#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jf0 n GLY 2 N 0.00 1.79 0.00 -1.84 0.00 -1.26 -4.23 105.19 99.66 2jf0 n GLY 2 Ca 0.00 -0.25 0.10 0.00 0.00 0.00 0.00 46.02 45.87 2jf0 n GLY 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jf0 n ARG 3 N 0.00 0.08 -1.20 1.61 3.00 -1.26 -4.99 116.66 113.90 2jf0 n ARG 3 Ca 0.00 -0.01 -0.30 0.00 -0.01 0.00 0.00 57.85 57.54 2jf0 n ARG 3 Cb 0.00 -1.49 0.14 0.00 0.00 0.00 0.00 32.46 31.11 2jf0 n ARG 3 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 2jf0 s GLU 4 N -3.00 1.24 -0.25 5.56 -1.05 -1.26 -4.94 118.70 115.00 2jf0 s GLU 4 Ca 0.07 0.83 -0.29 0.00 -0.15 0.00 0.00 54.97 55.43 2jf0 s GLU 4 Cb 0.16 -1.81 -0.02 0.00 -0.44 0.00 0.00 34.13 32.03 2jf0 s GLU 4 CO 0.86 -2.26 1.47 0.34 0.95 0.00 0.00 175.26 176.63 2jf0 s ASP 5 N -3.41 6.53 0.63 0.83 -1.08 -1.26 -4.89 116.67 114.02 2jf0 s ASP 5 Ca 0.63 1.47 0.25 0.00 -0.52 0.00 0.00 52.55 54.39 2jf0 s ASP 5 Cb -0.18 -2.54 1.29 0.00 -1.46 0.00 0.00 42.92 40.03 2jf0 s ASP 5 CO 0.57 -1.16 1.73 1.55 0.52 0.00 0.00 175.17 178.38 2jf0 h PRO 6 N 10.00 0.00 -0.00 4.34 0.13 -1.96 0.53 132.00 145.04 2jf0 h PRO 6 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2jf0 h PRO 6 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2jf0 h PRO 6 CO 1.01 0.00 -0.22 1.04 -0.23 0.00 0.00 178.00 179.60 2jf0 n GLN 7 N -3.19 0.29 -0.13 0.86 1.13 -1.26 -3.51 117.38 111.56 2jf0 n GLN 7 Ca 0.05 -0.11 0.10 0.00 -1.94 0.00 0.00 57.00 55.10 2jf0 n GLN 7 Cb 0.70 -1.50 0.16 0.00 0.11 0.00 0.00 30.24 29.71 2jf0 n GLN 7 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2jf0 n LEU 8 N -1.26 3.06 -4.31 1.08 4.77 0.18 -4.84 117.00 115.68 2jf0 n LEU 8 Ca 0.09 -1.43 -0.40 0.00 -0.03 0.00 0.00 56.01 54.25 2jf0 n LEU 8 Cb 0.32 -0.17 -0.11 0.00 -2.33 0.00 0.00 43.42 41.12 2jf0 n LEU 8 CO 0.28 0.65 -0.17 -0.76 -1.33 0.00 0.00 177.39 176.06 2jf0 s LEU 9 N -1.36 4.74 0.05 2.23 1.43 -1.23 0.13 118.68 124.67 2jf0 s LEU 9 Ca 0.31 -1.20 0.06 0.00 -1.03 0.00 0.00 54.13 52.27 2jf0 s LEU 9 Cb 0.18 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 2jf0 s LEU 9 CO 0.26 -0.42 -0.17 -0.69 0.23 0.00 0.00 176.35 175.56 2jf0 s VAL 10 N 1.47 1.38 -0.15 -1.59 1.01 -0.25 -4.98 120.40 117.29 2jf0 s VAL 10 Ca 0.01 -1.16 -0.05 0.00 0.00 0.00 0.00 61.98 60.78 2jf0 s VAL 10 Cb -0.20 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 2jf0 s VAL 10 CO 0.04 0.05 0.02 -0.60 0.00 0.00 0.00 175.10 174.61 2jf0 s ARG 11 N -1.30 3.63 0.49 2.72 3.52 -1.26 0.27 118.95 127.02 2jf0 s ARG 11 Ca 0.04 -0.39 0.03 0.00 -0.13 0.00 0.00 55.73 55.28 2jf0 s ARG 11 Cb -0.09 -3.03 -0.01 0.00 -1.56 0.00 0.00 34.95 30.26 2jf0 s ARG 11 CO 0.02 0.40 0.10 0.14 -0.81 0.00 0.00 175.30 175.15 2jf0 s VAL 12 N -0.02 1.48 0.38 7.11 -7.23 0.13 -4.80 120.40 117.45 2jf0 s VAL 12 Ca 0.04 -1.86 0.12 0.00 -1.81 0.00 0.00 61.98 58.47 2jf0 s VAL 12 Cb -0.13 -2.35 0.34 0.00 0.56 0.00 0.00 36.38 34.81 2jf0 s VAL 12 CO 0.02 0.00 1.87 -0.09 -0.31 0.00 0.00 175.10 176.58 2jf0 h ARG 13 N 1.29 0.57 -0.01 4.82 9.65 -1.93 0.21 114.38 128.98 2jf0 h ARG 13 Ca -0.42 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.42 2jf0 h ARG 13 Cb 1.30 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 29.75 2jf0 h ARG 13 CO 0.71 0.38 -0.05 0.41 2.80 0.00 0.00 179.97 184.22 2jf0 n GLY 14 N -1.46 -0.73 0.00 2.80 0.00 -1.26 -4.84 105.19 99.70 2jf0 n GLY 14 Ca 0.18 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 1.18 0.78 3.87 -0.02 0.00 0.73 0.45 105.19 112.19 2jf0 n GLY 15 Ca 0.18 -1.93 -0.37 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.39 3.56 -0.03 1.61 -0.21 -1.25 0.18 119.66 122.13 2jf0 s GLN 16 Ca 0.00 -0.01 0.04 0.00 0.02 0.00 0.00 55.36 55.41 2jf0 s GLN 16 Cb 0.00 -3.18 -0.00 0.00 1.00 0.00 0.00 33.01 30.83 2jf0 s GLN 16 CO 0.00 0.74 -0.15 -0.51 -2.12 0.00 0.00 175.29 173.25 2jf0 s LEU 17 N -1.18 1.91 -0.31 2.90 1.43 0.14 0.67 118.68 124.23 2jf0 s LEU 17 Ca 0.19 -0.30 -0.07 0.00 -1.03 0.00 0.00 54.13 52.92 2jf0 s LEU 17 Cb -0.13 -0.83 0.02 0.00 0.03 0.00 0.00 46.19 45.27 2jf0 s LEU 17 CO 0.08 0.14 0.10 -0.60 0.23 0.00 0.00 176.35 176.30 2jf0 s ARG 18 N -0.02 2.94 0.00 1.70 3.52 0.44 -1.09 118.95 126.43 2jf0 s ARG 18 Ca -0.01 -0.97 0.00 0.00 -0.13 0.00 0.00 55.73 54.62 2jf0 s ARG 18 Cb -0.10 -3.42 0.00 0.00 -1.56 0.00 0.00 34.95 29.87 2jf0 s ARG 18 CO 0.01 -0.53 0.00 0.41 -0.81 0.00 0.00 175.30 174.38 2jf0 n GLY 19 N 4.86 0.34 3.14 8.12 0.00 0.12 0.68 105.19 122.45 2jf0 n GLY 19 Ca -0.14 -1.87 -0.20 0.00 0.00 0.00 0.00 46.02 43.81 2jf0 n GLY 19 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2jf0 s ILE 20 N 0.13 1.10 -0.33 -0.61 2.07 0.25 -4.72 121.20 119.08 2jf0 s ILE 20 Ca 0.00 -0.96 -0.26 0.00 -1.41 0.00 0.00 60.65 58.03 2jf0 s ILE 20 Cb 0.00 -0.99 0.01 0.00 0.13 0.00 0.00 42.46 41.61 2jf0 s ILE 20 CO 0.00 0.03 0.91 -0.60 -1.91 0.00 0.00 174.94 173.37 2jf0 s ARG 21 N -1.06 3.94 0.00 3.50 3.52 -1.26 0.35 118.95 127.95 2jf0 s ARG 21 Ca 0.02 0.70 0.01 0.00 -0.13 0.00 0.00 55.73 56.33 2jf0 s ARG 21 Cb -0.08 -3.76 -0.04 0.00 -1.56 0.00 0.00 34.95 29.52 2jf0 s ARG 21 CO 0.01 -0.83 0.01 -0.51 -0.81 0.00 0.00 175.30 173.18 2jf0 s LEU 22 N 3.30 3.57 -0.12 -0.88 1.43 0.13 -4.91 118.68 121.19 2jf0 s LEU 22 Ca 0.38 0.00 -0.28 0.00 -1.03 0.00 0.00 54.13 53.20 2jf0 s LEU 22 Cb -0.13 -2.07 -0.01 0.00 0.03 0.00 0.00 46.19 44.01 2jf0 s LEU 22 CO 0.15 0.27 0.95 -0.54 0.23 0.00 0.00 176.35 177.41 2jf0 s LYS 23 N -1.64 4.39 0.24 1.70 3.01 -1.26 0.13 119.74 126.31 2jf0 s LYS 23 Ca 0.20 1.27 0.09 0.00 -1.01 0.00 0.00 55.97 56.53 2jf0 s LYS 23 Cb -0.12 -3.55 -0.04 0.00 -1.01 0.00 0.00 37.83 33.11 2jf0 s LYS 23 CO 0.11 -0.31 -0.01 0.00 0.51 0.00 0.00 175.35 175.65 2jf0 s ALA 24 N 2.03 3.15 0.25 5.17 0.00 0.56 -4.90 121.76 128.02 2jf0 s ALA 24 Ca 0.45 -1.59 -0.06 0.00 0.00 0.00 0.00 51.96 50.76 2jf0 s ALA 24 Cb -0.18 -0.81 0.47 0.00 0.00 0.00 0.00 23.12 22.60 2jf0 s ALA 24 CO 0.16 0.31 1.63 -1.35 0.00 0.00 0.00 175.76 176.51 2jf0 h PRO 25 N 2.09 0.09 -0.02 0.00 0.11 -1.97 -0.41 132.00 131.90 2jf0 h PRO 25 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2jf0 h PRO 25 Cb 1.24 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2jf0 h PRO 25 CO 0.59 0.06 0.00 0.41 -0.21 0.00 0.00 178.00 178.85 2jf0 n GLY 26 N -1.43 -0.49 0.00 -0.55 0.00 -1.26 -5.00 105.19 96.46 2jf0 n GLY 26 Ca 0.15 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 1.06 0.59 3.84 -0.02 0.00 -0.16 -5.06 105.19 105.44 2jf0 n GLY 27 Ca 0.20 -1.81 -0.32 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.87 4.04 0.17 1.61 0.04 -1.26 -0.32 135.00 137.40 2jf0 s PRO 28 Ca 0.00 1.01 0.08 0.00 0.04 0.00 0.00 61.00 62.12 2jf0 s PRO 28 Cb 0.00 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 2jf0 s PRO 28 CO 0.00 -0.19 -0.16 0.14 0.04 0.00 0.00 177.00 176.82 2jf0 s VAL 29 N -2.48 1.71 -0.18 -0.36 -7.23 0.12 -3.49 120.40 108.49 2jf0 s VAL 29 Ca 0.60 -1.96 -0.17 0.00 -1.81 0.00 0.00 61.98 58.64 2jf0 s VAL 29 Cb -0.10 -1.84 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 2jf0 s VAL 29 CO 0.25 -0.41 0.44 -0.44 -0.31 0.00 0.00 175.10 174.64 2jf0 s SER 30 N -2.79 6.51 -0.14 4.85 0.01 0.46 0.18 113.70 122.78 2jf0 s SER 30 Ca 0.16 0.61 -0.00 0.00 1.31 0.00 0.00 55.95 58.03 2jf0 s SER 30 Cb -0.04 -2.26 -0.01 0.00 0.21 0.00 0.00 66.02 63.92 2jf0 s SER 30 CO 0.06 -0.08 -0.13 0.00 0.41 0.00 0.00 173.24 173.50 2jf0 s ALA 31 N 1.23 2.61 -0.40 1.44 0.00 0.16 -0.95 121.76 125.84 2jf0 s ALA 31 Ca 0.21 -0.93 -0.04 0.00 0.00 0.00 0.00 51.96 51.20 2jf0 s ALA 31 Cb -0.15 -1.25 0.10 0.00 0.00 0.00 0.00 23.12 21.82 2jf0 s ALA 31 CO 0.09 0.15 0.20 -0.06 0.00 0.00 0.00 175.76 176.14 2jf0 s PHE 32 N 0.51 3.49 0.01 0.00 0.40 0.19 0.84 117.98 123.43 2jf0 s PHE 32 Ca -0.09 -2.16 0.03 0.00 -0.60 0.00 0.00 56.93 54.12 2jf0 s PHE 32 Cb -0.16 -3.07 -0.04 0.00 0.51 0.00 0.00 43.02 40.27 2jf0 s PHE 32 CO 0.04 -0.93 -0.04 -0.51 0.70 0.00 0.00 175.22 174.47 2jf0 s LEU 33 N 1.22 3.29 -1.10 -0.37 1.43 0.35 -0.61 118.68 122.89 2jf0 s LEU 33 Ca 0.05 -0.12 -0.04 0.00 -1.03 0.00 0.00 54.13 53.00 2jf0 s LEU 33 Cb -0.23 -1.91 0.00 0.00 0.03 0.00 0.00 46.19 44.09 2jf0 s LEU 33 CO -0.02 0.27 0.47 0.61 0.23 0.00 0.00 176.35 177.90 2jf0 n GLY 34 N 1.38 -0.17 3.68 -3.19 0.00 -1.03 -3.76 105.19 102.10 2jf0 n GLY 34 Ca -0.15 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.01 4.21 0.22 -0.61 1.01 0.42 -4.73 121.20 118.71 2jf0 s ILE 35 Ca 0.23 1.51 -0.30 0.00 0.00 0.00 0.00 60.65 62.09 2jf0 s ILE 35 Cb -0.10 -3.97 -0.09 0.00 0.01 0.00 0.00 42.46 38.31 2jf0 s ILE 35 CO 0.29 -0.06 1.16 -2.16 0.00 0.00 0.00 174.94 174.17 2jf0 s PRO 36 N 2.78 4.54 0.00 2.79 0.04 -1.26 0.27 135.00 144.17 2jf0 s PRO 36 Ca 0.56 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.46 2jf0 s PRO 36 Cb -0.24 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.08 2jf0 s PRO 36 CO 0.19 0.02 0.33 1.97 0.04 0.00 0.00 177.00 179.55 2jf0 n PHE 37 N 1.94 0.00 -3.90 0.56 1.16 -0.86 -4.81 117.46 111.55 2jf0 n PHE 37 Ca 0.02 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.51 2jf0 n PHE 37 Cb 0.45 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.23 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 -0.38 -0.13 0.39 1.98 0.00 -1.24 -2.29 121.76 120.09 2jf0 s ALA 38 Ca 0.00 -0.57 -0.26 0.00 0.00 0.00 0.00 51.96 51.12 2jf0 s ALA 38 Cb 0.00 0.34 -0.09 0.00 0.00 0.00 0.00 23.12 23.37 2jf0 s ALA 38 CO 0.01 -0.40 1.28 -1.21 0.00 0.00 0.00 175.76 175.44 2jf0 s GLU 39 N -3.14 4.05 -0.08 0.00 0.41 0.97 -4.37 118.70 116.53 2jf0 s GLU 39 Ca -0.00 2.12 -0.37 0.00 -0.41 0.00 0.00 54.97 56.30 2jf0 s GLU 39 Cb 0.02 -2.80 -0.15 0.00 -1.78 0.00 0.00 34.13 29.42 2jf0 s GLU 39 CO -0.07 -0.41 1.63 -2.30 -0.49 0.00 0.00 175.26 173.62 2jf0 n PRO 40 N 0.24 1.46 -1.15 0.39 -0.02 -1.26 -4.66 135.00 130.01 2jf0 n PRO 40 Ca 0.03 0.53 -0.30 0.00 -2.02 0.00 0.00 63.50 61.74 2jf0 n PRO 40 Cb 0.44 -2.25 -0.06 0.00 -0.02 0.00 0.00 33.50 31.61 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 4.53 3.06 -3.04 0.52 -0.04 -1.26 -4.88 135.00 133.89 2jf0 n PRO 41 Ca 0.22 -1.80 -0.18 0.00 -0.04 0.00 0.00 63.50 61.71 2jf0 n PRO 41 Cb 0.20 -2.56 0.02 0.00 -0.04 0.00 0.00 33.50 31.12 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 2.86 0.00 0.52 -7.23 -1.26 -3.00 120.40 114.37 2jf0 s VAL 42 Ca 0.64 -1.02 0.00 0.00 -1.81 0.00 0.00 61.98 59.80 2jf0 s VAL 42 Cb 0.20 -2.88 0.00 0.00 0.56 0.00 0.00 36.38 34.26 2jf0 s VAL 42 CO -0.04 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.36 2jf0 n GLY 43 N -1.89 3.20 0.00 2.32 0.00 -1.26 0.44 105.19 108.00 2jf0 n GLY 43 Ca 0.09 0.14 0.03 0.00 0.00 0.00 0.00 46.02 46.29 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 4.62 0.00 -0.44 1.61 3.41 -1.26 -2.04 113.62 119.52 2jf0 n SER 44 Ca 0.00 0.49 0.12 0.00 -0.26 0.00 0.00 58.87 59.22 2jf0 n SER 44 Cb 0.00 -0.49 0.21 0.00 -0.26 0.00 0.00 64.21 63.67 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 -1.49 1.21 -1.99 4.33 1.74 0.17 -4.78 116.66 115.84 2jf0 n ARG 45 Ca 0.02 -0.88 -0.41 0.00 -0.77 0.00 0.00 57.85 55.80 2jf0 n ARG 45 Cb 0.08 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.02 2jf0 n ARG 45 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2jf0 s ARG 46 N -2.40 4.26 0.00 5.56 3.52 -0.87 -1.55 118.95 127.47 2jf0 s ARG 46 Ca 0.24 2.33 0.00 0.00 -0.13 0.00 0.00 55.73 58.16 2jf0 s ARG 46 Cb 0.19 -3.09 0.00 0.00 -1.56 0.00 0.00 34.95 30.49 2jf0 s ARG 46 CO 0.50 -0.42 0.00 1.19 -0.81 0.00 0.00 175.30 175.76 2jf0 n PHE 47 N 2.08 0.00 -3.21 5.12 3.72 -1.26 -4.93 117.46 118.98 2jf0 n PHE 47 Ca 0.06 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.12 2jf0 n PHE 47 Cb 0.40 -0.25 -0.06 0.00 -0.94 0.00 0.00 39.48 38.63 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 -0.01 4.06 0.67 -1.08 -1.94 -0.60 -4.12 119.30 116.28 2jf0 s MET 48 Ca 0.00 0.64 -0.17 0.00 -1.71 0.00 0.00 55.69 54.45 2jf0 s MET 48 Cb 0.00 -2.73 -0.09 0.00 2.01 0.00 0.00 34.83 34.03 2jf0 s MET 48 CO 0.00 0.33 0.23 -2.30 -0.01 0.00 0.00 175.02 173.27 2jf0 n PRO 49 N 0.30 0.23 -2.43 2.03 -0.02 -1.26 -4.87 135.00 128.99 2jf0 n PRO 49 Ca -0.01 0.10 -0.40 0.00 -2.02 0.00 0.00 63.50 61.18 2jf0 n PRO 49 Cb 0.52 -1.52 -0.04 0.00 -0.02 0.00 0.00 33.50 32.44 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 -2.14 4.49 -0.13 0.52 0.04 -1.26 -5.02 135.00 131.50 2jf0 s PRO 50 Ca 0.61 1.82 -0.07 0.00 0.04 0.00 0.00 61.00 63.40 2jf0 s PRO 50 Cb -0.38 -3.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 2jf0 s PRO 50 CO 0.62 0.07 0.11 -1.21 0.04 0.00 0.00 177.00 176.63 2jf0 s GLU 51 N -1.70 3.52 0.53 4.56 2.02 -1.26 -4.99 118.70 121.37 2jf0 s GLU 51 Ca 0.48 -0.20 -0.21 0.00 0.02 0.00 0.00 54.97 55.06 2jf0 s GLU 51 Cb -0.31 -3.16 -0.08 0.00 0.10 0.00 0.00 34.13 30.67 2jf0 s GLU 51 CO 0.40 0.66 0.91 -2.30 0.02 0.00 0.00 175.26 174.95 2jf0 n PRO 52 N 2.34 1.01 -1.99 0.39 -0.02 -1.26 -0.02 135.00 135.45 2jf0 n PRO 52 Ca -0.19 0.38 -0.42 0.00 -2.02 0.00 0.00 63.50 61.25 2jf0 n PRO 52 Cb 0.54 -2.04 -0.03 0.00 -0.02 0.00 0.00 33.50 31.95 2jf0 n PRO 52 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2jf0 s LYS 53 N -2.35 4.23 0.28 -0.52 2.47 -0.97 -3.84 119.74 119.04 2jf0 s LYS 53 Ca 0.70 2.27 -0.29 0.00 -1.56 0.00 0.00 55.97 57.09 2jf0 s LYS 53 Cb -0.47 -3.38 -0.10 0.00 -1.46 0.00 0.00 37.83 32.41 2jf0 s LYS 53 CO 0.52 -0.63 1.26 1.03 0.16 0.00 0.00 175.35 177.69 2jf0 s ARG 54 N 1.85 4.43 0.57 4.03 3.00 -1.26 -4.83 118.95 126.74 2jf0 s ARG 54 Ca 0.70 2.07 -0.19 0.00 0.00 0.00 0.00 55.73 58.32 2jf0 s ARG 54 Cb -0.40 -3.13 -0.08 0.00 0.00 0.00 0.00 34.95 31.34 2jf0 s ARG 54 CO 0.31 -0.11 0.66 -2.30 0.00 0.00 0.00 175.30 173.86 2jf0 n PRO 55 N 1.40 0.64 -4.18 3.54 -0.02 -1.26 -4.96 135.00 130.16 2jf0 n PRO 55 Ca 0.01 0.25 -0.24 0.00 -2.02 0.00 0.00 63.50 61.50 2jf0 n PRO 55 Cb 0.43 -1.83 -0.07 0.00 -0.02 0.00 0.00 33.50 32.00 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 -1.64 2.62 0.07 6.00 -2.14 0.17 -5.00 118.94 119.02 2jf0 s TRP 56 Ca 0.70 -0.49 0.03 0.00 2.66 0.00 0.00 56.10 59.00 2jf0 s TRP 56 Cb -0.45 -1.74 -0.04 0.00 -3.10 0.00 0.00 33.47 28.14 2jf0 s TRP 56 CO 0.53 0.31 0.05 -1.54 -2.66 0.00 0.00 176.95 173.64 2jf0 s SER 57 N -3.84 5.37 0.23 -2.66 1.04 -1.26 -4.62 113.70 107.97 2jf0 s SER 57 Ca 0.38 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.77 2jf0 s SER 57 Cb 0.01 -1.41 0.00 0.00 0.10 0.00 0.00 66.02 64.72 2jf0 s SER 57 CO 0.22 0.19 0.00 0.61 0.98 0.00 0.00 173.24 175.24 2jf0 n GLY 58 N 0.63 -1.59 3.47 7.32 0.00 -1.26 -4.68 105.19 109.07 2jf0 n GLY 58 Ca -0.10 -1.29 -0.43 0.00 0.00 0.00 0.00 46.02 44.20 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 5.26 0.10 1.61 1.01 -1.26 -3.75 120.40 123.38 2jf0 s VAL 59 Ca 0.00 -0.60 -0.31 0.00 0.00 0.00 0.00 61.98 61.07 2jf0 s VAL 59 Cb 0.00 -3.90 -0.09 0.00 0.00 0.00 0.00 36.38 32.39 2jf0 s VAL 59 CO 0.00 -0.27 1.66 -0.22 0.00 0.00 0.00 175.10 176.27 2jf0 s LEU 60 N 1.69 4.37 -0.30 3.92 0.20 0.21 -4.79 118.68 123.98 2jf0 s LEU 60 Ca 0.05 2.57 -0.29 0.00 0.69 0.00 0.00 54.13 57.15 2jf0 s LEU 60 Cb -0.19 -3.57 0.00 0.00 -0.43 0.00 0.00 46.19 42.00 2jf0 s LEU 60 CO 0.10 -0.89 1.27 -0.62 -0.29 0.00 0.00 176.35 175.92 2jf0 s ASP 61 N 2.10 6.71 -0.44 3.68 -1.08 -1.26 -0.42 116.67 125.96 2jf0 s ASP 61 Ca 0.74 1.19 0.05 0.00 -0.52 0.00 0.00 52.55 54.00 2jf0 s ASP 61 Cb -0.42 -2.54 0.43 0.00 -1.46 0.00 0.00 42.92 38.93 2jf0 s ASP 61 CO 0.33 -1.05 1.25 0.00 0.52 0.00 0.00 175.17 176.21 2jf0 n ALA 62 N 7.52 5.23 0.81 3.66 0.00 0.21 -4.67 120.51 133.27 2jf0 n ALA 62 Ca 0.14 -4.11 0.08 0.00 0.00 0.00 0.00 53.44 49.55 2jf0 n ALA 62 Cb 0.47 -0.65 -0.09 0.00 0.00 0.00 0.00 19.45 19.17 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 -0.57 0.00 -4.16 0.00 -2.24 -1.23 0.13 114.28 106.20 2jf0 n THR 63 Ca 0.43 -0.10 -0.15 0.00 -2.27 0.00 0.00 64.05 61.96 2jf0 n THR 63 Cb 0.72 1.01 -0.11 0.00 -2.10 0.00 0.00 70.33 69.84 2jf0 n THR 63 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2jf0 s THR 64 N -2.60 0.93 0.39 4.28 -4.23 -1.26 -4.81 115.64 108.34 2jf0 s THR 64 Ca 0.07 -1.50 -0.27 0.00 -1.18 0.00 0.00 61.69 58.80 2jf0 s THR 64 Cb 0.13 -1.21 -0.09 0.00 1.34 0.00 0.00 72.50 72.67 2jf0 s THR 64 CO 0.70 -0.47 1.36 -0.36 -0.54 0.00 0.00 174.62 175.30 2jf0 s PHE 65 N -2.07 2.78 0.62 3.99 0.08 -1.26 -3.14 117.98 118.99 2jf0 s PHE 65 Ca 0.02 1.35 -0.06 0.00 0.12 0.00 0.00 56.93 58.36 2jf0 s PHE 65 Cb -0.05 -3.77 0.14 0.00 -0.57 0.00 0.00 43.02 38.76 2jf0 s PHE 65 CO 0.01 -2.32 0.85 1.04 -0.10 0.00 0.00 175.22 174.70 2jf0 n GLN 66 N 0.31 -0.42 -1.39 0.44 1.13 -1.26 -4.86 117.38 111.34 2jf0 n GLN 66 Ca 0.02 -1.76 -0.35 0.00 -1.94 0.00 0.00 57.00 52.97 2jf0 n GLN 66 Cb 0.42 -0.74 0.09 0.00 0.11 0.00 0.00 30.24 30.12 2jf0 n GLN 66 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2jf0 n ASN 67 N -3.27 1.11 -4.83 1.08 3.02 -1.26 -4.79 115.26 106.31 2jf0 n ASN 67 Ca 0.12 0.69 -0.37 0.00 -0.03 0.00 0.00 54.58 54.99 2jf0 n ASN 67 Cb 0.43 -1.48 -0.06 0.00 -0.61 0.00 0.00 39.78 38.06 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 -1.79 4.89 0.51 2.41 1.01 0.11 -4.66 120.40 122.89 2jf0 s VAL 68 Ca 0.76 0.92 -0.23 0.00 0.00 0.00 0.00 61.98 63.44 2jf0 s VAL 68 Cb -0.34 -3.77 -0.06 0.00 0.00 0.00 0.00 36.38 32.21 2jf0 s VAL 68 CO 0.47 0.44 1.35 0.00 0.00 0.00 0.00 175.10 177.37 2jf0 n TYR 70 N -0.77 2.57 -3.48 0.00 9.36 -1.05 -4.68 117.16 119.12 2jf0 n TYR 70 Ca 0.09 0.23 -0.14 0.00 3.32 0.00 0.00 57.90 61.40 2jf0 n TYR 70 Cb 0.45 -2.58 -0.04 0.00 -0.63 0.00 0.00 39.34 36.54 2jf0 n TYR 70 CO 0.00 0.00 0.00 1.14 0.22 0.00 0.00 176.86 178.22 2jf0 s GLN 71 N 0.24 1.11 0.18 2.98 -2.07 -1.26 -4.55 119.66 116.29 2jf0 s GLN 71 Ca 0.71 -0.14 -0.33 0.00 -1.82 0.00 0.00 55.36 53.78 2jf0 s GLN 71 Cb -0.57 0.51 -0.13 0.00 -1.09 0.00 0.00 33.01 31.74 2jf0 s GLN 71 CO 0.42 -0.43 1.67 0.98 -1.32 0.00 0.00 175.29 176.61 2jf0 n TYR 72 N 0.19 2.53 -3.65 9.60 4.19 -1.23 -4.98 117.16 123.82 2jf0 n TYR 72 Ca -0.16 0.13 -0.38 0.00 3.31 0.00 0.00 57.90 60.80 2jf0 n TYR 72 Cb 0.61 -2.62 -0.12 0.00 0.49 0.00 0.00 39.34 37.71 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 1.17 4.83 0.04 2.97 1.01 -1.26 -4.81 120.40 124.36 2jf0 s VAL 73 Ca 0.77 -0.11 -0.30 0.00 0.00 0.00 0.00 61.98 62.34 2jf0 s VAL 73 Cb -0.58 -3.35 -0.08 0.00 0.00 0.00 0.00 36.38 32.37 2jf0 s VAL 73 CO 0.35 0.21 1.81 -0.62 0.00 0.00 0.00 175.10 176.85 2jf0 s ASP 74 N 1.68 6.52 -0.09 3.32 2.15 -1.26 -4.88 116.67 124.11 2jf0 s ASP 74 Ca 0.06 2.57 0.13 0.00 0.43 0.00 0.00 52.55 55.74 2jf0 s ASP 74 Cb -0.16 -2.55 0.26 0.00 -0.30 0.00 0.00 42.92 40.17 2jf0 s ASP 74 CO 0.08 -0.98 1.13 0.35 -0.17 0.00 0.00 175.17 175.57 2jf0 n THR 75 N 5.19 1.18 -0.01 1.71 -2.24 -1.26 -4.81 114.28 114.05 2jf0 n THR 75 Ca 0.18 -1.67 -0.09 0.00 -2.27 0.00 0.00 64.05 60.20 2jf0 n THR 75 Cb 0.41 0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.74 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 0.33 -0.34 -7.00 3.22 5.85 -2.01 -3.33 115.31 112.03 2jf0 h LEU 76 Ca -0.03 0.07 -0.62 0.00 0.84 0.00 0.00 57.88 58.14 2jf0 h LEU 76 Cb 1.23 0.18 -0.41 0.00 0.37 0.00 0.00 40.66 42.03 2jf0 h LEU 76 CO 0.01 -0.14 -0.67 -0.31 -0.34 0.00 0.00 178.44 176.99 2jf0 s TYR 77 N -6.17 2.86 0.18 1.25 2.02 -1.26 -5.09 117.35 111.14 2jf0 s TYR 77 Ca -0.14 -3.01 -0.33 0.00 -0.37 0.00 0.00 57.07 53.22 2jf0 s TYR 77 Cb 0.10 -2.31 -0.13 0.00 -0.40 0.00 0.00 41.96 39.22 2jf0 s TYR 77 CO 0.68 -0.66 1.62 -2.30 -1.57 0.00 0.00 175.55 173.31 2jf0 n PRO 78 N 2.55 2.34 0.00 -1.71 -0.02 -1.25 -1.61 135.00 135.30 2jf0 n PRO 78 Ca 0.17 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 2jf0 n PRO 78 Cb 0.36 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 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 3.51 2.77 3.68 -1.23 0.00 -1.26 -4.98 105.19 107.68 2jf0 n GLY 79 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.75 3.04 0.29 1.61 5.36 -0.63 -4.93 117.98 119.98 2jf0 s PHE 80 Ca 0.00 1.13 0.01 0.00 -0.96 0.00 0.00 56.93 57.10 2jf0 s PHE 80 Cb 0.00 -3.46 0.52 0.00 -0.34 0.00 0.00 43.02 39.75 2jf0 s PHE 80 CO 0.00 -1.48 1.88 1.49 -1.46 0.00 0.00 175.22 175.65 2jf0 h GLU 81 N 7.78 1.01 -0.25 10.12 4.57 -1.94 0.64 114.58 136.51 2jf0 h GLU 81 Ca -0.31 -0.06 0.07 0.00 -1.18 0.00 0.00 59.36 57.89 2jf0 h GLU 81 Cb 1.13 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 29.49 2jf0 h GLU 81 CO 0.92 0.67 0.18 0.78 -1.18 0.00 0.00 179.01 180.38 2jf0 h GLY 82 N 1.04 0.00 0.05 1.92 0.00 -1.91 0.38 103.07 104.55 2jf0 h GLY 82 Ca 0.44 -0.00 -0.41 0.00 0.00 0.00 0.00 47.33 47.36 2jf0 h GLY 82 CO -0.20 0.00 -2.41 -1.30 0.00 0.00 0.00 176.54 172.64 2jf0 n THR 83 N -4.46 1.53 -0.28 4.70 -2.24 -0.87 -4.52 114.28 108.14 2jf0 n THR 83 Ca 0.03 -0.49 0.07 0.00 -2.27 0.00 0.00 64.05 61.39 2jf0 n THR 83 Cb 0.33 -1.63 0.21 0.00 -2.10 0.00 0.00 70.33 67.15 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 -0.37 0.48 0.00 -0.78 4.39 -0.50 -1.80 114.58 116.01 2jf0 h GLU 84 Ca -0.60 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.07 2jf0 h GLU 84 Cb 1.79 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 30.33 2jf0 h GLU 84 CO -0.19 0.32 0.11 0.00 -1.16 0.00 0.00 179.01 178.09 2jf0 h MET 85 N 0.50 0.00 -0.00 2.33 -0.00 -1.16 0.38 114.93 116.98 2jf0 h MET 85 Ca 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.15 2jf0 h MET 85 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.29 2jf0 h MET 85 CO -0.41 0.00 -0.97 0.91 -0.00 0.00 0.00 176.91 176.44 2jf0 n TRP 86 N -2.61 0.00 -2.43 -0.10 7.02 -0.68 -4.67 117.44 113.96 2jf0 n TRP 86 Ca -0.02 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.15 2jf0 n TRP 86 Cb 0.16 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.02 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 -2.95 6.53 0.11 -0.99 0.01 0.13 -4.63 114.94 113.16 2jf0 s ASN 87 Ca 0.08 1.43 -0.35 0.00 -0.71 0.00 0.00 52.86 53.31 2jf0 s ASN 87 Cb 0.16 -2.45 -0.17 0.00 0.41 0.00 0.00 41.25 39.20 2jf0 s ASN 87 CO 0.85 -0.59 1.23 -2.65 -1.51 0.00 0.00 177.10 174.43 2jf0 n PRO 88 N -1.71 1.02 -0.21 -0.60 -0.02 -1.26 -4.85 135.00 127.36 2jf0 n PRO 88 Ca 0.05 0.36 0.06 0.00 -2.02 0.00 0.00 63.50 61.95 2jf0 n PRO 88 Cb 0.54 -1.93 0.16 0.00 -0.02 0.00 0.00 33.50 32.25 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 2.23 3.02 -4.17 2.55 6.94 -1.26 -4.96 115.26 119.61 2jf0 n ASN 89 Ca 0.17 -2.19 -0.10 0.00 -0.02 0.00 0.00 54.58 52.44 2jf0 n ASN 89 Cb 0.20 -0.27 -0.10 0.00 -2.36 0.00 0.00 39.78 37.25 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 -1.33 1.02 0.32 -3.83 1.81 -1.26 -5.08 118.95 110.60 2jf0 s ARG 90 Ca 0.25 -1.51 -0.28 0.00 -1.72 0.00 0.00 55.73 52.47 2jf0 s ARG 90 Cb 0.15 0.25 -0.13 0.00 -0.45 0.00 0.00 34.95 34.78 2jf0 s ARG 90 CO 0.13 -0.31 1.28 -1.91 -0.68 0.00 0.00 175.30 173.82 2jf0 n GLU 91 N -0.16 2.06 -2.59 3.54 2.13 -1.26 -4.39 120.64 119.97 2jf0 n GLU 91 Ca -0.03 0.72 -0.42 0.00 0.66 0.00 0.00 57.16 58.09 2jf0 n GLU 91 Cb 0.64 -2.30 -0.03 0.00 0.27 0.00 0.00 31.44 30.03 2jf0 n GLU 91 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2jf0 s LEU 92 N -0.75 4.25 0.04 4.31 1.43 -1.26 -0.71 118.68 125.99 2jf0 s LEU 92 Ca 0.57 1.64 -0.14 0.00 -1.03 0.00 0.00 54.13 55.17 2jf0 s LEU 92 Cb -0.59 -3.56 0.02 0.00 0.03 0.00 0.00 46.19 42.10 2jf0 s LEU 92 CO 0.60 -0.52 0.32 -0.55 0.23 0.00 0.00 176.35 176.44 2jf0 s SER 93 N 1.27 -0.15 0.38 2.29 0.15 -0.10 -4.90 113.70 112.64 2jf0 s SER 93 Ca 0.51 -0.16 0.21 0.00 0.70 0.00 0.00 55.95 57.21 2jf0 s SER 93 Cb -0.21 0.37 0.41 0.00 -1.71 0.00 0.00 66.02 64.88 2jf0 s SER 93 CO 0.19 -0.62 1.61 -0.33 1.20 0.00 0.00 173.24 175.28 2jf0 h GLU 94 N 3.18 0.00 -5.77 5.44 5.08 -1.94 -2.80 114.58 117.77 2jf0 h GLU 94 Ca -0.32 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.40 2jf0 h GLU 94 Cb 1.20 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.33 2jf0 h GLU 94 CO 0.45 0.25 1.46 0.34 -1.00 0.00 0.00 179.01 180.52 2jf0 s ASP 95 N -6.28 6.61 0.00 1.42 2.15 -1.26 -4.07 116.67 115.25 2jf0 s ASP 95 Ca 0.04 -1.81 0.00 0.00 0.43 0.00 0.00 52.55 51.21 2jf0 s ASP 95 Cb 0.07 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 2jf0 s ASP 95 CO 0.69 -1.32 0.28 0.00 -0.17 0.00 0.00 175.17 174.65 2jf0 n LEU 97 N 0.00 6.21 -4.34 0.00 4.77 -1.26 -4.50 117.00 117.88 2jf0 n LEU 97 Ca 0.00 -4.21 -0.18 0.00 -0.03 0.00 0.00 56.01 51.59 2jf0 n LEU 97 Cb 0.46 -1.64 -0.10 0.00 -2.33 0.00 0.00 43.42 39.81 2jf0 n LEU 97 CO 0.00 0.89 -0.44 -0.31 -1.33 0.00 0.00 177.39 176.21 2jf0 s TYR 98 N 2.76 1.69 0.17 -1.77 2.02 -1.26 -2.03 117.35 118.93 2jf0 s TYR 98 Ca 0.47 -0.59 -0.00 0.00 -0.37 0.00 0.00 57.07 56.58 2jf0 s TYR 98 Cb 0.09 -0.79 -0.04 0.00 -0.40 0.00 0.00 41.96 40.82 2jf0 s TYR 98 CO -0.02 0.34 0.07 -0.48 -1.57 0.00 0.00 175.55 173.88 2jf0 s LEU 99 N -3.31 1.70 -0.02 -1.29 0.05 0.14 -0.07 118.68 115.89 2jf0 s LEU 99 Ca 0.22 -1.26 0.04 0.00 0.05 0.00 0.00 54.13 53.18 2jf0 s LEU 99 Cb -0.00 0.19 -0.01 0.00 -2.05 0.00 0.00 46.19 44.32 2jf0 s LEU 99 CO 0.07 -0.72 -0.14 0.20 -0.55 0.00 0.00 176.35 175.21 2jf0 s ASN 100 N -3.14 1.64 -0.08 1.48 0.01 0.35 -0.44 114.94 114.75 2jf0 s ASN 100 Ca 0.29 -0.25 0.03 0.00 -0.71 0.00 0.00 52.86 52.22 2jf0 s ASN 100 Cb 0.07 -0.23 0.00 0.00 0.41 0.00 0.00 41.25 41.50 2jf0 s ASN 100 CO 0.06 0.16 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.93 2jf0 s VAL 101 N -0.24 1.70 -0.07 1.60 1.01 0.22 -0.66 120.40 123.95 2jf0 s VAL 101 Ca 0.04 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.23 2jf0 s VAL 101 Cb -0.06 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 2jf0 s VAL 101 CO -0.00 0.48 -0.14 0.26 0.00 0.00 0.00 175.10 175.70 2jf0 s TRP 102 N 0.44 2.73 0.05 5.22 0.51 0.11 0.55 118.94 128.54 2jf0 s TRP 102 Ca -0.16 -0.32 -0.00 0.00 -2.12 0.00 0.00 56.10 53.49 2jf0 s TRP 102 Cb -0.17 -1.69 -0.03 0.00 -0.81 0.00 0.00 33.47 30.76 2jf0 s TRP 102 CO 0.07 0.05 -0.04 0.95 -0.51 0.00 0.00 176.95 177.47 2jf0 s THR 103 N -0.38 0.28 0.86 2.01 -4.23 -0.13 -0.26 115.64 113.78 2jf0 s THR 103 Ca 0.04 -1.47 -0.15 0.00 -1.18 0.00 0.00 61.69 58.93 2jf0 s THR 103 Cb -0.12 -1.05 -0.04 0.00 1.34 0.00 0.00 72.50 72.62 2jf0 s THR 103 CO 0.02 -0.76 0.13 -2.65 -0.54 0.00 0.00 174.62 170.82 2jf0 n PRO 104 N 0.70 -0.02 -3.90 3.99 -0.02 -1.26 -0.40 135.00 134.09 2jf0 n PRO 104 Ca -0.18 0.03 -0.28 0.00 -2.02 0.00 0.00 63.50 61.05 2jf0 n PRO 104 Cb 0.58 -1.59 -0.17 0.00 -0.02 0.00 0.00 33.50 32.31 2jf0 n PRO 104 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2jf0 s TYR 105 N -2.13 1.66 0.83 6.00 5.04 -1.23 -2.55 117.35 124.98 2jf0 s TYR 105 Ca 0.56 -0.98 -0.11 0.00 -2.44 0.00 0.00 57.07 54.10 2jf0 s TYR 105 Cb -0.27 -1.30 0.09 0.00 0.35 0.00 0.00 41.96 40.83 2jf0 s TYR 105 CO 0.68 -0.59 1.10 -2.14 -1.34 0.00 0.00 175.55 173.26 2jf0 s PRO 106 N 1.65 1.74 0.32 4.97 0.02 -1.26 -4.70 135.00 137.74 2jf0 s PRO 106 Ca 0.02 1.20 -0.29 0.00 0.02 0.00 0.00 61.00 61.95 2jf0 s PRO 106 Cb -0.14 -1.84 -0.12 0.00 0.02 0.00 0.00 34.50 32.42 2jf0 s PRO 106 CO -0.08 -2.02 1.41 0.54 -0.33 0.00 0.00 177.00 176.53 2jf0 n ARG 107 N -3.78 2.35 -1.61 5.54 1.74 -1.06 -4.83 116.66 115.03 2jf0 n ARG 107 Ca 0.09 0.83 -0.46 0.00 -0.77 0.00 0.00 57.85 57.54 2jf0 n ARG 107 Cb 0.53 -2.50 -0.02 0.00 -1.02 0.00 0.00 32.46 29.45 2jf0 n ARG 107 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2jf0 n PRO 108 N 1.06 1.45 0.04 5.56 -0.04 -1.26 -4.89 135.00 136.92 2jf0 n PRO 108 Ca 0.06 0.51 -0.12 0.00 -0.04 0.00 0.00 63.50 63.91 2jf0 n PRO 108 Cb 0.36 -1.99 -0.07 0.00 -0.04 0.00 0.00 33.50 31.77 2jf0 n PRO 108 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jf0 h ALA 109 N 2.84 -0.00 -3.23 0.55 0.00 -1.93 -3.43 119.26 114.05 2jf0 h ALA 109 Ca -0.42 0.01 -0.64 0.00 0.00 0.00 0.00 54.91 53.85 2jf0 h ALA 109 Cb 1.33 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 19.05 2jf0 h ALA 109 CO 0.66 -0.51 -0.62 -1.54 0.00 0.00 0.00 179.25 177.25 2jf0 s SER 110 N -5.17 5.38 -0.06 0.00 1.04 -1.26 -5.05 113.70 108.57 2jf0 s SER 110 Ca -0.13 -0.06 -0.39 0.00 0.48 0.00 0.00 55.95 55.86 2jf0 s SER 110 Cb 0.06 -1.40 -0.17 0.00 0.10 0.00 0.00 66.02 64.62 2jf0 s SER 110 CO 0.66 0.17 1.46 -0.81 0.98 0.00 0.00 173.24 175.71 2jf0 n PRO 111 N 0.50 1.01 -4.51 4.02 -0.04 -1.26 -4.89 135.00 129.84 2jf0 n PRO 111 Ca -0.09 0.37 -0.34 0.00 -0.04 0.00 0.00 63.50 63.39 2jf0 n PRO 111 Cb 0.52 -2.01 -0.11 0.00 -0.04 0.00 0.00 33.50 31.86 2jf0 n PRO 111 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2jf0 s THR 112 N 1.55 3.95 0.19 0.52 2.01 0.12 -4.67 115.64 119.30 2jf0 s THR 112 Ca 0.90 -0.38 -0.33 0.00 0.31 0.00 0.00 61.69 62.20 2jf0 s THR 112 Cb -1.04 -2.64 -0.14 0.00 0.01 0.00 0.00 72.50 68.68 2jf0 s THR 112 CO 0.55 0.59 1.36 -2.65 -0.69 0.00 0.00 174.62 173.78 2jf0 n PRO 113 N 2.36 1.71 -3.69 4.92 -0.02 -1.26 0.67 135.00 139.68 2jf0 n PRO 113 Ca -0.18 0.61 -0.36 0.00 -2.02 0.00 0.00 63.50 61.55 2jf0 n PRO 113 Cb 0.53 -2.24 -0.08 0.00 -0.02 0.00 0.00 33.50 31.69 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 0.15 5.39 -0.23 -1.45 1.01 0.25 -3.14 120.40 122.38 2jf0 s VAL 114 Ca 0.73 0.29 -0.06 0.00 0.00 0.00 0.00 61.98 62.94 2jf0 s VAL 114 Cb -0.75 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 2jf0 s VAL 114 CO 0.48 0.44 0.03 -0.76 0.00 0.00 0.00 175.10 175.29 2jf0 s LEU 115 N 0.25 3.28 -0.27 3.92 1.43 0.15 -0.12 118.68 127.31 2jf0 s LEU 115 Ca 0.11 -0.24 -0.09 0.00 -1.03 0.00 0.00 54.13 52.88 2jf0 s LEU 115 Cb -0.12 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 2jf0 s LEU 115 CO 0.00 -0.00 0.13 -0.63 0.23 0.00 0.00 176.35 176.08 2jf0 s ILE 116 N 1.41 4.72 -0.02 -0.59 1.01 0.17 0.29 121.20 128.19 2jf0 s ILE 116 Ca 0.05 -0.11 -0.20 0.00 0.00 0.00 0.00 60.65 60.39 2jf0 s ILE 116 Cb -0.15 -3.27 -0.05 0.00 0.01 0.00 0.00 42.46 39.01 2jf0 s ILE 116 CO 0.02 0.25 0.59 0.86 0.00 0.00 0.00 174.94 176.66 2jf0 s TRP 117 N 1.66 3.66 -0.27 3.97 -0.11 0.33 0.42 118.94 128.60 2jf0 s TRP 117 Ca 0.06 1.18 0.02 0.00 1.22 0.00 0.00 56.10 58.59 2jf0 s TRP 117 Cb -0.16 -2.61 0.07 0.00 -1.50 0.00 0.00 33.47 29.27 2jf0 s TRP 117 CO 0.07 0.33 -0.05 0.42 -4.62 0.00 0.00 176.95 173.09 2jf0 s ILE 118 N -0.08 1.95 0.85 5.86 1.01 0.55 -3.57 121.20 127.77 2jf0 s ILE 118 Ca 0.31 -1.65 -0.11 0.00 0.00 0.00 0.00 60.65 59.19 2jf0 s ILE 118 Cb -0.18 -2.20 0.11 0.00 0.01 0.00 0.00 42.46 40.20 2jf0 s ILE 118 CO 0.17 -0.20 1.16 -0.72 0.00 0.00 0.00 174.94 175.35 2jf0 s TYR 119 N 1.17 1.85 0.00 3.97 -0.85 -1.26 -3.39 117.35 118.83 2jf0 s TYR 119 Ca -0.03 1.72 0.00 0.00 -0.52 0.00 0.00 57.07 58.23 2jf0 s TYR 119 Cb -0.19 -3.34 0.00 0.00 0.38 0.00 0.00 41.96 38.80 2jf0 s TYR 119 CO -0.07 -2.64 0.00 0.41 -1.52 0.00 0.00 175.55 171.73 2jf0 n GLY 120 N 0.08 1.83 0.00 5.49 0.00 -1.11 -2.82 105.19 108.66 2jf0 n GLY 120 Ca 0.12 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 44.03 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 0.68 2.64 -0.02 0.00 -1.26 -4.07 105.19 108.16 2jf0 n GLY 121 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 0.64 3.10 -0.02 0.00 -1.26 -0.79 105.19 106.85 2jf0 n GLY 122 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.36 0.00 0.26 1.61 3.72 -1.26 -4.75 117.46 114.68 2jf0 n PHE 123 Ca -0.05 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.38 2jf0 n PHE 123 Cb 0.42 -0.15 0.04 0.00 -0.94 0.00 0.00 39.48 38.85 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 -2.00 0.03 -3.88 1.38 0.18 -0.70 0.19 117.16 112.36 2jf0 n TYR 124 Ca 0.00 -0.05 -0.10 0.00 1.88 0.00 0.00 57.90 59.62 2jf0 n TYR 124 Cb 0.00 -0.00 0.01 0.00 -0.38 0.00 0.00 39.34 38.96 2jf0 n TYR 124 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 2jf0 s SER 125 N -0.65 0.24 0.00 9.48 1.04 0.03 -3.55 113.70 120.28 2jf0 s SER 125 Ca 0.09 -1.23 0.00 0.00 0.48 0.00 0.00 55.95 55.30 2jf0 s SER 125 Cb 0.06 0.80 0.00 0.00 0.10 0.00 0.00 66.02 66.99 2jf0 s SER 125 CO 0.09 -1.59 0.00 0.61 0.98 0.00 0.00 173.24 173.34 2jf0 n GLY 126 N -0.54 2.77 3.63 7.32 0.00 -1.26 -4.05 105.19 113.06 2jf0 n GLY 126 Ca -0.06 -2.10 -0.09 0.00 0.00 0.00 0.00 46.02 43.77 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 -2.31 -1.99 -1.60 4.61 0.00 -1.26 -4.60 121.76 114.62 2jf0 s ALA 127 Ca 0.00 1.83 0.26 0.00 0.00 0.00 0.00 51.96 54.05 2jf0 s ALA 127 Cb 0.00 -1.39 1.36 0.00 0.00 0.00 0.00 23.12 23.09 2jf0 s ALA 127 CO 0.00 -0.23 1.87 0.00 0.00 0.00 0.00 175.76 177.40 2jf0 n ALA 128 N 2.02 2.33 1.06 0.00 0.00 -1.26 -3.30 120.51 121.36 2jf0 n ALA 128 Ca -0.12 -0.13 0.11 0.00 0.00 0.00 0.00 53.44 53.30 2jf0 n ALA 128 Cb 0.56 -1.42 0.12 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.20 1.12 -4.67 0.00 3.41 -1.26 -4.80 113.62 106.21 2jf0 n SER 129 Ca 0.14 -0.90 -0.40 0.00 -0.26 0.00 0.00 58.87 57.45 2jf0 n SER 129 Cb 0.17 0.48 0.02 0.00 -0.26 0.00 0.00 64.21 64.61 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 -0.95 3.74 -0.31 1.04 4.77 -1.21 -4.89 117.00 119.19 2jf0 n LEU 130 Ca 0.08 1.04 0.11 0.00 -0.03 0.00 0.00 56.01 57.21 2jf0 n LEU 130 Cb 0.37 -1.45 0.33 0.00 -2.33 0.00 0.00 43.42 40.34 2jf0 n LEU 130 CO 0.33 -1.00 1.22 0.44 -1.33 0.00 0.00 177.39 177.05 2jf0 h ASP 131 N 1.70 0.75 0.33 -1.43 3.32 -1.93 0.17 116.42 119.33 2jf0 h ASP 131 Ca -0.47 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.63 2jf0 h ASP 131 Cb 1.31 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.77 2jf0 h ASP 131 CO 0.58 0.36 0.00 -0.37 -1.72 0.00 0.00 179.24 178.09 2jf0 h VAL 132 N 0.78 0.00 -0.55 -1.35 -1.51 -1.90 -2.17 116.25 109.55 2jf0 h VAL 132 Ca 0.49 -0.14 0.00 0.00 -1.23 0.00 0.00 66.70 65.82 2jf0 h VAL 132 Cb 0.70 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 30.77 2jf0 h VAL 132 CO -0.25 0.00 0.00 -1.22 -1.23 0.00 0.00 177.57 174.87 2jf0 n TYR 133 N -2.64 1.30 -1.63 5.19 4.01 0.61 -4.41 117.16 119.58 2jf0 n TYR 133 Ca -0.01 -0.64 -0.43 0.00 -0.16 0.00 0.00 57.90 56.67 2jf0 n TYR 133 Cb 0.13 -0.23 -0.03 0.00 -0.31 0.00 0.00 39.34 38.90 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 -1.06 5.62 0.00 7.72 -1.08 -0.82 -4.82 116.67 122.23 2jf0 s ASP 134 Ca 0.46 2.00 0.25 0.00 -0.52 0.00 0.00 52.55 54.74 2jf0 s ASP 134 Cb 0.31 -2.51 1.26 0.00 -1.46 0.00 0.00 42.92 40.52 2jf0 s ASP 134 CO 0.21 -1.82 1.82 0.61 0.52 0.00 0.00 175.17 176.52 2jf0 n GLY 135 N 5.56 -1.06 0.31 2.66 0.00 -1.26 -4.07 105.19 107.33 2jf0 n GLY 135 Ca 0.28 -0.12 0.02 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 0.84 -0.12 1.61 0.11 -1.90 -1.34 114.38 113.58 2jf0 h ARG 136 Ca 0.00 -0.05 -0.02 0.00 0.10 0.00 0.00 59.98 60.01 2jf0 h ARG 136 Cb 0.21 -0.19 -0.00 0.00 1.11 0.00 0.00 29.97 31.09 2jf0 h ARG 136 CO 0.00 0.55 -0.01 0.74 0.10 0.00 0.00 179.97 181.36 2jf0 h PHE 137 N 0.86 0.24 -0.87 4.08 0.04 -1.76 0.38 116.94 119.91 2jf0 h PHE 137 Ca 0.38 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 61.09 2jf0 h PHE 137 Cb 0.27 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.32 2jf0 h PHE 137 CO -0.05 0.47 0.49 -0.07 -0.60 0.00 0.00 178.31 178.55 2jf0 h LEU 138 N -0.06 1.08 0.21 1.54 3.38 -1.67 0.62 115.31 120.40 2jf0 h LEU 138 Ca 0.03 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2jf0 h LEU 138 Cb 0.38 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2jf0 h LEU 138 CO 0.01 0.86 -0.10 0.00 0.09 0.00 0.00 178.44 179.30 2jf0 h ALA 139 N 1.32 -0.28 0.22 1.53 0.00 -0.97 -0.75 119.26 120.33 2jf0 h ALA 139 Ca 0.31 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2jf0 h ALA 139 Cb 0.01 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2jf0 h ALA 139 CO -0.05 -0.61 -0.11 0.37 0.00 0.00 0.00 179.25 178.86 2jf0 h GLN 140 N -0.38 -0.29 0.04 0.00 -0.00 0.10 -1.40 115.11 113.18 2jf0 h GLN 140 Ca -0.03 0.02 -0.10 0.00 -0.00 0.00 0.00 58.65 58.54 2jf0 h GLN 140 Cb 0.29 0.07 0.01 0.00 0.00 0.00 0.00 27.48 27.85 2jf0 h GLN 140 CO 0.05 0.09 -0.42 0.28 0.00 0.00 0.00 178.83 178.83 2jf0 h VAL 141 N -0.81 1.56 -0.01 2.39 2.07 0.13 -3.28 116.25 118.30 2jf0 h VAL 141 Ca -0.03 -2.21 0.00 0.00 0.82 0.00 0.00 66.70 65.28 2jf0 h VAL 141 Cb 0.51 2.98 0.00 0.00 -1.52 0.00 0.00 31.29 33.26 2jf0 h VAL 141 CO 0.05 0.61 -0.20 -0.62 0.02 0.00 0.00 177.57 177.43 2jf0 n GLU 142 N -4.37 1.34 -1.34 1.57 -0.58 -0.37 -4.92 120.64 111.96 2jf0 n GLU 142 Ca -0.11 -0.92 -0.12 0.00 -0.42 0.00 0.00 57.16 55.59 2jf0 n GLU 142 Cb 0.62 -1.48 -0.05 0.00 -0.57 0.00 0.00 31.44 29.95 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 1.31 1.22 3.79 0.62 0.00 -0.53 -4.96 105.19 106.65 2jf0 n GLY 143 Ca 0.14 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.23 2.92 -0.23 4.61 0.00 -0.73 -4.62 121.76 121.48 2jf0 s ALA 144 Ca 0.00 0.64 -0.16 0.00 0.00 0.00 0.00 51.96 52.44 2jf0 s ALA 144 Cb 0.00 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 2jf0 s ALA 144 CO 0.00 -0.30 0.41 0.08 0.00 0.00 0.00 175.76 175.94 2jf0 s VAL 145 N -1.89 5.17 -0.09 0.00 1.01 -1.19 -3.76 120.40 119.65 2jf0 s VAL 145 Ca 0.65 0.69 0.04 0.00 0.00 0.00 0.00 61.98 63.36 2jf0 s VAL 145 Cb -0.18 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.47 2jf0 s VAL 145 CO 0.22 0.19 -0.22 -0.22 0.00 0.00 0.00 175.10 175.08 2jf0 s LEU 146 N 1.72 2.00 -0.09 3.92 0.20 0.64 0.30 118.68 127.37 2jf0 s LEU 146 Ca 0.18 -0.50 0.03 0.00 0.69 0.00 0.00 54.13 54.53 2jf0 s LEU 146 Cb -0.15 -1.29 0.00 0.00 -0.43 0.00 0.00 46.19 44.32 2jf0 s LEU 146 CO 0.09 0.14 -0.21 -0.69 -0.29 0.00 0.00 176.35 175.39 2jf0 s VAL 147 N 0.36 1.81 -0.01 1.68 1.01 0.15 0.06 120.40 125.47 2jf0 s VAL 147 Ca -0.17 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 60.98 2jf0 s VAL 147 Cb -0.17 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.61 2jf0 s VAL 147 CO 0.08 0.51 -0.13 -0.94 0.00 0.00 0.00 175.10 174.61 2jf0 s SER 148 N 0.46 1.49 0.15 3.32 1.04 0.16 0.12 113.70 120.44 2jf0 s SER 148 Ca -0.17 -0.24 0.10 0.00 0.48 0.00 0.00 55.95 56.12 2jf0 s SER 148 Cb -0.17 -0.16 -0.04 0.00 0.10 0.00 0.00 66.02 65.74 2jf0 s SER 148 CO 0.07 0.15 -0.23 0.00 0.98 0.00 0.00 173.24 174.21 2jf0 s MET 149 N -0.35 1.56 0.21 4.02 0.23 -1.23 0.13 119.30 123.87 2jf0 s MET 149 Ca 0.05 -1.35 -0.25 0.00 -1.03 0.00 0.00 55.69 53.10 2jf0 s MET 149 Cb -0.05 -1.95 -0.08 0.00 -1.53 0.00 0.00 34.83 31.21 2jf0 s MET 149 CO -0.00 0.44 0.82 -0.80 -2.03 0.00 0.00 175.02 173.45 2jf0 s ASN 150 N -2.28 7.38 0.09 -1.18 0.01 0.90 -4.29 114.94 115.57 2jf0 s ASN 150 Ca 0.17 1.69 0.03 0.00 -0.71 0.00 0.00 52.86 54.05 2jf0 s ASN 150 Cb -0.10 -2.52 -0.03 0.00 0.41 0.00 0.00 41.25 39.01 2jf0 s ASN 150 CO 0.08 0.14 -0.10 -0.72 -1.51 0.00 0.00 177.10 175.00 2jf0 s TYR 151 N -1.27 0.98 0.21 2.20 1.13 -1.26 -4.38 117.35 114.95 2jf0 s TYR 151 Ca 0.40 -0.65 -0.30 0.00 -1.41 0.00 0.00 57.07 55.11 2jf0 s TYR 151 Cb -0.22 -0.55 -0.08 0.00 -1.10 0.00 0.00 41.96 40.01 2jf0 s TYR 151 CO 0.26 -0.03 1.23 1.03 -2.51 0.00 0.00 175.55 175.53 2jf0 s ARG 152 N -2.63 4.46 0.43 -3.49 0.52 -1.26 -4.76 118.95 112.23 2jf0 s ARG 152 Ca 0.03 1.94 0.06 0.00 -0.52 0.00 0.00 55.73 57.24 2jf0 s ARG 152 Cb -0.04 -3.21 -0.05 0.00 0.52 0.00 0.00 34.95 32.17 2jf0 s ARG 152 CO -0.00 -0.12 0.12 0.14 0.02 0.00 0.00 175.30 175.46 2jf0 s VAL 153 N -0.16 2.02 0.00 3.52 -7.23 -1.26 -3.84 120.40 113.45 2jf0 s VAL 153 Ca 0.53 -1.82 0.00 0.00 -1.81 0.00 0.00 61.98 58.88 2jf0 s VAL 153 Cb -0.34 -2.83 0.00 0.00 0.56 0.00 0.00 36.38 33.76 2jf0 s VAL 153 CO 0.38 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.78 2jf0 n GLY 154 N -1.19 -0.09 0.17 2.32 0.00 0.49 -1.98 105.19 104.90 2jf0 n GLY 154 Ca -0.05 -0.99 -0.04 0.00 0.00 0.00 0.00 46.02 44.94 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 0.65 -0.70 2.61 1.35 -1.88 0.15 112.91 115.10 2jf0 h THR 155 Ca 0.00 -0.02 0.14 0.00 -0.55 0.00 0.00 66.41 65.97 2jf0 h THR 155 Cb 0.00 0.58 -0.04 0.00 -1.73 0.00 0.00 68.15 66.95 2jf0 h THR 155 CO 0.00 0.01 0.47 -0.26 -0.25 0.00 0.00 175.52 175.49 2jf0 h PHE 156 N 0.07 0.42 0.00 4.73 0.04 -1.87 0.38 116.94 120.72 2jf0 h PHE 156 Ca 0.20 0.01 -0.15 0.00 2.80 0.00 0.00 57.97 60.84 2jf0 h PHE 156 Cb 0.30 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.29 2jf0 h PHE 156 CO -0.30 0.17 -1.76 0.41 -0.60 0.00 0.00 178.31 176.23 2jf0 n GLY 157 N -1.53 -1.13 0.00 -1.45 0.00 -0.82 -4.08 105.19 96.19 2jf0 n GLY 157 Ca 0.13 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2jf0 n GLY 157 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jf0 n PHE 158 N -2.65 0.00 -1.68 1.61 3.72 0.46 -0.51 117.46 118.41 2jf0 n PHE 158 Ca -0.12 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 56.82 2jf0 n PHE 158 Cb 0.80 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.30 2jf0 n PHE 158 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 2jf0 n LEU 159 N -0.13 3.65 -3.92 4.37 0.00 0.12 -4.46 117.00 116.62 2jf0 n LEU 159 Ca 0.00 0.99 -0.22 0.00 0.00 0.00 0.00 56.01 56.77 2jf0 n LEU 159 Cb 0.05 -1.45 -0.17 0.00 0.00 0.00 0.00 43.42 41.86 2jf0 n LEU 159 CO 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 177.39 176.96 2jf0 s ALA 160 N 3.17 0.93 -0.89 1.96 0.00 -1.26 -4.18 121.76 121.50 2jf0 s ALA 160 Ca 0.87 -0.23 -0.06 0.00 0.00 0.00 0.00 51.96 52.54 2jf0 s ALA 160 Cb -0.60 -0.55 0.22 0.00 0.00 0.00 0.00 23.12 22.19 2jf0 s ALA 160 CO 0.44 -0.07 0.80 -0.51 0.00 0.00 0.00 175.76 176.42 2jf0 s LEU 161 N 1.03 5.93 0.20 0.00 1.43 0.78 -3.69 118.68 124.37 2jf0 s LEU 161 Ca -0.09 -3.34 -0.33 0.00 -1.03 0.00 0.00 54.13 49.35 2jf0 s LEU 161 Cb -0.14 -2.03 -0.14 0.00 0.03 0.00 0.00 46.19 43.91 2jf0 s LEU 161 CO -0.00 -0.32 1.49 -2.65 0.23 0.00 0.00 176.35 175.10 2jf0 n PRO 162 N 2.95 2.09 0.00 1.29 -0.02 -1.26 -0.78 135.00 139.27 2jf0 n PRO 162 Ca 0.18 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 2jf0 n PRO 162 Cb 0.40 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 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 2.76 2.56 3.67 -1.23 0.00 -1.26 -5.04 105.19 106.65 2jf0 n GLY 163 Ca 0.14 -0.40 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 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 0.21 3.01 -0.08 1.61 1.04 0.04 -4.96 113.70 114.56 2jf0 s SER 164 Ca 0.00 1.63 0.15 0.00 0.48 0.00 0.00 55.95 58.21 2jf0 s SER 164 Cb 0.00 -2.28 -0.23 0.00 0.10 0.00 0.00 66.02 63.61 2jf0 s SER 164 CO 0.00 -2.95 0.48 -1.14 0.98 0.00 0.00 173.24 170.61 2jf0 n ARG 165 N -4.10 0.65 0.07 4.02 0.63 -1.26 -3.95 116.66 112.72 2jf0 n ARG 165 Ca 0.07 0.18 0.12 0.00 -0.92 0.00 0.00 57.85 57.30 2jf0 n ARG 165 Cb 0.54 -1.70 0.09 0.00 0.45 0.00 0.00 32.46 31.84 2jf0 n ARG 165 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2jf0 h GLU 166 N 0.00 0.00 -0.68 -0.14 3.07 -1.92 -3.39 114.58 111.51 2jf0 h GLU 166 Ca -0.35 0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 58.17 2jf0 h GLU 166 Cb 2.04 0.00 -0.23 0.00 -0.84 0.00 0.00 28.75 29.72 2jf0 h GLU 166 CO 0.06 0.00 -0.70 0.00 -1.40 0.00 0.00 179.01 176.97 2jf0 n ALA 167 N -1.95 -0.07 0.30 3.43 0.00 -1.26 -4.06 120.51 116.90 2jf0 n ALA 167 Ca 0.02 -2.09 0.18 0.00 0.00 0.00 0.00 53.44 51.55 2jf0 n ALA 167 Cb 0.48 -1.15 0.79 0.00 0.00 0.00 0.00 19.45 19.57 2jf0 n ALA 167 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2jf0 h PRO 168 N 3.88 0.00 0.00 0.00 0.13 -1.72 0.22 132.00 134.52 2jf0 h PRO 168 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2jf0 h PRO 168 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2jf0 h PRO 168 CO 0.36 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.54 2jf0 n GLY 169 N -0.30 -0.30 2.28 1.56 0.00 -1.26 -4.62 105.19 102.55 2jf0 n GLY 169 Ca -0.00 -1.72 -0.17 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.19 -4.40 0.24 1.61 3.02 -1.26 -4.84 115.26 108.44 2jf0 n ASN 170 Ca 0.00 0.41 0.10 0.00 -0.03 0.00 0.00 54.58 55.06 2jf0 n ASN 170 Cb 0.00 -3.98 0.58 0.00 -0.61 0.00 0.00 39.78 35.77 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 0.73 -0.38 2.41 -1.51 -1.65 -0.22 116.25 115.63 2jf0 h VAL 171 Ca -0.34 -0.85 -0.10 0.00 -1.23 0.00 0.00 66.70 64.19 2jf0 h VAL 171 Cb 1.09 1.52 -0.02 0.00 -2.13 0.00 0.00 31.29 31.76 2jf0 h VAL 171 CO 0.50 0.20 -0.16 1.23 -1.23 0.00 0.00 177.57 178.11 2jf0 h GLY 172 N 1.20 0.76 1.87 5.19 0.00 -0.97 0.52 103.07 111.63 2jf0 h GLY 172 Ca -0.00 -0.59 -0.07 0.00 0.00 0.00 0.00 47.33 46.66 2jf0 h GLY 172 CO 0.03 0.54 -0.27 1.41 0.00 0.00 0.00 176.54 178.25 2jf0 h LEU 173 N 0.63 0.16 -0.17 3.11 3.38 -1.34 -2.14 115.31 118.94 2jf0 h LEU 173 Ca 0.10 -0.05 -0.23 0.00 0.09 0.00 0.00 57.88 57.80 2jf0 h LEU 173 Cb 0.63 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.34 2jf0 h LEU 173 CO 0.04 0.43 -0.92 -0.07 0.09 0.00 0.00 178.44 178.01 2jf0 h LEU 174 N 0.15 0.63 -0.27 1.67 3.38 -0.01 0.21 115.31 121.07 2jf0 h LEU 174 Ca 0.02 -0.49 0.05 0.00 0.09 0.00 0.00 57.88 57.56 2jf0 h LEU 174 Cb 0.55 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 2jf0 h LEU 174 CO 0.04 1.28 -0.05 0.44 0.09 0.00 0.00 178.44 180.24 2jf0 h ASP 175 N 0.29 -0.22 -0.46 -0.43 3.32 0.14 0.38 116.42 119.44 2jf0 h ASP 175 Ca -0.08 0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.06 2jf0 h ASP 175 Cb 1.56 0.15 -0.03 0.00 0.22 0.00 0.00 39.33 41.23 2jf0 h ASP 175 CO 0.17 -0.07 0.29 1.56 -1.72 0.00 0.00 179.24 179.46 2jf0 h GLN 176 N 0.02 0.56 -0.71 3.56 4.20 -1.02 0.74 115.11 122.47 2jf0 h GLN 176 Ca 0.13 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.76 2jf0 h GLN 176 Cb 0.19 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 2jf0 h GLN 176 CO -0.27 0.37 0.27 -0.09 -0.67 0.00 0.00 178.83 178.45 2jf0 h ARG 177 N 0.58 1.06 -0.87 1.46 2.43 -0.22 0.03 114.38 118.85 2jf0 h ARG 177 Ca 0.18 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 2jf0 h ARG 177 Cb -0.02 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.32 2jf0 h ARG 177 CO -0.06 0.88 0.49 1.25 -1.51 0.00 0.00 179.97 181.02 2jf0 h LEU 178 N 1.01 1.07 -1.13 3.80 5.85 0.71 0.31 115.31 126.93 2jf0 h LEU 178 Ca 0.23 -0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.79 2jf0 h LEU 178 Cb 0.22 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 2jf0 h LEU 178 CO -0.02 0.85 -0.22 0.00 -0.34 0.00 0.00 178.44 178.71 2jf0 h ALA 179 N 1.27 1.28 -0.44 1.25 0.00 -0.42 0.39 119.26 122.57 2jf0 h ALA 179 Ca 0.31 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 2jf0 h ALA 179 Cb 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2jf0 h ALA 179 CO -0.05 0.48 -0.18 -0.07 0.00 0.00 0.00 179.25 179.43 2jf0 h LEU 180 N 0.30 0.92 -0.37 0.00 3.38 0.66 -1.20 115.31 119.00 2jf0 h LEU 180 Ca 0.05 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 2jf0 h LEU 180 Cb 0.57 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2jf0 h LEU 180 CO 0.04 1.10 0.18 1.56 0.09 0.00 0.00 178.44 181.41 2jf0 h GLN 181 N 0.73 0.54 -0.99 1.13 4.20 0.20 -0.38 115.11 120.54 2jf0 h GLN 181 Ca 0.10 -0.08 0.17 0.00 0.06 0.00 0.00 58.65 58.91 2jf0 h GLN 181 Cb 0.74 -0.10 -0.09 0.00 0.30 0.00 0.00 27.48 28.33 2jf0 h GLN 181 CO 0.06 0.48 0.61 2.35 -0.67 0.00 0.00 178.83 181.66 2jf0 h TRP 182 N 0.46 1.00 -0.07 2.96 7.01 -0.10 -0.56 115.95 126.65 2jf0 h TRP 182 Ca 0.13 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.12 2jf0 h TRP 182 Cb 0.12 -0.31 -0.00 0.00 -2.10 0.00 0.00 29.16 26.87 2jf0 h TRP 182 CO -0.01 0.28 -0.11 0.28 -2.79 0.00 0.00 178.44 176.09 2jf0 h VAL 183 N 0.76 1.39 -0.69 2.65 2.07 0.13 0.17 116.25 122.74 2jf0 h VAL 183 Ca 0.54 -1.35 0.14 0.00 0.82 0.00 0.00 66.70 66.85 2jf0 h VAL 183 Cb 0.84 2.12 -0.13 0.00 -1.52 0.00 0.00 31.29 32.60 2jf0 h VAL 183 CO -0.32 0.38 -0.12 1.56 0.02 0.00 0.00 177.57 179.09 2jf0 h GLN 184 N -0.26 0.03 0.08 1.57 1.08 -0.50 0.26 115.11 117.36 2jf0 h GLN 184 Ca 0.01 -0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 56.95 2jf0 h GLN 184 Cb 0.66 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.08 2jf0 h GLN 184 CO 0.02 0.02 -1.13 1.49 -0.95 0.00 0.00 178.83 178.28 2jf0 h GLU 185 N 0.03 0.27 0.00 1.46 4.81 -0.89 -3.40 114.58 116.86 2jf0 h GLU 185 Ca 0.34 -0.40 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2jf0 h GLU 185 Cb 0.54 0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.06 2jf0 h GLU 185 CO -0.68 1.15 -1.27 0.09 -0.73 0.00 0.00 179.01 177.58 2jf0 n ASN 186 N -3.57 3.71 0.12 1.04 3.02 0.57 -4.70 115.26 115.45 2jf0 n ASN 186 Ca -0.07 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.59 2jf0 n ASN 186 Cb 0.96 1.19 0.61 0.00 -0.61 0.00 0.00 39.78 41.93 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 0.94 -0.05 2.41 6.09 -0.61 -0.54 117.51 125.75 2jf0 h ILE 187 Ca -0.02 -0.04 0.01 0.00 -1.37 0.00 0.00 64.86 63.44 2jf0 h ILE 187 Cb 0.38 0.80 -0.00 0.00 0.47 0.00 0.00 36.82 38.47 2jf0 h ILE 187 CO 0.00 0.02 0.03 0.00 -3.07 0.00 0.00 178.15 175.14 2jf0 h ALA 188 N 1.87 2.02 0.00 0.18 0.00 -1.73 0.22 119.26 121.82 2jf0 h ALA 188 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2jf0 h ALA 188 Cb 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2jf0 h ALA 188 CO -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.20 2jf0 h ALA 189 N 1.98 1.00 -0.01 0.00 0.00 -1.37 0.18 119.26 121.03 2jf0 h ALA 189 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2jf0 h ALA 189 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2jf0 h ALA 189 CO -0.00 0.00 -0.20 1.19 0.00 0.00 0.00 179.25 180.24 2jf0 n PHE 190 N -2.47 0.00 -0.36 0.00 3.01 0.63 -4.84 117.46 113.43 2jf0 n PHE 190 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 2jf0 n PHE 190 Cb 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.52 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 0.95 0.80 3.77 1.37 0.00 0.05 -4.31 105.19 107.82 2jf0 n GLY 191 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.91 2.95 -0.49 -0.02 0.00 -0.24 0.15 107.32 107.76 2jf0 s GLY 192 Ca 0.00 0.49 -0.18 0.00 0.00 0.00 0.00 44.72 45.03 2jf0 s GLY 192 CO 0.00 1.00 0.58 -0.35 0.00 0.00 0.00 173.10 174.33 2jf0 s ASP 193 N -1.31 6.21 0.11 1.64 -1.08 0.21 -2.73 116.67 119.73 2jf0 s ASP 193 Ca 0.42 -0.94 0.13 0.00 -0.52 0.00 0.00 52.55 51.63 2jf0 s ASP 193 Cb -0.23 -2.27 0.60 0.00 -1.46 0.00 0.00 42.92 39.57 2jf0 s ASP 193 CO 0.28 -0.83 1.41 -0.81 0.52 0.00 0.00 175.17 175.73 2jf0 n PRO 194 N 5.99 0.06 0.00 4.34 -0.04 -1.26 -0.32 135.00 143.77 2jf0 n PRO 194 Ca -0.07 0.43 0.13 0.00 -0.04 0.00 0.00 63.50 63.95 2jf0 n PRO 194 Cb 0.45 -1.66 0.31 0.00 -0.04 0.00 0.00 33.50 32.56 2jf0 n PRO 194 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2jf0 n MET 195 N -1.79 1.54 -3.52 0.54 2.81 -1.26 -4.31 117.12 111.12 2jf0 n MET 195 Ca 0.01 -1.07 -0.28 0.00 -1.81 0.00 0.00 57.70 54.56 2jf0 n MET 195 Cb 0.10 -1.48 -0.11 0.00 -0.71 0.00 0.00 33.22 31.03 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 -2.20 2.39 -0.26 7.83 0.15 0.57 -4.89 113.70 117.28 2jf0 s SER 196 Ca 0.29 -3.12 -0.01 0.00 0.70 0.00 0.00 55.95 53.81 2jf0 s SER 196 Cb 0.20 -0.71 0.03 0.00 -1.71 0.00 0.00 66.02 63.83 2jf0 s SER 196 CO 0.41 -0.17 -0.05 -0.69 1.20 0.00 0.00 173.24 173.94 2jf0 s VAL 197 N -0.13 2.87 -0.24 4.45 1.01 -1.26 0.88 120.40 127.98 2jf0 s VAL 197 Ca 0.29 -1.12 -0.08 0.00 0.00 0.00 0.00 61.98 61.07 2jf0 s VAL 197 Cb -0.02 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 2jf0 s VAL 197 CO -0.16 0.13 0.08 -0.89 0.00 0.00 0.00 175.10 174.26 2jf0 s THR 198 N 1.30 4.49 0.10 3.92 2.01 0.83 0.03 115.64 128.32 2jf0 s THR 198 Ca -0.01 -0.12 -0.27 0.00 0.31 0.00 0.00 61.69 61.60 2jf0 s THR 198 Cb -0.17 -3.09 -0.06 0.00 0.01 0.00 0.00 72.50 69.19 2jf0 s THR 198 CO -0.04 0.35 0.83 -0.76 -0.69 0.00 0.00 174.62 174.32 2jf0 s LEU 199 N 1.40 4.50 0.04 4.42 1.43 -0.08 0.44 118.68 130.83 2jf0 s LEU 199 Ca 0.05 1.61 0.01 0.00 -1.03 0.00 0.00 54.13 54.77 2jf0 s LEU 199 Cb -0.15 -3.37 -0.03 0.00 0.03 0.00 0.00 46.19 42.68 2jf0 s LEU 199 CO 0.04 0.04 -0.05 0.72 0.23 0.00 0.00 176.35 177.33 2jf0 s PHE 200 N -0.30 0.48 -0.11 0.29 -0.71 0.17 0.81 117.98 118.60 2jf0 s PHE 200 Ca 0.41 -0.63 -0.31 0.00 -1.04 0.00 0.00 56.93 55.35 2jf0 s PHE 200 Cb -0.22 -0.32 0.12 0.00 -1.21 0.00 0.00 43.02 41.40 2jf0 s PHE 200 CO 0.26 -0.18 1.02 0.20 -1.34 0.00 0.00 175.22 175.18 2jf0 s GLY 201 N -1.85 -0.33 -0.40 1.99 0.00 -1.06 -0.33 107.32 105.32 2jf0 s GLY 201 Ca -0.08 1.56 0.09 0.00 0.00 0.00 0.00 44.72 46.29 2jf0 s GLY 201 CO -0.02 0.64 1.07 -2.21 0.00 0.00 0.00 173.10 172.58 2jf0 n GLU 202 N 0.14 2.82 0.00 2.90 0.00 -1.22 -0.92 120.64 124.36 2jf0 n GLU 202 Ca -0.07 -4.16 0.00 0.00 0.00 0.00 0.00 57.16 52.93 2jf0 n GLU 202 Cb 0.60 -1.98 0.00 0.00 0.00 0.00 0.00 31.44 30.06 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 -0.38 0.00 -0.03 4.31 0.00 -1.26 -2.36 120.51 120.79 2jf0 n ALA 204 Ca 0.31 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.58 2jf0 n ALA 204 Cb 0.71 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.09 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 0.80 0.98 0.00 0.00 -1.65 0.22 103.07 103.41 2jf0 h GLY 205 Ca 0.00 -1.13 -0.07 0.00 0.00 0.00 0.00 47.33 46.13 2jf0 h GLY 205 CO 0.00 1.01 -0.01 0.00 0.00 0.00 0.00 176.54 177.54 2jf0 h ALA 206 N 0.53 0.60 -0.53 3.60 0.00 -1.36 0.25 119.26 122.35 2jf0 h ALA 206 Ca -0.05 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2jf0 h ALA 206 Cb 1.34 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 2jf0 h ALA 206 CO 0.15 0.39 0.34 0.00 0.00 0.00 0.00 179.25 180.13 2jf0 h ALA 207 N 0.90 0.67 -0.36 0.00 0.00 -1.70 -0.15 119.26 118.63 2jf0 h ALA 207 Ca 0.12 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.04 2jf0 h ALA 207 Cb 0.51 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 2jf0 h ALA 207 CO 0.02 0.12 0.10 0.77 0.00 0.00 0.00 179.25 180.27 2jf0 h SER 208 N 0.71 0.09 -0.46 0.00 0.02 -0.18 0.84 113.55 114.57 2jf0 h SER 208 Ca 0.19 0.05 0.04 0.00 -0.84 0.00 0.00 61.79 61.23 2jf0 h SER 208 Cb -0.07 0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 2jf0 h SER 208 CO -0.04 0.08 0.22 0.58 -1.14 0.00 0.00 176.83 176.53 2jf0 h VAL 209 N 0.24 0.94 -0.62 2.27 2.07 0.15 -0.28 116.25 121.02 2jf0 h VAL 209 Ca 0.17 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.55 2jf0 h VAL 209 Cb 0.16 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 2jf0 h VAL 209 CO -0.19 0.08 0.41 1.23 0.02 0.00 0.00 177.57 179.12 2jf0 h GLY 210 N 0.43 0.86 1.73 2.17 0.00 -0.12 -0.61 103.07 107.54 2jf0 h GLY 210 Ca 0.20 -0.31 -0.08 0.00 0.00 0.00 0.00 47.33 47.14 2jf0 h GLY 210 CO -0.16 0.30 -0.24 -0.33 0.00 0.00 0.00 176.54 176.11 2jf0 h MET 211 N 0.81 0.32 -0.20 4.80 2.86 0.81 -0.36 114.93 123.97 2jf0 h MET 211 Ca 0.23 -0.11 -0.19 0.00 -2.06 0.00 0.00 59.70 57.58 2jf0 h MET 211 Cb -0.04 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.59 2jf0 h MET 211 CO -0.06 0.55 -0.63 0.45 1.06 0.00 0.00 176.91 178.28 2jf0 h HIS 212 N 0.29 0.93 -0.90 -0.22 3.86 -0.05 0.76 115.15 119.81 2jf0 h HIS 212 Ca 0.05 -0.36 0.10 0.00 -1.16 0.00 0.00 60.37 58.99 2jf0 h HIS 212 Cb 0.59 -0.16 -0.07 0.00 1.06 0.00 0.00 27.41 28.83 2jf0 h HIS 212 CO 0.01 1.16 0.58 0.82 0.86 0.00 0.00 177.93 181.37 2jf0 h ILE 213 N 0.53 0.97 -0.01 2.45 2.04 -0.75 -2.56 117.51 120.18 2jf0 h ILE 213 Ca -0.01 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.54 2jf0 h ILE 213 Cb 1.23 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 2jf0 h ILE 213 CO 0.13 0.16 -0.10 0.18 0.00 0.00 0.00 178.15 178.52 2jf0 n LEU 214 N -4.53 1.12 -4.04 1.44 4.77 -0.19 -4.74 117.00 110.83 2jf0 n LEU 214 Ca 0.15 -0.33 -0.31 0.00 -0.03 0.00 0.00 56.01 55.49 2jf0 n LEU 214 Cb 0.31 -0.06 -0.16 0.00 -2.33 0.00 0.00 43.42 41.18 2jf0 n LEU 214 CO 0.31 0.20 -0.47 -0.55 -1.33 0.00 0.00 177.39 175.55 2jf0 s SER 215 N -2.23 3.79 0.12 -1.43 0.15 0.16 -4.71 113.70 109.56 2jf0 s SER 215 Ca 0.33 -1.07 -0.25 0.00 0.70 0.00 0.00 55.95 55.66 2jf0 s SER 215 Cb 0.20 -1.39 -0.06 0.00 -1.71 0.00 0.00 66.02 63.06 2jf0 s SER 215 CO 0.42 -0.14 1.44 -0.07 1.20 0.00 0.00 173.24 176.08 2jf0 h LEU 216 N 7.89 -1.69 -1.66 3.45 -0.00 -1.84 0.81 115.31 122.26 2jf0 h LEU 216 Ca -0.27 0.25 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 2jf0 h LEU 216 Cb 1.08 0.74 0.00 0.00 -0.00 0.00 0.00 40.66 42.48 2jf0 h LEU 216 CO 0.49 -0.22 0.38 -0.65 -0.00 0.00 0.00 178.44 178.45 2jf0 h PRO 217 N -0.08 0.00 0.00 1.13 0.11 -1.94 0.86 132.00 132.08 2jf0 h PRO 217 Ca 0.11 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.08 2jf0 h PRO 217 Cb 0.37 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.45 2jf0 h PRO 217 CO -0.69 0.00 -1.13 0.77 -0.21 0.00 0.00 178.00 176.74 2jf0 h SER 218 N 0.00 0.00 -1.00 -2.05 0.02 -1.08 -3.39 113.55 106.05 2jf0 h SER 218 Ca 0.00 0.00 0.11 0.00 -0.84 0.00 0.00 61.79 61.06 2jf0 h SER 218 Cb 0.77 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.23 2jf0 h SER 218 CO 0.00 0.55 0.63 0.03 -1.14 0.00 0.00 176.83 176.90 2jf0 h ARG 219 N 0.00 0.98 0.00 3.45 2.47 0.10 0.18 114.38 121.56 2jf0 h ARG 219 Ca -0.11 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.55 2jf0 h ARG 219 Cb 1.51 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 29.61 2jf0 h ARG 219 CO 0.05 0.65 0.00 -1.13 0.56 0.00 0.00 179.97 180.10 2jf0 n SER 220 N -4.59 0.00 -0.08 7.04 3.41 -1.25 -3.60 113.62 114.55 2jf0 n SER 220 Ca 0.18 0.01 0.11 0.00 -0.26 0.00 0.00 58.87 58.91 2jf0 n SER 220 Cb 0.33 -0.30 0.07 0.00 -0.26 0.00 0.00 64.21 64.04 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 -1.30 0.96 -3.89 1.04 4.77 0.62 -4.95 117.00 114.24 2jf0 n LEU 221 Ca 0.10 -0.34 -0.08 0.00 -0.03 0.00 0.00 56.01 55.66 2jf0 n LEU 221 Cb 0.18 -0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 41.14 2jf0 n LEU 221 CO 0.17 0.22 0.31 0.72 -1.33 0.00 0.00 177.39 177.48 2jf0 s PHE 222 N -2.89 0.05 0.00 -1.77 -0.71 -1.24 -4.81 117.98 106.62 2jf0 s PHE 222 Ca 0.12 -0.45 0.00 0.00 -1.04 0.00 0.00 56.93 55.56 2jf0 s PHE 222 Cb 0.17 0.43 0.00 0.00 -1.21 0.00 0.00 43.02 42.41 2jf0 s PHE 222 CO 0.74 -1.08 0.00 0.72 -1.34 0.00 0.00 175.22 174.27 2jf0 n HIS 223 N -0.40 0.00 -4.13 3.49 8.25 0.10 -4.89 115.22 117.64 2jf0 n HIS 223 Ca -0.04 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.33 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 -1.76 0.72 -0.07 -0.41 0.52 -1.12 -4.20 118.95 112.63 2jf0 s ARG 224 Ca 0.00 -1.27 -0.04 0.00 -0.52 0.00 0.00 55.73 53.90 2jf0 s ARG 224 Cb 0.00 0.00 0.03 0.00 0.52 0.00 0.00 34.95 35.50 2jf0 s ARG 224 CO 0.00 -0.06 0.16 0.00 0.02 0.00 0.00 175.30 175.42 2jf0 s ALA 225 N -3.74 -0.35 -0.18 2.13 0.00 -0.83 -0.90 121.76 117.89 2jf0 s ALA 225 Ca 0.09 0.61 -0.04 0.00 0.00 0.00 0.00 51.96 52.62 2jf0 s ALA 225 Cb 0.06 -0.39 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 2jf0 s ALA 225 CO -0.07 -0.12 -0.04 0.08 0.00 0.00 0.00 175.76 175.60 2jf0 s VAL 226 N 0.70 3.62 -0.32 0.00 1.01 0.24 -0.95 120.40 124.71 2jf0 s VAL 226 Ca -0.05 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.48 2jf0 s VAL 226 Cb -0.07 -2.61 0.06 0.00 0.00 0.00 0.00 36.38 33.76 2jf0 s VAL 226 CO -0.04 0.46 0.03 -0.76 0.00 0.00 0.00 175.10 174.80 2jf0 s LEU 227 N 0.87 4.15 -0.38 3.92 1.02 0.20 -2.56 118.68 125.90 2jf0 s LEU 227 Ca -0.01 -1.45 -0.15 0.00 0.02 0.00 0.00 54.13 52.55 2jf0 s LEU 227 Cb -0.15 -1.72 0.00 0.00 0.02 0.00 0.00 46.19 44.34 2jf0 s LEU 227 CO 0.01 -0.31 0.32 -1.10 0.02 0.00 0.00 176.35 175.29 2jf0 s GLN 228 N 1.21 3.27 -1.34 1.70 -0.21 -0.09 -1.69 119.66 122.51 2jf0 s GLN 228 Ca -0.02 -0.74 -0.02 0.00 0.02 0.00 0.00 55.36 54.59 2jf0 s GLN 228 Cb -0.20 -3.89 0.01 0.00 1.00 0.00 0.00 33.01 29.93 2jf0 s GLN 228 CO -0.02 -0.63 0.78 0.43 -2.12 0.00 0.00 175.29 173.73 2jf0 n SER 229 N 5.26 -1.95 0.00 5.90 7.64 0.18 -4.11 113.62 126.54 2jf0 n SER 229 Ca -0.11 -0.79 0.00 0.00 1.01 0.00 0.00 58.87 58.98 2jf0 n SER 229 Cb 0.48 -4.14 0.00 0.00 -1.01 0.00 0.00 64.21 59.54 2jf0 n SER 229 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jf0 n GLY 230 N -1.58 1.00 3.28 0.23 0.00 -1.26 -4.69 105.19 102.17 2jf0 n GLY 230 Ca -0.24 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 2jf0 n GLY 230 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jf0 s THR 231 N -2.00 0.08 0.23 2.61 -4.23 -1.26 -4.18 115.64 106.89 2jf0 s THR 231 Ca 0.00 -0.63 0.09 0.00 -1.18 0.00 0.00 61.69 59.97 2jf0 s THR 231 Cb 0.00 -1.01 -0.08 0.00 1.34 0.00 0.00 72.50 72.76 2jf0 s THR 231 CO 0.00 -0.35 1.52 1.55 -0.54 0.00 0.00 174.62 176.80 2jf0 h PRO 232 N 2.99 0.02 -7.44 3.99 0.13 -1.81 -3.40 132.00 126.48 2jf0 h PRO 232 Ca -0.32 -0.02 -0.48 0.00 -0.87 0.00 0.00 66.00 64.31 2jf0 h PRO 232 Cb 1.21 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.42 2jf0 h PRO 232 CO 0.46 0.73 0.36 0.54 -0.23 0.00 0.00 178.00 179.86 2jf0 s ASN 233 N -6.82 5.26 0.00 1.44 4.22 -1.26 -4.35 114.94 113.43 2jf0 s ASN 233 Ca -0.01 0.96 0.00 0.00 -2.14 0.00 0.00 52.86 51.67 2jf0 s ASN 233 Cb 0.12 -1.72 0.00 0.00 1.28 0.00 0.00 41.25 40.93 2jf0 s ASN 233 CO 0.78 -1.42 0.00 0.61 -2.04 0.00 0.00 177.10 175.03 2jf0 n GLY 234 N -2.99 1.47 0.00 0.45 0.00 -1.26 -4.72 105.19 98.14 2jf0 n GLY 234 Ca 0.07 -2.17 0.14 0.00 0.00 0.00 0.00 46.02 44.06 2jf0 n GLY 234 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jf0 n PRO 235 N -0.25 0.07 0.00 1.61 -0.04 -1.26 -3.97 135.00 131.16 2jf0 n PRO 235 Ca 0.00 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2jf0 n PRO 235 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 2jf0 n PRO 235 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2jf0 n TRP 236 N -1.46 0.00 0.23 0.54 4.27 -1.26 -4.80 117.44 114.97 2jf0 n TRP 236 Ca 0.08 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.81 2jf0 n TRP 236 Cb 0.33 0.00 0.47 0.00 -1.36 0.00 0.00 31.31 30.75 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 0.00 0.99 -2.36 -1.67 0.00 -1.80 -3.44 119.26 110.99 2jf0 h ALA 237 Ca 0.00 -0.13 -0.21 0.00 0.00 0.00 0.00 54.91 54.57 2jf0 h ALA 237 Cb 0.08 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 17.70 2jf0 h ALA 237 CO 0.00 0.18 -0.66 0.95 0.00 0.00 0.00 179.25 179.72 2jf0 s THR 238 N -3.56 0.31 0.13 0.00 -4.23 -1.26 -3.45 115.64 103.58 2jf0 s THR 238 Ca 0.02 -1.92 0.06 0.00 -1.18 0.00 0.00 61.69 58.67 2jf0 s THR 238 Cb 0.09 -2.00 -0.04 0.00 1.34 0.00 0.00 72.50 71.89 2jf0 s THR 238 CO 0.62 -0.54 -0.14 0.68 -0.54 0.00 0.00 174.62 174.70 2jf0 s VAL 239 N -3.90 1.38 0.81 2.29 -7.23 0.13 -4.96 120.40 108.93 2jf0 s VAL 239 Ca 0.22 -1.79 -0.12 0.00 -1.81 0.00 0.00 61.98 58.48 2jf0 s VAL 239 Cb 0.07 -1.61 0.09 0.00 0.56 0.00 0.00 36.38 35.49 2jf0 s VAL 239 CO 0.01 -0.44 1.16 -0.94 -0.31 0.00 0.00 175.10 174.58 2jf0 s SER 240 N -2.57 3.74 0.19 4.85 1.04 -1.26 -1.44 113.70 118.25 2jf0 s SER 240 Ca 0.11 2.18 -0.13 0.00 0.48 0.00 0.00 55.95 58.59 2jf0 s SER 240 Cb -0.04 -2.57 0.22 0.00 0.10 0.00 0.00 66.02 63.73 2jf0 s SER 240 CO 0.03 -2.56 1.69 0.00 0.98 0.00 0.00 173.24 173.38 2jf0 h ALA 241 N -1.10 0.54 -0.39 5.32 0.00 -1.94 -0.07 119.26 121.61 2jf0 h ALA 241 Ca -0.45 0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.66 2jf0 h ALA 241 Cb 1.27 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 19.24 2jf0 h ALA 241 CO 0.47 -0.36 0.11 0.78 0.00 0.00 0.00 179.25 180.25 2jf0 h GLY 242 N 0.16 0.49 1.33 0.00 0.00 -1.92 0.33 103.07 103.45 2jf0 h GLY 242 Ca 0.27 -0.05 -0.15 0.00 0.00 0.00 0.00 47.33 47.40 2jf0 h GLY 242 CO -0.41 -0.00 -0.40 -2.09 0.00 0.00 0.00 176.54 173.64 2jf0 h GLU 243 N 0.26 0.74 -0.65 4.80 4.57 -1.79 0.16 114.58 122.66 2jf0 h GLU 243 Ca 0.19 -0.38 -0.03 0.00 -1.18 0.00 0.00 59.36 57.96 2jf0 h GLU 243 Cb 0.19 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.76 2jf0 h GLU 243 CO -0.21 1.00 0.30 0.00 -1.18 0.00 0.00 179.01 178.92 2jf0 h ALA 244 N 0.95 0.84 -0.25 2.92 0.00 -0.71 0.18 119.26 123.18 2jf0 h ALA 244 Ca 0.05 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.85 2jf0 h ALA 244 Cb 0.94 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2jf0 h ALA 244 CO 0.09 0.41 0.06 -0.09 0.00 0.00 0.00 179.25 179.72 2jf0 h ARG 245 N 0.90 0.15 -0.33 0.00 2.43 -0.48 0.14 114.38 117.19 2jf0 h ARG 245 Ca 0.22 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.44 2jf0 h ARG 245 Cb 0.13 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.60 2jf0 h ARG 245 CO -0.03 0.10 0.04 -0.09 -1.51 0.00 0.00 179.97 178.49 2jf0 h ARG 246 N 0.16 0.15 -0.22 0.20 2.43 0.05 -1.00 114.38 116.15 2jf0 h ARG 246 Ca 0.11 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.12 2jf0 h ARG 246 Cb 0.11 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2jf0 h ARG 246 CO -0.14 0.10 -0.50 0.00 -1.51 0.00 0.00 179.97 177.91 2jf0 h ARG 247 N 0.15 0.60 -0.43 0.20 3.08 -0.19 -0.96 114.38 116.84 2jf0 h ARG 247 Ca 0.16 -0.36 -0.06 0.00 0.07 0.00 0.00 59.98 59.79 2jf0 h ARG 247 Cb 0.19 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 2jf0 h ARG 247 CO -0.23 0.96 0.04 0.00 -1.07 0.00 0.00 179.97 179.68 2jf0 h ALA 248 N 0.97 0.57 -0.37 0.04 0.00 -0.53 0.11 119.26 120.05 2jf0 h ALA 248 Ca 0.02 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 2jf0 h ALA 248 Cb 1.04 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2jf0 h ALA 248 CO 0.10 0.32 -0.21 0.00 0.00 0.00 0.00 179.25 179.45 2jf0 h THR 249 N 0.58 1.28 -0.26 0.00 1.03 -1.05 0.54 112.91 115.03 2jf0 h THR 249 Ca 0.13 -1.36 0.03 0.00 -0.01 0.00 0.00 66.41 65.21 2jf0 h THR 249 Cb 0.43 1.36 -0.03 0.00 -1.07 0.00 0.00 68.15 68.83 2jf0 h THR 249 CO 0.01 0.45 0.06 0.25 -0.01 0.00 0.00 175.52 176.28 2jf0 h LEU 250 N 0.59 0.02 -0.64 0.00 5.85 -1.10 0.21 115.31 120.24 2jf0 h LEU 250 Ca 0.08 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2jf0 h LEU 250 Cb 0.77 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 2jf0 h LEU 250 CO 0.06 0.05 0.42 0.25 -0.34 0.00 0.00 178.44 178.87 2jf0 h LEU 251 N 0.16 0.74 -0.23 2.25 5.85 -0.54 0.21 115.31 123.75 2jf0 h LEU 251 Ca 0.12 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.87 2jf0 h LEU 251 Cb 0.12 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 40.89 2jf0 h LEU 251 CO -0.16 0.55 -0.38 0.00 -0.34 0.00 0.00 178.44 178.11 2jf0 h ALA 252 N 1.23 -0.44 -0.13 1.25 0.00 -0.32 -1.36 119.26 119.49 2jf0 h ALA 252 Ca 0.23 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.22 2jf0 h ALA 252 Cb -0.08 0.75 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 2jf0 h ALA 252 CO -0.05 -0.85 -0.33 0.00 0.00 0.00 0.00 179.25 178.02 2jf0 h ARG 253 N -0.39 -0.39 -0.18 0.00 3.08 0.50 0.24 114.38 117.22 2jf0 h ARG 253 Ca 0.11 0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.24 2jf0 h ARG 253 Cb 0.58 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 2jf0 h ARG 253 CO -0.45 -0.26 0.42 -0.07 -1.07 0.00 0.00 179.97 178.54 2jf0 h LEU 254 N -0.41 0.00 -2.12 3.04 3.38 0.17 0.40 115.31 119.78 2jf0 h LEU 254 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2jf0 h LEU 254 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2jf0 h LEU 254 CO -0.35 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.51 2jf0 n VAL 255 N -3.21 0.48 -1.04 1.22 0.24 -0.26 -5.00 118.33 110.77 2jf0 n VAL 255 Ca 0.02 -0.74 0.00 0.00 -2.04 0.00 0.00 64.34 61.58 2jf0 n VAL 255 Cb 0.52 0.87 0.00 0.00 -1.47 0.00 0.00 33.84 33.77 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 0.53 0.69 3.30 7.63 0.00 0.14 -5.05 105.19 112.44 2jf0 n GLY 256 Ca 0.08 -0.27 -0.18 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.38 0.00 -0.35 0.00 2.85 -1.26 -2.64 115.26 112.48 2jf0 n ASN 265 Ca 0.06 0.49 -0.02 0.00 -0.11 0.00 0.00 54.58 55.01 2jf0 n ASN 265 Cb 0.63 -0.74 0.11 0.00 1.24 0.00 0.00 39.78 41.02 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 2.87 1.06 -0.47 1.20 3.32 -2.00 -3.18 116.42 119.22 2jf0 h ASP 266 Ca 0.00 -0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.09 2jf0 h ASP 266 Cb 0.00 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.25 2jf0 h ASP 266 CO 0.00 0.75 0.19 0.74 -1.72 0.00 0.00 179.24 179.20 2jf0 h THR 267 N 1.24 0.88 -0.56 0.35 2.02 -2.01 0.91 112.91 115.74 2jf0 h THR 267 Ca 0.36 -0.13 -0.04 0.00 0.77 0.00 0.00 66.41 67.37 2jf0 h THR 267 Cb -0.08 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 66.77 2jf0 h THR 267 CO -0.10 0.07 0.17 -0.33 0.37 0.00 0.00 175.52 175.70 2jf0 h GLU 268 N 0.37 0.84 0.10 6.66 5.08 -1.97 0.20 114.58 125.86 2jf0 h GLU 268 Ca 0.22 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2jf0 h GLU 268 Cb 0.20 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2jf0 h GLU 268 CO -0.20 0.73 -0.05 1.25 -1.00 0.00 0.00 179.01 179.74 2jf0 h LEU 269 N 0.82 -0.11 -0.61 1.33 6.46 -1.37 -0.29 115.31 121.54 2jf0 h LEU 269 Ca 0.19 -0.45 -0.03 0.00 -0.12 0.00 0.00 57.88 57.47 2jf0 h LEU 269 Cb 0.25 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.18 2jf0 h LEU 269 CO -0.01 0.45 0.27 0.40 -0.62 0.00 0.00 178.44 178.93 2jf0 h ILE 270 N -0.73 1.22 -0.77 4.05 2.04 -0.81 0.30 117.51 122.82 2jf0 h ILE 270 Ca -0.01 -0.65 0.06 0.00 1.00 0.00 0.00 64.86 65.25 2jf0 h ILE 270 Cb 0.56 0.51 -0.06 0.00 -0.74 0.00 0.00 36.82 37.09 2jf0 h ILE 270 CO 0.02 0.26 0.46 0.00 0.00 0.00 0.00 178.15 178.89 2jf0 h ALA 271 N 1.11 1.05 -0.19 1.87 0.00 -0.57 0.52 119.26 123.04 2jf0 h ALA 271 Ca 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2jf0 h ALA 271 Cb 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2jf0 h ALA 271 CO -0.02 0.18 -0.02 0.00 0.00 0.00 0.00 179.25 179.38 2jf0 h LEU 273 N 0.08 0.65 -0.81 0.00 3.38 0.67 0.02 115.31 119.30 2jf0 h LEU 273 Ca 0.05 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2jf0 h LEU 273 Cb 0.44 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2jf0 h LEU 273 CO 0.01 0.37 0.00 0.03 0.09 0.00 0.00 178.44 178.94 2jf0 h ARG 274 N 0.71 0.00 0.00 1.13 3.08 0.48 -0.93 114.38 118.85 2jf0 h ARG 274 Ca 0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.44 2jf0 h ARG 274 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 2jf0 h ARG 274 CO -0.16 0.00 -0.60 1.79 -1.07 0.00 0.00 179.97 179.93 2jf0 h THR 275 N 0.00 0.00 -3.58 2.04 1.35 -0.61 -3.46 112.91 108.65 2jf0 h THR 275 Ca 0.00 -0.76 -0.52 0.00 -0.55 0.00 0.00 66.41 64.58 2jf0 h THR 275 Cb 0.41 1.42 0.03 0.00 -1.73 0.00 0.00 68.15 68.28 2jf0 h THR 275 CO 0.00 0.00 0.57 -0.13 -0.25 0.00 0.00 175.52 175.71 2jf0 s ARG 276 N -3.24 4.49 0.55 4.72 1.81 -0.35 -4.97 118.95 121.95 2jf0 s ARG 276 Ca 0.04 1.93 -0.19 0.00 -1.72 0.00 0.00 55.73 55.79 2jf0 s ARG 276 Cb 0.10 -3.20 -0.05 0.00 -0.45 0.00 0.00 34.95 31.35 2jf0 s ARG 276 CO 0.73 -0.07 1.15 -1.25 -0.68 0.00 0.00 175.30 175.18 2jf0 s PRO 277 N -0.64 3.27 0.24 3.54 0.04 -1.26 -4.91 135.00 135.28 2jf0 s PRO 277 Ca 0.51 1.67 -0.05 0.00 0.04 0.00 0.00 61.00 63.17 2jf0 s PRO 277 Cb -0.34 -1.99 0.44 0.00 0.04 0.00 0.00 34.50 32.64 2jf0 s PRO 277 CO 0.40 -0.93 1.71 0.00 0.04 0.00 0.00 177.00 178.22 2jf0 h ALA 278 N 1.14 0.98 0.00 8.56 0.00 -1.95 -1.59 119.26 126.41 2jf0 h ALA 278 Ca -0.50 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2jf0 h ALA 278 Cb 1.27 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 2jf0 h ALA 278 CO 0.57 -0.27 -0.04 0.37 0.00 0.00 0.00 179.25 179.88 2jf0 h GLN 279 N 0.36 0.00 -0.45 0.00 5.75 -1.99 -0.43 115.11 118.36 2jf0 h GLN 279 Ca 0.40 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.78 2jf0 h GLN 279 Cb 0.63 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.17 2jf0 h GLN 279 CO -0.44 0.04 -0.20 0.22 -2.65 0.00 0.00 178.83 175.80 2jf0 h ASP 280 N 0.00 0.96 -0.42 -0.69 3.58 -1.66 0.47 116.42 118.66 2jf0 h ASP 280 Ca -0.00 -0.40 -0.15 0.00 0.42 0.00 0.00 57.03 56.90 2jf0 h ASP 280 Cb 0.07 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.85 2jf0 h ASP 280 CO 0.01 1.14 -0.31 -0.07 -2.88 0.00 0.00 179.24 177.12 2jf0 h LEU 281 N 0.77 1.01 -0.08 2.28 3.38 -1.03 -2.70 115.31 118.93 2jf0 h LEU 281 Ca 0.10 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 2jf0 h LEU 281 Cb 0.78 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 2jf0 h LEU 281 CO 0.06 1.23 0.02 0.58 0.09 0.00 0.00 178.44 180.42 2jf0 h VAL 282 N 0.80 1.18 -0.30 1.22 2.07 -0.93 -0.77 116.25 119.52 2jf0 h VAL 282 Ca 0.08 -0.56 0.09 0.00 0.82 0.00 0.00 66.70 67.13 2jf0 h VAL 282 Cb 0.90 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 2jf0 h VAL 282 CO 0.08 0.16 0.40 0.44 0.02 0.00 0.00 177.57 178.67 2jf0 h ASP 283 N -0.07 0.00 -0.00 0.57 3.32 0.09 -2.31 116.42 118.03 2jf0 h ASP 283 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2jf0 h ASP 283 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 2jf0 h ASP 283 CO -0.00 0.00 -0.33 1.41 -1.72 0.00 0.00 179.24 178.60 2jf0 n HIS 284 N -3.55 0.00 0.10 4.55 8.25 -0.88 -4.65 115.22 119.04 2jf0 n HIS 284 Ca 0.05 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.52 2jf0 n HIS 284 Cb 0.54 0.00 0.34 0.00 1.12 0.00 0.00 29.99 31.99 2jf0 n HIS 284 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 2jf0 h GLU 285 N 0.30 0.28 -0.66 -0.41 4.11 -0.56 -1.93 114.58 115.72 2jf0 h GLU 285 Ca 0.00 -0.08 -0.01 0.00 0.07 0.00 0.00 59.36 59.35 2jf0 h GLU 285 Cb 0.23 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 2jf0 h GLU 285 CO 0.00 0.46 0.39 2.35 0.07 0.00 0.00 179.01 182.27 2jf0 h TRP 286 N 0.26 0.87 0.00 2.06 -0.00 -1.83 -3.14 115.95 114.18 2jf0 h TRP 286 Ca 0.05 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.94 2jf0 h TRP 286 Cb 0.47 -0.29 0.00 0.00 -0.00 0.00 0.00 29.16 29.34 2jf0 h TRP 286 CO 0.01 0.59 0.00 0.72 -0.00 0.00 0.00 178.44 179.76 2jf0 n HIS 287 N -4.39 0.00 0.82 2.65 -0.00 -0.72 -2.99 115.22 110.58 2jf0 n HIS 287 Ca 0.07 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.88 2jf0 n HIS 287 Cb 0.08 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.09 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 -0.68 0.00 -2.05 1.59 0.24 -1.19 -4.97 118.33 111.26 2jf0 n VAL 288 Ca 0.05 -0.37 -0.42 0.00 -2.04 0.00 0.00 64.34 61.56 2jf0 n VAL 288 Cb 0.02 1.28 -0.03 0.00 -1.47 0.00 0.00 33.84 33.64 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 -2.02 4.38 0.48 1.34 1.43 -1.16 -4.84 118.68 118.29 2jf0 s LEU 289 Ca 0.18 2.50 0.14 0.00 -1.03 0.00 0.00 54.13 55.92 2jf0 s LEU 289 Cb 0.15 -3.60 1.13 0.00 0.03 0.00 0.00 46.19 43.91 2jf0 s LEU 289 CO 0.40 -0.72 2.11 1.55 0.23 0.00 0.00 176.35 179.91 2jf0 h PRO 290 N 6.42 0.14 -5.10 1.29 0.13 -1.94 -3.44 132.00 129.49 2jf0 h PRO 290 Ca -0.43 -0.01 -0.45 0.00 -0.87 0.00 0.00 66.00 64.23 2jf0 h PRO 290 Cb 1.21 -0.03 -0.14 0.00 0.13 0.00 0.00 31.00 32.17 2jf0 h PRO 290 CO 0.86 0.11 -0.59 -0.65 -0.23 0.00 0.00 178.00 177.51 2jf0 s GLN 291 N -5.12 1.64 -0.30 0.86 1.11 -1.26 -5.09 119.66 111.50 2jf0 s GLN 291 Ca -0.06 -1.92 -0.29 0.00 0.01 0.00 0.00 55.36 53.10 2jf0 s GLN 291 Cb 0.17 -0.65 -0.01 0.00 -1.01 0.00 0.00 33.01 31.51 2jf0 s GLN 291 CO 0.69 -0.27 1.48 -2.00 0.01 0.00 0.00 175.29 175.20 2jf0 s GLU 292 N -3.90 3.74 0.05 2.91 2.12 -1.26 -4.98 118.70 117.39 2jf0 s GLU 292 Ca 0.35 1.34 -0.04 0.00 0.36 0.00 0.00 54.97 56.98 2jf0 s GLU 292 Cb 0.07 -4.00 -0.02 0.00 0.26 0.00 0.00 34.13 30.45 2jf0 s GLU 292 CO 0.15 -1.35 0.05 -1.54 -0.54 0.00 0.00 175.26 172.03 2jf0 s SER 293 N 3.86 0.30 0.28 -1.70 1.04 -1.26 -4.31 113.70 111.92 2jf0 s SER 293 Ca 0.65 -0.74 0.10 0.00 0.48 0.00 0.00 55.95 56.45 2jf0 s SER 293 Cb -0.19 0.22 -0.05 0.00 0.10 0.00 0.00 66.02 66.10 2jf0 s SER 293 CO 0.28 -0.56 -0.08 0.27 0.98 0.00 0.00 173.24 174.13 2jf0 s ILE 294 N -3.23 2.93 -1.45 -1.02 -5.25 -0.88 -4.68 121.20 107.62 2jf0 s ILE 294 Ca 0.00 -2.13 -0.03 0.00 -0.99 0.00 0.00 60.65 57.51 2jf0 s ILE 294 Cb 0.03 -2.61 0.01 0.00 2.95 0.00 0.00 42.46 42.84 2jf0 s ILE 294 CO -0.07 -0.36 0.25 0.33 -1.79 0.00 0.00 174.94 173.29 2jf0 n PHE 295 N -0.79 -1.51 -4.87 1.37 -0.00 -1.26 -4.73 117.46 105.67 2jf0 n PHE 295 Ca -0.06 0.22 -0.26 0.00 -0.00 0.00 0.00 57.45 57.36 2jf0 n PHE 295 Cb 0.60 -3.65 -0.16 0.00 -0.00 0.00 0.00 39.48 36.28 2jf0 n PHE 295 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 2jf0 s ARG 296 N -5.37 1.60 0.03 -4.13 1.81 -1.26 -4.63 118.95 106.99 2jf0 s ARG 296 Ca 0.15 -0.64 0.06 0.00 -1.72 0.00 0.00 55.73 53.58 2jf0 s ARG 296 Cb -0.07 -1.48 -0.02 0.00 -0.45 0.00 0.00 34.95 32.93 2jf0 s ARG 296 CO 0.18 0.34 -0.17 -0.06 -0.68 0.00 0.00 175.30 174.90 2jf0 s PHE 297 N -0.25 1.53 0.01 -0.53 0.08 -1.26 -5.03 117.98 112.52 2jf0 s PHE 297 Ca 0.03 -0.34 -0.21 0.00 0.12 0.00 0.00 56.93 56.52 2jf0 s PHE 297 Cb -0.09 -0.93 -0.17 0.00 -0.57 0.00 0.00 43.02 41.26 2jf0 s PHE 297 CO 0.00 0.04 1.25 0.77 -0.10 0.00 0.00 175.22 177.19 2jf0 h SER 298 N 5.11 0.34 -3.68 1.36 0.02 -1.88 -3.40 113.55 111.42 2jf0 h SER 298 Ca -0.39 -0.57 -0.65 0.00 -0.84 0.00 0.00 61.79 59.34 2jf0 h SER 298 Cb 1.16 -0.10 -0.39 0.00 0.14 0.00 0.00 62.40 63.21 2jf0 h SER 298 CO 0.45 0.85 -0.75 -0.36 -1.14 0.00 0.00 176.83 175.88 2jf0 s PHE 299 N -3.95 3.35 0.35 3.45 0.08 -1.26 -4.99 117.98 115.01 2jf0 s PHE 299 Ca -0.14 -2.62 0.04 0.00 0.12 0.00 0.00 56.93 54.32 2jf0 s PHE 299 Cb 0.04 -2.46 -0.06 0.00 -0.57 0.00 0.00 43.02 39.97 2jf0 s PHE 299 CO 0.75 -0.91 0.06 0.14 -0.10 0.00 0.00 175.22 175.16 2jf0 s VAL 300 N 1.06 1.17 -0.08 -0.44 -7.23 -1.26 -4.33 120.40 109.28 2jf0 s VAL 300 Ca 0.05 -2.00 -0.40 0.00 -1.81 0.00 0.00 61.98 57.81 2jf0 s VAL 300 Cb -0.19 -2.72 -0.19 0.00 0.56 0.00 0.00 36.38 33.84 2jf0 s VAL 300 CO -0.09 0.00 1.28 -2.65 -0.31 0.00 0.00 175.10 173.34 2jf0 n PRO 301 N -0.77 0.40 -3.58 4.82 -0.02 -1.22 -4.68 135.00 129.95 2jf0 n PRO 301 Ca -0.04 0.14 -0.37 0.00 -2.02 0.00 0.00 63.50 61.22 2jf0 n PRO 301 Cb 0.66 -1.70 -0.06 0.00 -0.02 0.00 0.00 33.50 32.38 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 0.92 5.24 -1.19 -1.45 0.11 -1.26 -0.69 120.40 122.08 2jf0 s VAL 302 Ca 0.92 0.61 -0.22 0.00 -2.93 0.00 0.00 61.98 60.36 2jf0 s VAL 302 Cb -1.21 -3.63 -0.04 0.00 -1.53 0.00 0.00 36.38 29.97 2jf0 s VAL 302 CO 0.59 0.49 1.88 -0.69 -3.33 0.00 0.00 175.10 174.04 2jf0 s VAL 303 N -0.32 3.69 -2.21 2.04 1.01 -0.52 -4.56 120.40 119.54 2jf0 s VAL 303 Ca 0.19 -1.12 0.24 0.00 0.00 0.00 0.00 61.98 61.30 2jf0 s VAL 303 Cb -0.14 -4.70 0.60 0.00 0.00 0.00 0.00 36.38 32.14 2jf0 s VAL 303 CO 0.07 -1.26 1.79 -0.90 0.00 0.00 0.00 175.10 174.80 2jf0 n ASP 304 N 12.78 0.86 0.00 3.32 5.75 -1.23 -3.83 116.55 134.20 2jf0 n ASP 304 Ca 0.45 -1.43 0.00 0.00 -0.01 0.00 0.00 54.79 53.80 2jf0 n ASP 304 Cb 0.47 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 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 1.03 1.33 0.00 6.12 0.00 0.36 -4.77 105.19 109.25 2jf0 n GLY 305 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 0.00 0.05 1.61 2.03 -1.26 -4.32 116.55 114.66 2jf0 n ASP 306 Ca 0.00 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.20 2jf0 n ASP 306 Cb 0.00 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.35 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 -0.43 -3.57 -0.67 3.04 -1.90 -3.32 116.94 110.09 2jf0 h PHE 307 Ca 0.00 0.01 -0.71 0.00 3.98 0.00 0.00 57.97 61.26 2jf0 h PHE 307 Cb 0.00 0.19 -0.22 0.00 2.56 0.00 0.00 35.95 38.48 2jf0 h PHE 307 CO 0.00 -0.24 -0.48 -0.51 -2.02 0.00 0.00 178.31 175.06 2jf0 s LEU 308 N -10.33 4.82 0.53 0.59 1.43 -1.26 -4.45 118.68 110.00 2jf0 s LEU 308 Ca -0.15 -0.87 0.31 0.00 -1.03 0.00 0.00 54.13 52.40 2jf0 s LEU 308 Cb 0.09 -2.09 1.24 0.00 0.03 0.00 0.00 46.19 45.46 2jf0 s LEU 308 CO 0.66 -0.38 1.94 0.77 0.23 0.00 0.00 176.35 179.57 2jf0 h SER 309 N 8.52 0.00 -5.10 2.29 4.64 -1.75 0.10 113.55 122.25 2jf0 h SER 309 Ca -0.27 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.99 2jf0 h SER 309 Cb 1.12 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 2jf0 h SER 309 CO 0.69 0.04 0.18 -0.62 -0.87 0.00 0.00 176.83 176.25 2jf0 s ASP 310 N -5.81 0.14 0.53 4.97 -1.08 -1.26 -4.35 116.67 109.80 2jf0 s ASP 310 Ca 0.01 -1.15 -0.22 0.00 -0.52 0.00 0.00 52.55 50.68 2jf0 s ASP 310 Cb 0.09 0.80 -0.06 0.00 -1.46 0.00 0.00 42.92 42.29 2jf0 s ASP 310 CO 0.57 -1.58 1.20 0.35 0.52 0.00 0.00 175.17 176.23 2jf0 n THR 311 N -0.53 3.51 -0.22 1.71 -2.24 -1.26 -4.75 114.28 110.51 2jf0 n THR 311 Ca -0.06 -0.50 0.18 0.00 -2.27 0.00 0.00 64.05 61.39 2jf0 n THR 311 Cb 0.60 -1.45 0.50 0.00 -2.10 0.00 0.00 70.33 67.88 2jf0 n THR 311 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2jf0 h PRO 312 N 1.25 0.41 0.12 -0.78 0.11 -1.97 -0.21 132.00 130.93 2jf0 h PRO 312 Ca -0.49 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 2jf0 h PRO 312 Cb 1.32 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 2jf0 h PRO 312 CO 0.56 0.27 -0.07 1.49 -0.21 0.00 0.00 178.00 180.03 2jf0 h GLU 313 N 0.42 -0.18 -0.44 1.05 4.81 -1.89 0.27 114.58 118.62 2jf0 h GLU 313 Ca 0.44 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.70 2jf0 h GLU 313 Cb 1.05 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.44 2jf0 h GLU 313 CO -0.16 -0.12 0.25 0.00 -0.73 0.00 0.00 179.01 178.25 2jf0 h ALA 314 N 0.69 0.56 -0.21 2.92 0.00 -1.68 0.29 119.26 121.82 2jf0 h ALA 314 Ca -0.01 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 2jf0 h ALA 314 Cb 0.15 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2jf0 h ALA 314 CO 0.01 -0.08 -0.30 -0.07 0.00 0.00 0.00 179.25 178.82 2jf0 h LEU 315 N 0.50 0.43 -0.09 0.00 3.38 -0.66 -1.46 115.31 117.42 2jf0 h LEU 315 Ca 0.18 -0.15 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 2jf0 h LEU 315 Cb 0.03 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2jf0 h LEU 315 CO -0.09 0.71 -0.75 0.16 0.09 0.00 0.00 178.44 178.56 2jf0 h ILE 316 N 0.37 1.31 0.00 1.22 3.07 -0.26 -0.28 117.51 122.94 2jf0 h ILE 316 Ca 0.05 -2.77 -0.11 0.00 1.55 0.00 0.00 64.86 63.58 2jf0 h ILE 316 Cb 0.71 2.59 -0.02 0.00 -0.27 0.00 0.00 36.82 39.84 2jf0 h ILE 316 CO 0.05 0.73 -0.50 0.78 -1.05 0.00 0.00 178.15 178.17 2jf0 h ASN 317 N 0.00 0.00 0.00 2.16 2.35 -0.31 -3.36 115.58 116.43 2jf0 h ASN 317 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2jf0 h ASN 317 Cb 1.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.90 2jf0 h ASN 317 CO 0.10 0.50 0.00 0.35 -1.65 0.00 0.00 177.43 176.73 2jf0 n THR 318 N -3.64 0.00 -1.34 2.81 -2.24 -0.61 -5.05 114.28 104.22 2jf0 n THR 318 Ca -0.01 -0.43 -0.32 0.00 -2.27 0.00 0.00 64.05 61.02 2jf0 n THR 318 Cb 0.57 1.04 0.09 0.00 -2.10 0.00 0.00 70.33 69.94 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 -0.59 1.88 -0.27 3.38 0.00 -0.12 -5.02 107.32 106.57 2jf0 s GLY 319 Ca 0.00 0.45 -0.04 0.00 0.00 0.00 0.00 44.72 45.13 2jf0 s GLY 319 CO 0.00 0.81 0.01 -0.35 0.00 0.00 0.00 173.10 173.57 2jf0 s ASP 320 N -2.93 4.71 -0.29 1.64 2.15 -1.26 -4.82 116.67 115.86 2jf0 s ASP 320 Ca 0.65 -0.77 0.08 0.00 0.43 0.00 0.00 52.55 52.94 2jf0 s ASP 320 Cb -0.20 -1.77 0.46 0.00 -0.30 0.00 0.00 42.92 41.11 2jf0 s ASP 320 CO 0.51 -0.15 1.18 0.49 -0.17 0.00 0.00 175.17 177.03 2jf0 n PHE 321 N 4.77 2.65 -0.10 -5.34 3.72 0.00 -4.81 117.46 118.34 2jf0 n PHE 321 Ca -0.16 -2.24 -0.11 0.00 -0.05 0.00 0.00 57.45 54.90 2jf0 n PHE 321 Cb 0.48 -0.32 -0.06 0.00 -0.94 0.00 0.00 39.48 38.64 2jf0 n PHE 321 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 2jf0 h GLN 322 N 2.23 -0.36 0.00 -1.08 7.50 -1.78 -0.24 115.11 121.38 2jf0 h GLN 322 Ca 0.33 0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.50 2jf0 h GLN 322 Cb 1.50 0.08 0.00 0.00 0.05 0.00 0.00 27.48 29.11 2jf0 h GLN 322 CO 0.72 -0.24 0.00 -3.47 -1.50 0.00 0.00 178.83 174.34 2jf0 n ASP 323 N -5.42 0.00 -4.59 1.46 2.03 -1.26 -4.52 116.55 104.26 2jf0 n ASP 323 Ca -0.02 -0.11 -0.36 0.00 0.52 0.00 0.00 54.79 54.83 2jf0 n ASP 323 Cb 0.35 -0.18 -0.10 0.00 -0.72 0.00 0.00 41.12 40.47 2jf0 n ASP 323 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2jf0 s LEU 324 N -2.37 3.82 -0.19 -2.67 2.96 -0.89 -4.97 118.68 114.38 2jf0 s LEU 324 Ca 0.16 0.01 -0.06 0.00 -0.22 0.00 0.00 54.13 54.03 2jf0 s LEU 324 Cb 0.10 -2.01 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 2jf0 s LEU 324 CO 0.20 0.08 0.02 -1.10 -1.32 0.00 0.00 176.35 174.23 2jf0 s GLN 325 N 0.97 3.76 -0.07 1.98 1.11 -1.26 0.31 119.66 126.46 2jf0 s GLN 325 Ca 0.05 -0.45 0.02 0.00 0.01 0.00 0.00 55.36 54.99 2jf0 s GLN 325 Cb -0.14 -3.12 0.01 0.00 -1.01 0.00 0.00 33.01 28.76 2jf0 s GLN 325 CO 0.03 0.13 -0.11 0.08 0.01 0.00 0.00 175.29 175.43 2jf0 s VAL 326 N 0.72 1.05 -0.22 1.09 1.01 0.17 -1.96 120.40 122.27 2jf0 s VAL 326 Ca 0.01 -0.42 -0.07 0.00 0.00 0.00 0.00 61.98 61.50 2jf0 s VAL 326 Cb -0.14 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 2jf0 s VAL 326 CO 0.02 0.34 0.07 -0.22 0.00 0.00 0.00 175.10 175.31 2jf0 s LEU 327 N 0.75 3.61 0.10 3.92 2.96 -0.12 0.31 118.68 130.21 2jf0 s LEU 327 Ca -0.13 -0.08 0.04 0.00 -0.22 0.00 0.00 54.13 53.74 2jf0 s LEU 327 Cb -0.15 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 2jf0 s LEU 327 CO 0.03 0.06 -0.10 0.68 -1.32 0.00 0.00 176.35 175.69 2jf0 s VAL 328 N 1.04 0.98 -0.66 1.68 -7.23 0.12 0.61 120.40 116.94 2jf0 s VAL 328 Ca 0.04 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 58.56 2jf0 s VAL 328 Cb -0.14 -1.38 0.00 0.00 0.56 0.00 0.00 36.38 35.42 2jf0 s VAL 328 CO 0.03 -0.55 0.00 0.61 -0.31 0.00 0.00 175.10 174.88 2jf0 n GLY 329 N 0.54 -1.30 3.17 2.32 0.00 -0.68 -1.16 105.19 108.08 2jf0 n GLY 329 Ca -0.16 -0.96 -0.08 0.00 0.00 0.00 0.00 46.02 44.82 2jf0 n GLY 329 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jf0 s VAL 330 N -2.47 0.16 0.47 1.61 -7.23 -0.91 0.51 120.40 112.55 2jf0 s VAL 330 Ca 0.00 -1.59 -0.00 0.00 -1.81 0.00 0.00 61.98 58.58 2jf0 s VAL 330 Cb 0.00 -1.60 0.00 0.00 0.56 0.00 0.00 36.38 35.34 2jf0 s VAL 330 CO 0.00 -0.71 0.70 0.68 -0.31 0.00 0.00 175.10 175.47 2jf0 s VAL 331 N -3.93 3.88 0.33 1.32 -7.23 -1.26 0.20 120.40 113.71 2jf0 s VAL 331 Ca 0.11 -0.45 0.03 0.00 -1.81 0.00 0.00 61.98 59.86 2jf0 s VAL 331 Cb 0.06 -3.45 0.17 0.00 0.56 0.00 0.00 36.38 33.72 2jf0 s VAL 331 CO -0.07 -0.33 1.88 0.50 -0.31 0.00 0.00 175.10 176.77 2jf0 h LYS 332 N 0.32 0.61 -2.16 4.82 3.64 -0.90 -3.32 116.57 119.59 2jf0 h LYS 332 Ca -0.46 -0.12 -0.59 0.00 -1.27 0.00 0.00 60.65 58.22 2jf0 h LYS 332 Cb 1.26 -0.09 -0.41 0.00 -0.41 0.00 0.00 32.23 32.57 2jf0 h LYS 332 CO 0.57 0.59 -0.79 -0.25 -2.27 0.00 0.00 179.45 177.30 2jf0 n ASP 333 N -4.29 2.31 -0.28 4.20 9.92 -0.23 -4.91 116.55 123.28 2jf0 n ASP 333 Ca 0.02 -3.13 -0.00 0.00 -0.53 0.00 0.00 54.79 51.15 2jf0 n ASP 333 Cb 0.22 -0.66 0.20 0.00 -0.64 0.00 0.00 41.12 40.24 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 4.19 1.11 0.00 -1.24 4.39 -1.73 -3.06 114.58 118.24 2jf0 h GLU 334 Ca 0.15 -0.07 -0.08 0.00 0.34 0.00 0.00 59.36 59.71 2jf0 h GLU 334 Cb 0.75 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 2jf0 h GLU 334 CO 0.68 0.73 -0.38 0.78 -1.16 0.00 0.00 179.01 179.67 2jf0 h GLY 335 N 1.14 0.00 0.97 -3.84 0.00 -1.81 -3.39 103.07 96.14 2jf0 h GLY 335 Ca 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 2jf0 h GLY 335 CO -0.07 0.00 0.23 1.48 0.00 0.00 0.00 176.54 178.18 2jf0 h SER 336 N 0.00 0.58 -0.59 0.19 4.64 -1.73 -1.85 113.55 114.78 2jf0 h SER 336 Ca -0.00 -0.11 0.12 0.00 -0.47 0.00 0.00 61.79 61.33 2jf0 h SER 336 Cb 1.21 -0.15 -0.10 0.00 -0.31 0.00 0.00 62.40 63.05 2jf0 h SER 336 CO 0.05 0.53 -0.04 0.22 -0.87 0.00 0.00 176.83 176.72 2jf0 h TYR 337 N 0.59 -0.12 0.00 4.77 -0.00 -1.77 -2.14 116.97 118.30 2jf0 h TYR 337 Ca 0.16 0.05 -0.04 0.00 -0.00 0.00 0.00 58.73 58.89 2jf0 h TYR 337 Cb 0.09 0.14 -0.01 0.00 -0.00 0.00 0.00 36.73 36.96 2jf0 h TYR 337 CO -0.01 -0.19 -0.20 0.74 -0.00 0.00 0.00 178.16 178.50 2jf0 h PHE 338 N 0.08 0.00 -0.22 -3.82 -1.00 -1.58 -3.09 116.94 107.30 2jf0 h PHE 338 Ca 0.30 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 61.05 2jf0 h PHE 338 Cb 0.48 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.03 2jf0 h PHE 338 CO -0.39 0.20 -0.01 -0.07 -1.61 0.00 0.00 178.31 176.43 2jf0 h LEU 339 N 0.00 0.30 0.00 1.54 3.38 -1.31 -1.42 115.31 117.81 2jf0 h LEU 339 Ca -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2jf0 h LEU 339 Cb 0.39 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2jf0 h LEU 339 CO 0.03 0.37 0.00 1.33 0.09 0.00 0.00 178.44 180.25 2jf0 n VAL 340 N -4.34 0.01 -1.34 1.22 0.24 -1.17 -1.15 118.33 111.79 2jf0 n VAL 340 Ca 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.98 2jf0 n VAL 340 Cb 0.20 -0.51 0.09 0.00 -1.47 0.00 0.00 33.84 32.16 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 -1.12 3.18 0.00 6.34 4.02 -0.53 -4.73 117.16 124.32 2jf0 n TYR 341 Ca 0.20 -2.84 0.00 0.00 -0.01 0.00 0.00 57.90 55.25 2jf0 n TYR 341 Cb 0.16 -1.34 0.00 0.00 -0.02 0.00 0.00 39.34 38.14 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 -0.94 1.96 3.51 2.72 0.00 -1.22 -4.92 105.19 106.30 2jf0 n GLY 342 Ca 0.62 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.00 5.26 0.26 1.61 1.01 -0.30 -4.91 120.40 121.33 2jf0 s VAL 343 Ca 0.00 -0.32 -0.31 0.00 0.00 0.00 0.00 61.98 61.35 2jf0 s VAL 343 Cb 0.00 -3.79 -0.13 0.00 0.00 0.00 0.00 36.38 32.45 2jf0 s VAL 343 CO 0.00 -0.11 1.37 -2.65 0.00 0.00 0.00 175.10 173.70 2jf0 n PRO 344 N 5.16 2.01 0.00 2.72 -0.02 -1.26 -1.52 135.00 142.08 2jf0 n PRO 344 Ca -0.12 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 2jf0 n PRO 344 Cb 0.49 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 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 1.88 2.47 3.84 -1.23 0.00 -1.26 -4.90 105.19 105.99 2jf0 n GLY 345 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.61 3.61 0.07 1.61 0.40 -0.57 -4.55 117.98 115.95 2jf0 s PHE 346 Ca 0.00 0.65 -0.16 0.00 -0.60 0.00 0.00 56.93 56.82 2jf0 s PHE 346 Cb 0.00 -2.09 0.03 0.00 0.51 0.00 0.00 43.02 41.47 2jf0 s PHE 346 CO 0.00 0.63 0.38 0.45 0.70 0.00 0.00 175.22 177.39 2jf0 s SER 347 N -0.80 -0.23 0.16 1.36 0.15 -1.26 -4.67 113.70 108.40 2jf0 s SER 347 Ca 0.17 -0.17 0.26 0.00 0.70 0.00 0.00 55.95 56.91 2jf0 s SER 347 Cb -0.13 0.43 0.69 0.00 -1.71 0.00 0.00 66.02 65.30 2jf0 s SER 347 CO 0.06 -0.73 1.64 2.29 1.20 0.00 0.00 173.24 177.70 2jf0 n LYS 348 N 0.23 0.24 0.00 5.44 2.85 -1.26 -4.18 118.16 121.49 2jf0 n LYS 348 Ca -0.17 0.15 0.11 0.00 -1.05 0.00 0.00 58.31 57.35 2jf0 n LYS 348 Cb 0.61 -1.74 0.00 0.00 -0.65 0.00 0.00 35.03 33.26 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 -2.13 1.61 -3.71 -5.58 8.00 -1.26 -4.30 116.55 109.17 2jf0 n ASP 349 Ca 0.05 -1.28 -0.14 0.00 0.71 0.00 0.00 54.79 54.13 2jf0 n ASP 349 Cb 0.42 0.59 -0.07 0.00 -0.02 0.00 0.00 41.12 42.04 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 -2.65 0.70 0.00 -2.24 2.20 -1.26 -5.04 114.94 106.65 2jf0 s ASN 350 Ca 0.16 -1.44 0.26 0.00 -0.94 0.00 0.00 52.86 50.89 2jf0 s ASN 350 Cb 0.18 0.53 1.50 0.00 -2.00 0.00 0.00 41.25 41.45 2jf0 s ASN 350 CO 0.66 -1.06 1.88 -0.62 -2.94 0.00 0.00 177.10 175.02 2jf0 n GLU 351 N -0.45 0.75 -3.99 3.55 -0.58 -1.26 -4.62 120.64 114.04 2jf0 n GLU 351 Ca 0.03 0.01 -0.31 0.00 -0.42 0.00 0.00 57.16 56.46 2jf0 n GLU 351 Cb 0.63 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 30.01 2jf0 n GLU 351 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2jf0 n SER 352 N -1.03 -3.78 -4.70 1.62 7.64 -1.26 -4.92 113.62 107.19 2jf0 n SER 352 Ca 0.18 -0.87 -0.42 0.00 1.01 0.00 0.00 58.87 58.78 2jf0 n SER 352 Cb 0.10 -3.50 -0.03 0.00 -1.01 0.00 0.00 64.21 59.77 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 -7.21 4.33 0.29 -3.43 1.43 -1.26 -4.62 118.68 108.20 2jf0 s LEU 353 Ca 0.59 2.14 0.10 0.00 -1.03 0.00 0.00 54.13 55.93 2jf0 s LEU 353 Cb -0.31 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.29 2jf0 s LEU 353 CO 0.86 -0.68 -0.15 0.27 0.23 0.00 0.00 176.35 176.89 2jf0 s ILE 354 N 2.00 2.21 0.64 -0.59 -4.36 -1.19 -5.00 121.20 114.91 2jf0 s ILE 354 Ca 0.63 -2.29 -0.03 0.00 -0.26 0.00 0.00 60.65 58.71 2jf0 s ILE 354 Cb -0.32 -2.38 0.06 0.00 1.25 0.00 0.00 42.46 41.06 2jf0 s ILE 354 CO 0.27 -0.36 0.90 -0.94 0.24 0.00 0.00 174.94 175.06 2jf0 s SER 355 N -3.50 4.97 0.31 4.36 1.04 -1.26 -4.14 113.70 115.47 2jf0 s SER 355 Ca 0.30 0.16 -0.00 0.00 0.48 0.00 0.00 55.95 56.88 2jf0 s SER 355 Cb -0.01 -0.89 0.50 0.00 0.10 0.00 0.00 66.02 65.71 2jf0 s SER 355 CO 0.14 -1.42 1.95 -0.09 0.98 0.00 0.00 173.24 174.80 2jf0 h ARG 356 N -0.29 0.95 -0.21 4.02 2.43 -1.86 0.56 114.38 119.98 2jf0 h ARG 356 Ca -0.43 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 58.63 2jf0 h ARG 356 Cb 1.30 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 2jf0 h ARG 356 CO 0.54 0.67 0.01 0.00 -1.51 0.00 0.00 179.97 179.68 2jf0 h ALA 357 N 1.50 0.28 0.00 2.80 0.00 -1.97 -0.37 119.26 121.49 2jf0 h ALA 357 Ca 0.25 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2jf0 h ALA 357 Cb -0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2jf0 h ALA 357 CO -0.05 -0.01 -0.07 1.96 0.00 0.00 0.00 179.25 181.08 2jf0 h GLN 358 N 0.14 0.00 0.27 0.00 4.20 -1.81 0.11 115.11 118.01 2jf0 h GLN 358 Ca 0.06 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 2jf0 h GLN 358 Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 2jf0 h GLN 358 CO 0.01 0.07 -0.13 0.35 -0.67 0.00 0.00 178.83 178.46 2jf0 h PHE 359 N 0.00 -0.33 -0.80 2.96 3.04 -0.02 0.98 116.94 122.77 2jf0 h PHE 359 Ca -0.00 -0.01 0.14 0.00 3.98 0.00 0.00 57.97 62.08 2jf0 h PHE 359 Cb 0.14 0.11 -0.09 0.00 2.56 0.00 0.00 35.95 38.67 2jf0 h PHE 359 CO 0.00 0.03 0.37 -0.07 -2.02 0.00 0.00 178.31 176.63 2jf0 h LEU 360 N -0.87 0.42 -0.27 0.59 3.38 -0.69 0.19 115.31 118.05 2jf0 h LEU 360 Ca -0.04 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2jf0 h LEU 360 Cb 0.51 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2jf0 h LEU 360 CO 0.06 0.17 0.10 0.00 0.09 0.00 0.00 178.44 178.86 2jf0 h ALA 361 N 1.55 0.35 -0.51 1.53 0.00 -0.80 -2.65 119.26 118.73 2jf0 h ALA 361 Ca 0.44 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 2jf0 h ALA 361 Cb 0.63 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2jf0 h ALA 361 CO -0.38 -0.03 0.27 0.78 0.00 0.00 0.00 179.25 179.89 2jf0 h GLY 362 N 0.28 0.75 1.16 0.00 0.00 0.26 -2.46 103.07 103.06 2jf0 h GLY 362 Ca 0.09 -0.33 -0.06 0.00 0.00 0.00 0.00 47.33 47.03 2jf0 h GLY 362 CO -0.01 0.32 0.20 -2.08 0.00 0.00 0.00 176.54 174.97 2jf0 h VAL 363 N 0.71 1.25 -0.84 4.60 2.07 -0.41 0.52 116.25 124.16 2jf0 h VAL 363 Ca 0.18 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 2jf0 h VAL 363 Cb 0.04 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.29 2jf0 h VAL 363 CO -0.03 0.34 0.39 0.03 0.02 0.00 0.00 177.57 178.33 2jf0 h ARG 364 N 1.01 1.21 0.03 1.57 2.47 -1.11 0.26 114.38 119.83 2jf0 h ARG 364 Ca 0.22 -0.19 -0.28 0.00 -1.26 0.00 0.00 59.98 58.48 2jf0 h ARG 364 Cb 0.30 -0.21 0.02 0.00 -1.65 0.00 0.00 29.97 28.43 2jf0 h ARG 364 CO -0.01 0.94 -1.10 0.82 0.56 0.00 0.00 179.97 181.19 2jf0 h ILE 365 N 1.19 1.28 0.00 2.04 2.04 -1.02 -2.94 117.51 120.11 2jf0 h ILE 365 Ca 0.29 -2.31 -0.08 0.00 1.00 0.00 0.00 64.86 63.76 2jf0 h ILE 365 Cb 0.13 2.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.66 2jf0 h ILE 365 CO -0.03 0.71 -0.40 1.23 0.00 0.00 0.00 178.15 179.66 2jf0 h GLY 366 N 0.40 0.00 -6.26 5.37 0.00 0.14 -2.33 103.07 100.40 2jf0 h GLY 366 Ca -0.14 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.59 2jf0 h GLY 366 CO 0.21 0.00 -0.74 -0.62 0.00 0.00 0.00 176.54 175.40 2jf0 n VAL 367 N -3.34 1.35 0.22 4.60 0.31 0.92 -4.84 118.33 117.55 2jf0 n VAL 367 Ca 0.01 -4.80 0.06 0.00 -0.01 0.00 0.00 64.34 59.61 2jf0 n VAL 367 Cb 0.60 -2.05 0.50 0.00 -0.91 0.00 0.00 33.84 31.98 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 4.34 0.00 -0.01 5.55 0.13 -1.59 -1.12 132.00 139.30 2jf0 h PRO 368 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2jf0 h PRO 368 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 2jf0 h PRO 368 CO 0.71 0.25 0.00 1.04 -0.23 0.00 0.00 178.00 179.77 2jf0 n GLN 369 N -3.96 1.16 -2.68 0.86 3.00 -1.26 -4.87 117.38 109.62 2jf0 n GLN 369 Ca -0.02 -0.23 -0.41 0.00 -0.01 0.00 0.00 57.00 56.32 2jf0 n GLN 369 Cb 0.33 -1.45 -0.04 0.00 0.00 0.00 0.00 30.24 29.08 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 -1.99 3.23 1.30 -1.58 0.00 -0.42 -5.04 121.76 117.27 2jf0 s ALA 370 Ca 0.41 0.60 -0.20 0.00 0.00 0.00 0.00 51.96 52.78 2jf0 s ALA 370 Cb 0.20 -3.32 0.32 0.00 0.00 0.00 0.00 23.12 20.32 2jf0 s ALA 370 CO 0.33 -0.15 1.01 -1.54 0.00 0.00 0.00 175.76 175.41 2jf0 s SER 371 N 0.43 -0.03 0.22 0.00 1.04 -1.26 -4.73 113.70 109.38 2jf0 s SER 371 Ca 0.50 0.89 -0.06 0.00 0.48 0.00 0.00 55.95 57.75 2jf0 s SER 371 Cb -0.23 -1.29 0.20 0.00 0.10 0.00 0.00 66.02 64.80 2jf0 s SER 371 CO 0.30 -4.73 1.76 0.44 0.98 0.00 0.00 173.24 171.99 2jf0 h ASP 372 N -2.99 1.02 0.49 7.02 5.19 -1.98 -1.49 116.42 123.67 2jf0 h ASP 372 Ca -0.47 -0.19 -0.02 0.00 -0.62 0.00 0.00 57.03 55.73 2jf0 h ASP 372 Cb 1.33 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 40.57 2jf0 h ASP 372 CO 0.35 0.95 -0.23 0.25 -3.12 0.00 0.00 179.24 177.44 2jf0 h LEU 373 N 1.05 -0.55 -0.66 1.55 5.85 -1.96 -0.19 115.31 120.39 2jf0 h LEU 373 Ca 0.23 -0.05 0.14 0.00 0.84 0.00 0.00 57.88 59.04 2jf0 h LEU 373 Cb 0.30 0.14 -0.11 0.00 0.37 0.00 0.00 40.66 41.36 2jf0 h LEU 373 CO -0.01 -0.28 0.02 0.00 -0.34 0.00 0.00 178.44 177.84 2jf0 h ALA 374 N -0.39 0.68 -0.53 1.25 0.00 -1.85 0.34 119.26 118.76 2jf0 h ALA 374 Ca -0.07 0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 2jf0 h ALA 374 Cb 0.57 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2jf0 h ALA 374 CO 0.11 -0.39 0.01 0.00 0.00 0.00 0.00 179.25 178.98 2jf0 h ALA 375 N 1.60 1.04 -0.46 0.00 0.00 -1.14 0.86 119.26 121.16 2jf0 h ALA 375 Ca 0.35 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2jf0 h ALA 375 Cb 0.59 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2jf0 h ALA 375 CO -0.56 0.60 0.10 0.93 0.00 0.00 0.00 179.25 180.33 2jf0 h GLU 376 N 0.82 0.75 -0.15 0.00 4.39 0.64 0.02 114.58 121.04 2jf0 h GLU 376 Ca 0.16 -0.19 0.05 0.00 0.34 0.00 0.00 59.36 59.72 2jf0 h GLU 376 Cb 0.47 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.97 2jf0 h GLU 376 CO 0.02 0.75 -0.16 0.00 -1.16 0.00 0.00 179.01 178.46 2jf0 h ALA 377 N 0.97 -0.06 -0.51 3.43 0.00 0.57 0.73 119.26 124.39 2jf0 h ALA 377 Ca 0.14 0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.21 2jf0 h ALA 377 Cb 0.35 0.33 -0.08 0.00 0.00 0.00 0.00 17.79 18.38 2jf0 h ALA 377 CO 0.00 -0.60 0.03 0.28 0.00 0.00 0.00 179.25 178.96 2jf0 h VAL 378 N -0.18 0.63 -0.47 0.00 2.07 -0.57 0.90 116.25 118.63 2jf0 h VAL 378 Ca 0.10 -0.05 -0.13 0.00 0.82 0.00 0.00 66.70 67.44 2jf0 h VAL 378 Cb 0.34 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 2jf0 h VAL 378 CO -0.26 0.03 -0.22 0.58 0.02 0.00 0.00 177.57 177.72 2jf0 h VAL 379 N 0.15 1.27 -0.22 2.57 2.07 0.05 0.55 116.25 122.69 2jf0 h VAL 379 Ca 0.26 -1.38 0.02 0.00 0.82 0.00 0.00 66.70 66.42 2jf0 h VAL 379 Cb 0.38 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 2jf0 h VAL 379 CO -0.40 0.47 0.10 -0.07 0.02 0.00 0.00 177.57 177.69 2jf0 h LEU 380 N 0.83 0.14 -0.95 2.57 -0.00 0.13 0.32 115.31 118.36 2jf0 h LEU 380 Ca 0.11 0.01 -0.08 0.00 -0.00 0.00 0.00 57.88 57.91 2jf0 h LEU 380 Cb 0.79 -0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 41.43 2jf0 h LEU 380 CO 0.07 0.11 -0.14 -0.74 -0.00 0.00 0.00 178.44 177.74 2jf0 h HIS 381 N 0.22 0.66 0.00 1.13 2.76 0.13 -3.24 115.15 116.81 2jf0 h HIS 381 Ca 0.09 -0.12 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 2jf0 h HIS 381 Cb 0.03 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 28.82 2jf0 h HIS 381 CO -0.10 0.72 -1.13 0.66 -1.30 0.00 0.00 177.93 176.78 2jf0 n TYR 382 N -4.17 0.04 -2.03 5.26 4.02 0.14 -4.85 117.16 115.57 2jf0 n TYR 382 Ca 0.01 0.01 -0.42 0.00 -0.01 0.00 0.00 57.90 57.49 2jf0 n TYR 382 Cb 0.35 -0.17 -0.03 0.00 -0.02 0.00 0.00 39.34 39.48 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 -3.11 2.79 -0.74 -0.72 2.01 0.09 -4.86 115.64 111.09 2jf0 s THR 383 Ca 0.05 0.61 -0.26 0.00 0.31 0.00 0.00 61.69 62.40 2jf0 s THR 383 Cb 0.16 -3.39 0.04 0.00 0.01 0.00 0.00 72.50 69.31 2jf0 s THR 383 CO 0.85 0.07 1.25 -0.62 -0.69 0.00 0.00 174.62 175.48 2jf0 s ASP 384 N 0.73 6.18 0.13 3.53 2.15 -1.26 -4.92 116.67 123.20 2jf0 s ASP 384 Ca 0.63 -0.57 0.14 0.00 0.43 0.00 0.00 52.55 53.19 2jf0 s ASP 384 Cb -0.41 -2.54 0.65 0.00 -0.30 0.00 0.00 42.92 40.31 2jf0 s ASP 384 CO 0.37 -1.77 1.43 0.79 -0.17 0.00 0.00 175.17 175.82 2jf0 n TRP 385 N 9.13 0.34 0.01 -5.34 7.02 -1.26 -0.86 117.44 126.48 2jf0 n TRP 385 Ca 0.03 0.15 -0.11 0.00 -1.02 0.00 0.00 57.50 56.56 2jf0 n TRP 385 Cb 0.49 -0.75 0.03 0.00 -2.42 0.00 0.00 31.31 28.65 2jf0 n TRP 385 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 2jf0 h LEU 386 N 0.00 0.63 -6.10 -0.99 4.07 -2.03 -3.38 115.31 107.51 2jf0 h LEU 386 Ca 0.00 -0.37 -0.57 0.00 0.08 0.00 0.00 57.88 57.02 2jf0 h LEU 386 Cb 0.15 -0.18 -0.39 0.00 1.08 0.00 0.00 40.66 41.32 2jf0 h LEU 386 CO 0.00 1.11 -1.02 1.41 -1.08 0.00 0.00 178.44 178.85 2jf0 n HIS 387 N -3.92 0.02 0.25 1.13 8.25 -0.04 -4.97 115.22 115.95 2jf0 n HIS 387 Ca -0.04 -3.60 0.05 0.00 -0.26 0.00 0.00 57.72 53.88 2jf0 n HIS 387 Cb 0.66 -0.28 0.25 0.00 1.12 0.00 0.00 29.99 31.74 2jf0 n HIS 387 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2jf0 n PRO 388 N 1.59 0.04 0.00 -0.41 -0.04 -0.24 -2.31 135.00 133.63 2jf0 n PRO 388 Ca 0.23 0.42 0.04 0.00 -0.04 0.00 0.00 63.50 64.16 2jf0 n PRO 388 Cb 0.51 -1.61 -0.04 0.00 -0.04 0.00 0.00 33.50 32.32 2jf0 n PRO 388 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2jf0 n GLU 389 N -1.69 3.62 -1.92 0.54 -0.58 -1.26 -4.78 120.64 114.57 2jf0 n GLU 389 Ca 0.01 -0.11 -0.43 0.00 -0.42 0.00 0.00 57.16 56.22 2jf0 n GLU 389 Cb 0.09 -0.96 -0.03 0.00 -0.57 0.00 0.00 31.44 29.98 2jf0 n GLU 389 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2jf0 s ASP 390 N -1.78 6.23 0.37 1.62 2.15 -0.98 -4.66 116.67 119.62 2jf0 s ASP 390 Ca 0.04 1.93 0.17 0.00 0.43 0.00 0.00 52.55 55.13 2jf0 s ASP 390 Cb 0.07 -2.53 0.69 0.00 -0.30 0.00 0.00 42.92 40.85 2jf0 s ASP 390 CO 0.36 -1.33 1.75 -0.65 -0.17 0.00 0.00 175.17 175.13 2jf0 h PRO 391 N 11.47 0.00 -0.25 4.34 0.11 -1.91 -0.64 132.00 145.11 2jf0 h PRO 391 Ca -0.39 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.65 2jf0 h PRO 391 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2jf0 h PRO 391 CO 0.98 0.40 -0.14 1.15 -0.21 0.00 0.00 178.00 180.18 2jf0 h THR 392 N 0.00 1.30 -0.52 -1.15 2.02 -1.89 -0.51 112.91 112.16 2jf0 h THR 392 Ca -0.00 -1.24 -0.01 0.00 0.77 0.00 0.00 66.41 65.93 2jf0 h THR 392 Cb 0.85 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.81 2jf0 h THR 392 CO 0.05 0.39 0.28 -0.74 0.37 0.00 0.00 175.52 175.87 2jf0 h HIS 393 N 0.26 0.71 -0.64 3.16 -0.00 -1.71 -1.90 115.15 115.02 2jf0 h HIS 393 Ca 0.05 -0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.35 2jf0 h HIS 393 Cb 0.66 -0.23 -0.03 0.00 -0.00 0.00 0.00 27.41 27.81 2jf0 h HIS 393 CO 0.06 0.53 0.19 -0.07 -0.00 0.00 0.00 177.93 178.64 2jf0 h LEU 394 N 0.69 0.95 -0.45 0.26 3.38 -0.98 0.54 115.31 119.70 2jf0 h LEU 394 Ca 0.18 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 57.99 2jf0 h LEU 394 Cb 0.05 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 2jf0 h LEU 394 CO -0.03 0.91 0.20 -0.09 0.09 0.00 0.00 178.44 179.52 2jf0 h ARG 395 N 0.93 0.39 -0.01 1.13 1.12 -1.01 0.70 114.38 117.64 2jf0 h ARG 395 Ca 0.21 -0.02 -0.18 0.00 -1.11 0.00 0.00 59.98 58.87 2jf0 h ARG 395 Cb 0.31 -0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 30.17 2jf0 h ARG 395 CO -0.00 0.26 -0.83 -0.44 -3.11 0.00 0.00 179.97 175.84 2jf0 h ASP 396 N 0.40 0.21 1.26 -3.80 3.32 -0.45 -1.91 116.42 115.45 2jf0 h ASP 396 Ca 0.20 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 2jf0 h ASP 396 Cb 0.15 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 2jf0 h ASP 396 CO -0.17 0.94 -0.22 0.00 -1.72 0.00 0.00 179.24 178.07 2jf0 h ALA 397 N 1.05 0.93 -0.04 3.45 0.00 0.33 0.84 119.26 125.82 2jf0 h ALA 397 Ca -0.03 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 2jf0 h ALA 397 Cb 1.44 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2jf0 h ALA 397 CO 0.12 0.28 -0.08 1.98 0.00 0.00 0.00 179.25 181.55 2jf0 h MET 398 N 0.00 0.12 -0.27 0.00 1.85 -0.50 0.17 114.93 116.30 2jf0 h MET 398 Ca -0.00 -0.08 0.06 0.00 -0.61 0.00 0.00 59.70 59.07 2jf0 h MET 398 Cb 0.91 0.01 -0.08 0.00 0.43 0.00 0.00 31.60 32.88 2jf0 h MET 398 CO 0.03 0.67 -0.33 1.03 -0.40 0.00 0.00 176.91 177.91 2jf0 h SER 399 N -0.41 -1.06 -0.13 1.39 0.87 -1.08 -1.95 113.55 111.19 2jf0 h SER 399 Ca 0.00 0.17 0.02 0.00 -1.23 0.00 0.00 61.79 60.75 2jf0 h SER 399 Cb 0.67 0.47 -0.02 0.00 -0.44 0.00 0.00 62.40 63.08 2jf0 h SER 399 CO 0.02 -0.34 0.01 0.00 -0.53 0.00 0.00 176.83 175.98 2jf0 h ALA 400 N 0.58 0.11 -0.39 6.23 0.00 -0.71 0.59 119.26 125.67 2jf0 h ALA 400 Ca 0.13 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.16 2jf0 h ALA 400 Cb 0.54 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.30 2jf0 h ALA 400 CO -0.45 -0.45 -0.23 0.28 0.00 0.00 0.00 179.25 178.40 2jf0 h VAL 401 N 0.05 0.36 -0.46 0.00 2.07 -0.42 1.29 116.25 119.14 2jf0 h VAL 401 Ca 0.06 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.45 2jf0 h VAL 401 Cb 0.07 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 2jf0 h VAL 401 CO -0.10 0.00 -0.23 0.58 0.02 0.00 0.00 177.57 177.84 2jf0 h VAL 402 N -0.16 1.27 -0.02 2.57 2.07 -0.69 0.10 116.25 121.39 2jf0 h VAL 402 Ca 0.19 -1.39 -0.00 0.00 0.82 0.00 0.00 66.70 66.32 2jf0 h VAL 402 Cb 0.46 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2jf0 h VAL 402 CO -0.49 0.48 -0.00 1.23 0.02 0.00 0.00 177.57 178.80 2jf0 h GLY 403 N 0.89 0.03 0.95 2.17 0.00 0.10 -2.40 103.07 104.81 2jf0 h GLY 403 Ca 0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 2jf0 h GLY 403 CO 0.07 0.02 0.14 -0.55 0.00 0.00 0.00 176.54 176.22 2jf0 h ASP 404 N -0.31 0.62 0.24 0.19 3.32 0.17 0.54 116.42 121.19 2jf0 h ASP 404 Ca 0.00 -0.20 -0.11 0.00 0.02 0.00 0.00 57.03 56.74 2jf0 h ASP 404 Cb 0.36 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 2jf0 h ASP 404 CO 0.00 0.66 -0.43 -0.74 -1.72 0.00 0.00 179.24 177.01 2jf0 h HIS 405 N 0.55 0.29 0.00 4.55 2.76 -0.81 0.24 115.15 122.73 2jf0 h HIS 405 Ca 0.14 -0.08 -0.25 0.00 -2.20 0.00 0.00 60.37 57.98 2jf0 h HIS 405 Cb 0.26 -0.06 -0.05 0.00 1.55 0.00 0.00 27.41 29.11 2jf0 h HIS 405 CO 0.01 0.64 -2.13 0.09 -1.30 0.00 0.00 177.93 175.24 2jf0 n ASN 406 N -4.01 0.63 0.02 3.26 3.02 -0.91 -4.52 115.26 112.76 2jf0 n ASN 406 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 2jf0 n ASN 406 Cb 0.49 1.16 0.00 0.00 -0.61 0.00 0.00 39.78 40.82 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 -2.54 0.20 -0.06 2.41 0.31 0.06 -4.64 118.33 114.07 2jf0 n VAL 407 Ca -0.23 0.07 -0.07 0.00 -0.01 0.00 0.00 64.34 64.09 2jf0 n VAL 407 Cb 0.94 -0.79 -0.02 0.00 -0.91 0.00 0.00 33.84 33.06 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 0.77 -0.08 2.52 2.07 -1.28 0.39 116.25 120.64 2jf0 h VAL 408 Ca 0.00 -0.01 -0.20 0.00 0.82 0.00 0.00 66.70 67.32 2jf0 h VAL 408 Cb 0.00 0.75 0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2jf0 h VAL 408 CO 0.00 0.00 -0.72 0.00 0.02 0.00 0.00 177.57 176.87 2jf0 h PRO 410 N 0.28 0.37 -0.50 0.00 0.11 -1.65 0.19 132.00 130.80 2jf0 h PRO 410 Ca -0.07 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.91 2jf0 h PRO 410 Cb 1.37 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.39 2jf0 h PRO 410 CO 0.15 0.24 -0.13 0.28 -0.21 0.00 0.00 178.00 178.33 2jf0 h VAL 411 N 0.38 1.27 0.01 3.15 2.07 0.31 0.46 116.25 123.90 2jf0 h VAL 411 Ca 0.49 -1.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 2jf0 h VAL 411 Cb 0.87 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 2jf0 h VAL 411 CO -0.50 0.44 -0.01 0.00 0.02 0.00 0.00 177.57 177.52 2jf0 h ALA 412 N 0.89 -0.02 -0.28 1.67 0.00 -0.46 0.81 119.26 121.88 2jf0 h ALA 412 Ca 0.12 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2jf0 h ALA 412 Cb 0.69 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 2jf0 h ALA 412 CO 0.05 -0.45 -0.12 0.37 0.00 0.00 0.00 179.25 179.10 2jf0 h GLN 413 N -0.13 -0.07 0.19 0.00 5.75 -0.39 0.27 115.11 120.73 2jf0 h GLN 413 Ca -0.00 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 2jf0 h GLN 413 Cb 0.12 0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.69 2jf0 h GLN 413 CO 0.00 -0.05 -0.09 1.25 -2.65 0.00 0.00 178.83 177.29 2jf0 h LEU 414 N -0.08 -0.22 -1.14 -2.39 5.85 0.48 0.30 115.31 118.12 2jf0 h LEU 414 Ca 0.15 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.90 2jf0 h LEU 414 Cb 0.29 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 2jf0 h LEU 414 CO -0.33 -0.14 0.59 0.00 -0.34 0.00 0.00 178.44 178.22 2jf0 h ALA 415 N 0.52 1.46 0.79 1.25 0.00 0.11 0.36 119.26 123.75 2jf0 h ALA 415 Ca -0.03 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2jf0 h ALA 415 Cb 0.22 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.71 2jf0 h ALA 415 CO 0.04 0.44 -0.38 0.78 0.00 0.00 0.00 179.25 180.14 2jf0 h GLY 416 N 1.10 -1.11 1.23 0.00 0.00 -0.23 -0.15 103.07 103.90 2jf0 h GLY 416 Ca 0.37 0.41 0.01 0.00 0.00 0.00 0.00 47.33 48.12 2jf0 h GLY 416 CO -0.12 -0.40 0.51 3.21 0.00 0.00 0.00 176.54 179.74 2jf0 h ARG 417 N -1.24 0.99 0.36 4.80 2.47 -0.67 0.14 114.38 121.24 2jf0 h ARG 417 Ca -0.11 -0.06 -0.02 0.00 -1.26 0.00 0.00 59.98 58.53 2jf0 h ARG 417 Cb 0.81 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.91 2jf0 h ARG 417 CO 0.18 0.66 -0.17 -0.07 0.56 0.00 0.00 179.97 181.12 2jf0 h LEU 418 N 1.02 -0.41 -0.24 3.04 4.07 -0.95 -1.94 115.31 119.91 2jf0 h LEU 418 Ca 0.29 -0.11 0.06 0.00 0.08 0.00 0.00 57.88 58.20 2jf0 h LEU 418 Cb -0.09 0.11 -0.07 0.00 1.08 0.00 0.00 40.66 41.69 2jf0 h LEU 418 CO -0.07 -0.12 -0.24 0.00 -1.08 0.00 0.00 178.44 176.94 2jf0 h ALA 419 N -0.17 -0.13 -0.12 1.53 0.00 -0.49 -1.40 119.26 118.48 2jf0 h ALA 419 Ca -0.05 0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.97 2jf0 h ALA 419 Cb 0.50 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2jf0 h ALA 419 CO 0.08 -0.67 0.18 0.00 0.00 0.00 0.00 179.25 178.84 2jf0 h ALA 420 N 0.80 1.61 -0.34 0.00 0.00 -0.66 -1.70 119.26 118.97 2jf0 h ALA 420 Ca 0.14 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 2jf0 h ALA 420 Cb 0.46 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.15 2jf0 h ALA 420 CO -0.39 -0.24 -0.13 1.04 0.00 0.00 0.00 179.25 179.54 2jf0 n GLN 421 N -3.58 1.84 0.00 0.00 3.00 -0.59 -4.98 117.38 113.07 2jf0 n GLN 421 Ca 0.00 -3.23 0.00 0.00 -0.01 0.00 0.00 57.00 53.77 2jf0 n GLN 421 Cb 0.28 -1.81 0.00 0.00 0.00 0.00 0.00 30.24 28.71 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 -1.12 2.55 3.72 1.08 0.00 -0.64 -0.82 105.19 109.96 2jf0 n GLY 422 Ca 0.33 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.95 2jf0 n GLY 422 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jf0 n ALA 423 N -0.23 1.45 -2.63 4.61 0.00 -0.15 -4.47 120.51 119.09 2jf0 n ALA 423 Ca 0.00 0.18 -0.42 0.00 0.00 0.00 0.00 53.44 53.20 2jf0 n ALA 423 Cb 0.00 -2.31 -0.04 0.00 0.00 0.00 0.00 19.45 17.10 2jf0 n ALA 423 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2jf0 s ARG 424 N -2.58 4.11 -0.12 0.00 3.52 0.15 -4.27 118.95 119.75 2jf0 s ARG 424 Ca 0.67 0.88 0.02 0.00 -0.13 0.00 0.00 55.73 57.17 2jf0 s ARG 424 Cb -0.45 -3.68 -0.00 0.00 -1.56 0.00 0.00 34.95 29.26 2jf0 s ARG 424 CO 0.53 -0.62 -0.20 0.08 -0.81 0.00 0.00 175.30 174.28 2jf0 s VAL 425 N 2.99 2.36 -0.14 7.11 1.01 -1.25 0.44 120.40 132.92 2jf0 s VAL 425 Ca 0.36 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 2jf0 s VAL 425 Cb -0.15 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 2jf0 s VAL 425 CO 0.10 0.54 -0.12 -0.31 0.00 0.00 0.00 175.10 175.31 2jf0 s TYR 426 N 0.52 2.84 0.02 5.22 1.51 0.15 0.20 117.35 127.80 2jf0 s TYR 426 Ca -0.13 -0.68 0.07 0.00 -1.01 0.00 0.00 57.07 55.33 2jf0 s TYR 426 Cb -0.17 -1.88 -0.03 0.00 -0.11 0.00 0.00 41.96 39.78 2jf0 s TYR 426 CO 0.05 -0.25 -0.22 0.00 -1.11 0.00 0.00 175.55 174.02 2jf0 s ALA 427 N 0.47 2.41 0.15 3.71 0.00 -1.25 0.12 121.76 127.38 2jf0 s ALA 427 Ca -0.09 -1.17 -0.00 0.00 0.00 0.00 0.00 51.96 50.70 2jf0 s ALA 427 Cb -0.16 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 2jf0 s ALA 427 CO 0.04 0.55 0.04 1.52 0.00 0.00 0.00 175.76 177.92 2jf0 s TYR 428 N -0.79 1.00 -0.08 0.00 -0.85 -0.31 -1.79 117.35 114.53 2jf0 s TYR 428 Ca 0.12 -1.17 0.02 0.00 -0.52 0.00 0.00 57.07 55.52 2jf0 s TYR 428 Cb -0.10 -0.57 0.02 0.00 0.38 0.00 0.00 41.96 41.69 2jf0 s TYR 428 CO 0.02 -0.42 -0.11 -1.50 -1.52 0.00 0.00 175.55 172.02 2jf0 s ILE 429 N -3.92 1.09 -0.20 -3.49 2.07 -0.19 -2.13 121.20 114.43 2jf0 s ILE 429 Ca 0.25 -0.42 -0.14 0.00 -1.41 0.00 0.00 60.65 58.93 2jf0 s ILE 429 Cb 0.07 -1.03 -0.04 0.00 0.13 0.00 0.00 42.46 41.59 2jf0 s ILE 429 CO 0.03 0.35 0.33 0.12 -1.91 0.00 0.00 174.94 173.87 2jf0 s PHE 430 N 0.94 3.38 0.00 3.50 2.19 0.55 -0.38 117.98 128.16 2jf0 s PHE 430 Ca -0.09 0.53 0.00 0.00 0.33 0.00 0.00 56.93 57.70 2jf0 s PHE 430 Cb -0.15 -2.45 0.00 0.00 -1.31 0.00 0.00 43.02 39.12 2jf0 s PHE 430 CO 0.00 0.04 0.49 0.39 1.83 0.00 0.00 175.22 177.97 2jf0 n GLU 431 N 4.29 0.34 -3.10 10.12 1.02 0.13 -0.54 120.64 132.91 2jf0 n GLU 431 Ca -0.10 -0.60 -0.41 0.00 -0.02 0.00 0.00 57.16 56.03 2jf0 n GLU 431 Cb 0.51 -0.79 -0.06 0.00 -0.02 0.00 0.00 31.44 31.08 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 -0.23 3.29 -0.20 -0.32 2.46 -1.17 -4.89 115.29 114.24 2jf0 s HIS 432 Ca 0.00 0.85 -0.28 0.00 0.47 0.00 0.00 55.06 56.10 2jf0 s HIS 432 Cb 0.00 -2.85 0.00 0.00 -0.13 0.00 0.00 32.58 29.60 2jf0 s HIS 432 CO 0.00 -0.32 0.97 0.50 -2.47 0.00 0.00 174.74 173.42 2jf0 s ARG 433 N 2.47 4.28 0.27 2.88 3.52 -1.26 -4.89 118.95 126.22 2jf0 s ARG 433 Ca 0.27 1.24 -0.30 0.00 -0.13 0.00 0.00 55.73 56.81 2jf0 s ARG 433 Cb -0.15 -3.62 -0.13 0.00 -1.56 0.00 0.00 34.95 29.49 2jf0 s ARG 433 CO 0.08 -0.52 1.38 0.00 -0.81 0.00 0.00 175.30 175.44 2jf0 n ALA 434 N 5.90 1.21 0.26 6.12 0.00 -1.26 -4.85 120.51 127.90 2jf0 n ALA 434 Ca 0.09 0.40 0.11 0.00 0.00 0.00 0.00 53.44 54.04 2jf0 n ALA 434 Cb 0.47 -2.27 0.72 0.00 0.00 0.00 0.00 19.45 18.37 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 3.75 0.00 -0.20 0.00 4.64 -1.95 -2.68 113.55 117.12 2jf0 h SER 435 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2jf0 h SER 435 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2jf0 h SER 435 CO 0.72 0.08 0.00 0.35 -0.87 0.00 0.00 176.83 177.11 2jf0 n THR 436 N -4.00 0.26 -1.76 2.95 -2.24 -1.26 -4.95 114.28 103.27 2jf0 n THR 436 Ca -0.03 -0.40 -0.41 0.00 -2.27 0.00 0.00 64.05 60.94 2jf0 n THR 436 Cb 0.17 0.43 -0.01 0.00 -2.10 0.00 0.00 70.33 68.82 2jf0 n THR 436 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2jf0 n LEU 437 N 0.46 4.59 -0.03 3.22 7.94 -1.01 -4.88 117.00 127.28 2jf0 n LEU 437 Ca 0.16 1.19 0.08 0.00 -1.11 0.00 0.00 56.01 56.33 2jf0 n LEU 437 Cb 0.36 -1.61 -0.09 0.00 0.53 0.00 0.00 43.42 42.61 2jf0 n LEU 437 CO 0.13 0.17 -0.01 0.35 -1.11 0.00 0.00 177.39 176.91 2jf0 n THR 438 N 1.31 0.00 -2.38 1.96 -2.24 -1.26 -4.92 114.28 106.75 2jf0 n THR 438 Ca 0.05 -0.12 -0.35 0.00 -2.27 0.00 0.00 64.05 61.36 2jf0 n THR 438 Cb 0.38 1.02 -0.02 0.00 -2.10 0.00 0.00 70.33 69.61 2jf0 n THR 438 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 2jf0 s TRP 439 N -2.54 2.87 0.85 4.78 0.52 -1.26 -4.90 118.94 119.26 2jf0 s TRP 439 Ca 0.07 1.56 -0.11 0.00 0.02 0.00 0.00 56.10 57.64 2jf0 s TRP 439 Cb 0.13 -3.22 0.11 0.00 -1.15 0.00 0.00 33.47 29.34 2jf0 s TRP 439 CO 0.67 -1.23 1.15 -1.25 0.02 0.00 0.00 176.95 176.31 2jf0 s PRO 440 N -3.09 1.49 0.35 4.98 0.04 -1.26 -4.88 135.00 132.64 2jf0 s PRO 440 Ca 0.68 1.52 0.09 0.00 0.04 0.00 0.00 61.00 63.33 2jf0 s PRO 440 Cb -0.22 -1.78 0.83 0.00 0.04 0.00 0.00 34.50 33.37 2jf0 s PRO 440 CO 0.26 -2.28 1.84 -0.07 0.04 0.00 0.00 177.00 176.79 2jf0 h LEU 441 N -1.40 0.66 -2.38 -3.56 3.38 -1.93 -1.99 115.31 108.08 2jf0 h LEU 441 Ca -0.44 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.58 2jf0 h LEU 441 Cb 1.27 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 2jf0 h LEU 441 CO 0.45 0.29 -0.02 4.11 0.09 0.00 0.00 178.44 183.37 2jf0 h TRP 442 N 0.68 0.00 0.00 1.13 5.08 -1.92 -0.37 115.95 120.55 2jf0 h TRP 442 Ca 0.50 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.47 2jf0 h TRP 442 Cb 0.85 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.01 2jf0 h TRP 442 CO -0.00 0.02 0.00 -1.33 -1.28 0.00 0.00 178.44 175.85 2jf0 n MET 443 N -3.83 0.30 0.00 0.12 2.81 -0.75 -4.95 117.12 110.82 2jf0 n MET 443 Ca -0.03 0.06 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 2jf0 n MET 443 Cb 0.11 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 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 0.85 3.57 3.21 3.03 0.00 -0.15 -3.41 105.19 112.28 2jf0 n GLY 444 Ca 0.11 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 4.30 0.74 1.61 1.01 -1.26 -4.84 120.40 121.96 2jf0 s VAL 445 Ca 0.00 -2.07 -0.12 0.00 0.00 0.00 0.00 61.98 59.80 2jf0 s VAL 445 Cb 0.00 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.61 2jf0 s VAL 445 CO 0.00 -0.83 1.11 -2.84 0.00 0.00 0.00 175.10 172.54 2jf0 s PRO 446 N 0.98 2.59 0.53 2.72 0.02 -1.22 -1.06 135.00 139.56 2jf0 s PRO 446 Ca 0.09 0.45 -0.17 0.00 0.02 0.00 0.00 61.00 61.38 2jf0 s PRO 446 Cb -0.23 -1.99 -0.07 0.00 0.02 0.00 0.00 34.50 32.23 2jf0 s PRO 446 CO -0.02 -1.22 1.02 -3.38 -0.33 0.00 0.00 177.00 173.06 2jf0 s HIS 447 N -3.35 3.19 0.00 6.54 -3.43 -1.24 -2.34 115.29 114.66 2jf0 s HIS 447 Ca 0.59 1.52 0.00 0.00 -0.80 0.00 0.00 55.06 56.37 2jf0 s HIS 447 Cb -0.12 -2.93 0.00 0.00 -1.43 0.00 0.00 32.58 28.11 2jf0 s HIS 447 CO 0.52 -0.71 0.00 0.41 -2.00 0.00 0.00 174.74 172.96 2jf0 n GLY 448 N -1.04 3.33 1.52 -1.38 0.00 -1.26 -4.93 105.19 101.43 2jf0 n GLY 448 Ca 0.08 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.00 1.49 -0.04 1.61 4.02 -0.99 -2.49 117.16 118.76 2jf0 n TYR 449 Ca 0.00 -0.55 0.05 0.00 -0.01 0.00 0.00 57.90 57.38 2jf0 n TYR 449 Cb 0.00 -0.32 -0.16 0.00 -0.02 0.00 0.00 39.34 38.84 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 0.74 0.69 0.04 -0.72 0.00 -1.26 -4.64 120.64 115.48 2jf0 n GLU 450 Ca 0.22 -0.14 -0.11 0.00 0.00 0.00 0.00 57.16 57.14 2jf0 n GLU 450 Cb 0.90 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 30.79 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 0.56 -0.36 3.84 2.04 -1.87 0.46 117.51 122.17 2jf0 h ILE 451 Ca -0.16 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.81 2jf0 h ILE 451 Cb 1.34 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 2jf0 h ILE 451 CO 0.01 0.00 0.26 1.05 0.00 0.00 0.00 178.15 179.47 2jf0 h GLU 452 N -0.28 0.00 0.07 2.37 4.11 -1.77 0.14 114.58 119.22 2jf0 h GLU 452 Ca 0.07 -0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.49 2jf0 h GLU 452 Cb 0.37 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2jf0 h GLU 452 CO -0.20 0.00 -0.03 0.74 0.07 0.00 0.00 179.01 179.59 2jf0 h PHE 453 N 0.00 -0.08 -1.03 2.06 0.04 -1.25 0.51 116.94 117.19 2jf0 h PHE 453 Ca 0.17 -0.00 0.29 0.00 2.80 0.00 0.00 57.97 61.23 2jf0 h PHE 453 Cb 0.69 0.03 -0.13 0.00 2.20 0.00 0.00 35.95 38.74 2jf0 h PHE 453 CO -0.00 0.50 0.62 0.82 -0.60 0.00 0.00 178.31 179.65 2jf0 h ILE 454 N -0.81 0.43 -0.00 -0.55 1.08 -0.17 0.18 117.51 117.66 2jf0 h ILE 454 Ca -0.01 -0.15 0.00 0.00 -0.39 0.00 0.00 64.86 64.31 2jf0 h ILE 454 Cb 0.62 -0.04 0.00 0.00 -3.07 0.00 0.00 36.82 34.33 2jf0 h ILE 454 CO 0.01 0.08 -0.26 0.49 -0.69 0.00 0.00 178.15 177.78 2jf0 n PHE 455 N -4.89 0.00 -1.74 1.37 3.01 0.38 -4.25 117.46 111.34 2jf0 n PHE 455 Ca 0.29 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.68 2jf0 n PHE 455 Cb 0.89 -0.25 -0.01 0.00 -0.01 0.00 0.00 39.48 40.10 2jf0 n PHE 455 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jf0 n GLY 456 N 1.41 0.44 0.34 1.37 0.00 0.63 -4.11 105.19 105.27 2jf0 n GLY 456 Ca 0.09 -0.65 0.06 0.00 0.00 0.00 0.00 46.02 45.52 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 0.84 -1.63 0.99 4.07 -1.18 -1.09 115.31 117.31 2jf0 h LEU 457 Ca -0.16 0.05 0.15 0.00 0.08 0.00 0.00 57.88 58.00 2jf0 h LEU 457 Cb 0.84 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.45 2jf0 h LEU 457 CO 0.20 0.45 0.67 -0.65 -1.08 0.00 0.00 178.44 178.04 2jf0 h PRO 458 N 0.92 0.00 0.00 1.13 0.11 -1.90 0.45 132.00 132.72 2jf0 h PRO 458 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 2jf0 h PRO 458 Cb 0.46 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.57 2jf0 h PRO 458 CO -0.27 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 177.45 2jf0 h LEU 459 N 0.00 0.00 -8.74 2.35 4.07 -1.49 -3.41 115.31 108.10 2jf0 h LEU 459 Ca 0.24 0.00 -0.58 0.00 0.08 0.00 0.00 57.88 57.63 2jf0 h LEU 459 Cb 1.59 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 43.25 2jf0 h LEU 459 CO -0.00 0.00 0.79 -0.62 -1.08 0.00 0.00 178.44 177.52 2jf0 s ASP 460 N -5.05 6.62 0.35 -0.43 -1.08 0.16 -4.76 116.67 112.48 2jf0 s ASP 460 Ca -0.00 0.42 0.06 0.00 -0.52 0.00 0.00 52.55 52.51 2jf0 s ASP 460 Cb 0.10 -2.51 0.64 0.00 -1.46 0.00 0.00 42.92 39.68 2jf0 s ASP 460 CO 0.43 -1.12 1.87 1.55 0.52 0.00 0.00 175.17 178.42 2jf0 h PRO 461 N 9.01 0.44 0.00 4.34 0.13 -1.85 -0.91 132.00 143.15 2jf0 h PRO 461 Ca -0.23 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2jf0 h PRO 461 Cb 1.07 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2jf0 h PRO 461 CO 1.08 0.52 0.00 -1.13 -0.23 0.00 0.00 178.00 178.23 2jf0 n SER 462 N -4.26 0.20 -0.39 1.44 3.41 -1.26 -2.26 113.62 110.49 2jf0 n SER 462 Ca 0.01 0.59 0.14 0.00 -0.26 0.00 0.00 58.87 59.34 2jf0 n SER 462 Cb 0.27 -0.62 0.46 0.00 -0.26 0.00 0.00 64.21 64.06 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 -1.77 1.32 -0.29 1.04 4.77 -0.35 -4.97 117.00 116.76 2jf0 n LEU 463 Ca -0.00 -0.41 -0.04 0.00 -0.03 0.00 0.00 56.01 55.53 2jf0 n LEU 463 Cb 0.03 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.05 2jf0 n LEU 463 CO 0.04 0.23 -0.04 0.59 -1.33 0.00 0.00 177.39 176.89 2jf0 n ASN 464 N -0.16 -3.72 -4.79 -1.43 3.02 -0.96 -4.99 115.26 102.23 2jf0 n ASN 464 Ca 0.16 0.09 -0.34 0.00 -0.03 0.00 0.00 54.58 54.47 2jf0 n ASN 464 Cb 0.36 -1.55 0.00 0.00 -0.61 0.00 0.00 39.78 37.98 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 -2.05 2.87 0.84 3.10 2.02 -1.26 -4.84 117.35 118.02 2jf0 s TYR 465 Ca 0.00 1.54 -0.11 0.00 -0.37 0.00 0.00 57.07 58.13 2jf0 s TYR 465 Cb 0.00 -3.10 0.10 0.00 -0.40 0.00 0.00 41.96 38.56 2jf0 s TYR 465 CO 0.00 -1.22 1.13 0.95 -1.57 0.00 0.00 175.55 174.84 2jf0 s THR 466 N -2.18 2.64 0.25 -0.71 -4.23 -1.26 -4.84 115.64 105.31 2jf0 s THR 466 Ca 0.67 0.21 -0.05 0.00 -1.18 0.00 0.00 61.69 61.34 2jf0 s THR 466 Cb -0.18 -2.47 0.26 0.00 1.34 0.00 0.00 72.50 71.45 2jf0 s THR 466 CO 0.31 -0.26 1.91 0.74 -0.54 0.00 0.00 174.62 176.78 2jf0 h THR 467 N -1.44 1.20 -0.58 3.99 2.02 -1.96 -1.78 112.91 114.36 2jf0 h THR 467 Ca -0.44 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.30 2jf0 h THR 467 Cb 1.25 -0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 2jf0 h THR 467 CO 0.46 0.24 0.36 -0.33 0.37 0.00 0.00 175.52 176.62 2jf0 h GLU 468 N 1.29 0.78 -0.32 6.66 3.07 -1.99 -1.47 114.58 122.60 2jf0 h GLU 468 Ca 0.39 -0.06 -0.14 0.00 -0.50 0.00 0.00 59.36 59.06 2jf0 h GLU 468 Cb -0.04 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 27.69 2jf0 h GLU 468 CO -0.11 0.53 -0.33 0.93 -1.40 0.00 0.00 179.01 178.63 2jf0 h GLU 469 N 0.79 0.78 -0.38 2.33 5.08 -1.78 0.48 114.58 121.88 2jf0 h GLU 469 Ca 0.21 -0.42 0.07 0.00 -1.00 0.00 0.00 59.36 58.22 2jf0 h GLU 469 Cb -0.05 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.16 2jf0 h GLU 469 CO -0.04 1.05 0.03 -0.09 -1.00 0.00 0.00 179.01 178.96 2jf0 h ARG 470 N 0.55 0.14 -0.61 2.33 2.43 -0.70 0.46 114.38 118.97 2jf0 h ARG 470 Ca 0.05 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 2jf0 h ARG 470 Cb 0.91 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.41 2jf0 h ARG 470 CO 0.08 0.09 0.11 0.82 -1.51 0.00 0.00 179.97 179.56 2jf0 h ILE 471 N 0.14 1.25 -0.31 1.20 2.04 -1.11 -1.04 117.51 119.68 2jf0 h ILE 471 Ca 0.19 -0.96 -0.07 0.00 1.00 0.00 0.00 64.86 65.02 2jf0 h ILE 471 Cb 0.25 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 2jf0 h ILE 471 CO -0.29 0.36 -0.07 0.15 0.00 0.00 0.00 178.15 178.30 2jf0 h PHE 472 N 0.93 0.68 -0.71 1.37 3.57 -0.24 0.00 116.94 122.54 2jf0 h PHE 472 Ca 0.19 -0.14 0.05 0.00 3.53 0.00 0.00 57.97 61.59 2jf0 h PHE 472 Cb 0.39 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 38.91 2jf0 h PHE 472 CO 0.03 0.78 0.42 0.00 -2.23 0.00 0.00 178.31 177.31 2jf0 h ALA 473 N 0.80 0.94 -0.67 2.41 0.00 0.16 0.50 119.26 123.40 2jf0 h ALA 473 Ca 0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2jf0 h ALA 473 Cb 0.56 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2jf0 h ALA 473 CO 0.03 0.15 0.39 1.96 0.00 0.00 0.00 179.25 181.78 2jf0 h GLN 474 N 0.80 0.92 -0.12 0.00 4.20 -0.80 0.24 115.11 120.35 2jf0 h GLN 474 Ca 0.30 -0.09 0.03 0.00 0.06 0.00 0.00 58.65 58.95 2jf0 h GLN 474 Cb 0.11 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 2jf0 h GLN 474 CO -0.15 0.66 -0.06 0.00 -0.67 0.00 0.00 178.83 178.62 2jf0 h ARG 475 N 0.91 -0.05 -0.45 1.46 3.08 -0.32 -0.24 114.38 118.77 2jf0 h ARG 475 Ca 0.24 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.26 2jf0 h ARG 475 Cb -0.01 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 2jf0 h ARG 475 CO -0.04 -0.03 0.16 -0.07 -1.07 0.00 0.00 179.97 178.91 2jf0 h LEU 476 N -0.05 0.64 -1.17 3.04 3.38 -0.20 0.31 115.31 121.26 2jf0 h LEU 476 Ca 0.07 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.87 2jf0 h LEU 476 Cb 0.15 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 2jf0 h LEU 476 CO -0.15 0.66 0.56 0.24 0.09 0.00 0.00 178.44 179.85 2jf0 h MET 477 N 0.59 1.08 0.17 1.13 2.86 -0.46 0.14 114.93 120.45 2jf0 h MET 477 Ca 0.15 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 2jf0 h MET 477 Cb 0.24 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.66 2jf0 h MET 477 CO -0.01 0.72 -0.08 0.87 1.06 0.00 0.00 176.91 179.47 2jf0 h LYS 478 N 1.11 -0.22 0.03 1.72 1.79 0.42 0.44 116.57 121.86 2jf0 h LYS 478 Ca 0.33 0.02 0.03 0.00 -2.18 0.00 0.00 60.65 58.84 2jf0 h LYS 478 Cb -0.06 0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 30.59 2jf0 h LYS 478 CO -0.08 -0.07 -0.33 1.88 -1.08 0.00 0.00 179.45 179.77 2jf0 h TYR 479 N -0.33 -0.92 -0.06 -1.35 0.05 0.14 0.94 116.97 115.45 2jf0 h TYR 479 Ca -0.02 0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.80 2jf0 h TYR 479 Cb 0.26 0.40 -0.02 0.00 1.01 0.00 0.00 36.73 38.38 2jf0 h TYR 479 CO -0.04 -0.43 -0.04 -1.49 -1.05 0.00 0.00 178.16 175.12 2jf0 h TRP 480 N -0.50 -0.09 -0.05 4.88 6.55 -0.64 0.21 115.95 126.31 2jf0 h TRP 480 Ca 0.05 0.01 -0.14 0.00 0.95 0.00 0.00 58.89 59.76 2jf0 h TRP 480 Cb 0.58 0.05 -0.01 0.00 -0.86 0.00 0.00 29.16 28.91 2jf0 h TRP 480 CO -0.34 -0.06 -0.62 1.79 -1.05 0.00 0.00 178.44 178.16 2jf0 h THR 481 N -0.04 1.40 -0.26 1.49 1.35 -0.76 0.14 112.91 116.23 2jf0 h THR 481 Ca 0.04 -2.03 0.00 0.00 -0.55 0.00 0.00 66.41 63.87 2jf0 h THR 481 Cb 0.09 2.05 -0.01 0.00 -1.73 0.00 0.00 68.15 68.55 2jf0 h THR 481 CO -0.08 0.60 0.17 0.78 -0.25 0.00 0.00 175.52 176.74 2jf0 h ASN 482 N 0.14 0.30 -0.88 5.36 2.35 0.14 0.71 115.58 123.70 2jf0 h ASN 482 Ca -0.01 -0.01 0.08 0.00 -0.55 0.00 0.00 56.30 55.81 2jf0 h ASN 482 Cb 1.12 -0.07 -0.06 0.00 0.05 0.00 0.00 38.32 39.36 2jf0 h ASN 482 CO 0.09 0.22 0.57 0.15 -1.65 0.00 0.00 177.43 176.81 2jf0 h PHE 483 N 0.35 0.97 -0.35 1.19 3.57 -0.18 0.29 116.94 122.79 2jf0 h PHE 483 Ca 0.10 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.55 2jf0 h PHE 483 Cb -0.04 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.37 2jf0 h PHE 483 CO -0.06 0.49 -0.06 0.00 -2.23 0.00 0.00 178.31 176.45 2jf0 h ALA 484 N 1.54 0.48 -0.56 2.41 0.00 0.19 0.12 119.26 123.43 2jf0 h ALA 484 Ca 0.39 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 2jf0 h ALA 484 Cb 0.29 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2jf0 h ALA 484 CO -0.15 0.31 -0.09 0.00 0.00 0.00 0.00 179.25 179.32 2jf0 h ARG 485 N 0.46 1.05 0.00 0.00 3.08 -0.10 -3.39 114.38 115.48 2jf0 h ARG 485 Ca 0.09 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 59.76 2jf0 h ARG 485 Cb 0.55 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.53 2jf0 h ARG 485 CO 0.03 1.08 -0.31 0.25 -1.07 0.00 0.00 179.97 179.95 2jf0 n THR 486 N -4.15 0.00 -0.94 2.04 -2.24 0.02 -4.98 114.28 104.03 2jf0 n THR 486 Ca 0.02 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2jf0 n THR 486 Cb 0.40 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 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 1.13 0.50 2.69 3.38 0.00 0.40 -5.02 105.19 108.27 2jf0 n GLY 487 Ca 0.00 -0.28 -0.22 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.25 1.56 0.56 1.61 -1.08 -1.25 -4.86 116.67 110.97 2jf0 s ASP 488 Ca 0.00 -0.13 0.35 0.00 -0.52 0.00 0.00 52.55 52.24 2jf0 s ASP 488 Cb 0.00 -0.26 1.55 0.00 -1.46 0.00 0.00 42.92 42.74 2jf0 s ASP 488 CO 0.00 -0.26 2.05 1.55 0.52 0.00 0.00 175.17 179.04 2jf0 h PRO 489 N 8.39 0.00 -6.77 4.34 0.13 -1.82 -2.62 132.00 133.66 2jf0 h PRO 489 Ca -0.15 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.46 2jf0 h PRO 489 Cb 1.13 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.31 2jf0 h PRO 489 CO 0.21 0.03 0.67 -0.80 -0.23 0.00 0.00 178.00 177.88 2jf0 s ASN 490 N -5.66 6.80 -0.20 1.44 0.01 -1.26 -4.13 114.94 111.94 2jf0 s ASN 490 Ca -0.00 2.57 -0.29 0.00 -0.71 0.00 0.00 52.86 54.43 2jf0 s ASN 490 Cb 0.10 -2.63 -0.04 0.00 0.41 0.00 0.00 41.25 39.09 2jf0 s ASN 490 CO 0.53 -0.56 1.91 -0.62 -1.51 0.00 0.00 177.10 176.85 2jf0 s ASP 491 N 0.03 5.97 0.41 -1.22 2.15 -1.26 -4.87 116.67 117.88 2jf0 s ASP 491 Ca 0.54 1.81 0.22 0.00 0.43 0.00 0.00 52.55 55.55 2jf0 s ASP 491 Cb -0.39 -2.52 0.81 0.00 -0.30 0.00 0.00 42.92 40.51 2jf0 s ASP 491 CO 0.45 -1.56 1.78 1.55 -0.17 0.00 0.00 175.17 177.22 2jf0 h PRO 492 N 12.63 0.00 0.00 4.34 0.13 -1.93 -3.36 132.00 143.81 2jf0 h PRO 492 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2jf0 h PRO 492 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2jf0 h PRO 492 CO 0.98 0.28 0.00 0.54 -0.23 0.00 0.00 178.00 179.58 2jf0 n ARG 493 N -3.44 0.00 -1.62 0.86 3.00 -1.26 -4.70 116.66 109.50 2jf0 n ARG 493 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.85 57.41 2jf0 n ARG 493 Cb 0.47 -0.54 -0.03 0.00 0.00 0.00 0.00 32.46 32.35 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 -1.48 5.67 0.00 0.55 2.15 -1.26 -4.81 116.67 117.49 2jf0 s ASP 494 Ca 0.00 2.07 0.04 0.00 0.43 0.00 0.00 52.55 55.10 2jf0 s ASP 494 Cb 0.00 -2.51 0.02 0.00 -0.30 0.00 0.00 42.92 40.12 2jf0 s ASP 494 CO 0.00 -1.76 0.53 -1.54 -0.17 0.00 0.00 175.17 172.23 2jf0 n SER 495 N 10.78 1.10 0.05 -0.34 3.41 -1.26 -4.51 113.62 122.85 2jf0 n SER 495 Ca 0.28 -1.05 -0.11 0.00 -0.26 0.00 0.00 58.87 57.73 2jf0 n SER 495 Cb 0.44 0.24 -0.04 0.00 -0.26 0.00 0.00 64.21 64.58 2jf0 n SER 495 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2jf0 h LYS 496 N 0.67 -0.28 -6.26 4.33 6.56 -1.95 -3.44 116.57 116.20 2jf0 h LYS 496 Ca 0.00 0.02 -0.63 0.00 -1.06 0.00 0.00 60.65 58.98 2jf0 h LYS 496 Cb 0.17 0.06 0.12 0.00 -0.57 0.00 0.00 32.23 32.01 2jf0 h LYS 496 CO 0.00 -0.19 -0.25 0.43 -2.06 0.00 0.00 179.45 177.38 2jf0 n SER 497 N -5.32 -0.21 -4.76 0.86 7.64 -1.26 -4.91 113.62 105.66 2jf0 n SER 497 Ca -0.05 1.09 -0.39 0.00 1.01 0.00 0.00 58.87 60.54 2jf0 n SER 497 Cb 0.23 -1.12 0.02 0.00 -1.01 0.00 0.00 64.21 62.33 2jf0 n SER 497 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 2jf0 s PRO 498 N -1.36 3.54 0.36 1.43 0.02 -1.26 -4.97 135.00 132.76 2jf0 s PRO 498 Ca 0.61 2.16 -0.24 0.00 0.02 0.00 0.00 61.00 63.55 2jf0 s PRO 498 Cb -0.75 -2.47 -0.10 0.00 0.02 0.00 0.00 34.50 31.20 2jf0 s PRO 498 CO 0.58 -0.85 0.95 -0.65 -0.33 0.00 0.00 177.00 176.70 2jf0 s GLN 499 N -2.64 4.46 -0.49 5.54 -1.52 -1.26 -4.84 119.66 118.91 2jf0 s GLN 499 Ca 0.65 1.26 -0.18 0.00 -1.95 0.00 0.00 55.36 55.14 2jf0 s GLN 499 Cb -0.38 -2.59 0.06 0.00 -0.22 0.00 0.00 33.01 29.87 2jf0 s GLN 499 CO 0.47 0.17 0.55 -0.46 -0.25 0.00 0.00 175.29 175.77 2jf0 s TRP 500 N -1.80 3.11 0.38 0.91 -0.11 -1.26 -4.88 118.94 115.29 2jf0 s TRP 500 Ca 0.54 -0.61 -0.23 0.00 1.22 0.00 0.00 56.10 57.01 2jf0 s TRP 500 Cb -0.16 -3.39 -0.10 0.00 -1.50 0.00 0.00 33.47 28.32 2jf0 s TRP 500 CO 0.20 -0.94 0.96 -1.25 -4.62 0.00 0.00 176.95 171.30 2jf0 s PRO 501 N 2.35 4.37 0.70 5.86 0.04 -1.26 -4.84 135.00 142.22 2jf0 s PRO 501 Ca 0.12 1.25 -0.17 0.00 0.04 0.00 0.00 61.00 62.25 2jf0 s PRO 501 Cb -0.20 -2.48 -0.09 0.00 0.04 0.00 0.00 34.50 31.76 2jf0 s PRO 501 CO 0.11 0.09 0.09 -2.30 0.04 0.00 0.00 177.00 175.03 2jf0 n PRO 502 N -0.07 0.15 -3.30 0.56 -0.02 -1.26 -4.67 135.00 126.40 2jf0 n PRO 502 Ca 0.05 0.07 -0.38 0.00 -2.02 0.00 0.00 63.50 61.22 2jf0 n PRO 502 Cb 0.52 -1.43 -0.06 0.00 -0.02 0.00 0.00 33.50 32.51 2jf0 n PRO 502 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2jf0 s TYR 503 N -1.95 3.58 0.11 6.00 6.14 0.53 -4.43 117.35 127.33 2jf0 s TYR 503 Ca 0.58 1.00 0.05 0.00 0.64 0.00 0.00 57.07 59.34 2jf0 s TYR 503 Cb -0.37 -2.55 -0.04 0.00 0.42 0.00 0.00 41.96 39.43 2jf0 s TYR 503 CO 0.65 0.27 -0.12 0.95 0.64 0.00 0.00 175.55 177.93 2jf0 s THR 504 N 0.22 1.15 0.23 4.34 -4.23 -1.26 -4.30 115.64 111.80 2jf0 s THR 504 Ca 0.28 -1.65 -0.08 0.00 -1.18 0.00 0.00 61.69 59.06 2jf0 s THR 504 Cb -0.16 -1.42 0.22 0.00 1.34 0.00 0.00 72.50 72.47 2jf0 s THR 504 CO 0.13 -0.46 1.90 0.71 -0.54 0.00 0.00 174.62 176.36 2jf0 h THR 505 N 3.60 1.24 0.16 3.99 1.35 -1.90 0.91 112.91 122.25 2jf0 h THR 505 Ca -0.39 -0.44 -0.01 0.00 -0.55 0.00 0.00 66.41 65.02 2jf0 h THR 505 Cb 1.19 -0.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.53 2jf0 h THR 505 CO 0.51 0.23 -0.08 0.00 -0.25 0.00 0.00 175.52 175.93 2jf0 h ALA 506 N 1.32 -0.21 0.00 6.62 0.00 -2.00 -3.36 119.26 121.64 2jf0 h ALA 506 Ca 0.33 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.98 2jf0 h ALA 506 Cb -0.13 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2jf0 h ALA 506 CO -0.07 -0.58 -2.18 0.00 0.00 0.00 0.00 179.25 176.43 2jf0 n ALA 507 N -2.23 2.16 -4.08 0.00 0.00 -1.11 -4.99 120.51 110.25 2jf0 n ALA 507 Ca -0.09 -0.91 -0.33 0.00 0.00 0.00 0.00 53.44 52.11 2jf0 n ALA 507 Cb 0.14 -0.46 -0.00 0.00 0.00 0.00 0.00 19.45 19.13 2jf0 n ALA 507 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2jf0 n GLN 508 N -2.49 -4.15 -2.67 0.00 6.02 0.31 -4.20 117.38 110.20 2jf0 n GLN 508 Ca -0.18 0.47 -0.41 0.00 -0.01 0.00 0.00 57.00 56.87 2jf0 n GLN 508 Cb 0.85 -5.23 -0.05 0.00 1.02 0.00 0.00 30.24 26.84 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 -6.77 4.73 0.14 -1.09 -0.21 -1.26 0.12 119.66 115.31 2jf0 s GLN 509 Ca 0.66 1.55 -0.11 0.00 0.02 0.00 0.00 55.36 57.49 2jf0 s GLN 509 Cb -0.35 -3.30 0.00 0.00 1.00 0.00 0.00 33.01 30.36 2jf0 s GLN 509 CO 0.89 0.30 0.29 1.52 -2.12 0.00 0.00 175.29 176.17 2jf0 s TYR 510 N -0.60 0.17 0.10 0.91 1.13 0.61 -3.75 117.35 115.92 2jf0 s TYR 510 Ca 0.45 -0.55 0.07 0.00 -1.41 0.00 0.00 57.07 55.63 2jf0 s TYR 510 Cb -0.26 0.04 -0.04 0.00 -1.10 0.00 0.00 41.96 40.59 2jf0 s TYR 510 CO 0.33 -0.68 -0.10 0.14 -2.51 0.00 0.00 175.55 172.73 2jf0 s VAL 511 N -3.90 3.39 0.17 -3.49 -7.23 -0.74 -0.05 120.40 108.54 2jf0 s VAL 511 Ca 0.10 -1.25 -0.30 0.00 -1.81 0.00 0.00 61.98 58.72 2jf0 s VAL 511 Cb 0.03 -2.58 -0.07 0.00 0.56 0.00 0.00 36.38 34.32 2jf0 s VAL 511 CO -0.06 0.12 0.95 -0.94 -0.31 0.00 0.00 175.10 174.86 2jf0 s SER 512 N -2.18 7.56 -0.38 4.85 1.04 0.02 -1.02 113.70 123.60 2jf0 s SER 512 Ca 0.21 1.86 -0.02 0.00 0.48 0.00 0.00 55.95 58.48 2jf0 s SER 512 Cb -0.11 -2.60 0.10 0.00 0.10 0.00 0.00 66.02 63.51 2jf0 s SER 512 CO 0.14 0.04 0.15 -0.76 0.98 0.00 0.00 173.24 173.78 2jf0 s LEU 513 N -0.53 4.96 0.00 2.42 1.43 0.49 -4.04 118.68 123.41 2jf0 s LEU 513 Ca 0.44 -1.92 0.00 0.00 -1.03 0.00 0.00 54.13 51.62 2jf0 s LEU 513 Cb -0.24 -1.78 -0.00 0.00 0.03 0.00 0.00 46.19 44.19 2jf0 s LEU 513 CO 0.31 -0.47 0.00 -0.46 0.23 0.00 0.00 176.35 175.96 2jf0 n ASN 514 N 4.55 -0.01 0.22 2.29 0.23 -1.26 0.20 115.26 121.48 2jf0 n ASN 514 Ca -0.03 -1.01 0.07 0.00 -0.53 0.00 0.00 54.58 53.08 2jf0 n ASN 514 Cb 0.42 0.01 0.52 0.00 -2.08 0.00 0.00 39.78 38.65 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 0.00-10.23 -4.53 3.38 -1.94 -3.43 115.31 98.56 2jf0 h LEU 515 Ca -0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.46 2jf0 h LEU 515 Cb 0.01 0.00 0.09 0.00 0.09 0.00 0.00 40.66 40.85 2jf0 h LEU 515 CO 0.00 0.24 0.37 -0.54 0.09 0.00 0.00 178.44 178.60 2jf0 s LYS 516 N -4.25 2.93 0.67 1.13 1.02 -1.26 -4.99 119.74 114.98 2jf0 s LYS 516 Ca -0.03 1.24 -0.17 0.00 0.02 0.00 0.00 55.97 57.04 2jf0 s LYS 516 Cb 0.14 -1.98 -0.02 0.00 -0.52 0.00 0.00 37.83 35.45 2jf0 s LYS 516 CO 0.67 -1.13 0.94 -2.30 -0.92 0.00 0.00 175.35 172.61 2jf0 n PRO 517 N -2.51 0.68 -1.35 -1.68 -0.02 -1.26 -4.80 135.00 124.06 2jf0 n PRO 517 Ca 0.09 0.28 -0.61 0.00 -2.02 0.00 0.00 63.50 61.24 2jf0 n PRO 517 Cb 0.53 -2.18 -0.11 0.00 -0.02 0.00 0.00 33.50 31.71 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 -1.19 0.91 -4.60 2.45 4.77 -1.26 -4.94 117.00 113.15 2jf0 n LEU 518 Ca 0.13 0.76 -0.35 0.00 -0.03 0.00 0.00 56.01 56.52 2jf0 n LEU 518 Cb 0.49 -0.92 -0.10 0.00 -2.33 0.00 0.00 43.42 40.56 2jf0 n LEU 518 CO 0.49 -0.77 -0.24 -0.70 -1.33 0.00 0.00 177.39 174.83 2jf0 s GLU 519 N 5.49 3.92 0.01 3.23 2.12 -1.26 -4.76 118.70 127.45 2jf0 s GLU 519 Ca 1.17 -0.36 -0.24 0.00 0.36 0.00 0.00 54.97 55.90 2jf0 s GLU 519 Cb -1.46 -3.29 -0.05 0.00 0.26 0.00 0.00 34.13 29.58 2jf0 s GLU 519 CO 0.68 0.13 0.73 0.08 -0.54 0.00 0.00 175.26 176.34 2jf0 s VAL 520 N 0.77 4.85 0.13 3.70 1.01 -1.26 -0.80 120.40 128.80 2jf0 s VAL 520 Ca 0.04 1.53 0.07 0.00 0.00 0.00 0.00 61.98 63.63 2jf0 s VAL 520 Cb -0.13 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 2jf0 s VAL 520 CO 0.02 0.34 -0.16 -0.13 0.00 0.00 0.00 175.10 175.16 2jf0 s ARG 521 N 0.18 1.13 -0.07 2.72 0.52 0.92 -4.97 118.95 119.38 2jf0 s ARG 521 Ca 0.37 -1.29 0.04 0.00 -0.52 0.00 0.00 55.73 54.34 2jf0 s ARG 521 Cb -0.19 -1.12 -0.02 0.00 0.52 0.00 0.00 34.95 34.13 2jf0 s ARG 521 CO 0.21 0.23 -0.18 1.03 0.02 0.00 0.00 175.30 176.61 2jf0 s ARG 522 N -2.60 2.68 -0.00 3.54 0.52 -1.26 -0.29 118.95 121.54 2jf0 s ARG 522 Ca 0.11 -0.77 -0.00 0.00 -0.52 0.00 0.00 55.73 54.54 2jf0 s ARG 522 Cb -0.06 -2.34 0.00 0.00 0.52 0.00 0.00 34.95 33.07 2jf0 s ARG 522 CO 0.05 0.46 0.00 0.41 0.02 0.00 0.00 175.30 176.24 2jf0 n GLY 523 N 2.77 -3.12 3.51 -3.53 0.00 0.31 -4.88 105.19 100.25 2jf0 n GLY 523 Ca -0.17 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.06 3.74 -1.56 0.99 2.96 -1.26 -4.01 118.68 119.48 2jf0 s LEU 524 Ca -0.00 -0.80 -0.03 0.00 -0.22 0.00 0.00 54.13 53.08 2jf0 s LEU 524 Cb 0.00 -2.50 0.03 0.00 0.50 0.00 0.00 46.19 44.22 2jf0 s LEU 524 CO 0.01 -1.63 0.20 0.54 -1.32 0.00 0.00 176.35 174.15 2jf0 n ARG 525 N 8.58 -1.60 -0.18 1.98 5.12 -1.26 -4.71 116.66 124.58 2jf0 n ARG 525 Ca 0.03 0.19 -0.02 0.00 -1.93 0.00 0.00 57.85 56.12 2jf0 n ARG 525 Cb 0.48 -4.00 0.08 0.00 -1.16 0.00 0.00 32.46 27.86 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 0.82 0.71 0.90 7.54 0.00 -1.92 0.33 119.26 127.63 2jf0 h ALA 526 Ca -0.64 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.28 2jf0 h ALA 526 Cb 1.39 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.19 2jf0 h ALA 526 CO 0.71 -0.15 -0.43 1.96 0.00 0.00 0.00 179.25 181.34 2jf0 h GLN 527 N 0.44 -1.16 -0.97 0.00 1.08 -1.94 -1.47 115.11 111.08 2jf0 h GLN 527 Ca 0.26 0.08 0.06 0.00 -1.45 0.00 0.00 58.65 57.60 2jf0 h GLN 527 Cb 0.26 0.26 -0.06 0.00 -0.05 0.00 0.00 27.48 27.89 2jf0 h GLN 527 CO -0.24 -0.77 0.63 1.15 -0.95 0.00 0.00 178.83 178.65 2jf0 h THR 528 N -1.27 1.11 0.00 -0.54 2.02 -1.91 -1.84 112.91 110.48 2jf0 h THR 528 Ca -0.12 -0.40 -0.11 0.00 0.77 0.00 0.00 66.41 66.55 2jf0 h THR 528 Cb 0.92 -0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 2jf0 h THR 528 CO 0.20 0.21 -0.54 0.00 0.37 0.00 0.00 175.52 175.77 2jf0 h ALA 530 N 1.46 1.60 0.06 0.00 0.00 -0.42 0.65 119.26 122.61 2jf0 h ALA 530 Ca -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jf0 h ALA 530 Cb 0.97 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2jf0 h ALA 530 CO 0.07 0.19 -0.03 0.35 0.00 0.00 0.00 179.25 179.83 2jf0 h PHE 531 N 0.93 -0.08 -0.10 0.00 3.57 -0.45 -0.53 116.94 120.29 2jf0 h PHE 531 Ca 0.45 -0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.73 2jf0 h PHE 531 Cb 0.45 0.02 0.01 0.00 2.79 0.00 0.00 35.95 39.22 2jf0 h PHE 531 CO -0.00 0.08 -0.81 -1.49 -2.23 0.00 0.00 178.31 173.85 2jf0 h TRP 532 N -0.21 0.86 0.01 0.41 4.06 -0.83 0.44 115.95 120.69 2jf0 h TRP 532 Ca -0.01 -0.40 -0.30 0.00 2.06 0.00 0.00 58.89 60.25 2jf0 h TRP 532 Cb 0.18 -0.13 -0.05 0.00 -1.00 0.00 0.00 29.16 28.17 2jf0 h TRP 532 CO -0.03 1.21 -1.72 0.09 -3.56 0.00 0.00 178.44 174.42 2jf0 n ASN 533 N -3.88 1.01 -0.07 -3.49 3.02 0.22 -4.15 115.26 107.93 2jf0 n ASN 533 Ca -0.07 0.40 -0.15 0.00 -0.03 0.00 0.00 54.58 54.74 2jf0 n ASN 533 Cb 0.76 -0.16 -0.05 0.00 -0.61 0.00 0.00 39.78 39.72 2jf0 n ASN 533 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2jf0 n ARG 534 N -3.09 0.34 -0.03 3.52 1.74 -0.35 -4.72 116.66 114.07 2jf0 n ARG 534 Ca -0.18 0.15 -0.15 0.00 -0.77 0.00 0.00 57.85 56.90 2jf0 n ARG 534 Cb 1.05 -1.08 -0.12 0.00 -1.02 0.00 0.00 32.46 31.30 2jf0 n ARG 534 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2jf0 h PHE 535 N -0.59 0.18 -0.60 -1.55 3.57 -0.83 -3.29 116.94 113.83 2jf0 h PHE 535 Ca -0.32 -0.10 0.01 0.00 3.53 0.00 0.00 57.97 61.09 2jf0 h PHE 535 Cb 1.18 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.87 2jf0 h PHE 535 CO -0.10 0.93 0.40 1.25 -2.23 0.00 0.00 178.31 178.56 2jf0 h LEU 536 N -0.63 0.68 -0.48 0.59 7.12 -0.29 -1.23 115.31 121.08 2jf0 h LEU 536 Ca -0.03 -0.02 0.09 0.00 0.13 0.00 0.00 57.88 58.06 2jf0 h LEU 536 Cb 0.99 -0.17 -0.08 0.00 -0.53 0.00 0.00 40.66 40.87 2jf0 h LEU 536 CO 0.04 0.49 -0.04 -0.65 -0.13 0.00 0.00 178.44 178.15 2jf0 h PRO 537 N 0.81 0.07 -0.94 5.25 0.11 -1.72 -1.50 132.00 134.07 2jf0 h PRO 537 Ca 0.22 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.37 2jf0 h PRO 537 Cb -0.08 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 30.96 2jf0 h PRO 537 CO -0.05 0.05 0.61 0.87 -0.21 0.00 0.00 178.00 179.26 2jf0 h LYS 538 N 0.07 1.15 0.00 1.05 1.57 -1.39 0.19 116.57 119.21 2jf0 h LYS 538 Ca 0.24 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2jf0 h LYS 538 Cb 0.36 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2jf0 h LYS 538 CO -0.44 0.76 0.00 -0.11 -0.57 0.00 0.00 179.45 179.09 2jf0 n LEU 539 N -4.49 0.58 0.05 2.94 7.94 -0.55 -0.80 117.00 122.67 2jf0 n LEU 539 Ca 0.12 0.73 0.05 0.00 -1.11 0.00 0.00 56.01 55.80 2jf0 n LEU 539 Cb 0.10 -0.75 -0.06 0.00 0.53 0.00 0.00 43.42 43.23 2jf0 n LEU 539 CO 0.34 -0.83 -0.24 0.18 -1.11 0.00 0.00 177.39 175.74 2jf0 n LEU 540 N -2.23 0.76 -3.31 -1.96 4.32 0.63 -4.27 117.00 110.94 2jf0 n LEU 540 Ca -0.00 0.32 -0.37 0.00 -0.02 0.00 0.00 56.01 55.94 2jf0 n LEU 540 Cb 0.09 0.03 -0.03 0.00 -1.62 0.00 0.00 43.42 41.89 2jf0 n LEU 540 CO 0.12 0.02 3.23 -1.20 -1.22 0.00 0.00 177.39 178.34 2jf0 n SER 541 N -2.76 7.96 0.00 -1.43 7.64 0.02 -5.12 113.62 119.93 2jf0 n SER 541 Ca -0.06 -2.55 0.00 0.00 1.01 0.00 0.00 58.87 57.27 2jf0 n SER 541 Cb 0.72 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 2jf0 n SER 541 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03