRO 106 CO -0.09 -1.67 1.22 -0.98 0.04 0.00 0.00 177.00 175.52 2jf0 s ARG 107 N -4.92 4.18 0.06 4.56 1.70 -1.07 -4.83 118.95 118.63 2jf0 s ARG 107 Ca 0.61 1.98 -0.38 0.00 -0.47 0.00 0.00 55.73 57.48 2jf0 s ARG 107 Cb -0.17 -2.85 -0.18 0.00 -0.57 0.00 0.00 34.95 31.18 2jf0 s ARG 107 CO 0.56 -0.25 1.22 -2.30 -1.08 0.00 0.00 175.30 173.45 2jf0 n PRO 108 N 0.39 0.71 -0.36 3.89 -0.02 -1.26 -4.85 135.00 133.49 2jf0 n PRO 108 Ca 0.02 0.26 -0.00 0.00 -2.02 0.00 0.00 63.50 61.76 2jf0 n PRO 108 Cb 0.45 -1.83 0.13 0.00 -0.02 0.00 0.00 33.50 32.23 2jf0 n PRO 108 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jf0 h ALA 109 N 3.88 1.29 -4.02 3.55 0.00 -1.93 -3.44 119.26 118.59 2jf0 h ALA 109 Ca -0.48 -0.05 -0.64 0.00 0.00 0.00 0.00 54.91 53.74 2jf0 h ALA 109 Cb 1.37 -0.35 -0.24 0.00 0.00 0.00 0.00 17.79 18.57 2jf0 h ALA 109 CO 0.72 0.54 -0.86 -1.54 0.00 0.00 0.00 179.25 178.11 2jf0 s SER 110 N -6.00 2.94 -0.89 0.00 1.04 -1.26 -5.06 113.70 104.47 2jf0 s SER 110 Ca -0.13 -0.64 -0.27 0.00 0.48 0.00 0.00 55.95 55.40 2jf0 s SER 110 Cb 0.19 -0.22 -0.20 0.00 0.10 0.00 0.00 66.02 65.88 2jf0 s SER 110 CO 0.81 0.18 2.38 -2.65 0.98 0.00 0.00 173.24 174.94 2jf0 n PRO 111 N 1.41 0.00 -3.66 4.02 -0.02 -1.25 -4.90 135.00 130.60 2jf0 n PRO 111 Ca -0.18 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 60.93 2jf0 n PRO 111 Cb 0.53 -1.31 -0.06 0.00 -0.02 0.00 0.00 33.50 32.64 2jf0 n PRO 111 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2jf0 s THR 112 N 7.67 5.23 0.34 3.45 -4.23 0.10 -4.60 115.64 123.59 2jf0 s THR 112 Ca 1.21 0.52 -0.26 0.00 -1.18 0.00 0.00 61.69 61.98 2jf0 s THR 112 Cb -1.10 -3.59 -0.13 0.00 1.34 0.00 0.00 72.50 69.02 2jf0 s THR 112 CO 0.44 0.55 0.85 -2.65 -0.54 0.00 0.00 174.62 173.26 2jf0 n PRO 113 N 1.73 1.03 -4.17 3.99 -0.02 -1.26 -0.88 135.00 135.41 2jf0 n PRO 113 Ca -0.15 0.36 -0.34 0.00 -2.02 0.00 0.00 63.50 61.35 2jf0 n PRO 113 Cb 0.53 -1.72 -0.11 0.00 -0.02 0.00 0.00 33.50 32.19 2jf0 n PRO 113 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2jf0 s VAL 114 N -1.20 4.44 -0.28 -1.45 1.01 0.67 -2.81 120.40 120.78 2jf0 s VAL 114 Ca 0.61 -0.16 -0.08 0.00 0.00 0.00 0.00 61.98 62.35 2jf0 s VAL 114 Cb -0.67 -2.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 2jf0 s VAL 114 CO 0.58 0.48 0.09 -0.76 0.00 0.00 0.00 175.10 175.50 2jf0 s LEU 115 N 0.28 3.70 -0.36 3.92 1.02 0.26 0.29 118.68 127.78 2jf0 s LEU 115 Ca 0.01 -0.41 -0.13 0.00 0.02 0.00 0.00 54.13 53.62 2jf0 s LEU 115 Cb -0.13 -1.93 0.00 0.00 0.02 0.00 0.00 46.19 44.15 2jf0 s LEU 115 CO 0.01 -0.11 0.24 -0.63 0.02 0.00 0.00 176.35 175.88 2jf0 s ILE 116 N 1.59 5.10 -0.04 -0.59 1.01 0.51 0.16 121.20 128.94 2jf0 s ILE 116 Ca 0.05 -0.46 -0.24 0.00 0.00 0.00 0.00 60.65 60.01 2jf0 s ILE 116 Cb -0.16 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 2jf0 s ILE 116 CO 0.04 -0.12 0.71 0.86 0.00 0.00 0.00 174.94 176.43 2jf0 s TRP 117 N 1.68 3.61 -0.31 3.97 -0.11 0.18 -0.31 118.94 127.65 2jf0 s TRP 117 Ca 0.05 1.29 -0.02 0.00 1.22 0.00 0.00 56.10 58.65 2jf0 s TRP 117 Cb -0.18 -2.80 0.05 0.00 -1.50 0.00 0.00 33.47 29.04 2jf0 s TRP 117 CO 0.09 0.13 0.01 0.42 -4.62 0.00 0.00 176.95 172.98 2jf0 s ILE 118 N 0.61 2.96 0.90 5.86 1.01 0.24 -3.60 121.20 129.19 2jf0 s ILE 118 Ca 0.38 -1.44 -0.11 0.00 0.00 0.00 0.00 60.65 59.48 2jf0 s ILE 118 Cb -0.18 -2.73 0.13 0.00 0.01 0.00 0.00 42.46 39.69 2jf0 s ILE 118 CO 0.19 -0.14 1.11 -0.72 0.00 0.00 0.00 174.94 175.38 2jf0 s TYR 119 N 1.24 1.98 0.00 3.97 -0.85 -1.26 -3.49 117.35 118.93 2jf0 s TYR 119 Ca -0.04 1.57 0.00 0.00 -0.52 0.00 0.00 57.07 58.07 2jf0 s TYR 119 Cb -0.20 -3.20 0.00 0.00 0.38 0.00 0.00 41.96 38.94 2jf0 s TYR 119 CO -0.01 -2.58 0.00 0.41 -1.52 0.00 0.00 175.55 171.85 2jf0 n GLY 120 N -0.35 2.17 0.00 5.49 0.00 -1.17 -2.50 105.19 108.83 2jf0 n GLY 120 Ca 0.09 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 44.02 2jf0 n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jf0 n GLY 121 N 5.00 0.84 2.43 -0.02 0.00 -1.26 -4.06 105.19 108.13 2jf0 n GLY 121 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 2jf0 n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jf0 n GLY 122 N 0.00 0.80 3.09 -0.02 0.00 -1.26 -0.74 105.19 107.06 2jf0 n GLY 122 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2jf0 n GLY 122 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jf0 n PHE 123 N -2.57 0.00 0.44 1.61 3.72 -1.26 -4.76 117.46 114.65 2jf0 n PHE 123 Ca -0.06 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.38 2jf0 n PHE 123 Cb 0.33 -0.79 -0.06 0.00 -0.94 0.00 0.00 39.48 38.02 2jf0 n PHE 123 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 2jf0 n TYR 124 N -2.20 0.00 -3.47 1.38 0.18 -0.25 0.21 117.16 113.01 2jf0 n TYR 124 Ca 0.00 0.00 -0.04 0.00 1.88 0.00 0.00 57.90 59.74 2jf0 n TYR 124 Cb 0.09 -0.01 0.00 0.00 -0.38 0.00 0.00 39.34 39.03 2jf0 n TYR 124 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 2jf0 n SER 125 N -1.28 -0.59 0.00 9.48 3.41 0.08 -3.84 113.62 120.88 2jf0 n SER 125 Ca 0.02 -1.55 0.00 0.00 -0.26 0.00 0.00 58.87 57.07 2jf0 n SER 125 Cb 0.16 1.03 0.00 0.00 -0.26 0.00 0.00 64.21 65.14 2jf0 n SER 125 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jf0 n GLY 126 N -0.18 2.04 3.61 5.00 0.00 -1.26 -4.12 105.19 110.29 2jf0 n GLY 126 Ca -0.01 -2.08 -0.09 0.00 0.00 0.00 0.00 46.02 43.83 2jf0 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jf0 s ALA 127 N -2.04 -1.97 -2.00 4.61 0.00 -1.26 -4.54 121.76 114.57 2jf0 s ALA 127 Ca 0.00 1.75 0.15 0.00 0.00 0.00 0.00 51.96 53.86 2jf0 s ALA 127 Cb 0.00 -1.16 0.90 0.00 0.00 0.00 0.00 23.12 22.86 2jf0 s ALA 127 CO 0.00 -0.26 1.56 0.00 0.00 0.00 0.00 175.76 177.06 2jf0 n ALA 128 N 1.59 2.57 0.54 0.00 0.00 -1.26 -3.51 120.51 120.44 2jf0 n ALA 128 Ca -0.11 -0.09 0.06 0.00 0.00 0.00 0.00 53.44 53.29 2jf0 n ALA 128 Cb 0.57 -1.24 -0.04 0.00 0.00 0.00 0.00 19.45 18.73 2jf0 n ALA 128 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2jf0 n SER 129 N -0.74 0.90 -4.67 0.00 3.41 -1.26 -4.85 113.62 106.42 2jf0 n SER 129 Ca 0.11 -0.95 -0.41 0.00 -0.26 0.00 0.00 58.87 57.36 2jf0 n SER 129 Cb 0.05 0.77 0.02 0.00 -0.26 0.00 0.00 64.21 64.78 2jf0 n SER 129 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jf0 n LEU 130 N -0.80 3.61 -0.00 1.04 4.77 -1.23 -4.88 117.00 119.50 2jf0 n LEU 130 Ca 0.03 1.06 0.03 0.00 -0.03 0.00 0.00 56.01 57.11 2jf0 n LEU 130 Cb 0.21 -1.45 0.41 0.00 -2.33 0.00 0.00 43.42 40.26 2jf0 n LEU 130 CO 0.20 -1.00 1.13 0.44 -1.33 0.00 0.00 177.39 176.83 2jf0 h ASP 131 N 1.77 0.47 0.42 -1.43 3.32 -1.94 0.53 116.42 119.56 2jf0 h ASP 131 Ca -0.47 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2jf0 h ASP 131 Cb 1.31 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2jf0 h ASP 131 CO 0.58 0.37 0.00 1.33 -1.72 0.00 0.00 179.24 179.80 2jf0 n VAL 132 N -4.45 0.90 -0.96 -1.35 0.24 -1.26 -1.55 118.33 109.89 2jf0 n VAL 132 Ca 0.03 0.45 0.06 0.00 -2.04 0.00 0.00 64.34 62.84 2jf0 n VAL 132 Cb 0.08 -1.42 0.34 0.00 -1.47 0.00 0.00 33.84 31.38 2jf0 n VAL 132 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2jf0 n TYR 133 N -2.29 1.70 -1.85 6.34 4.01 0.17 -4.39 117.16 120.85 2jf0 n TYR 133 Ca 0.00 -0.84 -0.42 0.00 -0.16 0.00 0.00 57.90 56.48 2jf0 n TYR 133 Cb 0.15 -0.46 -0.03 0.00 -0.31 0.00 0.00 39.34 38.69 2jf0 n TYR 133 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2jf0 s ASP 134 N -1.26 6.43 0.00 7.72 -1.08 -0.60 -4.86 116.67 123.02 2jf0 s ASP 134 Ca 0.50 2.30 0.24 0.00 -0.52 0.00 0.00 52.55 55.06 2jf0 s ASP 134 Cb 0.39 -2.53 0.97 0.00 -1.46 0.00 0.00 42.92 40.29 2jf0 s ASP 134 CO 0.13 -1.12 1.68 0.61 0.52 0.00 0.00 175.17 176.98 2jf0 n GLY 135 N 4.52 -0.04 0.26 2.66 0.00 -1.26 -4.32 105.19 107.00 2jf0 n GLY 135 Ca 0.20 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 2jf0 n GLY 135 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2jf0 h ARG 136 N 1.85 0.83 0.25 1.61 0.11 -1.89 -1.01 114.38 116.13 2jf0 h ARG 136 Ca 0.00 -0.42 -0.01 0.00 0.10 0.00 0.00 59.98 59.65 2jf0 h ARG 136 Cb 0.40 0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.49 2jf0 h ARG 136 CO 0.00 1.06 -0.12 0.74 0.10 0.00 0.00 179.97 181.75 2jf0 h PHE 137 N 0.69 -0.31 -0.82 4.08 0.04 -1.76 0.45 116.94 119.30 2jf0 h PHE 137 Ca 0.06 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.83 2jf0 h PHE 137 Cb 0.93 0.10 -0.04 0.00 2.20 0.00 0.00 35.95 39.15 2jf0 h PHE 137 CO 0.05 -0.04 0.53 -0.07 -0.60 0.00 0.00 178.31 178.18 2jf0 h LEU 138 N -0.56 0.96 -0.09 1.54 3.38 -1.65 0.41 115.31 119.31 2jf0 h LEU 138 Ca -0.03 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2jf0 h LEU 138 Cb 0.41 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 2jf0 h LEU 138 CO 0.06 0.71 0.05 0.00 0.09 0.00 0.00 178.44 179.34 2jf0 h ALA 139 N 1.46 0.12 0.09 1.53 0.00 -0.96 -2.42 119.26 119.08 2jf0 h ALA 139 Ca 0.30 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 2jf0 h ALA 139 Cb -0.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2jf0 h ALA 139 CO -0.06 -0.33 -0.04 0.37 0.00 0.00 0.00 179.25 179.18 2jf0 h GLN 140 N 0.04 -0.11 -0.10 0.00 -0.00 0.11 -1.80 115.11 113.25 2jf0 h GLN 140 Ca 0.03 0.01 -0.17 0.00 -0.00 0.00 0.00 58.65 58.52 2jf0 h GLN 140 Cb 0.10 0.03 -0.01 0.00 0.00 0.00 0.00 27.48 27.60 2jf0 h GLN 140 CO -0.00 0.42 -0.66 0.28 0.00 0.00 0.00 178.83 178.87 2jf0 h VAL 141 N -0.87 1.37 -0.01 2.39 2.07 -0.37 -3.34 116.25 117.49 2jf0 h VAL 141 Ca -0.01 -2.03 0.00 0.00 0.82 0.00 0.00 66.70 65.48 2jf0 h VAL 141 Cb 0.58 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 2jf0 h VAL 141 CO 0.02 0.61 -0.10 -0.62 0.02 0.00 0.00 177.57 177.50 2jf0 n GLU 142 N -3.87 1.33 -1.38 1.57 -0.58 -0.95 -4.98 120.64 111.79 2jf0 n GLU 142 Ca -0.04 -0.77 -0.13 0.00 -0.42 0.00 0.00 57.16 55.80 2jf0 n GLU 142 Cb 0.66 -1.10 -0.06 0.00 -0.57 0.00 0.00 31.44 30.38 2jf0 n GLU 142 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jf0 n GLY 143 N 0.69 1.37 3.75 0.62 0.00 -0.68 -4.96 105.19 105.99 2jf0 n GLY 143 Ca 0.04 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 2jf0 n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jf0 s ALA 144 N -2.43 3.42 -0.51 4.61 0.00 -0.97 -4.72 121.76 121.16 2jf0 s ALA 144 Ca 0.00 0.93 -0.24 0.00 0.00 0.00 0.00 51.96 52.65 2jf0 s ALA 144 Cb 0.00 -3.37 0.03 0.00 0.00 0.00 0.00 23.12 19.78 2jf0 s ALA 144 CO 0.00 -0.28 0.90 0.08 0.00 0.00 0.00 175.76 176.46 2jf0 s VAL 145 N -0.62 4.48 -0.28 0.00 1.01 -1.12 -3.87 120.40 120.00 2jf0 s VAL 145 Ca 0.49 0.41 -0.11 0.00 0.00 0.00 0.00 61.98 62.77 2jf0 s VAL 145 Cb -0.32 -4.46 -0.05 0.00 0.00 0.00 0.00 36.38 31.55 2jf0 s VAL 145 CO 0.39 -0.95 0.20 -0.22 0.00 0.00 0.00 175.10 174.52 2jf0 s LEU 146 N 3.73 4.02 -0.02 3.92 0.20 0.42 -0.57 118.68 130.38 2jf0 s LEU 146 Ca 0.32 0.01 0.01 0.00 0.69 0.00 0.00 54.13 55.16 2jf0 s LEU 146 Cb -0.12 -2.14 -0.03 0.00 -0.43 0.00 0.00 46.19 43.47 2jf0 s LEU 146 CO 0.22 -0.05 -0.02 -0.69 -0.29 0.00 0.00 176.35 175.51 2jf0 s VAL 147 N 1.75 4.01 -0.01 1.68 1.01 0.42 -0.30 120.40 128.96 2jf0 s VAL 147 Ca 0.07 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 61.43 2jf0 s VAL 147 Cb -0.16 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.47 2jf0 s VAL 147 CO 0.11 0.43 0.07 -0.94 0.00 0.00 0.00 175.10 174.76 2jf0 s SER 148 N -1.38 0.01 0.16 3.32 1.04 0.29 0.47 113.70 117.61 2jf0 s SER 148 Ca 0.18 -0.05 0.09 0.00 0.48 0.00 0.00 55.95 56.64 2jf0 s SER 148 Cb -0.11 0.15 -0.04 0.00 0.10 0.00 0.00 66.02 66.12 2jf0 s SER 148 CO 0.08 -0.15 -0.19 0.00 0.98 0.00 0.00 173.24 173.96 2jf0 s MET 149 N -0.54 1.29 0.21 4.02 0.23 -1.24 0.88 119.30 124.15 2jf0 s MET 149 Ca -0.06 -1.40 -0.21 0.00 -1.03 0.00 0.00 55.69 52.98 2jf0 s MET 149 Cb -0.04 -1.38 -0.08 0.00 -1.53 0.00 0.00 34.83 31.80 2jf0 s MET 149 CO 0.00 0.28 0.74 -0.80 -2.03 0.00 0.00 175.02 173.22 2jf0 s ASN 150 N -2.62 7.15 0.09 -1.18 0.01 0.17 -4.34 114.94 114.21 2jf0 s ASN 150 Ca 0.16 1.49 0.04 0.00 -0.71 0.00 0.00 52.86 53.84 2jf0 s ASN 150 Cb -0.06 -2.44 -0.03 0.00 0.41 0.00 0.00 41.25 39.12 2jf0 s ASN 150 CO 0.07 0.07 -0.12 -0.72 -1.51 0.00 0.00 177.10 174.90 2jf0 s TYR 151 N -1.43 1.13 0.19 2.20 1.13 -1.26 -4.32 117.35 114.99 2jf0 s TYR 151 Ca 0.41 -0.57 -0.30 0.00 -1.41 0.00 0.00 57.07 55.20 2jf0 s TYR 151 Cb -0.18 -0.62 -0.09 0.00 -1.10 0.00 0.00 41.96 39.97 2jf0 s TYR 151 CO 0.22 0.03 1.40 1.03 -2.51 0.00 0.00 175.55 175.73 2jf0 s ARG 152 N -2.36 4.31 0.41 -3.49 0.52 -1.26 -4.76 118.95 112.32 2jf0 s ARG 152 Ca 0.02 2.18 0.07 0.00 -0.52 0.00 0.00 55.73 57.48 2jf0 s ARG 152 Cb -0.06 -3.17 -0.05 0.00 0.52 0.00 0.00 34.95 32.19 2jf0 s ARG 152 CO 0.01 -0.39 0.18 0.14 0.02 0.00 0.00 175.30 175.27 2jf0 s VAL 153 N 0.40 2.30 0.00 3.52 -7.23 -1.26 -3.61 120.40 114.52 2jf0 s VAL 153 Ca 0.61 -1.69 0.00 0.00 -1.81 0.00 0.00 61.98 59.09 2jf0 s VAL 153 Cb -0.39 -2.99 0.00 0.00 0.56 0.00 0.00 36.38 33.56 2jf0 s VAL 153 CO 0.37 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.77 2jf0 n GLY 154 N -1.24 0.71 0.36 2.32 0.00 0.57 -2.60 105.19 105.30 2jf0 n GLY 154 Ca -0.01 -0.74 0.16 0.00 0.00 0.00 0.00 46.02 45.43 2jf0 n GLY 154 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2jf0 h THR 155 N 0.00 0.62 -0.40 2.61 1.35 -1.88 0.54 112.91 115.76 2jf0 h THR 155 Ca 0.00 -0.22 -0.07 0.00 -0.55 0.00 0.00 66.41 65.57 2jf0 h THR 155 Cb 0.00 -0.07 -0.02 0.00 -1.73 0.00 0.00 68.15 66.33 2jf0 h THR 155 CO 0.00 0.12 -0.06 -0.26 -0.25 0.00 0.00 175.52 175.07 2jf0 h PHE 156 N 0.64 0.71 0.00 4.73 0.04 -1.84 -0.13 116.94 121.09 2jf0 h PHE 156 Ca 0.60 -0.10 -0.23 0.00 2.80 0.00 0.00 57.97 61.03 2jf0 h PHE 156 Cb 1.10 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 39.02 2jf0 h PHE 156 CO -0.00 0.71 -1.52 0.78 -0.60 0.00 0.00 178.31 177.67 2jf0 h GLY 157 N 0.95 0.00 0.00 -1.45 0.00 -1.04 -3.35 103.07 98.18 2jf0 h GLY 157 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 2jf0 h GLY 157 CO 0.02 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.25 2jf0 n PHE 158 N -3.01 0.00 -1.78 5.60 3.72 0.09 -0.77 117.46 121.31 2jf0 n PHE 158 Ca -0.13 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.85 2jf0 n PHE 158 Cb 0.96 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.47 2jf0 n PHE 158 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 2jf0 s LEU 159 N -0.01 4.33 -0.04 4.37 0.20 -0.08 -4.41 118.68 123.04 2jf0 s LEU 159 Ca 0.00 2.47 0.05 0.00 0.69 0.00 0.00 54.13 57.34 2jf0 s LEU 159 Cb 0.00 -3.53 -0.01 0.00 -0.43 0.00 0.00 46.19 42.22 2jf0 s LEU 159 CO 0.00 -1.07 -0.19 0.00 -0.29 0.00 0.00 176.35 174.80 2jf0 s ALA 160 N 4.57 1.64 -0.68 5.97 0.00 -1.26 -4.05 121.76 127.95 2jf0 s ALA 160 Ca 0.84 -0.77 -0.01 0.00 0.00 0.00 0.00 51.96 52.03 2jf0 s ALA 160 Cb -0.39 -0.52 0.17 0.00 0.00 0.00 0.00 23.12 22.38 2jf0 s ALA 160 CO 0.37 0.31 0.50 -0.51 0.00 0.00 0.00 175.76 176.44 2jf0 s LEU 161 N -0.05 5.11 0.33 0.00 1.43 0.11 -3.60 118.68 122.00 2jf0 s LEU 161 Ca -0.02 -3.21 -0.28 0.00 -1.03 0.00 0.00 54.13 49.59 2jf0 s LEU 161 Cb -0.11 -1.81 -0.13 0.00 0.03 0.00 0.00 46.19 44.17 2jf0 s LEU 161 CO 0.02 -0.27 1.22 -2.65 0.23 0.00 0.00 176.35 174.90 2jf0 n PRO 162 N 2.97 1.91 0.00 1.29 -0.02 -1.26 -0.61 135.00 139.28 2jf0 n PRO 162 Ca 0.12 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2jf0 n PRO 162 Cb 0.36 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 2jf0 n PRO 162 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jf0 n GLY 163 N 0.92 3.09 3.77 -1.23 0.00 -1.26 -5.02 105.19 105.45 2jf0 n GLY 163 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 2jf0 n GLY 163 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jf0 s SER 164 N -0.70 5.30 0.33 1.61 1.04 0.22 -4.96 113.70 116.54 2jf0 s SER 164 Ca 0.00 2.16 0.18 0.00 0.48 0.00 0.00 55.95 58.77 2jf0 s SER 164 Cb 0.00 -2.57 0.25 0.00 0.10 0.00 0.00 66.02 63.79 2jf0 s SER 164 CO 0.00 -1.51 1.53 -0.09 0.98 0.00 0.00 173.24 174.15 2jf0 h ARG 165 N 0.61 0.00 -0.08 4.02 2.43 -1.95 -3.34 114.38 116.06 2jf0 h ARG 165 Ca -0.49 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 2jf0 h ARG 165 Cb 1.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 2jf0 h ARG 165 CO 0.55 0.37 0.00 -0.85 -1.51 0.00 0.00 179.97 178.53 2jf0 n GLU 166 N -3.23 0.99 -2.86 0.20 0.00 -1.26 -4.56 120.64 109.92 2jf0 n GLU 166 Ca 0.02 -1.25 -0.12 0.00 0.00 0.00 0.00 57.16 55.81 2jf0 n GLU 166 Cb 0.65 -1.15 0.03 0.00 0.00 0.00 0.00 31.44 30.97 2jf0 n GLU 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2jf0 n ALA 167 N 0.34 -0.30 1.70 -1.84 0.00 -1.26 -4.38 120.51 114.77 2jf0 n ALA 167 Ca 0.05 -1.94 0.13 0.00 0.00 0.00 0.00 53.44 51.69 2jf0 n ALA 167 Cb 0.25 -1.17 0.78 0.00 0.00 0.00 0.00 19.45 19.31 2jf0 n ALA 167 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2jf0 n PRO 168 N 1.17 0.85 -0.23 0.00 -0.04 -1.25 0.04 135.00 135.53 2jf0 n PRO 168 Ca 0.12 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.61 2jf0 n PRO 168 Cb 0.63 -1.48 -0.01 0.00 -0.04 0.00 0.00 33.50 32.60 2jf0 n PRO 168 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jf0 n GLY 169 N 0.69 -2.18 2.61 0.55 0.00 -1.26 -4.75 105.19 100.84 2jf0 n GLY 169 Ca 0.20 -1.43 -0.20 0.00 0.00 0.00 0.00 46.02 44.59 2jf0 n GLY 169 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jf0 n ASN 170 N -2.71 -5.49 -0.02 1.61 3.02 -1.25 -4.86 115.26 105.56 2jf0 n ASN 170 Ca -0.01 0.50 -0.10 0.00 -0.03 0.00 0.00 54.58 54.94 2jf0 n ASN 170 Cb 0.11 -4.77 0.04 0.00 -0.61 0.00 0.00 39.78 34.55 2jf0 n ASN 170 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 2jf0 h VAL 171 N 0.00 1.31 -0.97 2.41 -1.51 -1.64 0.20 116.25 116.04 2jf0 h VAL 171 Ca -0.41 -1.75 0.18 0.00 -1.23 0.00 0.00 66.70 63.49 2jf0 h VAL 171 Cb 1.34 1.70 -0.09 0.00 -2.13 0.00 0.00 31.29 32.11 2jf0 h VAL 171 CO 0.61 0.55 0.61 1.23 -1.23 0.00 0.00 177.57 179.34 2jf0 h GLY 172 N 0.98 1.48 1.62 5.19 0.00 -1.13 0.94 103.07 112.15 2jf0 h GLY 172 Ca 0.02 -0.32 -0.14 0.00 0.00 0.00 0.00 47.33 46.88 2jf0 h GLY 172 CO 0.10 -0.00 -0.52 1.41 0.00 0.00 0.00 176.54 177.54 2jf0 h LEU 173 N 0.70 0.44 -0.65 3.11 3.38 -1.25 -1.79 115.31 119.26 2jf0 h LEU 173 Ca 0.53 -0.23 -0.15 0.00 0.09 0.00 0.00 57.88 58.13 2jf0 h LEU 173 Cb 0.90 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 2jf0 h LEU 173 CO -0.30 0.88 -0.55 -0.07 0.09 0.00 0.00 178.44 178.49 2jf0 h LEU 174 N 0.32 0.40 -0.10 1.67 3.38 0.23 0.44 115.31 121.65 2jf0 h LEU 174 Ca 0.01 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.81 2jf0 h LEU 174 Cb 1.01 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.60 2jf0 h LEU 174 CO 0.09 0.87 -0.20 0.44 0.09 0.00 0.00 178.44 179.73 2jf0 h ASP 175 N 0.27 -0.60 0.07 -0.43 3.32 0.92 0.96 116.42 120.94 2jf0 h ASP 175 Ca 0.00 0.10 0.02 0.00 0.02 0.00 0.00 57.03 57.17 2jf0 h ASP 175 Cb 1.06 0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.85 2jf0 h ASP 175 CO 0.09 -0.25 -0.18 1.56 -1.72 0.00 0.00 179.24 178.74 2jf0 h GLN 176 N -0.26 -0.32 -0.84 3.56 4.20 -0.80 -0.58 115.11 120.07 2jf0 h GLN 176 Ca 0.09 0.02 0.10 0.00 0.06 0.00 0.00 58.65 58.92 2jf0 h GLN 176 Cb 0.39 0.07 -0.06 0.00 0.30 0.00 0.00 27.48 28.18 2jf0 h GLN 176 CO -0.25 -0.21 0.54 -0.09 -0.67 0.00 0.00 178.83 178.15 2jf0 h ARG 177 N -0.33 0.75 -0.40 1.46 2.43 0.60 0.85 114.38 119.73 2jf0 h ARG 177 Ca 0.03 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.05 2jf0 h ARG 177 Cb 0.37 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 2jf0 h ARG 177 CO -0.12 0.49 -0.17 1.25 -1.51 0.00 0.00 179.97 179.91 2jf0 h LEU 178 N 0.77 0.85 -0.75 3.80 5.85 0.15 0.75 115.31 126.72 2jf0 h LEU 178 Ca 0.39 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2jf0 h LEU 178 Cb 0.48 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 2jf0 h LEU 178 CO -0.16 1.05 0.47 0.00 -0.34 0.00 0.00 178.44 179.47 2jf0 h ALA 179 N 0.82 0.96 -0.46 1.25 0.00 0.32 0.35 119.26 122.49 2jf0 h ALA 179 Ca 0.09 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2jf0 h ALA 179 Cb 0.72 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2jf0 h ALA 179 CO 0.05 0.40 0.26 -0.07 0.00 0.00 0.00 179.25 179.90 2jf0 h LEU 180 N 1.02 0.40 -1.15 0.00 4.07 -0.57 0.21 115.31 119.30 2jf0 h LEU 180 Ca 0.27 0.01 -0.03 0.00 0.08 0.00 0.00 57.88 58.21 2jf0 h LEU 180 Cb -0.07 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 41.57 2jf0 h LEU 180 CO -0.05 0.28 0.21 1.56 -1.08 0.00 0.00 178.44 179.36 2jf0 h GLN 181 N 0.51 0.82 -0.53 1.13 4.20 -0.24 -0.56 115.11 120.44 2jf0 h GLN 181 Ca 0.19 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.73 2jf0 h GLN 181 Cb 0.05 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 2jf0 h GLN 181 CO -0.11 0.68 0.18 2.35 -0.67 0.00 0.00 178.83 181.26 2jf0 h TRP 182 N 0.80 0.85 -0.39 2.96 7.01 0.11 -0.21 115.95 127.09 2jf0 h TRP 182 Ca 0.19 -0.08 0.03 0.00 2.11 0.00 0.00 58.89 61.14 2jf0 h TRP 182 Cb 0.17 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 26.95 2jf0 h TRP 182 CO 0.01 0.72 0.20 0.28 -2.79 0.00 0.00 178.44 176.86 2jf0 h VAL 183 N 0.73 0.99 -0.58 2.65 2.07 -0.07 0.52 116.25 122.57 2jf0 h VAL 183 Ca 0.17 -0.14 0.07 0.00 0.82 0.00 0.00 66.70 67.62 2jf0 h VAL 183 Cb 0.26 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 30.52 2jf0 h VAL 183 CO -0.01 0.07 0.26 1.56 0.02 0.00 0.00 177.57 179.48 2jf0 h GLN 184 N 0.40 0.47 0.00 1.57 1.08 -0.41 0.16 115.11 118.38 2jf0 h GLN 184 Ca 0.16 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.31 2jf0 h GLN 184 Cb 0.06 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.38 2jf0 h GLN 184 CO -0.11 0.31 -0.12 0.93 -0.95 0.00 0.00 178.83 178.89 2jf0 h GLU 185 N 0.49 0.00 0.00 1.46 5.08 -0.67 -3.40 114.58 117.54 2jf0 h GLU 185 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2jf0 h GLU 185 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2jf0 h GLU 185 CO -0.23 0.12 -0.31 0.09 -1.00 0.00 0.00 179.01 177.68 2jf0 n ASN 186 N -3.13 1.56 0.18 1.42 3.02 0.14 -4.77 115.26 113.67 2jf0 n ASN 186 Ca 0.03 -0.03 0.02 0.00 -0.03 0.00 0.00 54.58 54.57 2jf0 n ASN 186 Cb 0.57 0.38 0.34 0.00 -0.61 0.00 0.00 39.78 40.46 2jf0 n ASN 186 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 2jf0 h ILE 187 N 0.00 1.28 -0.76 2.41 6.09 -0.83 -2.04 117.51 123.65 2jf0 h ILE 187 Ca 0.00 -1.31 0.14 0.00 -1.37 0.00 0.00 64.86 62.32 2jf0 h ILE 187 Cb 0.00 1.70 -0.10 0.00 0.47 0.00 0.00 36.82 38.89 2jf0 h ILE 187 CO 0.00 0.38 0.30 0.00 -3.07 0.00 0.00 178.15 175.75 2jf0 h ALA 188 N 1.61 1.06 -0.08 0.18 0.00 -1.73 0.20 119.26 120.50 2jf0 h ALA 188 Ca -0.00 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.05 2jf0 h ALA 188 Cb 0.68 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 2jf0 h ALA 188 CO 0.05 -0.22 0.22 0.00 0.00 0.00 0.00 179.25 179.31 2jf0 h ALA 189 N 1.55 1.45 -0.14 0.00 0.00 -1.65 0.46 119.26 120.93 2jf0 h ALA 189 Ca 0.42 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2jf0 h ALA 189 Cb 0.64 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2jf0 h ALA 189 CO -0.41 -0.27 0.00 1.19 0.00 0.00 0.00 179.25 179.76 2jf0 n PHE 190 N -3.25 0.15 -0.69 0.00 3.01 0.57 -4.86 117.46 112.39 2jf0 n PHE 190 Ca -0.01 -0.08 0.00 0.00 1.01 0.00 0.00 57.45 58.38 2jf0 n PHE 190 Cb 0.31 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.78 2jf0 n PHE 190 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jf0 n GLY 191 N 1.39 0.93 3.78 1.37 0.00 0.16 -4.46 105.19 108.36 2jf0 n GLY 191 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 2jf0 n GLY 191 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jf0 s GLY 192 N -1.74 2.36 -0.44 -0.02 0.00 -0.40 -0.72 107.32 106.35 2jf0 s GLY 192 Ca 0.00 0.64 -0.12 0.00 0.00 0.00 0.00 44.72 45.24 2jf0 s GLY 192 CO 0.00 0.99 0.32 -0.35 0.00 0.00 0.00 173.10 174.06 2jf0 s ASP 193 N -2.25 5.87 0.54 1.64 -1.08 -0.06 -2.73 116.67 118.60 2jf0 s ASP 193 Ca 0.69 -1.42 0.36 0.00 -0.52 0.00 0.00 52.55 51.66 2jf0 s ASP 193 Cb -0.21 -2.08 1.95 0.00 -1.46 0.00 0.00 42.92 41.12 2jf0 s ASP 193 CO 0.34 -0.59 2.11 1.55 0.52 0.00 0.00 175.17 179.10 2jf0 h PRO 194 N 8.57 0.00 -0.03 4.34 0.13 -1.87 -0.60 132.00 142.53 2jf0 h PRO 194 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2jf0 h PRO 194 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2jf0 h PRO 194 CO 0.81 0.00 0.00 -1.33 -0.23 0.00 0.00 178.00 177.25 2jf0 n MET 195 N -2.80 1.58 -3.48 0.86 2.81 -1.26 -4.29 117.12 110.55 2jf0 n MET 195 Ca -0.02 -0.85 -0.28 0.00 -1.81 0.00 0.00 57.70 54.74 2jf0 n MET 195 Cb 0.07 -1.47 -0.11 0.00 -0.71 0.00 0.00 33.22 31.00 2jf0 n MET 195 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2jf0 s SER 196 N -1.95 2.21 -0.22 7.83 0.15 -0.23 -4.90 113.70 116.58 2jf0 s SER 196 Ca 0.38 -2.97 -0.01 0.00 0.70 0.00 0.00 55.95 54.06 2jf0 s SER 196 Cb 0.21 -0.60 0.02 0.00 -1.71 0.00 0.00 66.02 63.94 2jf0 s SER 196 CO 0.33 -0.19 -0.11 -0.69 1.20 0.00 0.00 173.24 173.78 2jf0 s VAL 197 N 0.10 2.69 -0.26 4.45 1.01 -1.26 -0.24 120.40 126.89 2jf0 s VAL 197 Ca 0.28 -0.87 -0.08 0.00 0.00 0.00 0.00 61.98 61.32 2jf0 s VAL 197 Cb -0.04 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 2jf0 s VAL 197 CO -0.14 0.38 0.09 -0.89 0.00 0.00 0.00 175.10 174.54 2jf0 s THR 198 N 1.35 4.45 -0.02 3.92 2.01 0.15 0.05 115.64 127.55 2jf0 s THR 198 Ca 0.03 -0.16 -0.30 0.00 0.31 0.00 0.00 61.69 61.57 2jf0 s THR 198 Cb -0.15 -3.11 -0.03 0.00 0.01 0.00 0.00 72.50 69.23 2jf0 s THR 198 CO -0.07 0.30 1.00 -0.76 -0.69 0.00 0.00 174.62 174.40 2jf0 s LEU 199 N 1.63 4.34 0.06 4.42 1.43 -0.01 -0.36 118.68 130.20 2jf0 s LEU 199 Ca 0.06 1.65 0.03 0.00 -1.03 0.00 0.00 54.13 54.84 2jf0 s LEU 199 Cb -0.15 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 2jf0 s LEU 199 CO 0.05 -0.31 -0.09 0.72 0.23 0.00 0.00 176.35 176.95 2jf0 s PHE 200 N 1.24 0.83 0.03 0.29 -0.71 0.58 0.86 117.98 121.11 2jf0 s PHE 200 Ca 0.52 -0.58 -0.28 0.00 -1.04 0.00 0.00 56.93 55.55 2jf0 s PHE 200 Cb -0.21 -0.48 0.09 0.00 -1.21 0.00 0.00 43.02 41.21 2jf0 s PHE 200 CO 0.26 -0.06 0.88 0.20 -1.34 0.00 0.00 175.22 175.16 2jf0 s GLY 201 N -1.94 -0.44 -0.11 1.99 0.00 -0.54 -0.60 107.32 105.68 2jf0 s GLY 201 Ca -0.04 0.83 0.17 0.00 0.00 0.00 0.00 44.72 45.69 2jf0 s GLY 201 CO -0.00 0.27 1.19 -2.21 0.00 0.00 0.00 173.10 172.34 2jf0 n GLU 202 N -0.29 0.84 0.00 2.90 0.00 -1.23 -0.28 120.64 122.59 2jf0 n GLU 202 Ca -0.09 -2.63 0.00 0.00 0.00 0.00 0.00 57.16 54.44 2jf0 n GLU 202 Cb 0.62 -0.89 0.00 0.00 0.00 0.00 0.00 31.44 31.17 2jf0 n GLU 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2jf0 n ALA 204 N -0.41 0.00 -0.13 4.31 0.00 -1.26 -2.89 120.51 120.12 2jf0 n ALA 204 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.52 2jf0 n ALA 204 Cb 0.88 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.47 2jf0 n ALA 204 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2jf0 h GLY 205 N 0.00 0.92 0.68 0.00 0.00 -1.63 0.33 103.07 103.36 2jf0 h GLY 205 Ca 0.00 -0.61 -0.00 0.00 0.00 0.00 0.00 47.33 46.72 2jf0 h GLY 205 CO 0.00 0.56 -0.01 0.00 0.00 0.00 0.00 176.54 177.10 2jf0 h ALA 206 N 1.22 -0.01 -0.96 3.60 0.00 -1.59 0.23 119.26 121.74 2jf0 h ALA 206 Ca 0.16 -0.16 0.17 0.00 0.00 0.00 0.00 54.91 55.07 2jf0 h ALA 206 Cb 0.45 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.14 2jf0 h ALA 206 CO 0.02 -0.35 0.57 0.00 0.00 0.00 0.00 179.25 179.49 2jf0 h ALA 207 N 0.65 1.54 -0.11 0.00 0.00 -1.63 0.62 119.26 120.33 2jf0 h ALA 207 Ca -0.00 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2jf0 h ALA 207 Cb 0.33 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2jf0 h ALA 207 CO 0.00 -0.01 0.02 0.77 0.00 0.00 0.00 179.25 180.03 2jf0 h SER 208 N 0.77 0.16 -0.12 0.00 0.02 -0.08 0.35 113.55 114.65 2jf0 h SER 208 Ca 0.53 -0.24 0.04 0.00 -0.84 0.00 0.00 61.79 61.28 2jf0 h SER 208 Cb 0.76 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 63.21 2jf0 h SER 208 CO -0.36 0.37 -0.19 0.58 -1.14 0.00 0.00 176.83 176.09 2jf0 h VAL 209 N -0.04 0.51 -0.80 2.27 2.07 0.77 0.45 116.25 121.48 2jf0 h VAL 209 Ca 0.03 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.71 2jf0 h VAL 209 Cb 0.27 0.51 -0.15 0.00 -1.52 0.00 0.00 31.29 30.40 2jf0 h VAL 209 CO 0.00 0.00 -0.19 1.23 0.02 0.00 0.00 177.57 178.63 2jf0 h GLY 210 N -0.25 0.60 1.41 2.17 0.00 0.56 0.11 103.07 107.67 2jf0 h GLY 210 Ca 0.10 0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.64 2jf0 h GLY 210 CO -0.27 -0.31 0.11 -0.33 0.00 0.00 0.00 176.54 175.75 2jf0 h MET 211 N 0.00 0.74 -0.43 4.80 2.86 0.11 -0.50 114.93 122.52 2jf0 h MET 211 Ca 0.39 -0.14 -0.06 0.00 -2.06 0.00 0.00 59.70 57.82 2jf0 h MET 211 Cb 0.60 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 2jf0 h MET 211 CO -0.82 0.68 0.02 0.45 1.06 0.00 0.00 176.91 178.30 2jf0 h HIS 212 N 0.72 0.71 -0.54 -0.22 3.86 0.12 -0.29 115.15 119.50 2jf0 h HIS 212 Ca 0.16 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 2jf0 h HIS 212 Cb 0.27 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.52 2jf0 h HIS 212 CO 0.01 0.66 0.35 0.82 0.86 0.00 0.00 177.93 180.63 2jf0 h ILE 213 N 0.64 1.15 -0.27 2.45 2.04 0.43 -2.59 117.51 121.36 2jf0 h ILE 213 Ca 0.13 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.70 2jf0 h ILE 213 Cb 0.37 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 2jf0 h ILE 213 CO 0.01 0.15 0.00 0.18 0.00 0.00 0.00 178.15 178.49 2jf0 n LEU 214 N -4.44 2.61 -4.05 1.44 4.77 -0.38 -4.80 117.00 112.16 2jf0 n LEU 214 Ca 0.05 -1.10 -0.31 0.00 -0.03 0.00 0.00 56.01 54.62 2jf0 n LEU 214 Cb 0.06 -0.17 -0.16 0.00 -2.33 0.00 0.00 43.42 40.82 2jf0 n LEU 214 CO 0.36 0.55 -0.50 -0.55 -1.33 0.00 0.00 177.39 175.92 2jf0 s SER 215 N -1.56 2.92 0.11 -1.43 0.15 -0.26 -4.68 113.70 108.96 2jf0 s SER 215 Ca 0.35 -0.59 -0.27 0.00 0.70 0.00 0.00 55.95 56.14 2jf0 s SER 215 Cb 0.20 -1.28 -0.09 0.00 -1.71 0.00 0.00 66.02 63.15 2jf0 s SER 215 CO 0.29 -0.05 1.65 0.25 1.20 0.00 0.00 173.24 176.58 2jf0 h LEU 216 N 8.01 -0.66 -1.63 3.45 6.46 -1.83 -1.44 115.31 127.66 2jf0 h LEU 216 Ca -0.39 0.08 0.26 0.00 -0.12 0.00 0.00 57.88 57.71 2jf0 h LEU 216 Cb 1.13 0.25 -0.07 0.00 -0.73 0.00 0.00 40.66 41.24 2jf0 h LEU 216 CO 0.55 -0.33 0.68 -0.65 -0.62 0.00 0.00 178.44 178.08 2jf0 h PRO 217 N -0.44 0.24 -0.02 5.25 0.11 -1.94 0.14 132.00 135.35 2jf0 h PRO 217 Ca 0.02 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.96 2jf0 h PRO 217 Cb 0.46 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.50 2jf0 h PRO 217 CO -0.12 0.16 -0.72 0.77 -0.21 0.00 0.00 178.00 177.88 2jf0 h SER 218 N 0.25 0.13 -0.36 -2.05 0.02 -1.52 -3.32 113.55 106.72 2jf0 h SER 218 Ca 0.52 -0.09 0.09 0.00 -0.84 0.00 0.00 61.79 61.48 2jf0 h SER 218 Cb 1.59 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 64.08 2jf0 h SER 218 CO -0.16 0.81 0.25 0.03 -1.14 0.00 0.00 176.83 176.62 2jf0 h ARG 219 N 0.07 0.05 0.00 3.45 2.47 -0.29 0.34 114.38 120.48 2jf0 h ARG 219 Ca -0.02 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 2jf0 h ARG 219 Cb 1.27 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.58 2jf0 h ARG 219 CO 0.10 0.04 0.00 -1.13 0.56 0.00 0.00 179.97 179.54 2jf0 n SER 220 N -4.45 0.00 -0.65 7.04 3.41 -1.25 -3.73 113.62 114.00 2jf0 n SER 220 Ca 0.05 -0.95 0.07 0.00 -0.26 0.00 0.00 58.87 57.78 2jf0 n SER 220 Cb 0.40 -0.01 0.10 0.00 -0.26 0.00 0.00 64.21 64.43 2jf0 n SER 220 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jf0 n LEU 221 N -1.01 2.48 -3.69 1.04 4.77 0.12 -4.99 117.00 115.72 2jf0 n LEU 221 Ca 0.23 -1.26 -0.09 0.00 -0.03 0.00 0.00 56.01 54.86 2jf0 n LEU 221 Cb 0.11 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.10 2jf0 n LEU 221 CO 0.18 0.51 0.44 0.72 -1.33 0.00 0.00 177.39 177.90 2jf0 s PHE 222 N -1.16 -0.32 0.00 -1.77 -0.71 -1.24 -4.86 117.98 107.92 2jf0 s PHE 222 Ca 0.21 -0.04 0.00 0.00 -1.04 0.00 0.00 56.93 56.05 2jf0 s PHE 222 Cb 0.13 0.64 0.00 0.00 -1.21 0.00 0.00 43.02 42.58 2jf0 s PHE 222 CO 0.19 -1.08 0.00 0.72 -1.34 0.00 0.00 175.22 173.71 2jf0 n HIS 223 N -0.43 0.00 -4.09 3.49 8.25 0.11 -4.90 115.22 117.65 2jf0 n HIS 223 Ca -0.09 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.29 2jf0 n HIS 223 Cb 0.61 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.62 2jf0 n HIS 223 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2jf0 s ARG 224 N -1.70 0.61 0.02 -0.41 0.52 -1.04 -4.03 118.95 112.92 2jf0 s ARG 224 Ca 0.00 -1.16 0.01 0.00 -0.52 0.00 0.00 55.73 54.06 2jf0 s ARG 224 Cb 0.00 0.11 -0.02 0.00 0.52 0.00 0.00 34.95 35.56 2jf0 s ARG 224 CO 0.00 -0.08 -0.04 0.00 0.02 0.00 0.00 175.30 175.20 2jf0 s ALA 225 N -3.51 0.27 -0.10 2.13 0.00 -0.67 -0.83 121.76 119.05 2jf0 s ALA 225 Ca 0.05 -0.49 -0.01 0.00 0.00 0.00 0.00 51.96 51.51 2jf0 s ALA 225 Cb 0.05 0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.26 2jf0 s ALA 225 CO -0.08 -0.06 -0.02 0.08 0.00 0.00 0.00 175.76 175.69 2jf0 s VAL 226 N -1.00 0.59 -0.38 0.00 1.01 0.25 -1.09 120.40 119.78 2jf0 s VAL 226 Ca -0.09 -0.07 -0.02 0.00 0.00 0.00 0.00 61.98 61.80 2jf0 s VAL 226 Cb -0.07 -0.74 0.10 0.00 0.00 0.00 0.00 36.38 35.67 2jf0 s VAL 226 CO -0.00 0.25 0.15 -0.76 0.00 0.00 0.00 175.10 174.74 2jf0 s LEU 227 N 1.88 5.01 -0.28 3.92 1.02 0.42 -1.47 118.68 129.18 2jf0 s LEU 227 Ca 0.04 -1.96 -0.15 0.00 0.02 0.00 0.00 54.13 52.09 2jf0 s LEU 227 Cb -0.13 -1.78 -0.03 0.00 0.02 0.00 0.00 46.19 44.26 2jf0 s LEU 227 CO -0.06 -0.48 0.38 -1.10 0.02 0.00 0.00 176.35 175.10 2jf0 s GLN 228 N 1.12 3.97 -1.46 1.70 -0.21 0.62 -2.26 119.66 123.13 2jf0 s GLN 228 Ca 0.07 0.00 -0.04 0.00 0.02 0.00 0.00 55.36 55.42 2jf0 s GLN 228 Cb -0.22 -3.67 0.02 0.00 1.00 0.00 0.00 33.01 30.14 2jf0 s GLN 228 CO -0.04 -0.30 0.33 0.43 -2.12 0.00 0.00 175.29 173.58 2jf0 n SER 229 N 5.35 -5.20 -3.55 5.90 7.64 0.16 -3.91 113.62 120.00 2jf0 n SER 229 Ca -0.08 -0.15 -0.07 0.00 1.01 0.00 0.00 58.87 59.58 2jf0 n SER 229 Cb 0.51 -4.28 -0.02 0.00 -1.01 0.00 0.00 64.21 59.40 2jf0 n SER 229 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2jf0 s GLY 230 N -2.43 -0.37 -0.02 0.23 0.00 -1.26 -4.76 107.32 98.71 2jf0 s GLY 230 Ca 0.19 1.33 -0.20 0.00 0.00 0.00 0.00 44.72 46.04 2jf0 s GLY 230 CO 0.24 0.45 0.44 -0.51 0.00 0.00 0.00 173.10 173.72 2jf0 s THR 231 N -2.72 0.04 0.36 0.90 -4.23 -1.26 -4.02 115.64 104.71 2jf0 s THR 231 Ca 0.07 -0.32 0.12 0.00 -1.18 0.00 0.00 61.69 60.38 2jf0 s THR 231 Cb -0.01 -0.76 0.08 0.00 1.34 0.00 0.00 72.50 73.15 2jf0 s THR 231 CO -0.07 -0.17 1.81 1.55 -0.54 0.00 0.00 174.62 177.19 2jf0 h PRO 232 N 3.54 0.02 -7.61 3.99 0.13 -1.81 -3.38 132.00 126.87 2jf0 h PRO 232 Ca -0.29 -0.01 -0.45 0.00 -0.87 0.00 0.00 66.00 64.38 2jf0 h PRO 232 Cb 1.17 -0.00 0.14 0.00 0.13 0.00 0.00 31.00 32.43 2jf0 h PRO 232 CO 0.40 0.40 0.33 0.54 -0.23 0.00 0.00 178.00 179.44 2jf0 s ASN 233 N -6.93 3.48 0.00 1.44 4.22 -1.26 -4.40 114.94 111.50 2jf0 s ASN 233 Ca -0.03 0.07 0.00 0.00 -2.14 0.00 0.00 52.86 50.77 2jf0 s ASN 233 Cb 0.14 -0.21 0.00 0.00 1.28 0.00 0.00 41.25 42.46 2jf0 s ASN 233 CO 0.73 -2.48 0.00 0.61 -2.04 0.00 0.00 177.10 173.93 2jf0 n GLY 234 N -3.49 -0.22 0.17 0.45 0.00 -1.26 -4.59 105.19 96.26 2jf0 n GLY 234 Ca 0.15 -1.82 0.13 0.00 0.00 0.00 0.00 46.02 44.48 2jf0 n GLY 234 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jf0 h PRO 235 N 0.00 0.00 0.00 1.61 0.13 -1.86 -3.32 132.00 128.56 2jf0 h PRO 235 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2jf0 h PRO 235 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2jf0 h PRO 235 CO 0.00 0.00 -0.52 -2.67 -0.23 0.00 0.00 178.00 174.58 2jf0 n TRP 236 N -2.61 0.00 0.32 1.56 4.27 -1.26 -4.72 117.44 115.00 2jf0 n TRP 236 Ca 0.03 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.76 2jf0 n TRP 236 Cb 0.37 -0.02 0.21 0.00 -1.36 0.00 0.00 31.31 30.51 2jf0 n TRP 236 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2jf0 h ALA 237 N 0.26 0.93 -2.40 -1.67 0.00 -1.81 -3.43 119.26 111.15 2jf0 h ALA 237 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2jf0 h ALA 237 Cb 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 17.70 2jf0 h ALA 237 CO 0.00 0.00 -0.66 0.95 0.00 0.00 0.00 179.25 179.54 2jf0 s THR 238 N -3.20 0.19 0.18 0.00 -4.23 -1.26 -3.50 115.64 103.83 2jf0 s THR 238 Ca 0.07 -1.59 0.07 0.00 -1.18 0.00 0.00 61.69 59.06 2jf0 s THR 238 Cb 0.08 -1.26 -0.04 0.00 1.34 0.00 0.00 72.50 72.61 2jf0 s THR 238 CO 0.67 -0.88 -0.14 0.68 -0.54 0.00 0.00 174.62 174.41 2jf0 s VAL 239 N -3.43 1.60 1.00 2.29 -7.23 -0.75 -4.98 120.40 108.90 2jf0 s VAL 239 Ca 0.02 -2.09 -0.12 0.00 -1.81 0.00 0.00 61.98 57.99 2jf0 s VAL 239 Cb 0.04 -1.92 0.19 0.00 0.56 0.00 0.00 36.38 35.25 2jf0 s VAL 239 CO -0.08 -0.57 1.08 -0.94 -0.31 0.00 0.00 175.10 174.28 2jf0 s SER 240 N -3.10 2.50 0.09 4.85 1.04 -1.26 -0.29 113.70 117.53 2jf0 s SER 240 Ca 0.19 1.46 -0.30 0.00 0.48 0.00 0.00 55.95 57.78 2jf0 s SER 240 Cb -0.01 -2.14 -0.13 0.00 0.10 0.00 0.00 66.02 63.83 2jf0 s SER 240 CO 0.05 -3.25 1.63 0.00 0.98 0.00 0.00 173.24 172.65 2jf0 h ALA 241 N -1.97 -0.69 -0.83 5.32 0.00 -1.91 -1.45 119.26 117.72 2jf0 h ALA 241 Ca -0.54 -0.11 0.15 0.00 0.00 0.00 0.00 54.91 54.41 2jf0 h ALA 241 Cb 1.31 0.44 -0.10 0.00 0.00 0.00 0.00 17.79 19.44 2jf0 h ALA 241 CO 0.53 -0.92 0.41 0.78 0.00 0.00 0.00 179.25 180.05 2jf0 h GLY 242 N -0.68 1.34 1.44 0.00 0.00 -1.93 0.11 103.07 103.36 2jf0 h GLY 242 Ca -0.02 -0.23 -0.16 0.00 0.00 0.00 0.00 47.33 46.92 2jf0 h GLY 242 CO -0.04 -0.06 -0.53 -2.09 0.00 0.00 0.00 176.54 173.83 2jf0 h GLU 243 N 0.57 0.59 0.09 4.80 4.57 -1.90 -0.16 114.58 123.14 2jf0 h GLU 243 Ca 0.46 -0.36 -0.00 0.00 -1.18 0.00 0.00 59.36 58.28 2jf0 h GLU 243 Cb 0.67 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.30 2jf0 h GLU 243 CO -0.38 0.97 -0.04 0.00 -1.18 0.00 0.00 179.01 178.37 2jf0 h ALA 244 N 0.96 -0.12 -0.61 2.92 0.00 -0.08 -0.64 119.26 121.70 2jf0 h ALA 244 Ca 0.01 -0.09 0.13 0.00 0.00 0.00 0.00 54.91 54.96 2jf0 h ALA 244 Cb 1.07 0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.80 2jf0 h ALA 244 CO 0.10 -0.50 -0.04 -0.09 0.00 0.00 0.00 179.25 178.72 2jf0 h ARG 245 N -0.26 0.08 0.01 0.00 2.43 -0.80 0.38 114.38 116.23 2jf0 h ARG 245 Ca -0.01 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2jf0 h ARG 245 Cb 0.21 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.75 2jf0 h ARG 245 CO 0.02 0.05 -0.01 -0.09 -1.51 0.00 0.00 179.97 178.44 2jf0 h ARG 246 N 0.08 -0.02 -0.40 0.20 2.43 -0.75 0.16 114.38 116.09 2jf0 h ARG 246 Ca 0.31 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.37 2jf0 h ARG 246 Cb 0.50 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 2jf0 h ARG 246 CO -0.55 -0.01 -0.19 0.00 -1.51 0.00 0.00 179.97 177.71 2jf0 h ARG 247 N -0.02 0.77 -0.01 0.20 3.08 -0.46 0.25 114.38 118.19 2jf0 h ARG 247 Ca -0.00 -0.29 -0.00 0.00 0.07 0.00 0.00 59.98 59.75 2jf0 h ARG 247 Cb 0.02 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 2jf0 h ARG 247 CO 0.00 0.90 0.00 0.00 -1.07 0.00 0.00 179.97 179.80 2jf0 h ALA 248 N 1.11 0.01 0.00 0.04 0.00 -0.00 0.44 119.26 120.86 2jf0 h ALA 248 Ca 0.10 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2jf0 h ALA 248 Cb 0.69 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2jf0 h ALA 248 CO 0.05 -0.36 -0.24 1.79 0.00 0.00 0.00 179.25 180.49 2jf0 h THR 249 N -0.24 1.13 -0.14 0.00 1.35 -0.58 0.76 112.91 115.19 2jf0 h THR 249 Ca 0.00 -0.83 -0.09 0.00 -0.55 0.00 0.00 66.41 64.94 2jf0 h THR 249 Cb 0.26 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 2jf0 h THR 249 CO 0.00 0.23 -0.27 0.25 -0.25 0.00 0.00 175.52 175.49 2jf0 h LEU 250 N 0.00 0.48 -0.43 3.87 5.85 -0.18 -0.37 115.31 124.54 2jf0 h LEU 250 Ca -0.00 -0.55 0.03 0.00 0.84 0.00 0.00 57.88 58.20 2jf0 h LEU 250 Cb 0.43 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 2jf0 h LEU 250 CO 0.03 0.94 0.22 0.25 -0.34 0.00 0.00 178.44 179.54 2jf0 h LEU 251 N 0.05 0.33 -0.40 2.25 5.85 0.28 0.36 115.31 124.03 2jf0 h LEU 251 Ca 0.01 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.80 2jf0 h LEU 251 Cb 0.85 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.79 2jf0 h LEU 251 CO 0.06 0.24 0.10 0.00 -0.34 0.00 0.00 178.44 178.50 2jf0 h ALA 252 N 1.22 0.44 -0.39 1.25 0.00 -0.82 -1.31 119.26 119.65 2jf0 h ALA 252 Ca 0.18 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.23 2jf0 h ALA 252 Cb 0.07 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 2jf0 h ALA 252 CO -0.12 -0.30 -0.01 -0.09 0.00 0.00 0.00 179.25 178.73 2jf0 h ARG 253 N 0.24 0.08 0.00 0.00 2.43 -0.31 0.43 114.38 117.25 2jf0 h ARG 253 Ca 0.19 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 2jf0 h ARG 253 Cb 0.21 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2jf0 h ARG 253 CO -0.23 0.06 0.00 -0.07 -1.51 0.00 0.00 179.97 178.22 2jf0 h LEU 254 N 0.09 0.00 -1.67 3.80 3.38 0.11 -1.87 115.31 119.15 2jf0 h LEU 254 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2jf0 h LEU 254 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2jf0 h LEU 254 CO -0.33 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.53 2jf0 n VAL 255 N -3.07 0.10 -0.53 1.22 0.24 -0.64 -4.99 118.33 110.66 2jf0 n VAL 255 Ca -0.02 -0.55 0.00 0.00 -2.04 0.00 0.00 64.34 61.73 2jf0 n VAL 255 Cb 0.15 1.21 0.00 0.00 -1.47 0.00 0.00 33.84 33.73 2jf0 n VAL 255 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jf0 n GLY 256 N 0.79 1.46 0.23 7.63 0.00 -0.38 -5.07 105.19 109.86 2jf0 n GLY 256 Ca 0.09 -0.21 -0.02 0.00 0.00 0.00 0.00 46.02 45.88 2jf0 n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jf0 n ASN 265 N -1.02 0.00 0.14 0.00 2.85 -1.26 -4.80 115.26 111.17 2jf0 n ASN 265 Ca -0.01 0.46 -0.14 0.00 -0.11 0.00 0.00 54.58 54.78 2jf0 n ASN 265 Cb 0.04 -0.69 -0.08 0.00 1.24 0.00 0.00 39.78 40.29 2jf0 n ASN 265 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 2jf0 h ASP 266 N 1.84 -1.30 -0.99 1.20 3.32 -1.99 -2.04 116.42 116.47 2jf0 h ASP 266 Ca 0.00 0.13 0.18 0.00 0.02 0.00 0.00 57.03 57.36 2jf0 h ASP 266 Cb 0.00 0.46 -0.18 0.00 0.22 0.00 0.00 39.33 39.84 2jf0 h ASP 266 CO 0.00 -0.50 -0.29 0.74 -1.72 0.00 0.00 179.24 177.47 2jf0 h THR 267 N -0.70 0.01 -0.36 0.35 2.02 -2.00 0.24 112.91 112.47 2jf0 h THR 267 Ca -0.02 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.03 2jf0 h THR 267 Cb 0.67 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 2jf0 h THR 267 CO -0.19 0.00 -0.28 -0.33 0.37 0.00 0.00 175.52 175.09 2jf0 h GLU 268 N -0.00 0.82 0.16 6.66 5.08 -1.89 0.15 114.58 125.55 2jf0 h GLU 268 Ca 0.43 -0.40 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2jf0 h GLU 268 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2jf0 h GLU 268 CO -1.01 1.04 -0.07 1.25 -1.00 0.00 0.00 179.01 179.22 2jf0 h LEU 269 N 0.61 -0.18 -0.04 1.33 6.46 -0.37 0.15 115.31 123.27 2jf0 h LEU 269 Ca 0.07 -0.08 -0.00 0.00 -0.12 0.00 0.00 57.88 57.75 2jf0 h LEU 269 Cb 0.85 0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.83 2jf0 h LEU 269 CO 0.07 -0.04 0.02 0.40 -0.62 0.00 0.00 178.44 178.28 2jf0 h ILE 270 N -0.31 1.06 -0.68 4.05 2.04 -0.59 0.25 117.51 123.34 2jf0 h ILE 270 Ca -0.02 -0.17 0.13 0.00 1.00 0.00 0.00 64.86 65.80 2jf0 h ILE 270 Cb 0.24 1.10 -0.09 0.00 -0.74 0.00 0.00 36.82 37.33 2jf0 h ILE 270 CO 0.04 0.05 0.19 0.00 0.00 0.00 0.00 178.15 178.42 2jf0 h ALA 271 N 0.95 0.86 -0.45 1.87 0.00 -0.58 0.41 119.26 122.32 2jf0 h ALA 271 Ca 0.01 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2jf0 h ALA 271 Cb 0.06 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2jf0 h ALA 271 CO -0.00 -0.29 0.25 0.00 0.00 0.00 0.00 179.25 179.21 2jf0 h LEU 273 N 0.59 1.07 -2.32 0.00 3.38 0.12 -0.75 115.31 117.40 2jf0 h LEU 273 Ca 0.16 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.10 2jf0 h LEU 273 Cb 0.05 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 2jf0 h LEU 273 CO -0.03 0.82 0.18 0.03 0.09 0.00 0.00 178.44 179.53 2jf0 h ARG 274 N 1.23 0.00 -0.00 1.13 3.08 -0.05 -0.73 114.38 119.04 2jf0 h ARG 274 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 2jf0 h ARG 274 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.00 2jf0 h ARG 274 CO -0.06 0.00 -0.08 0.25 -1.07 0.00 0.00 179.97 179.01 2jf0 n THR 275 N -3.60 0.00 -3.42 2.04 -2.24 -0.29 -4.85 114.28 101.92 2jf0 n THR 275 Ca 0.00 -0.06 -0.37 0.00 -2.27 0.00 0.00 64.05 61.35 2jf0 n THR 275 Cb 0.28 -0.13 -0.07 0.00 -2.10 0.00 0.00 70.33 68.31 2jf0 n THR 275 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2jf0 s ARG 276 N -2.38 4.27 0.34 -0.78 1.81 -0.28 -5.03 118.95 116.90 2jf0 s ARG 276 Ca 0.32 0.25 -0.23 0.00 -1.72 0.00 0.00 55.73 54.35 2jf0 s ARG 276 Cb 0.20 -3.46 -0.16 0.00 -0.45 0.00 0.00 34.95 31.09 2jf0 s ARG 276 CO 0.45 0.14 0.23 -2.30 -0.68 0.00 0.00 175.30 173.14 2jf0 n PRO 277 N 3.83 0.02 -0.37 3.54 -0.02 -1.26 -4.84 135.00 135.90 2jf0 n PRO 277 Ca -0.09 0.01 0.01 0.00 -2.02 0.00 0.00 63.50 61.41 2jf0 n PRO 277 Cb 0.52 -1.01 0.16 0.00 -0.02 0.00 0.00 33.50 33.14 2jf0 n PRO 277 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jf0 h ALA 278 N 0.54 1.37 0.00 3.55 0.00 -1.96 -2.10 119.26 120.66 2jf0 h ALA 278 Ca -0.34 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 2jf0 h ALA 278 Cb 1.44 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 2jf0 h ALA 278 CO 0.50 0.51 -0.08 0.37 0.00 0.00 0.00 179.25 180.54 2jf0 h GLN 279 N 1.23 0.00 -0.40 0.00 5.75 -1.98 -2.68 115.11 117.03 2jf0 h GLN 279 Ca 0.41 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.77 2jf0 h GLN 279 Cb 0.07 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 2jf0 h GLN 279 CO -0.14 0.08 -0.32 -0.44 -2.65 0.00 0.00 178.83 175.36 2jf0 h ASP 280 N 0.00 0.93 -0.20 -0.69 3.32 -1.71 0.70 116.42 118.76 2jf0 h ASP 280 Ca -0.00 -0.39 -0.03 0.00 0.02 0.00 0.00 57.03 56.63 2jf0 h ASP 280 Cb 0.54 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 2jf0 h ASP 280 CO 0.01 1.16 0.03 -0.07 -1.72 0.00 0.00 179.24 178.65 2jf0 h LEU 281 N 0.74 0.33 -1.27 1.55 4.07 -1.54 -2.95 115.31 116.25 2jf0 h LEU 281 Ca 0.08 -0.27 -0.06 0.00 0.08 0.00 0.00 57.88 57.70 2jf0 h LEU 281 Cb 0.89 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.53 2jf0 h LEU 281 CO 0.08 0.52 -0.17 0.58 -1.08 0.00 0.00 178.44 178.37 2jf0 h VAL 282 N 0.13 1.21 -0.65 1.22 2.07 -1.35 0.86 116.25 119.74 2jf0 h VAL 282 Ca 0.06 -0.94 0.04 0.00 0.82 0.00 0.00 66.70 66.68 2jf0 h VAL 282 Cb 0.33 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 2jf0 h VAL 282 CO 0.01 0.29 0.43 0.44 0.02 0.00 0.00 177.57 178.76 2jf0 h ASP 283 N 0.27 0.64 -0.14 0.57 3.32 0.56 -3.03 116.42 118.62 2jf0 h ASP 283 Ca 0.05 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2jf0 h ASP 283 Cb 0.46 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2jf0 h ASP 283 CO 0.03 0.44 0.00 1.41 -1.72 0.00 0.00 179.24 179.40 2jf0 n HIS 284 N -4.47 0.17 -0.05 4.55 8.25 -0.96 -4.61 115.22 118.10 2jf0 n HIS 284 Ca 0.08 -0.19 -0.08 0.00 -0.26 0.00 0.00 57.72 57.28 2jf0 n HIS 284 Cb 0.15 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.24 2jf0 n HIS 284 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2jf0 h GLU 285 N 2.11 -0.12 -0.57 -0.41 4.81 -0.71 -2.70 114.58 117.00 2jf0 h GLU 285 Ca 0.00 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2jf0 h GLU 285 Cb 0.56 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 2jf0 h GLU 285 CO 0.00 -0.08 0.22 2.35 -0.73 0.00 0.00 179.01 180.77 2jf0 h TRP 286 N -0.13 0.83 0.00 0.92 -0.00 -1.82 -3.17 115.95 112.59 2jf0 h TRP 286 Ca 0.13 -0.05 0.00 0.00 -0.00 0.00 0.00 58.89 58.98 2jf0 h TRP 286 Cb 0.33 -0.26 0.00 0.00 -0.00 0.00 0.00 29.16 29.23 2jf0 h TRP 286 CO -0.32 0.65 0.00 0.72 -0.00 0.00 0.00 178.44 179.49 2jf0 n HIS 287 N -4.32 0.00 0.38 2.65 -0.00 -1.02 -3.13 115.22 109.77 2jf0 n HIS 287 Ca 0.05 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.87 2jf0 n HIS 287 Cb 0.17 0.00 0.16 0.00 -0.00 0.00 0.00 29.99 30.32 2jf0 n HIS 287 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.34 177.67 2jf0 n VAL 288 N -0.86 0.40 -2.49 1.59 0.24 -1.20 -4.96 118.33 111.05 2jf0 n VAL 288 Ca 0.11 -0.70 -0.42 0.00 -2.04 0.00 0.00 64.34 61.28 2jf0 n VAL 288 Cb 0.05 1.05 -0.03 0.00 -1.47 0.00 0.00 33.84 33.44 2jf0 n VAL 288 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2jf0 s LEU 289 N -1.42 4.37 0.59 1.34 1.43 -1.18 -4.82 118.68 118.99 2jf0 s LEU 289 Ca 0.31 1.93 0.29 0.00 -1.03 0.00 0.00 54.13 55.63 2jf0 s LEU 289 Cb 0.19 -3.58 1.72 0.00 0.03 0.00 0.00 46.19 44.56 2jf0 s LEU 289 CO 0.27 -0.41 2.17 1.55 0.23 0.00 0.00 176.35 180.15 2jf0 h PRO 290 N 6.77 0.00 -4.64 1.29 0.13 -1.95 -3.43 132.00 130.17 2jf0 h PRO 290 Ca -0.41 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.46 2jf0 h PRO 290 Cb 1.22 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.20 2jf0 h PRO 290 CO 0.79 0.00 -0.63 -0.65 -0.23 0.00 0.00 178.00 177.28 2jf0 s GLN 291 N -4.64 1.15 -0.66 0.86 1.11 -1.26 -5.08 119.66 111.14 2jf0 s GLN 291 Ca -0.05 -1.59 -0.27 0.00 0.01 0.00 0.00 55.36 53.47 2jf0 s GLN 291 Cb 0.15 0.06 -0.00 0.00 -1.01 0.00 0.00 33.01 32.21 2jf0 s GLN 291 CO 0.55 -0.29 1.62 -2.00 0.01 0.00 0.00 175.29 175.18 2jf0 s GLU 292 N -4.06 2.86 0.40 2.91 2.12 -1.26 -4.95 118.70 116.71 2jf0 s GLU 292 Ca 0.32 0.26 0.08 0.00 0.36 0.00 0.00 54.97 55.99 2jf0 s GLU 292 Cb 0.07 -4.30 -0.07 0.00 0.26 0.00 0.00 34.13 30.09 2jf0 s GLU 292 CO 0.08 -2.49 0.04 -1.54 -0.54 0.00 0.00 175.26 170.80 2jf0 s SER 293 N 6.31 4.01 0.14 -1.70 1.04 -1.26 -4.34 113.70 117.90 2jf0 s SER 293 Ca 0.54 -1.25 0.08 0.00 0.48 0.00 0.00 55.95 55.79 2jf0 s SER 293 Cb -0.11 -0.42 -0.04 0.00 0.10 0.00 0.00 66.02 65.55 2jf0 s SER 293 CO 0.18 -0.43 -0.18 0.27 0.98 0.00 0.00 173.24 174.07 2jf0 s ILE 294 N -2.66 1.66 -1.57 -1.02 -4.36 -0.98 -4.80 121.20 107.47 2jf0 s ILE 294 Ca 0.36 -1.77 -0.05 0.00 -0.26 0.00 0.00 60.65 58.94 2jf0 s ILE 294 Cb 0.07 -1.68 0.01 0.00 1.25 0.00 0.00 42.46 42.11 2jf0 s ILE 294 CO 0.19 -0.28 0.60 0.33 0.24 0.00 0.00 174.94 176.02 2jf0 n PHE 295 N 0.56 -1.95 -4.38 1.37 -0.00 -1.26 -4.75 117.46 107.05 2jf0 n PHE 295 Ca -0.15 0.51 -0.19 0.00 -0.00 0.00 0.00 57.45 57.62 2jf0 n PHE 295 Cb 0.56 -4.48 -0.14 0.00 -0.00 0.00 0.00 39.48 35.42 2jf0 n PHE 295 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.76 177.26 2jf0 s ARG 296 N -5.70 0.81 0.03 -4.13 6.06 -1.26 -4.66 118.95 110.09 2jf0 s ARG 296 Ca 0.30 -0.45 0.05 0.00 -2.50 0.00 0.00 55.73 53.13 2jf0 s ARG 296 Cb -0.13 -0.77 -0.02 0.00 0.06 0.00 0.00 34.95 34.08 2jf0 s ARG 296 CO 0.37 0.21 -0.15 -0.06 -2.50 0.00 0.00 175.30 173.17 2jf0 s PHE 297 N -0.41 1.32 0.14 5.12 0.08 -1.26 -5.02 117.98 117.95 2jf0 s PHE 297 Ca 0.03 -0.32 -0.11 0.00 0.12 0.00 0.00 56.93 56.64 2jf0 s PHE 297 Cb -0.05 -0.80 -0.04 0.00 -0.57 0.00 0.00 43.02 41.55 2jf0 s PHE 297 CO -0.00 0.03 1.47 0.77 -0.10 0.00 0.00 175.22 177.39 2jf0 h SER 298 N 5.16 1.00 -3.30 1.36 0.02 -1.88 -3.41 113.55 112.50 2jf0 h SER 298 Ca -0.38 -0.47 -0.58 0.00 -0.84 0.00 0.00 61.79 59.53 2jf0 h SER 298 Cb 1.17 -0.28 -0.40 0.00 0.14 0.00 0.00 62.40 63.03 2jf0 h SER 298 CO 0.45 1.27 -0.76 -0.36 -1.14 0.00 0.00 176.83 176.29 2jf0 s PHE 299 N -4.36 1.81 0.27 3.45 0.08 -1.26 -4.98 117.98 113.00 2jf0 s PHE 299 Ca -0.11 -1.63 0.02 0.00 0.12 0.00 0.00 56.93 55.33 2jf0 s PHE 299 Cb 0.11 -1.62 -0.05 0.00 -0.57 0.00 0.00 43.02 40.89 2jf0 s PHE 299 CO 0.88 -0.81 0.07 0.14 -0.10 0.00 0.00 175.22 175.41 2jf0 s VAL 300 N 1.58 0.78 0.34 -0.44 -7.23 -1.26 -4.32 120.40 109.85 2jf0 s VAL 300 Ca 0.05 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 57.94 2jf0 s VAL 300 Cb -0.18 -2.63 -0.13 0.00 0.56 0.00 0.00 36.38 34.01 2jf0 s VAL 300 CO -0.17 -0.05 1.14 -2.65 -0.31 0.00 0.00 175.10 173.05 2jf0 n PRO 301 N -0.51 1.70 -4.36 4.82 -0.02 -1.23 -4.66 135.00 130.75 2jf0 n PRO 301 Ca -0.01 0.60 -0.35 0.00 -2.02 0.00 0.00 63.50 61.72 2jf0 n PRO 301 Cb 0.66 -2.10 -0.10 0.00 -0.02 0.00 0.00 33.50 31.94 2jf0 n PRO 301 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2jf0 s VAL 302 N -1.12 4.25 -0.48 -1.45 0.11 -1.26 -1.80 120.40 118.65 2jf0 s VAL 302 Ca 0.58 -0.26 -0.27 0.00 -2.93 0.00 0.00 61.98 59.10 2jf0 s VAL 302 Cb -0.61 -2.81 -0.03 0.00 -1.53 0.00 0.00 36.38 31.40 2jf0 s VAL 302 CO 0.60 0.57 1.93 -0.69 -3.33 0.00 0.00 175.10 174.19 2jf0 s VAL 303 N -0.53 3.33 -1.40 2.04 1.01 0.60 -4.62 120.40 120.84 2jf0 s VAL 303 Ca 0.09 0.27 0.14 0.00 0.00 0.00 0.00 61.98 62.48 2jf0 s VAL 303 Cb -0.12 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.62 2jf0 s VAL 303 CO 0.02 -0.57 0.82 -0.90 0.00 0.00 0.00 175.10 174.47 2jf0 n ASP 304 N 12.32 1.65 0.00 3.32 5.75 -1.21 -3.01 116.55 135.37 2jf0 n ASP 304 Ca 0.24 -1.33 0.00 0.00 -0.01 0.00 0.00 54.79 53.69 2jf0 n ASP 304 Cb 0.50 0.35 0.00 0.00 -1.03 0.00 0.00 41.12 40.94 2jf0 n ASP 304 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jf0 n GLY 305 N 0.99 0.14 0.00 6.12 0.00 0.28 -4.82 105.19 107.90 2jf0 n GLY 305 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2jf0 n GLY 305 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jf0 n ASP 306 N -0.64 0.00 -0.16 1.61 2.03 -1.26 -4.48 116.55 113.65 2jf0 n ASP 306 Ca 0.00 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.26 2jf0 n ASP 306 Cb 0.32 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.76 2jf0 n ASP 306 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2jf0 h PHE 307 N 0.00 0.47 -3.52 -0.67 3.04 -1.91 -3.29 116.94 111.06 2jf0 h PHE 307 Ca 0.00 0.02 -0.70 0.00 3.98 0.00 0.00 57.97 61.27 2jf0 h PHE 307 Cb 0.00 -0.14 -0.32 0.00 2.56 0.00 0.00 35.95 38.05 2jf0 h PHE 307 CO 0.00 0.24 -0.54 -0.51 -2.02 0.00 0.00 178.31 175.48 2jf0 s LEU 308 N -10.25 4.97 0.46 0.59 1.43 -1.26 -4.46 118.68 110.16 2jf0 s LEU 308 Ca -0.13 -1.69 0.19 0.00 -1.03 0.00 0.00 54.13 51.47 2jf0 s LEU 308 Cb 0.13 -1.87 1.12 0.00 0.03 0.00 0.00 46.19 45.60 2jf0 s LEU 308 CO 0.73 -0.49 1.99 0.77 0.23 0.00 0.00 176.35 179.58 2jf0 h SER 309 N 8.19 0.00 -3.42 2.29 4.64 -1.78 0.84 113.55 124.29 2jf0 h SER 309 Ca -0.18 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.90 2jf0 h SER 309 Cb 1.06 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.09 2jf0 h SER 309 CO 0.69 0.19 -0.22 -0.67 -0.87 0.00 0.00 176.83 175.96 2jf0 n ASP 310 N -4.03 -0.47 -4.74 4.97 -0.08 -1.26 -4.27 116.55 106.67 2jf0 n ASP 310 Ca -0.02 -2.17 -0.37 0.00 -1.51 0.00 0.00 54.79 50.72 2jf0 n ASP 310 Cb 0.27 1.03 0.06 0.00 2.34 0.00 0.00 41.12 44.82 2jf0 n ASP 310 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 2jf0 s THR 311 N -2.72 2.22 0.31 5.18 -4.23 -1.26 -4.78 115.64 110.36 2jf0 s THR 311 Ca 0.21 0.14 0.05 0.00 -1.18 0.00 0.00 61.69 60.91 2jf0 s THR 311 Cb 0.01 -3.04 0.30 0.00 1.34 0.00 0.00 72.50 71.11 2jf0 s THR 311 CO 0.15 -0.03 1.82 -0.65 -0.54 0.00 0.00 174.62 175.36 2jf0 h PRO 312 N 0.61 0.79 -0.35 3.99 0.11 -1.97 0.11 132.00 135.29 2jf0 h PRO 312 Ca -0.51 -0.05 0.07 0.00 0.11 0.00 0.00 66.00 65.62 2jf0 h PRO 312 Cb 1.32 -0.18 -0.09 0.00 0.11 0.00 0.00 31.00 32.17 2jf0 h PRO 312 CO 0.54 0.53 -0.40 1.49 -0.21 0.00 0.00 178.00 179.94 2jf0 h GLU 313 N 0.82 -0.32 -0.46 1.05 4.57 -1.91 0.41 114.58 118.74 2jf0 h GLU 313 Ca 0.53 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.70 2jf0 h GLU 313 Cb 0.74 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.39 2jf0 h GLU 313 CO -0.30 -0.22 0.19 0.00 -1.18 0.00 0.00 179.01 177.50 2jf0 h ALA 314 N 0.46 0.60 -0.31 2.92 0.00 -1.53 -1.47 119.26 119.93 2jf0 h ALA 314 Ca 0.14 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 2jf0 h ALA 314 Cb 0.58 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2jf0 h ALA 314 CO -0.53 0.19 -0.30 -0.07 0.00 0.00 0.00 179.25 178.54 2jf0 h LEU 315 N 0.60 0.66 -0.42 0.00 3.38 -0.26 -1.93 115.31 117.33 2jf0 h LEU 315 Ca 0.15 -0.26 -0.17 0.00 0.09 0.00 0.00 57.88 57.70 2jf0 h LEU 315 Cb 0.18 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2jf0 h LEU 315 CO -0.01 0.92 -0.79 0.16 0.09 0.00 0.00 178.44 178.81 2jf0 h ILE 316 N 0.55 1.55 -0.38 1.22 3.07 -0.07 0.19 117.51 123.63 2jf0 h ILE 316 Ca 0.07 -2.65 -0.09 0.00 1.55 0.00 0.00 64.86 63.73 2jf0 h ILE 316 Cb 0.79 2.44 -0.02 0.00 -0.27 0.00 0.00 36.82 39.76 2jf0 h ILE 316 CO 0.06 0.76 -0.13 0.78 -1.05 0.00 0.00 178.15 178.57 2jf0 h ASN 317 N 0.02 0.67 -0.01 2.16 2.35 -1.02 -3.33 115.58 116.43 2jf0 h ASN 317 Ca -0.01 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 2jf0 h ASN 317 Cb 1.39 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.58 2jf0 h ASN 317 CO 0.11 0.83 -0.10 0.35 -1.65 0.00 0.00 177.43 176.96 2jf0 n THR 318 N -4.16 0.00 -1.17 2.81 -2.24 -0.75 -4.99 114.28 103.78 2jf0 n THR 318 Ca 0.01 -0.45 -0.31 0.00 -2.27 0.00 0.00 64.05 61.03 2jf0 n THR 318 Cb 0.36 1.10 0.10 0.00 -2.10 0.00 0.00 70.33 69.79 2jf0 n THR 318 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2jf0 s GLY 319 N -0.94 1.69 -0.25 3.38 0.00 0.66 -5.02 107.32 106.84 2jf0 s GLY 319 Ca 0.06 0.34 -0.02 0.00 0.00 0.00 0.00 44.72 45.09 2jf0 s GLY 319 CO 0.15 0.69 -0.04 -0.35 0.00 0.00 0.00 173.10 173.55 2jf0 s ASP 320 N -3.24 4.40 -0.15 1.64 2.15 -1.26 -4.81 116.67 115.40 2jf0 s ASP 320 Ca 0.62 -0.81 0.16 0.00 0.43 0.00 0.00 52.55 52.96 2jf0 s ASP 320 Cb -0.18 -1.70 0.32 0.00 -0.30 0.00 0.00 42.92 41.07 2jf0 s ASP 320 CO 0.56 -0.12 1.17 0.49 -0.17 0.00 0.00 175.17 177.09 2jf0 n PHE 321 N 4.71 0.00 -0.29 -5.34 3.72 -0.30 -4.88 117.46 115.07 2jf0 n PHE 321 Ca -0.16 -1.12 -0.08 0.00 -0.05 0.00 0.00 57.45 56.04 2jf0 n PHE 321 Cb 0.47 -0.18 -0.07 0.00 -0.94 0.00 0.00 39.48 38.77 2jf0 n PHE 321 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2jf0 n GLN 322 N -1.27 -0.31 -1.36 -1.08 1.13 -1.24 -1.36 117.38 111.90 2jf0 n GLN 322 Ca 0.16 1.25 -0.35 0.00 -1.94 0.00 0.00 57.00 56.12 2jf0 n GLN 322 Cb 0.66 -1.84 0.08 0.00 0.11 0.00 0.00 30.24 29.25 2jf0 n GLN 322 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2jf0 n ASP 323 N -4.64 7.67 -4.38 1.08 8.00 -1.26 -4.49 116.55 118.52 2jf0 n ASP 323 Ca 0.01 -3.77 -0.33 0.00 0.71 0.00 0.00 54.79 51.41 2jf0 n ASP 323 Cb 0.18 -0.99 -0.14 0.00 -0.02 0.00 0.00 41.12 40.15 2jf0 n ASP 323 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2jf0 s LEU 324 N -3.78 2.71 -0.12 0.64 2.96 -0.46 -4.97 118.68 115.66 2jf0 s LEU 324 Ca 0.63 -0.31 -0.03 0.00 -0.22 0.00 0.00 54.13 54.20 2jf0 s LEU 324 Cb 0.50 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 45.55 2jf0 s LEU 324 CO -0.04 0.19 -0.00 -1.10 -1.32 0.00 0.00 176.35 174.08 2jf0 s GLN 325 N 0.19 3.29 -0.02 1.98 1.11 -1.26 0.27 119.66 125.23 2jf0 s GLN 325 Ca -0.08 -0.43 0.01 0.00 0.01 0.00 0.00 55.36 54.87 2jf0 s GLN 325 Cb -0.15 -2.87 0.01 0.00 -1.01 0.00 0.00 33.01 28.99 2jf0 s GLN 325 CO 0.05 0.53 -0.02 0.08 0.01 0.00 0.00 175.29 175.94 2jf0 s VAL 326 N -0.39 0.26 -0.21 1.09 1.01 0.21 -1.67 120.40 120.70 2jf0 s VAL 326 Ca 0.07 -0.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.98 2jf0 s VAL 326 Cb -0.12 -0.29 -0.00 0.00 0.00 0.00 0.00 36.38 35.97 2jf0 s VAL 326 CO 0.02 0.12 -0.07 -0.22 0.00 0.00 0.00 175.10 174.95 2jf0 s LEU 327 N 0.51 2.75 0.13 3.92 2.96 -0.25 -0.09 118.68 128.60 2jf0 s LEU 327 Ca -0.05 -0.45 0.06 0.00 -0.22 0.00 0.00 54.13 53.47 2jf0 s LEU 327 Cb -0.08 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 2jf0 s LEU 327 CO -0.01 -0.02 -0.15 0.68 -1.32 0.00 0.00 176.35 175.53 2jf0 s VAL 328 N 1.44 1.44 0.03 1.68 -7.23 0.14 -0.44 120.40 117.47 2jf0 s VAL 328 Ca 0.06 -1.75 -0.27 0.00 -1.81 0.00 0.00 61.98 58.20 2jf0 s VAL 328 Cb -0.14 -1.59 0.09 0.00 0.56 0.00 0.00 36.38 35.30 2jf0 s VAL 328 CO -0.05 -0.38 1.23 -0.83 -0.31 0.00 0.00 175.10 174.75 2jf0 s GLY 329 N -2.47 -0.11 0.33 2.32 0.00 -0.96 -1.27 107.32 105.16 2jf0 s GLY 329 Ca 0.10 0.04 0.04 0.00 0.00 0.00 0.00 44.72 44.90 2jf0 s GLY 329 CO 0.04 4.10 0.19 -1.34 0.00 0.00 0.00 173.10 176.08 2jf0 s VAL 330 N -2.13 0.27 0.34 1.40 -7.23 -0.76 0.37 120.40 112.66 2jf0 s VAL 330 Ca 0.25 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.50 2jf0 s VAL 330 Cb -0.00 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.42 2jf0 s VAL 330 CO 0.00 0.00 0.18 0.68 -0.31 0.00 0.00 175.10 175.65 2jf0 s VAL 331 N -3.51 3.19 0.33 1.32 -7.23 -1.26 0.33 120.40 113.58 2jf0 s VAL 331 Ca 0.35 -1.61 0.03 0.00 -1.81 0.00 0.00 61.98 58.94 2jf0 s VAL 331 Cb 0.04 -3.04 0.28 0.00 0.56 0.00 0.00 36.38 34.23 2jf0 s VAL 331 CO 0.20 -0.19 1.95 0.50 -0.31 0.00 0.00 175.10 177.25 2jf0 h LYS 332 N 1.48 0.87 -2.18 4.82 3.64 -0.66 -3.13 116.57 121.41 2jf0 h LYS 332 Ca -0.44 -0.05 -0.58 0.00 -1.27 0.00 0.00 60.65 58.31 2jf0 h LYS 332 Cb 1.25 -0.20 -0.41 0.00 -0.41 0.00 0.00 32.23 32.46 2jf0 h LYS 332 CO 0.62 0.57 -0.74 -0.25 -2.27 0.00 0.00 179.45 177.38 2jf0 n ASP 333 N -4.47 3.25 -0.26 4.20 9.92 -0.03 -4.88 116.55 124.27 2jf0 n ASP 333 Ca 0.11 -3.39 0.24 0.00 -0.53 0.00 0.00 54.79 51.22 2jf0 n ASP 333 Cb 0.18 -0.62 0.58 0.00 -0.64 0.00 0.00 41.12 40.62 2jf0 n ASP 333 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2jf0 h GLU 334 N 3.61 0.26 -0.01 -1.24 4.39 -1.70 -3.08 114.58 116.82 2jf0 h GLU 334 Ca 0.15 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.83 2jf0 h GLU 334 Cb 0.67 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2jf0 h GLU 334 CO 0.75 0.17 -0.79 0.41 -1.16 0.00 0.00 179.01 178.39 2jf0 n GLY 335 N -1.57 -0.60 0.20 -3.84 0.00 -1.25 -4.33 105.19 93.78 2jf0 n GLY 335 Ca 0.22 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.52 2jf0 n GLY 335 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jf0 h SER 336 N 0.79 -0.34 -0.87 1.61 4.64 -1.75 -3.08 113.55 114.55 2jf0 h SER 336 Ca 0.00 -0.20 0.29 0.00 -0.47 0.00 0.00 61.79 61.41 2jf0 h SER 336 Cb 0.56 0.09 -0.16 0.00 -0.31 0.00 0.00 62.40 62.58 2jf0 h SER 336 CO 0.00 0.09 0.20 0.00 -0.87 0.00 0.00 176.83 176.24 2jf0 n TYR 337 N -5.09 0.74 0.37 4.77 -0.00 -1.26 -0.46 117.16 116.23 2jf0 n TYR 337 Ca -0.09 1.04 0.14 0.00 -0.00 0.00 0.00 57.90 58.99 2jf0 n TYR 337 Cb 0.27 -1.27 0.44 0.00 -0.00 0.00 0.00 39.34 38.78 2jf0 n TYR 337 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.86 177.60 2jf0 h PHE 338 N 0.00 0.00 -0.08 2.98 -1.00 -1.84 -3.26 116.94 113.74 2jf0 h PHE 338 Ca 0.61 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 61.26 2jf0 h PHE 338 Cb 1.43 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.98 2jf0 h PHE 338 CO -0.27 0.00 -0.54 -0.07 -1.61 0.00 0.00 178.31 175.82 2jf0 h LEU 339 N 0.00 0.24 -0.42 1.54 3.38 -0.85 -2.72 115.31 116.49 2jf0 h LEU 339 Ca 0.00 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2jf0 h LEU 339 Cb 0.67 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2jf0 h LEU 339 CO 0.00 0.74 0.00 1.33 0.09 0.00 0.00 178.44 180.60 2jf0 n VAL 340 N -3.92 0.93 -1.41 1.22 0.24 -1.23 -1.59 118.33 112.57 2jf0 n VAL 340 Ca -0.02 0.26 -0.35 0.00 -2.04 0.00 0.00 64.34 62.19 2jf0 n VAL 340 Cb 0.57 -1.12 0.07 0.00 -1.47 0.00 0.00 33.84 31.90 2jf0 n VAL 340 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2jf0 n TYR 341 N -1.92 3.20 0.00 6.34 4.02 -1.02 -4.69 117.16 123.08 2jf0 n TYR 341 Ca 0.03 -2.95 0.00 0.00 -0.01 0.00 0.00 57.90 54.97 2jf0 n TYR 341 Cb 0.20 -1.39 0.00 0.00 -0.02 0.00 0.00 39.34 38.12 2jf0 n TYR 341 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2jf0 n GLY 342 N -0.88 1.04 3.58 2.72 0.00 -1.23 -4.87 105.19 105.56 2jf0 n GLY 342 Ca 0.61 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.21 2jf0 n GLY 342 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jf0 s VAL 343 N -0.23 4.28 0.31 1.61 1.01 -0.62 -4.99 120.40 121.77 2jf0 s VAL 343 Ca 0.00 0.92 -0.29 0.00 0.00 0.00 0.00 61.98 62.62 2jf0 s VAL 343 Cb 0.00 -4.56 -0.13 0.00 0.00 0.00 0.00 36.38 31.69 2jf0 s VAL 343 CO 0.00 -1.02 1.25 -2.65 0.00 0.00 0.00 175.10 172.68 2jf0 n PRO 344 N 7.69 1.94 0.00 2.72 -0.02 -1.26 -2.44 135.00 143.63 2jf0 n PRO 344 Ca 0.09 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 2jf0 n PRO 344 Cb 0.49 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 2jf0 n PRO 344 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jf0 n GLY 345 N 1.15 0.25 3.41 -1.23 0.00 -1.26 -4.92 105.19 102.59 2jf0 n GLY 345 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 2jf0 n GLY 345 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jf0 s PHE 346 N -2.00 2.71 -0.06 1.61 0.40 -1.02 -4.49 117.98 115.13 2jf0 s PHE 346 Ca 0.00 -0.42 -0.31 0.00 -0.60 0.00 0.00 56.93 55.60 2jf0 s PHE 346 Cb 0.00 -1.71 0.08 0.00 0.51 0.00 0.00 43.02 41.89 2jf0 s PHE 346 CO 0.00 -0.02 0.72 0.45 0.70 0.00 0.00 175.22 177.06 2jf0 s SER 347 N -0.22 -0.63 0.00 1.36 0.15 -1.26 -4.56 113.70 108.54 2jf0 s SER 347 Ca 0.00 0.68 0.18 0.00 0.70 0.00 0.00 55.95 57.52 2jf0 s SER 347 Cb -0.13 0.51 0.88 0.00 -1.71 0.00 0.00 66.02 65.57 2jf0 s SER 347 CO 0.03 -0.58 1.55 2.29 1.20 0.00 0.00 173.24 177.73 2jf0 n LYS 348 N 0.88 0.20 -0.10 5.44 2.85 -1.26 -4.18 118.16 121.99 2jf0 n LYS 348 Ca -0.18 0.13 -0.13 0.00 -1.05 0.00 0.00 58.31 57.08 2jf0 n LYS 348 Cb 0.57 -1.50 -0.04 0.00 -0.65 0.00 0.00 35.03 33.41 2jf0 n LYS 348 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2jf0 n ASP 349 N -1.33 1.94 -4.69 -5.58 8.00 -1.26 -4.29 116.55 109.34 2jf0 n ASP 349 Ca 0.08 0.35 -0.29 0.00 0.71 0.00 0.00 54.79 55.63 2jf0 n ASP 349 Cb 0.16 -0.76 0.12 0.00 -0.02 0.00 0.00 41.12 40.61 2jf0 n ASP 349 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2jf0 s ASN 350 N -6.22 4.08 0.00 -2.24 2.20 -1.26 -4.96 114.94 106.55 2jf0 s ASN 350 Ca -0.30 0.65 0.20 0.00 -0.94 0.00 0.00 52.86 52.47 2jf0 s ASN 350 Cb 0.06 -1.02 1.21 0.00 -2.00 0.00 0.00 41.25 39.50 2jf0 s ASN 350 CO 0.43 -2.16 1.67 -0.62 -2.94 0.00 0.00 177.10 173.49 2jf0 n GLU 351 N -3.46 0.82 -3.79 3.55 1.02 -1.26 -4.69 120.64 112.83 2jf0 n GLU 351 Ca 0.10 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.96 2jf0 n GLU 351 Cb 0.61 -1.39 0.05 0.00 -0.02 0.00 0.00 31.44 30.69 2jf0 n GLU 351 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2jf0 n SER 352 N -0.89 -5.29 -4.57 1.62 7.64 -1.26 -4.89 113.62 105.97 2jf0 n SER 352 Ca 0.15 -0.69 -0.41 0.00 1.01 0.00 0.00 58.87 58.93 2jf0 n SER 352 Cb 0.07 -4.34 -0.03 0.00 -1.01 0.00 0.00 64.21 58.90 2jf0 n SER 352 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jf0 s LEU 353 N -7.27 3.39 0.31 -3.43 1.43 -1.26 -4.69 118.68 107.16 2jf0 s LEU 353 Ca 0.61 0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 54.09 2jf0 s LEU 353 Cb -0.29 -3.01 -0.04 0.00 0.03 0.00 0.00 46.19 42.88 2jf0 s LEU 353 CO 0.79 -1.82 0.52 0.27 0.23 0.00 0.00 176.35 176.34 2jf0 s ILE 354 N 6.63 5.11 0.73 -0.59 -4.36 -1.24 -4.97 121.20 122.50 2jf0 s ILE 354 Ca 0.57 -0.37 -0.12 0.00 -0.26 0.00 0.00 60.65 60.48 2jf0 s ILE 354 Cb -0.12 -3.82 0.03 0.00 1.25 0.00 0.00 42.46 39.80 2jf0 s ILE 354 CO 0.25 -0.46 1.11 -0.94 0.24 0.00 0.00 174.94 175.14 2jf0 s SER 355 N -3.75 5.21 0.23 4.36 1.04 -1.26 -4.26 113.70 115.27 2jf0 s SER 355 Ca 0.40 1.11 -0.07 0.00 0.48 0.00 0.00 55.95 57.88 2jf0 s SER 355 Cb -0.10 -1.87 0.30 0.00 0.10 0.00 0.00 66.02 64.45 2jf0 s SER 355 CO 0.34 -1.49 1.84 -0.09 0.98 0.00 0.00 173.24 174.82 2jf0 h ARG 356 N -0.76 0.89 -0.43 4.02 2.43 -1.89 -0.17 114.38 118.47 2jf0 h ARG 356 Ca -0.45 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 58.70 2jf0 h ARG 356 Cb 1.26 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 30.57 2jf0 h ARG 356 CO 0.63 0.59 0.19 0.00 -1.51 0.00 0.00 179.97 179.88 2jf0 h ALA 357 N 1.38 0.53 -0.10 2.80 0.00 -1.99 0.18 119.26 122.06 2jf0 h ALA 357 Ca 0.35 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.19 2jf0 h ALA 357 Cb 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2jf0 h ALA 357 CO -0.16 -0.17 -0.36 1.96 0.00 0.00 0.00 179.25 180.52 2jf0 h GLN 358 N 0.39 0.21 0.31 0.00 4.20 -1.83 -0.93 115.11 117.46 2jf0 h GLN 358 Ca 0.19 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 2jf0 h GLN 358 Cb 0.12 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.90 2jf0 h GLN 358 CO -0.15 0.54 -0.15 0.35 -0.67 0.00 0.00 178.83 178.75 2jf0 h PHE 359 N 0.18 -0.39 -0.48 2.96 3.04 0.17 0.30 116.94 122.73 2jf0 h PHE 359 Ca 0.02 -0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.03 2jf0 h PHE 359 Cb 0.72 0.13 -0.06 0.00 2.56 0.00 0.00 35.95 39.30 2jf0 h PHE 359 CO 0.01 -0.13 0.15 -0.07 -2.02 0.00 0.00 178.31 176.25 2jf0 h LEU 360 N -0.60 0.12 -0.70 0.59 3.38 -0.32 -0.79 115.31 116.99 2jf0 h LEU 360 Ca -0.04 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2jf0 h LEU 360 Cb 0.44 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 2jf0 h LEU 360 CO 0.07 0.10 0.27 0.00 0.09 0.00 0.00 178.44 178.97 2jf0 h ALA 361 N 1.33 0.90 -0.32 1.53 0.00 -1.15 -2.66 119.26 118.90 2jf0 h ALA 361 Ca 0.23 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2jf0 h ALA 361 Cb 0.26 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2jf0 h ALA 361 CO -0.26 0.53 0.15 0.78 0.00 0.00 0.00 179.25 180.46 2jf0 h GLY 362 N 0.99 0.48 1.41 0.00 0.00 0.56 -2.46 103.07 104.05 2jf0 h GLY 362 Ca 0.23 -0.20 -0.14 0.00 0.00 0.00 0.00 47.33 47.22 2jf0 h GLY 362 CO -0.02 0.20 -0.42 -2.08 0.00 0.00 0.00 176.54 174.22 2jf0 h VAL 363 N 0.45 1.30 -0.22 4.60 2.07 -0.83 0.51 116.25 124.13 2jf0 h VAL 363 Ca 0.12 -1.59 -0.08 0.00 0.82 0.00 0.00 66.70 65.96 2jf0 h VAL 363 Cb 0.05 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 2jf0 h VAL 363 CO -0.02 0.51 -0.22 0.03 0.02 0.00 0.00 177.57 177.90 2jf0 h ARG 364 N 0.53 0.40 -0.04 1.57 2.47 -1.31 0.21 114.38 118.21 2jf0 h ARG 364 Ca 0.04 -0.14 -0.10 0.00 -1.26 0.00 0.00 59.98 58.52 2jf0 h ARG 364 Cb 0.94 -0.03 0.01 0.00 -1.65 0.00 0.00 29.97 29.24 2jf0 h ARG 364 CO 0.09 0.60 -0.38 0.82 0.56 0.00 0.00 179.97 181.66 2jf0 h ILE 365 N 0.36 1.45 -0.03 2.04 2.04 -1.17 -2.88 117.51 119.32 2jf0 h ILE 365 Ca 0.06 -1.86 -0.15 0.00 1.00 0.00 0.00 64.86 63.90 2jf0 h ILE 365 Cb 0.59 2.48 -0.02 0.00 -0.74 0.00 0.00 36.82 39.13 2jf0 h ILE 365 CO 0.04 0.53 -0.69 1.23 0.00 0.00 0.00 178.15 179.26 2jf0 h GLY 366 N -0.20 0.15 -6.00 5.37 0.00 0.17 -2.60 103.07 99.95 2jf0 h GLY 366 Ca -0.04 -0.21 -0.61 0.00 0.00 0.00 0.00 47.33 46.48 2jf0 h GLY 366 CO 0.08 0.19 -0.52 -0.62 0.00 0.00 0.00 176.54 175.66 2jf0 n VAL 367 N -3.77 2.73 0.32 4.60 0.31 0.74 -4.81 118.33 118.45 2jf0 n VAL 367 Ca -0.02 -5.36 0.21 0.00 -0.01 0.00 0.00 64.34 59.16 2jf0 n VAL 367 Cb 0.67 -1.92 1.02 0.00 -0.91 0.00 0.00 33.84 32.71 2jf0 n VAL 367 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2jf0 h PRO 368 N 3.93 0.00 -0.00 5.55 0.13 -1.54 0.34 132.00 140.40 2jf0 h PRO 368 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2jf0 h PRO 368 Cb 0.61 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 2jf0 h PRO 368 CO 0.86 0.00 -0.07 1.04 -0.23 0.00 0.00 178.00 179.60 2jf0 n GLN 369 N -3.09 0.75 -2.55 0.86 3.00 -1.26 -4.88 117.38 110.20 2jf0 n GLN 369 Ca -0.02 -0.21 -0.42 0.00 -0.01 0.00 0.00 57.00 56.34 2jf0 n GLN 369 Cb 0.16 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 28.88 2jf0 n GLN 369 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2jf0 s ALA 370 N -2.40 3.42 1.20 -1.58 0.00 0.11 -5.04 121.76 117.47 2jf0 s ALA 370 Ca 0.32 0.56 -0.14 0.00 0.00 0.00 0.00 51.96 52.70 2jf0 s ALA 370 Cb 0.20 -3.47 0.30 0.00 0.00 0.00 0.00 23.12 20.15 2jf0 s ALA 370 CO 0.45 -0.63 1.02 -1.54 0.00 0.00 0.00 175.76 175.06 2jf0 s SER 371 N 1.27 0.70 0.15 0.00 1.04 -1.26 -4.71 113.70 110.89 2jf0 s SER 371 Ca 0.53 1.39 -0.18 0.00 0.48 0.00 0.00 55.95 58.17 2jf0 s SER 371 Cb -0.23 -2.14 0.03 0.00 0.10 0.00 0.00 66.02 63.78 2jf0 s SER 371 CO 0.22 -4.35 1.70 0.44 0.98 0.00 0.00 173.24 172.22 2jf0 h ASP 372 N -2.73 -0.22 -0.22 7.02 5.19 -1.97 0.03 116.42 123.52 2jf0 h ASP 372 Ca -0.61 0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 55.88 2jf0 h ASP 372 Cb 1.34 0.16 -0.01 0.00 0.18 0.00 0.00 39.33 41.00 2jf0 h ASP 372 CO 0.49 -0.07 0.12 0.25 -3.12 0.00 0.00 179.24 176.91 2jf0 h LEU 373 N 0.03 0.28 -0.86 1.55 5.85 -1.92 0.13 115.31 120.37 2jf0 h LEU 373 Ca 0.14 -0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.84 2jf0 h LEU 373 Cb 0.20 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 2jf0 h LEU 373 CO -0.28 0.29 0.53 0.00 -0.34 0.00 0.00 178.44 178.64 2jf0 h ALA 374 N 1.00 1.19 -0.40 1.25 0.00 -1.85 0.16 119.26 120.62 2jf0 h ALA 374 Ca 0.08 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2jf0 h ALA 374 Cb 0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2jf0 h ALA 374 CO -0.01 0.25 -0.00 0.00 0.00 0.00 0.00 179.25 179.48 2jf0 h ALA 375 N 1.42 0.53 -0.83 0.00 0.00 -0.30 0.17 119.26 120.26 2jf0 h ALA 375 Ca 0.38 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 55.06 2jf0 h ALA 375 Cb 0.21 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 2jf0 h ALA 375 CO -0.19 0.32 0.53 0.93 0.00 0.00 0.00 179.25 180.84 2jf0 h GLU 376 N 0.53 1.02 -0.52 0.00 3.07 -0.23 0.22 114.58 118.66 2jf0 h GLU 376 Ca 0.11 -0.06 0.02 0.00 -0.50 0.00 0.00 59.36 58.93 2jf0 h GLU 376 Cb 0.48 -0.23 -0.03 0.00 -0.84 0.00 0.00 28.75 28.13 2jf0 h GLU 376 CO 0.02 0.67 0.32 0.00 -1.40 0.00 0.00 179.01 178.63 2jf0 h ALA 377 N 1.34 0.67 0.17 3.43 0.00 -0.11 0.91 119.26 125.67 2jf0 h ALA 377 Ca 0.32 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 2jf0 h ALA 377 Cb -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2jf0 h ALA 377 CO -0.10 0.05 -0.08 0.28 0.00 0.00 0.00 179.25 179.39 2jf0 h VAL 378 N 0.65 0.84 -0.52 0.00 2.07 -0.52 0.13 116.25 118.91 2jf0 h VAL 378 Ca 0.20 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.69 2jf0 h VAL 378 Cb -0.01 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 2jf0 h VAL 378 CO -0.08 0.01 0.34 0.58 0.02 0.00 0.00 177.57 178.44 2jf0 h VAL 379 N -0.25 1.14 -0.72 2.57 2.07 0.02 0.32 116.25 121.40 2jf0 h VAL 379 Ca -0.02 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 2jf0 h VAL 379 Cb 0.19 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 2jf0 h VAL 379 CO 0.04 0.13 0.37 -0.07 0.02 0.00 0.00 177.57 178.06 2jf0 h LEU 380 N 0.70 0.93 -0.75 2.57 3.38 0.98 -0.51 115.31 122.61 2jf0 h LEU 380 Ca 0.19 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 2jf0 h LEU 380 Cb -0.07 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.41 2jf0 h LEU 380 CO -0.04 0.79 0.11 -0.74 0.09 0.00 0.00 178.44 178.65 2jf0 h HIS 381 N 1.00 1.13 0.00 1.13 2.76 0.32 -3.28 115.15 118.21 2jf0 h HIS 381 Ca 0.25 -0.15 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 2jf0 h HIS 381 Cb 0.09 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 28.74 2jf0 h HIS 381 CO 0.00 0.94 -1.06 0.66 -1.30 0.00 0.00 177.93 177.18 2jf0 n TYR 382 N -4.22 0.12 -1.92 5.26 4.02 -0.00 -4.82 117.16 115.59 2jf0 n TYR 382 Ca 0.04 0.03 -0.42 0.00 -0.01 0.00 0.00 57.90 57.55 2jf0 n TYR 382 Cb 0.28 -0.28 -0.03 0.00 -0.02 0.00 0.00 39.34 39.29 2jf0 n TYR 382 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2jf0 s THR 383 N -3.14 2.59 -0.79 -0.72 2.01 -0.22 -4.80 115.64 110.57 2jf0 s THR 383 Ca 0.05 0.42 -0.23 0.00 0.31 0.00 0.00 61.69 62.24 2jf0 s THR 383 Cb 0.15 -3.27 0.07 0.00 0.01 0.00 0.00 72.50 69.46 2jf0 s THR 383 CO 0.82 0.03 1.17 -0.62 -0.69 0.00 0.00 174.62 175.33 2jf0 s ASP 384 N 1.12 6.30 0.06 3.53 -1.08 -1.26 -4.89 116.67 120.45 2jf0 s ASP 384 Ca 0.70 -1.10 0.05 0.00 -0.52 0.00 0.00 52.55 51.68 2jf0 s ASP 384 Cb -0.44 -2.48 0.28 0.00 -1.46 0.00 0.00 42.92 38.81 2jf0 s ASP 384 CO 0.32 -1.50 1.16 0.79 0.52 0.00 0.00 175.17 176.46 2jf0 n TRP 385 N 8.19 0.15 0.07 -5.34 7.02 -1.26 0.12 117.44 126.39 2jf0 n TRP 385 Ca 0.09 0.08 -0.13 0.00 -1.02 0.00 0.00 57.50 56.52 2jf0 n TRP 385 Cb 0.48 -0.62 -0.04 0.00 -2.42 0.00 0.00 31.31 28.71 2jf0 n TRP 385 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 2jf0 h LEU 386 N 0.00 0.50 -6.02 -0.99 6.46 -2.03 -3.35 115.31 109.88 2jf0 h LEU 386 Ca 0.00 -0.39 -0.58 0.00 -0.12 0.00 0.00 57.88 56.79 2jf0 h LEU 386 Cb 0.02 -0.15 -0.41 0.00 -0.73 0.00 0.00 40.66 39.39 2jf0 h LEU 386 CO 0.00 1.19 -0.83 1.41 -0.62 0.00 0.00 178.44 179.59 2jf0 n HIS 387 N -3.74 2.00 0.31 1.25 8.25 0.12 -4.98 115.22 118.44 2jf0 n HIS 387 Ca -0.06 -3.90 0.16 0.00 -0.26 0.00 0.00 57.72 53.65 2jf0 n HIS 387 Cb 0.82 -0.47 0.62 0.00 1.12 0.00 0.00 29.99 32.09 2jf0 n HIS 387 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2jf0 h PRO 388 N 3.90 0.00 -0.00 -0.41 0.13 -1.58 -2.88 132.00 131.15 2jf0 h PRO 388 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2jf0 h PRO 388 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 2jf0 h PRO 388 CO 0.68 0.00 -0.02 0.39 -0.23 0.00 0.00 178.00 178.82 2jf0 n GLU 389 N -2.86 0.57 -1.68 0.86 1.02 -1.26 -4.87 120.64 112.43 2jf0 n GLU 389 Ca 0.01 -0.56 -0.47 0.00 -0.02 0.00 0.00 57.16 56.12 2jf0 n GLU 389 Cb 0.29 -0.98 -0.04 0.00 -0.02 0.00 0.00 31.44 30.69 2jf0 n GLU 389 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2jf0 n ASP 390 N -0.05 3.63 0.04 1.62 2.03 -1.09 -4.68 116.55 118.06 2jf0 n ASP 390 Ca 0.01 0.95 -0.05 0.00 0.52 0.00 0.00 54.79 56.23 2jf0 n ASP 390 Cb 0.07 -1.41 0.16 0.00 -0.72 0.00 0.00 41.12 39.22 2jf0 n ASP 390 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2jf0 h PRO 391 N 9.58 0.40 -0.59 -0.67 0.11 -1.91 -1.51 132.00 137.40 2jf0 h PRO 391 Ca -0.49 -0.20 0.05 0.00 0.11 0.00 0.00 66.00 65.47 2jf0 h PRO 391 Cb 1.26 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.33 2jf0 h PRO 391 CO 0.95 0.74 0.32 1.15 -0.21 0.00 0.00 178.00 180.95 2jf0 h THR 392 N 0.33 0.98 0.02 -1.15 2.02 -1.89 -0.39 112.91 112.84 2jf0 h THR 392 Ca 0.03 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 2jf0 h THR 392 Cb 0.86 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 2jf0 h THR 392 CO 0.07 0.11 -0.01 0.45 0.37 0.00 0.00 175.52 176.51 2jf0 h HIS 393 N 0.62 -0.02 -0.79 3.16 3.86 -1.82 -1.22 115.15 118.93 2jf0 h HIS 393 Ca 0.26 -0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.48 2jf0 h HIS 393 Cb 0.14 0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.57 2jf0 h HIS 393 CO -0.08 0.18 0.52 -0.07 0.86 0.00 0.00 177.93 179.33 2jf0 h LEU 394 N -0.22 0.89 0.63 2.43 3.38 -1.08 0.90 115.31 122.24 2jf0 h LEU 394 Ca -0.00 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2jf0 h LEU 394 Cb 0.21 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.75 2jf0 h LEU 394 CO 0.00 0.64 -0.30 -0.09 0.09 0.00 0.00 178.44 178.78 2jf0 h ARG 395 N 1.05 -0.81 -0.68 1.13 1.12 -1.04 0.28 114.38 115.43 2jf0 h ARG 395 Ca 0.30 0.06 0.13 0.00 -1.11 0.00 0.00 59.98 59.35 2jf0 h ARG 395 Cb -0.08 0.18 -0.09 0.00 -0.01 0.00 0.00 29.97 29.97 2jf0 h ARG 395 CO -0.08 -0.51 0.21 -0.44 -3.11 0.00 0.00 179.97 176.04 2jf0 h ASP 396 N -0.93 0.13 -0.58 -3.80 3.32 -0.85 0.32 116.42 114.02 2jf0 h ASP 396 Ca -0.09 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2jf0 h ASP 396 Cb 0.68 0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.32 2jf0 h ASP 396 CO 0.14 0.05 0.37 0.00 -1.72 0.00 0.00 179.24 178.09 2jf0 h ALA 397 N 1.52 0.74 -0.63 3.45 0.00 0.11 0.21 119.26 124.66 2jf0 h ALA 397 Ca 0.36 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.25 2jf0 h ALA 397 Cb 0.55 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2jf0 h ALA 397 CO -0.41 0.19 0.39 1.98 0.00 0.00 0.00 179.25 181.40 2jf0 h MET 398 N 0.79 0.74 0.14 0.00 1.85 0.51 0.91 114.93 119.88 2jf0 h MET 398 Ca 0.21 -0.04 0.00 0.00 -0.61 0.00 0.00 59.70 59.26 2jf0 h MET 398 Cb -0.06 -0.17 -0.02 0.00 0.43 0.00 0.00 31.60 31.78 2jf0 h MET 398 CO -0.04 0.49 -0.27 1.03 -0.40 0.00 0.00 176.91 177.72 2jf0 h SER 399 N 0.77 -0.78 -0.81 1.39 0.87 -0.30 -2.34 113.55 112.34 2jf0 h SER 399 Ca 0.25 0.08 0.13 0.00 -1.23 0.00 0.00 61.79 61.02 2jf0 h SER 399 Cb 0.02 0.28 -0.14 0.00 -0.44 0.00 0.00 62.40 62.11 2jf0 h SER 399 CO -0.10 -0.31 -0.35 0.00 -0.53 0.00 0.00 176.83 175.54 2jf0 h ALA 400 N -1.14 0.11 -0.66 6.23 0.00 -0.26 0.53 119.26 124.06 2jf0 h ALA 400 Ca -0.01 0.23 0.14 0.00 0.00 0.00 0.00 54.91 55.27 2jf0 h ALA 400 Cb 0.41 0.89 -0.11 0.00 0.00 0.00 0.00 17.79 18.98 2jf0 h ALA 400 CO -0.10 -0.63 0.04 0.28 0.00 0.00 0.00 179.25 178.84 2jf0 h VAL 401 N -0.07 0.48 -0.06 0.00 2.07 0.97 0.13 116.25 119.78 2jf0 h VAL 401 Ca 0.30 -0.05 -0.09 0.00 0.82 0.00 0.00 66.70 67.68 2jf0 h VAL 401 Cb 0.58 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2jf0 h VAL 401 CO -0.85 0.03 -0.32 0.58 0.02 0.00 0.00 177.57 177.03 2jf0 h VAL 402 N 0.15 1.44 -0.44 2.57 2.07 -0.47 -1.02 116.25 120.55 2jf0 h VAL 402 Ca 0.35 -1.76 -0.07 0.00 0.82 0.00 0.00 66.70 66.04 2jf0 h VAL 402 Cb 0.59 2.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.73 2jf0 h VAL 402 CO -0.54 0.50 -0.03 1.23 0.02 0.00 0.00 177.57 178.75 2jf0 h GLY 403 N -0.20 0.78 0.37 2.17 0.00 -0.56 -1.15 103.07 104.48 2jf0 h GLY 403 Ca -0.02 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 2jf0 h GLY 403 CO 0.07 0.49 -0.08 -0.55 0.00 0.00 0.00 176.54 176.46 2jf0 h ASP 404 N 0.68 -0.19 -0.96 0.19 3.32 -0.75 1.48 116.42 120.19 2jf0 h ASP 404 Ca 0.13 -0.35 0.10 0.00 0.02 0.00 0.00 57.03 56.93 2jf0 h ASP 404 Cb 0.46 0.05 -0.08 0.00 0.22 0.00 0.00 39.33 39.98 2jf0 h ASP 404 CO 0.02 0.36 0.60 -0.74 -1.72 0.00 0.00 179.24 177.76 2jf0 h HIS 405 N -0.86 1.10 0.01 4.55 -0.00 -1.21 -0.35 115.15 118.39 2jf0 h HIS 405 Ca -0.02 0.03 -0.36 0.00 -0.00 0.00 0.00 60.37 60.02 2jf0 h HIS 405 Cb 0.52 -0.35 -0.06 0.00 -0.00 0.00 0.00 27.41 27.52 2jf0 h HIS 405 CO 0.08 0.48 -2.24 0.09 -0.00 0.00 0.00 177.93 176.34 2jf0 n ASN 406 N -4.61 0.88 0.08 3.26 3.02 -0.44 -4.48 115.26 112.97 2jf0 n ASN 406 Ca 0.17 0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 2jf0 n ASN 406 Cb 0.29 0.25 0.00 0.00 -0.61 0.00 0.00 39.78 39.71 2jf0 n ASN 406 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2jf0 n VAL 407 N -3.01 0.74 -0.09 2.41 0.31 0.45 -4.70 118.33 114.44 2jf0 n VAL 407 Ca -0.33 0.25 -0.07 0.00 -0.01 0.00 0.00 64.34 64.18 2jf0 n VAL 407 Cb 1.09 -1.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 2jf0 n VAL 407 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2jf0 h VAL 408 N 0.00 0.92 -0.07 2.52 2.07 0.05 0.54 116.25 122.28 2jf0 h VAL 408 Ca 0.00 -0.09 -0.16 0.00 0.82 0.00 0.00 66.70 67.27 2jf0 h VAL 408 Cb 0.06 0.64 0.01 0.00 -1.52 0.00 0.00 31.29 30.48 2jf0 h VAL 408 CO 0.00 0.05 -0.59 0.00 0.02 0.00 0.00 177.57 177.05 2jf0 h PRO 410 N 0.10 0.77 -0.58 0.00 0.11 -1.65 0.24 132.00 130.98 2jf0 h PRO 410 Ca -0.05 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.96 2jf0 h PRO 410 Cb 1.25 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 2jf0 h PRO 410 CO 0.12 0.51 0.17 0.28 -0.21 0.00 0.00 178.00 178.86 2jf0 h VAL 411 N 0.79 1.24 -0.67 3.15 2.07 0.48 0.18 116.25 123.49 2jf0 h VAL 411 Ca 0.41 -0.85 -0.06 0.00 0.82 0.00 0.00 66.70 67.03 2jf0 h VAL 411 Cb 0.51 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 2jf0 h VAL 411 CO -0.18 0.32 0.20 0.00 0.02 0.00 0.00 177.57 177.93 2jf0 h ALA 412 N 1.04 0.88 -0.19 1.67 0.00 0.12 0.47 119.26 123.25 2jf0 h ALA 412 Ca 0.19 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2jf0 h ALA 412 Cb 0.31 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2jf0 h ALA 412 CO -0.00 0.57 0.06 0.37 0.00 0.00 0.00 179.25 180.24 2jf0 h GLN 413 N 0.99 0.29 -0.18 0.00 4.15 -0.36 0.33 115.11 120.33 2jf0 h GLN 413 Ca 0.21 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.54 2jf0 h GLN 413 Cb 0.32 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 2jf0 h GLN 413 CO -0.00 0.41 0.01 1.25 -1.93 0.00 0.00 178.83 178.56 2jf0 h LEU 414 N 0.12 0.31 -0.41 -2.39 5.85 -0.67 0.35 115.31 118.48 2jf0 h LEU 414 Ca 0.06 -0.29 0.08 0.00 0.84 0.00 0.00 57.88 58.57 2jf0 h LEU 414 Cb 0.24 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.11 2jf0 h LEU 414 CO -0.00 0.53 -0.11 0.00 -0.34 0.00 0.00 178.44 178.52 2jf0 h ALA 415 N 0.79 0.26 -0.27 1.25 0.00 0.05 0.28 119.26 121.63 2jf0 h ALA 415 Ca 0.05 0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 2jf0 h ALA 415 Cb 0.36 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2jf0 h ALA 415 CO 0.01 -0.46 -0.16 0.78 0.00 0.00 0.00 179.25 179.42 2jf0 h GLY 416 N -0.01 0.63 1.11 0.00 0.00 -0.65 -0.67 103.07 103.48 2jf0 h GLY 416 Ca 0.20 -0.58 -0.09 0.00 0.00 0.00 0.00 47.33 46.85 2jf0 h GLY 416 CO -0.42 0.53 0.04 3.21 0.00 0.00 0.00 176.54 179.89 2jf0 h ARG 417 N 0.31 1.07 -0.45 4.80 2.47 0.13 -1.42 114.38 121.29 2jf0 h ARG 417 Ca 0.06 -0.32 -0.07 0.00 -1.26 0.00 0.00 59.98 58.39 2jf0 h ARG 417 Cb 0.68 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.88 2jf0 h ARG 417 CO 0.04 1.02 0.00 -0.07 0.56 0.00 0.00 179.97 181.53 2jf0 h LEU 418 N 0.99 0.77 0.24 3.04 3.38 -0.32 -0.82 115.31 122.59 2jf0 h LEU 418 Ca 0.18 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2jf0 h LEU 418 Cb 0.51 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2jf0 h LEU 418 CO 0.02 0.89 -0.12 0.00 0.09 0.00 0.00 178.44 179.32 2jf0 h ALA 419 N 0.91 -0.33 -0.62 1.53 0.00 -0.95 0.37 119.26 120.18 2jf0 h ALA 419 Ca 0.13 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.05 2jf0 h ALA 419 Cb 0.49 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 2jf0 h ALA 419 CO 0.02 -0.69 0.28 0.00 0.00 0.00 0.00 179.25 178.86 2jf0 h ALA 420 N 0.42 0.81 -0.08 0.00 0.00 -1.18 -0.95 119.26 118.28 2jf0 h ALA 420 Ca -0.03 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2jf0 h ALA 420 Cb 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2jf0 h ALA 420 CO 0.04 -0.12 0.00 1.04 0.00 0.00 0.00 179.25 180.22 2jf0 n GLN 421 N -4.92 1.50 -0.45 0.00 3.00 -0.32 -4.85 117.38 111.34 2jf0 n GLN 421 Ca 0.08 -0.42 0.00 0.00 -0.01 0.00 0.00 57.00 56.65 2jf0 n GLN 421 Cb 0.24 -1.55 0.00 0.00 0.00 0.00 0.00 30.24 28.93 2jf0 n GLN 421 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2jf0 n GLY 422 N 0.15 0.75 3.79 1.08 0.00 -0.36 -1.15 105.19 109.44 2jf0 n GLY 422 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 2jf0 n GLY 422 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jf0 s ALA 423 N -2.46 2.66 -0.28 4.61 0.00 0.13 -3.82 121.76 122.59 2jf0 s ALA 423 Ca 0.00 0.45 -0.19 0.00 0.00 0.00 0.00 51.96 52.21 2jf0 s ALA 423 Cb 0.00 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 2jf0 s ALA 423 CO 0.00 -0.95 0.59 0.50 0.00 0.00 0.00 175.76 175.90 2jf0 s ARG 424 N -4.06 4.00 -0.07 0.00 3.52 0.14 -4.41 118.95 118.07 2jf0 s ARG 424 Ca 0.65 0.36 0.04 0.00 -0.13 0.00 0.00 55.73 56.65 2jf0 s ARG 424 Cb -0.18 -3.68 0.00 0.00 -1.56 0.00 0.00 34.95 29.53 2jf0 s ARG 424 CO 0.38 -0.46 -0.20 0.08 -0.81 0.00 0.00 175.30 174.29 2jf0 s VAL 425 N 2.47 1.73 -0.06 7.11 1.01 -1.25 0.66 120.40 132.08 2jf0 s VAL 425 Ca 0.24 -0.85 0.06 0.00 0.00 0.00 0.00 61.98 61.43 2jf0 s VAL 425 Cb -0.15 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.72 2jf0 s VAL 425 CO 0.10 0.49 -0.24 -0.31 0.00 0.00 0.00 175.10 175.14 2jf0 s TYR 426 N 0.27 2.32 0.16 5.22 1.51 0.87 0.23 117.35 127.92 2jf0 s TYR 426 Ca -0.13 -0.71 0.09 0.00 -1.01 0.00 0.00 57.07 55.31 2jf0 s TYR 426 Cb -0.16 -1.53 -0.04 0.00 -0.11 0.00 0.00 41.96 40.12 2jf0 s TYR 426 CO 0.06 -0.23 -0.19 0.00 -1.11 0.00 0.00 175.55 174.08 2jf0 s ALA 427 N -0.08 2.02 0.07 3.71 0.00 -1.24 0.28 121.76 126.52 2jf0 s ALA 427 Ca -0.05 -1.47 -0.08 0.00 0.00 0.00 0.00 51.96 50.36 2jf0 s ALA 427 Cb -0.14 -0.20 -0.00 0.00 0.00 0.00 0.00 23.12 22.78 2jf0 s ALA 427 CO 0.04 0.26 0.18 1.52 0.00 0.00 0.00 175.76 177.76 2jf0 s TYR 428 N -1.91 0.15 -0.04 0.00 -0.85 -0.39 -1.45 117.35 112.85 2jf0 s TYR 428 Ca 0.15 -0.53 0.07 0.00 -0.52 0.00 0.00 57.07 56.24 2jf0 s TYR 428 Cb -0.06 -0.07 -0.01 0.00 0.38 0.00 0.00 41.96 42.19 2jf0 s TYR 428 CO 0.06 -0.51 -0.25 -1.50 -1.52 0.00 0.00 175.55 171.83 2jf0 s ILE 429 N -3.54 2.04 -0.28 -3.49 2.07 -0.06 -1.83 121.20 116.12 2jf0 s ILE 429 Ca 0.03 -1.08 -0.09 0.00 -1.41 0.00 0.00 60.65 58.10 2jf0 s ILE 429 Cb 0.04 -1.71 -0.03 0.00 0.13 0.00 0.00 42.46 40.89 2jf0 s ILE 429 CO -0.09 0.57 0.13 0.12 -1.91 0.00 0.00 174.94 173.76 2jf0 s PHE 430 N -0.37 3.15 0.00 3.50 2.19 0.15 0.57 117.98 127.17 2jf0 s PHE 430 Ca 0.03 -0.35 0.00 0.00 0.33 0.00 0.00 56.93 56.94 2jf0 s PHE 430 Cb -0.12 -2.31 0.00 0.00 -1.31 0.00 0.00 43.02 39.28 2jf0 s PHE 430 CO 0.01 -0.35 0.50 0.39 1.83 0.00 0.00 175.22 177.60 2jf0 n GLU 431 N 4.98 -0.79 -3.13 10.12 1.02 0.12 -0.17 120.64 132.80 2jf0 n GLU 431 Ca -0.15 -0.52 -0.41 0.00 -0.02 0.00 0.00 57.16 56.06 2jf0 n GLU 431 Cb 0.51 -0.97 -0.07 0.00 -0.02 0.00 0.00 31.44 30.89 2jf0 n GLU 431 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2jf0 s HIS 432 N -0.04 3.20 -0.12 -0.32 2.46 -1.24 -4.90 115.29 114.33 2jf0 s HIS 432 Ca 0.00 0.50 -0.30 0.00 0.47 0.00 0.00 55.06 55.74 2jf0 s HIS 432 Cb 0.00 -3.00 -0.02 0.00 -0.13 0.00 0.00 32.58 29.44 2jf0 s HIS 432 CO 0.00 -0.50 1.16 0.50 -2.47 0.00 0.00 174.74 173.43 2jf0 s ARG 433 N 2.59 4.32 0.12 2.88 3.52 -1.26 -4.90 118.95 126.22 2jf0 s ARG 433 Ca 0.24 1.57 -0.35 0.00 -0.13 0.00 0.00 55.73 57.06 2jf0 s ARG 433 Cb -0.15 -3.62 -0.15 0.00 -1.56 0.00 0.00 34.95 29.47 2jf0 s ARG 433 CO 0.12 -0.51 1.46 0.00 -0.81 0.00 0.00 175.30 175.56 2jf0 n ALA 434 N 5.68 0.15 0.19 6.12 0.00 -1.26 -4.86 120.51 126.52 2jf0 n ALA 434 Ca 0.11 0.48 0.07 0.00 0.00 0.00 0.00 53.44 54.10 2jf0 n ALA 434 Cb 0.46 -2.21 0.56 0.00 0.00 0.00 0.00 19.45 18.27 2jf0 n ALA 434 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2jf0 h SER 435 N 5.23 0.13 -0.03 0.00 4.64 -1.94 -1.77 113.55 119.80 2jf0 h SER 435 Ca -0.46 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2jf0 h SER 435 Cb 1.30 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2jf0 h SER 435 CO 0.83 0.12 0.00 0.35 -0.87 0.00 0.00 176.83 177.26 2jf0 n THR 436 N -4.50 0.04 -1.89 2.95 -2.24 -1.26 -4.94 114.28 102.44 2jf0 n THR 436 Ca -0.01 -0.06 -0.42 0.00 -2.27 0.00 0.00 64.05 61.29 2jf0 n THR 436 Cb 0.10 -0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.15 2jf0 n THR 436 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2jf0 s LEU 437 N -1.49 4.37 0.36 3.22 2.96 -0.67 -4.88 118.68 122.55 2jf0 s LEU 437 Ca 0.25 2.49 0.23 0.00 -0.22 0.00 0.00 54.13 56.87 2jf0 s LEU 437 Cb 0.12 -3.55 0.22 0.00 0.50 0.00 0.00 46.19 43.47 2jf0 s LEU 437 CO 0.19 -0.93 1.41 0.71 -1.32 0.00 0.00 176.35 176.42 2jf0 h THR 438 N 5.05 0.01 -4.13 3.68 1.35 -1.92 -3.45 112.91 113.50 2jf0 h THR 438 Ca -0.43 -1.01 -0.51 0.00 -0.55 0.00 0.00 66.41 63.91 2jf0 h THR 438 Cb 1.20 1.83 0.09 0.00 -1.73 0.00 0.00 68.15 69.54 2jf0 h THR 438 CO 0.94 0.00 0.42 0.26 -0.25 0.00 0.00 175.52 176.89 2jf0 s TRP 439 N -3.26 2.60 0.75 4.73 0.52 -1.26 -4.90 118.94 118.12 2jf0 s TRP 439 Ca 0.04 1.55 -0.11 0.00 0.02 0.00 0.00 56.10 57.59 2jf0 s TRP 439 Cb 0.07 -3.28 0.05 0.00 -1.15 0.00 0.00 33.47 29.15 2jf0 s TRP 439 CO 0.71 -1.73 1.10 -1.25 0.02 0.00 0.00 176.95 175.81 2jf0 s PRO 440 N -3.58 2.34 0.26 4.98 0.04 -1.26 -4.92 135.00 132.85 2jf0 s PRO 440 Ca 0.71 1.23 -0.03 0.00 0.04 0.00 0.00 61.00 62.96 2jf0 s PRO 440 Cb -0.24 -1.90 0.55 0.00 0.04 0.00 0.00 34.50 32.95 2jf0 s PRO 440 CO 0.33 -1.59 1.65 -0.07 0.04 0.00 0.00 177.00 177.37 2jf0 h LEU 441 N -0.89 -0.11 -0.45 -3.56 4.07 -1.93 -2.33 115.31 110.11 2jf0 h LEU 441 Ca -0.44 0.18 0.00 0.00 0.08 0.00 0.00 57.88 57.70 2jf0 h LEU 441 Cb 1.24 0.27 0.00 0.00 1.08 0.00 0.00 40.66 43.25 2jf0 h LEU 441 CO 0.52 -0.13 0.00 -2.67 -1.08 0.00 0.00 178.44 175.08 2jf0 n TRP 442 N -5.24 0.25 0.97 1.13 4.27 -1.26 0.77 117.44 118.33 2jf0 n TRP 442 Ca 0.17 0.12 0.12 0.00 -3.89 0.00 0.00 57.50 54.02 2jf0 n TRP 442 Cb 0.55 -0.70 0.24 0.00 -1.36 0.00 0.00 31.31 30.04 2jf0 n TRP 442 CO 0.00 0.00 0.00 -1.33 -2.29 0.00 0.00 177.69 174.07 2jf0 n MET 443 N -1.75 0.02 0.00 -2.67 2.81 -0.88 -4.96 117.12 109.69 2jf0 n MET 443 Ca -0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2jf0 n MET 443 Cb 0.03 -1.51 0.00 0.00 -0.71 0.00 0.00 33.22 31.03 2jf0 n MET 443 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jf0 n GLY 444 N 1.49 2.66 3.17 3.03 0.00 0.23 -3.30 105.19 112.47 2jf0 n GLY 444 Ca 0.05 0.33 -0.39 0.00 0.00 0.00 0.00 46.02 46.01 2jf0 n GLY 444 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jf0 s VAL 445 N 0.00 3.96 0.66 1.61 1.01 -1.26 -4.77 120.40 121.61 2jf0 s VAL 445 Ca 0.00 -2.22 -0.11 0.00 0.00 0.00 0.00 61.98 59.65 2jf0 s VAL 445 Cb 0.00 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 2jf0 s VAL 445 CO 0.00 -0.80 1.05 -2.84 0.00 0.00 0.00 175.10 172.50 2jf0 s PRO 446 N 0.83 3.28 0.40 2.72 0.02 -1.21 -0.85 135.00 140.19 2jf0 s PRO 446 Ca 0.10 0.79 -0.26 0.00 0.02 0.00 0.00 61.00 61.65 2jf0 s PRO 446 Cb -0.22 -2.04 -0.09 0.00 0.02 0.00 0.00 34.50 32.17 2jf0 s PRO 446 CO -0.03 -0.81 1.19 -3.38 -0.33 0.00 0.00 177.00 173.65 2jf0 s HIS 447 N -3.15 3.04 0.00 6.54 -3.43 -1.25 -2.38 115.29 114.65 2jf0 s HIS 447 Ca 0.56 1.53 0.00 0.00 -0.80 0.00 0.00 55.06 56.35 2jf0 s HIS 447 Cb -0.12 -3.45 0.00 0.00 -1.43 0.00 0.00 32.58 27.58 2jf0 s HIS 447 CO 0.54 -1.45 0.00 0.41 -2.00 0.00 0.00 174.74 172.24 2jf0 n GLY 448 N 0.67 2.59 0.00 -1.38 0.00 -1.26 -4.92 105.19 100.89 2jf0 n GLY 448 Ca 0.04 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2jf0 n GLY 448 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jf0 n TYR 449 N 0.00 0.00 0.01 1.61 4.02 -1.00 -0.61 117.16 121.18 2jf0 n TYR 449 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.90 2jf0 n TYR 449 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.21 2jf0 n TYR 449 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 2jf0 n GLU 450 N -0.50 0.64 -0.11 -0.72 0.00 -1.26 -4.54 120.64 114.14 2jf0 n GLU 450 Ca 0.00 0.11 -0.05 0.00 0.00 0.00 0.00 57.16 57.21 2jf0 n GLU 450 Cb 0.00 -1.71 0.02 0.00 0.00 0.00 0.00 31.44 29.75 2jf0 n GLU 450 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 2jf0 h ILE 451 N 0.00 0.78 -0.70 3.84 2.04 -1.23 0.09 117.51 122.33 2jf0 h ILE 451 Ca -0.19 -0.06 0.14 0.00 1.00 0.00 0.00 64.86 65.75 2jf0 h ILE 451 Cb 1.57 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 38.21 2jf0 h ILE 451 CO 0.03 0.03 0.47 1.05 0.00 0.00 0.00 178.15 179.73 2jf0 h GLU 452 N 0.16 0.34 0.00 2.37 4.11 -1.77 0.12 114.58 119.92 2jf0 h GLU 452 Ca 0.18 -0.02 -0.05 0.00 0.07 0.00 0.00 59.36 59.53 2jf0 h GLU 452 Cb 0.22 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2jf0 h GLU 452 CO -0.25 0.23 -0.21 0.74 0.07 0.00 0.00 179.01 179.59 2jf0 h PHE 453 N 0.35 0.21 -0.95 2.06 0.04 -1.30 -0.14 116.94 117.21 2jf0 h PHE 453 Ca 0.34 -0.11 0.05 0.00 2.80 0.00 0.00 57.97 61.05 2jf0 h PHE 453 Cb 0.83 -0.02 -0.06 0.00 2.20 0.00 0.00 35.95 38.89 2jf0 h PHE 453 CO -0.00 0.92 0.61 0.82 -0.60 0.00 0.00 178.31 180.06 2jf0 h ILE 454 N -0.56 1.11 0.00 -0.55 1.08 -0.69 -2.27 117.51 115.62 2jf0 h ILE 454 Ca -0.03 -0.39 0.00 0.00 -0.39 0.00 0.00 64.86 64.05 2jf0 h ILE 454 Cb 0.97 -0.14 0.00 0.00 -3.07 0.00 0.00 36.82 34.59 2jf0 h ILE 454 CO 0.04 0.21 0.00 -0.26 -0.69 0.00 0.00 178.15 177.45 2jf0 h PHE 455 N 1.14 0.00 0.00 1.37 -1.00 -0.82 -3.39 116.94 114.24 2jf0 h PHE 455 Ca 0.40 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.18 2jf0 h PHE 455 Cb 0.10 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.66 2jf0 h PHE 455 CO -0.01 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.10 2jf0 n GLY 456 N 0.78 1.05 0.37 -1.45 0.00 -0.86 -3.80 105.19 101.28 2jf0 n GLY 456 Ca 0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.13 2jf0 n GLY 456 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jf0 h LEU 457 N 0.00 0.92 -0.98 0.99 4.07 -1.27 0.23 115.31 119.28 2jf0 h LEU 457 Ca 0.00 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.00 2jf0 h LEU 457 Cb 0.00 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 41.60 2jf0 h LEU 457 CO 0.00 0.50 0.12 -2.65 -1.08 0.00 0.00 178.44 175.33 2jf0 n PRO 458 N -4.60 0.10 0.14 1.13 -0.02 -1.26 -0.99 135.00 129.50 2jf0 n PRO 458 Ca 0.18 0.57 0.13 0.00 -2.02 0.00 0.00 63.50 62.37 2jf0 n PRO 458 Cb 0.34 -1.93 0.46 0.00 -0.02 0.00 0.00 33.50 32.35 2jf0 n PRO 458 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2jf0 h LEU 459 N 0.00 0.00 -8.55 2.45 4.07 -0.84 -3.40 115.31 109.04 2jf0 h LEU 459 Ca 0.00 0.00 -0.61 0.00 0.08 0.00 0.00 57.88 57.35 2jf0 h LEU 459 Cb 0.24 0.00 -0.12 0.00 1.08 0.00 0.00 40.66 41.86 2jf0 h LEU 459 CO 0.00 0.00 0.54 -0.62 -1.08 0.00 0.00 178.44 177.28 2jf0 s ASP 460 N -4.62 6.38 0.48 -0.43 2.15 -0.16 -4.74 116.67 115.74 2jf0 s ASP 460 Ca 0.06 -0.22 0.24 0.00 0.43 0.00 0.00 52.55 53.07 2jf0 s ASP 460 Cb 0.10 -2.43 1.24 0.00 -0.30 0.00 0.00 42.92 41.53 2jf0 s ASP 460 CO 0.50 -1.14 1.99 -0.65 -0.17 0.00 0.00 175.17 175.69 2jf0 h PRO 461 N 9.21 0.00 0.00 4.34 0.11 -1.85 0.34 132.00 144.16 2jf0 h PRO 461 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2jf0 h PRO 461 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2jf0 h PRO 461 CO 1.06 0.17 0.00 -1.13 -0.21 0.00 0.00 178.00 177.89 2jf0 n SER 462 N -3.67 0.28 -0.11 -2.05 3.41 -1.26 -2.63 113.62 107.58 2jf0 n SER 462 Ca -0.01 0.61 0.13 0.00 -0.26 0.00 0.00 58.87 59.33 2jf0 n SER 462 Cb 0.30 -0.65 0.34 0.00 -0.26 0.00 0.00 64.21 63.93 2jf0 n SER 462 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jf0 n LEU 463 N -1.86 0.71 -0.76 1.04 4.77 0.11 -4.95 117.00 116.07 2jf0 n LEU 463 Ca 0.00 -0.10 -0.09 0.00 -0.03 0.00 0.00 56.01 55.80 2jf0 n LEU 463 Cb 0.07 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 2jf0 n LEU 463 CO 0.08 0.15 -0.09 0.59 -1.33 0.00 0.00 177.39 176.79 2jf0 n ASN 464 N -1.10 -3.71 -4.77 -1.43 3.02 -1.08 -4.98 115.26 101.21 2jf0 n ASN 464 Ca 0.09 0.14 -0.38 0.00 -0.03 0.00 0.00 54.58 54.40 2jf0 n ASN 464 Cb 0.34 -2.30 -0.04 0.00 -0.61 0.00 0.00 39.78 37.18 2jf0 n ASN 464 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2jf0 s TYR 465 N -2.35 3.31 1.01 3.10 2.02 -1.26 -4.75 117.35 118.42 2jf0 s TYR 465 Ca 0.00 1.64 -0.11 0.00 -0.37 0.00 0.00 57.07 58.23 2jf0 s TYR 465 Cb 0.00 -3.24 0.20 0.00 -0.40 0.00 0.00 41.96 38.52 2jf0 s TYR 465 CO 0.00 -0.78 1.10 0.95 -1.57 0.00 0.00 175.55 175.25 2jf0 s THR 466 N -1.45 2.03 0.33 -0.71 -4.23 -1.26 -4.84 115.64 105.50 2jf0 s THR 466 Ca 0.54 0.01 0.09 0.00 -1.18 0.00 0.00 61.69 61.15 2jf0 s THR 466 Cb -0.27 -2.02 0.06 0.00 1.34 0.00 0.00 72.50 71.61 2jf0 s THR 466 CO 0.34 -0.01 1.76 0.71 -0.54 0.00 0.00 174.62 176.88 2jf0 h THR 467 N -2.19 1.29 -0.79 3.99 1.35 -1.96 -2.52 112.91 112.09 2jf0 h THR 467 Ca -0.50 -1.40 0.01 0.00 -0.55 0.00 0.00 66.41 63.97 2jf0 h THR 467 Cb 1.29 1.66 -0.04 0.00 -1.73 0.00 0.00 68.15 69.33 2jf0 h THR 467 CO 0.44 0.41 0.52 -0.33 -0.25 0.00 0.00 175.52 176.31 2jf0 h GLU 468 N 0.13 1.04 -0.40 4.72 3.07 -1.99 -1.37 114.58 119.77 2jf0 h GLU 468 Ca 0.01 -0.07 -0.04 0.00 -0.50 0.00 0.00 59.36 58.77 2jf0 h GLU 468 Cb 0.73 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 28.39 2jf0 h GLU 468 CO 0.06 0.69 0.10 0.93 -1.40 0.00 0.00 179.01 179.39 2jf0 h GLU 469 N 1.07 0.59 -0.33 2.33 5.08 -1.81 0.18 114.58 121.69 2jf0 h GLU 469 Ca 0.29 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.48 2jf0 h GLU 469 Cb -0.12 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 2jf0 h GLU 469 CO -0.06 0.54 -0.07 -0.09 -1.00 0.00 0.00 179.01 178.33 2jf0 h ARG 470 N 0.58 0.63 -0.71 2.33 2.43 -1.01 0.43 114.38 119.05 2jf0 h ARG 470 Ca 0.14 -0.24 -0.03 0.00 -0.81 0.00 0.00 59.98 59.04 2jf0 h ARG 470 Cb 0.22 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.70 2jf0 h ARG 470 CO -0.00 0.80 0.32 0.82 -1.51 0.00 0.00 179.97 180.39 2jf0 h ILE 471 N 0.41 1.24 -0.03 1.20 2.04 -0.84 -0.60 117.51 120.93 2jf0 h ILE 471 Ca 0.08 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.23 2jf0 h ILE 471 Cb 0.56 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 37.03 2jf0 h ILE 471 CO 0.03 0.29 0.01 0.15 0.00 0.00 0.00 178.15 178.63 2jf0 h PHE 472 N 1.01 0.04 -0.72 1.37 3.57 -0.42 -0.46 116.94 121.32 2jf0 h PHE 472 Ca 0.24 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.79 2jf0 h PHE 472 Cb 0.16 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.84 2jf0 h PHE 472 CO 0.01 0.26 0.47 0.00 -2.23 0.00 0.00 178.31 176.82 2jf0 h ALA 473 N 0.78 1.64 -0.75 2.41 0.00 0.01 0.42 119.26 123.78 2jf0 h ALA 473 Ca 0.01 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2jf0 h ALA 473 Cb 0.23 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2jf0 h ALA 473 CO 0.00 0.26 0.26 1.96 0.00 0.00 0.00 179.25 181.73 2jf0 h GLN 474 N 0.81 1.14 -0.11 0.00 4.20 -0.71 0.16 115.11 120.60 2jf0 h GLN 474 Ca 0.30 -0.23 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 2jf0 h GLN 474 Cb 0.16 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 2jf0 h GLN 474 CO -0.09 0.95 0.05 0.00 -0.67 0.00 0.00 178.83 179.06 2jf0 h ARG 475 N 1.10 0.16 -0.84 1.46 3.08 0.67 -1.31 114.38 118.69 2jf0 h ARG 475 Ca 0.24 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.24 2jf0 h ARG 475 Cb 0.27 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 2jf0 h ARG 475 CO -0.01 0.24 0.42 -0.07 -1.07 0.00 0.00 179.97 179.49 2jf0 h LEU 476 N 0.03 1.09 -1.11 3.04 3.38 0.13 0.85 115.31 122.72 2jf0 h LEU 476 Ca 0.04 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 2jf0 h LEU 476 Cb 0.14 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2jf0 h LEU 476 CO -0.00 0.90 -0.33 0.24 0.09 0.00 0.00 178.44 179.34 2jf0 h MET 477 N 1.19 0.20 -0.30 1.13 2.86 -0.56 -0.61 114.93 118.83 2jf0 h MET 477 Ca 0.29 -0.08 -0.10 0.00 -2.06 0.00 0.00 59.70 57.75 2jf0 h MET 477 Cb 0.09 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 2jf0 h MET 477 CO -0.04 0.51 -0.22 0.87 1.06 0.00 0.00 176.91 179.10 2jf0 h LYS 478 N 0.17 0.68 0.25 1.72 1.79 -0.03 -0.53 116.57 120.63 2jf0 h LYS 478 Ca 0.02 -0.33 -0.01 0.00 -2.18 0.00 0.00 60.65 58.15 2jf0 h LYS 478 Cb 0.68 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 2jf0 h LYS 478 CO 0.05 0.93 -0.12 1.88 -1.08 0.00 0.00 179.45 181.11 2jf0 h TYR 479 N 0.43 -0.31 -0.48 -1.35 0.05 -0.45 0.73 116.97 115.60 2jf0 h TYR 479 Ca 0.06 -0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.84 2jf0 h TYR 479 Cb 0.77 0.10 -0.03 0.00 1.01 0.00 0.00 36.73 38.58 2jf0 h TYR 479 CO 0.07 -0.11 0.30 -1.49 -1.05 0.00 0.00 178.16 175.88 2jf0 h TRP 480 N -0.45 0.57 0.09 4.88 6.55 -1.14 0.34 115.95 126.80 2jf0 h TRP 480 Ca -0.03 0.02 -0.26 0.00 0.95 0.00 0.00 58.89 59.56 2jf0 h TRP 480 Cb 0.34 -0.19 0.01 0.00 -0.86 0.00 0.00 29.16 28.46 2jf0 h TRP 480 CO -0.03 0.35 -1.15 1.79 -1.05 0.00 0.00 178.44 178.35 2jf0 h THR 481 N 0.62 1.42 -0.38 1.49 1.35 -0.97 0.40 112.91 116.84 2jf0 h THR 481 Ca 0.18 -2.73 0.03 0.00 -0.55 0.00 0.00 66.41 63.34 2jf0 h THR 481 Cb -0.04 2.73 -0.03 0.00 -1.73 0.00 0.00 68.15 69.08 2jf0 h THR 481 CO -0.06 0.81 0.18 0.78 -0.25 0.00 0.00 175.52 176.98 2jf0 h ASN 482 N 0.16 0.26 -0.55 5.36 2.35 0.66 0.66 115.58 124.49 2jf0 h ASN 482 Ca -0.13 0.02 0.08 0.00 -0.55 0.00 0.00 56.30 55.72 2jf0 h ASN 482 Cb 1.83 -0.03 -0.06 0.00 0.05 0.00 0.00 38.32 40.11 2jf0 h ASN 482 CO 0.20 0.19 0.20 0.15 -1.65 0.00 0.00 177.43 176.52 2jf0 h PHE 483 N 0.38 0.35 -0.92 1.19 3.57 -0.15 0.22 116.94 121.58 2jf0 h PHE 483 Ca 0.16 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.73 2jf0 h PHE 483 Cb 0.07 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 38.68 2jf0 h PHE 483 CO -0.10 0.10 0.59 0.00 -2.23 0.00 0.00 178.31 176.67 2jf0 h ALA 484 N 1.37 1.23 -0.16 2.41 0.00 0.14 0.34 119.26 124.60 2jf0 h ALA 484 Ca 0.27 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.93 2jf0 h ALA 484 Cb 0.30 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.81 2jf0 h ALA 484 CO -0.27 0.41 -0.77 0.00 0.00 0.00 0.00 179.25 178.63 2jf0 h ARG 485 N 1.11 0.80 0.00 0.00 3.08 0.15 -3.40 114.38 116.12 2jf0 h ARG 485 Ca 0.38 -0.65 0.00 0.00 0.07 0.00 0.00 59.98 59.78 2jf0 h ARG 485 Cb 0.07 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2jf0 h ARG 485 CO -0.14 1.25 -0.66 0.25 -1.07 0.00 0.00 179.97 179.60 2jf0 n THR 486 N -3.95 0.00 -0.49 2.04 -2.24 0.65 -4.99 114.28 105.30 2jf0 n THR 486 Ca -0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 2jf0 n THR 486 Cb 0.74 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 2jf0 n THR 486 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jf0 n GLY 487 N 1.87 0.75 2.70 3.38 0.00 0.12 -5.02 105.19 108.99 2jf0 n GLY 487 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2jf0 n GLY 487 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jf0 s ASP 488 N -2.13 1.84 0.00 1.61 -1.08 -1.25 -4.81 116.67 110.85 2jf0 s ASP 488 Ca 0.00 -0.28 0.15 0.00 -0.52 0.00 0.00 52.55 51.91 2jf0 s ASP 488 Cb 0.00 -0.33 0.75 0.00 -1.46 0.00 0.00 42.92 41.88 2jf0 s ASP 488 CO 0.00 -0.26 1.43 -0.81 0.52 0.00 0.00 175.17 176.05 2jf0 n PRO 489 N 5.21 0.19 -2.73 4.34 -0.04 -1.26 -2.79 135.00 137.92 2jf0 n PRO 489 Ca -0.06 0.16 -0.39 0.00 -0.04 0.00 0.00 63.50 63.17 2jf0 n PRO 489 Cb 0.49 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.39 2jf0 n PRO 489 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2jf0 s ASN 490 N -2.63 7.46 -0.30 3.54 0.01 -1.26 -4.18 114.94 117.58 2jf0 s ASN 490 Ca 0.13 1.94 -0.29 0.00 -0.71 0.00 0.00 52.86 53.94 2jf0 s ASN 490 Cb 0.10 -2.60 -0.00 0.00 0.41 0.00 0.00 41.25 39.16 2jf0 s ASN 490 CO 0.24 0.02 1.37 -0.62 -1.51 0.00 0.00 177.10 176.60 2jf0 s ASP 491 N -1.33 6.58 0.00 -1.22 -1.08 -1.26 -4.86 116.67 113.50 2jf0 s ASP 491 Ca 0.45 1.24 0.00 0.00 -0.52 0.00 0.00 52.55 53.72 2jf0 s ASP 491 Cb -0.24 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.68 2jf0 s ASP 491 CO 0.30 -1.16 0.52 -0.81 0.52 0.00 0.00 175.17 174.54 2jf0 n PRO 492 N 7.47 0.60 -0.11 4.34 -0.04 -1.26 -2.23 135.00 143.78 2jf0 n PRO 492 Ca 0.16 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.46 2jf0 n PRO 492 Cb 0.46 -1.08 -0.09 0.00 -0.04 0.00 0.00 33.50 32.75 2jf0 n PRO 492 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2jf0 n ARG 493 N -0.31 0.51 -2.28 0.54 3.00 -1.26 -5.06 116.66 111.79 2jf0 n ARG 493 Ca 0.00 0.14 -0.26 0.00 -0.01 0.00 0.00 57.85 57.72 2jf0 n ARG 493 Cb 0.04 -1.39 0.10 0.00 0.00 0.00 0.00 32.46 31.21 2jf0 n ARG 493 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2jf0 s ASP 494 N -6.19 4.36 0.00 0.55 -1.08 -0.95 -5.13 116.67 108.24 2jf0 s ASP 494 Ca -0.29 0.15 -0.16 0.00 -0.52 0.00 0.00 52.55 51.74 2jf0 s ASP 494 Cb 0.08 -0.61 0.03 0.00 -1.46 0.00 0.00 42.92 40.95 2jf0 s ASP 494 CO 0.46 -1.88 0.34 -0.44 0.52 0.00 0.00 175.17 174.18 2jf0 s SER 495 N -4.65 -0.22 -1.49 -0.34 0.01 -1.26 -4.90 113.70 100.85 2jf0 s SER 495 Ca 0.65 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.95 2jf0 s SER 495 Cb -0.08 0.35 0.00 0.00 0.21 0.00 0.00 66.02 66.50 2jf0 s SER 495 CO 0.46 -0.53 0.00 0.29 0.41 0.00 0.00 173.24 173.87 2jf0 n LYS 496 N 0.98 -1.64 0.00 12.44 4.76 -1.26 -4.87 118.16 128.58 2jf0 n LYS 496 Ca -0.20 0.84 0.14 0.00 -2.87 0.00 0.00 58.31 56.22 2jf0 n LYS 496 Cb 0.57 -5.27 0.65 0.00 -1.84 0.00 0.00 35.03 29.14 2jf0 n LYS 496 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2jf0 n SER 497 N -1.23 0.00 -3.26 4.39 7.64 -1.26 -4.77 113.62 115.13 2jf0 n SER 497 Ca -0.17 0.37 -0.22 0.00 1.01 0.00 0.00 58.87 59.87 2jf0 n SER 497 Cb 0.56 -0.46 0.19 0.00 -1.01 0.00 0.00 64.21 63.49 2jf0 n SER 497 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2jf0 n PRO 498 N -1.46 -2.69 -2.78 1.43 -0.02 -1.26 -4.11 135.00 124.11 2jf0 n PRO 498 Ca 0.08 -1.26 -0.36 0.00 -2.02 0.00 0.00 63.50 59.95 2jf0 n PRO 498 Cb 0.32 -1.21 -0.06 0.00 -0.02 0.00 0.00 33.50 32.53 2jf0 n PRO 498 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2jf0 s GLN 499 N -4.79 4.44 -0.52 -0.52 -1.52 -1.26 -4.86 119.66 110.63 2jf0 s GLN 499 Ca 0.52 1.27 -0.29 0.00 -1.95 0.00 0.00 55.36 54.91 2jf0 s GLN 499 Cb -0.05 -2.57 0.03 0.00 -0.22 0.00 0.00 33.01 30.19 2jf0 s GLN 499 CO 0.40 0.15 1.17 -0.46 -0.25 0.00 0.00 175.29 176.30 2jf0 s TRP 500 N -1.81 2.72 0.44 0.91 -0.11 -1.26 -4.88 118.94 114.94 2jf0 s TRP 500 Ca 0.55 0.58 -0.14 0.00 1.22 0.00 0.00 56.10 58.31 2jf0 s TRP 500 Cb -0.16 -4.48 -0.07 0.00 -1.50 0.00 0.00 33.47 27.26 2jf0 s TRP 500 CO 0.20 -1.42 0.86 -1.25 -4.62 0.00 0.00 176.95 170.72 2jf0 s PRO 501 N 4.69 3.88 0.44 5.86 0.04 -1.26 -4.84 135.00 143.81 2jf0 s PRO 501 Ca 0.46 0.70 -0.26 0.00 0.04 0.00 0.00 61.00 61.95 2jf0 s PRO 501 Cb -0.07 -2.29 -0.09 0.00 0.04 0.00 0.00 34.50 32.10 2jf0 s PRO 501 CO 0.29 -0.11 1.42 -2.14 0.04 0.00 0.00 177.00 176.50 2jf0 s PRO 502 N -3.83 3.75 0.16 0.56 0.02 -1.26 -4.65 135.00 129.75 2jf0 s PRO 502 Ca 0.55 2.41 -0.30 0.00 0.02 0.00 0.00 61.00 63.67 2jf0 s PRO 502 Cb -0.10 -2.69 -0.08 0.00 0.02 0.00 0.00 34.50 31.65 2jf0 s PRO 502 CO 0.29 -0.76 1.21 -0.47 -0.33 0.00 0.00 177.00 176.94 2jf0 s TYR 503 N -1.20 3.42 0.10 6.54 6.14 0.63 -4.47 117.35 128.50 2jf0 s TYR 503 Ca 0.60 1.37 0.03 0.00 0.64 0.00 0.00 57.07 59.70 2jf0 s TYR 503 Cb -0.43 -3.44 -0.04 0.00 0.42 0.00 0.00 41.96 38.46 2jf0 s TYR 503 CO 0.56 -1.30 -0.08 0.95 0.64 0.00 0.00 175.55 176.33 2jf0 s THR 504 N 0.25 0.81 0.30 4.34 -4.23 -1.26 -4.23 115.64 111.61 2jf0 s THR 504 Ca 0.55 -1.86 0.06 0.00 -1.18 0.00 0.00 61.69 59.26 2jf0 s THR 504 Cb -0.32 -1.60 0.05 0.00 1.34 0.00 0.00 72.50 71.97 2jf0 s THR 504 CO 0.35 -0.77 1.73 0.71 -0.54 0.00 0.00 174.62 176.09 2jf0 h THR 505 N 3.11 1.29 0.19 3.99 1.35 -1.90 0.14 112.91 121.08 2jf0 h THR 505 Ca -0.36 -1.40 -0.01 0.00 -0.55 0.00 0.00 66.41 64.09 2jf0 h THR 505 Cb 1.18 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 2jf0 h THR 505 CO 0.61 0.42 -0.09 0.00 -0.25 0.00 0.00 175.52 176.21 2jf0 h ALA 506 N 1.40 -0.85 0.04 6.62 0.00 -1.99 -3.38 119.26 121.10 2jf0 h ALA 506 Ca 0.03 -0.06 -0.26 0.00 0.00 0.00 0.00 54.91 54.62 2jf0 h ALA 506 Cb 0.75 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.65 2jf0 h ALA 506 CO 0.06 -0.83 -1.06 0.00 0.00 0.00 0.00 179.25 177.41 2jf0 h ALA 507 N -1.83 0.19 -4.32 0.00 0.00 -1.96 -3.48 119.26 107.86 2jf0 h ALA 507 Ca -0.03 -0.73 -0.41 0.00 0.00 0.00 0.00 54.91 53.74 2jf0 h ALA 507 Cb 0.20 0.04 0.05 0.00 0.00 0.00 0.00 17.79 18.08 2jf0 h ALA 507 CO 0.04 0.76 -0.60 1.04 0.00 0.00 0.00 179.25 180.49 2jf0 n GLN 508 N -3.77 -4.58 -2.40 0.00 6.02 0.49 -4.34 117.38 108.79 2jf0 n GLN 508 Ca -0.10 0.93 -0.41 0.00 -0.01 0.00 0.00 57.00 57.41 2jf0 n GLN 508 Cb 0.90 -5.78 -0.04 0.00 1.02 0.00 0.00 30.24 26.34 2jf0 n GLN 508 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2jf0 s GLN 509 N -5.64 4.53 0.06 -1.09 -0.21 -1.25 -1.11 119.66 114.95 2jf0 s GLN 509 Ca 0.27 1.86 -0.10 0.00 0.02 0.00 0.00 55.36 57.41 2jf0 s GLN 509 Cb -0.12 -3.22 0.01 0.00 1.00 0.00 0.00 33.01 30.67 2jf0 s GLN 509 CO 0.34 -0.01 0.22 1.52 -2.12 0.00 0.00 175.29 175.24 2jf0 s TYR 510 N -0.38 0.05 0.17 0.91 1.13 0.26 -3.51 117.35 115.98 2jf0 s TYR 510 Ca 0.50 -0.35 0.06 0.00 -1.41 0.00 0.00 57.07 55.88 2jf0 s TYR 510 Cb -0.32 -0.01 -0.04 0.00 -1.10 0.00 0.00 41.96 40.49 2jf0 s TYR 510 CO 0.38 -0.50 0.08 0.14 -2.51 0.00 0.00 175.55 173.14 2jf0 s VAL 511 N -3.13 4.17 -0.17 -3.49 -7.23 -0.53 0.84 120.40 110.86 2jf0 s VAL 511 Ca -0.01 -1.23 -0.21 0.00 -1.81 0.00 0.00 61.98 58.72 2jf0 s VAL 511 Cb 0.01 -3.12 -0.03 0.00 0.56 0.00 0.00 36.38 33.80 2jf0 s VAL 511 CO -0.07 -0.12 0.62 -0.94 -0.31 0.00 0.00 175.10 174.28 2jf0 s SER 512 N -3.07 6.72 -0.47 4.85 1.04 -0.59 -0.88 113.70 121.30 2jf0 s SER 512 Ca 0.30 0.87 -0.19 0.00 0.48 0.00 0.00 55.95 57.41 2jf0 s SER 512 Cb -0.10 -2.35 0.04 0.00 0.10 0.00 0.00 66.02 63.72 2jf0 s SER 512 CO 0.21 -0.22 0.57 -0.76 0.98 0.00 0.00 173.24 174.03 2jf0 s LEU 513 N 1.63 4.90 0.00 2.42 1.43 0.19 -4.02 118.68 125.24 2jf0 s LEU 513 Ca 0.29 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 2jf0 s LEU 513 Cb -0.16 -2.47 0.00 0.00 0.03 0.00 0.00 46.19 43.59 2jf0 s LEU 513 CO 0.11 -0.79 0.00 -0.46 0.23 0.00 0.00 176.35 175.44 2jf0 n ASN 514 N 6.01 0.00 0.02 2.29 0.23 -1.26 0.16 115.26 122.71 2jf0 n ASN 514 Ca -0.06 -0.79 -0.09 0.00 -0.53 0.00 0.00 54.58 53.10 2jf0 n ASN 514 Cb 0.46 0.00 0.05 0.00 -2.08 0.00 0.00 39.78 38.21 2jf0 n ASN 514 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 2jf0 h LEU 515 N 0.00 0.56-10.12 -4.53 3.38 -1.94 -3.42 115.31 99.24 2jf0 h LEU 515 Ca 0.00 -0.32 -0.54 0.00 0.09 0.00 0.00 57.88 57.11 2jf0 h LEU 515 Cb 0.00 -0.16 0.13 0.00 0.09 0.00 0.00 40.66 40.72 2jf0 h LEU 515 CO 0.00 1.03 0.47 -0.54 0.09 0.00 0.00 178.44 179.49 2jf0 s LYS 516 N -3.87 2.72 0.97 1.13 1.02 -1.26 -4.99 119.74 115.46 2jf0 s LYS 516 Ca -0.07 1.87 -0.12 0.00 0.02 0.00 0.00 55.97 57.67 2jf0 s LYS 516 Cb 0.11 -1.89 0.10 0.00 -0.52 0.00 0.00 37.83 35.63 2jf0 s LYS 516 CO 0.84 -1.42 0.64 -2.30 -0.92 0.00 0.00 175.35 172.19 2jf0 n PRO 517 N -1.88 -0.63 -1.57 -1.68 -0.02 -1.26 -4.85 135.00 123.12 2jf0 n PRO 517 Ca 0.14 -0.14 -0.51 0.00 -2.02 0.00 0.00 63.50 60.98 2jf0 n PRO 517 Cb 0.49 -2.02 -0.05 0.00 -0.02 0.00 0.00 33.50 31.90 2jf0 n PRO 517 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2jf0 n LEU 518 N -2.51 1.35 -4.19 2.45 4.77 -1.26 -4.90 117.00 112.71 2jf0 n LEU 518 Ca 0.07 1.14 -0.33 0.00 -0.03 0.00 0.00 56.01 56.86 2jf0 n LEU 518 Cb 0.54 -1.18 -0.16 0.00 -2.33 0.00 0.00 43.42 40.29 2jf0 n LEU 518 CO 0.51 -1.33 -0.52 -0.70 -1.33 0.00 0.00 177.39 174.02 2jf0 s GLU 519 N -0.11 3.08 0.04 3.23 2.12 -1.26 -4.22 118.70 121.58 2jf0 s GLU 519 Ca 0.78 -0.81 -0.30 0.00 0.36 0.00 0.00 54.97 54.99 2jf0 s GLU 519 Cb -0.92 -2.53 -0.05 0.00 0.26 0.00 0.00 34.13 30.89 2jf0 s GLU 519 CO 0.51 -0.05 1.17 0.08 -0.54 0.00 0.00 175.26 176.43 2jf0 s VAL 520 N 0.92 4.17 0.32 3.70 1.01 -1.26 -1.54 120.40 127.72 2jf0 s VAL 520 Ca -0.04 1.56 0.08 0.00 0.00 0.00 0.00 61.98 63.57 2jf0 s VAL 520 Cb -0.15 -4.00 -0.06 0.00 0.00 0.00 0.00 36.38 32.17 2jf0 s VAL 520 CO -0.03 0.11 -0.06 -0.13 0.00 0.00 0.00 175.10 174.98 2jf0 s ARG 521 N 1.16 1.70 -0.08 2.72 0.52 0.25 -4.94 118.95 120.27 2jf0 s ARG 521 Ca 0.58 -1.88 0.02 0.00 -0.52 0.00 0.00 55.73 53.92 2jf0 s ARG 521 Cb -0.28 -1.41 0.02 0.00 0.52 0.00 0.00 34.95 33.80 2jf0 s ARG 521 CO 0.28 0.06 -0.12 1.03 0.02 0.00 0.00 175.30 176.57 2jf0 s ARG 522 N -3.69 1.81 0.00 3.54 0.52 -1.26 -0.58 118.95 119.30 2jf0 s ARG 522 Ca 0.32 -0.43 0.00 0.00 -0.52 0.00 0.00 55.73 55.10 2jf0 s ARG 522 Cb 0.04 -1.56 0.00 0.00 0.52 0.00 0.00 34.95 33.95 2jf0 s ARG 522 CO 0.15 -0.04 0.00 0.41 0.02 0.00 0.00 175.30 175.83 2jf0 n GLY 523 N 4.10 -0.75 3.48 -3.53 0.00 -0.27 -4.92 105.19 103.30 2jf0 n GLY 523 Ca -0.20 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 2jf0 n GLY 523 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jf0 s LEU 524 N 0.00 4.62 -1.56 0.99 2.96 -1.26 -4.07 118.68 120.35 2jf0 s LEU 524 Ca 0.00 -1.77 -0.07 0.00 -0.22 0.00 0.00 54.13 52.07 2jf0 s LEU 524 Cb 0.00 -2.44 0.06 0.00 0.50 0.00 0.00 46.19 44.31 2jf0 s LEU 524 CO 0.00 -1.21 0.43 0.54 -1.32 0.00 0.00 176.35 174.78 2jf0 n ARG 525 N 7.22 -2.45 -0.20 1.98 5.12 -1.26 -4.70 116.66 122.37 2jf0 n ARG 525 Ca 0.22 0.29 0.01 0.00 -1.93 0.00 0.00 57.85 56.45 2jf0 n ARG 525 Cb 0.49 -4.46 0.12 0.00 -1.16 0.00 0.00 32.46 27.45 2jf0 n ARG 525 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2jf0 h ALA 526 N 0.85 0.77 -0.16 7.54 0.00 -1.92 0.82 119.26 127.16 2jf0 h ALA 526 Ca -0.62 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 2jf0 h ALA 526 Cb 1.38 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 2jf0 h ALA 526 CO 0.71 -0.26 0.02 1.96 0.00 0.00 0.00 179.25 181.68 2jf0 h GLN 527 N 0.32 0.26 -0.14 0.00 1.08 -1.94 -0.04 115.11 114.65 2jf0 h GLN 527 Ca 0.32 -0.07 -0.17 0.00 -1.45 0.00 0.00 58.65 57.28 2jf0 h GLN 527 Cb 0.46 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 2jf0 h GLN 527 CO -0.37 0.45 -0.61 1.15 -0.95 0.00 0.00 178.83 178.50 2jf0 h THR 528 N 0.03 1.34 -0.02 -0.54 2.02 -1.73 -2.40 112.91 111.62 2jf0 h THR 528 Ca 0.05 -1.91 -0.13 0.00 0.77 0.00 0.00 66.41 65.19 2jf0 h THR 528 Cb 0.32 1.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.61 2jf0 h THR 528 CO 0.00 0.58 -0.60 0.00 0.37 0.00 0.00 175.52 175.88 2jf0 h ALA 530 N 1.35 1.33 -0.10 0.00 0.00 -0.77 1.44 119.26 122.50 2jf0 h ALA 530 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2jf0 h ALA 530 Cb 1.07 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2jf0 h ALA 530 CO 0.08 0.59 0.06 0.35 0.00 0.00 0.00 179.25 180.33 2jf0 h PHE 531 N 1.15 0.13 -0.06 0.00 3.57 -0.87 0.21 116.94 121.08 2jf0 h PHE 531 Ca 0.30 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.64 2jf0 h PHE 531 Cb -0.07 -0.04 0.01 0.00 2.79 0.00 0.00 35.95 38.64 2jf0 h PHE 531 CO 0.00 0.11 -0.62 -1.49 -2.23 0.00 0.00 178.31 174.08 2jf0 h TRP 532 N 0.12 0.74 0.00 0.41 4.06 -0.52 0.25 115.95 121.00 2jf0 h TRP 532 Ca 0.04 -0.36 -0.18 0.00 2.06 0.00 0.00 58.89 60.44 2jf0 h TRP 532 Cb 0.01 -0.10 -0.03 0.00 -1.00 0.00 0.00 29.16 28.04 2jf0 h TRP 532 CO -0.06 1.16 -1.34 -0.91 -3.56 0.00 0.00 178.44 173.73 2jf0 h ASN 533 N 0.10 0.00 0.00 -3.49 2.35 0.19 -3.38 115.58 111.36 2jf0 h ASN 533 Ca -0.06 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.44 2jf0 h ASN 533 Cb 1.29 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.62 2jf0 h ASN 533 CO 0.13 0.66 -1.91 0.54 -1.65 0.00 0.00 177.43 175.20 2jf0 n ARG 534 N -2.98 0.38 -0.10 0.81 1.74 0.66 -4.71 116.66 112.47 2jf0 n ARG 534 Ca -0.09 0.11 -0.19 0.00 -0.77 0.00 0.00 57.85 56.92 2jf0 n ARG 534 Cb 0.87 -1.24 -0.09 0.00 -1.02 0.00 0.00 32.46 30.98 2jf0 n ARG 534 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2jf0 n PHE 535 N -3.24 0.94 -0.24 -1.55 7.35 -0.74 -3.96 117.46 116.03 2jf0 n PHE 535 Ca -0.30 0.41 -0.03 0.00 -0.76 0.00 0.00 57.45 56.77 2jf0 n PHE 535 Cb 0.77 -1.02 0.03 0.00 0.35 0.00 0.00 39.48 39.61 2jf0 n PHE 535 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 2jf0 h LEU 536 N -1.00 -1.10 -0.77 -2.13 7.12 -0.69 -0.00 115.31 116.74 2jf0 h LEU 536 Ca -0.29 0.24 0.18 0.00 0.13 0.00 0.00 57.88 58.13 2jf0 h LEU 536 Cb 1.16 0.58 -0.12 0.00 -0.53 0.00 0.00 40.66 41.74 2jf0 h LEU 536 CO -0.18 -0.29 0.14 -0.65 -0.13 0.00 0.00 178.44 177.33 2jf0 h PRO 537 N -0.11 0.20 -0.41 5.25 0.11 -1.75 0.11 132.00 135.40 2jf0 h PRO 537 Ca 0.27 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.36 2jf0 h PRO 537 Cb 0.56 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.60 2jf0 h PRO 537 CO -0.74 0.13 0.23 0.87 -0.21 0.00 0.00 178.00 178.29 2jf0 h LYS 538 N 0.20 0.56 -0.54 1.05 1.57 -1.19 0.26 116.57 118.49 2jf0 h LYS 538 Ca 0.45 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.16 2jf0 h LYS 538 Cb 0.81 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.98 2jf0 h LYS 538 CO -0.59 0.44 0.30 1.25 -0.57 0.00 0.00 179.45 180.28 2jf0 h LEU 539 N 0.53 0.64 0.11 2.94 5.85 0.37 -2.80 115.31 122.95 2jf0 h LEU 539 Ca 0.14 -0.04 -0.16 0.00 0.84 0.00 0.00 57.88 58.66 2jf0 h LEU 539 Cb 0.03 -0.16 0.02 0.00 0.37 0.00 0.00 40.66 40.92 2jf0 h LEU 539 CO -0.02 0.51 -0.69 -0.07 -0.34 0.00 0.00 178.44 177.83 2jf0 h LEU 540 N 0.74 0.42 -5.14 2.25 3.38 -0.59 -1.19 115.31 115.19 2jf0 h LEU 540 Ca 0.19 -0.93 -0.52 0.00 0.09 0.00 0.00 57.88 56.71 2jf0 h LEU 540 Cb 0.01 -0.14 0.02 0.00 0.09 0.00 0.00 40.66 40.64 2jf0 h LEU 540 CO -0.03 1.32 3.13 -1.54 0.09 0.00 0.00 178.44 181.40 2jf0 n SER 541 N -4.19 6.95 0.00 -0.43 3.41 0.88 0.08 113.62 120.32 2jf0 n SER 541 Ca -0.13 -2.45 0.00 0.00 -0.26 0.00 0.00 58.87 56.03 2jf0 n SER 541 Cb 0.76 -1.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 2jf0 n SER 541 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jf0 n ALA 542 N 3.78 0.00 -1.83 7.33 0.00 -1.22 -4.86 120.51 123.72 2jf0 n ALA 542 Ca 0.62 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.06 2jf0 n ALA 542 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.67 2jf0 n ALA 542 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2jf0 n THR 543 N 0.00 -5.29 0.00 0.00 -1.04 0.11 -5.03 114.28 103.03 2jf0 n THR 543 Ca 0.00 1.32 0.00 0.00 -2.04 0.00 0.00 64.05 63.33 2jf0 n THR 543 Cb 0.00 -2.63 0.00 0.00 -1.82 0.00 0.00 70.33 65.88 2jf0 n THR 543 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43